USER MOD reduce.3.24.130724 H: found=0, std=0, add=1489, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1489 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 189 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 190 LYS NZ :NH3+ 171:sc= -1.38 (180deg=-1.76) USER MOD Set 2.1: A 16 SER OG : rot -110:sc= -2.5! USER MOD Set 2.2: A 153 GLN : amide:sc= -2.47! K(o=-5!,f=-2.3) USER MOD Set 3.1: A 104 ASN : amide:sc= -5.02! C(o=-7.4!,f=-9.5!) USER MOD Set 3.2: A 106 ASN : amide:sc= -2.39 K(o=-7.4,f=-5.7!) USER MOD Set 4.1: A 79 MET CE :methyl -172:sc= -0.0431 (180deg=-0.151) USER MOD Set 4.2: A 186 THR OG1 : rot 71:sc= 0.384 USER MOD Set 5.1: A 28 GLN : amide:sc= -4.33! C(o=-4.4!,f=-6.1!) USER MOD Set 5.2: A 137 MET CE :methyl 178:sc= -0.0795 (180deg=-0.0831) USER MOD Set 6.1: A 18 GLN : amide:sc= -3.33! C(o=-2.9!,f=-1.4!) USER MOD Set 6.2: A 22 THR OG1 : rot 71:sc= 0.378 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.084 (180deg=-0.867) USER MOD Single : A 4 SER OG : rot -64:sc= 0.871 USER MOD Single : A 7 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.22) USER MOD Single : A 14 THR OG1 : rot 63:sc= 0.987 USER MOD Single : A 15 SER OG : rot 180:sc= 0.662 USER MOD Single : A 20 MET CE :methyl -158:sc= -0.851 (180deg=-2.3!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc=-0.00172 X(o=-0.0017,f=-0.21) USER MOD Single : A 38 MET CE :methyl 148:sc= -0.312 (180deg=-1.5!) USER MOD Single : A 52 GLN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -160:sc= -0.321 (180deg=-0.823) USER MOD Single : A 60 SER OG : rot -65:sc= 0.646 USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -114:sc= 0.77 (180deg=-1.22!) USER MOD Single : A 72 SER OG : rot -14:sc= 0.975 USER MOD Single : A 73 ASN : amide:sc= -11.1! K(o=-11!,f=0.64) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -160:sc= -1.19 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -59:sc= 0.351! USER MOD Single : A 115 TYR OH : rot 13:sc= 1.12 USER MOD Single : A 118 SER OG : rot -53:sc= 0.883 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 LYS NZ :NH3+ -161:sc= -0.025 (180deg=-0.457) USER MOD Single : A 126 CYS SG : rot 180:sc= 0.00442 USER MOD Single : A 127 THR OG1 : rot 32:sc= 0.496 USER MOD Single : A 128 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.152) USER MOD Single : A 135 THR OG1 : rot 86:sc= 0.957 USER MOD Single : A 140 THR OG1 : rot 93:sc= 1.01 USER MOD Single : A 155 GLN : amide:sc= -0.938 K(o=-0.94,f=0) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD Single : A 167 THR OG1 : rot 180:sc= -1.89! USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 THR OG1 : rot 79:sc= 1.16 USER MOD Single : A 182 THR OG1 : rot 83:sc= 0.977 USER MOD Single : A 184 SER OG : rot -110:sc= -0.419 USER MOD Single : A 191 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.472 12.342 -8.400 1.00 17.15 N ATOM 2 CA MET A 1 33.606 11.565 -9.664 1.00 16.73 C ATOM 3 C MET A 1 32.651 10.369 -9.626 1.00 16.39 C ATOM 4 O MET A 1 31.466 10.518 -9.406 1.00 16.40 O ATOM 5 CB MET A 1 35.048 11.069 -9.806 1.00 16.98 C ATOM 6 CG MET A 1 36.001 12.266 -9.797 1.00 17.51 C ATOM 7 SD MET A 1 37.709 11.678 -9.921 1.00 17.69 S ATOM 8 CE MET A 1 37.823 11.689 -11.727 1.00 17.86 C ATOM 0 H1 MET A 1 33.838 13.305 -8.544 1.00 17.15 H new ATOM 0 H2 MET A 1 32.470 12.390 -8.127 1.00 17.15 H new ATOM 0 H3 MET A 1 34.014 11.874 -7.646 1.00 17.15 H new ATOM 0 HA MET A 1 33.358 12.200 -10.514 1.00 16.73 H new ATOM 0 HB2 MET A 1 35.292 10.390 -8.990 1.00 16.98 H new ATOM 0 HB3 MET A 1 35.161 10.507 -10.733 1.00 16.98 H new ATOM 0 HG2 MET A 1 35.773 12.932 -10.629 1.00 17.51 H new ATOM 0 HG3 MET A 1 35.869 12.843 -8.882 1.00 17.51 H new ATOM 0 HE1 MET A 1 38.815 11.354 -12.031 1.00 17.86 H new ATOM 0 HE2 MET A 1 37.070 11.019 -12.143 1.00 17.86 H new ATOM 0 HE3 MET A 1 37.653 12.700 -12.096 1.00 17.86 H new ATOM 20 N ASP A 2 33.156 9.184 -9.835 1.00 16.24 N ATOM 21 CA ASP A 2 32.272 7.986 -9.804 1.00 16.07 C ATOM 22 C ASP A 2 31.782 7.760 -8.370 1.00 15.50 C ATOM 23 O ASP A 2 30.733 8.232 -7.979 1.00 15.56 O ATOM 24 CB ASP A 2 33.057 6.761 -10.284 1.00 16.42 C ATOM 25 CG ASP A 2 33.557 7.001 -11.710 1.00 16.67 C ATOM 26 OD1 ASP A 2 34.040 8.091 -11.972 1.00 16.77 O ATOM 27 OD2 ASP A 2 33.449 6.092 -12.516 1.00 16.88 O ATOM 0 H ASP A 2 34.140 8.994 -10.025 1.00 16.24 H new ATOM 0 HA ASP A 2 31.415 8.141 -10.460 1.00 16.07 H new ATOM 0 HB2 ASP A 2 33.900 6.572 -9.619 1.00 16.42 H new ATOM 0 HB3 ASP A 2 32.423 5.875 -10.254 1.00 16.42 H new ATOM 32 N GLY A 3 32.534 7.036 -7.586 1.00 15.11 N ATOM 33 CA GLY A 3 32.117 6.771 -6.180 1.00 14.72 C ATOM 34 C GLY A 3 31.686 8.078 -5.507 1.00 14.60 C ATOM 35 O GLY A 3 32.265 9.123 -5.728 1.00 14.88 O ATOM 0 H GLY A 3 33.422 6.615 -7.860 1.00 15.11 H new ATOM 0 HA2 GLY A 3 31.295 6.056 -6.164 1.00 14.72 H new ATOM 0 HA3 GLY A 3 32.941 6.321 -5.626 1.00 14.72 H new ATOM 39 N SER A 4 30.673 8.023 -4.685 1.00 14.34 N ATOM 40 CA SER A 4 30.200 9.256 -3.992 1.00 14.41 C ATOM 41 C SER A 4 29.834 10.319 -5.029 1.00 13.79 C ATOM 42 O SER A 4 29.996 11.502 -4.804 1.00 14.02 O ATOM 43 CB SER A 4 31.310 9.790 -3.084 1.00 14.82 C ATOM 44 OG SER A 4 32.199 10.592 -3.851 1.00 14.88 O ATOM 0 H SER A 4 30.151 7.175 -4.463 1.00 14.34 H new ATOM 0 HA SER A 4 29.322 9.019 -3.391 1.00 14.41 H new ATOM 0 HB2 SER A 4 30.881 10.377 -2.272 1.00 14.82 H new ATOM 0 HB3 SER A 4 31.852 8.962 -2.627 1.00 14.82 H new ATOM 0 HG SER A 4 32.647 10.035 -4.521 1.00 14.88 H new ATOM 50 N GLY A 5 29.339 9.908 -6.164 1.00 13.15 N ATOM 51 CA GLY A 5 28.962 10.897 -7.213 1.00 12.67 C ATOM 52 C GLY A 5 27.738 11.686 -6.754 1.00 12.31 C ATOM 53 O GLY A 5 27.375 12.687 -7.341 1.00 12.37 O ATOM 0 H GLY A 5 29.179 8.931 -6.410 1.00 13.15 H new ATOM 0 HA2 GLY A 5 29.794 11.575 -7.404 1.00 12.67 H new ATOM 0 HA3 GLY A 5 28.747 10.384 -8.150 1.00 12.67 H new ATOM 57 N GLU A 6 27.100 11.248 -5.706 1.00 12.14 N ATOM 58 CA GLU A 6 25.903 11.975 -5.207 1.00 12.01 C ATOM 59 C GLU A 6 25.518 11.432 -3.828 1.00 11.53 C ATOM 60 O GLU A 6 25.295 12.178 -2.896 1.00 11.57 O ATOM 61 CB GLU A 6 24.743 11.773 -6.193 1.00 12.39 C ATOM 62 CG GLU A 6 23.715 12.894 -6.020 1.00 12.94 C ATOM 63 CD GLU A 6 24.264 14.188 -6.624 1.00 13.31 C ATOM 64 OE1 GLU A 6 24.655 14.161 -7.779 1.00 13.50 O ATOM 65 OE2 GLU A 6 24.286 15.185 -5.920 1.00 13.55 O ATOM 0 H GLU A 6 27.357 10.417 -5.173 1.00 12.14 H new ATOM 0 HA GLU A 6 26.123 13.039 -5.123 1.00 12.01 H new ATOM 0 HB2 GLU A 6 25.120 11.767 -7.216 1.00 12.39 H new ATOM 0 HB3 GLU A 6 24.272 10.805 -6.021 1.00 12.39 H new ATOM 0 HG2 GLU A 6 22.779 12.622 -6.507 1.00 12.94 H new ATOM 0 HG3 GLU A 6 23.494 13.039 -4.963 1.00 12.94 H new ATOM 72 N GLN A 7 25.438 10.136 -3.692 1.00 11.25 N ATOM 73 CA GLN A 7 25.066 9.547 -2.373 1.00 10.97 C ATOM 74 C GLN A 7 26.289 9.605 -1.432 1.00 10.29 C ATOM 75 O GLN A 7 27.408 9.574 -1.904 1.00 10.41 O ATOM 76 CB GLN A 7 24.645 8.084 -2.582 1.00 11.52 C ATOM 77 CG GLN A 7 23.195 8.026 -3.073 1.00 12.08 C ATOM 78 CD GLN A 7 22.254 8.379 -1.920 1.00 12.56 C ATOM 79 OE1 GLN A 7 22.031 7.577 -1.035 1.00 12.91 O ATOM 80 NE2 GLN A 7 21.688 9.554 -1.893 1.00 12.77 N ATOM 0 H GLN A 7 25.614 9.460 -4.436 1.00 11.25 H new ATOM 0 HA GLN A 7 24.241 10.106 -1.931 1.00 10.97 H new ATOM 0 HB2 GLN A 7 25.304 7.607 -3.308 1.00 11.52 H new ATOM 0 HB3 GLN A 7 24.745 7.530 -1.648 1.00 11.52 H new ATOM 0 HG2 GLN A 7 23.051 8.721 -3.900 1.00 12.08 H new ATOM 0 HG3 GLN A 7 22.967 7.029 -3.451 1.00 12.08 H new ATOM 0 HE21 GLN A 7 21.875 10.227 -2.636 1.00 12.77 H new ATOM 0 HE22 GLN A 7 21.058 9.799 -1.129 1.00 12.77 H new ATOM 89 N PRO A 8 26.063 9.678 -0.130 1.00 9.81 N ATOM 90 CA PRO A 8 27.178 9.726 0.838 1.00 9.37 C ATOM 91 C PRO A 8 28.083 8.496 0.663 1.00 9.09 C ATOM 92 O PRO A 8 27.706 7.518 0.047 1.00 9.07 O ATOM 93 CB PRO A 8 26.502 9.731 2.232 1.00 9.20 C ATOM 94 CG PRO A 8 24.963 9.677 2.005 1.00 9.57 C ATOM 95 CD PRO A 8 24.714 9.722 0.481 1.00 9.93 C ATOM 0 HA PRO A 8 27.813 10.601 0.700 1.00 9.37 H new ATOM 0 HB2 PRO A 8 26.833 8.876 2.822 1.00 9.20 H new ATOM 0 HB3 PRO A 8 26.776 10.627 2.788 1.00 9.20 H new ATOM 0 HG2 PRO A 8 24.544 8.767 2.435 1.00 9.57 H new ATOM 0 HG3 PRO A 8 24.473 10.517 2.498 1.00 9.57 H new ATOM 0 HD2 PRO A 8 24.106 8.878 0.156 1.00 9.93 H new ATOM 0 HD3 PRO A 8 24.181 10.629 0.195 1.00 9.93 H new ATOM 103 N ARG A 9 29.272 8.540 1.202 1.00 9.13 N ATOM 104 CA ARG A 9 30.194 7.376 1.069 1.00 9.14 C ATOM 105 C ARG A 9 29.551 6.144 1.708 1.00 8.60 C ATOM 106 O ARG A 9 28.618 6.249 2.479 1.00 8.68 O ATOM 107 CB ARG A 9 31.516 7.687 1.776 1.00 10.09 C ATOM 108 CG ARG A 9 31.233 8.241 3.174 1.00 10.67 C ATOM 109 CD ARG A 9 32.547 8.373 3.947 1.00 11.51 C ATOM 110 NE ARG A 9 32.287 9.015 5.266 1.00 12.05 N ATOM 111 CZ ARG A 9 33.189 8.960 6.209 1.00 12.65 C ATOM 112 NH1 ARG A 9 34.317 8.339 5.997 1.00 12.79 N ATOM 113 NH2 ARG A 9 32.962 9.526 7.363 1.00 13.27 N ATOM 0 H ARG A 9 29.644 9.331 1.728 1.00 9.13 H new ATOM 0 HA ARG A 9 30.385 7.182 0.014 1.00 9.14 H new ATOM 0 HB2 ARG A 9 32.123 6.784 1.848 1.00 10.09 H new ATOM 0 HB3 ARG A 9 32.089 8.411 1.196 1.00 10.09 H new ATOM 0 HG2 ARG A 9 30.744 9.212 3.100 1.00 10.67 H new ATOM 0 HG3 ARG A 9 30.550 7.580 3.707 1.00 10.67 H new ATOM 0 HD2 ARG A 9 32.996 7.390 4.091 1.00 11.51 H new ATOM 0 HD3 ARG A 9 33.259 8.968 3.375 1.00 11.51 H new ATOM 0 HE ARG A 9 31.404 9.498 5.433 1.00 12.05 H new ATOM 0 HH11 ARG A 9 34.494 7.897 5.095 1.00 12.79 H new ATOM 0 HH12 ARG A 9 35.022 8.296 6.733 1.00 12.79 H new ATOM 0 HH21 ARG A 9 32.080 10.011 7.528 1.00 13.27 H new ATOM 0 HH22 ARG A 9 33.666 9.483 8.099 1.00 13.27 H new ATOM 127 N GLY A 10 30.040 4.976 1.393 1.00 8.29 N ATOM 128 CA GLY A 10 29.453 3.739 1.983 1.00 8.00 C ATOM 129 C GLY A 10 28.025 3.557 1.466 1.00 7.45 C ATOM 130 O GLY A 10 27.711 3.906 0.345 1.00 7.68 O ATOM 0 H GLY A 10 30.820 4.824 0.753 1.00 8.29 H new ATOM 0 HA2 GLY A 10 30.060 2.873 1.719 1.00 8.00 H new ATOM 0 HA3 GLY A 10 29.452 3.807 3.071 1.00 8.00 H new ATOM 134 N GLY A 11 27.155 3.014 2.273 1.00 7.01 N ATOM 135 CA GLY A 11 25.748 2.811 1.824 1.00 6.74 C ATOM 136 C GLY A 11 25.723 1.847 0.638 1.00 5.83 C ATOM 137 O GLY A 11 26.571 0.987 0.508 1.00 6.06 O ATOM 0 H GLY A 11 27.357 2.702 3.223 1.00 7.01 H new ATOM 0 HA2 GLY A 11 25.148 2.413 2.642 1.00 6.74 H new ATOM 0 HA3 GLY A 11 25.305 3.765 1.539 1.00 6.74 H new ATOM 141 N GLY A 12 24.755 1.980 -0.230 1.00 5.12 N ATOM 142 CA GLY A 12 24.680 1.064 -1.405 1.00 4.52 C ATOM 143 C GLY A 12 23.251 1.064 -1.971 1.00 3.52 C ATOM 144 O GLY A 12 22.389 1.745 -1.451 1.00 3.54 O ATOM 0 H GLY A 12 24.016 2.681 -0.176 1.00 5.12 H new ATOM 0 HA2 GLY A 12 25.385 1.383 -2.172 1.00 4.52 H new ATOM 0 HA3 GLY A 12 24.965 0.054 -1.110 1.00 4.52 H new ATOM 148 N PRO A 13 23.035 0.298 -3.021 1.00 3.15 N ATOM 149 CA PRO A 13 21.709 0.204 -3.659 1.00 2.77 C ATOM 150 C PRO A 13 20.622 -0.086 -2.615 1.00 2.05 C ATOM 151 O PRO A 13 19.502 0.368 -2.733 1.00 2.37 O ATOM 152 CB PRO A 13 21.843 -0.957 -4.676 1.00 3.47 C ATOM 153 CG PRO A 13 23.357 -1.302 -4.783 1.00 3.99 C ATOM 154 CD PRO A 13 24.083 -0.530 -3.655 1.00 3.79 C ATOM 0 HA PRO A 13 21.414 1.134 -4.144 1.00 2.77 H new ATOM 0 HB2 PRO A 13 21.273 -1.825 -4.346 1.00 3.47 H new ATOM 0 HB3 PRO A 13 21.445 -0.665 -5.648 1.00 3.47 H new ATOM 0 HG2 PRO A 13 23.515 -2.375 -4.678 1.00 3.99 H new ATOM 0 HG3 PRO A 13 23.749 -1.016 -5.759 1.00 3.99 H new ATOM 0 HD2 PRO A 13 24.534 -1.214 -2.936 1.00 3.79 H new ATOM 0 HD3 PRO A 13 24.887 0.089 -4.054 1.00 3.79 H new ATOM 162 N THR A 14 20.941 -0.841 -1.602 1.00 1.59 N ATOM 163 CA THR A 14 19.918 -1.159 -0.561 1.00 1.24 C ATOM 164 C THR A 14 19.791 0.031 0.398 1.00 1.07 C ATOM 165 O THR A 14 19.482 -0.123 1.563 1.00 1.20 O ATOM 166 CB THR A 14 20.321 -2.442 0.209 1.00 1.43 C ATOM 167 OG1 THR A 14 20.693 -2.119 1.542 1.00 2.16 O ATOM 168 CG2 THR A 14 21.503 -3.124 -0.489 1.00 1.78 C ATOM 0 H THR A 14 21.862 -1.252 -1.448 1.00 1.59 H new ATOM 0 HA THR A 14 18.954 -1.339 -1.037 1.00 1.24 H new ATOM 0 HB THR A 14 19.466 -3.117 0.225 1.00 1.43 H new ATOM 0 HG1 THR A 14 19.923 -1.739 2.014 1.00 2.16 H new ATOM 0 HG21 THR A 14 21.779 -4.025 0.059 1.00 1.78 H new ATOM 0 HG22 THR A 14 21.219 -3.392 -1.507 1.00 1.78 H new ATOM 0 HG23 THR A 14 22.352 -2.441 -0.517 1.00 1.78 H new ATOM 176 N SER A 15 20.005 1.224 -0.092 1.00 1.07 N ATOM 177 CA SER A 15 19.878 2.430 0.775 1.00 0.91 C ATOM 178 C SER A 15 18.432 2.542 1.270 1.00 0.75 C ATOM 179 O SER A 15 17.497 2.548 0.495 1.00 0.78 O ATOM 180 CB SER A 15 20.252 3.680 -0.047 1.00 0.99 C ATOM 181 OG SER A 15 19.143 4.570 -0.115 1.00 1.38 O ATOM 0 H SER A 15 20.263 1.414 -1.060 1.00 1.07 H new ATOM 0 HA SER A 15 20.545 2.349 1.633 1.00 0.91 H new ATOM 0 HB2 SER A 15 21.105 4.183 0.409 1.00 0.99 H new ATOM 0 HB3 SER A 15 20.555 3.387 -1.052 1.00 0.99 H new ATOM 0 HG SER A 15 19.390 5.361 -0.638 1.00 1.38 H new ATOM 187 N SER A 16 18.246 2.628 2.557 1.00 0.72 N ATOM 188 CA SER A 16 16.867 2.736 3.111 1.00 0.82 C ATOM 189 C SER A 16 16.169 3.970 2.533 1.00 0.81 C ATOM 190 O SER A 16 14.957 4.033 2.466 1.00 0.92 O ATOM 191 CB SER A 16 16.948 2.870 4.634 1.00 1.06 C ATOM 192 OG SER A 16 17.281 1.609 5.200 1.00 1.64 O ATOM 0 H SER A 16 18.992 2.628 3.252 1.00 0.72 H new ATOM 0 HA SER A 16 16.300 1.844 2.844 1.00 0.82 H new ATOM 0 HB2 SER A 16 17.698 3.613 4.906 1.00 1.06 H new ATOM 0 HB3 SER A 16 15.995 3.219 5.031 1.00 1.06 H new ATOM 0 HG SER A 16 16.506 1.251 5.681 1.00 1.64 H new ATOM 198 N GLU A 17 16.919 4.953 2.119 1.00 0.80 N ATOM 199 CA GLU A 17 16.290 6.181 1.555 1.00 0.94 C ATOM 200 C GLU A 17 15.825 5.920 0.117 1.00 0.85 C ATOM 201 O GLU A 17 14.829 6.451 -0.336 1.00 0.89 O ATOM 202 CB GLU A 17 17.317 7.322 1.558 1.00 1.13 C ATOM 203 CG GLU A 17 16.595 8.669 1.441 1.00 1.71 C ATOM 204 CD GLU A 17 15.948 9.021 2.783 1.00 2.26 C ATOM 205 OE1 GLU A 17 16.028 8.207 3.688 1.00 2.90 O ATOM 206 OE2 GLU A 17 15.383 10.097 2.882 1.00 2.68 O ATOM 0 H GLU A 17 17.939 4.960 2.146 1.00 0.80 H new ATOM 0 HA GLU A 17 15.429 6.455 2.164 1.00 0.94 H new ATOM 0 HB2 GLU A 17 17.905 7.292 2.475 1.00 1.13 H new ATOM 0 HB3 GLU A 17 18.014 7.199 0.729 1.00 1.13 H new ATOM 0 HG2 GLU A 17 17.300 9.447 1.150 1.00 1.71 H new ATOM 0 HG3 GLU A 17 15.835 8.620 0.661 1.00 1.71 H new ATOM 213 N GLN A 18 16.552 5.108 -0.606 1.00 0.80 N ATOM 214 CA GLN A 18 16.169 4.819 -2.016 1.00 0.83 C ATOM 215 C GLN A 18 14.917 3.941 -2.036 1.00 0.68 C ATOM 216 O GLN A 18 14.084 4.051 -2.914 1.00 0.69 O ATOM 217 CB GLN A 18 17.329 4.092 -2.719 1.00 0.96 C ATOM 218 CG GLN A 18 17.257 4.325 -4.232 1.00 1.53 C ATOM 219 CD GLN A 18 15.930 3.791 -4.775 1.00 2.23 C ATOM 220 OE1 GLN A 18 15.661 2.608 -4.700 1.00 2.69 O ATOM 221 NE2 GLN A 18 15.085 4.618 -5.326 1.00 3.07 N ATOM 0 H GLN A 18 17.394 4.634 -0.279 1.00 0.80 H new ATOM 0 HA GLN A 18 15.959 5.752 -2.538 1.00 0.83 H new ATOM 0 HB2 GLN A 18 18.282 4.453 -2.333 1.00 0.96 H new ATOM 0 HB3 GLN A 18 17.282 3.024 -2.505 1.00 0.96 H new ATOM 0 HG2 GLN A 18 17.348 5.389 -4.450 1.00 1.53 H new ATOM 0 HG3 GLN A 18 18.090 3.826 -4.726 1.00 1.53 H new ATOM 0 HE21 GLN A 18 15.310 5.611 -5.389 1.00 3.07 H new ATOM 0 HE22 GLN A 18 14.199 4.272 -5.694 1.00 3.07 H new ATOM 230 N ILE A 19 14.779 3.066 -1.078 1.00 0.59 N ATOM 231 CA ILE A 19 13.581 2.188 -1.059 1.00 0.58 C ATOM 232 C ILE A 19 12.337 3.051 -0.840 1.00 0.52 C ATOM 233 O ILE A 19 11.369 2.951 -1.567 1.00 0.59 O ATOM 234 CB ILE A 19 13.720 1.134 0.050 1.00 0.64 C ATOM 235 CG1 ILE A 19 14.784 0.110 -0.352 1.00 0.74 C ATOM 236 CG2 ILE A 19 12.386 0.416 0.274 1.00 0.73 C ATOM 237 CD1 ILE A 19 15.161 -0.741 0.863 1.00 0.81 C ATOM 0 H ILE A 19 15.440 2.923 -0.314 1.00 0.59 H new ATOM 0 HA ILE A 19 13.487 1.664 -2.010 1.00 0.58 H new ATOM 0 HB ILE A 19 14.014 1.632 0.974 1.00 0.64 H new ATOM 0 HG12 ILE A 19 14.407 -0.527 -1.152 1.00 0.74 H new ATOM 0 HG13 ILE A 19 15.666 0.620 -0.740 1.00 0.74 H new ATOM 0 HG21 ILE A 19 12.501 -0.328 1.063 1.00 0.73 H new ATOM 0 HG22 ILE A 19 11.627 1.141 0.567 1.00 0.73 H new ATOM 0 HG23 ILE A 19 12.079 -0.078 -0.648 1.00 0.73 H new ATOM 0 HD11 ILE A 19 15.919 -1.470 0.576 1.00 0.81 H new ATOM 0 HD12 ILE A 19 15.556 -0.098 1.649 1.00 0.81 H new ATOM 0 HD13 ILE A 19 14.277 -1.262 1.231 1.00 0.81 H new ATOM 249 N MET A 20 12.338 3.875 0.175 1.00 0.51 N ATOM 250 CA MET A 20 11.120 4.698 0.429 1.00 0.60 C ATOM 251 C MET A 20 10.795 5.505 -0.835 1.00 0.55 C ATOM 252 O MET A 20 9.649 5.798 -1.113 1.00 0.59 O ATOM 253 CB MET A 20 11.315 5.639 1.617 1.00 0.82 C ATOM 254 CG MET A 20 11.535 4.861 2.921 1.00 1.07 C ATOM 255 SD MET A 20 10.110 3.807 3.298 1.00 1.43 S ATOM 256 CE MET A 20 8.829 5.084 3.255 1.00 0.93 C ATOM 0 H MET A 20 13.111 4.012 0.826 1.00 0.51 H new ATOM 0 HA MET A 20 10.293 4.032 0.674 1.00 0.60 H new ATOM 0 HB2 MET A 20 12.170 6.289 1.431 1.00 0.82 H new ATOM 0 HB3 MET A 20 10.442 6.283 1.719 1.00 0.82 H new ATOM 0 HG2 MET A 20 12.432 4.248 2.836 1.00 1.07 H new ATOM 0 HG3 MET A 20 11.702 5.559 3.741 1.00 1.07 H new ATOM 0 HE1 MET A 20 7.963 4.750 3.826 1.00 0.93 H new ATOM 0 HE2 MET A 20 9.218 6.004 3.691 1.00 0.93 H new ATOM 0 HE3 MET A 20 8.534 5.269 2.222 1.00 0.93 H new ATOM 266 N LYS A 21 11.775 5.823 -1.625 1.00 0.57 N ATOM 267 CA LYS A 21 11.491 6.561 -2.887 1.00 0.61 C ATOM 268 C LYS A 21 10.863 5.600 -3.905 1.00 0.53 C ATOM 269 O LYS A 21 9.948 5.959 -4.623 1.00 0.51 O ATOM 270 CB LYS A 21 12.784 7.144 -3.456 1.00 0.72 C ATOM 271 CG LYS A 21 13.188 8.375 -2.645 1.00 1.09 C ATOM 272 CD LYS A 21 14.394 9.043 -3.304 1.00 1.24 C ATOM 273 CE LYS A 21 14.741 10.328 -2.551 1.00 1.80 C ATOM 274 NZ LYS A 21 15.848 11.031 -3.259 1.00 2.40 N ATOM 0 H LYS A 21 12.757 5.607 -1.456 1.00 0.57 H new ATOM 0 HA LYS A 21 10.799 7.377 -2.679 1.00 0.61 H new ATOM 0 HB2 LYS A 21 13.577 6.397 -3.423 1.00 0.72 H new ATOM 0 HB3 LYS A 21 12.644 7.415 -4.503 1.00 0.72 H new ATOM 0 HG2 LYS A 21 12.356 9.076 -2.589 1.00 1.09 H new ATOM 0 HG3 LYS A 21 13.432 8.087 -1.622 1.00 1.09 H new ATOM 0 HD2 LYS A 21 15.247 8.364 -3.299 1.00 1.24 H new ATOM 0 HD3 LYS A 21 14.173 9.269 -4.347 1.00 1.24 H new ATOM 0 HE2 LYS A 21 13.865 10.974 -2.489 1.00 1.80 H new ATOM 0 HE3 LYS A 21 15.038 10.095 -1.529 1.00 1.80 H new ATOM 0 HZ1 LYS A 21 16.086 11.906 -2.749 1.00 2.40 H new ATOM 0 HZ2 LYS A 21 16.684 10.413 -3.296 1.00 2.40 H new ATOM 0 HZ3 LYS A 21 15.548 11.265 -4.227 1.00 2.40 H new ATOM 288 N THR A 22 11.317 4.377 -3.968 1.00 0.53 N ATOM 289 CA THR A 22 10.724 3.406 -4.934 1.00 0.52 C ATOM 290 C THR A 22 9.262 3.131 -4.576 1.00 0.45 C ATOM 291 O THR A 22 8.387 3.156 -5.419 1.00 0.48 O ATOM 292 CB THR A 22 11.507 2.093 -4.846 1.00 0.55 C ATOM 293 OG1 THR A 22 12.898 2.368 -4.945 1.00 0.64 O ATOM 294 CG2 THR A 22 11.085 1.169 -5.989 1.00 0.62 C ATOM 0 H THR A 22 12.073 4.008 -3.392 1.00 0.53 H new ATOM 0 HA THR A 22 10.774 3.821 -5.941 1.00 0.52 H new ATOM 0 HB THR A 22 11.299 1.606 -3.893 1.00 0.55 H new ATOM 0 HG1 THR A 22 13.204 2.809 -4.125 1.00 0.64 H new ATOM 0 HG21 THR A 22 11.643 0.234 -5.926 1.00 0.62 H new ATOM 0 HG22 THR A 22 10.018 0.961 -5.913 1.00 0.62 H new ATOM 0 HG23 THR A 22 11.293 1.652 -6.943 1.00 0.62 H new ATOM 302 N GLY A 23 8.996 2.863 -3.327 1.00 0.42 N ATOM 303 CA GLY A 23 7.596 2.578 -2.892 1.00 0.43 C ATOM 304 C GLY A 23 6.692 3.774 -3.194 1.00 0.41 C ATOM 305 O GLY A 23 5.539 3.614 -3.554 1.00 0.47 O ATOM 0 H GLY A 23 9.693 2.829 -2.583 1.00 0.42 H new ATOM 0 HA2 GLY A 23 7.222 1.692 -3.405 1.00 0.43 H new ATOM 0 HA3 GLY A 23 7.577 2.360 -1.824 1.00 0.43 H new ATOM 309 N ALA A 24 7.201 4.968 -3.082 1.00 0.40 N ATOM 310 CA ALA A 24 6.373 6.169 -3.391 1.00 0.41 C ATOM 311 C ALA A 24 5.990 6.159 -4.872 1.00 0.41 C ATOM 312 O ALA A 24 4.991 6.726 -5.277 1.00 0.41 O ATOM 313 CB ALA A 24 7.210 7.419 -3.114 1.00 0.42 C ATOM 0 H ALA A 24 8.158 5.166 -2.789 1.00 0.40 H new ATOM 0 HA ALA A 24 5.472 6.163 -2.778 1.00 0.41 H new ATOM 0 HB1 ALA A 24 6.620 8.308 -3.335 1.00 0.42 H new ATOM 0 HB2 ALA A 24 7.508 7.432 -2.066 1.00 0.42 H new ATOM 0 HB3 ALA A 24 8.099 7.408 -3.744 1.00 0.42 H new ATOM 319 N LEU A 25 6.779 5.500 -5.681 1.00 0.42 N ATOM 320 CA LEU A 25 6.457 5.440 -7.138 1.00 0.44 C ATOM 321 C LEU A 25 5.375 4.386 -7.360 1.00 0.44 C ATOM 322 O LEU A 25 4.416 4.617 -8.069 1.00 0.46 O ATOM 323 CB LEU A 25 7.710 5.103 -7.953 1.00 0.47 C ATOM 324 CG LEU A 25 8.768 6.197 -7.753 1.00 0.77 C ATOM 325 CD1 LEU A 25 10.064 5.778 -8.450 1.00 1.58 C ATOM 326 CD2 LEU A 25 8.278 7.537 -8.340 1.00 1.67 C ATOM 0 H LEU A 25 7.625 5.005 -5.399 1.00 0.42 H new ATOM 0 HA LEU A 25 6.094 6.412 -7.471 1.00 0.44 H new ATOM 0 HB2 LEU A 25 8.109 4.137 -7.642 1.00 0.47 H new ATOM 0 HB3 LEU A 25 7.456 5.018 -9.010 1.00 0.47 H new ATOM 0 HG LEU A 25 8.945 6.327 -6.685 1.00 0.77 H new ATOM 0 HD11 LEU A 25 10.819 6.552 -8.311 1.00 1.58 H new ATOM 0 HD12 LEU A 25 10.421 4.842 -8.021 1.00 1.58 H new ATOM 0 HD13 LEU A 25 9.877 5.641 -9.515 1.00 1.58 H new ATOM 0 HD21 LEU A 25 9.041 8.301 -8.189 1.00 1.67 H new ATOM 0 HD22 LEU A 25 8.088 7.419 -9.407 1.00 1.67 H new ATOM 0 HD23 LEU A 25 7.358 7.839 -7.839 1.00 1.67 H new ATOM 338 N LEU A 26 5.534 3.215 -6.800 1.00 0.45 N ATOM 339 CA LEU A 26 4.523 2.141 -7.031 1.00 0.47 C ATOM 340 C LEU A 26 3.109 2.702 -6.863 1.00 0.49 C ATOM 341 O LEU