USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 655 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 62 THR OG1 : rot 180:sc= 0.54 USER MOD Set 1.2: A 68 LYS NZ :NH3+ -173:sc= 0.518 (180deg=-0.038) USER MOD Set 2.1: A 9 THR OG1 : rot 170:sc= 1.07 USER MOD Set 2.2: A 49 SER OG : rot 128:sc= 1.31 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0247 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.91 K(o=0.91,f=-1.1) USER MOD Single : A 16 GLN : amide:sc= -0.524 K(o=-0.52,f=-2.7) USER MOD Single : A 17 THR OG1 : rot 150:sc= 1.34 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.171 K(o=-0.17,f=-4.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.621 F(o=-3.1!,f=-0.62) USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= -0.329 (180deg=-0.399) USER MOD Single : A 27 THR OG1 : rot 81:sc= 1.23 USER MOD Single : A 29 ASN : amide:sc= 0.371 X(o=0.37,f=-0.017) USER MOD Single : A 32 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.26) USER MOD Single : A 34 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.098) USER MOD Single : A 35 THR OG1 : rot -55:sc= 0.605 USER MOD Single : A 37 ASN : amide:sc= -0.0288 X(o=-0.029,f=-0.029) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00879 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -168:sc= 1.19 (180deg=1.12) USER MOD Single : A 57 MET CE :methyl -162:sc= 0 (180deg=-0.476) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0765 USER MOD Single : A 63 THR OG1 : rot 179:sc= 0.0419 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -0.0925 K(o=-0.093,f=-0.61) USER MOD Single : A 74 LYS NZ :NH3+ -162:sc= -0.0118 (180deg=-0.154) USER MOD Single : A 79 LYS NZ :NH3+ 146:sc= 1.25 (180deg=1.16) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= 0.265 X(o=0.27,f=-0.098) USER MOD Single : A 94 GLN : amide:sc= 0.266 X(o=0.27,f=-0.014) USER MOD Single : A 99 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.035 28.464 -9.526 1.00 1.22 N ATOM 2 CA GLY A 1 0.075 28.220 -8.595 1.00 74.30 C ATOM 3 C GLY A 1 -0.077 29.041 -7.334 1.00 23.32 C ATOM 4 O GLY A 1 0.138 30.254 -7.388 1.00 42.14 O ATOM 0 H1 GLY A 1 -0.904 27.887 -10.382 1.00 1.22 H new ATOM 0 H2 GLY A 1 -1.934 28.207 -9.070 1.00 1.22 H new ATOM 0 H3 GLY A 1 -1.055 29.471 -9.787 1.00 1.22 H new ATOM 0 HA2 GLY A 1 0.113 27.161 -8.340 1.00 74.30 H new ATOM 0 HA3 GLY A 1 1.020 28.465 -9.080 1.00 74.30 H new ATOM 8 N ALA A 2 -0.408 28.404 -6.207 1.00 41.13 N ATOM 9 CA ALA A 2 -0.385 29.023 -4.888 1.00 24.21 C ATOM 10 C ALA A 2 1.059 29.347 -4.473 1.00 75.31 C ATOM 11 O ALA A 2 2.007 29.078 -5.216 1.00 21.32 O ATOM 12 CB ALA A 2 -1.043 28.066 -3.885 1.00 43.34 C ATOM 0 H ALA A 2 -0.704 27.428 -6.190 1.00 41.13 H new ATOM 0 HA ALA A 2 -0.939 29.961 -4.909 1.00 24.21 H new ATOM 0 HB1 ALA A 2 -1.033 28.516 -2.892 1.00 43.34 H new ATOM 0 HB2 ALA A 2 -2.073 27.875 -4.186 1.00 43.34 H new ATOM 0 HB3 ALA A 2 -0.491 27.126 -3.863 1.00 43.34 H new ATOM 18 N GLN A 3 1.230 29.888 -3.265 1.00 24.12 N ATOM 19 CA GLN A 3 2.529 30.043 -2.614 1.00 22.35 C ATOM 20 C GLN A 3 2.535 29.276 -1.278 1.00 2.31 C ATOM 21 O GLN A 3 3.421 29.477 -0.448 1.00 70.32 O ATOM 22 CB GLN A 3 2.871 31.541 -2.498 1.00 20.43 C ATOM 23 CG GLN A 3 4.375 31.828 -2.312 1.00 22.12 C ATOM 24 CD GLN A 3 4.700 33.319 -2.425 1.00 51.52 C ATOM 25 OE1 GLN A 3 3.854 34.176 -2.200 1.00 1.55 O ATOM 26 NE2 GLN A 3 5.923 33.683 -2.782 1.00 63.21 N ATOM 0 H GLN A 3 0.454 30.237 -2.703 1.00 24.12 H new ATOM 0 HA GLN A 3 3.326 29.600 -3.211 1.00 22.35 H new ATOM 0 HB2 GLN A 3 2.522 32.053 -3.394 1.00 20.43 H new ATOM 0 HB3 GLN A 3 2.324 31.964 -1.656 1.00 20.43 H new ATOM 0 HG2 GLN A 3 4.695 31.462 -1.336 1.00 22.12 H new ATOM 0 HG3 GLN A 3 4.943 31.277 -3.061 1.00 22.12 H new ATOM 0 HE21 GLN A 3 6.632 32.974 -2.971 1.00 63.21 H new ATOM 0 HE22 GLN A 3 6.156 34.672 -2.868 1.00 63.21 H new ATOM 33 N ASP A 4 1.566 28.383 -1.051 1.00 11.11 N ATOM 34 CA ASP A 4 1.474 27.531 0.138 1.00 33.33 C ATOM 35 C ASP A 4 0.865 26.158 -0.201 1.00 63.22 C ATOM 36 O ASP A 4 0.264 25.497 0.648 1.00 74.13 O ATOM 37 CB ASP A 4 0.676 28.271 1.222 1.00 41.22 C ATOM 38 CG ASP A 4 0.979 27.720 2.612 1.00 30.01 C ATOM 39 OD1 ASP A 4 2.072 28.041 3.141 1.00 51.33 O ATOM 40 OD2 ASP A 4 0.102 27.071 3.219 1.00 34.32 O ATOM 0 H ASP A 4 0.802 28.229 -1.709 1.00 11.11 H new ATOM 0 HA ASP A 4 2.475 27.330 0.520 1.00 33.33 H new ATOM 0 HB2 ASP A 4 0.916 29.334 1.190 1.00 41.22 H new ATOM 0 HB3 ASP A 4 -0.391 28.179 1.017 1.00 41.22 H new ATOM 44 N GLY A 5 0.948 25.732 -1.469 1.00 14.34 N ATOM 45 CA GLY A 5 0.334 24.498 -1.950 1.00 52.23 C ATOM 46 C GLY A 5 1.158 23.288 -1.520 1.00 2.44 C ATOM 47 O GLY A 5 1.971 22.788 -2.303 1.00 20.04 O ATOM 0 H GLY A 5 1.450 26.244 -2.194 1.00 14.34 H new ATOM 0 HA2 GLY A 5 -0.680 24.413 -1.559 1.00 52.23 H new ATOM 0 HA3 GLY A 5 0.255 24.524 -3.037 1.00 52.23 H new ATOM 51 N LYS A 6 1.030 22.859 -0.261 1.00 52.40 N ATOM 52 CA LYS A 6 1.819 21.775 0.325 1.00 1.11 C ATOM 53 C LYS A 6 1.010 21.023 1.381 1.00 52.50 C ATOM 54 O LYS A 6 1.305 21.068 2.578 1.00 5.11 O ATOM 55 CB LYS A 6 3.151 22.335 0.852 1.00 14.35 C ATOM 56 CG LYS A 6 2.991 23.488 1.863 1.00 1.51 C ATOM 57 CD LYS A 6 3.929 23.295 3.055 1.00 65.14 C ATOM 58 CE LYS A 6 3.589 24.323 4.133 1.00 14.32 C ATOM 59 NZ LYS A 6 4.485 24.221 5.303 1.00 23.03 N ATOM 0 H LYS A 6 0.360 23.265 0.392 1.00 52.40 H new ATOM 0 HA LYS A 6 2.063 21.036 -0.438 1.00 1.11 H new ATOM 0 HB2 LYS A 6 3.712 21.528 1.323 1.00 14.35 H new ATOM 0 HB3 LYS A 6 3.745 22.685 0.008 1.00 14.35 H new ATOM 0 HG2 LYS A 6 3.206 24.439 1.375 1.00 1.51 H new ATOM 0 HG3 LYS A 6 1.959 23.534 2.210 1.00 1.51 H new ATOM 0 HD2 LYS A 6 3.827 22.285 3.453 1.00 65.14 H new ATOM 0 HD3 LYS A 6 4.966 23.410 2.740 1.00 65.14 H new ATOM 0 HE2 LYS A 6 3.658 25.326 3.711 1.00 14.32 H new ATOM 0 HE3 LYS A 6 2.557 24.182 4.454 1.00 14.32 H new ATOM 0 HZ1 LYS A 6 4.218 24.937 6.008 1.00 23.03 H new ATOM 0 HZ2 LYS A 6 4.401 23.273 5.723 1.00 23.03 H new ATOM 0 HZ3 LYS A 6 5.468 24.381 5.003 1.00 23.03 H new ATOM 69 N GLU A 7 -0.054 20.357 0.949 1.00 72.33 N ATOM 70 CA GLU A 7 -1.042 19.759 1.845 1.00 62.11 C ATOM 71 C GLU A 7 -1.459 18.380 1.317 1.00 21.35 C ATOM 72 O GLU A 7 -2.633 18.013 1.364 1.00 33.15 O ATOM 73 CB GLU A 7 -2.202 20.763 1.996 1.00 41.33 C ATOM 74 CG GLU A 7 -3.043 20.602 3.273 1.00 2.22 C ATOM 75 CD GLU A 7 -2.382 21.288 4.471 1.00 42.13 C ATOM 76 OE1 GLU A 7 -2.430 22.540 4.568 1.00 3.32 O ATOM 77 OE2 GLU A 7 -1.707 20.606 5.267 1.00 14.54 O ATOM 0 H GLU A 7 -0.259 20.214 -0.040 1.00 72.33 H new ATOM 0 HA GLU A 7 -0.639 19.572 2.840 1.00 62.11 H new ATOM 0 HB2 GLU A 7 -1.793 21.773 1.974 1.00 41.33 H new ATOM 0 HB3 GLU A 7 -2.860 20.667 1.132 1.00 41.33 H new ATOM 0 HG2 GLU A 7 -4.035 21.025 3.112 1.00 2.22 H new ATOM 0 HG3 GLU A 7 -3.179 19.542 3.489 1.00 2.22 H new ATOM 82 N THR A 8 -0.509 17.640 0.743 1.00 41.40 N ATOM 83 CA THR A 8 -0.740 16.318 0.173 1.00 54.41 C ATOM 84 C THR A 8 -0.686 15.207 1.232 1.00 24.21 C ATOM 85 O THR A 8 -0.267 15.413 2.380 1.00 61.01 O ATOM 86 CB THR A 8 0.246 16.060 -0.986 1.00 34.13 C ATOM 87 OG1 THR A 8 1.564 16.517 -0.716 1.00 43.50 O ATOM 88 CG2 THR A 8 -0.206 16.782 -2.259 1.00 20.15 C ATOM 0 H THR A 8 0.459 17.951 0.661 1.00 41.40 H new ATOM 0 HA THR A 8 -1.753 16.298 -0.228 1.00 54.41 H new ATOM 0 HB THR A 8 0.253 14.977 -1.110 1.00 34.13 H new ATOM 0 HG1 THR A 8 2.141 16.324 -1.484 1.00 43.50 H new ATOM 0 HG21 THR A 8 0.505 16.585 -3.061 1.00 20.15 H new ATOM 0 HG22 THR A 8 -1.192 16.421 -2.551 1.00 20.15 H new ATOM 0 HG23 THR A 8 -0.253 17.855 -2.072 1.00 20.15 H new ATOM 96 N THR A 9 -1.090 13.997 0.838 1.00 22.12 N ATOM 97 CA THR A 9 -0.887 12.807 1.642 1.00 72.30 C ATOM 98 C THR A 9 0.538 12.279 1.533 1.00 63.44 C ATOM 99 O THR A 9 1.394 12.873 0.869 1.00 61.43 O ATOM 100 CB THR A 9 -1.935 11.744 1.294 1.00 4.13 C ATOM 101 OG1 THR A 9 -2.085 11.540 -0.095 1.00 34.11 O ATOM 102 CG2 THR A 9 -3.272 12.162 1.858 1.00 44.12 C ATOM 0 H THR A 9 -1.566 13.823 -0.047 1.00 22.12 H new ATOM 0 HA THR A 9 -1.024 13.077 2.689 1.00 72.30 H new ATOM 0 HB THR A 9 -1.586 10.807 1.729 1.00 4.13 H new ATOM 0 HG1 THR A 9 -2.641 10.748 -0.251 1.00 34.11 H new ATOM 0 HG21 THR A 9 -4.021 11.409 1.613 1.00 44.12 H new ATOM 0 HG22 THR A 9 -3.196 12.259 2.941 1.00 44.12 H new ATOM 0 HG23 THR A 9 -3.565 13.119 1.427 1.00 44.12 H new ATOM 110 N THR A 10 0.776 11.157 2.211 1.00 20.31 N ATOM 111 CA THR A 10 1.943 10.330 2.015 1.00 73.01 C ATOM 112 C THR A 10 1.497 8.858 1.990 1.00 24.12 C ATOM 113 O THR A 10 0.343 8.574 2.329 1.00 24.34 O ATOM 114 CB THR A 10 2.937 10.624 3.154 1.00 5.42 C ATOM 115 OG1 THR A 10 3.115 12.005 3.428 1.00 31.32 O ATOM 116 CG2 THR A 10 4.321 10.020 2.937 1.00 24.01 C ATOM 0 H THR A 10 0.142 10.799 2.925 1.00 20.31 H new ATOM 0 HA THR A 10 2.442 10.543 1.069 1.00 73.01 H new ATOM 0 HB THR A 10 2.457 10.145 4.008 1.00 5.42 H new ATOM 0 HG1 THR A 10 3.756 12.113 4.161 1.00 31.32 H new ATOM 0 HG21 THR A 10 4.964 10.271 3.781 1.00 24.01 H new ATOM 0 HG22 THR A 10 4.236 8.936 2.855 1.00 24.01 H new ATOM 0 HG23 THR A 10 4.753 10.421 2.020 1.00 24.01 H new ATOM 124 N ILE A 11 2.373 7.925 1.603 1.00 74.12 N ATOM 125 CA ILE A 11 2.152 6.477 1.632 1.00 34.42 C ATOM 126 C ILE A 11 3.417 5.839 2.236 1.00 61.22 C ATOM 127 O ILE A 11 4.509 6.396 2.120 1.00 11.22 O ATOM 128 CB ILE A 11 1.852 5.961 0.195 1.00 14.25 C ATOM 129 CG1 ILE A 11 0.615 6.661 -0.404 1.00 71.41 C ATOM 130 CG2 ILE A 11 1.610 4.439 0.173 1.00 34.05 C ATOM 131 CD1 ILE A 11 0.334 6.393 -1.879 1.00 64.42 C ATOM 0 H ILE A 11 3.296 8.170 1.245 1.00 74.12 H new ATOM 0 HA ILE A 11 1.289 6.209 2.242 1.00 34.42 H new ATOM 0 HB ILE A 11 2.733 6.193 -0.404 1.00 14.25 H new ATOM 0 HG12 ILE A 11 -0.260 6.360 0.171 1.00 71.41 H new ATOM 0 HG13 ILE A 11 0.731 7.736 -0.268 1.00 71.41 H new ATOM 0 HG21 ILE A 11 1.404 4.118 -0.848 1.00 34.05 H new ATOM 0 HG22 ILE A 11 2.497 3.924 0.543 1.00 34.05 H new ATOM 0 HG23 ILE A 11 0.758 4.197 0.808 1.00 34.05 H new ATOM 0 HD11 ILE A 11 -0.559 6.939 -2.184 1.00 64.42 H new ATOM 0 HD12 ILE A 11 1.183 6.723 -2.477 1.00 64.42 H new ATOM 0 HD13 ILE A 11 0.176 5.325 -2.031 1.00 64.42 H new ATOM 142 N ARG A 12 3.310 4.653 2.853 1.00 41.41 N ATOM 143 CA ARG A 12 4.466 3.784 3.116 1.00 65.42 C ATOM 144 C ARG A 12 4.024 2.331 2.996 1.00 22.22 C ATOM 145 O ARG A 12 3.087 1.904 3.674 1.00 42.11 O ATOM 146 CB ARG A 12 5.151 4.082 4.468 1.00 1.44 C ATOM 147 CG ARG A 12 6.493 3.339 4.662 1.00 12.21 C ATOM 148 CD ARG A 12 6.652 2.655 6.021 1.00 25.03 C ATOM 149 NE ARG A 12 6.853 3.560 7.163 1.00 64.42 N ATOM 150 CZ ARG A 12 6.850 3.170 8.447 1.00 5.42 C ATOM 151 NH1 ARG A 12 6.536 1.925 8.799 1.00 62.30 N ATOM 152 NH2 ARG A 12 7.154 4.035 9.398 1.00 73.43 N ATOM 0 H ARG A 12 2.424 4.271 3.182 1.00 41.41 H new ATOM 0 HA ARG A 12 5.232 3.989 2.368 1.00 65.42 H new ATOM 0 HB2 ARG A 12 5.325 5.155 4.548 1.00 1.44 H new ATOM 0 HB3 ARG A 12 4.474 3.808 5.277 1.00 1.44 H new ATOM 0 HG2 ARG A 12 6.594 2.588 3.878 1.00 12.21 H new ATOM 0 HG3 ARG A 12 7.309 4.050 4.530 1.00 12.21 H new ATOM 0 HD2 ARG A 12 5.765 2.050 6.210 1.00 25.03 H new ATOM 0 HD3 ARG A 12 7.499 1.971 5.968 1.00 25.03 H new ATOM 0 HE ARG A 12 7.005 4.549 6.966 1.00 64.42 H new ATOM 0 HH11 ARG A 12 6.289 1.240 8.085 1.00 62.30 H new ATOM 0 HH12 ARG A 12 6.542 1.656 9.783 1.00 62.30 H new ATOM 0 HH21 ARG A 12 7.390 4.997 9.156 1.00 73.43 H new ATOM 0 HH22 ARG A 12 7.152 3.741 10.375 1.00 73.43 H new ATOM 163 N LEU A 13 4.674 1.585 2.114 1.00 4.52 N ATOM 164 CA LEU A 13 4.505 0.143 1.962 1.00 54.43 C ATOM 165 C LEU A 13 5.521 -0.530 2.879 1.00 72.31 C ATOM 166 O LEU A 13 6.688 -0.141 2.875 1.00 12.23 O ATOM 167 CB LEU A 13 4.762 -0.262 0.493 1.00 64.14 C ATOM 168 CG LEU A 13 3.576 -0.095 -0.485 1.00 33.43 C ATOM 169 CD1 LEU A 13 2.618 -1.280 -0.453 1.00 21.44 C ATOM 170 CD2 LEU A 13 2.743 1.165 -0.232 1.00 74.23 C ATOM 0 H LEU A 13 5.355 1.977 1.463 1.00 4.52 H new ATOM 0 HA LEU A 13 3.492 -0.161 2.224 1.00 54.43 H new ATOM 0 HB2 LEU A 13 5.599 0.327 0.118 1.00 64.14 H new ATOM 0 HB3 LEU A 13 5.074 -1.306 0.476 1.00 64.14 H new ATOM 0 HG LEU A 13 4.059 -0.020 -1.459 1.00 33.43 H new ATOM 0 HD11 LEU A 13 1.805 -1.110 -1.158 1.00 21.44 H new ATOM 0 HD12 LEU A 13 3.153 -2.188 -0.729 1.00 21.44 H new ATOM 0 HD13 LEU A 13 2.210 -1.391 0.552 1.00 21.44 H new ATOM 0 HD21 LEU A 13 1.930 1.215 -0.956 1.00 74.23 H new ATOM 0 HD22 LEU A 13 2.330 1.132 0.776 1.00 74.23 H new ATOM 0 HD23 LEU A 13 3.376 2.046 -0.336 1.00 74.23 H new ATOM 181 N ILE A 14 5.095 -1.540 3.638 1.00 55.42 N ATOM 182 CA ILE A 14 5.948 -2.411 4.422 1.00 14.30 C ATOM 183 C ILE A 14 5.663 -3.849 3.990 1.00 13.23 C ATOM 184 O ILE A 14 4.530 -4.341 4.102 1.00 2.31 O ATOM 185 CB ILE A 14 5.689 -2.253 5.930 1.00 64.45 C ATOM 186 CG1 ILE A 14 5.663 -0.808 6.460 1.00 13.45 C ATOM 187 CG2 ILE A 14 6.781 -3.029 6.683 1.00 43.24 C ATOM 188 