A 26 2.309 2.655 -7.776 1.00 0.52 O ATOM 342 CB LEU A 26 4.739 0.979 -6.050 1.00 0.51 C ATOM 343 CG LEU A 26 6.223 0.597 -6.002 1.00 0.69 C ATOM 344 CD1 LEU A 26 6.421 -0.572 -5.033 1.00 1.17 C ATOM 345 CD2 LEU A 26 6.702 0.199 -7.401 1.00 1.35 C ATOM 0 H LEU A 26 6.315 2.957 -6.197 1.00 0.45 H new ATOM 0 HA LEU A 26 4.643 1.770 -8.049 1.00 0.47 H new ATOM 0 HB2 LEU A 26 4.397 1.265 -5.055 1.00 0.51 H new ATOM 0 HB3 LEU A 26 4.144 0.119 -6.357 1.00 0.51 H new ATOM 0 HG LEU A 26 6.804 1.452 -5.657 1.00 0.69 H new ATOM 0 HD11 LEU A 26 7.476 -0.842 -5.000 1.00 1.17 H new ATOM 0 HD12 LEU A 26 6.090 -0.279 -4.037 1.00 1.17 H new ATOM 0 HD13 LEU A 26 5.838 -1.428 -5.372 1.00 1.17 H new ATOM 0 HD21 LEU A 26 7.757 -0.071 -7.361 1.00 1.35 H new ATOM 0 HD22 LEU A 26 6.122 -0.653 -7.755 1.00 1.35 H new ATOM 0 HD23 LEU A 26 6.568 1.038 -8.084 1.00 1.35 H new ATOM 357 N LEU A 27 2.777 3.216 -5.711 1.00 0.50 N ATOM 358 CA LEU A 27 1.393 3.747 -5.533 1.00 0.56 C ATOM 359 C LEU A 27 1.117 4.786 -6.618 1.00 0.56 C ATOM 360 O LEU A 27 0.096 4.753 -7.273 1.00 0.60 O ATOM 361 CB LEU A 27 1.188 4.392 -4.132 1.00 0.64 C ATOM 362 CG LEU A 27 2.475 4.340 -3.302 1.00 0.95 C ATOM 363 CD1 LEU A 27 2.339 5.301 -2.120 1.00 1.66 C ATOM 364 CD2 LEU A 27 2.680 2.900 -2.809 1.00 1.42 C ATOM 0 H LEU A 27 3.389 3.292 -4.899 1.00 0.50 H new ATOM 0 HA LEU A 27 0.698 2.911 -5.613 1.00 0.56 H new ATOM 0 HB2 LEU A 27 0.870 5.428 -4.249 1.00 0.64 H new ATOM 0 HB3 LEU A 27 0.390 3.871 -3.603 1.00 0.64 H new ATOM 0 HG LEU A 27 3.336 4.638 -3.900 1.00 0.95 H new ATOM 0 HD11 LEU A 27 3.250 5.273 -1.521 1.00 1.66 H new ATOM 0 HD12 LEU A 27 2.180 6.314 -2.491 1.00 1.66 H new ATOM 0 HD13 LEU A 27 1.491 5.003 -1.504 1.00 1.66 H new ATOM 0 HD21 LEU A 27 3.593 2.845 -2.216 1.00 1.42 H new ATOM 0 HD22 LEU A 27 1.830 2.601 -2.196 1.00 1.42 H new ATOM 0 HD23 LEU A 27 2.763 2.231 -3.665 1.00 1.42 H new ATOM 376 N GLN A 28 2.010 5.718 -6.800 1.00 0.55 N ATOM 377 CA GLN A 28 1.774 6.765 -7.826 1.00 0.58 C ATOM 378 C GLN A 28 1.404 6.106 -9.155 1.00 0.54 C ATOM 379 O GLN A 28 0.547 6.575 -9.878 1.00 0.58 O ATOM 380 CB GLN A 28 3.044 7.605 -8.001 1.00 0.60 C ATOM 381 CG GLN A 28 2.820 8.679 -9.073 1.00 1.00 C ATOM 382 CD GLN A 28 1.573 9.509 -8.745 1.00 1.40 C ATOM 383 OE1 GLN A 28 1.588 10.333 -7.854 1.00 2.09 O ATOM 384 NE2 GLN A 28 0.483 9.318 -9.432 1.00 1.91 N ATOM 0 H GLN A 28 2.887 5.798 -6.285 1.00 0.55 H new ATOM 0 HA GLN A 28 0.956 7.410 -7.505 1.00 0.58 H new ATOM 0 HB2 GLN A 28 3.312 8.075 -7.055 1.00 0.60 H new ATOM 0 HB3 GLN A 28 3.878 6.963 -8.286 1.00 0.60 H new ATOM 0 HG2 GLN A 28 3.692 9.330 -9.133 1.00 1.00 H new ATOM 0 HG3 GLN A 28 2.705 8.209 -10.050 1.00 1.00 H new ATOM 0 HE21 GLN A 28 0.467 8.626 -10.181 1.00 1.91 H new ATOM 0 HE22 GLN A 28 -0.355 9.860 -9.221 1.00 1.91 H new ATOM 393 N GLY A 29 2.049 5.016 -9.480 1.00 0.50 N ATOM 394 CA GLY A 29 1.745 4.315 -10.758 1.00 0.48 C ATOM 395 C GLY A 29 0.410 3.587 -10.628 1.00 0.44 C ATOM 396 O GLY A 29 -0.500 3.798 -11.404 1.00 0.50 O ATOM 0 H GLY A 29 2.776 4.581 -8.911 1.00 0.50 H new ATOM 0 HA2 GLY A 29 1.703 5.032 -11.578 1.00 0.48 H new ATOM 0 HA3 GLY A 29 2.538 3.605 -10.995 1.00 0.48 H new ATOM 400 N PHE A 30 0.281 2.730 -9.650 1.00 0.44 N ATOM 401 CA PHE A 30 -1.002 2.001 -9.483 1.00 0.43 C ATOM 402 C PHE A 30 -2.121 3.012 -9.266 1.00 0.40 C ATOM 403 O PHE A 30 -3.245 2.802 -9.679 1.00 0.43 O ATOM 404 CB PHE A 30 -0.924 1.062 -8.274 1.00 0.47 C ATOM 405 CG PHE A 30 -2.269 0.386 -8.064 1.00 0.47 C ATOM 406 CD1 PHE A 30 -2.817 -0.426 -9.071 1.00 1.39 C ATOM 407 CD2 PHE A 30 -2.969 0.568 -6.862 1.00 1.20 C ATOM 408 CE1 PHE A 30 -4.057 -1.049 -8.874 1.00 1.42 C ATOM 409 CE2 PHE A 30 -4.208 -0.056 -6.668 1.00 1.21 C ATOM 410 CZ PHE A 30 -4.751 -0.863 -7.674 1.00 0.58 C ATOM 0 H PHE A 30 1.004 2.507 -8.966 1.00 0.44 H new ATOM 0 HA PHE A 30 -1.199 1.409 -10.377 1.00 0.43 H new ATOM 0 HB2 PHE A 30 -0.150 0.312 -8.433 1.00 0.47 H new ATOM 0 HB3 PHE A 30 -0.645 1.624 -7.382 1.00 0.47 H new ATOM 0 HD1 PHE A 30 -2.282 -0.570 -9.998 1.00 1.39 H new ATOM 0 HD2 PHE A 30 -2.552 1.191 -6.084 1.00 1.20 H new ATOM 0 HE1 PHE A 30 -4.477 -1.673 -9.649 1.00 1.42 H new ATOM 0 HE2 PHE A 30 -4.745 0.086 -5.741 1.00 1.21 H new ATOM 0 HZ PHE A 30 -5.707 -1.343 -7.524 1.00 0.58 H new ATOM 420 N ILE A 31 -1.829 4.125 -8.641 1.00 0.40 N ATOM 421 CA ILE A 31 -2.885 5.149 -8.428 1.00 0.40 C ATOM 422 C ILE A 31 -3.147 5.828 -9.781 1.00 0.40 C ATOM 423 O ILE A 31 -4.249 5.809 -10.295 1.00 0.43 O ATOM 424 CB ILE A 31 -2.401 6.183 -7.388 1.00 0.41 C ATOM 425 CG1 ILE A 31 -2.389 5.562 -5.987 1.00 0.53 C ATOM 426 CG2 ILE A 31 -3.323 7.396 -7.416 1.00 0.72 C ATOM 427 CD1 ILE A 31 -1.599 6.466 -5.031 1.00 0.48 C ATOM 0 H ILE A 31 -0.908 4.364 -8.272 1.00 0.40 H new ATOM 0 HA ILE A 31 -3.802 4.695 -8.051 1.00 0.40 H new ATOM 0 HB ILE A 31 -1.386 6.494 -7.636 1.00 0.41 H new ATOM 0 HG12 ILE A 31 -3.409 5.436 -5.625 1.00 0.53 H new ATOM 0 HG13 ILE A 31 -1.938 4.570 -6.022 1.00 0.53 H new ATOM 0 HG21 ILE A 31 -2.984 8.128 -6.683 1.00 0.72 H new ATOM 0 HG22 ILE A 31 -3.306 7.843 -8.410 1.00 0.72 H new ATOM 0 HG23 ILE A 31 -4.340 7.086 -7.175 1.00 0.72 H new ATOM 0 HD11 ILE A 31 -1.591 6.023 -4.035 1.00 0.48 H new ATOM 0 HD12 ILE A 31 -0.575 6.569 -5.390 1.00 0.48 H new ATOM 0 HD13 ILE A 31 -2.069 7.449 -4.988 1.00 0.48 H new ATOM 439 N GLN A 32 -2.137 6.411 -10.366 1.00 0.42 N ATOM 440 CA GLN A 32 -2.316 7.074 -11.691 1.00 0.47 C ATOM 441 C GLN A 32 -3.024 6.125 -12.662 1.00 0.50 C ATOM 442 O GLN A 32 -3.750 6.554 -13.537 1.00 0.61 O ATOM 443 CB GLN A 32 -0.951 7.456 -12.263 1.00 0.57 C ATOM 444 CG GLN A 32 -1.147 8.225 -13.571 1.00 1.19 C ATOM 445 CD GLN A 32 0.178 8.860 -13.992 1.00 1.59 C ATOM 446 OE1 GLN A 32 0.800 9.564 -13.222 1.00 2.16 O ATOM 447 NE2 GLN A 32 0.639 8.640 -15.193 1.00 2.21 N ATOM 0 H GLN A 32 -1.193 6.457 -9.983 1.00 0.42 H new ATOM 0 HA GLN A 32 -2.922 7.970 -11.558 1.00 0.47 H new ATOM 0 HB2 GLN A 32 -0.402 8.068 -11.547 1.00 0.57 H new ATOM 0 HB3 GLN A 32 -0.355 6.561 -12.440 1.00 0.57 H new ATOM 0 HG2 GLN A 32 -1.504 7.552 -14.351 1.00 1.19 H new ATOM 0 HG3 GLN A 32 -1.907 8.996 -13.442 1.00 1.19 H new ATOM 0 HE21 GLN A 32 0.117 8.049 -15.839 1.00 2.21 H new ATOM 0 HE22 GLN A 32 1.522 9.059 -15.485 1.00 2.21 H new ATOM 456 N ASP A 33 -2.822 4.844 -12.527 1.00 0.49 N ATOM 457 CA ASP A 33 -3.492 3.893 -13.459 1.00 0.58 C ATOM 458 C ASP A 33 -4.983 3.804 -13.117 1.00 0.61 C ATOM 459 O ASP A 33 -5.827 3.752 -13.990 1.00 0.70 O ATOM 460 CB ASP A 33 -2.845 2.511 -13.335 1.00 0.61 C ATOM 461 CG ASP A 33 -3.369 1.597 -14.445 1.00 1.10 C ATOM 462 OD1 ASP A 33 -4.497 1.794 -14.865 1.00 1.89 O ATOM 463 OD2 ASP A 33 -2.633 0.714 -14.856 1.00 1.78 O ATOM 0 H ASP A 33 -2.227 4.416 -11.818 1.00 0.49 H new ATOM 0 HA ASP A 33 -3.381 4.249 -14.483 1.00 0.58 H new ATOM 0 HB2 ASP A 33 -1.761 2.599 -13.404 1.00 0.61 H new ATOM 0 HB3 ASP A 33 -3.069 2.080 -12.359 1.00 0.61 H new ATOM 468 N ARG A 34 -5.314 3.784 -11.853 1.00 0.58 N ATOM 469 CA ARG A 34 -6.751 3.697 -11.451 1.00 0.71 C ATOM 470 C ARG A 34 -7.378 5.098 -11.475 1.00 0.65 C ATOM 471 O ARG A 34 -8.584 5.246 -11.449 1.00 0.85 O ATOM 472 CB ARG A 34 -6.847 3.115 -10.026 1.00 0.85 C ATOM 473 CG ARG A 34 -6.869 1.575 -10.071 1.00 1.25 C ATOM 474 CD ARG A 34 -8.305 1.076 -10.302 1.00 1.31 C ATOM 475 NE ARG A 34 -8.291 -0.362 -10.733 1.00 1.58 N ATOM 476 CZ ARG A 34 -7.654 -0.756 -11.805 1.00 2.09 C ATOM 477 NH1 ARG A 34 -7.131 0.113 -12.624 1.00 2.58 N ATOM 478 NH2 ARG A 34 -7.584 -2.030 -12.082 1.00 2.75 N ATOM 0 H ARG A 34 -4.651 3.824 -11.079 1.00 0.58 H new ATOM 0 HA ARG A 34 -7.285 3.051 -12.147 1.00 0.71 H new ATOM 0 HB2 ARG A 34 -6.000 3.455 -9.430 1.00 0.85 H new ATOM 0 HB3 ARG A 34 -7.749 3.483 -9.537 1.00 0.85 H new ATOM 0 HG2 ARG A 34 -6.218 1.217 -10.869 1.00 1.25 H new ATOM 0 HG3 ARG A 34 -6.480 1.170 -9.137 1.00 1.25 H new ATOM 0 HD2 ARG A 34 -8.887 1.183 -9.386 1.00 1.31 H new ATOM 0 HD3 ARG A 34 -8.792 1.686 -11.062 1.00 1.31 H new ATOM 0 HE ARG A 34 -8.793 -1.052 -10.174 1.00 1.58 H new ATOM 0 HH11 ARG A 34 -7.217 1.111 -12.431 1.00 2.58 H new ATOM 0 HH12 ARG A 34 -6.636 -0.205 -13.457 1.00 2.58 H new ATOM 0 HH21 ARG A 34 -8.025 -2.711 -11.464 1.00 2.75 H new ATOM 0 HH22 ARG A 34 -7.089 -2.344 -12.917 1.00 2.75 H new ATOM 492 N ALA A 35 -6.575 6.122 -11.537 1.00 0.59 N ATOM 493 CA ALA A 35 -7.127 7.508 -11.575 1.00 0.66 C ATOM 494 C ALA A 35 -7.356 7.914 -13.031 1.00 0.80 C ATOM 495 O ALA A 35 -8.195 8.738 -13.339 1.00 0.88 O ATOM 496 CB ALA A 35 -6.115 8.466 -10.946 1.00 0.94 C ATOM 0 H ALA A 35 -5.557 6.061 -11.563 1.00 0.59 H new ATOM 0 HA ALA A 35 -8.067 7.547 -11.025 1.00 0.66 H new ATOM 0 HB1 ALA A 35 -6.511 9.481 -10.970 1.00 0.94 H new ATOM 0 HB2 ALA A 35 -5.930 8.173 -9.912 1.00 0.94 H new ATOM 0 HB3 ALA A 35 -5.181 8.428 -11.506 1.00 0.94 H new ATOM 502 N GLY A 36 -6.597 7.338 -13.928 1.00 1.15 N ATOM 503 CA GLY A 36 -6.731 7.667 -15.362 1.00 1.62 C ATOM 504 C GLY A 36 -7.858 6.844 -15.966 1.00 1.54 C ATOM 505 O GLY A 36 -8.400 5.951 -15.347 1.00 2.10 O ATOM 0 H GLY A 36 -5.881 6.643 -13.715 1.00 1.15 H new ATOM 0 HA2 GLY A 36 -6.936 8.730 -15.485 1.00 1.62 H new ATOM 0 HA3 GLY A 36 -5.796 7.461 -15.883 1.00 1.62 H new ATOM 509 N ARG A 37 -8.193 7.142 -17.178 1.00 2.07 N ATOM 510 CA ARG A 37 -9.277 6.403 -17.890 1.00 2.87 C ATOM 511 C ARG A 37 -9.453 7.010 -19.281 1.00 3.46 C ATOM 512 O ARG A 37 -10.555 7.297 -19.702 1.00 4.10 O ATOM 513 CB ARG A 37 -10.601 6.527 -17.136 1.00 3.63 C ATOM 514 CG ARG A 37 -10.862 8.008 -16.790 1.00 4.34 C ATOM 515 CD ARG A 37 -12.369 8.260 -16.635 1.00 5.18 C ATOM 516 NE ARG A 37 -12.652 9.731 -16.725 1.00 5.74 N ATOM 517 CZ ARG A 37 -12.020 10.601 -15.978 1.00 6.53 C ATOM 518 NH1 ARG A 37 -11.276 10.210 -14.982 1.00 6.88 N ATOM 519 NH2 ARG A 37 -12.190 11.876 -16.192 1.00 7.21 N ATOM 0 H ARG A 37 -7.756 7.883 -17.726 1.00 2.07 H new ATOM 0 HA ARG A 37 -9.001 5.350 -17.955 1.00 2.87 H new ATOM 0 HB2 ARG A 37 -11.416 6.136 -17.745 1.00 3.63 H new ATOM 0 HB3 ARG A 37 -10.570 5.930 -16.225 1.00 3.63 H new ATOM 0 HG2 ARG A 37 -10.346 8.270 -15.866 1.00 4.34 H new ATOM 0 HG3 ARG A 37 -10.458 8.649 -17.574 1.00 4.34 H new ATOM 0 HD2 ARG A 37 -12.918 7.727 -17.412 1.00 5.18 H new ATOM 0 HD3 ARG A 37 -12.715 7.872 -15.677 1.00 5.18 H new ATOM 0 HE ARG A 37 -13.355 10.062 -17.386 1.00 5.74 H new ATOM 0 HH11 ARG A 37 -11.181 9.216 -14.776 1.00 6.88 H new ATOM 0 HH12 ARG A 37 -10.789 10.898 -14.408 1.00 6.88 H new ATOM 0 HH21 ARG A 37 -12.812 12.190 -16.937 1.00 7.21 H new ATOM 0 HH22 ARG A 37 -11.701 12.560 -15.614 1.00 7.21 H new ATOM 533 N MET A 38 -8.380 7.217 -19.991 1.00 3.74 N ATOM 534 CA MET A 38 -8.490 7.811 -21.353 1.00 4.68 C ATOM 535 C MET A 38 -9.224 9.155 -21.291 1.00 4.70 C ATOM 536 O MET A 38 -10.305 9.318 -21.821 1.00 5.17 O ATOM 537 CB MET A 38 -9.273 6.854 -22.265 1.00 5.62 C ATOM 538 CG MET A 38 -9.202 7.338 -23.718 1.00 5.93 C ATOM 539 SD MET A 38 -10.426 6.444 -24.715 1.00 6.79 S ATOM 540 CE MET A 38 -11.923 7.140 -23.965 1.00 7.04 C ATOM 0 H MET A 38 -7.431 7.001 -19.687 1.00 3.74 H new ATOM 0 HA MET A 38 -7.487 7.970 -21.749 1.00 4.68 H new ATOM 0 HB2 MET A 38 -8.862 5.847 -22.188 1.00 5.62 H new ATOM 0 HB3 MET A 38 -10.313 6.799 -21.942 1.00 5.62 H new ATOM 0 HG2 MET A 38 -9.392 8.410 -23.765 1.00 5.93 H new ATOM 0 HG3 MET A 38 -8.202 7.174 -24.118 1.00 5.93 H new ATOM 0 HE1 MET A 38 -12.711 7.201 -24.715 1.00 7.04 H new ATOM 0 HE2 MET A 38 -12.251 6.500 -23.146 1.00 7.04 H new ATOM 0 HE3 MET A 38 -11.708 8.138 -23.582 1.00 7.04 H new ATOM 550 N GLY A 39 -8.634 10.119 -20.623 1.00 4.57 N ATOM 551 CA GLY A 39 -9.267 11.470 -20.489 1.00 4.85 C ATOM 552 C GLY A 39 -9.161 11.943 -19.034 1.00 4.67 C ATOM 553 O GLY A 39 -10.101 11.845 -18.270 1.00 4.95 O ATOM 0 H GLY A 39 -7.730 10.025 -20.160 1.00 4.57 H new ATOM 0 HA2 GLY A 39 -8.773 12.182 -21.151 1.00 4.85 H new ATOM 0 HA3 GLY A 39 -10.313 11.425 -20.793 1.00 4.85 H new ATOM 557 N GLY A 40 -8.020 12.451 -18.641 1.00 4.58 N ATOM 558 CA GLY A 40 -7.848 12.929 -17.231 1.00 4.69 C ATOM 559 C GLY A 40 -6.921 14.147 -17.214 1.00 4.20 C ATOM 560 O GLY A 40 -6.002 14.247 -18.002 1.00 4.34 O ATOM 0 H GLY A 40 -7.198 12.556 -19.235 1.00 4.58 H new ATOM 0 HA2 GLY A 40 -8.816 13.190 -16.804 1.00 4.69 H new ATOM 0 HA3 GLY A 40 -7.431 12.133 -16.614 1.00 4.69 H new ATOM 564 N GLU A 41 -7.151 15.077 -16.323 1.00 4.01 N ATOM 565 CA GLU A 41 -6.281 16.286 -16.263 1.00 3.88 C ATOM 566 C GLU A 41 -5.004 15.953 -15.484 1.00 3.63 C ATOM 567 O GLU A 41 -4.297 16.832 -15.034 1.00 4.16 O ATOM 568 CB GLU A 41 -7.045 17.416 -15.554 1.00 4.26 C ATOM 569 CG GLU A 41 -6.464 18.776 -15.952 1.00 4.51 C ATOM 570 CD GLU A 41 -6.882 19.108 -17.385 1.00 4.90 C ATOM 571 OE1 GLU A 41 -8.074 19.124 -17.644 1.00 5.19 O ATOM 572 OE2 GLU A 41 -6.003 19.339 -18.199 1.00 5.28 O ATOM 0 H GLU A 41 -7.904 15.050 -15.635 1.00 4.01 H new ATOM 0 HA GLU A 41 -6.013 16.604 -17.271 1.00 3.88 H new ATOM 0 HB2 GLU A 41 -8.102 17.372 -15.818 1.00 4.26 H new ATOM 0 HB3 GLU A 41 -6.981 17.287 -14.474 1.00 4.26 H new ATOM 0 HG2 GLU A 41 -6.819 19.549 -15.270 1.00 4.51 H new ATOM 0 HG3 GLU A 41 -5.377 18.756 -15.874 1.00 4.51 H new ATOM 579 N ALA A 42 -4.706 14.690 -15.322 1.00 3.19 N ATOM 580 CA ALA A 42 -3.475 14.302 -14.574 1.00 3.24 C ATOM 581 C ALA A 42 -3.471 14.975 -13.194 1.00 2.77 C ATOM 582 O ALA A 42 -2.716 15.901 -12.977 1.00 3.06 O ATOM 583 CB ALA A 42 -2.247 14.774 -15.346 1.00 4.08 C ATOM 0 H ALA A 42 -5.262 13.911 -15.675 1.00 3.19 H new ATOM 0 HA ALA A 42 -3.456 13.218 -14.457 1.00 3.24 H new ATOM 0 HB1 ALA A 42 -1.345 14.492 -14.803 1.00 4.08 H new ATOM 0 HB2 ALA A 42 -2.236 14.310 -16.332 1.00 4.08 H new ATOM 0 HB3 ALA A 42 -2.281 15.858 -15.456 1.00 4.08 H new ATOM 589 N PRO A 43 -4.309 14.505 -12.297 1.00 2.70 N ATOM 590 CA PRO A 43 -4.384 15.085 -10.944 1.00 3.03 C ATOM 591 C PRO A 43 -3.011 14.950 -10.249 1.00 2.67 C ATOM 592 O PRO A 43 -2.010 15.398 -10.774 1.00 2.87 O ATOM 593 CB PRO A 43 -5.518 14.292 -10.240 1.00 3.84 C ATOM 594 CG PRO A 43 -6.060 13.244 -11.254 1.00 3.86 C ATOM 595 CD PRO A 43 -5.235 13.380 -12.551 1.00 3.12 C ATOM 0 HA PRO A 43 -4.609 16.151 -10.928 1.00 3.03 H new ATOM 0 HB2 PRO A 43 -5.141 13.798 -9.344 1.00 3.84 H new ATOM 0 HB3 PRO A 43 -6.315 14.964 -9.922 1.00 3.84 H new ATOM 0 HG2 PRO A 43 -5.971 12.236 -10.848 1.00 3.86 H new ATOM 0 HG3 PRO A 43 -7.118 13.415 -11.453 1.00 3.86 H new ATOM 0 HD2 PRO A 43 -4.690 12.462 -12.771 1.00 3.12 H new ATOM 0 HD3 PRO A 43 -5.877 13.583 -13.408 1.00 3.12 H new ATOM 603 N GLU A 44 -2.941 14.364 -9.084 1.00 2.45 N ATOM 604 CA GLU A 44 -1.631 14.241 -8.398 1.00 2.23 C ATOM 605 C GLU A 44 -0.595 13.632 -9.325 1.00 1.75 C ATOM 606 O GLU A 44 -0.881 13.348 -10.471 1.00 2.00 O ATOM 607 CB GLU A 44 -1.754 13.340 -7.170 1.00 2.55 C ATOM 608 CG GLU A 44 -2.193 11.907 -7.568 1.00 2.70 C ATOM 609 CD GLU A 44 -1.643 10.898 -6.553 1.00 3.17 C ATOM 610 OE1 GLU A 44 -0.433 10.841 -6.408 1.00 3.42 O ATOM 611 OE2 GLU A 44 -2.435 10.196 -5.947 1.00 3.77 O ATOM 0 H GLU A 44 -3.735 13.967 -8.582 1.00 2.45 H new ATOM 0 HA GLU A 44 -1.321 15.243 -8.101 1.00 2.23 H new ATOM 0 HB2 GLU A 44 -0.798 13.299 -6.649 1.00 2.55 H new ATOM 0 HB3 GLU A 44 -2.478 13.765 -6.475 1.00 2.55 H new ATOM 0 HG2 GLU A 44 -3.281 11.846 -7.603 1.00 2.70 H new ATOM 0 HG3 GLU A 44 -1.828 11.669 -8.567 1.00 2.70 H new ATOM 618 N LEU A 45 0.589 13.375 -8.847 1.00 1.80 N ATOM 619 CA LEU A 45 1.580 12.732 -9.740 1.00 1.80 C ATOM 620 C LEU A 45 2.909 12.453 -9.020 1.00 2.29 C ATOM 621 O LEU A 45 3.777 11.823 -9.585 1.00 3.01 O ATOM 622 CB LEU A 45 1.837 13.615 -10.982 1.00 2.23 C ATOM 623 CG LEU A 45 1.826 15.108 -10.608 1.00 2.52 C ATOM 624 CD1 LEU A 45 2.737 15.367 -9.402 1.00 3.22 C ATOM 625 CD2 LEU A 45 2.324 15.920 -11.805 1.00 3.00 C ATOM 0 H LEU A 45 0.905 13.578 -7.899 1.00 1.80 H new ATOM 0 HA LEU A 45 1.160 11.775 -10.051 1.00 1.80 H new ATOM 0 HB2 LEU A 45 2.798 13.354 -11.426 1.00 2.23 H new ATOM 0 HB3 LEU A 45 1.074 13.419 -11.736 1.00 2.23 H new ATOM 0 HG LEU A 45 0.810 15.404 -10.346 1.00 2.52 H new ATOM 0 HD11 LEU A 45 2.717 16.428 -9.152 1.00 3.22 H new ATOM 0 HD12 LEU A 45 2.386 14.786 -8.549 1.00 3.22 H new ATOM 0 HD13 LEU A 45 3.757 15.071 -9.647 1.00 3.22 H new ATOM 0 HD21 LEU A 45 2.321 16.980 -11.552 1.00 3.00 H new ATOM 0 HD22 LEU A 45 3.338 15.610 -12.058 1.00 3.00 H new ATOM 0 HD23 LEU A 45 1.669 15.749 -12.659 1.00 3.00 H new ATOM 637 N ALA A 46 3.097 12.912 -7.806 1.00 2.46 N ATOM 638 CA ALA A 46 4.404 12.648 -7.121 1.00 3.15 C ATOM 639 C ALA A 46 5.509 13.356 -7.914 1.00 2.91 C ATOM 640 O ALA A 46 5.695 13.079 -9.083 1.00 3.07 O ATOM 641 CB ALA A 46 4.667 11.132 -7.135 1.00 4.05 C ATOM 0 H ALA A 46 2.417 13.448 -7.267 1.00 2.46 H new ATOM 0 HA ALA A 46 4.383 13.011 -6.093 1.00 3.15 H new ATOM 0 HB1 ALA A 46 5.615 10.923 -6.640 1.00 4.05 H new ATOM 0 HB2 ALA A 46 3.862 10.618 -6.609 1.00 4.05 H new ATOM 0 HB3 ALA A 46 4.710 10.780 -8.166 1.00 4.05 H new ATOM 647 N LEU A 47 6.256 14.252 -7.312 1.00 3.18 N ATOM 648 CA LEU A 47 7.335 14.935 -8.066 1.00 3.43 C ATOM 649 C LEU A 47 8.659 14.207 -7.817 1.00 3.14 C ATOM 650 O LEU A 47 8.687 13.023 -7.540 1.00 3.51 O ATOM 651 CB LEU A 47 7.408 16.432 -7.698 1.00 4.05 C ATOM 652 CG LEU A 47 7.111 16.653 -6.209 1.00 4.77 C ATOM 653 CD1 LEU A 47 5.607 16.441 -5.895 1.00 5.26 C ATOM 654 CD2 LEU A 47 7.989 15.715 -5.362 1.00 5.35 C ATOM 0 H LEU A 47 6.160 14.533 -6.336 1.00 3.18 H new ATOM 0 HA LEU A 47 7.119 14.895 -9.134 1.00 3.43 H new ATOM 0 HB2 LEU A 47 8.399 16.819 -7.935 1.00 4.05 H new ATOM 0 HB3 LEU A 47 6.694 16.993 -8.301 1.00 4.05 H new ATOM 0 HG LEU A 47 7.350 17.686 -5.956 1.00 4.77 H new ATOM 0 HD11 LEU A 47 5.431 16.605 -4.832 1.00 5.26 H new ATOM 0 HD12 LEU A 47 5.011 17.146 -6.475 1.00 5.26 H new ATOM 0 HD13 LEU A 47 5.321 15.423 -6.157 1.00 5.26 H new ATOM 0 HD21 LEU A 47 7.776 15.874 -4.305 1.00 5.35 H new ATOM 0 HD22 LEU A 47 7.773 14.679 -5.624 1.00 5.35 H new ATOM 0 HD23 LEU A 47 9.040 15.927 -5.556 1.00 5.35 H new ATOM 666 N ASP A 48 9.737 14.897 -7.968 1.00 3.02 N ATOM 667 CA ASP A 48 11.101 14.294 -7.821 1.00 3.07 C ATOM 668 C ASP A 48 11.096 12.901 -8.482 1.00 2.77 C ATOM 669 O ASP A 48 11.232 11.903 -7.804 1.00 2.85 O ATOM 670 CB ASP A 48 11.496 14.186 -6.347 1.00 3.61 C ATOM 671 CG ASP A 48 11.715 15.577 -5.756 1.00 4.22 C ATOM 672 OD1 ASP A 48 11.322 16.540 -6.392 1.00 4.68 O ATOM 673 OD2 ASP A 48 12.269 15.654 -4.672 1.00 4.69 O ATOM 0 H ASP A 48 9.744 15.891 -8.196 1.00 3.02 H new ATOM 0 HA ASP A 48 11.835 14.934 -8.310 1.00 3.07 H new ATOM 0 HB2 ASP A 48 10.716 13.666 -5.791 1.00 3.61 H new ATOM 0 HB3 ASP A 48 12.406 13.594 -6.249 1.00 3.61 H new ATOM 678 N PRO A 49 10.905 12.869 -9.790 1.00 3.11 N ATOM 679 CA PRO A 49 10.841 11.595 -10.531 1.00 3.40 C ATOM 680 C PRO A 49 12.153 10.808 -10.404 1.00 3.08 C ATOM 681 O PRO A 49 13.125 11.263 -9.836 1.00 3.32 O ATOM 682 CB PRO A 49 10.566 11.998 -12.002 1.00 4.36 C ATOM 683 CG PRO A 49 10.520 13.551 -12.063 1.00 4.66 C ATOM 684 CD PRO A 49 10.743 14.081 -10.630 1.00 3.86 C ATOM 0 HA PRO A 49 10.065 10.937 -10.139 1.00 3.40 H new ATOM 0 HB2 PRO A 49 11.347 11.612 -12.657 1.00 4.36 H new ATOM 0 HB3 PRO A 49 9.623 11.573 -12.346 1.00 4.36 H new ATOM 0 HG2 PRO A 49 11.289 13.931 -12.736 1.00 4.66 H new ATOM 0 HG3 PRO A 49 9.560 13.891 -12.452 1.00 4.66 H new ATOM 0 HD2 PRO A 49 11.626 14.717 -10.578 1.00 3.86 H new ATOM 0 HD3 PRO A 49 9.897 14.682 -10.296 1.00 3.86 H new ATOM 692 N VAL A 50 12.158 9.622 -10.952 1.00 3.08 N ATOM 693 CA VAL A 50 13.379 8.761 -10.905 1.00 3.10 C ATOM 694 C VAL A 50 13.486 7.946 -12.215 1.00 2.75 C ATOM 695 O VAL A 50 12.523 7.310 -12.594 1.00 2.91 O ATOM 696 CB VAL A 50 13.275 7.801 -9.717 1.00 3.88 C ATOM 697 CG1 VAL A 50 14.613 7.082 -9.531 1.00 4.44 C ATOM 698 CG2 VAL A 50 12.948 8.597 -8.452 1.00 4.50 C ATOM 0 H VAL A 50 11.361 9.208 -11.435 1.00 3.08 H new ATOM 0 HA VAL A 50 14.264 9.388 -10.794 1.00 3.10 H new ATOM 0 HB VAL A 50 12.489 7.070 -9.903 1.00 3.88 H new ATOM 0 HG11 VAL A 50 14.544 6.397 -8.686 1.00 4.44 H new ATOM 0 HG12 VAL A 50 14.853 6.521 -10.434 1.00 4.44 H new ATOM 0 HG13 VAL A 50 15.397 7.815 -9.340 1.00 4.44 H new ATOM 0 HG21 VAL A 50 12.873 7.917 -7.603 1.00 4.50 H new ATOM 0 HG22 VAL A 50 13.738 9.324 -8.265 1.00 4.50 H new ATOM 0 HG23 VAL A 50 12.000 9.118 -8.585 1.00 4.50 H new ATOM 708 N PRO A 51 14.637 7.962 -12.884 1.00 2.91 N ATOM 709 CA PRO A 51 14.792 7.194 -14.137 1.00 3.22 C ATOM 710 C PRO A 51 14.512 5.708 -13.871 1.00 2.93 C ATOM 711 O PRO A 51 14.038 5.342 -12.816 1.00 3.37 O ATOM 712 CB PRO A 51 16.257 7.426 -14.579 1.00 4.09 C ATOM 713 CG PRO A 51 16.916 8.373 -13.536 1.00 4.27 C ATOM 714 CD PRO A 51 15.847 8.717 -12.475 1.00 3.50 C ATOM 0 HA PRO A 51 14.096 7.509 -14.914 1.00 3.22 H new ATOM 0 HB2 PRO A 51 16.796 6.480 -14.632 1.00 4.09 H new ATOM 0 HB3 PRO A 51 16.292 7.869 -15.574 1.00 4.09 H new ATOM 0 HG2 PRO A 51 17.776 7.891 -13.071 1.00 4.27 H new ATOM 0 HG3 PRO A 51 17.281 9.279 -14.019 1.00 4.27 H new ATOM 0 HD2 PRO A 51 16.174 8.426 -11.477 1.00 3.50 H new ATOM 0 HD3 PRO A 51 15.651 9.789 -12.446 1.00 3.50 H new ATOM 722 N GLN A 52 14.801 4.862 -14.828 1.00 2.70 N ATOM 723 CA GLN A 52 14.554 3.398 -14.656 1.00 2.85 C ATOM 724 