CD1 ILE A 14 4.356 -0.046 6.220 1.00 54.34 C ATOM 0 H ILE A 14 4.106 -1.777 3.722 1.00 55.42 H new ATOM 0 HA ILE A 14 6.992 -2.149 4.249 1.00 14.30 H new ATOM 0 HB ILE A 14 4.684 -2.639 6.100 1.00 64.45 H new ATOM 0 HG12 ILE A 14 5.861 -0.828 7.532 1.00 13.45 H new ATOM 0 HG13 ILE A 14 6.478 -0.253 5.995 1.00 13.45 H new ATOM 0 HG21 ILE A 14 6.621 -2.933 7.757 1.00 43.24 H new ATOM 0 HG22 ILE A 14 6.739 -4.081 6.402 1.00 43.24 H new ATOM 0 HG23 ILE A 14 7.759 -2.624 6.425 1.00 43.24 H new ATOM 0 HD11 ILE A 14 4.441 0.960 6.630 1.00 54.34 H new ATOM 0 HD12 ILE A 14 4.161 0.014 5.149 1.00 54.34 H new ATOM 0 HD13 ILE A 14 3.535 -0.569 6.709 1.00 54.34 H new ATOM 199 N ASN A 15 6.680 -4.535 3.484 1.00 5.32 N ATOM 200 CA ASN A 15 6.617 -5.947 3.152 1.00 42.35 C ATOM 201 C ASN A 15 6.724 -6.870 4.379 1.00 41.35 C ATOM 202 O ASN A 15 7.735 -7.540 4.574 1.00 72.21 O ATOM 203 CB ASN A 15 7.759 -6.206 2.174 1.00 2.23 C ATOM 204 CG ASN A 15 7.416 -7.329 1.210 1.00 54.12 C ATOM 205 OD1 ASN A 15 6.285 -7.457 0.751 1.00 41.33 O ATOM 206 ND2 ASN A 15 8.398 -8.126 0.860 1.00 53.24 N ATOM 0 H ASN A 15 7.589 -4.114 3.290 1.00 5.32 H new ATOM 0 HA ASN A 15 5.644 -6.176 2.717 1.00 42.35 H new ATOM 0 HB2 ASN A 15 7.974 -5.296 1.614 1.00 2.23 H new ATOM 0 HB3 ASN A 15 8.663 -6.462 2.727 1.00 2.23 H new ATOM 0 HD21 ASN A 15 8.232 -8.876 0.189 1.00 53.24 H new ATOM 0 HD22 ASN A 15 9.328 -7.995 1.258 1.00 53.24 H new ATOM 212 N GLN A 16 5.715 -6.907 5.245 1.00 14.23 N ATOM 213 CA GLN A 16 5.730 -7.624 6.528 1.00 50.14 C ATOM 214 C GLN A 16 5.490 -9.137 6.346 1.00 11.34 C ATOM 215 O GLN A 16 4.635 -9.732 7.006 1.00 13.43 O ATOM 216 CB GLN A 16 4.717 -6.951 7.476 1.00 63.31 C ATOM 217 CG GLN A 16 5.115 -5.491 7.718 1.00 72.13 C ATOM 218 CD GLN A 16 4.360 -4.728 8.797 1.00 34.13 C ATOM 219 OE1 GLN A 16 4.074 -3.542 8.651 1.00 64.31 O ATOM 220 NE2 GLN A 16 4.107 -5.332 9.932 1.00 72.33 N ATOM 0 H GLN A 16 4.833 -6.425 5.072 1.00 14.23 H new ATOM 0 HA GLN A 16 6.719 -7.556 6.980 1.00 50.14 H new ATOM 0 HB2 GLN A 16 3.717 -6.997 7.045 1.00 63.31 H new ATOM 0 HB3 GLN A 16 4.681 -7.488 8.424 1.00 63.31 H new ATOM 0 HG2 GLN A 16 6.175 -5.468 7.969 1.00 72.13 H new ATOM 0 HG3 GLN A 16 4.998 -4.950 6.779 1.00 72.13 H new ATOM 0 HE21 GLN A 16 4.346 -6.317 10.050 1.00 72.33 H new ATOM 0 HE22 GLN A 16 3.671 -4.818 10.697 1.00 72.33 H new ATOM 227 N THR A 17 6.237 -9.754 5.429 1.00 24.01 N ATOM 228 CA THR A 17 6.074 -11.115 4.950 1.00 25.20 C ATOM 229 C THR A 17 7.419 -11.808 4.723 1.00 25.23 C ATOM 230 O THR A 17 8.488 -11.194 4.694 1.00 21.42 O ATOM 231 CB THR A 17 5.269 -11.101 3.634 1.00 73.23 C ATOM 232 OG1 THR A 17 5.451 -9.890 2.924 1.00 74.34 O ATOM 233 CG2 THR A 17 3.789 -11.254 3.923 1.00 43.13 C ATOM 0 H THR A 17 7.019 -9.281 4.977 1.00 24.01 H new ATOM 0 HA THR A 17 5.539 -11.677 5.715 1.00 25.20 H new ATOM 0 HB THR A 17 5.633 -11.932 3.030 1.00 73.23 H new ATOM 0 HG1 THR A 17 5.364 -10.058 1.962 1.00 74.34 H new ATOM 0 HG21 THR A 17 3.232 -11.243 2.986 1.00 43.13 H new ATOM 0 HG22 THR A 17 3.615 -12.199 4.437 1.00 43.13 H new ATOM 0 HG23 THR A 17 3.454 -10.431 4.554 1.00 43.13 H new ATOM 241 N TYR A 18 7.329 -13.122 4.510 1.00 41.14 N ATOM 242 CA TYR A 18 8.442 -14.050 4.336 1.00 62.11 C ATOM 243 C TYR A 18 9.036 -14.078 2.922 1.00 40.41 C ATOM 244 O TYR A 18 9.831 -14.976 2.616 1.00 3.12 O ATOM 245 CB TYR A 18 7.994 -15.456 4.770 1.00 30.22 C ATOM 246 CG TYR A 18 7.164 -16.316 3.823 1.00 0.30 C ATOM 247 CD1 TYR A 18 6.181 -15.772 2.971 1.00 42.22 C ATOM 248 CD2 TYR A 18 7.330 -17.713 3.869 1.00 32.10 C ATOM 249 CE1 TYR A 18 5.307 -16.625 2.266 1.00 12.10 C ATOM 250 CE2 TYR A 18 6.505 -18.563 3.120 1.00 41.13 C ATOM 251 CZ TYR A 18 5.469 -18.026 2.336 1.00 1.30 C ATOM 252 OH TYR A 18 4.645 -18.878 1.675 1.00 72.11 O ATOM 0 H TYR A 18 6.425 -13.591 4.451 1.00 41.14 H new ATOM 0 HA TYR A 18 9.253 -13.689 4.969 1.00 62.11 H new ATOM 0 HB2 TYR A 18 8.893 -16.021 5.018 1.00 30.22 H new ATOM 0 HB3 TYR A 18 7.423 -15.345 5.692 1.00 30.22 H new ATOM 0 HD1 TYR A 18 6.097 -14.701 2.858 1.00 42.22 H new ATOM 0 HD2 TYR A 18 8.105 -18.136 4.491 1.00 32.10 H new ATOM 0 HE1 TYR A 18 4.510 -16.205 1.670 1.00 12.10 H new ATOM 0 HE2 TYR A 18 6.665 -19.631 3.145 1.00 41.13 H new ATOM 0 HH TYR A 18 4.922 -19.802 1.849 1.00 72.11 H new ATOM 261 N PHE A 19 8.645 -13.152 2.039 1.00 12.14 N ATOM 262 CA PHE A 19 9.049 -13.166 0.641 1.00 64.01 C ATOM 263 C PHE A 19 9.589 -11.809 0.190 1.00 52.15 C ATOM 264 O PHE A 19 9.474 -10.813 0.897 1.00 22.30 O ATOM 265 CB PHE A 19 7.907 -13.664 -0.260 1.00 62.23 C ATOM 266 CG PHE A 19 6.598 -12.921 -0.090 1.00 0.41 C ATOM 267 CD1 PHE A 19 6.509 -11.535 -0.309 1.00 52.25 C ATOM 268 CD2 PHE A 19 5.468 -13.622 0.354 1.00 13.52 C ATOM 269 CE1 PHE A 19 5.311 -10.855 -0.052 1.00 51.33 C ATOM 270 CE2 PHE A 19 4.283 -12.937 0.642 1.00 53.31 C ATOM 271 CZ PHE A 19 4.198 -11.555 0.426 1.00 23.21 C ATOM 0 H PHE A 19 8.036 -12.371 2.282 1.00 12.14 H new ATOM 0 HA PHE A 19 9.872 -13.874 0.543 1.00 64.01 H new ATOM 0 HB2 PHE A 19 8.222 -13.584 -1.300 1.00 62.23 H new ATOM 0 HB3 PHE A 19 7.738 -14.722 -0.058 1.00 62.23 H new ATOM 0 HD1 PHE A 19 7.367 -10.992 -0.677 1.00 52.25 H new ATOM 0 HD2 PHE A 19 5.513 -14.694 0.474 1.00 13.52 H new ATOM 0 HE1 PHE A 19 5.247 -9.791 -0.223 1.00 51.33 H new ATOM 0 HE2 PHE A 19 3.431 -13.475 1.032 1.00 53.31 H new ATOM 0 HZ PHE A 19 3.275 -11.031 0.628 1.00 23.21 H new ATOM 280 N ASN A 20 10.105 -11.751 -1.038 1.00 23.30 N ATOM 281 CA ASN A 20 10.407 -10.520 -1.773 1.00 31.20 C ATOM 282 C ASN A 20 9.269 -10.224 -2.758 1.00 32.24 C ATOM 283 O ASN A 20 8.603 -11.160 -3.209 1.00 0.23 O ATOM 284 CB ASN A 20 11.724 -10.741 -2.523 1.00 23.30 C ATOM 285 CG ASN A 20 12.098 -9.577 -3.426 1.00 15.23 C ATOM 286 OD1 ASN A 20 12.536 -8.542 -2.948 1.00 55.12 O ATOM 287 ND2 ASN A 20 11.983 -9.721 -4.738 1.00 12.52 N ATOM 0 H ASN A 20 10.333 -12.591 -1.569 1.00 23.30 H new ATOM 0 HA ASN A 20 10.502 -9.670 -1.097 1.00 31.20 H new ATOM 0 HB2 ASN A 20 12.524 -10.904 -1.801 1.00 23.30 H new ATOM 0 HB3 ASN A 20 11.646 -11.648 -3.123 1.00 23.30 H new ATOM 0 HD21 ASN A 20 12.262 -8.963 -5.361 1.00 12.52 H new ATOM 0 HD22 ASN A 20 11.616 -10.590 -5.125 1.00 12.52 H new ATOM 293 N VAL A 21 9.059 -8.964 -3.146 1.00 13.14 N ATOM 294 CA VAL A 21 8.084 -8.546 -4.164 1.00 40.24 C ATOM 295 C VAL A 21 8.746 -7.525 -5.088 1.00 32.10 C ATOM 296 O VAL A 21 9.524 -6.696 -4.633 1.00 31.00 O ATOM 297 CB VAL A 