C GLN A 52 13.076 3.164 -14.337 1.00 2.14 C ATOM 725 O GLN A 52 12.564 3.631 -13.340 1.00 2.38 O ATOM 726 CB GLN A 52 15.425 2.848 -13.521 1.00 3.67 C ATOM 727 CG GLN A 52 16.896 3.156 -13.812 1.00 4.37 C ATOM 728 CD GLN A 52 17.760 2.657 -12.653 1.00 5.22 C ATOM 729 OE1 GLN A 52 18.661 3.343 -12.212 1.00 5.74 O ATOM 730 NE2 GLN A 52 17.522 1.482 -12.136 1.00 5.74 N ATOM 0 H GLN A 52 15.201 5.126 -15.729 1.00 2.70 H new ATOM 0 HA GLN A 52 14.812 2.880 -15.580 1.00 2.85 H new ATOM 0 HB2 GLN A 52 15.130 3.295 -12.572 1.00 3.67 H new ATOM 0 HB3 GLN A 52 15.280 1.772 -13.425 1.00 3.67 H new ATOM 0 HG2 GLN A 52 17.202 2.676 -14.741 1.00 4.37 H new ATOM 0 HG3 GLN A 52 17.034 4.229 -13.947 1.00 4.37 H new ATOM 0 HE21 GLN A 52 16.766 0.906 -12.506 1.00 5.74 H new ATOM 0 HE22 GLN A 52 18.092 1.140 -11.362 1.00 5.74 H new ATOM 739 N ASP A 53 12.377 2.450 -15.182 1.00 1.78 N ATOM 740 CA ASP A 53 10.925 2.201 -14.928 1.00 1.30 C ATOM 741 C ASP A 53 10.538 0.793 -15.384 1.00 1.07 C ATOM 742 O ASP A 53 9.438 0.341 -15.136 1.00 1.19 O ATOM 743 CB ASP A 53 10.098 3.227 -15.706 1.00 1.65 C ATOM 744 CG ASP A 53 8.616 3.049 -15.371 1.00 2.27 C ATOM 745 OD1 ASP A 53 8.259 3.260 -14.223 1.00 2.91 O ATOM 746 OD2 ASP A 53 7.863 2.705 -16.267 1.00 2.80 O ATOM 0 H ASP A 53 12.747 2.030 -16.034 1.00 1.78 H new ATOM 0 HA ASP A 53 10.730 2.292 -13.859 1.00 1.30 H new ATOM 0 HB2 ASP A 53 10.420 4.237 -15.452 1.00 1.65 H new ATOM 0 HB3 ASP A 53 10.257 3.101 -16.777 1.00 1.65 H new ATOM 751 N ALA A 54 11.415 0.086 -16.046 1.00 0.91 N ATOM 752 CA ALA A 54 11.046 -1.287 -16.495 1.00 0.84 C ATOM 753 C ALA A 54 10.750 -2.146 -15.264 1.00 0.76 C ATOM 754 O ALA A 54 9.842 -2.953 -15.256 1.00 0.75 O ATOM 755 CB ALA A 54 12.194 -1.901 -17.300 1.00 0.95 C ATOM 0 H ALA A 54 12.356 0.394 -16.292 1.00 0.91 H new ATOM 0 HA ALA A 54 10.163 -1.241 -17.132 1.00 0.84 H new ATOM 0 HB1 ALA A 54 11.916 -2.904 -17.624 1.00 0.95 H new ATOM 0 HB2 ALA A 54 12.398 -1.281 -18.173 1.00 0.95 H new ATOM 0 HB3 ALA A 54 13.087 -1.956 -16.677 1.00 0.95 H new ATOM 761 N SER A 55 11.500 -1.953 -14.214 1.00 0.75 N ATOM 762 CA SER A 55 11.267 -2.722 -12.959 1.00 0.71 C ATOM 763 C SER A 55 9.933 -2.292 -12.349 1.00 0.66 C ATOM 764 O SER A 55 9.135 -3.105 -11.926 1.00 0.66 O ATOM 765 CB SER A 55 12.390 -2.410 -11.969 1.00 0.76 C ATOM 766 OG SER A 55 13.619 -2.908 -12.483 1.00 1.37 O ATOM 0 H SER A 55 12.272 -1.288 -14.172 1.00 0.75 H new ATOM 0 HA SER A 55 11.248 -3.790 -13.177 1.00 0.71 H new ATOM 0 HB2 SER A 55 12.459 -1.334 -11.807 1.00 0.76 H new ATOM 0 HB3 SER A 55 12.175 -2.865 -11.002 1.00 0.76 H new ATOM 0 HG SER A 55 14.342 -2.709 -11.852 1.00 1.37 H new ATOM 772 N THR A 56 9.697 -1.011 -12.290 1.00 0.65 N ATOM 773 CA THR A 56 8.430 -0.502 -11.698 1.00 0.62 C ATOM 774 C THR A 56 7.272 -0.696 -12.680 1.00 0.59 C ATOM 775 O THR A 56 6.125 -0.804 -12.287 1.00 0.57 O ATOM 776 CB THR A 56 8.592 0.994 -11.386 1.00 0.67 C ATOM 777 OG1 THR A 56 9.710 1.170 -10.527 1.00 1.09 O ATOM 778 CG2 THR A 56 7.330 1.547 -10.694 1.00 1.06 C ATOM 0 H THR A 56 10.333 -0.290 -12.630 1.00 0.65 H new ATOM 0 HA THR A 56 8.211 -1.054 -10.784 1.00 0.62 H new ATOM 0 HB THR A 56 8.743 1.534 -12.321 1.00 0.67 H new ATOM 0 HG1 THR A 56 9.821 2.123 -10.325 1.00 1.09 H new ATOM 0 HG21 THR A 56 7.466 2.607 -10.482 1.00 1.06 H new ATOM 0 HG22 THR A 56 6.469 1.416 -11.349 1.00 1.06 H new ATOM 0 HG23 THR A 56 7.162 1.009 -9.761 1.00 1.06 H new ATOM 786 N LYS A 57 7.553 -0.738 -13.953 1.00 0.61 N ATOM 787 CA LYS A 57 6.453 -0.916 -14.944 1.00 0.59 C ATOM 788 C LYS A 57 5.822 -2.299 -14.757 1.00 0.54 C ATOM 789 O LYS A 57 4.621 -2.428 -14.607 1.00 0.52 O ATOM 790 CB LYS A 57 7.020 -0.783 -16.364 1.00 0.65 C ATOM 791 CG LYS A 57 5.918 -1.004 -17.416 1.00 1.20 C ATOM 792 CD LYS A 57 6.548 -1.112 -18.808 1.00 1.33 C ATOM 793 CE LYS A 57 7.196 0.220 -19.198 1.00 1.94 C ATOM 794 NZ LYS A 57 7.413 0.248 -20.671 1.00 2.73 N ATOM 0 H LYS A 57 8.490 -0.657 -14.349 1.00 0.61 H new ATOM 0 HA LYS A 57 5.691 -0.152 -14.792 1.00 0.59 H new ATOM 0 HB2 LYS A 57 7.460 0.206 -16.494 1.00 0.65 H new ATOM 0 HB3 LYS A 57 7.820 -1.509 -16.511 1.00 0.65 H new ATOM 0 HG2 LYS A 57 5.360 -1.912 -17.187 1.00 1.20 H new ATOM 0 HG3 LYS A 57 5.207 -0.178 -17.391 1.00 1.20 H new ATOM 0 HD2 LYS A 57 7.296 -1.905 -18.817 1.00 1.33 H new ATOM 0 HD3 LYS A 57 5.787 -1.383 -19.540 1.00 1.33 H new ATOM 0 HE2 LYS A 57 6.557 1.050 -18.897 1.00 1.94 H new ATOM 0 HE3 LYS A 57 8.145 0.343 -18.676 1.00 1.94 H new ATOM 0 HZ1 LYS A 57 7.853 1.151 -20.940 1.00 2.73 H new ATOM 0 HZ2 LYS A 57 8.038 -0.537 -20.945 1.00 2.73 H new ATOM 0 HZ3 LYS A 57 6.500 0.149 -21.158 1.00 2.73 H new ATOM 808 N LYS A 58 6.610 -3.337 -14.762 1.00 0.55 N ATOM 809 CA LYS A 58 6.030 -4.695 -14.584 1.00 0.53 C ATOM 810 C LYS A 58 5.389 -4.780 -13.200 1.00 0.48 C ATOM 811 O LYS A 58 4.324 -5.342 -13.038 1.00 0.46 O ATOM 812 CB LYS A 58 7.136 -5.750 -14.723 1.00 0.56 C ATOM 813 CG LYS A 58 6.573 -7.151 -14.399 1.00 0.78 C ATOM 814 CD LYS A 58 7.303 -8.219 -15.226 1.00 0.96 C ATOM 815 CE LYS A 58 6.790 -9.610 -14.838 1.00 0.85 C ATOM 816 NZ LYS A 58 7.472 -10.058 -13.593 1.00 1.75 N ATOM 0 H LYS A 58 7.623 -3.304 -14.881 1.00 0.55 H new ATOM 0 HA LYS A 58 5.273 -4.881 -15.346 1.00 0.53 H new ATOM 0 HB2 LYS A 58 7.538 -5.736 -15.736 1.00 0.56 H new ATOM 0 HB3 LYS A 58 7.960 -5.516 -14.050 1.00 0.56 H new ATOM 0 HG2 LYS A 58 6.690 -7.361 -13.336 1.00 0.78 H new ATOM 0 HG3 LYS A 58 5.505 -7.181 -14.614 1.00 0.78 H new ATOM 0 HD2 LYS A 58 7.140 -8.044 -16.289 1.00 0.96 H new ATOM 0 HD3 LYS A 58 8.377 -8.155 -15.053 1.00 0.96 H new ATOM 0 HE2 LYS A 58 5.711 -9.582 -14.685 1.00 0.85 H new ATOM 0 HE3 LYS A 58 6.980 -10.318 -15.645 1.00 0.85 H new ATOM 0 HZ1 LYS A 58 7.399 -11.092 -13.510 1.00 1.75 H new ATOM 0 HZ2 LYS A 58 8.475 -9.784 -13.628 1.00 1.75 H new ATOM 0 HZ3 LYS A 58 7.020 -9.612 -12.770 1.00 1.75 H new ATOM 830 N LEU A 59 6.025 -4.253 -12.193 1.00 0.50 N ATOM 831 CA LEU A 59 5.424 -4.352 -10.835 1.00 0.47 C ATOM 832 C LEU A 59 4.048 -3.669 -10.855 1.00 0.43 C ATOM 833 O LEU A 59 3.213 -3.893 -10.000 1.00 0.42 O ATOM 834 CB LEU A 59 6.357 -3.701 -9.798 1.00 0.53 C ATOM 835 CG LEU A 59 6.289 -4.455 -8.461 1.00 0.71 C ATOM 836 CD1 LEU A 59 6.899 -5.872 -8.598 1.00 1.07 C ATOM 837 CD2 LEU A 59 7.053 -3.646 -7.403 1.00 1.34 C ATOM 0 H LEU A 59 6.920 -3.766 -12.248 1.00 0.50 H new ATOM 0 HA LEU A 59 5.296 -5.397 -10.553 1.00 0.47 H new ATOM 0 HB2 LEU A 59 7.381 -3.702 -10.171 1.00 0.53 H new ATOM 0 HB3 LEU A 59 6.073 -2.659 -9.649 1.00 0.53 H new ATOM 0 HG LEU A 59 5.247 -4.569 -8.161 1.00 0.71 H new ATOM 0 HD11 LEU A 59 6.840 -6.388 -7.639 1.00 1.07 H new ATOM 0 HD12 LEU A 59 6.344 -6.436 -9.348 1.00 1.07 H new ATOM 0 HD13 LEU A 59 7.942 -5.791 -8.903 1.00 1.07 H new ATOM 0 HD21 LEU A 59 7.014 -4.169 -6.447 1.00 1.34 H new ATOM 0 HD22 LEU A 59 8.092 -3.532 -7.712 1.00 1.34 H new ATOM 0 HD23 LEU A 59 6.596 -2.662 -7.297 1.00 1.34 H new ATOM 849 N SER A 60 3.800 -2.873 -11.863 1.00 0.43 N ATOM 850 CA SER A 60 2.473 -2.206 -11.993 1.00 0.42 C ATOM 851 C SER A 60 1.477 -3.241 -12.527 1.00 0.39 C ATOM 852 O SER A 60 0.323 -3.271 -12.147 1.00 0.41 O ATOM 853 CB SER A 60 2.590 -1.056 -12.997 1.00 0.47 C ATOM 854 OG SER A 60 2.439 -1.566 -14.314 1.00 1.36 O ATOM 0 H SER A 60 4.465 -2.656 -12.605 1.00 0.43 H new ATOM 0 HA SER A 60 2.141 -1.816 -11.031 1.00 0.42 H new ATOM 0 HB2 SER A 60 1.827 -0.304 -12.796 1.00 0.47 H new ATOM 0 HB3 SER A 60 3.557 -0.565 -12.894 1.00 0.47 H new ATOM 0 HG SER A 60 3.189 -2.161 -14.522 1.00 1.36 H new ATOM 860 N GLU A 61 1.941 -4.104 -13.395 1.00 0.38 N ATOM 861 CA GLU A 61 1.066 -5.173 -13.960 1.00 0.38 C ATOM 862 C GLU A 61 0.508 -6.039 -12.822 1.00 0.38 C ATOM 863 O GLU A 61 -0.633 -6.458 -12.858 1.00 0.41 O ATOM 864 CB GLU A 61 1.880 -6.050 -14.917 1.00 0.39 C ATOM 865 CG GLU A 61 1.030 -7.243 -15.376 1.00 1.06 C ATOM 866 CD GLU A 61 1.633 -7.849 -16.645 1.00 1.67 C ATOM 867 OE1 GLU A 61 2.558 -8.634 -16.520 1.00 2.25 O ATOM 868 OE2 GLU A 61 1.158 -7.519 -17.719 1.00 2.40 O ATOM 0 H GLU A 61 2.901 -4.112 -13.740 1.00 0.38 H new ATOM 0 HA GLU A 61 0.240 -4.713 -14.502 1.00 0.38 H new ATOM 0 HB2 GLU A 61 2.199 -5.465 -15.780 1.00 0.39 H new ATOM 0 HB3 GLU A 61 2.784 -6.404 -14.421 1.00 0.39 H new ATOM 0 HG2 GLU A 61 0.986 -7.995 -14.588 1.00 1.06 H new ATOM 0 HG3 GLU A 61 0.006 -6.921 -15.567 1.00 1.06 H new ATOM 875 N CYS A 62 1.285 -6.305 -11.811 1.00 0.37 N ATOM 876 CA CYS A 62 0.765 -7.134 -10.682 1.00 0.39 C ATOM 877 C CYS A 62 -0.331 -6.351 -9.945 1.00 0.38 C ATOM 878 O CYS A 62 -1.458 -6.795 -9.842 1.00 0.44 O ATOM 879 CB CYS A 62 1.909 -7.456 -9.719 1.00 0.41 C ATOM 880 SG CYS A 62 3.168 -8.426 -10.586 1.00 1.62 S ATOM 0 H CYS A 62 2.250 -5.989 -11.714 1.00 0.37 H new ATOM 0 HA CYS A 62 0.349 -8.065 -11.068 1.00 0.39 H new ATOM 0 HB2 CYS A 62 2.345 -6.534 -9.334 1.00 0.41 H new ATOM 0 HB3 CYS A 62 1.532 -8.013 -8.861 1.00 0.41 H new ATOM 0 HG CYS A 62 4.143 -8.699 -9.771 1.00 1.62 H new ATOM 886 N LEU A 63 -0.024 -5.179 -9.465 1.00 0.35 N ATOM 887 CA LEU A 63 -1.050 -4.341 -8.773 1.00 0.36 C ATOM 888 C LEU A 63 -2.229 -4.067 -9.724 1.00 0.36 C ATOM 889 O LEU A 63 -3.350 -3.876 -9.293 1.00 0.41 O ATOM 890 CB LEU A 63 -0.387 -3.015 -8.362 1.00 0.38 C ATOM 891 CG LEU A 63 0.331 -3.204 -7.019 1.00 0.69 C ATOM 892 CD1 LEU A 63 1.335 -4.353 -7.131 1.00 1.39 C ATOM 893 CD2 LEU A 63 1.066 -1.917 -6.639 1.00 1.11 C ATOM 0 H LEU A 63 0.904 -4.759 -9.522 1.00 0.35 H new ATOM 0 HA LEU A 63 -1.430 -4.859 -7.893 1.00 0.36 H new ATOM 0 HB2 LEU A 63 0.323 -2.698 -9.126 1.00 0.38 H new ATOM 0 HB3 LEU A 63 -1.138 -2.230 -8.279 1.00 0.38 H new ATOM 0 HG LEU A 63 -0.404 -3.439 -6.249 1.00 0.69 H new ATOM 0 HD11 LEU A 63 1.844 -4.486 -6.176 1.00 1.39 H new ATOM 0 HD12 LEU A 63 0.809 -5.271 -7.393 1.00 1.39 H new ATOM 0 HD13 LEU A 63 2.068 -4.122 -7.904 1.00 1.39 H new ATOM 0 HD21 LEU A 63 1.574 -2.056 -5.685 1.00 1.11 H new ATOM 0 HD22 LEU A 63 1.799 -1.676 -7.409 1.00 1.11 H new ATOM 0 HD23 LEU A 63 0.349 -1.101 -6.552 1.00 1.11 H new ATOM 905 N LYS A 64 -1.989 -4.032 -11.003 1.00 0.35 N ATOM 906 CA LYS A 64 -3.096 -3.757 -11.965 1.00 0.37 C ATOM 907 C LYS A 64 -3.975 -5.006 -12.132 1.00 0.39 C ATOM 908 O LYS A 64 -5.187 -4.924 -12.143 1.00 0.43 O ATOM 909 CB LYS A 64 -2.490 -3.368 -13.317 1.00 0.38 C ATOM 910 CG LYS A 64 -3.580 -3.231 -14.389 1.00 0.82 C ATOM 911 CD LYS A 64 -4.660 -2.246 -13.927 1.00 1.35 C ATOM 912 CE LYS A 64 -5.499 -1.808 -15.128 1.00 1.38 C ATOM 913 NZ LYS A 64 -4.739 -0.813 -15.938 1.00 2.09 N ATOM 0 H LYS A 64 -1.073 -4.182 -11.427 1.00 0.35 H new ATOM 0 HA LYS A 64 -3.715 -2.944 -11.586 1.00 0.37 H new ATOM 0 HB2 LYS A 64 -1.950 -2.426 -13.220 1.00 0.38 H new ATOM 0 HB3 LYS A 64 -1.765 -4.121 -13.625 1.00 0.38 H new ATOM 0 HG2 LYS A 64 -3.139 -2.885 -15.324 1.00 0.82 H new ATOM 0 HG3 LYS A 64 -4.028 -4.205 -14.589 1.00 0.82 H new ATOM 0 HD2 LYS A 64 -5.297 -2.714 -13.176 1.00 1.35 H new ATOM 0 HD3 LYS A 64 -4.198 -1.378 -13.457 1.00 1.35 H new ATOM 0 HE2 LYS A 64 -5.752 -2.673 -15.741 1.00 1.38 H new ATOM 0 HE3 LYS A 64 -6.438 -1.372 -14.788 1.00 1.38 H new ATOM 0 HZ1 LYS A 64 -5.218 0.109 -15.894 1.00 2.09 H new ATOM 0 HZ2 LYS A 64 -3.775 -0.721 -15.559 1.00 2.09 H new ATOM 0 HZ3 LYS A 64 -4.693 -1.133 -16.927 1.00 2.09 H new ATOM 927 N ARG A 65 -3.374 -6.155 -12.280 1.00 0.43 N ATOM 928 CA ARG A 65 -4.171 -7.406 -12.467 1.00 0.47 C ATOM 929 C ARG A 65 -5.023 -7.695 -11.223 1.00 0.50 C ATOM 930 O ARG A 65 -6.146 -8.149 -11.327 1.00 0.54 O ATOM 931 CB ARG A 65 -3.206 -8.587 -12.718 1.00 0.45 C ATOM 932 CG ARG A 65 -2.935 -8.745 -14.220 1.00 0.94 C ATOM 933 CD ARG A 65 -2.132 -10.026 -14.458 1.00 1.55 C ATOM 934 NE ARG A 65 -1.945 -10.246 -15.932 1.00 1.86 N ATOM 935 CZ ARG A 65 -2.963 -10.347 -16.749 1.00 2.39 C ATOM 936 NH1 ARG A 65 -4.179 -10.455 -16.288 1.00 2.94 N ATOM 937 NH2 ARG A 65 -2.755 -10.395 -18.036 1.00 2.92 N ATOM 0 H ARG A 65 -2.362 -6.284 -12.280 1.00 0.43 H new ATOM 0 HA ARG A 65 -4.836 -7.278 -13.321 1.00 0.47 H new ATOM 0 HB2 ARG A 65 -2.268 -8.418 -12.188 1.00 0.45 H new ATOM 0 HB3 ARG A 65 -3.635 -9.507 -12.320 1.00 0.45 H new ATOM 0 HG2 ARG A 65 -3.876 -8.785 -14.769 1.00 0.94 H new ATOM 0 HG3 ARG A 65 -2.384 -7.882 -14.594 1.00 0.94 H new ATOM 0 HD2 ARG A 65 -1.162 -9.954 -13.966 1.00 1.55 H new ATOM 0 HD3 ARG A 65 -2.650 -10.878 -14.017 1.00 1.55 H new ATOM 0 HE ARG A 65 -0.999 -10.319 -16.307 1.00 1.86 H new ATOM 0 HH11 ARG A 65 -4.344 -10.461 -15.281 1.00 2.94 H new ATOM 0 HH12 ARG A 65 -4.964 -10.533 -16.934 1.00 2.94 H new ATOM 0 HH21 ARG A 65 -1.803 -10.354 -18.401 1.00 2.92 H new ATOM 0 HH22 ARG A 65 -3.544 -10.474 -18.678 1.00 2.92 H new ATOM 951 N ILE A 66 -4.508 -7.446 -10.052 1.00 0.49 N ATOM 952 CA ILE A 66 -5.305 -7.723 -8.821 1.00 0.53 C ATOM 953 C ILE A 66 -6.257 -6.554 -8.563 1.00 0.54 C ATOM 954 O ILE A 66 -7.355 -6.727 -8.078 1.00 0.60 O ATOM 955 CB ILE A 66 -4.357 -7.884 -7.632 1.00 0.52 C ATOM 956 CG1 ILE A 66 -5.157 -8.281 -6.390 1.00 1.22 C ATOM 957 CG2 ILE A 66 -3.639 -6.559 -7.376 1.00 1.29 C ATOM 958 CD1 ILE A 66 -4.197 -8.588 -5.240 1.00 1.25 C ATOM 0 H ILE A 66 -3.575 -7.065 -9.892 1.00 0.49 H new ATOM 0 HA ILE A 66 -5.881 -8.639 -8.953 1.00 0.53 H new ATOM 0 HB ILE A 66 -3.624 -8.660 -7.852 1.00 0.52 H new ATOM 0 HG12 ILE A 66 -5.833 -7.474 -6.107 1.00 1.22 H new ATOM 0 HG13 ILE A 66 -5.774 -9.154 -6.605 1.00 1.22 H new ATOM 0 HG21 ILE A 66 -2.962 -6.670 -6.529 1.00 1.29 H new ATOM 0 HG22 ILE A 66 -3.069 -6.277 -8.261 1.00 1.29 H new ATOM 0 HG23 ILE A 66 -4.373 -5.784 -7.155 1.00 1.29 H new ATOM 0 HD11 ILE A 66 -4.768 -8.871 -4.355 1.00 1.25 H new ATOM 0 HD12 ILE A 66 -3.539 -9.409 -5.525 1.00 1.25 H new ATOM 0 HD13 ILE A 66 -3.599 -7.704 -5.019 1.00 1.25 H new ATOM 970 N GLY A 67 -5.846 -5.367 -8.905 1.00 0.52 N ATOM 971 CA GLY A 67 -6.725 -4.184 -8.700 1.00 0.55 C ATOM 972 C GLY A 67 -7.950 -4.290 -9.609 1.00 0.53 C ATOM 973 O GLY A 67 -9.010 -3.791 -9.287 1.00 0.63 O ATOM 0 H GLY A 67 -4.936 -5.164 -9.319 1.00 0.52 H new ATOM 0 HA2 GLY A 67 -7.037 -4.127 -7.657 1.00 0.55 H new ATOM 0 HA3 GLY A 67 -6.176 -3.268 -8.919 1.00 0.55 H new ATOM 977 N ASP A 68 -7.824 -4.914 -10.749 1.00 0.54 N ATOM 978 CA ASP A 68 -8.992 -5.019 -11.673 1.00 0.54 C ATOM 979 C ASP A 68 -9.908 -6.177 -11.258 1.00 0.52 C ATOM 980 O ASP A 68 -11.107 -6.123 -11.446 1.00 0.56 O ATOM 981 CB ASP A 68 -8.476 -5.268 -13.091 1.00 0.60 C ATOM 982 CG ASP A 68 -9.652 -5.298 -14.068 1.00 1.43 C ATOM 983 OD1 ASP A 68 -10.075 -4.234 -14.488 1.00 2.12 O ATOM 984 OD2 ASP A 68 -10.108 -6.385 -14.380 1.00 2.20 O ATOM 0 H ASP A 68 -6.966 -5.355 -11.081 1.00 0.54 H new ATOM 0 HA ASP A 68 -9.564 -4.092 -11.632 1.00 0.54 H new ATOM 0 HB2 ASP A 68 -7.774 -4.485 -13.376 1.00 0.60 H new ATOM 0 HB3 ASP A 68 -7.933 -6.212 -13.131 1.00 0.60 H new ATOM 989 N GLU A 69 -9.361 -7.228 -10.708 1.00 0.56 N ATOM 990 CA GLU A 69 -10.220 -8.381 -10.302 1.00 0.56 C ATOM 991 C GLU A 69 -10.943 -8.046 -8.995 1.00 0.55 C ATOM 992 O GLU A 69 -12.149 -8.160 -8.896 1.00 0.73 O ATOM 993 CB GLU A 69 -9.344 -9.622 -10.111 1.00 0.61 C ATOM 994 CG GLU A 69 -10.224 -10.871 -10.047 1.00 0.84 C ATOM 995 CD GLU A 69 -10.783 -11.173 -11.438 1.00 1.65 C ATOM 996 OE1 GLU A 69 -10.317 -10.564 -12.387 1.00 2.23 O ATOM 997 OE2 GLU A 69 -11.668 -12.007 -11.531 1.00 2.48 O ATOM 0 H GLU A 69 -8.364 -7.339 -10.523 1.00 0.56 H new ATOM 0 HA GLU A 69 -10.960 -8.578 -11.077 1.00 0.56 H new ATOM 0 HB2 GLU A 69 -8.634 -9.708 -10.934 1.00 0.61 H new ATOM 0 HB3 GLU A 69 -8.761 -9.529 -9.195 1.00 0.61 H new ATOM 0 HG2 GLU A 69 -9.644 -11.720 -9.685 1.00 0.84 H new ATOM 0 HG3 GLU A 69 -11.040 -10.718 -9.341 1.00 0.84 H new ATOM 1004 N LEU A 70 -10.221 -7.636 -7.994 1.00 0.53 N ATOM 1005 CA LEU A 70 -10.864 -7.293 -6.695 1.00 0.52 C ATOM 1006 C LEU A 70 -11.873 -6.158 -6.864 1.00 0.54 C ATOM 1007 O LEU A 70 -12.911 -6.144 -6.234 1.00 0.60 O ATOM 1008 CB LEU A 70 -9.792 -6.815 -5.701 1.00 0.61 C ATOM 1009 CG LEU A 70 -8.733 -7.902 -5.426 1.00 0.70 C ATOM 1010 CD1 LEU A 70 -7.886 -7.451 -4.236 1.00 1.38 C ATOM 1011 CD2 LEU A 70 -9.398 -9.249 -5.100 1.00 1.61 C ATOM 0 H LEU A 70 -9.208 -7.522 -8.018 1.00 0.53 H new ATOM 0 HA LEU A 70 -11.372 -8.186 -6.330 1.00 0.52 H new ATOM 0 HB2 LEU A 70 -9.303 -5.924 -6.096 1.00 0.61 H new ATOM 0 HB3 LEU A 70 -10.269 -6.528 -4.764 1.00 0.61 H new ATOM 0 HG LEU A 70 -8.115 -8.037 -6.314 1.00 0.70 H new ATOM 0 HD11 LEU A 70 -7.129 -8.205 -4.022 1.00 1.38 H new ATOM 0 HD12 LEU A 70 -7.399 -6.505 -4.473 1.00 1.38 H new ATOM 0 HD13 LEU A 70 -8.525 -7.321 -3.363 1.00 1.38 H new ATOM 0 HD21 LEU A 70 -8.629 -9.998 -4.910 1.00 1.61 H new ATOM 0 HD22 LEU A 70 -10.025 -9.140 -4.215 1.00 1.61 H new ATOM 0 HD23 LEU A 70 -10.012 -9.565 -5.943 1.00 1.61 H new ATOM 1023 N ASP A 71 -11.566 -5.181 -7.676 1.00 0.67 N ATOM 1024 CA ASP A 71 -12.510 -4.038 -7.825 1.00 0.91 C ATOM 1025 C ASP A 71 -13.845 -4.523 -8.397 1.00 1.02 C ATOM 1026 O ASP A 71 -14.804 -3.776 -8.408 1.00 1.29 O ATOM 1027 CB ASP A 71 -11.910 -2.961 -8.734 1.00 1.09 C ATOM 1028 CG ASP A 71 -10.813 -2.202 -7.988 1.00 1.66 C ATOM 1029 OD1 ASP A 71 -10.182 -2.799 -7.132 1.00 2.25 O ATOM 1030 OD2 ASP A 71 -10.621 -1.035 -8.290 1.00 2.36 O ATOM 0 H ASP A 71 -10.715 -5.125 -8.235 1.00 0.67 H new ATOM 0 HA ASP A 71 -12.684 -3.605 -6.840 1.00 0.91 H new ATOM 0 HB2 ASP A 71 -11.500 -3.420 -9.634 1.00 1.09 H new ATOM 0 HB3 ASP A 71 -12.689 -2.269 -9.056 1.00 1.09 H new ATOM 1035 N SER A 72 -13.944 -5.759 -8.849 1.00 0.90 N ATOM 1036 CA SER A 72 -15.263 -6.250 -9.387 1.00 1.20 C ATOM 1037 C SER A 72 -15.924 -7.139 -8.330 1.00 0.98 C ATOM 1038 O SER A 72 -16.906 -7.809 -8.582 1.00 1.02 O ATOM 1039 CB SER A 72 -15.067 -7.011 -10.698 1.00 1.57 C ATOM 1040 OG SER A 72 -16.299 -7.604 -11.088 1.00 2.09 O ATOM 0 H SER A 72 -13.183 -6.438 -8.869 1.00 0.90 H new ATOM 0 HA SER A 72 -15.910 -5.399 -9.601 1.00 1.20 H new ATOM 0 HB2 SER A 72 -14.715 -6.333 -11.476 1.00 1.57 H new ATOM 0 HB3 SER A 72 -14.304 -7.779 -10.575 1.00 1.57 H new ATOM 0 HG SER A 72 -16.927 -7.578 -10.336 1.00 2.09 H new ATOM 1046 N ASN A 73 -15.407 -7.102 -7.132 1.00 0.92 N ATOM 1047 CA ASN A 73 -16.002 -7.884 -6.014 1.00 0.83 C ATOM 1048 C ASN A 73 -17.157 -7.068 -5.428 1.00 0.75 C ATOM 1049 O ASN A 73 -16.972 -5.971 -4.940 1.00 1.07 O ATOM 1050 CB ASN A 73 -14.935 -8.106 -4.932 1.00 0.91 C ATOM 1051 CG ASN A 73 -15.393 -9.210 -3.974 1.00 1.43 C ATOM 1052 OD1 ASN A 73 -14.618 -10.068 -3.603 1.00 2.29 O ATOM 1053 ND2 ASN A 73 -16.630 -9.224 -3.558 1.00 1.90 N ATOM 0 H ASN A 73 -14.585 -6.554 -6.878 1.00 0.92 H new ATOM 0 HA ASN A 73 -16.361 -8.850 -6.369 1.00 0.83 H new ATOM 0 HB2 ASN A 73 -13.987 -8.382 -5.394 1.00 0.91 H new ATOM 0 HB3 ASN A 73 -14.764 -7.181 -4.381 1.00 0.91 H new ATOM 0 HD21 ASN A 73 -16.946 -9.956 -2.921 1.00 1.90 H new ATOM 0 HD22 ASN A 73 -17.281 -8.503 -3.870 1.00 1.90 H new ATOM 1060 N MET A 74 -18.356 -7.588 -5.498 1.00 0.71 N ATOM 1061 CA MET A 74 -19.534 -6.836 -4.974 1.00 0.67 C ATOM 1062 C MET A 74 -19.657 -7.021 -3.461 1.00 0.67 C ATOM 1063 O MET A 74 -20.316 -6.260 -2.781 1.00 0.71 O ATOM 1064 CB MET A 74 -20.809 -7.331 -5.659 1.00 0.75 C ATOM 1065 CG MET A 74 -20.706 -7.097 -7.168 1.00 1.20 C ATOM 1066 SD MET A 74 -20.777 -5.321 -7.511 1.00 1.92 S ATOM 1067 CE MET A 74 -19.751 -5.334 -9.001 1.00 1.96 C ATOM 0 H MET A 74 -18.569 -8.502 -5.896 1.00 0.71 H new ATOM 0 HA MET A 74 -19.395 -5.776 -5.187 1.00 0.67 H new ATOM 0 HB2 MET A 74 -20.955 -8.392 -5.455 1.00 0.75 H new ATOM 0 HB3 MET A 74 -21.676 -6.807 -5.258 1.00 0.75 H new ATOM 0 HG2 MET A 74 -19.774 -7.514 -7.548 1.00 1.20 H new ATOM 0 HG3 MET A 74 -21.518 -7.610 -7.682 1.00 1.20 H new ATOM 0 HE1 MET A 74 -19.660 -4.319 -9.389 1.00 1.96 H new ATOM 0 HE2 MET A 74 -18.761 -5.720 -8.758 1.00 1.96 H new ATOM 0 HE3 MET A 74 -20.213 -5.971 -9.755 1.00 1.96 H new ATOM 1077 N GLU A 75 -19.014 -8.023 -2.932 1.00 0.70 N ATOM 1078 CA GLU A 75 -19.066 -8.270 -1.467 1.00 0.75 C ATOM 1079 C GLU A 75 -18.052 -7.360 -0.769 1.00 0.73 C ATOM 1080 O GLU A 75 -18.388 -6.630 0.143 1.00 0.78 O ATOM 1081 CB GLU A 75 -18.719 -9.738 -1.193 1.00 0.87 C ATOM 1082 CG GLU A 75 -19.174 -10.119 0.215 1.00 1.15 C ATOM 1083 CD GLU A 75 -18.726 -11.547 0.529 1.00 1.70 C ATOM 1084 OE1 GLU A 75 -17.541 -11.741 0.749 1.00 2.29 O ATOM 1085 OE2 GLU A 75 -19.574 -12.424 0.545 1.00 2.21 O ATOM 0 H GLU A 75 -18.448 -8.688 -3.459 1.00 0.70 H new ATOM 0 HA GLU A 75 -20.065 -8.057 -1.087 1.00 0.75 H new ATOM 0 HB2 GLU A 75 -19.204 -10.380 -1.929 1.00 0.87 H new ATOM 0 HB3 GLU A 75 -17.645 -9.893 -1.293 1.00 0.87 H new ATOM 0 HG2 GLU A 75 -18.753 -9.426 0.944 1.00 1.15 H new ATOM 0 HG3 GLU A 75 -20.259 -10.042 0.291 1.00 1.15 H new ATOM 1092 N LEU A 76 -16.820 -7.392 -1.187 1.00 0.74 N ATOM 1093 CA LEU A 76 -15.796 -6.522 -0.542 1.00 0.80 C ATOM 1094 C LEU A 76 -16.040 -5.058 -0.922 1.00 0.75 C ATOM 1095 O LEU A 76 -15.655 -4.153 -0.209 1.00 0.81 O ATOM 1096 CB LEU A 76 -14.394 -6.949 -0.984 1.00 0.92 C ATOM 1097 CG LEU A 76 -13.333 -6.355 -0.034 1.00 1.00 C ATOM 1098 CD1 LEU A 76 -13.106 -7.296 1.155 1.00 1.57 C ATOM 1099 CD2 LEU A 76 -12.011 -6.173 -0.788 1.00 1.51 C ATOM 0 H LEU A 76 -16.476 -7.981 -1.946 1.00 0.74 H new ATOM 0 HA LEU A 76 -15.874 -6.626 0.540 1.00 0.80 H new ATOM 0 HB2 LEU A 76 -14.321 -8.037 -0.988 1.00 0.92 H new ATOM 0 HB3 LEU A 76 -14.208 -6.613 -2.004 1.00 0.92 H new ATOM 0 HG LEU A 76 -13.687 -5.390 0.330 1.00 1.00 H new ATOM 0 HD11 LEU A 76 -12.356 -6.868 1.820 1.00 1.57 H new ATOM 0 HD12 LEU A 76 -14.041 -7.426 1.700 1.00 1.57 H new ATOM 0 HD13 LEU A 76 -12.760 -8.264 0.792 1.00 1.57 H new ATOM 0 HD21 LEU A 76 -11.263 -5.753 -0.115 1.00 1.51 H new ATOM 0 HD22 LEU A 76 -11.666 -7.139 -1.156 1.00 1.51 H new ATOM 0 HD23 LEU A 76 -12.162 -5.497 -1.629 1.00 1.51 H new ATOM 1111 N GLN A 77 -16.700 -4.814 -2.019 1.00 0.76 N ATOM 1112 CA GLN A 77 -16.990 -3.404 -2.412 1.00 0.74 C ATOM 1113 C GLN A 77 -18.226 -2.935 -1.642 1.00 0.71 C ATOM 1114 O GLN A 77 -18.363 -1.771 -1.312 1.00 0.72 O ATOM 1115 CB GLN A 77 -17.253 -3.326 -3.919 1.00 0.71 C ATOM 1116 CG GLN A 77 -17.505 -1.871 -4.322 1.00 1.26 C ATOM 1117 CD GLN A 77 -17.611 -1.775 -5.846 1.00 1.59 C ATOM 1118 OE1 GLN A 77 -18.348 -2.518 -6.463 1.00 2.35 O ATOM 1119 NE2 GLN A 77 -16.902 -0.883 -6.482 1.00 2.03 N ATOM 0 H GLN A 77 -17.051 -5.526 -2.660 1.00 0.76 H new ATOM 0 HA GLN A 77 -16.138 -2.767 -2.176 1.00 0.74 H new ATOM 0 HB2 GLN A 77 -16.399 -3.723 -4.468 1.00 0.71 H new ATOM 0 HB3 GLN A 77 -18.114 -3.941 -4.180 1.00 0.71 H new ATOM 0 HG2 GLN A 77 -18.423 -1.508 -3.859 1.00 1.26 H new ATOM 0 HG3 GLN A 77 -16.694 -1.237 -3.962 1.00 1.26 H new ATOM 0 HE21 GLN A 77 -16.283 -0.259 -5.964 1.00 2.03 H new ATOM 0 HE22 GLN A 77 -16.967 -0.810 -7.497 1.00 2.03 H new ATOM 1128 N ARG A 78 -19.117 -3.833 -1.329 1.00 0.72 N ATOM 1129 CA ARG A 78 -20.328 -3.434 -0.564 1.00 0.73 C ATOM 1130 C ARG A 78 -19.931 -3.133 0.885 1.00 0.75 C ATOM 1131 O ARG A 78 -20.477 -2.247 1.513 1.00 0.79 O ATOM 1132 CB ARG A 78 -21.355 -4.573 -0.596 1.00 0.74 C ATOM 1133 CG ARG A 78 -22.457 -4.312 0.441 1.00 0.94 C ATOM 1134 CD ARG A 78 -23.680 -5.175 0.125 1.00 1.23 C ATOM 1135 NE ARG A 78 -24.186 -4.872 -1.257 1.00 1.80 N ATOM 1136 CZ ARG A 78 -24.546 -3.665 -1.613 1.00 2.50 C ATOM 1137 NH1 ARG A 78 -24.652 -2.713 -0.727 1.00 2.83 N ATOM 1138 NH2 ARG A 78 -24.858 -3.425 -2.857 1.00 3.41 N ATOM 0 H ARG A 78 -19.059 -4.823 -1.569 1.00 0.72 H new ATOM 0 HA ARG A 78 -20.770 -2.544 -1.012 1.00 0.73 H new ATOM 0 HB2 ARG A 78 -21.792 -4.653 -1.591 1.00 0.74 H new ATOM 0 HB3 ARG A 78 -20.864 -5.523 -0.386 1.00 0.74 H new ATOM 0 HG2 ARG A 78 -22.089 -4.539 1.442 1.00 0.94 H new ATOM 0 HG3 ARG A 78 -22.733 -3.258 0.435 1.00 0.94 H new ATOM 0 HD2 ARG A 78 -23.419 -6.230 0.201 1.00 1.23 H new ATOM 0 HD3 ARG A 78 -24.466 -4.987 0.857 1.00 1.23 H new ATOM 0 HE ARG A 78 -24.251 -5.629 -1.938 1.00 1.80 H new ATOM 0 HH11 ARG A 78 -24.453 -2.906 0.255 1.00 2.83 H new ATOM 0 HH12 ARG A 78 -24.933 -1.776 -1.016 1.00 2.83 H new ATOM 0 HH21 ARG A 78 -24.821 -4.176 -3.546 1.00 3.41 H new ATOM 0 HH22 ARG A 78 -25.139 -2.486 -3.140 1.00 3.41 H new ATOM 1152 N MET A 79 -18.989 -3.857 1.426 1.00 0.75 N ATOM 1153 CA MET A 79 -18.574 -3.598 2.832 1.00 0.77 C ATOM 1154 C MET A 79 -17.932 -2.214 2.923 1.00 0.77 C ATOM 1155 O MET A 79 -18.243 -1.433 3.800 1.00 0.78 O ATOM 1156 CB MET A 79 -17.566 -4.662 3.275 1.00 0.81 C ATOM 1157 CG MET A 79 -18.284 -6.001 3.467 1.00 1.08 C ATOM 1158 SD MET A 79 -17.141 -7.200 4.199 1.00 1.07 S ATOM 1159 CE MET A 79 -17.532 -6.862 5.934 1.00 0.81 C ATOM 0 H MET A 79 -18.491 -4.613 0.957 1.00 0.75 H new ATOM 0 HA MET A 79 -19.448 -3.638 3.483 1.00 0.77 H new ATOM 0 HB2 MET A 79 -16.778 -4.764 2.529 1.00 0.81 H new ATOM 0 HB3 MET A 79 -17.086 -4.358 4.206 1.00 0.81 H new ATOM 0 HG2 MET A 79 -19.153 -5.871 4.112 1.00 1.08 H new ATOM 0 HG3 MET A 79 -18.650 -6.370 2.509 1.00 1.08 H new ATOM 0 HE1 MET A 79 -16.832 -7.398 6.576 1.00 0.81 H new ATOM 0 HE2 MET A 79 -17.451 -5.792 6.123 1.00 0.81 H new ATOM 0 HE3 MET A 79 -18.548 -7.193 6.149 1.00 0.81 H new ATOM 1169 N ILE A 80 -17.043 -1.898 2.021 1.00 0.77 N ATOM 1170 CA ILE A 80 -16.396 -0.558 2.064 1.00 0.80 C ATOM 1171 C ILE A 80 -17.486 0.513 2.052 1.00 0.80 C ATOM 1172 O ILE A 80 -17.329 1.581 2.609 1.00 0.83 O ATOM 1173 CB ILE A 80 -15.483 -0.386 0.848 1.00 0.82 C ATOM 1174 CG1 ILE A 80 -14.347 -1.408 0.922 1.00 0.84 C ATOM 1175 CG2 ILE A 80 -14.895 1.027 0.845 1.00 0.89 C ATOM 1176 CD1 ILE A 80 -13.576 -1.414 -0.399 1.00 1.10 C ATOM 0 H ILE A 80 -16.739 -2.506 1.261 1.00 0.77 H new ATOM 0 HA ILE A 80 -15.796 -0.463 2.969 1.00 0.80 H new ATOM 0 HB ILE A 80 -16.058 -0.541 -0.065 1.00 0.82 H new ATOM 0 HG12 ILE A 80 -13.676 -1.162 1.745 1.00 0.84 H new ATOM 0 HG13 ILE A 80 -14.750 -2.400 1.124 1.00 0.84 H new ATOM 0 HG21 ILE A 80 -14.245 1.149 -0.021 1.00 0.89 H new ATOM 0 HG22 ILE A 80 -15.703 1.757 0.798 1.00 0.89 H new ATOM 0 HG23 ILE A 80 -14.318 1.183 1.756 1.00 0.89 H new ATOM 0 HD11 ILE A 80 -12.767 -2.143 -0.345 1.00 1.10 H new ATOM 0 HD12 ILE A 80 -14.250 -1.681 -1.213 1.00 1.10 H new ATOM 0 HD13 ILE A 80 -13.160 -0.423 -0.582 1.00 1.10 H new ATOM 1188 N ALA A 81 -18.598 0.227 1.427 1.00 0.78 N ATOM 1189 CA ALA A 81 -19.707 1.223 1.390 1.00 0.80 C ATOM 1190 C ALA A 81 -20.379 1.272 2.765 1.00 0.81 C ATOM 1191 O ALA A 81 -21.054 2.224 3.104 1.00 0.85 O ATOM 1192 CB ALA A 81 -20.732 0.814 0.329 1.00 0.79 C ATOM 0 H ALA A 81 -18.785 -0.651 0.942 1.00 0.78 H new ATOM 0 HA ALA A 81 -19.310 2.207 1.140 1.00 0.80 H new ATOM 0 HB1 ALA A 81 -21.541 1.544 0.304 1.00 0.79 H new ATOM 0 HB2 ALA A 81 -20.249 0.775 -0.647 1.00 0.79 H new ATOM 0 HB3 ALA A 81 -21.137 -0.168 0.573 1.00 0.79 H new ATOM 1198 N ALA A 82 -20.188 0.256 3.563 1.00 0.78 N ATOM 1199 CA ALA A 82 -20.802 0.241 4.921 1.00 0.80 C ATOM 1200 C ALA A 82 -19.948 1.081 5.872 1.00 0.79 C ATOM 1201 O ALA A 82 -20.377 1.448 6.948 1.00 0.83 O ATOM 1202 CB ALA A 82 -20.864 -1.198 5.437 1.00 0.87 C ATOM 0 H ALA A 82 -19.631 -0.567 3.331 1.00 0.78 H new ATOM 0 HA ALA A 82 -21.809 0.654 4.869 1.00 0.80 H new ATOM 0 HB1 ALA A 82 -21.313 -1.209 6.430 1.00 0.87 H new ATOM 0 HB2 ALA A 82 -21.467 -1.802 4.759 1.00 0.87 H new ATOM 0 HB3 ALA A 82 -19.856 -1.609 5.490 1.00 0.87 H new ATOM 1208 N VAL A 83 -18.748 1.407 5.476 1.00 0.80 N ATOM 1209 CA VAL A 83 -17.872 2.243 6.345 1.00 0.85 C ATOM 1210 C VAL A 83 -18.192 3.720 6.111 1.00 0.99 C ATOM 1211 O VAL A 83 -17.533 4.416 5.364 1.00 1.36 O ATOM 1212 CB VAL A 83 -16.396 1.976 6.027 1.00 0.97 C ATOM 1213 CG1 VAL A 83 -15.507 2.689 7.048 1.00 1.81 C ATOM 1214 CG2 VAL A 83 -16.115 0.472 6.074 1.00 1.40 C ATOM 0 H VAL A 83 -18.335 1.130 4.585 1.00 0.80 H new ATOM 0 HA VAL A 83 -18.055 1.988 7.389 1.00 0.85 H new ATOM 0 HB VAL A 83 -16.178 2.354 5.028 1.00 0.97 H new ATOM 0 HG11 VAL A 83 -14.460 2.495 6.817 1.00 1.81 H new ATOM 0 HG12 VAL A 83 -15.695 3.762 7.008 1.00 1.81 H new ATOM 0 HG13 VAL A 83 -15.732 2.318 8.048 1.00 1.81 H new ATOM 0 HG21 VAL A 83 -15.064 0.291 5.847 1.00 1.40 H new ATOM 0 HG22 VAL A 83 -16.342 0.090 7.069 1.00 1.40 H new ATOM 0 HG23 VAL A 83 -16.738 -0.038 5.339 1.00 1.40 H new ATOM 1224 N ASP A 84 -19.191 4.197 6.809 1.00 1.46 N ATOM 1225 CA ASP A 84 -19.586 5.629 6.734 1.00 1.71 C ATOM 1226 C ASP A 84 -18.730 6.390 7.750 1.00 1.39 C ATOM 1227 O ASP A 84 -17.534 6.529 7.591 1.00 1.80 O ATOM 1228 CB ASP A 84 -21.067 5.756 7.108 1.00 2.38 C ATOM 1229 CG ASP A 84 -21.493 7.224 7.042 1.00 2.99 C ATOM 1230 OD1 ASP A 84 -20.904 7.957 6.265 1.00 3.57 O ATOM 1231 OD2 ASP A 84 -22.403 7.589 7.769 1.00 3.45 O ATOM 0 H ASP A 84 -19.761 3.636 7.442 1.00 1.46 H new ATOM 0 HA ASP A 84 -19.438 6.030 5.731 1.00 1.71 H new ATOM 0 HB2 ASP A 84 -21.676 5.160 6.428 1.00 2.38 H new ATOM 0 HB3 ASP A 84 -21.233 5.364 8.111 1.00 2.38 H new ATOM 1236 N THR A 85 -19.343 6.910 8.783 1.00 1.68 N ATOM 1237 CA THR A 85 -18.575 7.689 9.798 1.00 1.97 C ATOM 1238 C THR A 85 -17.318 6.916 10.208 1.00 1.67 C ATOM 1239 O THR A 85 -17.346 5.714 10.389 1.00 2.28 O ATOM 1240 CB THR A 85 -19.457 7.958 11.018 1.00 3.20 C ATOM 1241 OG1 THR A 85 -19.746 6.734 11.678 1.00 3.80 O ATOM 1242 CG2 THR A 85 -20.760 8.617 10.562 1.00 3.87 C ATOM 0 H THR A 85 -20.343 6.828 8.966 1.00 1.68 H new ATOM 0 HA THR A 85 -18.272 8.643 9.366 1.00 1.97 H new ATOM 0 HB THR A 85 -18.934 8.621 11.707 1.00 3.20 H new ATOM 0 HG1 THR A 85 -20.310 6.909 12.460 1.00 3.80 H new ATOM 0 HG21 THR A 85 -21.392 8.811 11.428 1.00 3.87 H new ATOM 0 HG22 THR A 85 -20.535 9.558 10.059 1.00 3.87 H new ATOM 0 HG23 THR A 85 -21.282 7.953 9.873 1.00 3.87 H new ATOM 1250 N ASP A 86 -16.226 7.604 10.396 1.00 1.51 N ATOM 1251 CA ASP A 86 -14.973 6.928 10.836 1.00 1.98 C ATOM 1252 C ASP A 86 -13.907 7.995 11.090 1.00 1.78 C ATOM 1253 O ASP A 86 -14.082 8.878 11.905 1.00 2.48 O ATOM 1254 CB ASP A 86 -14.489 5.957 9.755 1.00 2.56 C ATOM 1255 CG ASP A 86 -14.351 6.697 8.425 1.00 3.06 C ATOM 1256 OD1 ASP A 86 -14.475 7.910 8.429 1.00 3.50 O ATOM 1257 OD2 ASP A 86 -14.123 6.038 7.424 1.00 3.57 O ATOM 0 H ASP A 86 -16.147 8.612 10.263 1.00 1.51 H new ATOM 0 HA ASP A 86 -15.161 6.363 11.749 1.00 1.98 H new ATOM 0 HB2 ASP A 86 -13.531 5.525 10.043 1.00 2.56 H new ATOM 0 HB3 ASP A 86 -15.193 5.131 9.652 1.00 2.56 H new ATOM 1262 N SER A 87 -12.812 7.932 10.390 1.00 1.11 N ATOM 1263 CA SER A 87 -11.747 8.955 10.582 1.00 0.93 C ATOM 1264 C SER A 87 -10.533 8.567 9.698 1.00 0.84 C ATOM 1265 O SER A 87 -10.180 7.407 9.657 1.00 0.97 O ATOM 1266 CB SER A 87 -11.348 8.990 12.066 1.00 0.88 C ATOM 1267 OG SER A 87 -11.656 7.734 12.656 1.00 1.63 O ATOM 0 H SER A 87 -12.607 7.217 9.692 1.00 1.11 H new ATOM 0 HA SER A 87 -12.101 9.945 10.293 1.00 0.93 H new ATOM 0 HB2 SER A 87 -10.283 9.202 12.165 1.00 0.88 H new ATOM 0 HB3 SER A 87 -11.881 9.789 12.581 1.00 0.88 H new ATOM 0 HG SER A 87 -11.711 7.834 13.629 1.00 1.63 H new ATOM 1273 N PRO A 88 -9.931 9.520 8.998 1.00 0.77 N ATOM 1274 CA PRO A 88 -8.779 9.218 8.115 1.00 0.83 C ATOM 1275 C PRO A 88 -7.547 8.744 8.911 1.00 0.73 C ATOM 1276 O PRO A 88 -7.128 7.609 8.801 1.00 0.72 O ATOM 1277 CB PRO A 88 -8.472 10.556 7.398 1.00 1.01 C ATOM 1278 CG PRO A 88 -9.318 11.658 8.090 1.00 1.07 C ATOM 1279 CD PRO A 88 -10.333 10.948 9.009 1.00 0.83 C ATOM 0 HA PRO A 88 -9.014 8.409 7.424 1.00 0.83 H new ATOM 0 HB2 PRO A 88 -7.410 10.791 7.462 1.00 1.01 H new ATOM 0 HB3 PRO A 88 -8.721 10.490 6.339 1.00 1.01 H new ATOM 0 HG2 PRO A 88 -8.680 12.327 8.667 1.00 1.07 H new ATOM 0 HG3 PRO A 88 -9.833 12.269 7.349 1.00 1.07 H new ATOM 0 HD2 PRO A 88 -10.305 11.358 10.019 1.00 0.83 H new ATOM 0 HD3 PRO A 88 -11.352 11.074 8.643 1.00 0.83 H new ATOM 1287 N ARG A 89 -6.937 9.616 9.667 1.00 0.75 N ATOM 1288 CA ARG A 89 -5.704 9.229 10.416 1.00 0.73 C ATOM 1289 C ARG A 89 -5.979 8.113 11.431 1.00 0.67 C ATOM 1290 O ARG A 89 -5.170 7.225 11.611 1.00 0.68 O ATOM 1291 CB ARG A 89 -5.154 10.452 11.155 1.00 0.79 C ATOM 1292 CG ARG A 89 -4.858 11.575 10.156 1.00 1.63 C ATOM 1293 CD ARG A 89 -4.681 12.896 10.910 1.00 1.65 C ATOM 1294 NE ARG A 89 -3.521 12.785 11.840 1.00 2.07 N ATOM 1295 CZ ARG A 89 -3.007 13.860 12.376 1.00 2.47 C ATOM 1296 NH1 ARG A 89 -3.514 15.031 12.105 1.00 2.69 N ATOM 1297 NH2 ARG A 89 -1.987 13.762 13.185 1.00 3.10 N ATOM 0 H ARG A 89 -7.239 10.581 9.799 1.00 0.75 H new ATOM 0 HA ARG A 89 -4.978 8.858 9.693 1.00 0.73 H new ATOM 0 HB2 ARG A 89 -5.875 10.794 11.897 1.00 0.79 H new ATOM 0 HB3 ARG A 89 -4.245 10.184 11.694 1.00 0.79 H new ATOM 0 HG2 ARG A 89 -3.956 11.344 9.589 1.00 1.63 H new ATOM 0 HG3 ARG A 89 -5.673 11.661 9.437 1.00 1.63 H new ATOM 0 HD2 ARG A 89 -4.519 13.711 10.205 1.00 1.65 H new ATOM 0 HD3 ARG A 89 -5.587 13.133 11.468 1.00 1.65 H new ATOM 0 HE ARG A 89 -3.128 11.869 12.058 1.00 2.07 H new ATOM 0 HH11 ARG A 89 -4.312 15.108 11.474 1.00 2.69 H new ATOM 0 HH12 ARG A 89 -3.112 15.870 12.524 1.00 2.69 H new ATOM 0 HH21 ARG A 89 -1.592 12.846 13.398 1.00 3.10 H new ATOM 0 HH22 ARG A 89 -1.586 14.601 13.604 1.00 3.10 H new ATOM 1311 N GLU A 90 -7.087 8.158 12.118 1.00 0.65 N ATOM 1312 CA GLU A 90 -7.361 7.102 13.138 1.00 0.65 C ATOM 1313 C GLU A 90 -7.576 5.742 12.474 1.00 0.64 C ATOM 1314 O GLU A 90 -6.875 4.797 12.765 1.00 0.67 O ATOM 1315 CB GLU A 90 -8.612 7.458 13.935 1.00 0.71 C ATOM 1316 CG GLU A 90 -8.512 8.898 14.440 1.00 1.32 C ATOM 1317 CD GLU A 90 -7.353 9.008 15.432 1.00 2.02 C ATOM 1318 OE1 GLU A 90 -7.570 8.729 16.600 1.00 2.46 O ATOM 1319 OE2 GLU A 90 -6.267 9.366 15.007 1.00 2.78 O ATOM 0 H GLU A 90 -7.809 8.872 12.020 1.00 0.65 H new ATOM 0 HA GLU A 90 -6.497 7.046 13.800 1.00 0.65 H new ATOM 0 HB2 GLU A 90 -9.498 7.343 13.310 1.00 0.71 H new ATOM 0 HB3 GLU A 90 -8.725 6.775 14.777 1.00 0.71 H new ATOM 0 HG2 GLU A 90 -8.355 9.579 13.603 1.00 1.32 H new ATOM 0 HG3 GLU A 90 -9.445 9.193 14.920 1.00 1.32 H new ATOM 1326 N VAL A 91 -8.532 5.614 11.591 1.00 0.64 N ATOM 1327 CA VAL A 91 -8.771 4.289 10.946 1.00 0.67 C ATOM 1328 C VAL A 91 -7.476 3.785 10.296 1.00 0.66 C ATOM 1329 O VAL A 91 -7.116 2.633 10.416 1.00 0.67 O ATOM 1330 CB VAL A 91 -9.887 4.441 9.882 1.00 0.71 C ATOM 1331 CG1 VAL A 91 -9.297 4.974 8.561 1.00 0.80 C ATOM 1332 CG2 VAL A 91 -10.498 3.079 9.544 1.00 0.75 C ATOM 0 H VAL A 91 -9.154 6.364 11.290 1.00 0.64 H new ATOM 0 HA VAL A 91 -9.085 3.563 11.696 1.00 0.67 H new ATOM 0 HB VAL A 91 -10.632 5.121 10.296 1.00 0.71 H new ATOM 0 HG11 VAL A 91 -10.092 5.076 7.822 1.00 0.80 H new ATOM 0 HG12 VAL A 91 -8.836 5.946 8.735 1.00 0.80 H new ATOM 0 HG13 VAL A 91 -8.545 4.277 8.191 1.00 0.80 H new ATOM 0 HG21 VAL A 91 -11.280 3.207 8.795 1.00 0.75 H new ATOM 0 HG22 VAL A 91 -9.724 2.420 9.151 1.00 0.75 H new ATOM 0 HG23 VAL A 91 -10.927 2.639 10.444 1.00 0.75 H new ATOM 1342 N PHE A 92 -6.793 4.642 9.591 1.00 0.64 N ATOM 1343 CA PHE A 92 -5.541 4.228 8.904 1.00 0.65 C ATOM 1344 C PHE A 92 -4.578 3.578 9.897 1.00 0.62 C ATOM 1345 O PHE A 92 -4.049 2.513 9.648 1.00 0.67 O ATOM 1346 CB PHE A 92 -4.882 5.461 8.285 1.00 0.65 C ATOM 1347 CG PHE A 92 -3.629 5.052 7.549 1.00 0.65 C ATOM 1348 CD1 PHE A 92 -3.719 4.501 6.265 1.00 1.44 C ATOM 1349 CD2 PHE A 92 -2.377 5.224 8.150 1.00 1.31 C ATOM 1350 CE1 PHE A 92 -2.557 4.123 5.583 1.00 1.47 C ATOM 1351 CE2 PHE A 92 -1.216 4.847 7.468 1.00 1.31 C ATOM 1352 CZ PHE A 92 -1.305 4.296 6.184 1.00 0.73 C ATOM 0 H PHE A 92 -7.052 5.620 9.461 1.00 0.64 H new ATOM 0 HA PHE A 92 -5.782 3.503 8.127 1.00 0.65 H new ATOM 0 HB2 PHE A 92 -5.574 5.950 7.600 1.00 0.65 H new ATOM 0 HB3 PHE A 92 -4.639 6.185 9.063 1.00 0.65 H new ATOM 0 HD1 PHE A 92 -4.685 4.368 5.801 1.00 1.44 H new ATOM 0 HD2 PHE A 92 -2.307 5.648 9.141 1.00 1.31 H new ATOM 0 HE1 PHE A 92 -2.626 3.698 4.593 1.00 1.47 H new ATOM 0 HE2 PHE A 92 -0.250 4.981 7.932 1.00 1.31 H new ATOM 0 HZ PHE A 92 -0.408 4.005 5.658 1.00 0.73 H new ATOM 1362 N PHE A 93 -4.332 4.208 11.012 1.00 0.58 N ATOM 1363 CA PHE A 93 -3.384 3.614 11.998 1.00 0.57 C ATOM 1364 C PHE A 93 -4.092 2.510 12.789 1.00 0.59 C ATOM 1365 O PHE A 93 -3.486 1.533 13.181 1.00 0.60 O ATOM 1366 CB PHE A 93 -2.889 4.711 12.945 1.00 0.57 C ATOM 1367 CG PHE A 93 -2.025 4.112 14.028 1.00 0.56 C ATOM 1368 CD1 PHE A 93 -0.673 3.848 13.779 1.00 1.15 C ATOM 1369 CD2 PHE A 93 -2.573 3.829 15.285 1.00 1.47 C ATOM 1370 CE1 PHE A 93 0.130 3.300 14.786 1.00 1.07 C ATOM 1371 CE2 PHE A 93 -1.770 3.282 16.293 1.00 1.58 C ATOM 1372 CZ PHE A 93 -0.418 3.017 16.043 1.00 0.70 C ATOM 0 H PHE A 93 -4.742 5.102 11.283 1.00 0.58 H new ATOM 0 HA PHE A 93 -2.531 3.180 11.476 1.00 0.57 H new ATOM 0 HB2 PHE A 93 -2.321 5.455 12.386 1.00 0.57 H new ATOM 0 HB3 PHE A 93 -3.739 5.227 13.391 1.00 0.57 H new ATOM 0 HD1 PHE A 93 -0.250 4.067 12.810 1.00 1.15 H new ATOM 0 HD2 PHE A 93 -3.616 4.033 15.477 1.00 1.47 H new ATOM 0 HE1 PHE A 93 1.173 3.095 14.593 1.00 1.07 H new ATOM 0 HE2 PHE A 93 -2.193 3.065 17.263 1.00 1.58 H new ATOM 0 HZ PHE A 93 0.202 2.594 16.820 1.00 0.70 H new ATOM 1382 N ARG A 94 -5.366 2.657 13.038 1.00 0.62 N ATOM 1383 CA ARG A 94 -6.094 1.612 13.816 1.00 0.67 C ATOM 1384 C ARG A 94 -6.288 0.356 12.957 1.00 0.66 C ATOM 1385 O ARG A 94 -5.965 -0.738 13.374 1.00 0.67 O ATOM 1386 CB ARG A 94 -7.465 2.166 14.271 1.00 0.72 C ATOM 1387 CG ARG A 94 -7.873 1.597 15.641 1.00 0.89 C ATOM 1388 CD ARG A 94 -8.339 0.147 15.497 1.00 1.00 C ATOM 1389 NE ARG A 94 -8.736 -0.367 16.837 1.00 1.95 N ATOM 1390 CZ ARG A 94 -9.460 -1.447 16.938 1.00 2.64 C ATOM 1391 NH1 ARG A 94 -9.851 -2.075 15.864 1.00 2.76 N ATOM 1392 NH2 ARG A 94 -9.798 -1.895 18.117 1.00 3.65 N ATOM 0 H ARG A 94 -5.932 3.451 12.738 1.00 0.62 H new ATOM 0 HA ARG A 94 -5.508 1.345 14.695 1.00 0.67 H new ATOM 0 HB2 ARG A 94 -7.420 3.254 14.326 1.00 0.72 H new ATOM 0 HB3 ARG A 94 -8.224 1.916 13.530 1.00 0.72 H new ATOM 0 HG2 ARG A 94 -7.029 1.648 16.329 1.00 0.89 H new ATOM 0 HG3 ARG A 94 -8.672 2.202 16.070 1.00 0.89 H new ATOM 0 HD2 ARG A 94 -9.180 0.088 14.806 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -7.540 -0.466 15.080 1.00 1.00 H new ATOM 0 HE ARG A 94 -8.441 0.127 17.679 1.00 1.95 H new ATOM 0 HH11 ARG A 94 -9.591 -1.722 14.943 1.00 2.76 H new ATOM 0 HH12 ARG A 94 -10.417 -2.920 15.945 1.00 2.76 H new ATOM 0 HH21 ARG A 94 -9.496 -1.400 18.956 1.00 3.65 H new ATOM 0 HH22 ARG A 94 -10.364 -2.739 18.199 1.00 3.65 H new ATOM 1406 N VAL A 95 -6.821 0.482 11.770 1.00 0.65 N ATOM 1407 CA VAL A 95 -7.034 -0.726 10.923 1.00 0.66 C ATOM 1408 C VAL A 95 -5.700 -1.420 10.630 1.00 0.66 C ATOM 1409 O VAL A 95 -5.604 -2.630 10.654 1.00 0.67 O ATOM 1410 CB VAL A 95 -7.704 -0.301 9.599 1.00 0.64 C ATOM 1411 CG1 VAL A 95 -6.673 0.311 8.637 1.00 1.27 C ATOM 1412 CG2 VAL A 95 -8.349 -1.520 8.930 1.00 1.08 C ATOM 0 H VAL A 95 -7.116 1.365 11.353 1.00 0.65 H new ATOM 0 HA VAL A 95 -7.676 -1.427 11.456 1.00 0.66 H new ATOM 0 HB VAL A 95 -8.464 0.446 9.826 1.00 0.64 H new ATOM 0 HG11 VAL A 95 -7.168 0.603 7.711 1.00 1.27 H new ATOM 0 HG12 VAL A 95 -6.220 1.188 9.099 1.00 1.27 H new ATOM 0 HG13 VAL A 95 -5.898 -0.424 8.418 1.00 1.27 H new ATOM 0 HG21 VAL A 95 -8.821 -1.215 7.996 1.00 1.08 H new ATOM 0 HG22 VAL A 95 -7.584 -2.269 8.723 1.00 1.08 H new ATOM 0 HG23 VAL A 95 -9.101 -1.944 9.595 1.00 1.08 H new ATOM 1422 N ALA A 96 -4.683 -0.670 10.304 1.00 0.65 N ATOM 1423 CA ALA A 96 -3.384 -1.313 9.958 1.00 0.68 C ATOM 1424 C ALA A 96 -2.860 -2.099 11.159 1.00 0.70 C ATOM 1425 O ALA A 96 -2.452 -3.238 11.057 1.00 0.76 O ATOM 1426 CB ALA A 96 -2.373 -0.227 9.585 1.00 0.69 C ATOM 0 H ALA A 96 -4.694 0.349 10.262 1.00 0.65 H new ATOM 0 HA ALA A 96 -3.527 -1.993 9.118 1.00 0.68 H new ATOM 0 HB1 ALA A 96 -1.419 -0.690 9.330 1.00 0.69 H new ATOM 0 HB2 ALA A 96 -2.743 0.336 8.728 1.00 0.69 H new ATOM 0 HB3 ALA A 96 -2.235 0.447 10.430 1.00 0.69 H new ATOM 1432 N ALA A 97 -2.866 -1.457 12.301 1.00 0.74 N ATOM 1433 CA ALA A 97 -2.364 -2.100 13.549 1.00 0.78 C ATOM 1434 C ALA A 97 -3.003 -3.479 13.710 1.00 0.79 C ATOM 1435 O ALA A 97 -2.372 -4.417 14.157 1.00 0.83 O ATOM 1436 CB ALA A 97 -2.723 -1.224 14.755 1.00 0.77 C ATOM 0 H ALA A 97 -3.203 -0.502 12.420 1.00 0.74 H new ATOM 0 HA ALA A 97 -1.281 -2.210 13.489 1.00 0.78 H new ATOM 0 HB1 ALA A 97 -2.356 -1.694 15.668 1.00 0.77 H new ATOM 0 HB2 ALA A 97 -2.263 -0.242 14.642 1.00 0.77 H new ATOM 0 HB3 ALA A 97 -3.806 -1.112 14.814 1.00 0.77 H new ATOM 1442 N ASP A 98 -4.251 -3.608 13.358 1.00 0.78 N ATOM 1443 CA ASP A 98 -4.934 -4.925 13.498 1.00 0.82 C ATOM 1444 C ASP A 98 -4.321 -5.936 12.525 1.00 0.83 C ATOM 1445 O ASP A 98 -4.095 -7.081 12.863 1.00 0.88 O ATOM 1446 CB ASP A 98 -6.423 -4.759 13.189 1.00 0.82 C ATOM 1447 CG ASP A 98 -7.041 -3.774 14.183 1.00 1.47 C ATOM 1448 OD1 ASP A 98 -6.795 -3.927 15.368 1.00 2.19 O ATOM 1449 OD2 ASP A 98 -7.750 -2.884 13.743 1.00 2.13 O ATOM 0 H ASP A 98 -4.829 -2.858 12.979 1.00 0.78 H new ATOM 0 HA ASP A 98 -4.808 -5.289 14.518 1.00 0.82 H new ATOM 0 HB2 ASP A 98 -6.556 -4.396 12.170 1.00 0.82 H new ATOM 0 HB3 ASP A 98 -6.929 -5.723 13.253 1.00 0.82 H new ATOM 1454 N MET A 99 -4.062 -5.524 11.314 1.00 0.81 N ATOM 1455 CA MET A 99 -3.479 -6.461 10.311 1.00 0.85 C ATOM 1456 C MET A 99 -2.042 -6.804 10.700 1.00 0.97 C ATOM 1457 O MET A 99 -1.454 -7.732 10.180 1.00 1.14 O ATOM 1458 CB MET A 99 -3.507 -5.802 8.926 1.00 0.79 C ATOM 1459 CG MET A 99 -4.965 -5.462 8.528 1.00 0.81 C ATOM 1460 SD MET A 99 -5.262 -5.939 6.800 1.00 0.97 S ATOM 1461 CE MET A 99 -5.532 -4.285 6.117 1.00 0.48 C ATOM 0 H MET A 99 -4.229 -4.577 10.975 1.00 0.81 H new ATOM 0 HA MET A 99 -4.065 -7.380 10.284 1.00 0.85 H new ATOM 0 HB2 MET A 99 -2.903 -4.895 8.934 1.00 0.79 H new ATOM 0 HB3 MET A 99 -3.067 -6.472 8.187 1.00 0.79 H new ATOM 0 HG2 MET A 99 -5.661 -5.985 9.183 1.00 0.81 H new ATOM 0 HG3 MET A 99 -5.147 -4.395 8.656 1.00 0.81 H new ATOM 0 HE1 MET A 99 -5.734 -4.361 5.049 1.00 0.48 H new ATOM 0 HE2 MET A 99 -6.383 -3.820 6.615 1.00 0.48 H new ATOM 0 HE3 MET A 99 -4.642 -3.676 6.276 1.00 0.48 H new ATOM 1471 N PHE A 100 -1.474 -6.042 11.603 1.00 0.98 N ATOM 1472 CA PHE A 100 -0.063 -6.296 12.039 1.00 1.14 C ATOM 1473 C PHE A 100 0.001 -6.422 13.559 1.00 1.28 C ATOM 1474 O PHE A 100 0.042 -7.506 14.098 1.00 1.67 O ATOM 1475 CB PHE A 100 0.821 -5.147 11.563 1.00 1.19 C ATOM 1476 CG PHE A 100 0.782 -5.113 10.052 1.00 1.15 C ATOM 1477 CD1 PHE A 100 1.397 -6.134 9.314 1.00 1.67 C ATOM 1478 CD2 PHE A 100 0.120 -4.074 9.389 1.00 1.64 C ATOM 1479 CE1 PHE A 100 1.352 -6.112 7.915 1.00 1.79 C ATOM 1480 CE2 PHE A 100 0.074 -4.053 7.990 1.00 1.69 C ATOM 1481 CZ PHE A 100 0.690 -5.071 7.253 1.00 1.38 C ATOM 0 H PHE A 100 -1.928 -5.251 12.059 1.00 0.98 H