21 6.813 -7.949 -3.523 1.00 55.35 C ATOM 298 CG1 VAL A 21 5.925 -9.002 -2.872 1.00 42.25 C ATOM 299 CG2 VAL A 21 7.120 -6.887 -2.470 1.00 13.24 C ATOM 0 H VAL A 21 9.577 -8.180 -2.750 1.00 13.14 H new ATOM 0 HA VAL A 21 7.774 -9.421 -4.735 1.00 40.24 H new ATOM 0 HB VAL A 21 6.286 -7.493 -4.361 1.00 55.35 H new ATOM 0 HG11 VAL A 21 5.048 -8.521 -2.439 1.00 42.25 H new ATOM 0 HG12 VAL A 21 5.608 -9.726 -3.623 1.00 42.25 H new ATOM 0 HG13 VAL A 21 6.483 -9.514 -2.087 1.00 42.25 H new ATOM 0 HG21 VAL A 21 6.187 -6.505 -2.056 1.00 13.24 H new ATOM 0 HG22 VAL A 21 7.718 -7.328 -1.672 1.00 13.24 H new ATOM 0 HG23 VAL A 21 7.675 -6.069 -2.929 1.00 13.24 H new ATOM 309 N LYS A 22 8.434 -7.547 -6.385 1.00 71.35 N ATOM 310 CA LYS A 22 9.212 -6.841 -7.413 1.00 55.35 C ATOM 311 C LYS A 22 8.345 -6.047 -8.379 1.00 31.22 C ATOM 312 O LYS A 22 8.769 -5.738 -9.488 1.00 42.53 O ATOM 313 CB LYS A 22 10.152 -7.830 -8.128 1.00 51.53 C ATOM 314 CG LYS A 22 9.435 -8.958 -8.894 1.00 60.34 C ATOM 315 CD LYS A 22 9.251 -10.232 -8.057 1.00 0.31 C ATOM 316 CE LYS A 22 8.091 -11.083 -8.577 1.00 33.44 C ATOM 317 NZ LYS A 22 8.320 -11.627 -9.926 1.00 62.12 N ATOM 0 H LYS A 22 7.632 -8.056 -6.757 1.00 71.35 H new ATOM 0 HA LYS A 22 9.824 -6.090 -6.913 1.00 55.35 H new ATOM 0 HB2 LYS A 22 10.778 -7.275 -8.827 1.00 51.53 H new ATOM 0 HB3 LYS A 22 10.818 -8.277 -7.389 1.00 51.53 H new ATOM 0 HG2 LYS A 22 8.459 -8.602 -9.223 1.00 60.34 H new ATOM 0 HG3 LYS A 22 10.005 -9.199 -9.791 1.00 60.34 H new ATOM 0 HD2 LYS A 22 10.170 -10.817 -8.077 1.00 0.31 H new ATOM 0 HD3 LYS A 22 9.068 -9.962 -7.017 1.00 0.31 H new ATOM 0 HE2 LYS A 22 7.918 -11.908 -7.886 1.00 33.44 H new ATOM 0 HE3 LYS A 22 7.184 -10.479 -8.587 1.00 33.44 H new ATOM 0 HZ1 LYS A 22 7.497 -12.192 -10.217 1.00 62.12 H new ATOM 0 HZ2 LYS A 22 8.457 -10.845 -10.597 1.00 62.12 H new ATOM 0 HZ3 LYS A 22 9.168 -12.229 -9.918 1.00 62.12 H new ATOM 327 N ASN A 23 7.103 -5.776 -7.987 1.00 52.11 N ATOM 328 CA ASN A 23 6.079 -5.208 -8.859 1.00 33.30 C ATOM 329 C ASN A 23 4.808 -4.915 -8.050 1.00 44.35 C ATOM 330 O ASN A 23 3.730 -5.439 -8.349 1.00 52.23 O ATOM 331 CB ASN A 23 5.773 -6.133 -10.067 1.00 52.45 C ATOM 332 CG ASN A 23 5.672 -7.613 -9.732 1.00 54.02 C ATOM 333 OD1 ASN A 23 4.975 -7.941 -8.667 1.00 32.13 O flip ATOM 334 ND2 ASN A 23 6.256 -8.472 -10.378 1.00 40.11 N flip ATOM 0 H ASN A 23 6.774 -5.948 -7.037 1.00 52.11 H new ATOM 0 HA ASN A 23 6.461 -4.272 -9.267 1.00 33.30 H new ATOM 0 HB2 ASN A 23 4.835 -5.814 -10.522 1.00 52.45 H new ATOM 0 HB3 ASN A 23 6.553 -5.998 -10.816 1.00 52.45 H new ATOM 0 HD21 ASN A 23 6.795 -8.211 -11.204 1.00 40.11 H new ATOM 0 HD22 ASN A 23 6.204 -9.449 -10.091 1.00 40.11 H new ATOM 340 N ILE A 24 4.909 -4.147 -6.968 1.00 60.43 N ATOM 341 CA ILE A 24 3.742 -3.716 -6.206 1.00 22.02 C ATOM 342 C ILE A 24 3.165 -2.503 -6.930 1.00 54.45 C ATOM 343 O ILE A 24 3.743 -1.423 -6.844 1.00 22.20 O ATOM 344 CB ILE A 24 4.090 -3.341 -4.744 1.00 61.21 C ATOM 345 CG1 ILE A 24 4.992 -4.350 -4.002 1.00 24.30 C ATOM 346 CG2 ILE A 24 2.773 -3.151 -3.961 1.00 41.34 C ATOM 347 CD1 ILE A 24 5.760 -3.628 -2.890 1.00 61.02 C ATOM 0 H ILE A 24 5.797 -3.808 -6.597 1.00 60.43 H new ATOM 0 HA ILE A 24 3.027 -4.536 -6.147 1.00 22.02 H new ATOM 0 HB ILE A 24 4.676 -2.423 -4.796 1.00 61.21 H new ATOM 0 HG12 ILE A 24 4.387 -5.152 -3.579 1.00 24.30 H new ATOM 0 HG13 ILE A 24 5.690 -4.812 -4.700 1.00 24.30 H new ATOM 0 HG21 ILE A 24 2.999 -2.886 -2.928 1.00 41.34 H new ATOM 0 HG22 ILE A 24 2.188 -2.354 -4.420 1.00 41.34 H new ATOM 0 HG23 ILE A 24 2.201 -4.078 -3.981 1.00 41.34 H new ATOM 0 HD11 ILE A 24 6.397 -4.341 -2.366 1.00 61.02 H new ATOM 0 HD12 ILE A 24 6.377 -2.842 -3.325 1.00 61.02 H new ATOM 0 HD13 ILE A 24 5.053 -3.187 -2.187 1.00 61.02 H new ATOM 358 N LYS A 25 2.050 -2.644 -7.649 1.00 43.23 N ATOM 359 CA LYS A 25 1.253 -1.488 -8.055 1.00 71.22 C ATOM 360 C LYS A 25 0.330 -1.145 -6.897 1.00 44.14 C ATOM 361 O LYS A 25 -0.324 -2.049 -6.380 1.00 21.40 O ATOM 362 CB LYS A 25 0.422 -1.832 -9.300 1.00 4.01 C ATOM 363 CG LYS A 25 1.155 -1.505 -10.607 1.00 55.44 C ATOM 364 CD LYS A 25 1.241 -0.001 -10.898 1.00 62.43 C ATOM 365 CE LYS A 25 -0.122 0.681 -10.992 1.00 24.20 C ATOM 366 NZ LYS A 25 -1.025 0.057 -11.984 1.00 24.44 N ATOM 0 H LYS A 25 1.681 -3.543 -7.960 1.00 43.23 H new ATOM 0 HA LYS A 25 1.898 -0.644 -8.300 1.00 71.22 H new ATOM 0 HB2 LYS A 25 0.172 -2.893 -9.284 1.00 4.01 H new ATOM 0 HB3 LYS A 25 -0.519 -1.282 -9.268 1.00 4.01 H new ATOM 0 HG2 LYS A 25 2.163 -1.917 -10.562 1.00 55.44 H new ATOM 0 HG3 LYS A 25 0.645 -1.999 -11.434 1.00 55.44 H new ATOM 0 HD2 LYS A 25 1.825 0.480 -10.114 1.00 62.43 H new ATOM 0 HD3 LYS A 25 1.779 0.150 -11.834 1.00 62.43 H new ATOM 0 HE2 LYS A 25 -0.600 0.658 -10.012 1.00 24.20 H new ATOM 0 HE3 LYS A 25 0.022 1.730 -11.252 1.00 24.20 H new ATOM 0 HZ1 LYS A 25 -1.959 0.512 -11.938 1.00 24.44 H new ATOM 0 HZ2 LYS A 25 -0.628 0.176 -12.938 1.00 24.44 H new ATOM 0 HZ3 LYS A 25 -1.123 -0.957 -11.774 1.00 24.44 H new ATOM 376 N VAL A 26 0.250 0.127 -6.519 1.00 1.42 N ATOM 377 CA VAL A 26 -0.646 0.629 -5.486 1.00 13.25 C ATOM 378 C VAL A 26 -1.428 1.806 -6.063 1.00 53.04 C ATOM 379 O VAL A 26 -0.886 2.539 -6.889 1.00 42.04 O ATOM 380 CB VAL A 26 0.182 0.996 -4.233 1.00 35.45 C ATOM 381 CG1 VAL A 26 0.988 2.289 -4.385 1.00 60.45 C ATOM 382 CG2 VAL A 26 -0.673 1.132 -2.970 1.00 32.33 C ATOM 0 H VAL A 26 0.825 0.858 -6.937 1.00 1.42 H new ATOM 0 HA VAL A 26 -1.370 -0.123 -5.172 1.00 13.25 H new ATOM 0 HB VAL A 26 0.868 0.155 -4.130 1.00 35.45 H new ATOM 0 HG11 VAL A 26 1.543 2.482 -3.467 1.00 60.45 H new ATOM 0 HG12 VAL A 26 1.686 2.187 -5.216 1.00 60.45 H new ATOM 0 HG13 VAL A 26 0.310 3.120 -4.580 1.00 60.45 H new ATOM 0 HG21 VAL A 26 -0.035 1.391 -2.125 1.00 32.33 H new ATOM 0 HG22 VAL A 26 -1.416 1.916 -3.117 1.00 32.33 H new ATOM 0 HG23 VAL A 26 -1.177 0.187 -2.768 1.00 32.33 H new ATOM 392 N THR A 27 -2.657 2.016 -5.600 1.00 21.13 N ATOM 393 CA THR A 27 -3.527 3.126 -5.997 1.00 72.11 C ATOM 394 C THR A 27 -4.102 3.720 -4.711 1.00 52.33 C ATOM 395 O THR A 27 -4.218 2.998 -3.722 1.00 13.44 O ATOM 396 CB THR A 27 -4.659 2.621 -6.920 1.00 12.13 C ATOM 397 OG1 THR A 27 -4.228 1.545 -7.734 1.00 71.20 O ATOM 398 CG2 THR A 27 -5.269 3.711 -7.803 1.00 34.14 C ATOM 0 H THR A 27 -3.092 1.399 -4.915 1.00 21.13 H new ATOM 0 HA THR A 27 -2.970 3.879 -6.554 1.00 72.11 H new ATOM 0 HB THR A 27 -5.440 2.279 -6.241 1.00 12.13 H