new ATOM 0 HA PHE A 100 0.293 -7.229 11.603 1.00 1.14 H new ATOM 0 HB2 PHE A 100 0.468 -4.201 11.973 1.00 1.19 H new ATOM 0 HB3 PHE A 100 1.844 -5.284 11.914 1.00 1.19 H new ATOM 0 HD1 PHE A 100 1.906 -6.938 9.825 1.00 1.67 H new ATOM 0 HD2 PHE A 100 -0.356 -3.288 9.957 1.00 1.64 H new ATOM 0 HE1 PHE A 100 1.828 -6.898 7.347 1.00 1.79 H new ATOM 0 HE2 PHE A 100 -0.437 -3.251 7.479 1.00 1.69 H new ATOM 0 HZ PHE A 100 0.655 -5.054 6.174 1.00 1.38 H new ATOM 1491 N SER A 101 0.045 -5.306 14.241 1.00 1.34 N ATOM 1492 CA SER A 101 0.140 -5.279 15.733 1.00 1.52 C ATOM 1493 C SER A 101 1.551 -5.711 16.135 1.00 1.61 C ATOM 1494 O SER A 101 2.504 -4.980 15.954 1.00 1.99 O ATOM 1495 CB SER A 101 -0.932 -6.172 16.381 1.00 1.79 C ATOM 1496 OG SER A 101 -0.562 -7.541 16.290 1.00 2.21 O ATOM 0 H SER A 101 0.018 -4.382 13.810 1.00 1.34 H new ATOM 0 HA SER A 101 -0.046 -4.267 16.093 1.00 1.52 H new ATOM 0 HB2 SER A 101 -1.062 -5.893 17.427 1.00 1.79 H new ATOM 0 HB3 SER A 101 -1.891 -6.015 15.888 1.00 1.79 H new ATOM 0 HG SER A 101 -0.459 -7.790 15.348 1.00 2.21 H new ATOM 1502 N ASP A 102 1.700 -6.896 16.653 1.00 1.99 N ATOM 1503 CA ASP A 102 3.057 -7.377 17.037 1.00 2.34 C ATOM 1504 C ASP A 102 2.983 -8.866 17.379 1.00 2.07 C ATOM 1505 O ASP A 102 3.241 -9.281 18.492 1.00 2.62 O ATOM 1506 CB ASP A 102 3.588 -6.575 18.225 1.00 3.15 C ATOM 1507 CG ASP A 102 5.020 -7.008 18.537 1.00 3.78 C ATOM 1508 OD1 ASP A 102 5.450 -8.006 17.984 1.00 4.10 O ATOM 1509 OD2 ASP A 102 5.662 -6.333 19.325 1.00 4.42 O ATOM 0 H ASP A 102 0.941 -7.554 16.828 1.00 1.99 H new ATOM 0 HA ASP A 102 3.744 -7.236 16.203 1.00 2.34 H new ATOM 0 HB2 ASP A 102 3.561 -5.509 17.998 1.00 3.15 H new ATOM 0 HB3 ASP A 102 2.952 -6.732 19.096 1.00 3.15 H new ATOM 1514 N GLY A 103 2.630 -9.670 16.411 1.00 2.05 N ATOM 1515 CA GLY A 103 2.535 -11.138 16.652 1.00 2.45 C ATOM 1516 C GLY A 103 1.776 -11.794 15.498 1.00 2.44 C ATOM 1517 O GLY A 103 1.003 -12.710 15.687 1.00 3.08 O ATOM 0 H GLY A 103 2.403 -9.372 15.462 1.00 2.05 H new ATOM 0 HA2 GLY A 103 3.533 -11.569 16.737 1.00 2.45 H new ATOM 0 HA3 GLY A 103 2.023 -11.331 17.595 1.00 2.45 H new ATOM 1521 N ASN A 104 2.022 -11.329 14.298 1.00 2.29 N ATOM 1522 CA ASN A 104 1.355 -11.904 13.093 1.00 2.55 C ATOM 1523 C ASN A 104 1.845 -11.143 11.849 1.00 2.17 C ATOM 1524 O ASN A 104 1.089 -10.459 11.189 1.00 2.54 O ATOM 1525 CB ASN A 104 -0.170 -11.764 13.226 1.00 3.20 C ATOM 1526 CG ASN A 104 -0.847 -12.063 11.885 1.00 3.72 C ATOM 1527 OD1 ASN A 104 -1.364 -11.174 11.239 1.00 4.05 O ATOM 1528 ND2 ASN A 104 -0.865 -13.290 11.439 1.00 4.31 N ATOM 0 H ASN A 104 2.667 -10.564 14.102 1.00 2.29 H new ATOM 0 HA ASN A 104 1.602 -12.962 13.000 1.00 2.55 H new ATOM 0 HB2 ASN A 104 -0.540 -12.448 13.989 1.00 3.20 H new ATOM 0 HB3 ASN A 104 -0.423 -10.755 13.553 1.00 3.20 H new ATOM 0 HD21 ASN A 104 -1.313 -13.502 10.548 1.00 4.31 H new ATOM 0 HD22 ASN A 104 -0.431 -14.036 11.982 1.00 4.31 H new ATOM 1535 N PHE A 105 3.111 -11.251 11.530 1.00 1.90 N ATOM 1536 CA PHE A 105 3.654 -10.531 10.334 1.00 1.74 C ATOM 1537 C PHE A 105 3.498 -11.416 9.094 1.00 1.59 C ATOM 1538 O PHE A 105 3.627 -12.622 9.164 1.00 1.88 O ATOM 1539 CB PHE A 105 5.137 -10.226 10.556 1.00 2.03 C ATOM 1540 CG PHE A 105 5.274 -9.108 11.562 1.00 1.75 C ATOM 1541 CD1 PHE A 105 5.056 -7.783 11.166 1.00 2.14 C ATOM 1542 CD2 PHE A 105 5.614 -9.395 12.889 1.00 2.28 C ATOM 1543 CE1 PHE A 105 5.179 -6.745 12.096 1.00 2.60 C ATOM 1544 CE2 PHE A 105 5.737 -8.356 13.820 1.00 2.84 C ATOM 1545 CZ PHE A 105 5.520 -7.031 13.424 1.00 2.84 C ATOM 0 H PHE A 105 3.793 -11.807 12.046 1.00 1.90 H new ATOM 0 HA PHE A 105 3.107 -9.600 10.189 1.00 1.74 H new ATOM 0 HB2 PHE A 105 5.653 -11.117 10.913 1.00 2.03 H new ATOM 0 HB3 PHE A 105 5.606 -9.942 9.614 1.00 2.03 H new ATOM 0 HD1 PHE A 105 4.793 -7.562 10.142 1.00 2.14 H new ATOM 0 HD2 PHE A 105 5.781 -10.417 13.195 1.00 2.28 H new ATOM 0 HE1 PHE A 105 5.011 -5.723 11.790 1.00 2.60 H new ATOM 0 HE2 PHE A 105 5.999 -8.577 14.844 1.00 2.84 H new ATOM 0 HZ PHE A 105 5.615 -6.230 14.142 1.00 2.84 H new ATOM 1555 N ASN A 106 3.202 -10.836 7.961 1.00 1.85 N ATOM 1556 CA ASN A 106 3.008 -11.631 6.711 1.00 1.93 C ATOM 1557 C ASN A 106 3.390 -10.734 5.522 1.00 1.72 C ATOM 1558 O ASN A 106 3.005 -9.584 5.453 1.00 2.31 O ATOM 1559 CB ASN A 106 1.521 -12.050 6.589 1.00 2.62 C ATOM 1560 CG ASN A 106 0.825 -11.925 7.948 1.00 3.11 C ATOM 1561 OD1 ASN A 106 0.563 -10.832 8.411 1.00 3.46 O ATOM 1562 ND2 ASN A 106 0.512 -13.004 8.610 1.00 3.79 N ATOM 0 H ASN A 106 3.084 -9.829 7.847 1.00 1.85 H new ATOM 0 HA ASN A 106 3.626 -12.529 6.727 1.00 1.93 H new ATOM 0 HB2 ASN A 106 1.017 -11.421 5.855 1.00 2.62 H new ATOM 0 HB3 ASN A 106 1.453 -13.077 6.230 1.00 2.62 H new ATOM 0 HD21 ASN A 106 0.048 -12.930 9.515 1.00 3.79 H new ATOM 0 HD22 ASN A 106 0.731 -13.922 8.223 1.00 3.79 H new ATOM 1569 N TRP A 107 4.152 -11.249 4.595 1.00 1.54 N ATOM 1570 CA TRP A 107 4.566 -10.422 3.423 1.00 1.68 C ATOM 1571 C TRP A 107 3.368 -10.200 2.497 1.00 1.47 C ATOM 1572 O TRP A 107 3.401 -9.379 1.608 1.00 1.49 O ATOM 1573 CB TRP A 107 5.687 -11.141 2.660 1.00 2.30 C ATOM 1574 CG TRP A 107 6.562 -11.861 3.631 1.00 2.32 C ATOM 1575 CD1 TRP A 107 6.758 -13.198 3.653 1.00 2.69 C ATOM 1576 CD2 TRP A 107 7.355 -11.311 4.721 1.00 2.77 C ATOM 1577 NE1 TRP A 107 7.623 -13.505 4.688 1.00 3.12 N ATOM 1578 CE2 TRP A 107 8.019 -12.375 5.375 1.00 3.35 C ATOM 1579 CE3 TRP A 107 7.562 -10.004 5.200 1.00 3.24 C ATOM 1580 CZ2 TRP A 107 8.858 -12.152 6.467 1.00 4.31 C ATOM 1581 CZ3 TRP A 107 8.406 -9.776 6.299 1.00 4.29 C ATOM 1582 CH2 TRP A 107 9.053 -10.848 6.931 1.00 4.80 C ATOM 0 H TRP A 107 4.506 -12.206 4.598 1.00 1.54 H new ATOM 0 HA TRP A 107 4.929 -9.456 3.772 1.00 1.68 H new ATOM 0 HB2 TRP A 107 5.262 -11.845 1.945 1.00 2.30 H new ATOM 0 HB3 TRP A 107 6.273 -10.421 2.089 1.00 2.30 H new ATOM 0 HD1 TRP A 107 6.312 -13.910 2.974 1.00 2.69 H new ATOM 0 HE1 TRP A 107 7.931 -14.451 4.916 1.00 3.12 H new ATOM 0 HE3 TRP A 107 7.069 -9.172 4.720 1.00 3.24 H new ATOM 0 HZ2 TRP A 107 9.353 -12.981 6.950 1.00 4.31 H new ATOM 0 HZ3 TRP A 107 8.558 -8.769 6.660 1.00 4.29 H new ATOM 0 HH2 TRP A 107 9.701 -10.666 7.775 1.00 4.80 H new ATOM 1593 N GLY A 108 2.329 -10.968 2.677 1.00 1.41 N ATOM 1594 CA GLY A 108 1.137 -10.847 1.790 1.00 1.47 C ATOM 1595 C GLY A 108 0.099 -9.886 2.378 1.00 1.05 C ATOM 1596 O GLY A 108 -0.647 -9.240 1.648 1.00 1.02 O ATOM 0 H GLY A 108 2.254 -11.679 3.405 1.00 1.41 H new ATOM 0 HA2 GLY A 108 1.447 -10.493 0.807 1.00 1.47 H new ATOM 0 HA3 GLY A 108 0.686 -11.829 1.647 1.00 1.47 H new ATOM 1600 N ARG A 109 -0.015 -9.793 3.681 1.00 0.86 N ATOM 1601 CA ARG A 109 -1.075 -8.894 4.208 1.00 0.87 C ATOM 1602 C ARG A 109 -0.744 -7.476 3.753 1.00 0.70 C ATOM 1603 O ARG A 109 -1.592 -6.617 3.657 1.00 0.81 O ATOM 1604 CB ARG A 109 -1.149 -8.967 5.742 1.00 1.08 C ATOM 1605 CG ARG A 109 -1.916 -10.226 6.201 1.00 1.48 C ATOM 1606 CD ARG A 109 -2.511 -9.991 7.593 1.00 1.96 C ATOM 1607 NE ARG A 109 -3.253 -11.209 8.022 1.00 2.74 N ATOM 1608 CZ ARG A 109 -3.635 -11.339 9.262 1.00 3.19 C ATOM 1609 NH1 ARG A 109 -3.385 -10.391 10.123 1.00 3.19 N ATOM 1610 NH2 ARG A 109 -4.271 -12.414 9.640 1.00 4.08 N ATOM 0 H ARG A 109 0.555 -10.280 4.373 1.00 0.86 H new ATOM 0 HA ARG A 109 -2.049 -9.200 3.827 1.00 0.87 H new ATOM 0 HB2 ARG A 109 -0.142 -8.979 6.158 1.00 1.08 H new ATOM 0 HB3 ARG A 109 -1.643 -8.075 6.128 1.00 1.08 H new ATOM 0 HG2 ARG A 109 -2.709 -10.459 5.491 1.00 1.48 H new ATOM 0 HG3 ARG A 109 -1.245 -11.085 6.222 1.00 1.48 H new ATOM 0 HD2 ARG A 109 -1.719 -9.764 8.306 1.00 1.96 H new ATOM 0 HD3 ARG A 109 -3.180 -9.131 7.575 1.00 1.96 H new ATOM 0 HE ARG A 109 -3.463 -11.942 7.345 1.00 2.74 H new ATOM 0 HH11 ARG A 109 -2.891 -9.549 9.826 1.00 3.19 H new ATOM 0 HH12 ARG A 109 -3.683 -10.492 11.093 1.00 3.19 H new ATOM 0 HH21 ARG A 109 -4.469 -13.153 8.965 1.00 4.08 H new ATOM 0 HH22 ARG A 109 -4.570 -12.515 10.610 1.00 4.08 H new ATOM 1624 N VAL A 110 0.515 -7.230 3.485 1.00 0.60 N ATOM 1625 CA VAL A 110 0.935 -5.874 3.046 1.00 0.68 C ATOM 1626 C VAL A 110 0.274 -5.567 1.707 1.00 0.56 C ATOM 1627 O VAL A 110 -0.118 -4.448 1.449 1.00 0.60 O ATOM 1628 CB VAL A 110 2.466 -5.806 2.928 1.00 0.88 C ATOM 1629 CG1 VAL A 110 2.926 -6.497 1.633 1.00 1.27 C ATOM 1630 CG2 VAL A 110 2.920 -4.343 2.915 1.00 1.73 C ATOM 0 H VAL A 110 1.268 -7.915 3.553 1.00 0.60 H new ATOM 0 HA VAL A 110 0.623 -5.131 3.780 1.00 0.68 H new ATOM 0 HB VAL A 110 2.909 -6.316 3.783 1.00 0.88 H new ATOM 0 HG11 VAL A 110 4.012 -6.444 1.558 1.00 1.27 H new ATOM 0 HG12 VAL A 110 2.614 -7.541 1.647 1.00 1.27 H new ATOM 0 HG13 VAL A 110 2.478 -5.996 0.775 1.00 1.27 H new ATOM 0 HG21 VAL A 110 4.006 -4.300 2.831 1.00 1.73 H new ATOM 0 HG22 VAL A 110 2.470 -3.830 2.065 1.00 1.73 H new ATOM 0 HG23 VAL A 110 2.608 -3.857 3.839 1.00 1.73 H new ATOM 1640 N VAL A 111 0.110 -6.537 0.849 1.00 0.51 N ATOM 1641 CA VAL A 111 -0.564 -6.237 -0.439 1.00 0.50 C ATOM 1642 C VAL A 111 -1.930 -5.643 -0.100 1.00 0.46 C ATOM 1643 O VAL A 111 -2.359 -4.663 -0.675 1.00 0.47 O ATOM 1644 CB VAL A 111 -0.723 -7.528 -1.244 1.00 0.58 C ATOM 1645 CG1 VAL A 111 -1.342 -7.214 -2.606 1.00 1.41 C ATOM 1646 CG2 VAL A 111 0.654 -8.167 -1.447 1.00 1.36 C ATOM 0 H VAL A 111 0.407 -7.504 0.982 1.00 0.51 H new ATOM 0 HA VAL A 111 0.016 -5.536 -1.040 1.00 0.50 H new ATOM 0 HB VAL A 111 -1.373 -8.215 -0.703 1.00 0.58 H new ATOM 0 HG11 VAL A 111 -1.454 -8.136 -3.176 1.00 1.41 H new ATOM 0 HG12 VAL A 111 -2.320 -6.755 -2.464 1.00 1.41 H new ATOM 0 HG13 VAL A 111 -0.694 -6.527 -3.150 1.00 1.41 H new ATOM 0 HG21 VAL A 111 0.547 -9.088 -2.020 1.00 1.36 H new ATOM 0 HG22 VAL A 111 1.300 -7.476 -1.988 1.00 1.36 H new ATOM 0 HG23 VAL A 111 1.097 -8.393 -0.477 1.00 1.36 H new ATOM 1656 N ALA A 112 -2.598 -6.222 0.866 1.00 0.45 N ATOM 1657 CA ALA A 112 -3.929 -5.677 1.285 1.00 0.47 C ATOM 1658 C ALA A 112 -3.759 -4.234 1.786 1.00 0.46 C ATOM 1659 O ALA A 112 -4.592 -3.386 1.534 1.00 0.54 O ATOM 1660 CB ALA A 112 -4.528 -6.536 2.402 1.00 0.53 C ATOM 0 H ALA A 112 -2.283 -7.044 1.381 1.00 0.45 H new ATOM 0 HA ALA A 112 -4.601 -5.693 0.427 1.00 0.47 H new ATOM 0 HB1 ALA A 112 -5.495 -6.128 2.696 1.00 0.53 H new ATOM 0 HB2 ALA A 112 -4.659 -7.558 2.045 1.00 0.53 H new ATOM 0 HB3 ALA A 112 -3.857 -6.535 3.261 1.00 0.53 H new ATOM 1666 N LEU A 113 -2.691 -3.936 2.473 1.00 0.43 N ATOM 1667 CA LEU A 113 -2.484 -2.536 2.955 1.00 0.43 C ATOM 1668 C LEU A 113 -2.419 -1.593 1.747 1.00 0.42 C ATOM 1669 O LEU A 113 -3.130 -0.611 1.670 1.00 0.45 O ATOM 1670 CB LEU A 113 -1.156 -2.455 3.726 1.00 0.44 C ATOM 1671 CG LEU A 113 -0.853 -1.001 4.134 1.00 0.51 C ATOM 1672 CD1 LEU A 113 -2.036 -0.400 4.912 1.00 1.45 C ATOM 1673 CD2 LEU A 113 0.397 -0.985 5.019 1.00 1.27 C ATOM 0 H LEU A 113 -1.954 -4.596 2.722 1.00 0.43 H new ATOM 0 HA LEU A 113 -3.308 -2.247 3.608 1.00 0.43 H new ATOM 0 HB2 LEU A 113 -1.206 -3.085 4.614 1.00 0.44 H new ATOM 0 HB3 LEU A 113 -0.346 -2.841 3.107 1.00 0.44 H new ATOM 0 HG LEU A 113 -0.689 -0.406 3.236 1.00 0.51 H new ATOM 0 HD11 LEU A 113 -1.803 0.627 5.192 1.00 1.45 H new ATOM 0 HD12 LEU A 113 -2.928 -0.412 4.285 1.00 1.45 H new ATOM 0 HD13 LEU A 113 -2.217 -0.989 5.811 1.00 1.45 H new ATOM 0 HD21 LEU A 113 0.621 0.040 5.314 1.00 1.27 H new ATOM 0 HD22 LEU A 113 0.220 -1.588 5.909 1.00 1.27 H new ATOM 0 HD23 LEU A 113 1.241 -1.395 4.464 1.00 1.27 H new ATOM 1685 N PHE A 114 -1.569 -1.896 0.805 1.00 0.40 N ATOM 1686 CA PHE A 114 -1.436 -1.042 -0.412 1.00 0.40 C ATOM 1687 C PHE A 114 -2.808 -0.777 -1.041 1.00 0.39 C ATOM 1688 O PHE A 114 -3.094 0.310 -1.501 1.00 0.41 O ATOM 1689 CB PHE A 114 -0.541 -1.770 -1.431 1.00 0.41 C ATOM 1690 CG PHE A 114 0.915 -1.549 -1.074 1.00 0.44 C ATOM 1691 CD1 PHE A 114 1.484 -0.278 -1.227 1.00 1.27 C ATOM 1692 CD2 PHE A 114 1.692 -2.608 -0.587 1.00 1.29 C ATOM 1693 CE1 PHE A 114 2.826 -0.066 -0.894 1.00 1.27 C ATOM 1694 CE2 PHE A 114 3.035 -2.396 -0.254 1.00 1.38 C ATOM 1695 CZ PHE A 114 3.602 -1.125 -0.408 1.00 0.68 C ATOM 0 H PHE A 114 -0.953 -2.709 0.826 1.00 0.40 H new ATOM 0 HA PHE A 114 -0.994 -0.086 -0.130 1.00 0.40 H new ATOM 0 HB2 PHE A 114 -0.768 -2.836 -1.434 1.00 0.41 H new ATOM 0 HB3 PHE A 114 -0.740 -1.399 -2.436 1.00 0.41 H new ATOM 0 HD1 PHE A 114 0.886 0.539 -1.602 1.00 1.27 H new ATOM 0 HD2 PHE A 114 1.255 -3.588 -0.468 1.00 1.29 H new ATOM 0 HE1 PHE A 114 3.263 0.914 -1.012 1.00 1.27 H new ATOM 0 HE2 PHE A 114 3.634 -3.213 0.122 1.00 1.38 H new ATOM 0 HZ PHE A 114 4.638 -0.962 -0.152 1.00 0.68 H new ATOM 1705 N TYR A 115 -3.651 -1.773 -1.082 1.00 0.40 N ATOM 1706 CA TYR A 115 -4.993 -1.589 -1.702 1.00 0.41 C ATOM 1707 C TYR A 115 -5.913 -0.796 -0.775 1.00 0.41 C ATOM 1708 O TYR A 115 -6.696 0.019 -1.218 1.00 0.44 O ATOM 1709 CB TYR A 115 -5.624 -2.956 -1.982 1.00 0.44 C ATOM 1710 CG TYR A 115 -6.941 -2.764 -2.697 1.00 0.47 C ATOM 1711 CD1 TYR A 115 -6.974 -2.686 -4.094 1.00 1.28 C ATOM 1712 CD2 TYR A 115 -8.130 -2.661 -1.962 1.00 1.24 C ATOM 1713 CE1 TYR A 115 -8.194 -2.506 -4.757 1.00 1.32 C ATOM 1714 CE2 TYR A 115 -9.350 -2.482 -2.626 1.00 1.26 C ATOM 1715 CZ TYR A 115 -9.382 -2.404 -4.023 1.00 0.61 C ATOM 1716 OH TYR A 115 -10.584 -2.226 -4.678 1.00 0.70 O ATOM 0 H TYR A 115 -3.468 -2.706 -0.713 1.00 0.40 H new ATOM 0 HA TYR A 115 -4.867 -1.038 -2.634 1.00 0.41 H new ATOM 0 HB2 TYR A 115 -4.952 -3.561 -2.591 1.00 0.44 H new ATOM 0 HB3 TYR A 115 -5.780 -3.495 -1.048 1.00 0.44 H new ATOM 0 HD1 TYR A 115 -6.058 -2.765 -4.661 1.00 1.28 H new ATOM 0 HD2 TYR A 115 -8.105 -2.720 -0.884 1.00 1.24 H new ATOM 0 HE1 TYR A 115 -8.219 -2.446 -5.835 1.00 1.32 H new ATOM 0 HE2 TYR A 115 -10.266 -2.404 -2.060 1.00 1.26 H new ATOM 0 HH TYR A 115 -10.465 -2.405 -5.634 1.00 0.70 H new ATOM 1726 N PHE A 116 -5.836 -1.026 0.506 1.00 0.38 N ATOM 1727 CA PHE A 116 -6.726 -0.274 1.430 1.00 0.38 C ATOM 1728 C PHE A 116 -6.450 1.224 1.276 1.00 0.36 C ATOM 1729 O PHE A 116 -7.348 2.032 1.190 1.00 0.35 O ATOM 1730 CB PHE A 116 -6.448 -0.699 2.879 1.00 0.40 C ATOM 1731 CG PHE A 116 -7.200 0.211 3.833 1.00 0.37 C ATOM 1732 CD1 PHE A 116 -8.569 0.013 4.072 1.00 1.17 C ATOM 1733 CD2 PHE A 116 -6.524 1.256 4.477 1.00 1.35 C ATOM 1734 CE1 PHE A 116 -9.255 0.859 4.952 1.00 1.18 C ATOM 1735 CE2 PHE A 116 -7.213 2.100 5.357 1.00 1.37 C ATOM 1736 CZ PHE A 116 -8.578 1.902 5.594 1.00 0.45 C ATOM 0 H PHE A 116 -5.204 -1.693 0.948 1.00 0.38 H new ATOM 0 HA PHE A 116 -7.768 -0.487 1.189 1.00 0.38 H new ATOM 0 HB2 PHE A 116 -6.756 -1.734 3.030 1.00 0.40 H new ATOM 0 HB3 PHE A 116 -5.378 -0.651 3.083 1.00 0.40 H new ATOM 0 HD1 PHE A 116 -9.093 -0.791 3.577 1.00 1.17 H new ATOM 0 HD2 PHE A 116 -5.471 1.411 4.295 1.00 1.35 H new ATOM 0 HE1 PHE A 116 -10.308 0.706 5.136 1.00 1.18 H new ATOM 0 HE2 PHE A 116 -6.690 2.904 5.853 1.00 1.37 H new ATOM 0 HZ PHE A 116 -9.109 2.554 6.272 1.00 0.45 H new ATOM 1746 N ALA A 117 -5.201 1.600 1.240 1.00 0.35 N ATOM 1747 CA ALA A 117 -4.863 3.039 1.091 1.00 0.34 C ATOM 1748 C ALA A 117 -5.208 3.505 -0.323 1.00 0.34 C ATOM 1749 O ALA A 117 -5.563 4.644 -0.540 1.00 0.34 O ATOM 1750 CB ALA A 117 -3.365 3.243 1.333 1.00 0.37 C ATOM 0 H ALA A 117 -4.401 0.971 1.308 1.00 0.35 H new ATOM 0 HA ALA A 117 -5.435 3.617 1.817 1.00 0.34 H new ATOM 0 HB1 ALA A 117 -3.119 4.299 1.223 1.00 0.37 H new ATOM 0 HB2 ALA A 117 -3.111 2.914 2.341 1.00 0.37 H new ATOM 0 HB3 ALA A 117 -2.797 2.661 0.608 1.00 0.37 H new ATOM 1756 N SER A 118 -5.099 2.636 -1.293 1.00 0.35 N ATOM 1757 CA SER A 118 -5.406 3.032 -2.696 1.00 0.37 C ATOM 1758 C SER A 118 -6.826 3.588 -2.807 1.00 0.36 C ATOM 1759 O SER A 118 -7.063 4.573 -3.475 1.00 0.36 O ATOM 1760 CB SER A 118 -5.277 1.810 -3.605 1.00 0.42 C ATOM 1761 OG SER A 118 -6.433 0.995 -3.460 1.00 1.25 O ATOM 0 H SER A 118 -4.809 1.666 -1.172 1.00 0.35 H new ATOM 0 HA SER A 118 -4.701 3.807 -2.999 1.00 0.37 H new ATOM 0 HB2 SER A 118 -5.167 2.124 -4.643 1.00 0.42 H new ATOM 0 HB3 SER A 118 -4.383 1.243 -3.347 1.00 0.42 H new ATOM 0 HG SER A 118 -6.578 0.799 -2.511 1.00 1.25 H new ATOM 1767 N LYS A 119 -7.773 2.977 -2.147 1.00 0.37 N ATOM 1768 CA LYS A 119 -9.167 3.496 -2.219 1.00 0.39 C ATOM 1769 C LYS A 119 -9.248 4.782 -1.393 1.00 0.36 C ATOM 1770 O LYS A 119 -10.047 5.658 -1.661 1.00 0.38 O ATOM 1771 CB LYS A 119 -10.156 2.431 -1.696 1.00 0.46 C ATOM 1772 CG LYS A 119 -10.164 2.372 -0.146 1.00 1.29 C ATOM 1773 CD LYS A 119 -11.349 3.164 0.420 1.00 1.84 C ATOM 1774 CE LYS A 119 -11.215 3.258 1.942 1.00 2.48 C ATOM 1775 NZ LYS A 119 -12.317 4.101 2.485 1.00 3.36 N ATOM 0 H LYS A 119 -7.643 2.149 -1.566 1.00 0.37 H new ATOM 0 HA LYS A 119 -9.438 3.716 -3.252 1.00 0.39 H new ATOM 0 HB2 LYS A 119 -11.159 2.657 -2.057 1.00 0.46 H new ATOM 0 HB3 LYS A 119 -9.885 1.454 -2.097 1.00 0.46 H new ATOM 0 HG2 LYS A 119 -10.223 1.335 0.183 1.00 1.29 H new ATOM 0 HG3 LYS A 119 -9.230 2.777 0.243 1.00 1.29 H new ATOM 0 HD2 LYS A 119 -11.375 4.162 -0.016 1.00 1.84 H new ATOM 0 HD3 LYS A 119 -12.287 2.676 0.156 1.00 1.84 H new ATOM 0 HE2 LYS A 119 -11.253 2.262 2.384 1.00 2.48 H new ATOM 0 HE3 LYS A 119 -10.249 3.688 2.207 1.00 2.48 H new ATOM 0 HZ1 LYS A 119 -12.227 4.166 3.519 1.00 3.36 H new ATOM 0 HZ2 LYS A 119 -12.261 5.054 2.072 1.00 3.36 H new ATOM 0 HZ3 LYS A 119 -13.233 3.673 2.243 1.00 3.36 H new ATOM 1789 N LEU A 120 -8.406 4.908 -0.399 1.00 0.36 N ATOM 1790 CA LEU A 120 -8.408 6.141 0.436 1.00 0.35 C ATOM 1791 C LEU A 120 -8.026 7.337 -0.438 1.00 0.33 C ATOM 1792 O LEU A 120 -8.716 8.336 -0.480 1.00 0.39 O ATOM 1793 CB LEU A 120 -7.385 5.983 1.574 1.00 0.36 C ATOM 1794 CG LEU A 120 -7.701 6.974 2.716 1.00 0.68 C ATOM 1795 CD1 LEU A 120 -8.789 6.402 3.637 1.00 1.69 C ATOM 1796 CD2 LEU A 120 -6.437 7.220 3.545 1.00 1.28 C ATOM 0 H LEU A 120 -7.716 4.206 -0.131 1.00 0.36 H new ATOM 0 HA LEU A 120 -9.399 6.302 0.860 1.00 0.35 H new ATOM 0 HB2 LEU A 120 -7.406 4.961 1.953 1.00 0.36 H new ATOM 0 HB3 LEU A 120 -6.379 6.162 1.196 1.00 0.36 H new ATOM 0 HG LEU A 120 -8.053 7.907 2.277 1.00 0.68 H new ATOM 0 HD11 LEU A 120 -9.000 7.113 4.436 1.00 1.69 H new ATOM 0 HD12 LEU A 120 -9.697 6.224 3.061 1.00 1.69 H new ATOM 0 HD13 LEU A 120 -8.443 5.463 4.069 1.00 1.69 H new ATOM 0 HD21 LEU A 120 -6.661 7.919 4.351 1.00 1.28 H new ATOM 0 HD22 LEU A 120 -6.090 6.277 3.969 1.00 1.28 H new ATOM 0 HD23 LEU A 120 -5.659 7.639 2.907 1.00 1.28 H new ATOM 1808 N VAL A 121 -6.941 7.232 -1.157 1.00 0.33 N ATOM 1809 CA VAL A 121 -6.528 8.350 -2.049 1.00 0.39 C ATOM 1810 C VAL A 121 -7.418 8.351 -3.301 1.00 0.36 C ATOM 1811 O VAL A 121 -7.972 9.368 -3.658 1.00 0.39 O ATOM 1812 CB VAL A 121 -5.018 8.273 -2.375 1.00 0.54 C ATOM 1813 CG1 VAL A 121 -4.534 6.827 -2.262 1.00 0.95 C ATOM 1814 CG2 VAL A 121 -4.730 8.821 -3.782 1.00 1.18 C ATOM 0 H VAL A 121 -6.324 6.420 -1.164 1.00 0.33 H new ATOM 0 HA VAL A 121 -6.670 9.304 -1.541 1.00 0.39 H new ATOM 0 HB VAL A 121 -4.479 8.889 -1.655 1.00 0.54 H new ATOM 0 HG11 VAL A 121 -3.470 6.780 -2.493 1.00 0.95 H new ATOM 0 HG12 VAL A 121 -4.701 6.466 -1.247 1.00 0.95 H new ATOM 0 HG13 VAL A 121 -5.085 6.203 -2.965 1.00 0.95 H new ATOM 0 HG21 VAL A 121 -3.661 8.755 -3.986 1.00 1.18 H new ATOM 0 HG22 VAL A 121 -5.277 8.234 -4.520 1.00 1.18 H new ATOM 0 HG23 VAL A 121 -5.047 9.862 -3.839 1.00 1.18 H new ATOM 1824 N LEU A 122 -7.590 7.251 -3.979 1.00 0.37 N ATOM 1825 CA LEU A 122 -8.476 7.270 -5.178 1.00 0.39 C ATOM 1826 C LEU A 122 -9.844 7.847 -4.784 1.00 0.40 C ATOM 1827 O LEU A 122 -10.297 8.827 -5.344 1.00 0.40 O ATOM 1828 CB LEU A 122 -8.634 5.831 -5.694 1.00 0.42 C ATOM 1829 CG LEU A 122 -9.081 5.827 -7.168 1.00 0.72 C ATOM 1830 CD1 LEU A 122 -7.859 5.930 -8.088 1.00 1.15 C ATOM 1831 CD2 LEU A 122 -9.826 4.522 -7.476 1.00 1.24 C ATOM 0 H LEU A 122 -7.163 6.351 -3.760 1.00 0.37 H new ATOM 0 HA LEU A 122 -8.044 7.891 -5.963 1.00 0.39 H new ATOM 0 HB2 LEU A 122 -7.689 5.298 -5.594 1.00 0.42 H new ATOM 0 HB3 LEU A 122 -9.366 5.299 -5.086 1.00 0.42 H new ATOM 0 HG LEU A 122 -9.738 6.680 -7.338 1.00 0.72 H new ATOM 0 HD11 LEU A 122 -8.185 5.926 -9.128 1.00 1.15 H new ATOM 0 HD12 LEU A 122 -7.323 6.856 -7.879 1.00 1.15 H new ATOM 0 HD13 LEU A 122 -7.198 5.081 -7.912 1.00 1.15 H new ATOM 0 HD21 LEU A 122 -10.142 4.521 -8.519 1.00 1.24 H new ATOM 0 HD22 LEU A 122 -9.165 3.674 -7.296 1.00 1.24 H new ATOM 0 HD23 LEU A 122 -10.702 4.442 -6.832 1.00 1.24 H new ATOM 1843 N LYS A 123 -10.502 7.264 -3.820 1.00 0.51 N ATOM 1844 CA LYS A 123 -11.825 7.809 -3.402 1.00 0.55 C ATOM 1845 C LYS A 123 -11.689 9.307 -3.120 1.00 0.54 C ATOM 1846 O LYS A 123 -12.623 10.062 -3.306 1.00 0.55 O ATOM 1847 CB LYS A 123 -12.326 7.085 -2.150 1.00 0.59 C ATOM 1848 CG LYS A 123 -13.759 7.529 -1.844 1.00 0.97 C ATOM 1849 CD LYS A 123 -14.309 6.714 -0.671 1.00 1.37 C ATOM 1850 CE LYS A 123 -15.744 7.152 -0.370 1.00 1.74 C ATOM 1851 NZ LYS A 123 -15.745 8.570 0.091 1.00 2.32 N ATOM 0 H LYS A 123 -10.185 6.441 -3.307 1.00 0.51 H new ATOM 0 HA LYS A 123 -12.546 7.653 -4.204 1.00 0.55 H new ATOM 0 HB2 LYS A 123 -12.293 6.006 -2.303 1.00 0.59 H new ATOM 0 HB3 LYS A 123 -11.676 7.307 -1.304 1.00 0.59 H new ATOM 0 HG2 LYS A 123 -13.777 8.592 -1.602 1.00 0.97 H new ATOM 0 HG3 LYS A 123 -14.389 7.391 -2.723 1.00 0.97 H new ATOM 0 HD2 LYS A 123 -14.285 5.651 -0.911 1.00 1.37 H new ATOM 0 HD3 LYS A 123 -13.682 6.856 0.209 1.00 1.37 H new ATOM 0 HE2 LYS A 123 -16.362 7.048 -1.262 1.00 1.74 H new ATOM 0 HE3 LYS A 123 -16.179 6.509 0.396 1.00 1.74 H new ATOM 0 HZ1 LYS A 123 -16.634 8.771 0.592 1.00 2.32 H new ATOM 0 HZ2 LYS A 123 -14.942 8.727 0.733 1.00 2.32 H new ATOM 0 HZ3 LYS A 123 -15.660 9.202 -0.730 1.00 2.32 H new ATOM 1865 N ALA A 124 -10.544 9.756 -2.678 1.00 0.52 N ATOM 1866 CA ALA A 124 -10.393 11.213 -2.401 1.00 0.52 C ATOM 1867 C ALA A 124 -10.400 11.975 -3.726 1.00 0.51 C ATOM 1868 O ALA A 124 -10.840 13.105 -3.812 1.00 0.54 O ATOM 1869 CB ALA A 124 -9.091 11.483 -1.650 1.00 0.51 C ATOM 0 H ALA A 124 -9.718 9.185 -2.499 1.00 0.52 H new ATOM 0 HA ALA A 124 -11.222 11.548 -1.778 1.00 0.52 H new ATOM 0 HB1 ALA A 124 -8.998 12.552 -1.456 1.00 0.51 H new ATOM 0 HB2 ALA A 124 -9.098 10.942 -0.704 1.00 0.51 H new ATOM 0 HB3 ALA A 124 -8.247 11.148 -2.253 1.00 0.51 H new ATOM 1875 N LEU A 125 -9.930 11.339 -4.765 1.00 0.47 N ATOM 1876 CA LEU A 125 -9.913 11.976 -6.110 1.00 0.47 C ATOM 1877 C LEU A 125 -11.348 12.363 -6.496 1.00 0.48 C ATOM 1878 O LEU A 125 -11.612 13.455 -6.957 1.00 0.48 O ATOM 1879 CB LEU A 125 -9.364 10.952 -7.131 1.00 0.51 C ATOM 1880 CG LEU A 125 -8.696 11.671 -8.313 1.00 0.49 C ATOM 1881 CD1 LEU A 125 -8.311 10.643 -9.379 1.00 1.10 C ATOM 1882 CD2 LEU A 125 -9.666 12.692 -8.921 1.00 1.21 C ATOM 0 H LEU A 125 -9.552 10.392 -4.737 1.00 0.47 H new ATOM 0 HA LEU A 125 -9.285 12.867 -6.102 1.00 0.47 H new ATOM 0 HB2 LEU A 125 -8.643 10.295 -6.644 1.00 0.51 H new ATOM 0 HB3 LEU A 125 -10.176 10.321 -7.494 1.00 0.51 H new ATOM 0 HG LEU A 125 -7.805 12.189 -7.959 1.00 0.49 H new ATOM 0 HD11 LEU A 125 -7.837 11.150 -10.219 1.00 1.10 H new ATOM 0 HD12 LEU A 125 -7.616 9.920 -8.953 1.00 1.10 H new ATOM 0 HD13 LEU A 125 -9.206 10.126 -9.726 1.00 1.10 H new ATOM 0 HD21 LEU A 125 -9.185 13.197 -9.758 1.00 1.21 H new ATOM 0 HD22 LEU A 125 -10.561 12.179 -9.273 1.00 1.21 H new ATOM 0 HD23 LEU A 125 -9.943 13.426 -8.164 1.00 1.21 H new ATOM 1894 N CYS A 126 -12.274 11.461 -6.314 1.00 0.52 N ATOM 1895 CA CYS A 126 -13.695 11.752 -6.677 1.00 0.57 C ATOM 1896 C CYS A 126 -14.219 12.940 -5.862 1.00 0.57 C ATOM 1897 O CYS A 126 -15.028 13.719 -6.324 1.00 0.68 O ATOM 1898 CB CYS A 126 -14.559 10.523 -6.380 1.00 0.66 C ATOM 1899 SG CYS A 126 -13.930 9.098 -7.303 1.00 1.67 S ATOM 0 H CYS A 126 -12.109 10.531 -5.928 1.00 0.52 H new ATOM 0 HA CYS A 126 -13.744 11.996 -7.738 1.00 0.57 H new ATOM 0 HB2 CYS A 126 -14.549 10.309 -5.311 1.00 0.66 H new ATOM 0 HB3 CYS A 126 -15.595 10.719 -6.657 1.00 0.66 H new ATOM 0 HG CYS A 126 -14.664 8.056 -7.047 1.00 1.67 H new ATOM 1905 N THR A 127 -13.745 13.082 -4.654 1.00 0.57 N ATOM 1906 CA THR A 127 -14.210 14.226 -3.813 1.00 0.60 C ATOM 1907 C THR A 127 -13.538 15.493 -4.309 1.00 0.62 C ATOM 1908 O THR A 127 -13.850 16.591 -3.898 1.00 0.70 O ATOM 1909 CB THR A 127 -13.921 13.919 -2.306 1.00 0.60 C ATOM 1910 OG1 THR A 127 -12.634 13.340 -2.177 1.00 1.14 O ATOM 1911 CG2 THR A 127 -15.004 12.901 -1.921 1.00 1.19 C ATOM 0 H THR A 127 -13.063 12.463 -4.215 1.00 0.57 H new ATOM 0 HA THR A 127 -15.287 14.372 -3.897 1.00 0.60 H new ATOM 0 HB THR A 127 -13.939 14.808 -1.675 1.00 0.60 H new ATOM 0 HG1 THR A 127 -12.042 13.700 -2.870 1.00 1.14 H new ATOM 0 HG21 THR A 127 -14.885 12.621 -0.874 1.00 1.19 H new ATOM 0 HG22 THR A 127 -15.989 13.344 -2.068 1.00 1.19 H new ATOM 0 HG23 THR A 127 -14.908 12.014 -2.547 1.00 1.19 H new ATOM 1919 N LYS A 128 -12.608 15.319 -5.221 1.00 0.60 N ATOM 1920 CA LYS A 128 -11.881 16.480 -5.802 1.00 0.70 C ATOM 1921 C LYS A 128 -11.206 17.259 -4.686 1.00 0.61 C ATOM 1922 O LYS A 128 -11.509 18.411 -4.448 1.00 0.60 O ATOM 1923 CB LYS A 128 -12.826 17.402 -6.582 1.00 0.87 C ATOM 1924 CG LYS A 128 -13.480 16.647 -7.741 1.00 1.12 C ATOM 1925 CD LYS A 128 -14.418 17.600 -8.488 1.00 1.43 C ATOM 1926 CE LYS A 128 -15.053 16.879 -9.677 1.00 1.83 C ATOM 1927 NZ LYS A 128 -16.032 15.870 -9.182 1.00 2.47 N ATOM 0 H LYS A 128 -12.324 14.410 -5.587 1.00 0.60 H new ATOM 0 HA LYS A 128 -11.133 16.102 -6.500 1.00 0.70 H new ATOM 0 HB2 LYS A 128 -13.595 17.792 -5.915 1.00 0.87 H new ATOM 0 HB3 LYS A 128 -12.272 18.259 -6.966 1.00 0.87 H new ATOM 0 HG2 LYS A 128 -12.717 16.261 -8.418 1.00 1.12 H new ATOM 0 HG3 LYS A 128 -14.036 15.788 -7.365 1.00 1.12 H new ATOM 0 HD2 LYS A 128 -15.194 17.962 -7.814 1.00 1.43 H new ATOM 0 HD3 LYS A 128 -13.864 18.472 -8.834 1.00 1.43 H new ATOM 0 HE2 LYS A 128 -15.552 17.597 -10.327 1.00 1.83 H new ATOM 0 HE3 LYS A 128 -14.282 16.391 -10.274 1.00 1.83 H new ATOM 0 HZ1 LYS A 128 -16.607 15.525 -9.977 1.00 2.47 H new ATOM 0 HZ2 LYS A 128 -15.521 15.072 -8.753 1.00 2.47 H new ATOM 0 HZ3 LYS A 128 -16.652 16.307 -8.470 1.00 2.47 H new ATOM 1941 N VAL A 129 -10.260 16.648 -4.017 1.00 0.60 N ATOM 1942 CA VAL A 129 -9.513 17.348 -2.935 1.00 0.53 C ATOM 1943 C VAL A 129 -8.039 16.958 -3.094 1.00 0.53 C ATOM 1944 O VAL A 129 -7.528 16.184 -2.308 1.00 0.56 O ATOM 1945 CB VAL A 129 -10.021 16.864 -1.580 1.00 0.57 C ATOM 1946 CG1 VAL A 129 -9.459 17.753 -0.473 1.00 1.40 C ATOM 1947 CG2 VAL A 129 -11.549 16.911 -1.565 1.00 1.22 C ATOM 0 H VAL A 129 -9.973 15.683 -4.179 1.00 0.60 H new ATOM 0 HA VAL A 129 -9.645 18.428 -2.995 1.00 0.53 H new ATOM 0 HB VAL A 129 -9.692 15.839 -1.411 1.00 0.57 H new ATOM 0 HG11 VAL A 129 -9.824 17.405 0.493 1.00 1.40 H new ATOM 0 HG12 VAL A 129 -8.370 17.708 -0.488 1.00 1.40 H new ATOM 0 HG13 VAL A 129 -9.782 18.782 -0.633 1.00 1.40 H new ATOM 0 HG21 VAL A 129 -11.914 16.566 -0.598 1.00 1.22 H new ATOM 0 HG22 VAL A 129 -11.883 17.935 -1.735 1.00 1.22 H new ATOM 0 HG23 VAL A 129 -11.941 16.266 -2.352 1.00 1.22 H new ATOM 1957 N PRO A 130 -7.403 17.452 -4.135 1.00 0.62 N ATOM 1958 CA PRO A 130 -6.010 17.091 -4.414 1.00 0.73 C ATOM 1959 C PRO A 130 -5.098 17.399 -3.223 1.00 0.65 C ATOM 1960 O PRO A 130 -4.023 16.837 -3.123 1.00 0.64 O ATOM 1961 CB PRO A 130 -5.610 17.909 -5.664 1.00 1.00 C ATOM 1962 CG PRO A 130 -6.869 18.698 -6.120 1.00 1.00 C ATOM 1963 CD PRO A 130 -7.998 18.404 -5.101 1.00 0.75 C ATOM 0 HA PRO A 130 -5.905 16.020 -4.589 1.00 0.73 H new ATOM 0 HB2 PRO A 130 -4.792 18.591 -5.432 1.00 1.00 H new ATOM 0 HB3 PRO A 130 -5.260 17.250 -6.459 1.00 1.00 H new ATOM 0 HG2 PRO A 130 -6.658 19.767 -6.160 1.00 1.00 H new ATOM 0 HG3 PRO A 130 -7.169 18.394 -7.123 1.00 1.00 H new ATOM 0 HD2 PRO A 130 -8.329 19.316 -4.604 1.00 0.75 H new ATOM 0 HD3 PRO A 130 -8.871 17.974 -5.592 1.00 0.75 H new ATOM 1971 N GLU A 131 -5.468 18.287 -2.318 1.00 0.73 N ATOM 1972 CA GLU A 131 -4.508 18.571 -1.197 1.00 0.82 C ATOM 1973 C GLU A 131 -4.511 17.352 -0.270 1.00 0.72 C ATOM 1974 O GLU A 131 -3.587 17.117 0.482 1.00 0.73 O ATOM 1975 CB GLU A 131 -4.910 19.843 -0.448 1.00 1.09 C ATOM 1976 CG GLU A 131 -4.732 21.078 -1.339 1.00 1.55 C ATOM 1977 CD GLU A 131 -3.268 21.514 -1.327 1.00 2.17 C ATOM 1978 OE1 GLU A 131 -2.477 20.844 -0.684 1.00 2.52 O ATOM 1979 OE2 GLU A 131 -2.964 22.513 -1.955 1.00 2.86 O ATOM 0 H GLU A 131 -6.348 18.803 -2.305 1.00 0.73 H new ATOM 0 HA GLU A 131 -3.504 18.742 -1.585 1.00 0.82 H new ATOM 0 HB2 GLU A 131 -5.949 19.768 -0.126 1.00 1.09 H new ATOM 0 HB3 GLU A 131 -4.304 19.948 0.452 1.00 1.09 H new ATOM 0 HG2 GLU A 131 -5.046 20.852 -2.358 1.00 1.55 H new ATOM 0 HG3 GLU A 131 -5.366 21.890 -0.983 1.00 1.55 H new ATOM 1986 N LEU A 132 -5.546 16.563 -0.356 1.00 0.71 N ATOM 1987 CA LEU A 132 -5.653 15.335 0.471 1.00 0.69 C ATOM 1988 C LEU A 132 -4.921 14.181 -0.227 1.00 0.58 C ATOM 1989 O LEU A 132 -4.368 13.317 0.424 1.00 0.59 O ATOM 1990 CB LEU A 132 -7.132 14.993 0.680 1.00 0.80 C ATOM 1991 CG LEU A 132 -7.286 13.983 1.825 1.00 0.60 C ATOM 1992 CD1 LEU A 132 -7.038 14.655 3.192 1.00 1.11 C ATOM 1993 CD2 LEU A 132 -8.704 13.402 1.789 1.00 0.77 C ATOM 0 H LEU A 132 -6.337 16.724 -0.979 1.00 0.71 H new ATOM 0 HA LEU A 132 -5.191 15.499 1.444 1.00 0.69 H new ATOM 0 HB2 LEU A 132 -7.694 15.899 0.907 1.00 0.80 H new ATOM 0 HB3 LEU A 132 -7.550 14.580 -0.238 1.00 0.80 H new ATOM 0 HG LEU A 132 -6.549 13.190 1.696 1.00 0.60 H new ATOM 0 HD11 LEU A 132 -7.153 13.917 3.986 1.00 1.11 H new ATOM 0 HD12 LEU A 132 -6.027 15.062 3.219 1.00 1.11 H new ATOM 0 HD13 LEU A 132 -7.758 15.460 3.337 1.00 1.11 H new ATOM 0 HD21 LEU A 132 -8.823 12.683 2.599 1.00 0.77 H new ATOM 0 HD22 LEU A 132 -9.430 14.206 1.908 1.00 0.77 H new ATOM 0 HD23 LEU A 132 -8.869 12.903 0.834 1.00 0.77 H new ATOM 2005 N ILE A 133 -4.878 14.160 -1.528 1.00 0.52 N ATOM 2006 CA ILE A 133 -4.142 13.064 -2.227 1.00 0.46 C ATOM 2007 C ILE A 133 -2.687 13.038 -1.748 1.00 0.43 C ATOM 2008 O ILE A 133 -2.160 12.014 -1.362 1.00 0.46 O ATOM 2009 CB ILE A 133 -4.164 13.324 -3.735 1.00 0.45 C ATOM 2010 CG1 ILE A 133 -5.626 13.255 -4.216 1.00 0.42 C ATOM 2011 CG2 ILE A 133 -3.316 12.250 -4.453 1.00 0.49 C ATOM 2012 CD1 ILE A 133 -5.728 13.626 -5.702 1.00 1.19 C ATOM 0 H ILE A 133 -5.317 14.849 -2.138 1.00 0.52 H new ATOM 0 HA ILE A 133 -4.619 12.109 -2.006 1.00 0.46 H new ATOM 0 HB ILE A 133 -3.748 14.306 -3.960 1.00 0.45 H new ATOM 0 HG12 ILE A 133 -6.018 12.250 -4.060 1.00 0.42 H new ATOM 0 HG13 ILE A 133 -6.241 13.933 -3.624 1.00 0.42 H new ATOM 0 HG21 ILE A 133 -3.330 12.433 -5.527 1.00 0.49 H new ATOM 0 HG22 ILE A 133 -2.289 12.295 -4.091 1.00 0.49 H new ATOM 0 HG23 ILE A 133 -3.730 11.263 -4.248 1.00 0.49 H new ATOM 0 HD11 ILE A 133 -6.769 13.571 -6.020 1.00 1.19 H new ATOM 0 HD12 ILE A 133 -5.357 14.640 -5.850 1.00 1.19 H new ATOM 0 HD13 ILE A 133 -5.131 12.931 -6.292 1.00 1.19 H new ATOM 2024 N ARG A 134 -2.047 14.179 -1.758 1.00 0.42 N ATOM 2025 CA ARG A 134 -0.629 14.276 -1.292 1.00 0.43 C ATOM 2026 C ARG A 134 -0.557 13.981 0.212 1.00 0.40 C ATOM 2027 O ARG A 134 0.357 13.330 0.679 1.00 0.39 O ATOM 2028 CB ARG A 134 -0.099 15.697 -1.568 1.00 0.51 C ATOM 2029 CG ARG A 134 -0.693 16.219 -2.879 1.00 1.26 C ATOM 2030 CD ARG A 134 0.023 17.505 -3.301 1.00 1.57 C ATOM 2031 NE ARG A 134 0.276 18.354 -2.102 1.00 2.30 N ATOM 2032 CZ ARG A 134 1.111 19.355 -2.177 1.00 2.86 C ATOM 2033 NH1 ARG A 134 1.722 19.612 -3.301 1.00 2.98 N ATOM 2034 NH2 ARG A 134 1.332 20.101 -1.129 1.00 3.71 N ATOM 0 H ARG A 134 -2.452 15.060 -2.074 1.00 0.42 H new ATOM 0 HA ARG A 134 -0.019 13.549 -1.828 1.00 0.43 H new ATOM 0 HB2 ARG A 134 -0.365 16.362 -0.746 1.00 0.51 H new ATOM 0 HB3 ARG A 134 0.989 15.685 -1.629 1.00 0.51 H new ATOM 0 HG2 ARG A 134 -0.593 15.464 -3.659 1.00 1.26 H new ATOM 0 HG3 ARG A 134 -1.759 16.410 -2.755 1.00 1.26 H new ATOM 0 HD2 ARG A 134 0.965 17.264 -3.793 1.00 1.57 H new ATOM 0 HD3 ARG A 134 -0.584 18.051 -4.024 1.00 1.57 H new ATOM 0 HE ARG A 134 -0.203 18.153 -1.224 1.00 2.30 H new ATOM 0 HH11 ARG A 134 1.547 19.031 -4.121 1.00 2.98 H new ATOM 0 HH12 ARG A 134 2.374 20.394 -3.360 1.00 2.98 H new ATOM 0 HH21 ARG A 134 0.852 19.902 -0.251 1.00 3.71 H new ATOM 0 HH22 ARG A 134 1.984 20.883 -1.188 1.00 3.71 H new ATOM 2048 N THR A 135 -1.493 14.463 0.975 1.00 0.41 N ATOM 2049 CA THR A 135 -1.436 14.206 2.441 1.00 0.41 C ATOM 2050 C THR A 135 -1.570 12.705 2.730 1.00 0.39 C ATOM 2051 O THR A 135 -1.155 12.218 3.762 1.00 0.52 O ATOM 2052 CB THR A 135 -2.544 14.981 3.156 1.00 0.42 C ATOM 2053 OG1 THR A 135 -2.353 16.371 2.925 1.00 0.89 O ATOM 2054 CG2 THR A 135 -2.472 14.708 4.659 1.00 0.88 C ATOM 0 H THR A 135 -2.287 15.017 0.655 1.00 0.41 H new ATOM 0 HA THR A 135 -0.470 14.546 2.814 1.00 0.41 H new ATOM 0 HB THR A 135 -3.517 14.667 2.777 1.00 0.42 H new ATOM 0 HG1 THR A 135 -2.779 16.624 2.080 1.00 0.89 H new ATOM 0 HG21 THR A 135 -3.262 15.261 5.167 1.00 0.88 H new ATOM 0 HG22 THR A 135 -2.600 13.641 4.842 1.00 0.88 H new ATOM 0 HG23 THR A 135 -1.502 15.027 5.041 1.00 0.88 H new ATOM 2062 N ILE A 136 -2.148 11.971 1.809 1.00 0.35 N ATOM 2063 CA ILE A 136 -2.318 10.497 2.000 1.00 0.36 C ATOM 2064 C ILE A 136 -1.067 9.763 1.506 1.00 0.35 C ATOM 2065 O ILE A 136 -0.668 8.763 2.069 1.00 0.51 O ATOM 2066 CB ILE A 136 -3.546 10.022 1.210 1.00 0.46 C ATOM 2067 CG1 ILE A 136 -4.814 10.557 1.883 1.00 0.60 C ATOM 2068 CG2 ILE A 136 -3.595 8.489 1.188 1.00 0.94 C ATOM 2069 CD1 ILE A 136 -5.998 10.437 0.923 1.00 0.64 C ATOM 0 H ILE A 136 -2.511 12.333 0.927 1.00 0.35 H new ATOM 0 HA ILE A 136 -2.461 10.281 3.059 1.00 0.36 H new ATOM 0 HB ILE A 136 -3.481 10.393 0.187 1.00 0.46 H new ATOM 0 HG12 ILE A 136 -5.016 9.997 2.796 1.00 0.60 H new ATOM 0 HG13 ILE A 136 -4.672 11.598 2.172 1.00 0.60 H new ATOM 0 HG21 ILE A 136 -4.469 8.161 0.626 1.00 0.94 H new ATOM 0 HG22 ILE A 136 -2.693 8.103 0.714 1.00 0.94 H new ATOM 0 HG23 ILE A 136 -3.658 8.112 2.209 1.00 0.94 H new ATOM 0 HD11 ILE A 136 -6.898 10.819 1.406 1.00 0.64 H new ATOM 0 HD12 ILE A 136 -5.796 11.016 0.022 1.00 0.64 H new ATOM 0 HD13 ILE A 136 -6.145 9.391 0.656 1.00 0.64 H new ATOM 2081 N MET A 137 -0.424 10.256 0.483 1.00 0.35 N ATOM 2082 CA MET A 137 0.813 9.576 0.007 1.00 0.33 C ATOM 2083 C MET A 137 1.884 9.803 1.078 1.00 0.31 C ATOM 2084 O MET A 137 2.797 9.023 1.268 1.00 0.34 O ATOM 2085 CB MET A 137 1.247 10.163 -1.348 1.00 0.36 C ATOM 2086 CG MET A 137 0.328 9.640 -2.470 1.00 0.67 C ATOM 2087 SD MET A 137 0.215 10.871 -3.799 1.00 1.13 S ATOM 2088 CE MET A 137 1.866 10.630 -4.503 1.00 0.67 C ATOM 0 H MET A 137 -0.697 11.089 -0.038 1.00 0.35 H new ATOM 0 HA MET A 137 0.650 8.509 -0.143 1.00 0.33 H new ATOM 0 HB2 MET A 137 1.206 11.252 -1.311 1.00 0.36 H new ATOM 0 HB3 MET A 137 2.281 9.890 -1.557 1.00 0.36 H new ATOM 0 HG2 MET A 137 0.718 8.701 -2.864 1.00 0.67 H new ATOM 0 HG3 MET A 137 -0.664 9.430 -2.071 1.00 0.67 H new ATOM 0 HE1 MET A 137 1.990 11.279 -5.370 1.00 0.67 H new ATOM 0 HE2 MET A 137 2.620 10.876 -3.755 1.00 0.67 H new ATOM 0 HE3 MET A 137 1.983 9.590 -4.808 1.00 0.67 H new ATOM 2098 N GLY A 138 1.733 10.892 1.779 1.00 0.31 N ATOM 2099 CA GLY A 138 2.669 11.272 2.876 1.00 0.33 C ATOM 2100 C GLY A 138 2.473 10.344 4.081 1.00 0.33 C ATOM 2101 O GLY A 138 3.423 9.832 4.640 1.00 0.34 O ATOM 0 H GLY A 138 0.974 11.557 1.632 1.00 0.31 H new ATOM 0 HA2 GLY A 138 3.699 11.211 2.524 1.00 0.33 H new ATOM 0 HA3 GLY A 138 2.494 12.307 3.172 1.00 0.33 H new ATOM 2105 N TRP A 139 1.251 10.125 4.489 1.00 0.34 N ATOM 2106 CA TRP A 139 1.009 9.230 5.661 1.00 0.37 C ATOM 2107 C TRP A 139 1.320 7.778 5.289 1.00 0.35 C ATOM 2108 O TRP A 139 1.644 6.967 6.133 1.00 0.39 O ATOM 2109 CB TRP A 139 -0.449 9.332 6.121 1.00 0.43 C ATOM 2110 CG TRP A 139 -0.766 10.703 6.659 1.00 0.46 C ATOM 2111 CD1 TRP A 139 0.123 11.604 7.166 1.00 0.54 C ATOM 2112 CD2 TRP A 139 -2.076 11.335 6.761 1.00 0.53 C ATOM 2113 NE1 TRP A 139 -0.566 12.735 7.562 1.00 0.57 N ATOM 2114 CE2 TRP A 139 -1.919 12.619 7.334 1.00 0.56 C ATOM 2115 CE3 TRP A 139 -3.373 10.920 6.413 1.00 0.67 C ATOM 2116 CZ2 TRP A 139 -3.009 13.460 7.554 1.00 0.66 C ATOM 2117 CZ3 TRP A 139 -4.473 11.765 6.632 1.00 0.81 C ATOM 2118 CH2 TRP A 139 -4.290 13.032 7.202 1.00 0.78 C ATOM 0 H TRP A 139 0.414 10.524 4.065 1.00 0.34 H new ATOM 0 HA TRP A 139 1.664 9.546 6.473 1.00 0.37 H new ATOM 0 HB2 TRP A 139 -1.111 9.106 5.285 1.00 0.43 H new ATOM 0 HB3 TRP A 139 -0.641 8.585 6.891 1.00 0.43 H new ATOM 0 HD1 TRP A 139 1.190 11.458 7.245 1.00 0.54 H new ATOM 0 HE1 TRP A 139 -0.125 13.557 7.974 1.00 0.57 H new ATOM 0 HE3 TRP A 139 -3.525 9.945 5.974 1.00 0.67 H new ATOM 0 HZ2 TRP A 139 -2.863 14.436 7.994 1.00 0.66 H new ATOM 0 HZ3 TRP A 139 -5.465 11.437 6.360 1.00 0.81 H new ATOM 0 HH2 TRP A 139 -5.140 13.677 7.369 1.00 0.78 H new ATOM 2129 N THR A 140 1.230 7.446 4.030 1.00 0.34 N ATOM 2130 CA THR A 140 1.528 6.049 3.605 1.00 0.36 C ATOM 2131 C THR A 140 3.022 5.779 3.794 1.00 0.34 C ATOM 2132 O THR A 140 3.415 4.800 4.396 1.00 0.39 O ATOM 2133 CB THR A 140 1.156 5.874 2.130 1.00 0.38 C ATOM 2134 OG1 THR A 140 -0.156 6.375 1.912 1.00 1.20 O ATOM 2135 CG2 THR A 140 1.206 4.391 1.760 1.00 1.17 C ATOM 0 H THR A 140 0.963 8.081 3.278 1.00 0.34 H new ATOM 0 HA THR A 140 0.949 5.348 4.206 1.00 0.36 H new ATOM 0 HB THR A 140 1.864 6.424 1.509 1.00 0.38 H new ATOM 0 HG1 THR A 140 -0.105 7.311 1.626 1.00 1.20 H new ATOM 0 HG21 THR A 140 0.941 4.269 0.710 1.00 1.17 H new ATOM 0 HG22 THR A 140 2.213 4.008 1.927 1.00 1.17 H new ATOM 0 HG23 THR A 140 0.500 3.838 2.379 1.00 1.17 H new ATOM 2143 N LEU A 141 3.856 6.647 3.293 1.00 0.33 N ATOM 2144 CA LEU A 141 5.324 6.452 3.453 1.00 0.34 C ATOM 2145 C LEU A 141 5.701 6.600 4.930 1.00 0.33 C ATOM 2146 O LEU A 141 6.735 6.130 5.361 1.00 0.33 O ATOM 2147 CB LEU A 141 6.090 7.464 2.588 1.00 0.35 C ATOM 2148 CG LEU A 141 5.654 7.333 1.115 1.00 0.41 C ATOM 2149 CD1 LEU A 141 5.966 8.630 0.361 1.00 0.99 C ATOM 2150 CD2 LEU A 141 6.408 6.175 0.448 1.00 0.80 C ATOM 0 H LEU A 141 3.584 7.485 2.779 1.00 0.33 H new ATOM 0 HA LEU A 141 5.596 5.450 3.121 1.00 0.34 H new ATOM 0 HB2 LEU A 141 5.900 8.477 2.944 1.00 0.35 H new ATOM 0 HB3 LEU A 141 7.163 7.292 2.675 1.00 0.35 H new ATOM 0 HG LEU A 141 4.582 7.139 1.084 1.00 0.41 H new ATOM 0 HD11 LEU A 141 5.655 8.530 -0.679 1.00 0.99 H new ATOM 0 HD12 LEU A 141 5.428 9.458 0.823 1.00 0.99 H new ATOM 0 HD13 LEU A 141 7.037 8.826 0.402 1.00 0.99 H new ATOM 0 HD21 LEU A 141 6.095 6.088 -0.592 1.00 0.80 H new ATOM 0 HD22 LEU A 141 7.480 6.367 0.490 1.00 0.80 H new ATOM 0 HD23 LEU A 141 6.185 5.246 0.972 1.00 0.80 H new ATOM 2162 N ASP A 142 4.867 7.220 5.717 1.00 0.36 N ATOM 2163 CA ASP A 142 5.187 7.351 7.167 1.00 0.37 C ATOM 2164 C ASP A 142 5.166 5.951 7.792 1.00 0.37 C ATOM 2165 O ASP A 142 6.169 5.452 8.265 1.00 0.42 O ATOM 2166 CB ASP A 142 4.141 8.237 7.848 1.00 0.37 C ATOM 2167 CG ASP A 142 4.544 8.473 9.304 1.00 0.78 C ATOM 2168 OD1 ASP A 142 5.314 9.389 9.544 1.00 1.59 O ATOM 2169 OD2 ASP A 142 4.078 7.733 10.154 1.00 1.32 O ATOM 0 H ASP A 142 3.985 7.639 5.423 1.00 0.36 H new ATOM 0 HA ASP A 142 6.169 7.806 7.296 1.00 0.37 H new ATOM 0 HB2 ASP A 142 4.058 9.189 7.323 1.00 0.37 H new ATOM 0 HB3 ASP A 142 3.161 7.762 7.803 1.00 0.37 H new ATOM 2174 N PHE A 143 4.030 5.307 7.773 1.00 0.41 N ATOM 2175 CA PHE A 143 3.922 3.927 8.334 1.00 0.43 C ATOM 2176 C PHE A 143 5.038 3.042 7.776 1.00 0.43 C ATOM 2177 O PHE A 143 5.597 2.233 8.490 1.00 0.45 O ATOM 2178 CB PHE A 143 2.572 3.322 7.935 1.00 0.44 C ATOM 2179 CG PHE A 143 2.486 1.895 8.435 1.00 0.47 C ATOM 2180 CD1 PHE A 143 3.105 0.860 7.720 1.00 1.16 C ATOM 2181 CD2 PHE A 143 1.788 1.608 9.614 1.00 1.29 C ATOM 2182 CE1 PHE A 143 3.026 -0.459 8.183 1.00 1.22 C ATOM 2183 CE2 PHE A 143 1.708 0.289 10.077 1.00 1.35 C ATOM 2184 CZ PHE A 143 2.327 -0.744 9.362 1.00 0.72 C ATOM 0 H PHE A 143 3.162 5.681 7.389 1.00 0.41 H new ATOM 0 HA PHE A 143 4.008 3.981 9.419 1.00 0.43 H new ATOM 0 HB2 PHE A 143 1.759 3.914 8.354 1.00 0.44 H new ATOM 0 HB3 PHE A 143 2.458 3.346 6.851 1.00 0.44 H new ATOM 0 HD1 PHE A 143 3.644 1.081 6.810 1.00 1.16 H new ATOM 0 HD2 PHE A 143 1.311 2.404 10.167 1.00 1.29 H new ATOM 0 HE1 PHE A 143 3.504 -1.255 7.631 1.00 1.22 H new ATOM 0 HE2 PHE A 143 1.169 0.068 10.986 1.00 1.35 H new ATOM 0 HZ PHE A 143 2.265 -1.761 9.720 1.00 0.72 H new ATOM 2194 N LEU A 144 5.373 3.160 6.523 1.00 0.45 N ATOM 2195 CA LEU A 144 6.452 2.281 5.987 1.00 0.47 C ATOM 2196 C LEU A 144 7.791 2.657 6.650 1.00 0.47 C ATOM 2197 O LEU A 144 8.550 1.798 7.054 1.00 0.49 O ATOM 2198 CB LEU A 144 6.553 2.420 4.454 1.00 0.49 C ATOM 2199 CG LEU A 144 5.659 1.401 3.732 1.00 0.64 C ATOM 2200 CD1 LEU A 144 4.200 1.865 3.791 1.00 1.31 C ATOM 2201 CD2 LEU A 144 6.095 1.315 2.261 1.00 1.01 C ATOM 0 H LEU A 144 4.958 3.812 5.857 1.00 0.45 H new ATOM 0 HA LEU A 144 6.215 1.242 6.217 1.00 0.47 H new ATOM 0 HB2 LEU A 144 6.265 3.429 4.160 1.00 0.49 H new ATOM 0 HB3 LEU A 144 7.588 2.281 4.143 1.00 0.49 H new ATOM 0 HG LEU A 144 5.752 0.427 4.212 1.00 0.64 H new ATOM 0 HD11 LEU A 144 3.567 1.141 3.278 1.00 1.31 H new ATOM 0 HD12 LEU A 144 3.887 1.948 4.832 1.00 1.31 H new ATOM 0 HD13 LEU A 144 4.107 2.836 3.305 1.00 1.31 H new ATOM 0 HD21 LEU A 144 5.467 0.594 1.737 1.00 1.01 H new ATOM 0 HD22 LEU A 144 5.992 2.294 1.793 1.00 1.01 H new ATOM 0 HD23 LEU A 144 7.136 0.996 2.208 1.00 1.01 H new ATOM 2213 N ARG A 145 8.100 3.913 6.740 1.00 0.47 N ATOM 2214 CA ARG A 145 9.403 4.318 7.346 1.00 0.48 C ATOM 2215 C ARG A 145 9.500 3.942 8.836 1.00 0.49 C ATOM 2216 O ARG A 145 10.533 3.496 9.294 1.00 0.50 O ATOM 2217 CB ARG A 145 9.571 5.832 7.201 1.00 0.49 C ATOM 2218 CG ARG A 145 10.953 6.249 7.716 1.00 0.69 C ATOM 2219 CD ARG A 145 11.170 7.742 7.457 1.00 0.68 C ATOM 2220 NE ARG A 145 12.302 8.229 8.295 1.00 1.56 N ATOM 2221 CZ ARG A 145 12.857 9.382 8.038 1.00 2.10 C ATOM 2222 NH1 ARG A 145 12.420 10.110 7.047 1.00 2.12 N ATOM 2223 NH2 ARG A 145 13.848 9.808 8.773 1.00 3.16 N ATOM 0 H ARG A 145 7.511 4.682 6.422 1.00 0.47 H new ATOM 0 HA ARG A 145 10.193 3.783 6.819 1.00 0.48 H new ATOM 0 HB2 ARG A 145 9.459 6.122 6.156 1.00 0.49 H new ATOM 0 HB3 ARG A 145 8.792 6.350 7.761 1.00 0.49 H new ATOM 0 HG2 ARG A 145 11.033 6.040 8.783 1.00 0.69 H new ATOM 0 HG3 ARG A 145 11.728 5.667 7.218 1.00 0.69 H new ATOM 0 HD2 ARG A 145 11.384 7.912 6.402 1.00 0.68 H new ATOM 0 HD3 ARG A 145 10.263 8.299 7.692 1.00 0.68 H new ATOM 0 HE ARG A 145 12.643 7.661 9.070 1.00 1.56 H new ATOM 0 HH11 ARG A 145 11.645 9.778 6.473 1.00 2.12 H new ATOM 0 HH12 ARG A 145 12.854 11.011 6.846 1.00 2.12 H new ATOM 0 HH21 ARG A 145 14.189 9.240 9.548 1.00 3.16 H new ATOM 0 HH22 ARG A 145 14.282 10.709 8.572 1.00 3.16 H new ATOM 