new ATOM 0 HG1 THR A 27 -4.260 0.712 -7.219 1.00 71.20 H new ATOM 0 HG21 THR A 27 -6.056 3.280 -8.422 1.00 34.14 H new ATOM 0 HG22 THR A 27 -5.691 4.495 -7.174 1.00 34.14 H new ATOM 0 HG23 THR A 27 -4.496 4.136 -8.443 1.00 34.14 H new ATOM 406 N TRP A 28 -4.477 4.996 -4.702 1.00 44.34 N ATOM 407 CA TRP A 28 -5.012 5.685 -3.518 1.00 52.32 C ATOM 408 C TRP A 28 -6.126 6.656 -3.919 1.00 52.04 C ATOM 409 O TRP A 28 -6.426 7.642 -3.241 1.00 12.24 O ATOM 410 CB TRP A 28 -3.856 6.396 -2.809 1.00 14.52 C ATOM 411 CG TRP A 28 -3.059 7.367 -3.631 1.00 15.12 C ATOM 412 CD1 TRP A 28 -3.274 8.700 -3.716 1.00 35.44 C ATOM 413 CD2 TRP A 28 -1.883 7.103 -4.450 1.00 3.41 C ATOM 414 NE1 TRP A 28 -2.290 9.282 -4.489 1.00 23.11 N ATOM 415 CE2 TRP A 28 -1.367 8.348 -4.912 1.00 35.22 C ATOM 416 CE3 TRP A 28 -1.167 5.936 -4.795 1.00 35.33 C ATOM 417 CZ2 TRP A 28 -0.165 8.438 -5.628 1.00 20.34 C ATOM 418 CZ3 TRP A 28 0.024 6.010 -5.538 1.00 41.20 C ATOM 419 CH2 TRP A 28 0.532 7.260 -5.937 1.00 2.51 C ATOM 0 H TRP A 28 -4.419 5.594 -5.526 1.00 44.34 H new ATOM 0 HA TRP A 28 -5.458 4.967 -2.830 1.00 52.32 H new ATOM 0 HB2 TRP A 28 -4.260 6.929 -1.949 1.00 14.52 H new ATOM 0 HB3 TRP A 28 -3.175 5.638 -2.423 1.00 14.52 H new ATOM 0 HD1 TRP A 28 -4.092 9.229 -3.249 1.00 35.44 H new ATOM 0 HE1 TRP A 28 -2.250 10.275 -4.718 1.00 23.11 H new ATOM 0 HE3 TRP A 28 -1.540 4.972 -4.483 1.00 35.33 H new ATOM 0 HZ2 TRP A 28 0.219 9.399 -5.937 1.00 20.34 H new ATOM 0 HZ3 TRP A 28 0.550 5.105 -5.803 1.00 41.20 H new ATOM 0 HH2 TRP A 28 1.462 7.313 -6.483 1.00 2.51 H new ATOM 429 N ASN A 29 -6.681 6.431 -5.105 1.00 23.44 N ATOM 430 CA ASN A 29 -7.560 7.349 -5.792 1.00 43.21 C ATOM 431 C ASN A 29 -8.170 6.653 -6.999 1.00 24.42 C ATOM 432 O ASN A 29 -8.024 5.434 -7.166 1.00 23.51 O ATOM 433 CB ASN A 29 -6.783 8.620 -6.193 1.00 43.30 C ATOM 434 CG ASN A 29 -7.549 9.836 -5.727 1.00 55.33 C ATOM 435 OD1 ASN A 29 -8.224 10.488 -6.513 1.00 62.50 O ATOM 436 ND2 ASN A 29 -7.556 10.108 -4.431 1.00 75.20 N ATOM 0 H ASN A 29 -6.520 5.570 -5.627 1.00 23.44 H new ATOM 0 HA ASN A 29 -8.372 7.656 -5.132 1.00 43.21 H new ATOM 0 HB2 ASN A 29 -5.788 8.609 -5.747 1.00 43.30 H new ATOM 0 HB3 ASN A 29 -6.648 8.652 -7.274 1.00 43.30 H new ATOM 0 HD21 ASN A 29 -8.130 10.871 -4.073 1.00 75.20 H new ATOM 0 HD22 ASN A 29 -6.987 9.554 -3.791 1.00 75.20 H new ATOM 442 N ASP A 30 -8.838 7.422 -7.848 1.00 64.41 N ATOM 443 CA ASP A 30 -9.390 6.945 -9.099 1.00 72.52 C ATOM 444 C ASP A 30 -8.441 7.364 -10.210 1.00 64.10 C ATOM 445 O ASP A 30 -8.465 8.499 -10.680 1.00 60.34 O ATOM 446 CB ASP A 30 -10.852 7.378 -9.255 1.00 24.15 C ATOM 447 CG ASP A 30 -11.738 6.281 -8.664 1.00 64.34 C ATOM 448 OD1 ASP A 30 -11.574 5.942 -7.470 1.00 73.53 O ATOM 449 OD2 ASP A 30 -12.469 5.607 -9.425 1.00 2.15 O ATOM 0 H ASP A 30 -9.012 8.413 -7.679 1.00 64.41 H new ATOM 0 HA ASP A 30 -9.453 5.858 -9.137 1.00 72.52 H new ATOM 0 HB2 ASP A 30 -11.025 8.324 -8.743 1.00 24.15 H new ATOM 0 HB3 ASP A 30 -11.092 7.536 -10.306 1.00 24.15 H new ATOM 453 N GLY A 31 -7.531 6.457 -10.574 1.00 13.14 N ATOM 454 CA GLY A 31 -6.611 6.641 -11.695 1.00 23.32 C ATOM 455 C GLY A 31 -5.337 7.399 -11.325 1.00 72.50 C ATOM 456 O GLY A 31 -4.747 8.060 -12.184 1.00 23.31 O ATOM 0 H GLY A 31 -7.412 5.566 -10.093 1.00 13.14 H new ATOM 0 HA2 GLY A 31 -6.339 5.664 -12.095 1.00 23.32 H new ATOM 0 HA3 GLY A 31 -7.125 7.179 -12.491 1.00 23.32 H new ATOM 460 N LYS A 32 -4.912 7.334 -10.058 1.00 42.24 N ATOM 461 CA LYS A 32 -3.609 7.750 -9.601 1.00 53.33 C ATOM 462 C LYS A 32 -3.054 6.567 -8.828 1.00 22.24 C ATOM 463 O LYS A 32 -3.478 6.280 -7.703 1.00 12.23 O ATOM 464 CB LYS A 32 -3.746 9.029 -8.778 1.00 71.21 C ATOM 465 CG LYS A 32 -2.461 9.387 -8.041 1.00 1.44 C ATOM 466 CD LYS A 32 -1.304 9.857 -8.938 1.00 20.35 C ATOM 467 CE LYS A 32 -0.106 8.904 -9.025 1.00 40.43 C ATOM 468 NZ LYS A 32 1.085 9.598 -9.556 1.00 42.43 N ATOM 0 H LYS A 32 -5.499 6.975 -9.305 1.00 42.24 H new ATOM 0 HA LYS A 32 -2.918 8.003 -10.405 1.00 53.33 H new ATOM 0 HB2 LYS A 32 -4.026 9.852 -9.435 1.00 71.21 H new ATOM 0 HB3 LYS A 32 -4.554 8.908 -8.056 1.00 71.21 H new ATOM 0 HG2 LYS A 32 -2.682 10.172 -7.318 1.00 1.44 H new ATOM 0 HG3 LYS A 32 -2.131 8.516 -7.475 1.00 1.44 H new ATOM 0 HD2 LYS A 32 -1.690 10.019 -9.944 1.00 20.35 H new ATOM 0 HD3 LYS A 32 -0.953 10.822 -8.572 1.00 20.35 H new ATOM 0 HE2 LYS A 32 0.114 8.500 -8.037 1.00 40.43 H new ATOM 0 HE3 LYS A 32 -0.355 8.059 -9.667 1.00 40.43 H new ATOM 0 HZ1 LYS A 32 1.886 8.936 -9.589 1.00 42.43 H new ATOM 0 HZ2 LYS A 32 0.885 9.947 -10.515 1.00 42.43 H new ATOM 0 HZ3 LYS A 32 1.324 10.400 -8.938 1.00 42.43 H new ATOM 478 N GLU A 33 -2.131 5.871 -9.468 1.00 23.43 N ATOM 479 CA GLU A 33 -1.398 4.730 -8.965 1.00 51.10 C ATOM 480 C GLU A 33 0.098 4.965 -9.170 1.00 4.33 C ATOM 481 O GLU A 33 0.481 5.794 -10.000 1.00 41.05 O ATOM 482 CB GLU A 33 -1.868 3.450 -9.689 1.00 35.53 C ATOM 483 CG GLU A 33 -1.848 3.514 -11.223 1.00 32.44 C ATOM 484 CD GLU A 33 -3.074 4.158 -11.875 1.00 41.01 C ATOM 485 OE1 GLU A 33 -3.014 5.383 -12.100 1.00 1.32 O ATOM 486 OE2 GLU A 33 -3.994 3.399 -12.279 1.00 55.43 O ATOM 0 H GLU A 33 -1.857 6.108 -10.421 1.00 23.43 H new ATOM 0 HA GLU A 33 -1.586 4.603 -7.899 1.00 51.10 H new ATOM 0 HB2 GLU A 33 -1.238 2.620 -9.369 1.00 35.53 H new ATOM 0 HB3 GLU A 33 -2.884 3.222 -9.365 1.00 35.53 H new ATOM 0 HG2 GLU A 33 -0.961 4.066 -11.534 1.00 32.44 H new ATOM 0 HG3 GLU A 33 -1.744 2.500 -11.610 1.00 32.44 H new ATOM 491 N GLN A 34 0.944 4.214 -8.458 1.00 13.00 N ATOM 492 CA GLN A 34 2.382 4.138 -8.703 1.00 74.45 C ATOM 493 C GLN A 34 2.897 2.746 -8.329 1.00 72.35 C ATOM 494 O GLN A 34 2.129 1.933 -7.805 1.00 41.45 O ATOM 495 CB GLN A 34 3.113 5.320 -8.030 1.00 23.30 C ATOM 496 CG GLN A 34 3.504 5.192 -6.548 1.00 53.21 C ATOM 497 CD GLN A 34 4.958 4.754 -6.385 1.00 22.31 C ATOM 498 OE1 GLN A 34 5.886 5.393 -6.872 1.00 61.22 O ATOM 499 NE2 GLN A 34 5.208 3.642 -5.723 1.00 41.54 N ATOM 0 H GLN A 34 0.638 3.631 -7.679 1.00 13.00 H new ATOM 0 HA GLN A 34 2.601 4.253 -9.765 1.00 74.45 H new ATOM 0 HB2 GLN A 34 4.023 5.514 -8.598 1.00 23.30 H new ATOM 0 HB3 GLN A 34 2.481 6.202 -8.131 1.00 23.30 H new ATOM 0 HG2 GLN A 34 3.354 6.149 -6.048 1.00 53.21 H new ATOM 0 HG3 GLN A 34 2.849 4.470 -6.060 1.00 53.21 H new ATOM 0 HE21 GLN A 34 4.441 3.107 -5.316 1.00 41.54 H new ATOM 0 HE22 GLN A 34 6.169 3.316 -5.617 1.00 41.54 H new ATOM 506 N THR A 35 4.169 2.453 -8.597 1.00 