2237 N GLU A 146 8.475 4.169 9.615 1.00 0.49 N ATOM 2238 CA GLU A 146 8.587 3.871 11.081 1.00 0.51 C ATOM 2239 C GLU A 146 8.450 2.371 11.387 1.00 0.53 C ATOM 2240 O GLU A 146 9.194 1.863 12.204 1.00 0.55 O ATOM 2241 CB GLU A 146 7.526 4.654 11.857 1.00 0.52 C ATOM 2242 CG GLU A 146 6.138 4.213 11.394 1.00 0.96 C ATOM 2243 CD GLU A 146 5.078 5.158 11.962 1.00 1.48 C ATOM 2244 OE1 GLU A 146 5.454 6.197 12.479 1.00 2.22 O ATOM 2245 OE2 GLU A 146 3.908 4.825 11.872 1.00 2.03 O ATOM 0 H GLU A 146 7.576 4.542 9.310 1.00 0.49 H new ATOM 0 HA GLU A 146 9.584 4.180 11.396 1.00 0.51 H new ATOM 0 HB2 GLU A 146 7.638 4.479 12.927 1.00 0.52 H new ATOM 0 HB3 GLU A 146 7.654 5.724 11.693 1.00 0.52 H new ATOM 0 HG2 GLU A 146 6.091 4.212 10.305 1.00 0.96 H new ATOM 0 HG3 GLU A 146 5.942 3.192 11.723 1.00 0.96 H new ATOM 2252 N ARG A 147 7.514 1.650 10.805 1.00 0.59 N ATOM 2253 CA ARG A 147 7.383 0.188 11.169 1.00 0.62 C ATOM 2254 C ARG A 147 8.021 -0.703 10.097 1.00 0.58 C ATOM 2255 O ARG A 147 8.766 -1.617 10.391 1.00 0.62 O ATOM 2256 CB ARG A 147 5.887 -0.151 11.326 1.00 0.63 C ATOM 2257 CG ARG A 147 5.450 0.109 12.779 1.00 0.73 C ATOM 2258 CD ARG A 147 3.955 -0.202 12.959 1.00 1.11 C ATOM 2259 NE ARG A 147 3.360 0.747 13.954 1.00 1.75 N ATOM 2260 CZ ARG A 147 3.952 0.999 15.095 1.00 2.40 C ATOM 2261 NH1 ARG A 147 4.997 0.315 15.471 1.00 2.71 N ATOM 2262 NH2 ARG A 147 3.460 1.909 15.891 1.00 3.30 N ATOM 0 H ARG A 147 6.850 1.994 10.112 1.00 0.59 H new ATOM 0 HA ARG A 147 7.906 0.003 12.107 1.00 0.62 H new ATOM 0 HB2 ARG A 147 5.292 0.455 10.642 1.00 0.63 H new ATOM 0 HB3 ARG A 147 5.710 -1.194 11.063 1.00 0.63 H new ATOM 0 HG2 ARG A 147 6.039 -0.508 13.457 1.00 0.73 H new ATOM 0 HG3 ARG A 147 5.645 1.149 13.042 1.00 0.73 H new ATOM 0 HD2 ARG A 147 3.438 -0.115 12.004 1.00 1.11 H new ATOM 0 HD3 ARG A 147 3.825 -1.230 13.299 1.00 1.11 H new ATOM 0 HE ARG A 147 2.475 1.207 13.738 1.00 1.75 H new ATOM 0 HH11 ARG A 147 5.363 -0.427 14.874 1.00 2.71 H new ATOM 0 HH12 ARG A 147 5.448 0.522 16.362 1.00 2.71 H new ATOM 0 HH21 ARG A 147 2.619 2.420 15.623 1.00 3.30 H new ATOM 0 HH22 ARG A 147 3.917 2.109 16.781 1.00 3.30 H new ATOM 2276 N LEU A 148 7.710 -0.453 8.859 1.00 0.53 N ATOM 2277 CA LEU A 148 8.255 -1.278 7.745 1.00 0.57 C ATOM 2278 C LEU A 148 9.622 -0.731 7.305 1.00 0.67 C ATOM 2279 O LEU A 148 10.344 -0.141 8.083 1.00 1.61 O ATOM 2280 CB LEU A 148 7.233 -1.217 6.577 1.00 0.59 C ATOM 2281 CG LEU A 148 6.981 -2.619 5.983 1.00 0.70 C ATOM 2282 CD1 LEU A 148 6.038 -3.421 6.895 1.00 1.29 C ATOM 2283 CD2 LEU A 148 6.330 -2.481 4.604 1.00 1.34 C ATOM 0 H LEU A 148 7.090 0.302 8.565 1.00 0.53 H new ATOM 0 HA LEU A 148 8.401 -2.311 8.061 1.00 0.57 H new ATOM 0 HB2 LEU A 148 6.293 -0.796 6.934 1.00 0.59 H new ATOM 0 HB3 LEU A 148 7.605 -0.551 5.799 1.00 0.59 H new ATOM 0 HG LEU A 148 7.935 -3.139 5.899 1.00 0.70 H new ATOM 0 HD11 LEU A 148 5.868 -4.408 6.465 1.00 1.29 H new ATOM 0 HD12 LEU A 148 6.489 -3.528 7.881 1.00 1.29 H new ATOM 0 HD13 LEU A 148 5.087 -2.896 6.986 1.00 1.29 H new ATOM 0 HD21 LEU A 148 6.152 -3.471 4.185 1.00 1.34 H new ATOM 0 HD22 LEU A 148 5.382 -1.952 4.701 1.00 1.34 H new ATOM 0 HD23 LEU A 148 6.992 -1.921 3.944 1.00 1.34 H new ATOM 2295 N LEU A 149 9.983 -0.957 6.071 1.00 0.67 N ATOM 2296 CA LEU A 149 11.305 -0.496 5.556 1.00 0.57 C ATOM 2297 C LEU A 149 12.394 -1.428 6.091 1.00 0.56 C ATOM 2298 O LEU A 149 13.008 -2.164 5.350 1.00 0.58 O ATOM 2299 CB LEU A 149 11.588 0.956 5.987 1.00 0.54 C ATOM 2300 CG LEU A 149 12.533 1.624 4.977 1.00 0.59 C ATOM 2301 CD1 LEU A 149 12.852 3.049 5.434 1.00 0.83 C ATOM 2302 CD2 LEU A 149 13.834 0.817 4.876 1.00 1.21 C ATOM 0 H LEU A 149 9.409 -1.449 5.387 1.00 0.67 H new ATOM 0 HA LEU A 149 11.295 -0.523 4.466 1.00 0.57 H new ATOM 0 HB2 LEU A 149 10.654 1.515 6.050 1.00 0.54 H new ATOM 0 HB3 LEU A 149 12.035 0.969 6.981 1.00 0.54 H new ATOM 0 HG LEU A 149 12.049 1.656 4.001 1.00 0.59 H new ATOM 0 HD11 LEU A 149 13.523 3.520 4.715 1.00 0.83 H new ATOM 0 HD12 LEU A 149 11.929 3.625 5.501 1.00 0.83 H new ATOM 0 HD13 LEU A 149 13.332 3.019 6.412 1.00 0.83 H new ATOM 0 HD21 LEU A 149 14.503 1.293 4.159 1.00 1.21 H new ATOM 0 HD22 LEU A 149 14.316 0.780 5.853 1.00 1.21 H new ATOM 0 HD23 LEU A 149 13.609 -0.197 4.544 1.00 1.21 H new ATOM 2314 N GLY A 150 12.621 -1.411 7.378 1.00 0.56 N ATOM 2315 CA GLY A 150 13.661 -2.303 7.967 1.00 0.58 C ATOM 2316 C GLY A 150 13.463 -3.731 7.456 1.00 0.62 C ATOM 2317 O GLY A 150 14.370 -4.350 6.936 1.00 0.70 O ATOM 0 H GLY A 150 12.130 -0.817 8.047 1.00 0.56 H new ATOM 0 HA2 GLY A 150 14.655 -1.945 7.699 1.00 0.58 H new ATOM 0 HA3 GLY A 150 13.597 -2.283 9.055 1.00 0.58 H new ATOM 2321 N TRP A 151 12.283 -4.262 7.617 1.00 0.63 N ATOM 2322 CA TRP A 151 12.019 -5.656 7.163 1.00 0.69 C ATOM 2323 C TRP A 151 12.231 -5.758 5.650 1.00 0.70 C ATOM 2324 O TRP A 151 12.637 -6.785 5.143 1.00 0.72 O ATOM 2325 CB TRP A 151 10.574 -6.043 7.521 1.00 0.73 C ATOM 2326 CG TRP A 151 10.501 -6.450 8.962 1.00 1.25 C ATOM 2327 CD1 TRP A 151 10.452 -7.729 9.404 1.00 2.17 C ATOM 2328 CD2 TRP A 151 10.472 -5.606 10.152 1.00 1.86 C ATOM 2329 NE1 TRP A 151 10.397 -7.724 10.786 1.00 2.65 N ATOM 2330 CE2 TRP A 151 10.406 -6.440 11.294 1.00 2.43 C ATOM 2331 CE3 TRP A 151 10.496 -4.213 10.350 1.00 2.68 C ATOM 2332 CZ2 TRP A 151 10.367 -5.912 12.585 1.00 3.17 C ATOM 2333 CZ3 TRP A 151 10.457 -3.679 11.649 1.00 3.62 C ATOM 2334 CH2 TRP A 151 10.393 -4.526 12.763 1.00 3.67 C ATOM 0 H TRP A 151 11.487 -3.789 8.045 1.00 0.63 H new ATOM 0 HA TRP A 151 12.708 -6.338 7.661 1.00 0.69 H new ATOM 0 HB2 TRP A 151 9.906 -5.202 7.337 1.00 0.73 H new ATOM 0 HB3 TRP A 151 10.239 -6.862 6.885 1.00 0.73 H new ATOM 0 HD1 TRP A 151 10.455 -8.610 8.779 1.00 2.17 H new ATOM 0 HE1 TRP A 151 10.355 -8.566 11.360 1.00 2.65 H new ATOM 0 HE3 TRP A 151 10.545 -3.550 9.498 1.00 2.68 H new ATOM 0 HZ2 TRP A 151 10.317 -6.569 13.440 1.00 3.17 H new ATOM 0 HZ3 TRP A 151 10.476 -2.608 11.790 1.00 3.62 H new ATOM 0 HH2 TRP A 151 10.364 -4.108 13.759 1.00 3.67 H new ATOM 2345 N ILE A 152 11.955 -4.714 4.919 1.00 0.73 N ATOM 2346 CA ILE A 152 12.141 -4.779 3.443 1.00 0.76 C ATOM 2347 C ILE A 152 13.616 -5.033 3.118 1.00 0.79 C ATOM 2348 O ILE A 152 13.957 -6.000 2.466 1.00 0.89 O ATOM 2349 CB ILE A 152 11.691 -3.459 2.814 1.00 0.78 C ATOM 2350 CG1 ILE A 152 10.302 -3.090 3.355 1.00 0.83 C ATOM 2351 CG2 ILE A 152 11.623 -3.614 1.294 1.00 0.92 C ATOM 2352 CD1 ILE A 152 9.770 -1.827 2.661 1.00 0.94 C ATOM 0 H ILE A 152 11.611 -3.823 5.277 1.00 0.73 H new ATOM 0 HA ILE A 152 11.542 -5.595 3.038 1.00 0.76 H new ATOM 0 HB ILE A 152 12.403 -2.672 3.064 1.00 0.78 H new ATOM 0 HG12 ILE A 152 9.611 -3.918 3.195 1.00 0.83 H new ATOM 0 HG13 ILE A 152 10.357 -2.925 4.431 1.00 0.83 H new ATOM 0 HG21 ILE A 152 11.302 -2.673 0.846 1.00 0.92 H new ATOM 0 HG22 ILE A 152 12.608 -3.881 0.911 1.00 0.92 H new ATOM 0 HG23 ILE A 152 10.910 -4.398 1.040 1.00 0.92 H new ATOM 0 HD11 ILE A 152 8.785 -1.581 3.058 1.00 0.94 H new ATOM 0 HD12 ILE A 152 10.452 -0.997 2.844 1.00 0.94 H new ATOM 0 HD13 ILE A 152 9.695 -2.005 1.588 1.00 0.94 H new ATOM 2364 N GLN A 153 14.497 -4.171 3.559 1.00 0.77 N ATOM 2365 CA GLN A 153 15.947 -4.371 3.260 1.00 0.80 C ATOM 2366 C GLN A 153 16.340 -5.825 3.551 1.00 0.81 C ATOM 2367 O GLN A 153 17.151 -6.403 2.856 1.00 0.82 O ATOM 2368 CB GLN A 153 16.815 -3.417 4.108 1.00 0.82 C ATOM 2369 CG GLN A 153 16.026 -2.155 4.447 1.00 1.09 C ATOM 2370 CD GLN A 153 16.970 -1.101 5.029 1.00 1.98 C ATOM 2371 OE1 GLN A 153 16.847 -0.730 6.180 1.00 2.66 O ATOM 2372 NE2 GLN A 153 17.913 -0.598 4.280 1.00 2.77 N ATOM 0 H GLN A 153 14.276 -3.342 4.110 1.00 0.77 H new ATOM 0 HA GLN A 153 16.118 -4.151 2.206 1.00 0.80 H new ATOM 0 HB2 GLN A 153 17.129 -3.916 5.024 1.00 0.82 H new ATOM 0 HB3 GLN A 153 17.721 -3.154 3.562 1.00 0.82 H new ATOM 0 HG2 GLN A 153 15.539 -1.767 3.552 1.00 1.09 H new ATOM 0 HG3 GLN A 153 15.238 -2.388 5.164 1.00 1.09 H new ATOM 0 HE21 GLN A 153 18.017 -0.909 3.314 1.00 2.77 H new ATOM 0 HE22 GLN A 153 18.546 0.106 4.661 1.00 2.77 H new ATOM 2381 N ASP A 154 15.802 -6.416 4.584 1.00 0.83 N ATOM 2382 CA ASP A 154 16.198 -7.818 4.902 1.00 0.86 C ATOM 2383 C ASP A 154 15.903 -8.707 3.692 1.00 0.85 C ATOM 2384 O ASP A 154 16.532 -9.727 3.487 1.00 0.94 O ATOM 2385 CB ASP A 154 15.420 -8.315 6.123 1.00 0.90 C ATOM 2386 CG ASP A 154 15.851 -9.742 6.464 1.00 1.28 C ATOM 2387 OD1 ASP A 154 16.969 -9.909 6.925 1.00 1.99 O ATOM 2388 OD2 ASP A 154 15.056 -10.645 6.261 1.00 1.84 O ATOM 0 H ASP A 154 15.116 -5.997 5.212 1.00 0.83 H new ATOM 0 HA ASP A 154 17.263 -7.856 5.129 1.00 0.86 H new ATOM 0 HB2 ASP A 154 15.600 -7.657 6.973 1.00 0.90 H new ATOM 0 HB3 ASP A 154 14.349 -8.287 5.920 1.00 0.90 H new ATOM 2393 N GLN A 155 14.949 -8.321 2.889 1.00 0.79 N ATOM 2394 CA GLN A 155 14.602 -9.133 1.690 1.00 0.79 C ATOM 2395 C GLN A 155 15.710 -9.008 0.644 1.00 0.72 C ATOM 2396 O GLN A 155 16.159 -9.990 0.085 1.00 1.03 O ATOM 2397 CB GLN A 155 13.284 -8.637 1.094 1.00 0.90 C ATOM 2398 CG GLN A 155 12.171 -8.775 2.133 1.00 1.37 C ATOM 2399 CD GLN A 155 10.826 -8.442 1.486 1.00 2.01 C ATOM 2400 OE1 GLN A 155 10.039 -9.324 1.204 1.00 2.72 O ATOM 2401 NE2 GLN A 155 10.527 -7.197 1.236 1.00 2.54 N ATOM 0 H GLN A 155 14.393 -7.475 3.013 1.00 0.79 H new ATOM 0 HA GLN A 155 14.497 -10.177 1.985 1.00 0.79 H new ATOM 0 HB2 GLN A 155 13.381 -7.596 0.785 1.00 0.90 H new ATOM 0 HB3 GLN A 155 13.037 -9.212 0.202 1.00 0.90 H new ATOM 0 HG2 GLN A 155 12.154 -9.790 2.531 1.00 1.37 H new ATOM 0 HG3 GLN A 155 12.358 -8.106 2.973 1.00 1.37 H new ATOM 0 HE21 GLN A 155 11.187 -6.456 1.473 1.00 2.54 H new ATOM 0 HE22 GLN A 155 9.633 -6.964 0.804 1.00 2.54 H new ATOM 2410 N GLY A 156 16.158 -7.801 0.381 1.00 0.63 N ATOM 2411 CA GLY A 156 17.248 -7.586 -0.627 1.00 0.72 C ATOM 2412 C GLY A 156 16.741 -6.697 -1.768 1.00 0.87 C ATOM 2413 O GLY A 156 17.395 -6.541 -2.780 1.00 1.38 O ATOM 0 H GLY A 156 15.813 -6.950 0.825 1.00 0.63 H new ATOM 0 HA2 GLY A 156 18.110 -7.121 -0.149 1.00 0.72 H new ATOM 0 HA3 GLY A 156 17.582 -8.545 -1.023 1.00 0.72 H new ATOM 2417 N GLY A 157 15.580 -6.105 -1.605 1.00 0.81 N ATOM 2418 CA GLY A 157 15.014 -5.210 -2.670 1.00 1.10 C ATOM 2419 C GLY A 157 13.573 -5.629 -2.978 1.00 0.84 C ATOM 2420 O GLY A 157 13.182 -6.759 -2.766 1.00 0.88 O ATOM 0 H GLY A 157 14.996 -6.203 -0.775 1.00 0.81 H new ATOM 0 HA2 GLY A 157 15.039 -4.172 -2.338 1.00 1.10 H new ATOM 0 HA3 GLY A 157 15.622 -5.271 -3.572 1.00 1.10 H new ATOM 2424 N TRP A 158 12.779 -4.712 -3.470 1.00 0.67 N ATOM 2425 CA TRP A 158 11.356 -5.035 -3.788 1.00 0.50 C ATOM 2426 C TRP A 158 11.285 -6.307 -4.638 1.00 0.51 C ATOM 2427 O TRP A 158 10.219 -6.840 -4.878 1.00 0.53 O ATOM 2428 CB TRP A 158 10.714 -3.871 -4.546 1.00 0.51 C ATOM 2429 CG TRP A 158 10.551 -2.696 -3.636 1.00 0.46 C ATOM 2430 CD1 TRP A 158 11.391 -1.636 -3.572 1.00 0.59 C ATOM 2431 CD2 TRP A 158 9.495 -2.438 -2.665 1.00 0.46 C ATOM 2432 NE1 TRP A 158 10.916 -0.745 -2.629 1.00 0.55 N ATOM 2433 CE2 TRP A 158 9.752 -1.196 -2.040 1.00 0.47 C ATOM 2434 CE3 TRP A 158 8.352 -3.155 -2.270 1.00 0.65 C ATOM 2435 CZ2 TRP A 158 8.905 -0.682 -1.058 1.00 0.58 C ATOM 2436 CZ3 TRP A 158 7.497 -2.642 -1.282 1.00 0.84 C ATOM 2437 CH2 TRP A 158 7.773 -1.407 -0.677 1.00 0.78 C ATOM 0 H TRP A 158 13.057 -3.750 -3.666 1.00 0.67 H new ATOM 0 HA TRP A 158 10.814 -5.198 -2.856 1.00 0.50 H new ATOM 0 HB2 TRP A 158 11.333 -3.597 -5.400 1.00 0.51 H new ATOM 0 HB3 TRP A 158 9.744 -4.174 -4.940 1.00 0.51 H new ATOM 0 HD1 TRP A 158 12.286 -1.508 -4.162 1.00 0.59 H new ATOM 0 HE1 TRP A 158 11.370 0.138 -2.396 1.00 0.55 H new ATOM 0 HE3 TRP A 158 8.130 -4.107 -2.730 1.00 0.65 H new ATOM 0 HZ2 TRP A 158 9.123 0.269 -0.596 1.00 0.58 H new ATOM 0 HZ3 TRP A 158 6.622 -3.201 -0.986 1.00 0.84 H new ATOM 0 HH2 TRP A 158 7.111 -1.017 0.082 1.00 0.78 H new ATOM 2448 N ASP A 159 12.398 -6.804 -5.096 1.00 0.50 N ATOM 2449 CA ASP A 159 12.360 -8.043 -5.923 1.00 0.51 C ATOM 2450 C ASP A 159 11.715 -9.168 -5.109 1.00 0.51 C ATOM 2451 O ASP A 159 11.100 -10.063 -5.652 1.00 0.51 O ATOM 2452 CB ASP A 159 13.783 -8.440 -6.320 1.00 0.54 C ATOM 2453 CG ASP A 159 13.733 -9.614 -7.300 1.00 1.66 C ATOM 2454 OD1 ASP A 159 13.026 -10.567 -7.016 1.00 2.46 O ATOM 2455 OD2 ASP A 159 14.404 -9.541 -8.316 1.00 2.37 O ATOM 0 H ASP A 159 13.326 -6.411 -4.936 1.00 0.50 H new ATOM 0 HA ASP A 159 11.776 -7.865 -6.826 1.00 0.51 H new ATOM 0 HB2 ASP A 159 14.294 -7.593 -6.777 1.00 0.54 H new ATOM 0 HB3 ASP A 159 14.355 -8.716 -5.434 1.00 0.54 H new ATOM 2460 N GLY A 160 11.832 -9.120 -3.806 1.00 0.52 N ATOM 2461 CA GLY A 160 11.202 -10.180 -2.966 1.00 0.54 C ATOM 2462 C GLY A 160 9.690 -10.111 -3.171 1.00 0.53 C ATOM 2463 O GLY A 160 9.007 -11.115 -3.205 1.00 0.54 O ATOM 0 H GLY A 160 12.334 -8.396 -3.291 1.00 0.52 H new ATOM 0 HA2 GLY A 160 11.580 -11.163 -3.247 1.00 0.54 H new ATOM 0 HA3 GLY A 160 11.451 -10.031 -1.915 1.00 0.54 H new ATOM 2467 N LEU A 161 9.173 -8.927 -3.338 1.00 0.54 N ATOM 2468 CA LEU A 161 7.715 -8.770 -3.578 1.00 0.56 C ATOM 2469 C LEU A 161 7.341 -9.569 -4.825 1.00 0.56 C ATOM 2470 O LEU A 161 6.375 -10.305 -4.858 1.00 0.62 O ATOM 2471 CB LEU A 161 7.423 -7.270 -3.822 1.00 0.58 C ATOM 2472 CG LEU A 161 5.988 -6.914 -3.360 1.00 0.74 C ATOM 2473 CD1 LEU A 161 4.980 -7.825 -4.074 1.00 1.63 C ATOM 2474 CD2 LEU A 161 5.848 -7.073 -1.823 1.00 1.56 C ATOM 0 H LEU A 161 9.703 -8.056 -3.318 1.00 0.54 H new ATOM 0 HA LEU A 161 7.140 -9.128 -2.724 1.00 0.56 H new ATOM 0 HB2 LEU A 161 8.147 -6.660 -3.282 1.00 0.58 H new ATOM 0 HB3 LEU A 161 7.538 -7.039 -4.881 1.00 0.58 H new ATOM 0 HG LEU A 161 5.786 -5.874 -3.615 1.00 0.74 H new ATOM 0 HD11 LEU A 161 3.970 -7.575 -3.749 1.00 1.63 H new ATOM 0 HD12 LEU A 161 5.060 -7.682 -5.152 1.00 1.63 H new ATOM 0 HD13 LEU A 161 5.193 -8.866 -3.829 1.00 1.63 H new ATOM 0 HD21 LEU A 161 4.832 -6.818 -1.522 1.00 1.56 H new ATOM 0 HD22 LEU A 161 6.061 -8.105 -1.543 1.00 1.56 H new ATOM 0 HD23 LEU A 161 6.553 -6.409 -1.323 1.00 1.56 H new ATOM 2486 N LEU A 162 8.123 -9.395 -5.862 1.00 0.53 N ATOM 2487 CA LEU A 162 7.871 -10.093 -7.153 1.00 0.56 C ATOM 2488 C LEU A 162 8.272 -11.568 -7.024 1.00 0.55 C ATOM 2489 O LEU A 162 7.672 -12.430 -7.636 1.00 0.57 O ATOM 2490 CB LEU A 162 8.705 -9.401 -8.261 1.00 0.61 C ATOM 2491 CG LEU A 162 7.909 -9.264 -9.562 1.00 0.80 C ATOM 2492 CD1 LEU A 162 8.779 -8.568 -10.615 1.00 1.56 C ATOM 2493 CD2 LEU A 162 7.505 -10.648 -10.079 1.00 1.33 C ATOM 0 H LEU A 162 8.941 -8.785 -5.864 1.00 0.53 H new ATOM 0 HA LEU A 162 6.813 -10.042 -7.411 1.00 0.56 H new ATOM 0 HB2 LEU A 162 9.018 -8.414 -7.919 1.00 0.61 H new ATOM 0 HB3 LEU A 162 9.612 -9.976 -8.447 1.00 0.61 H new ATOM 0 HG LEU A 162 7.011 -8.676 -9.371 1.00 0.80 H new ATOM 0 HD11 LEU A 162 8.217 -8.468 -11.543 1.00 1.56 H new ATOM 0 HD12 LEU A 162 9.064 -7.579 -10.255 1.00 1.56 H new ATOM 0 HD13 LEU A 162 9.676 -9.161 -10.796 1.00 1.56 H new ATOM 0 HD21 LEU A 162 6.939 -10.540 -11.004 1.00 1.33 H new ATOM 0 HD22 LEU A 162 8.400 -11.241 -10.268 1.00 1.33 H new ATOM 0 HD23 LEU A 162 6.888 -11.149 -9.333 1.00 1.33 H new ATOM 2505 N SER A 163 9.280 -11.878 -6.260 1.00 0.54 N ATOM 2506 CA SER A 163 9.683 -13.306 -6.150 1.00 0.56 C ATOM 2507 C SER A 163 8.562 -14.097 -5.471 1.00 0.53 C ATOM 2508 O SER A 163 8.412 -15.286 -5.673 1.00 0.60 O ATOM 2509 CB SER A 163 10.965 -13.415 -5.329 1.00 0.63 C ATOM 2510 OG SER A 163 11.433 -14.757 -5.366 1.00 1.32 O ATOM 0 H SER A 163 9.834 -11.217 -5.715 1.00 0.54 H new ATOM 0 HA SER A 163 9.862 -13.713 -7.145 1.00 0.56 H new ATOM 0 HB2 SER A 163 11.724 -12.742 -5.727 1.00 0.63 H new ATOM 0 HB3 SER A 163 10.778 -13.111 -4.299 1.00 0.63 H new ATOM 0 HG SER A 163 12.257 -14.831 -4.841 1.00 1.32 H new ATOM 2516 N TYR A 164 7.777 -13.437 -4.658 1.00 0.59 N ATOM 2517 CA TYR A 164 6.662 -14.130 -3.947 1.00 0.64 C ATOM 2518 C TYR A 164 5.408 -14.112 -4.826 1.00 0.63 C ATOM 2519 O TYR A 164 4.656 -15.065 -4.876 1.00 0.68 O ATOM 2520 CB TYR A 164 6.379 -13.403 -2.622 1.00 0.69 C ATOM 2521 CG TYR A 164 5.086 -13.904 -2.016 1.00 0.72 C ATOM 2522 CD1 TYR A 164 5.083 -15.052 -1.214 1.00 1.34 C ATOM 2523 CD2 TYR A 164 3.890 -13.217 -2.259 1.00 1.50 C ATOM 2524 CE1 TYR A 164 3.884 -15.512 -0.655 1.00 1.35 C ATOM 2525 CE2 TYR A 164 2.692 -13.676 -1.700 1.00 1.57 C ATOM 2526 CZ TYR A 164 2.688 -14.824 -0.899 1.00 0.87 C ATOM 2527 OH TYR A 164 1.507 -15.278 -0.348 1.00 0.97 O ATOM 0 H TYR A 164 7.862 -12.441 -4.455 1.00 0.59 H new ATOM 0 HA TYR A 164 6.941 -15.164 -3.742 1.00 0.64 H new ATOM 0 HB2 TYR A 164 7.202 -13.566 -1.926 1.00 0.69 H new ATOM 0 HB3 TYR A 164 6.316 -12.329 -2.795 1.00 0.69 H new ATOM 0 HD1 TYR A 164 6.005 -15.582 -1.027 1.00 1.34 H new ATOM 0 HD2 TYR A 164 3.892 -12.332 -2.878 1.00 1.50 H new ATOM 0 HE1 TYR A 164 3.881 -16.397 -0.036 1.00 1.35 H new ATOM 0 HE2 TYR A 164 1.771 -13.145 -1.887 1.00 1.57 H new ATOM 0 HH TYR A 164 0.773 -14.686 -0.615 1.00 0.97 H new ATOM 2537 N PHE A 165 5.173 -13.022 -5.502 1.00 0.64 N ATOM 2538 CA PHE A 165 3.962 -12.918 -6.363 1.00 0.72 C ATOM 2539 C PHE A 165 3.926 -14.081 -7.360 1.00 0.82 C ATOM 2540 O PHE A 165 2.880 -14.444 -7.860 1.00 1.56 O ATOM 2541 CB PHE A 165 3.987 -11.565 -7.117 1.00 0.74 C ATOM 2542 CG PHE A 165 2.625 -10.901 -7.053 1.00 0.84 C ATOM 2543 CD1 PHE A 165 1.560 -11.415 -7.803 1.00 1.65 C ATOM 2544 CD2 PHE A 165 2.430 -9.778 -6.239 1.00 1.42 C ATOM 2545 CE1 PHE A 165 0.301 -10.805 -7.739 1.00 1.96 C ATOM 2546 CE2 PHE A 165 1.173 -9.170 -6.175 1.00 1.71 C ATOM 2547 CZ PHE A 165 0.108 -9.683 -6.924 1.00 1.66 C ATOM 0 H PHE A 165 5.770 -12.195 -5.495 1.00 0.64 H new ATOM 0 HA PHE A 165 3.068 -12.967 -5.742 1.00 0.72 H new ATOM 0 HB2 PHE A 165 4.739 -10.910 -6.678 1.00 0.74 H new ATOM 0 HB3 PHE A 165 4.272 -11.726 -8.157 1.00 0.74 H new ATOM 0 HD1 PHE A 165 1.709 -12.281 -8.430 1.00 1.65 H new ATOM 0 HD2 PHE A 165 3.251 -9.382 -5.660 1.00 1.42 H new ATOM 0 HE1 PHE A 165 -0.521 -11.200 -8.318 1.00 1.96 H new ATOM 0 HE2 PHE A 165 1.024 -8.304 -5.547 1.00 1.71 H new ATOM 0 HZ PHE A 165 -0.863 -9.213 -6.873 1.00 1.66 H new ATOM 2557 N GLY A 166 5.046 -14.685 -7.642 1.00 0.94 N ATOM 2558 CA GLY A 166 5.052 -15.831 -8.592 1.00 1.01 C ATOM 2559 C GLY A 166 4.277 -15.481 -9.863 1.00 1.23 C ATOM 2560 O GLY A 166 4.533 -14.487 -10.514 1.00 1.85 O ATOM 0 H GLY A 166 5.956 -14.435 -7.256 1.00 0.94 H new ATOM 0 HA2 GLY A 166 6.079 -16.094 -8.847 1.00 1.01 H new ATOM 0 HA3 GLY A 166 4.607 -16.706 -8.118 1.00 1.01 H new ATOM 2564 N THR A 167 3.336 -16.309 -10.221 1.00 1.51 N ATOM 2565 CA THR A 167 2.533 -16.070 -11.452 1.00 2.01 C ATOM 2566 C THR A 167 1.490 -17.198 -11.619 1.00 1.65 C ATOM 2567 O THR A 167 0.328 -16.909 -11.822 1.00 2.06 O ATOM 2568 CB THR A 167 3.465 -15.999 -12.696 1.00 3.10 C ATOM 2569 OG1 THR A 167 4.805 -16.247 -12.298 1.00 3.65 O ATOM 2570 CG2 THR A 167 3.385 -14.613 -13.354 1.00 3.92 C ATOM 0 H THR A 167 3.086 -17.153 -9.705 1.00 1.51 H new ATOM 0 HA THR A 167 2.011 -15.118 -11.361 1.00 2.01 H new ATOM 0 HB THR A 167 3.142 -16.752 -13.415 1.00 3.10 H new ATOM 0 HG1 THR A 167 5.392 -16.204 -13.081 1.00 3.65 H new ATOM 0 HG21 THR A 167 4.044 -14.584 -14.222 1.00 3.92 H new ATOM 0 HG22 THR A 167 2.360 -14.419 -13.670 1.00 3.92 H new ATOM 0 HG23 THR A 167 3.694 -13.852 -12.638 1.00 3.92 H new ATOM 2578 N PRO A 168 1.911 -18.453 -11.543 1.00 1.84 N ATOM 2579 CA PRO A 168 0.964 -19.574 -11.707 1.00 2.36 C ATOM 2580 C PRO A 168 -0.099 -19.531 -10.600 1.00 1.79 C ATOM 2581 O PRO A 168 0.172 -19.155 -9.476 1.00 2.00 O ATOM 2582 CB PRO A 168 1.831 -20.854 -11.613 1.00 3.35 C ATOM 2583 CG PRO A 168 3.304 -20.407 -11.387 1.00 3.48 C ATOM 2584 CD PRO A 168 3.318 -18.864 -11.298 1.00 2.53 C ATOM 0 HA PRO A 168 0.425 -19.532 -12.653 1.00 2.36 H new ATOM 0 HB2 PRO A 168 1.492 -21.487 -10.793 1.00 3.35 H new ATOM 0 HB3 PRO A 168 1.745 -21.443 -12.526 1.00 3.35 H new ATOM 0 HG2 PRO A 168 3.701 -20.847 -10.472 1.00 3.48 H new ATOM 0 HG3 PRO A 168 3.937 -20.749 -12.206 1.00 3.48 H new ATOM 0 HD2 PRO A 168 3.663 -18.528 -10.320 1.00 2.53 H new ATOM 0 HD3 PRO A 168 3.990 -18.432 -12.039 1.00 2.53 H new ATOM 2592 N THR A 169 -1.305 -19.918 -10.914 1.00 1.73 N ATOM 2593 CA THR A 169 -2.385 -19.907 -9.888 1.00 1.33 C ATOM 2594 C THR A 169 -2.463 -18.528 -9.231 1.00 1.05 C ATOM 2595 O THR A 169 -1.916 -18.303 -8.170 1.00 1.06 O ATOM 2596 CB THR A 169 -2.082 -20.964 -8.823 1.00 1.53 C ATOM 2597 OG1 THR A 169 -1.780 -22.199 -9.457 1.00 1.94 O ATOM 2598 CG2 THR A 169 -3.299 -21.139 -7.914 1.00 2.40 C ATOM 0 H THR A 169 -1.589 -20.242 -11.839 1.00 1.73 H new ATOM 0 HA THR A 169 -3.339 -20.130 -10.366 1.00 1.33 H new ATOM 0 HB THR A 169 -1.229 -20.644 -8.225 1.00 1.53 H new ATOM 0 HG1 THR A 169 -1.584 -22.877 -8.777 1.00 1.94 H new ATOM 0 HG21 THR A 169 -3.082 -21.892 -7.156 1.00 2.40 H new ATOM 0 HG22 THR A 169 -3.529 -20.191 -7.428 1.00 2.40 H new ATOM 0 HG23 THR A 169 -4.154 -21.459 -8.509 1.00 2.40 H new ATOM 2606 N TRP A 170 -3.144 -17.601 -9.853 1.00 1.04 N ATOM 2607 CA TRP A 170 -3.267 -16.233 -9.266 1.00 1.01 C ATOM 2608 C TRP A 170 -4.537 -16.156 -8.415 1.00 0.92 C ATOM 2609 O TRP A 170 -4.757 -15.201 -7.697 1.00 0.95 O ATOM 2610 CB TRP A 170 -3.351 -15.203 -10.396 1.00 1.32 C ATOM 2611 CG TRP A 170 -4.434 -15.597 -11.348 1.00 1.70 C ATOM 2612 CD1 TRP A 170 -5.752 -15.356 -11.167 1.00 2.30 C ATOM 2613 CD2 TRP A 170 -4.316 -16.296 -12.621 1.00 2.52 C ATOM 2614 NE1 TRP A 170 -6.452 -15.862 -12.248 1.00 3.04 N ATOM 2615 CE2 TRP A 170 -5.610 -16.451 -13.171 1.00 3.15 C ATOM 2616 CE3 TRP A 170 -3.223 -16.805 -13.345 1.00 3.32 C ATOM 2617 CZ2 TRP A 170 -5.813 -17.088 -14.395 1.00 4.11 C ATOM 2618 CZ3 TRP A 170 -3.423 -17.447 -14.578 1.00 4.37 C ATOM 2619 CH2 TRP A 170 -4.716 -17.588 -15.102 1.00 4.64 C ATOM 0 H TRP A 170 -3.622 -17.733 -10.745 1.00 1.04 H new ATOM 0 HA TRP A 170 -2.398 -16.024 -8.643 1.00 1.01 H new ATOM 0 HB2 TRP A 170 -3.554 -14.213 -9.986 1.00 1.32 H new ATOM 0 HB3 TRP A 170 -2.397 -15.142 -10.919 1.00 1.32 H new ATOM 0 HD1 TRP A 170 -6.187 -14.851 -10.317 1.00 2.30 H new ATOM 0 HE1 TRP A 170 -7.465 -15.807 -12.351 1.00 3.04 H new ATOM 0 HE3 TRP A 170 -2.223 -16.701 -12.950 1.00 3.32 H new ATOM 0 HZ2 TRP A 170 -6.811 -17.194 -14.794 1.00 4.11 H new ATOM 0 HZ3 TRP A 170 -2.576 -17.834 -15.126 1.00 4.37 H new ATOM 0 HH2 TRP A 170 -4.864 -18.082 -16.051 1.00 4.64 H new ATOM 2630 N GLN A 171 -5.377 -17.153 -8.493 1.00 0.88 N ATOM 2631 CA GLN A 171 -6.634 -17.136 -7.691 1.00 0.84 C ATOM 2632 C GLN A 171 -6.299 -17.258 -6.204 1.00 0.75 C ATOM 2633 O GLN A 171 -7.073 -16.865 -5.354 1.00 0.75 O ATOM 2634 CB GLN A 171 -7.526 -18.304 -8.110 1.00 0.88 C ATOM 2635 CG GLN A 171 -7.958 -18.124 -9.566 1.00 1.57 C ATOM 2636 CD GLN A 171 -8.938 -19.235 -9.947 1.00 1.93 C ATOM 2637 OE1 GLN A 171 -10.137 -19.049 -9.895 1.00 2.66 O ATOM 2638 NE2 GLN A 171 -8.474 -20.393 -10.331 1.00 2.34 N ATOM 0 H GLN A 171 -5.247 -17.979 -9.078 1.00 0.88 H new ATOM 0 HA GLN A 171 -7.159 -16.197 -7.867 1.00 0.84 H new ATOM 0 HB2 GLN A 171 -6.989 -19.245 -7.993 1.00 0.88 H new ATOM 0 HB3 GLN A 171 -8.402 -18.355 -7.464 1.00 0.88 H new ATOM 0 HG2 GLN A 171 -8.427 -17.149 -9.700 1.00 1.57 H new ATOM 0 HG3 GLN A 171 -7.087 -18.152 -10.221 1.00 1.57 H new ATOM 0 HE21 GLN A 171 -7.467 -20.550 -10.375 1.00 2.34 H new ATOM 0 HE22 GLN A 171 -9.118 -21.141 -10.587 1.00 2.34 H new ATOM 2647 N THR A 172 -5.150 -17.781 -5.876 1.00 0.67 N ATOM 2648 CA THR A 172 -4.782 -17.895 -4.437 1.00 0.60 C ATOM 2649 C THR A 172 -4.513 -16.481 -3.909 1.00 0.59 C ATOM 2650 O THR A 172 -5.111 -16.057 -2.940 1.00 0.74 O ATOM 2651 CB THR A 172 -3.543 -18.799 -4.298 1.00 0.59 C ATOM 2652 OG1 THR A 172 -3.968 -20.155 -4.271 1.00 0.81 O ATOM 2653 CG2 THR A 172 -2.778 -18.490 -3.006 1.00 0.92 C ATOM 0 H THR A 172 -4.455 -18.132 -6.536 1.00 0.67 H new ATOM 0 HA THR A 172 -5.585 -18.346 -3.855 1.00 0.60 H new ATOM 0 HB THR A 172 -2.880 -18.618 -5.144 1.00 0.59 H new ATOM 0 HG1 THR A 172 -3.187 -20.741 -4.184 1.00 0.81 H new ATOM 0 HG21 THR A 172 -1.908 -19.143 -2.933 1.00 0.92 H new ATOM 0 HG22 THR A 172 -2.452 -17.450 -3.016 1.00 0.92 H new ATOM 0 HG23 THR A 172 -3.430 -18.657 -2.148 1.00 0.92 H new ATOM 2661 N VAL A 173 -3.623 -15.745 -4.513 1.00 0.59 N ATOM 2662 CA VAL A 173 -3.341 -14.369 -4.013 1.00 0.58 C ATOM 2663 C VAL A 173 -4.634 -13.544 -4.009 1.00 0.57 C ATOM 2664 O VAL A 173 -4.780 -12.615 -3.239 1.00 0.60 O ATOM 2665 CB VAL A 173 -2.304 -13.720 -4.935 1.00 0.64 C ATOM 2666 CG1 VAL A 173 -2.154 -12.235 -4.603 1.00 1.13 C ATOM 2667 CG2 VAL A 173 -0.957 -14.422 -4.745 1.00 1.01 C ATOM 0 H VAL A 173 -3.081 -16.034 -5.327 1.00 0.59 H new ATOM 0 HA VAL A 173 -2.954 -14.411 -2.995 1.00 0.58 H new ATOM 0 HB VAL A 173 -2.634 -13.818 -5.969 1.00 0.64 H new ATOM 0 HG11 VAL A 173 -1.414 -11.787 -5.266 1.00 1.13 H new ATOM 0 HG12 VAL A 173 -3.112 -11.734 -4.737 1.00 1.13 H new ATOM 0 HG13 VAL A 173 -1.829 -12.124 -3.569 1.00 1.13 H new ATOM 0 HG21 VAL A 173 -0.213 -13.965 -5.398 1.00 1.01 H new ATOM 0 HG22 VAL A 173 -0.638 -14.323 -3.707 1.00 1.01 H new ATOM 0 HG23 VAL A 173 -1.059 -15.478 -4.994 1.00 1.01 H new ATOM 2677 N THR A 174 -5.574 -13.869 -4.852 1.00 0.55 N ATOM 2678 CA THR A 174 -6.850 -13.098 -4.877 1.00 0.56 C ATOM 2679 C THR A 174 -7.679 -13.446 -3.635 1.00 0.53 C ATOM 2680 O THR A 174 -8.239 -12.580 -2.991 1.00 0.55 O ATOM 2681 CB THR A 174 -7.634 -13.475 -6.136 1.00 0.59 C ATOM 2682 OG1 THR A 174 -6.766 -13.440 -7.260 1.00 1.37 O ATOM 2683 CG2 THR A 174 -8.779 -12.487 -6.345 1.00 1.27 C ATOM 0 H THR A 174 -5.515 -14.634 -5.524 1.00 0.55 H new ATOM 0 HA THR A 174 -6.637 -12.029 -4.881 1.00 0.56 H new ATOM 0 HB THR A 174 -8.042 -14.479 -6.021 1.00 0.59 H new ATOM 0 HG1 THR A 174 -6.228 -14.259 -7.284 1.00 1.37 H new ATOM 0 HG21 THR A 174 -9.335 -12.759 -7.242 1.00 1.27 H new ATOM 0 HG22 THR A 174 -9.446 -12.515 -5.483 1.00 1.27 H new ATOM 0 HG23 THR A 174 -8.375 -11.481 -6.459 1.00 1.27 H new ATOM 2691 N ILE A 175 -7.762 -14.701 -3.292 1.00 0.51 N ATOM 2692 CA ILE A 175 -8.554 -15.100 -2.090 1.00 0.50 C ATOM 2693 C ILE A 175 -7.757 -14.768 -0.825 1.00 0.49 C ATOM 2694 O ILE A 175 -8.311 -14.591 0.243 1.00 0.49 O ATOM 2695 CB ILE A 175 -8.804 -16.607 -2.145 1.00 0.52 C ATOM 2696 CG1 ILE A 175 -9.571 -16.958 -3.426 1.00 0.77 C ATOM 2697 CG2 ILE A 175 -9.616 -17.051 -0.927 1.00 0.87 C ATOM 2698 CD1 ILE A 175 -9.463 -18.462 -3.689 1.00 0.89 C ATOM 0 H ILE A 175 -7.316 -15.470 -3.791 1.00 0.51 H new ATOM 0 HA ILE A 175 -9.503 -14.563 -2.074 1.00 0.50 H new ATOM 0 HB ILE A 175 -7.844 -17.124 -2.142 1.00 0.52 H new ATOM 0 HG12 ILE A 175 -10.617 -16.670 -3.327 1.00 0.77 H new ATOM 0 HG13 ILE A 175 -9.165 -16.400 -4.270 1.00 0.77 H new ATOM 0 HG21 ILE A 175 -9.788 -18.126 -0.977 1.00 0.87 H new ATOM 0 HG22 ILE A 175 -9.066 -16.813 -0.017 1.00 0.87 H new ATOM 0 HG23 ILE A 175 -10.574 -16.530 -0.919 1.00 0.87 H new ATOM 0 HD11 ILE A 175 -10.008 -18.712 -4.599 1.00 0.89 H new ATOM 0 HD12 ILE A 175 -8.415 -18.736 -3.807 1.00 0.89 H new ATOM 0 HD13 ILE A 175 -9.889 -19.010 -2.849 1.00 0.89 H new ATOM 2710 N PHE A 176 -6.464 -14.659 -0.942 1.00 0.48 N ATOM 2711 CA PHE A 176 -5.626 -14.311 0.241 1.00 0.49 C ATOM 2712 C PHE A 176 -5.854 -12.838 0.605 1.00 0.49 C ATOM 2713 O PHE A 176 -6.130 -12.503 1.740 1.00 0.56 O ATOM 2714 CB PHE A 176 -4.148 -14.503 -0.134 1.00 0.51 C ATOM 2715 CG PHE A 176 -3.318 -14.542 1.129 1.00 0.51 C ATOM 2716 CD1 PHE A 176 -2.862 -13.351 1.705 1.00 1.41 C ATOM 2717 CD2 PHE A 176 -3.016 -15.771 1.729 1.00 1.23 C ATOM 2718 CE1 PHE A 176 -2.102 -13.389 2.880 1.00 1.52 C ATOM 2719 CE2 PHE A 176 -2.258 -15.808 2.905 1.00 1.22 C ATOM 2720 CZ PHE A 176 -1.801 -14.617 3.481 1.00 0.76 C ATOM 0 H PHE A 176 -5.948 -14.797 -1.811 1.00 0.48 H new ATOM 0 HA PHE A 176 -5.891 -14.946 1.086 1.00 0.49 H new ATOM 0 HB2 PHE A 176 -4.020 -15.428 -0.697 1.00 0.51 H new ATOM 0 HB3 PHE A 176 -3.815 -13.689 -0.778 1.00 0.51 H new ATOM 0 HD1 PHE A 176 -3.096 -12.403 1.243 1.00 1.41 H new ATOM 0 HD2 PHE A 176 -3.368 -16.690 1.284 1.00 1.23 H new ATOM 0 HE1 PHE A 176 -1.748 -12.470 3.323 1.00 1.52 H new ATOM 0 HE2 PHE A 176 -2.026 -16.756 3.368 1.00 1.22 H new ATOM 0 HZ PHE A 176 -1.216 -14.645 4.389 1.00 0.76 H new ATOM 2730 N VAL A 177 -5.705 -11.957 -0.347 1.00 0.46 N ATOM 2731 CA VAL A 177 -5.873 -10.498 -0.068 1.00 0.48 C ATOM 2732 C VAL A 177 -7.360 -10.140 0.053 1.00 0.44 C ATOM 2733 O VAL A 177 -7.721 -9.215 0.755 1.00 0.57 O ATOM 2734 CB VAL A 177 -5.245 -9.706 -1.225 1.00 0.56 C ATOM 2735 CG1 VAL A 177 -5.629 -8.226 -1.128 1.00 1.20 C ATOM 2736 CG2 VAL A 177 -3.720 -9.841 -1.162 1.00 1.24 C ATOM 0 H VAL A 177 -5.472 -12.185 -1.314 1.00 0.46 H new ATOM 0 HA VAL A 177 -5.383 -10.250 0.873 1.00 0.48 H new ATOM 0 HB VAL A 177 -5.615 -10.105 -2.169 1.00 0.56 H new ATOM 0 HG11 VAL A 177 -5.177 -7.678 -1.954 1.00 1.20 H new ATOM 0 HG12 VAL A 177 -6.713 -8.127 -1.178 1.00 1.20 H new ATOM 0 HG13 VAL A 177 -5.271 -7.818 -0.183 1.00 1.20 H new ATOM 0 HG21 VAL A 177 -3.271 -9.280 -1.982 1.00 1.24 H new ATOM 0 HG22 VAL A 177 -3.359 -9.447 -0.212 1.00 1.24 H new ATOM 0 HG23 VAL A 177 -3.444 -10.892 -1.247 1.00 1.24 H new ATOM 2746 N ALA A 178 -8.224 -10.847 -0.613 1.00 0.45 N ATOM 2747 CA ALA A 178 -9.675 -10.516 -0.513 1.00 0.43 C ATOM 2748 C ALA A 178 -10.243 -11.058 0.802 1.00 0.40 C ATOM 2749 O ALA A 178 -10.867 -10.342 1.560 1.00 0.40 O ATOM 2750 CB ALA A 178 -10.425 -11.141 -1.690 1.00 0.46 C ATOM 0 H ALA A 178 -7.995 -11.635 -1.219 1.00 0.45 H new ATOM 0 HA ALA A 178 -9.798 -9.433 -0.537 1.00 0.43 H new ATOM 0 HB1 ALA A 178 -11.485 -10.899 -1.616 1.00 0.46 H new ATOM 0 HB2 ALA A 178 -10.027 -10.747 -2.625 1.00 0.46 H new ATOM 0 HB3 ALA A 178 -10.298 -12.223 -1.669 1.00 0.46 H new ATOM 2756 N GLY A 179 -10.040 -12.316 1.077 1.00 0.41 N ATOM 2757 CA GLY A 179 -10.579 -12.900 2.339 1.00 0.43 C ATOM 2758 C GLY A 179 -10.023 -12.144 3.549 1.00 0.43 C ATOM 2759 O GLY A 179 -10.682 -12.003 4.561 1.00 0.48 O ATOM 0 H GLY A 179 -9.524 -12.966 0.483 1.00 0.41 H new ATOM 0 HA2 GLY A 179 -11.668 -12.848 2.337 1.00 0.43 H new ATOM 0 HA3 GLY A 179 -10.311 -13.954 2.405 1.00 0.43 H new ATOM 2763 N VAL A 180 -8.811 -11.673 3.462 1.00 0.42 N ATOM 2764 CA VAL A 180 -8.210 -10.950 4.619 1.00 0.45 C ATOM 2765 C VAL A 180 -8.756 -9.523 4.723 1.00 0.45 C ATOM 2766 O VAL A 180 -8.972 -9.011 5.807 1.00 0.43 O ATOM 2767 CB VAL A 180 -6.681 -10.906 4.475 1.00 0.49 C ATOM 2768 CG1 VAL A 180 -6.077 -9.953 5.517 1.00 1.31 C ATOM 2769 CG2 VAL A 180 -6.106 -12.309 4.683 1.00 1.41 C ATOM 0 H VAL A 180 -8.211 -11.757 2.642 1.00 0.42 H new ATOM 0 HA VAL A 180 -8.477 -11.489 5.528 1.00 0.45 H new ATOM 0 HB VAL A 180 -6.432 -10.549 3.476 1.00 0.49 H new ATOM 0 HG11 VAL A 180 -4.993 -9.931 5.405 1.00 1.31 H new ATOM 0 HG12 VAL A 180 -6.478 -8.950 5.369 1.00 1.31 H new ATOM 0 HG13 VAL A 180 -6.331 -10.301 6.518 1.00 1.31 H new ATOM 0 HG21 VAL A 180 -5.021 -12.277 4.581 1.00 1.41 H new ATOM 0 HG22 VAL A 180 -6.366 -12.665 5.680 1.00 1.41 H new ATOM 0 HG23 VAL A 180 -6.521 -12.987 3.937 1.00 1.41 H new ATOM 2779 N LEU A 181 -8.977 -8.864 3.618 1.00 0.49 N ATOM 2780 CA LEU A 181 -9.493 -7.473 3.709 1.00 0.50 C ATOM 2781 C LEU A 181 -10.885 -7.517 4.336 1.00 0.49 C ATOM 2782 O LEU A 181 -11.296 -6.628 5.053 1.00 0.51 O ATOM 2783 CB LEU A 181 -9.567 -6.844 2.308 1.00 0.56 C ATOM 2784 CG LEU A 181 -8.180 -6.339 1.875 1.00 0.64 C ATOM 2785 CD1 LEU A 181 -8.176 -6.105 0.361 1.00 1.60 C ATOM 2786 CD2 LEU A 181 -7.833 -5.018 2.591 1.00 1.20 C ATOM 0 H LEU A 181 -8.826 -9.221 2.675 1.00 0.49 H new ATOM 0 HA LEU A 181 -8.825 -6.867 4.322 1.00 0.50 H new ATOM 0 HB2 LEU A 181 -9.934 -7.579 1.591 1.00 0.56 H new ATOM 0 HB3 LEU A 181 -10.278 -6.018 2.310 1.00 0.56 H new ATOM 0 HG LEU A 181 -7.437 -7.090 2.142 1.00 0.64 H new ATOM 0 HD11 LEU A 181 -7.194 -5.747 0.051 1.00 1.60 H new ATOM 0 HD12 LEU A 181 -8.400 -7.040 -0.152 1.00 1.60 H new ATOM 0 HD13 LEU A 181 -8.931 -5.361 0.106 1.00 1.60 H new ATOM 0 HD21 LEU A 181 -6.848 -4.678 2.271 1.00 1.20 H new ATOM 0 HD22 LEU A 181 -8.577 -4.262 2.340 1.00 1.20 H new ATOM 0 HD23 LEU A 181 -7.828 -5.179 3.669 1.00 1.20 H new ATOM 2798 N THR A 182 -11.614 -8.563 4.043 1.00 0.49 N ATOM 2799 CA THR A 182 -12.992 -8.710 4.581 1.00 0.51 C ATOM 2800 C THR A 182 -12.948 -8.862 6.102 1.00 0.48 C ATOM 2801 O THR A 182 -13.776 -8.328 6.811 1.00 0.51 O ATOM 2802 CB THR A 182 -13.641 -9.958 3.959 1.00 0.54 C ATOM 2803 OG1 THR A 182 -13.272 -10.046 2.589 1.00 1.16 O ATOM 2804 CG2 THR A 182 -15.165 -9.869 4.071 1.00 1.07 C ATOM 0 H THR A 182 -11.305 -9.330 3.445 1.00 0.49 H new ATOM 0 HA THR A 182 -13.575 -7.823 4.332 1.00 0.51 H new ATOM 0 HB THR A 182 -13.296 -10.844 4.492 1.00 0.54 H new ATOM 0 HG1 THR A 182 -12.387 -10.461 2.515 1.00 1.16 H new ATOM 0 HG21 THR A 182 -15.615 -10.757 3.628 1.00 1.07 H new ATOM 0 HG22 THR A 182 -15.449 -9.804 5.121 1.00 1.07 H new ATOM 0 HG23 THR A 182 -15.517 -8.982 3.544 1.00 1.07 H new ATOM 2812 N ALA A 183 -12.004 -9.608 6.610 1.00 0.45 N ATOM 2813 CA ALA A 183 -11.941 -9.808 8.085 1.00 0.44 C ATOM 2814 C ALA A 183 -11.902 -8.449 8.786 1.00 0.44 C ATOM 2815 O ALA A 183 -12.665 -8.181 9.693 1.00 0.50 O ATOM 2816 CB ALA A 183 -10.687 -10.609 8.440 1.00 0.46 C ATOM 0 H ALA A 183 -11.280 -10.084 6.072 1.00 0.45 H new ATOM 0 HA ALA A 183 -12.823 -10.356 8.414 1.00 0.44 H new ATOM 0 HB1 ALA A 183 -10.642 -10.755 9.519 1.00 0.46 H new ATOM 0 HB2 ALA A 183 -10.722 -11.579 7.944 1.00 0.46 H new ATOM 0 HB3 ALA A 183 -9.802 -10.065 8.110 1.00 0.46 H new ATOM 2822 N SER A 184 -11.006 -7.591 8.368 1.00 0.47 N ATOM 2823 CA SER A 184 -10.896 -6.242 9.002 1.00 0.51 C ATOM 2824 C SER A 184 -12.236 -5.505 8.908 1.00 0.54 C ATOM 2825 O SER A 184 -12.679 -4.873 9.847 1.00 0.56 O ATOM 2826 CB SER A 184 -9.820 -5.429 8.281 1.00 0.62 C ATOM 2827 OG SER A 184 -9.774 -4.119 8.832 1.00 1.55 O ATOM 0 H SER A 184 -10.344 -7.767 7.612 1.00 0.47 H new ATOM 0 HA SER A 184 -10.628 -6.363 10.052 1.00 0.51 H new ATOM 0 HB2 SER A 184 -8.850 -5.914 8.386 1.00 0.62 H new ATOM 0 HB3 SER A 184 -10.038 -5.380 7.214 1.00 0.62 H new ATOM 0 HG SER A 184 -10.119 -3.476 8.177 1.00 1.55 H new ATOM 2833 N LEU A 185 -12.885 -5.591 7.780 1.00 0.58 N ATOM 2834 CA LEU A 185 -14.202 -4.913 7.600 1.00 0.69 C ATOM 2835 C LEU A 185 -15.275 -5.647 8.404 1.00 0.69 C ATOM 2836 O LEU A 185 -16.233 -5.067 8.877 1.00 0.79 O ATOM 2837 CB LEU A 185 -14.578 -4.972 6.117 1.00 0.71 C ATOM 2838 CG LEU A 185 -13.510 -4.252 5.279 1.00 0.79 C ATOM 2839 CD1 LEU A 185 -13.818 -4.455 3.793 1.00 1.62 C ATOM 2840 CD2 LEU A 185 -13.502 -2.744 5.599 1.00 1.18 C ATOM 0 H LEU A 185 -12.556 -6.108 6.965 1.00 0.58 H new ATOM 0 HA LEU A 185 -14.133 -3.880 7.942 1.00 0.69 H new ATOM 0 HB2 LEU A 185 -14.666 -6.010 5.796 1.00 0.71 H new ATOM 0 HB3 LEU A 185 -15.551 -4.506 5.960 1.00 0.71 H new ATOM 0 HG LEU A 185 -12.531 -4.666 5.518 1.00 0.79 H new ATOM 0 HD11 LEU A 185 -13.064 -3.947 3.192 1.00 1.62 H new ATOM 0 HD12 LEU A 185 -13.809 -5.520 3.562 1.00 1.62 H new ATOM 0 HD13 LEU A 185 -14.801 -4.043 3.566 1.00 1.62 H new ATOM 0 HD21 LEU A 185 -12.740 -2.248 4.997 1.00 1.18 H new ATOM 0 HD22 LEU A 185 -14.479 -2.318 5.370 1.00 1.18 H new ATOM 0 HD23 LEU A 185 -13.281 -2.598 6.656 1.00 1.18 H new ATOM 2852 N THR A 186 -15.106 -6.932 8.549 1.00 0.62 N ATOM 2853 CA THR A 186 -16.084 -7.760 9.306 1.00 0.68 C ATOM 2854 C THR A 186 -16.087 -7.386 10.785 1.00 0.62 C ATOM 2855 O THR A 186 -17.127 -7.311 11.409 1.00 0.64 O ATOM 2856 CB THR A 186 -15.677 -9.230 9.192 1.00 0.73 C ATOM 2857 OG1 THR A 186 -15.519 -9.568 7.822 1.00 0.89 O ATOM 2858 CG2 THR A 186 -16.769 -10.103 9.812 1.00 1.00 C ATOM 0 H THR A 186 -14.316 -7.452 8.167 1.00 0.62 H new ATOM 0 HA THR A 186 -17.077 -7.588 8.890 1.00 0.68 H new ATOM 0 HB THR A 186 -14.736 -9.395 9.717 1.00 0.73 H new ATOM 0 HG1 THR A 186 -14.715 -9.134 7.469 1.00 0.89 H new ATOM 0 HG21 THR A 186 -16.484 -11.152 9.734 1.00 1.00 H new ATOM 0 HG22 THR A 186 -16.894 -9.838 10.862 1.00 1.00 H new ATOM 0 HG23 THR A 186 -17.708 -9.941 9.283 1.00 1.00 H new ATOM 2866 N ILE A 187 -14.936 -7.169 11.365 1.00 0.64 N ATOM 2867 CA ILE A 187 -14.896 -6.822 12.815 1.00 0.66 C ATOM 2868 C ILE A 187 -15.129 -5.318 13.001 1.00 0.66 C ATOM 2869 O ILE A 187 -15.806 -4.910 13.923 1.00 0.75 O ATOM 2870 CB ILE A 187 -13.537 -7.234 13.407 1.00 0.72 C ATOM 2871 CG1 ILE A 187 -12.402 -6.489 12.688 1.00 0.88 C ATOM 2872 CG2 ILE A 187 -13.344 -8.743 13.224 1.00 1.57 C ATOM 2873 CD1 ILE A 187 -11.047 -6.961 13.225 1.00 0.87 C ATOM 0 H ILE A 187 -14.029 -7.217 10.901 1.00 0.64 H new ATOM 0 HA ILE A 187 -15.686 -7.361 13.338 1.00 0.66 H new ATOM 0 HB ILE A 187 -13.517 -6.981 14.467 1.00 0.72 H new ATOM 0 HG12 ILE A 187 -12.460 -6.668 11.614 1.00 0.88 H new ATOM 0 HG13 ILE A 187 -12.508 -5.415 12.838 1.00 0.88 H new ATOM 0 HG21 ILE A 187 -12.382 -9.040 13.642 1.00 1.57 H new ATOM 0 HG22 ILE A 187 -14.143 -9.277 13.738 1.00 1.57 H new ATOM 0 HG23 ILE A 187 -13.369 -8.987 12.162 1.00 1.57 H new ATOM 0 HD11 ILE A 187 -10.247 -6.429 12.711 1.00 0.87 H new ATOM 0 HD12 ILE A 187 -10.989 -6.759 14.294 1.00 0.87 H new ATOM 0 HD13 ILE A 187 -10.940 -8.032 13.052 1.00 0.87 H new ATOM 2885 N TRP A 188 -14.527 -4.480 12.203 1.00 0.64 N ATOM 2886 CA TRP A 188 -14.683 -3.016 12.438 1.00 0.70 C ATOM 2887 C TRP A 188 -16.167 -2.618 12.455 1.00 0.81 C ATOM 2888 O TRP A 188 -16.511 -1.490 12.744 1.00 1.06 O ATOM 2889 CB TRP A 188 -13.944 -2.255 11.331 1.00 0.85 C ATOM 2890 CG TRP A 188 -14.240 -0.793 11.423 1.00 0.92 C ATOM 2891 CD1 TRP A 188 -14.947 -0.085 10.512 1.00 1.76 C ATOM 2892 CD2 TRP A 188 -13.851 0.148 12.461 1.00 1.04 C ATOM 2893 NE1 TRP A 188 -15.016 1.232 10.927 1.00 2.01 N ATOM 2894 CE2 TRP A 188 -14.355 1.425 12.124 1.00 1.34 C ATOM 2895 CE3 TRP A 188 -13.117 0.016 13.652 1.00 1.79 C ATOM 2896 CZ2 TRP A 188 -14.138 2.535 12.940 1.00 1.47 C ATOM 2897 CZ3 TRP A 188 -12.896 1.130 14.477 1.00 2.17 C ATOM 2898 CH2 TRP A 188 -13.405 2.387 14.121 1.00 1.71 C ATOM 0 H TRP A 188 -13.942 -4.740 11.409 1.00 0.64 H new ATOM 0 HA TRP A 188 -14.259 -2.763 13.410 1.00 0.70 H new ATOM 0 HB2 TRP A 188 -12.871 -2.422 11.419 1.00 0.85 H new ATOM 0 HB3 TRP A 188 -14.247 -2.634 10.355 1.00 0.85 H new ATOM 0 HD1 TRP A 188 -15.385 -0.483 9.609 1.00 1.76 H new ATOM 0 HE1 TRP A 188 -15.496 1.970 10.412 1.00 2.01 H new ATOM 0 HE3 TRP A 188 -12.721 -0.948 13.934 1.00 1.79 H new ATOM 0 HZ2 TRP A 188 -14.533 3.501 12.662 1.00 1.47 H new ATOM 0 HZ3 TRP A 188 -12.331 1.018 15.391 1.00 2.17 H new ATOM 0 HH2 TRP A 188 -13.231 3.241 14.759 1.00 1.71 H new ATOM 2909 N LYS A 189 -17.045 -3.530 12.130 1.00 0.95 N ATOM 2910 CA LYS A 189 -18.500 -3.202 12.107 1.00 1.23 C ATOM 2911 C LYS A 189 -18.885 -2.410 13.363 1.00 1.53 C ATOM 2912 O LYS A 189 -19.011 -1.202 13.316 1.00 2.02 O ATOM 2913 CB LYS A 189 -19.292 -4.510 12.002 1.00 1.90 C ATOM 2914 CG LYS A 189 -20.792 -4.243 12.186 1.00 2.68 C ATOM 2915 CD LYS A 189 -21.600 -5.526 11.884 1.00 3.60 C ATOM 2916 CE LYS A 189 -22.979 -5.158 11.330 1.00 4.51 C ATOM 2917 NZ LYS A 189 -23.797 -6.394 11.170 1.00 5.09 N ATOM 0 H LYS A 189 -16.816 -4.492 11.879 1.00 0.95 H new ATOM 0 HA LYS A 189 -18.734 -2.576 11.246 1.00 1.23 H new ATOM 0 HB2 LYS A 189 -19.115 -4.973 11.031 1.00 1.90 H new ATOM 0 HB3 LYS A 189 -18.946 -5.214 12.759 1.00 1.90 H new ATOM 0 HG2 LYS A 189 -20.988 -3.912 13.206 1.00 2.68 H new ATOM 0 HG3 LYS A 189 -21.110 -3.439 11.523 1.00 2.68 H new ATOM 0 HD2 LYS A 189 -21.063 -6.143 11.164 1.00 3.60 H new ATOM 0 HD3 LYS A 189 -21.710 -6.119 12.792 1.00 3.60 H new ATOM 0 HE2 LYS A 189 -23.480 -4.463 12.004 1.00 4.51 H new ATOM 0 HE3 LYS A 189 -22.874 -4.652 10.370 1.00 4.51 H new ATOM 0 HZ1 LYS A 189 -24.734 -6.144 10.794 1.00 5.09 H new ATOM 0 HZ2 LYS A 189 -23.321 -7.043 10.511 1.00 5.09 H new ATOM 0 HZ3 LYS A 189 -23.908 -6.859 12.094 1.00 5.09 H new ATOM 2931 N LYS A 190 -19.070 -3.061 14.484 1.00 2.36 N ATOM 2932 CA LYS A 190 -19.439 -2.310 15.728 1.00 3.37 C ATOM 2933 C LYS A 190 -18.775 -2.952 16.944 1.00 3.71 C ATOM 2934 O LYS A 190 -18.246 -2.268 17.797 1.00 4.35 O ATOM 2935 CB LYS A 190 -20.968 -2.297 15.909 1.00 4.30 C ATOM 2936 CG LYS A 190 -21.488 -3.698 16.280 1.00 5.08 C ATOM 2937 CD LYS A 190 -23.029 -3.697 16.328 1.00 5.78 C ATOM 2938 CE LYS A 190 -23.611 -3.970 14.936 1.00 6.76 C ATOM 2939 NZ LYS A 190 -23.359 -5.391 14.564 1.00 7.40 N ATOM 0 H LYS A 190 -18.983 -4.071 14.594 1.00 2.36 H new ATOM 0 HA LYS A 190 -19.088 -1.282 15.633 1.00 3.37 H new ATOM 0 HB2 LYS A 190 -21.240 -1.585 16.688 1.00 4.30 H new ATOM 0 HB3 LYS A 190 -21.445 -1.959 14.989 1.00 4.30 H new ATOM 0 HG2 LYS A 190 -21.140 -4.429 15.550 1.00 5.08 H new ATOM 0 HG3 LYS A 190 -21.087 -3.999 17.248 1.00 5.08 H new ATOM 0 HD2 LYS A 190 -23.377 -4.456 17.029 1.00 5.78 H new ATOM 0 HD3 LYS A 190 -23.386 -2.735 16.696 1.00 5.78 H new ATOM 0 HE2 LYS A 190 -24.682 -3.766 14.931 1.00 6.76 H new ATOM 0 HE3 LYS A 190 -23.156 -3.304 14.203 1.00 6.76 H new ATOM 0 HZ1 LYS A 190 -23.881 -5.620 13.694 1.00 7.40 H new ATOM 0 HZ2 LYS A 190 -22.341 -5.533 14.404 1.00 7.40 H new ATOM 0 HZ3 LYS A 190 -23.679 -6.013 15.334 1.00 7.40 H new ATOM 2953 N MET A 191 -18.801 -4.254 17.043 1.00 3.81 N ATOM 2954 CA MET A 191 -18.178 -4.908 18.225 1.00 4.63 C ATOM 2955 C MET A 191 -18.172 -6.430 18.058 1.00 4.97 C ATOM 2956 O MET A 191 -19.130 -7.011 17.588 1.00 5.27 O ATOM 2957 CB MET A 191 -18.983 -4.555 19.481 1.00 5.48 C ATOM 2958 CG MET A 191 -18.387 -5.275 20.690 1.00 5.71 C ATOM 2959 SD MET A 191 -19.040 -4.536 22.214 1.00 7.00 S ATOM 2960 CE MET A 191 -20.029 -5.945 22.779 1.00 7.52 C ATOM 0 H MET A 191 -19.223 -4.886 16.363 1.00 3.81 H new ATOM 0 HA MET A 191 -17.151 -4.554 18.317 1.00 4.63 H new ATOM 0 HB2 MET A 191 -18.969 -3.477 19.643 1.00 5.48 H new ATOM 0 HB3 MET A 191 -20.026 -4.844 19.350 1.00 5.48 H new ATOM 0 HG2 MET A 191 -18.633 -6.336 20.653 1.00 5.71 H new ATOM 0 HG3 MET A 191 -17.300 -5.199 20.673 1.00 5.71 H new ATOM 0 HE1 MET A 191 -20.521 -5.691 23.718 1.00 7.52 H new ATOM 0 HE2 MET A 191 -20.782 -6.185 22.028 1.00 7.52 H new ATOM 0 HE3 MET A 191 -19.380 -6.807 22.931 1.00 7.52 H new ATOM 2970 N GLY A 192 -17.104 -7.081 18.422 1.00 5.37 N ATOM 2971 CA GLY A 192 -17.055 -8.562 18.263 1.00 6.15 C ATOM 2972 C GLY A 192 -15.687 -9.080 18.705 1.00 6.68 C ATOM 2973 O GLY A 192 -15.637 -9.791 19.695 1.00 7.01 O ATOM 2974 OXT GLY A 192 -14.712 -8.758 18.046 1.00 7.06 O ATOM 0 H GLY A 192 -16.267 -6.656 18.821 1.00 5.37 H new ATOM 0 HA2 GLY A 192 -17.841 -9.028 18.857 1.00 6.15 H new ATOM 0 HA3 GLY A 192 -17.239 -8.833 17.223 1.00 6.15 H new TER 2978 GLY A 192