75.13 N ATOM 507 CA THR A 35 4.779 1.174 -8.257 1.00 52.21 C ATOM 508 C THR A 35 6.144 1.384 -7.617 1.00 52.45 C ATOM 509 O THR A 35 6.869 2.328 -7.938 1.00 33.10 O ATOM 510 CB THR A 35 4.792 0.228 -9.478 1.00 61.42 C ATOM 511 OG1 THR A 35 5.549 -0.958 -9.285 1.00 61.14 O ATOM 512 CG2 THR A 35 5.247 0.894 -10.775 1.00 33.10 C ATOM 0 H THR A 35 4.806 3.102 -9.059 1.00 75.13 H new ATOM 0 HA THR A 35 4.172 0.671 -7.504 1.00 52.21 H new ATOM 0 HB THR A 35 3.741 -0.045 -9.577 1.00 61.42 H new ATOM 0 HG1 THR A 35 6.460 -0.724 -9.009 1.00 61.14 H new ATOM 0 HG21 THR A 35 5.229 0.164 -11.585 1.00 33.10 H new ATOM 0 HG22 THR A 35 4.577 1.719 -11.015 1.00 33.10 H new ATOM 0 HG23 THR A 35 6.261 1.274 -10.652 1.00 33.10 H new ATOM 520 N VAL A 36 6.489 0.482 -6.702 1.00 54.14 N ATOM 521 CA VAL A 36 7.831 0.360 -6.149 1.00 71.24 C ATOM 522 C VAL A 36 8.692 -0.339 -7.215 1.00 4.24 C ATOM 523 O VAL A 36 8.141 -0.970 -8.126 1.00 60.02 O ATOM 524 CB VAL A 36 7.712 -0.406 -4.809 1.00 61.02 C ATOM 525 CG1 VAL A 36 9.060 -0.698 -4.146 1.00 2.13 C ATOM 526 CG2 VAL A 36 6.842 0.376 -3.805 1.00 75.01 C ATOM 0 H VAL A 36 5.830 -0.196 -6.318 1.00 54.14 H new ATOM 0 HA VAL A 36 8.313 1.311 -5.922 1.00 71.24 H new ATOM 0 HB VAL A 36 7.250 -1.359 -5.066 1.00 61.02 H new ATOM 0 HG11 VAL A 36 8.897 -1.237 -3.212 1.00 2.13 H new ATOM 0 HG12 VAL A 36 9.670 -1.306 -4.814 1.00 2.13 H new ATOM 0 HG13 VAL A 36 9.574 0.240 -3.939 1.00 2.13 H new ATOM 0 HG21 VAL A 36 6.773 -0.182 -2.871 1.00 75.01 H new ATOM 0 HG22 VAL A 36 7.293 1.349 -3.613 1.00 75.01 H new ATOM 0 HG23 VAL A 36 5.843 0.514 -4.219 1.00 75.01 H new ATOM 536 N ASN A 37 10.019 -0.276 -7.078 1.00 61.45 N ATOM 537 CA ASN A 37 10.975 -1.132 -7.777 1.00 31.44 C ATOM 538 C ASN A 37 10.865 -2.567 -7.238 1.00 13.41 C ATOM 539 O ASN A 37 10.073 -3.361 -7.745 1.00 21.03 O ATOM 540 CB ASN A 37 12.378 -0.537 -7.593 1.00 0.24 C ATOM 541 CG ASN A 37 13.454 -1.423 -8.193 1.00 11.53 C ATOM 542 OD1 ASN A 37 13.464 -1.651 -9.399 1.00 52.42 O ATOM 543 ND2 ASN A 37 14.352 -1.935 -7.373 1.00 1.50 N ATOM 0 H ASN A 37 10.470 0.395 -6.456 1.00 61.45 H new ATOM 0 HA ASN A 37 10.763 -1.177 -8.845 1.00 31.44 H new ATOM 0 HB2 ASN A 37 12.418 0.448 -8.058 1.00 0.24 H new ATOM 0 HB3 ASN A 37 12.575 -0.396 -6.530 1.00 0.24 H new ATOM 0 HD21 ASN A 37 15.086 -2.543 -7.736 1.00 1.50 H new ATOM 0 HD22 ASN A 37 14.312 -1.723 -6.376 1.00 1.50 H new ATOM 549 N THR A 38 11.553 -2.886 -6.144 1.00 13.40 N ATOM 550 CA THR A 38 11.442 -4.136 -5.412 1.00 20.33 C ATOM 551 C THR A 38 11.337 -3.793 -3.918 1.00 2.20 C ATOM 552 O THR A 38 11.673 -2.678 -3.509 1.00 4.52 O ATOM 553 CB THR A 38 12.641 -5.035 -5.797 1.00 62.01 C ATOM 554 OG1 THR A 38 12.497 -5.547 -7.111 1.00 63.43 O ATOM 555 CG2 THR A 38 12.770 -6.293 -4.955 1.00 55.44 C ATOM 0 H THR A 38 12.232 -2.248 -5.729 1.00 13.40 H new ATOM 0 HA THR A 38 10.549 -4.709 -5.662 1.00 20.33 H new ATOM 0 HB THR A 38 13.499 -4.376 -5.663 1.00 62.01 H new ATOM 0 HG1 THR A 38 13.269 -6.110 -7.329 1.00 63.43 H new ATOM 0 HG21 THR A 38 13.634 -6.867 -5.289 1.00 55.44 H new ATOM 0 HG22 THR A 38 12.899 -6.018 -3.908 1.00 55.44 H new ATOM 0 HG23 THR A 38 11.869 -6.897 -5.063 1.00 55.44 H new ATOM 563 N LEU A 39 10.828 -4.733 -3.120 1.00 2.50 N ATOM 564 CA LEU A 39 10.713 -4.646 -1.677 1.00 51.45 C ATOM 565 C LEU A 39 11.199 -5.966 -1.066 1.00 60.23 C ATOM 566 O LEU A 39 10.607 -7.017 -1.332 1.00 63.25 O ATOM 567 CB LEU A 39 9.255 -4.333 -1.270 1.00 1.33 C ATOM 568 CG LEU A 39 9.109 -3.387 -0.091 1.00 1.30 C ATOM 569 CD1 LEU A 39 9.973 -3.818 1.047 1.00 73.25 C ATOM 570 CD2 LEU A 39 9.552 -1.951 -0.347 1.00 64.41 C ATOM 0 H LEU A 39 10.470 -5.615 -3.487 1.00 2.50 H new ATOM 0 HA LEU A 39 11.333 -3.833 -1.299 1.00 51.45 H new ATOM 0 HB2 LEU A 39 8.738 -3.903 -2.128 1.00 1.33 H new ATOM 0 HB3 LEU A 39 8.751 -5.269 -1.030 1.00 1.33 H new ATOM 0 HG LEU A 39 8.038 -3.421 0.111 1.00 1.30 H new ATOM 0 HD11 LEU A 39 9.851 -3.125 1.879 1.00 73.25 H new ATOM 0 HD12 LEU A 39 9.684 -4.820 1.364 1.00 73.25 H new ATOM 0 HD13 LEU A 39 11.016 -3.824 0.730 1.00 73.25 H new ATOM 0 HD21 LEU A 39 9.407 -1.359 0.557 1.00 64.41 H new ATOM 0 HD22 LEU A 39 10.606 -1.939 -0.623 1.00 64.41 H new ATOM 0 HD23 LEU A 39 8.960 -1.527 -1.158 1.00 64.41 H new ATOM 581 N GLY A 40 12.259 -5.892 -0.255 1.00 15.20 N ATOM 582 CA GLY A 40 12.833 -7.002 0.517 1.00 14.43 C ATOM 583 C GLY A 40 11.861 -7.605 1.541 1.00 71.02 C ATOM 584 O GLY A 40 10.809 -7.031 1.797 1.00 64.05 O ATOM 0 H GLY A 40 12.764 -5.018 -0.111 1.00 15.20 H new ATOM 0 HA2 GLY A 40 13.154 -7.784 -0.171 1.00 14.43 H new ATOM 0 HA3 GLY A 40 13.723 -6.649 1.037 1.00 14.43 H new ATOM 588 N SER A 41 12.167 -8.740 2.177 1.00 4.41 N ATOM 589 CA SER A 41 11.327 -9.234 3.270 1.00 65.43 C ATOM 590 C SER A 41 11.527 -8.364 4.515 1.00 30.40 C ATOM 591 O SER A 41 12.656 -8.043 4.886 1.00 43.15 O ATOM 592 CB SER A 41 11.580 -10.717 3.555 1.00 51.32 C ATOM 593 OG SER A 41 12.947 -11.080 3.512 1.00 64.41 O ATOM 0 H SER A 41 12.974 -9.324 1.959 1.00 4.41 H new ATOM 0 HA SER A 41 10.283 -9.158 2.967 1.00 65.43 H new ATOM 0 HB2 SER A 41 11.179 -10.962 4.538 1.00 51.32 H new ATOM 0 HB3 SER A 41 11.031 -11.316 2.828 1.00 51.32 H new ATOM 0 HG SER A 41 13.038 -12.037 3.704 1.00 64.41 H new ATOM 598 N HIS A 42 10.423 -7.982 5.157 1.00 22.21 N ATOM 599 CA HIS A 42 10.331 -7.013 6.249 1.00 23.13 C ATOM 600 C HIS A 42 10.778 -5.592 5.895 1.00 24.13 C ATOM 601 O HIS A 42 10.751 -4.713 6.763 1.00 50.42 O ATOM 602 CB HIS A 42 10.990 -7.557 7.528 1.00 62.24 C ATOM 603 CG HIS A 42 9.949 -7.911 8.546 1.00 62.23 C ATOM 604 ND1 HIS A 42 9.466 -7.078 9.531 1.00 52.22 N ATOM 605 CD2 HIS A 42 9.192 -9.050 8.541 1.00 72.05 C ATOM 606 CE1 HIS A 42 8.442 -7.706 10.123 1.00 41.21 C ATOM 607 NE2 HIS A 42 8.263 -8.923 9.578 1.00 45.31 N ATOM 0 H HIS A 42 9.510 -8.366 4.912 1.00 22.21 H new ATOM 0 HA HIS A 42 9.266 -6.893 6.448 1.00 23.13 H new ATOM 0 HB2 HIS A 42 11.588 -8.437 7.290 1.00 62.24 H new ATOM 0 HB3 HIS A 42 11.670 -6.811 7.939 1.00 62.24 H new ATOM 0 HD2 HIS A 42 9.293 -9.887 7.866 1.00 72.05 H new ATOM 0 HE1 HIS A 42 7.845 -7.294 10.923 1.00 41.21 H new ATOM 0 HE2 HIS A 42 7.578 -9.622 9.867 1.00 45.31 H new ATOM 614 N ASP A 43 11.154 -5.339 4.643 1.00 24.02 N ATOM 615 CA ASP A 43 11.593 -4.028 4.192 1.00 30.32 C ATOM 616 C ASP A 43 10.417 -3.058 4.127 1.00 62.44 C ATOM 617 O ASP A 43 9.252 -3.431 4.319 1.00 63.15 O ATOM 618 CB ASP A 43 12.447 -4.137 2.919 1.00 71.41 C ATOM 619 CG ASP A 43 13.887 -4.581 3.129 1.00 10.23 C ATOM 620 OD1 ASP A 43 14.133 -5.567 3.865 1.00 61.34 O ATOM 621 OD2 ASP A 43 14.785 -4.037 2.458 1.00 64.22 O ATOM 0 H ASP A 43 11.161 -6.048 3.909 1.00 24.02 H new ATOM 0 HA ASP A 43 12.269 -3.588 4.925 1.00 30.32 H new ATOM 0 HB2 ASP A 43 11.965 -4.839 2.239 1.00 71.41 H new ATOM 0 HB3 ASP A 43 12.454 -3.166 2.423 1.00 71.41 H new ATOM 625 N SER A 44 10.710 -1.797 3.822 1.00 71.14 N ATOM 626 CA SER A 44 9.701 -0.762 3.687 1.00 71.42 C ATOM 627 C SER A 44 10.169 0.384 2.801 1.00 53.33 C ATOM 628 O SER A 44 11.366 0.669 2.706 1.00 2.23 O ATOM 629 CB SER A 44 9.318 -0.248 5.076 1.00 3.34 C ATOM 630 OG SER A 44 10.442 0.022 5.896 1.00 1.12 O ATOM 0 H SER A 44 11.662 -1.467 3.661 1.00 71.14 H new ATOM 0 HA SER A 44 8.828 -1.198 3.201 1.00 71.42 H new ATOM 0 HB2 SER A 44 8.726 0.661 4.970 1.00 3.34 H new ATOM 0 HB3 SER A 44 8.685 -0.986 5.569 1.00 3.34 H new ATOM 0 HG SER A 44 10.139 0.348 6.769 1.00 1.12 H new ATOM 635 N ILE A 45 9.222 1.083 2.180 1.00 24.14 N ATOM 636 CA ILE A 45 9.487 2.278 1.403 1.00 12.10 C ATOM 637 C ILE A 45 8.291 3.198 1.507 1.00 51.55 C ATOM 638 O ILE A 45 7.137 2.764 1.477 1.00 14.53 O ATOM 639 CB ILE A 45 9.829 1.908 -0.051 1.00 4.43 C ATOM 640 CG1 ILE A 45 10.384 3.124 -0.811 1.00 40.35 C ATOM 641 CG2 ILE A 45 8.638 1.267 -0.788 1.00 22.43 C ATOM 642 CD1 ILE A 45 10.756 2.804 -2.257 1.00 62.34 C ATOM 0 H ILE A 45 8.235 0.826 2.207 1.00 24.14 H new ATOM 0 HA ILE A 45 10.356 2.806 1.796 1.00 12.10 H new ATOM 0 HB ILE A 45 10.611 1.150 -0.017 1.00 4.43 H new ATOM 0 HG12 ILE A 45 9.642 3.922 -0.801 1.00 40.35 H new ATOM 0 HG13 ILE A 45 11.264 3.501 -0.290 1.00 40.35 H new ATOM 0 HG21 ILE A 45 8.930 1.024 -1.810 1.00 22.43 H new ATOM 0 HG22 ILE A 45 8.337 0.356 -0.270 1.00 22.43 H new ATOM 0 HG23 ILE A 45 7.802 1.966 -0.806 1.00 22.43 H new ATOM 0 HD11 ILE A 45 11.141 3.702 -2.741 1.00 62.34 H new ATOM 0 HD12 ILE A 45 11.520 2.027 -2.273 1.00 62.34 H new ATOM 0 HD13 ILE A 45 9.872 2.455 -2.791 1.00 62.34 H new ATOM 653 N ASP A 46 8.589 4.479 1.583 1.00 42.12 N ATOM 654 CA ASP A 46 7.657 5.574 1.586 1.00 42.42 C ATOM 655 C ASP A 46 7.775 6.311 0.266 1.00 40.41 C ATOM 656 O ASP A 46 8.821 6.314 -0.392 1.00 4.23 O ATOM 657 CB ASP A 46 7.874 6.506 2.788 1.00 31.33 C ATOM 658 CG ASP A 46 9.306 6.967 3.070 1.00 44.43 C ATOM 659 OD1 ASP A 46 10.240 6.664 2.295 1.00 14.43 O ATOM 660 OD2 ASP A 46 9.505 7.630 4.114 1.00 1.23 O ATOM 0 H ASP A 46 9.556 4.798 1.649 1.00 42.12 H new ATOM 0 HA ASP A 46 6.643 5.187 1.691 1.00 42.42 H new ATOM 0 HB2 ASP A 46 7.257 7.393 2.643 1.00 31.33 H new ATOM 0 HB3 ASP A 46 7.501 6.000 3.679 1.00 31.33 H new ATOM 664 N PHE A 47 6.656 6.886 -0.151 1.00 62.15 N ATOM 665 CA PHE A 47 6.592 7.778 -1.294 1.00 13.33 C ATOM 666 C PHE A 47 5.529 8.840 -1.039 1.00 63.33 C ATOM 667 O PHE A 47 4.625 8.662 -0.211 1.00 34.11 O ATOM 668 CB PHE A 47 6.395 7.007 -2.614 1.00 34.13 C ATOM 669 CG PHE A 47 5.514 5.776 -2.563 1.00 1.11 C ATOM 670 CD1 PHE A 47 6.062 4.543 -2.154 1.00 4.52 C ATOM 671 CD2 PHE A 47 4.164 5.856 -2.946 1.00 73.05 C ATOM 672 CE1 PHE A 47 5.250 3.402 -2.081 1.00 41.13 C ATOM 673 CE2 PHE A 47 3.360 4.705 -2.900 1.00 21.40 C ATOM 674 CZ PHE A 47 3.898 3.491 -2.442 1.00 40.41 C ATOM 0 H PHE A 47 5.755 6.742 0.304 1.00 62.15 H new ATOM 0 HA PHE A 47 7.547 8.289 -1.414 1.00 13.33 H new ATOM 0 HB2 PHE A 47 5.976 7.694 -3.349 1.00 34.13 H new ATOM 0 HB3 PHE A 47 7.376 6.707 -2.981 1.00 34.13 H new ATOM 0 HD1 PHE A 47 7.109 4.477 -1.897 1.00 4.52 H new ATOM 0 HD2 PHE A 47 3.747 6.797 -3.274 1.00 73.05 H new ATOM 0 HE1 PHE A 47 5.663 2.461 -1.749 1.00 41.13 H new ATOM 0 HE2 PHE A 47 2.329 4.753 -3.217 1.00 21.40 H new ATOM 0 HZ PHE A 47 3.265 2.619 -2.367 1.00 40.41 H new ATOM 683 N SER A 48 5.643 9.947 -1.771 1.00 24.34 N ATOM 684 CA SER A 48 4.636 10.983 -1.818 1.00 21.13 C ATOM 685 C SER A 48 3.389 10.443 -2.529 1.00 32.21 C ATOM 686 O SER A 48 3.427 9.408 -3.200 1.00 41.43 O ATOM 687 CB SER A 48 5.219 12.130 -2.638 1.00 63.40 C ATOM 688 OG SER A 48 6.032 13.018 -1.899 1.00 35.34 O ATOM 0 H SER A 48 6.456 10.144 -2.355 1.00 24.34 H new ATOM 0 HA SER A 48 4.361 11.311 -0.816 1.00 21.13 H new ATOM 0 HB2 SER A 48 5.806 11.714 -3.457 1.00 63.40 H new ATOM 0 HB3 SER A 48 4.401 12.693 -3.087 1.00 63.40 H new ATOM 0 HG SER A 48 6.369 13.723 -2.491 1.00 35.34 H new ATOM 693 N SER A 49 2.301 11.204 -2.459 1.00 14.23 N ATOM 694 CA SER A 49 1.112 10.994 -3.255 1.00 32.12 C ATOM 695 C SER A 49 0.641 12.360 -3.755 1.00 31.44 C ATOM 696 O SER A 49 0.785 13.371 -3.059 1.00 3.51 O ATOM 697 CB SER A 49 0.065 10.233 -2.423 1.00 2.11 C ATOM 698 OG SER A 49 0.199 10.423 -1.025 1.00 74.00 O ATOM 0 H SER A 49 2.227 12.002 -1.829 1.00 14.23 H new ATOM 0 HA SER A 49 1.302 10.372 -4.129 1.00 32.12 H new ATOM 0 HB2 SER A 49 -0.931 10.552 -2.730 1.00 2.11 H new ATOM 0 HB3 SER A 49 0.142 9.169 -2.645 1.00 2.11 H new ATOM 0 HG SER A 49 -0.660 10.708 -0.650 1.00 74.00 H new ATOM 703 N ASP A 50 0.080 12.400 -4.961 1.00 35.31 N ATOM 704 CA ASP A 50 -0.232 13.628 -5.703 1.00 21.44 C ATOM 705 C ASP A 50 -1.677 14.066 -5.446 1.00 4.15 C ATOM 706 O ASP A 50 -2.360 14.541 -6.354 1.00 21.32 O ATOM 707 CB ASP A 50 0.014 13.415 -7.205 1.00 73.41 C ATOM 708 CG ASP A 50 1.398 12.836 -7.462 1.00 42.10 C ATOM 709 OD1 ASP A 50 2.390 13.570 -7.236 1.00 34.12 O ATOM 710 OD2 ASP A 50 1.471 11.615 -7.718 1.00 24.03 O ATOM 0 H ASP A 50 -0.180 11.554 -5.468 1.00 35.31 H new ATOM 0 HA ASP A 50 0.426 14.423 -5.352 1.00 21.44 H new ATOM 0 HB2 ASP A 50 -0.744 12.744 -7.608 1.00 73.41 H new ATOM 0 HB3 ASP A 50 -0.089 14.364 -7.731 1.00 73.41 H new ATOM 714 N ALA A 51 -2.177 13.830 -4.230 1.00 41.53 N ATOM 715 CA ALA A 51 -3.558 14.059 -3.838 1.00 13.52 C ATOM 716 C ALA A 51 -3.578 14.641 -2.424 1.00 3.31 C ATOM 717 O ALA A 51 -2.642 14.434 -1.646 1.00 11.43 O ATOM 718 CB ALA A 51 -4.319 12.730 -3.914 1.00 73.14 C ATOM 0 H ALA A 51 -1.606 13.461 -3.469 1.00 41.53 H new ATOM 0 HA ALA A 51 -4.044 14.770 -4.506 1.00 13.52 H new ATOM 0 HB1 ALA A 51 -5.357 12.888 -3.622 1.00 73.14 H new ATOM 0 HB2 ALA A 51 -4.283 12.348 -4.934 1.00 73.14 H new ATOM 0 HB3 ALA A 51 -3.858 12.008 -3.240 1.00 73.14 H new ATOM 724 N GLY A 52 -4.648 15.359 -2.089 1.00 55.40 N ATOM 725 CA GLY A 52 -4.780 16.100 -0.839 1.00 62.32 C ATOM 726 C GLY A 52 -5.407 15.291 0.294 1.00 72.23 C ATOM 727 O GLY A 52 -5.360 15.704 1.453 1.00 1.31 O ATOM 0 H GLY A 52 -5.465 15.443 -2.694 1.00 55.40 H new ATOM 0 HA2 GLY A 52 -3.794 16.443 -0.525 1.00 62.32 H new ATOM 0 HA3 GLY A 52 -5.386 16.989 -1.017 1.00 62.32 H new ATOM 731 N SER A 53 -6.018 14.150 -0.015 1.00 53.40 N ATOM 732 CA SER A 53 -6.576 13.213 0.945 1.00 15.22 C ATOM 733 C SER A 53 -6.811 11.884 0.228 1.00 2.34 C ATOM 734 O SER A 53 -6.760 11.817 -1.006 1.00 40.23 O ATOM 735 CB SER A 53 -7.859 13.782 1.567 1.00 44.50 C ATOM 736 OG SER A 53 -8.740 14.314 0.597 1.00 40.52 O ATOM 0 H SER A 53 -6.141 13.845 -0.980 1.00 53.40 H new ATOM 0 HA SER A 53 -5.885 13.047 1.772 1.00 15.22 H new ATOM 0 HB2 SER A 53 -8.369 12.996 2.124 1.00 44.50 H new ATOM 0 HB3 SER A 53 -7.598 14.562 2.283 1.00 44.50 H new ATOM 0 HG SER A 53 -9.542 14.662 1.040 1.00 40.52 H new ATOM 741 N VAL A 54 -7.069 10.818 0.983 1.00 52.11 N ATOM 742 CA VAL A 54 -7.310 9.477 0.466 1.00 13.13 C ATOM 743 C VAL A 54 -8.468 8.885 1.265 1.00 0.31 C ATOM 744 O VAL A 54 -8.547 9.065 2.481 1.00 35.45 O ATOM 745 CB VAL A 54 -6.017 8.638 0.559 1.00 2.24 C ATOM 746 CG1 VAL A 54 -6.244 7.170 0.172 1.00 40.13 C ATOM 747 CG2 VAL A 54 -4.950 9.211 -0.382 1.00 52.54 C ATOM 0 H VAL A 54 -7.117 10.867 2.001 1.00 52.11 H new ATOM 0 HA VAL A 54 -7.584 9.489 -0.589 1.00 13.13 H new ATOM 0 HB VAL A 54 -5.692 8.682 1.598 1.00 2.24 H new ATOM 0 HG11 VAL A 54 -5.305 6.623 0.254 1.00 40.13 H new ATOM 0 HG12 VAL A 54 -6.982 6.727 0.841 1.00 40.13 H new ATOM 0 HG13 VAL A 54 -6.607 7.116 -0.854 1.00 40.13 H new ATOM 0 HG21 VAL A 54 -4.042 8.613 -0.309 1.00 52.54 H new ATOM 0 HG22 VAL A 54 -5.319 9.188 -1.407 1.00 52.54 H new ATOM 0 HG23 VAL A 54 -4.730 10.240 -0.099 1.00 52.54 H new ATOM 757 N TYR A 55 -9.364 8.174 0.581 1.00 71.22 N ATOM 758 CA TYR A 55 -10.465 7.433 1.198 1.00 3.21 C ATOM 759 C TYR A 55 -10.634 6.022 0.620 1.00 3.34 C ATOM 760 O TYR A 55 -11.480 5.264 1.095 1.00 4.54 O ATOM 761 CB TYR A 55 -11.757 8.248 1.152 1.00 13.13 C ATOM 762 CG TYR A 55 -12.000 9.040 -0.118 1.00 34.03 C ATOM 763 CD1 TYR A 55 -12.267 8.376 -1.328 1.00 13.11 C ATOM 764 CD2 TYR A 55 -11.925 10.444 -0.091 1.00 51.13 C ATOM 765 CE1 TYR A 55 -12.534 9.115 -2.496 1.00 35.53 C ATOM 766 CE2 TYR A 55 -12.206 11.195 -1.244 1.00 61.31 C ATOM 767 CZ TYR A 55 -12.520 10.533 -2.453 1.00 0.14 C ATOM 768 OH TYR A 55 -12.755 11.249 -3.583 1.00 60.43 O ATOM 0 H TYR A 55 -9.345 8.095 -0.436 1.00 71.22 H new ATOM 0 HA TYR A 55 -10.208 7.281 2.246 1.00 3.21 H new ATOM 0 HB2 TYR A 55 -12.597 7.569 1.299 1.00 13.13 H new ATOM 0 HB3 TYR A 55 -11.756 8.941 1.994 1.00 13.13 H new ATOM 0 HD1 TYR A 55 -12.267 7.297 -1.362 1.00 13.11 H new ATOM 0 HD2 TYR A 55 -11.649 10.949 0.823 1.00 51.13 H new ATOM 0 HE1 TYR A 55 -12.749 8.604 -3.423 1.00 35.53 H new ATOM 0 HE2 TYR A 55 -12.182 12.274 -1.207 1.00 61.31 H new ATOM 0 HH TYR A 55 -12.710 12.206 -3.379 1.00 60.43 H new ATOM 777 N LYS A 56 -9.814 5.619 -0.355 1.00 3.15 N ATOM 778 CA LYS A 56 -9.797 4.265 -0.893 1.00 20.32 C ATOM 779 C LYS A 56 -8.374 3.919 -1.307 1.00 43.32 C ATOM 780 O LYS A 56 -7.573 4.833 -1.506 1.00 64.00 O ATOM 781 CB LYS A 56 -10.778 4.144 -2.075 1.00 12.32 C ATOM 782 CG LYS A 56 -10.466 5.105 -3.241 1.00 54.03 C ATOM 783 CD LYS A 56 -11.593 5.107 -4.282 1.00 4.21 C ATOM 784 CE LYS A 56 -11.664 3.824 -5.130 1.00 73.42 C ATOM 785 NZ LYS A 56 -10.570 3.724 -6.117 1.00 35.53 N ATOM 0 H LYS A 56 -9.134 6.238 -0.797 1.00 3.15 H new ATOM 0 HA LYS A 56 -10.123 3.556 -0.132 1.00 20.32 H new ATOM 0 HB2 LYS A 56 -10.761 3.119 -2.446 1.00 12.32 H new ATOM 0 HB3 LYS A 56 -11.789 4.337 -1.717 1.00 12.32 H new ATOM 0 HG2 LYS A 56 -10.324 6.114 -2.855 1.00 54.03 H new ATOM 0 HG3 LYS A 56 -9.530 4.811 -3.716 1.00 54.03 H new ATOM 0 HD2 LYS A 56 -12.546 5.246 -3.771 1.00 4.21 H new ATOM 0 HD3 LYS A 56 -11.460 5.962 -4.945 1.00 4.21 H new ATOM 0 HE2 LYS A 56 -11.631 2.957 -4.470 1.00 73.42 H new ATOM 0 HE3 LYS A 56 -12.621 3.792 -5.652 1.00 73.42 H new ATOM 0 HZ1 LYS A 56 -10.777 2.957 -6.788 1.00 35.53 H new ATOM 0 HZ2 LYS A 56 -10.485 4.623 -6.633 1.00 35.53 H new ATOM 0 HZ3 LYS A 56 -9.676 3.521 -5.625 1.00 35.53 H new ATOM 795 N MET A 57 -8.057 2.639 -1.450 1.00 53.12 N ATOM 796 CA MET A 57 -6.774 2.173 -1.949 1.00 54.20 C ATOM 797 C MET A 57 -7.040 0.924 -2.772 1.00 0.13 C ATOM 798 O MET A 57 -7.919 0.134 -2.434 1.00 63.21 O ATOM 799 CB MET A 57 -5.785 1.955 -0.786 1.00 40.34 C ATOM 800 CG MET A 57 -4.557 1.098 -1.149 1.00 0.54 C ATOM 801 SD MET A 57 -3.114 1.272 -0.067 1.00 41.20 S ATOM 802 CE MET A 57 -2.589 2.968 -0.468 1.00 4.11 C ATOM 0 H MET A 57 -8.699 1.882 -1.217 1.00 53.12 H new ATOM 0 HA MET A 57 -6.294 2.913 -2.589 1.00 54.20 H new ATOM 0 HB2 MET A 57 -5.443 2.926 -0.429 1.00 40.34 H new ATOM 0 HB3 MET A 57 -6.313 1.480 0.040 1.00 40.34 H new ATOM 0 HG2 MET A 57 -4.859 0.051 -1.152 1.00 0.54 H new ATOM 0 HG3 MET A 57 -4.255 1.346 -2.166 1.00 0.54 H new ATOM 0 HE1 MET A 57 -1.559 3.116 -0.144 1.00 4.11 H new ATOM 0 HE2 MET A 57 -2.657 3.125 -1.544 1.00 4.11 H new ATOM 0 HE3 MET A 57 -3.236 3.680 0.044 1.00 4.11 H new ATOM 810 N ASP A 58 -6.267 0.742 -3.841 1.00 23.21 N ATOM 811 CA ASP A 58 -6.426 -0.363 -4.774 1.00 21.51 C ATOM 812 C ASP A 58 -5.017 -0.875 -5.050 1.00 23.41 C ATOM 813 O ASP A 58 -4.270 -0.256 -5.806 1.00 2.43 O ATOM 814 CB ASP A 58 -7.156 -0.004 -6.103 1.00 3.22 C ATOM 815 CG ASP A 58 -8.231 1.099 -6.180 1.00 2.12 C ATOM 816 OD1 ASP A 58 -8.562 1.830 -5.221 1.00 60.21 O ATOM 817 OD2 ASP A 58 -8.784 1.238 -7.293 1.00 75.44 O ATOM 0 H ASP A 58 -5.501 1.370 -4.084 1.00 23.21 H new ATOM 0 HA ASP A 58 -7.075 -1.114 -4.323 1.00 21.51 H new ATOM 0 HB2 ASP A 58 -6.382 0.262 -6.823 1.00 3.22 H new ATOM 0 HB3 ASP A 58 -7.623 -0.921 -6.461 1.00 3.22 H new ATOM 821 N VAL A 59 -4.583 -1.940 -4.384 1.00 63.53 N ATOM 822 CA VAL A 59 -3.241 -2.500 -4.566 1.00 4.21 C ATOM 823 C VAL A 59 -3.321 -3.849 -5.265 1.00 34.11 C ATOM 824 O VAL A 59 -4.359 -4.504 -5.221 1.00 63.54 O ATOM 825 CB VAL A 59 -2.480 -2.472 -3.231 1.00 60.21 C ATOM 826 CG1 VAL A 59 -3.095 -3.226 -2.073 1.00 1.41 C ATOM 827 CG2 VAL A 59 -0.987 -2.782 -3.309 1.00 1.33 C ATOM 0 H VAL A 59 -5.150 -2.443 -3.701 1.00 63.53 H new ATOM 0 HA VAL A 59 -2.643 -1.886 -5.240 1.00 4.21 H new ATOM 0 HB VAL A 59 -2.592 -1.412 -3.004 1.00 60.21 H new ATOM 0 HG11 VAL A 59 -2.458 -3.125 -1.194 1.00 1.41 H new ATOM 0 HG12 VAL A 59 -4.082 -2.817 -1.856 1.00 1.41 H new ATOM 0 HG13 VAL A 59 -3.189 -4.280 -2.334 1.00 1.41 H new ATOM 0 HG21 VAL A 59 -0.553 -2.734 -2.310 1.00 1.33 H new ATOM 0 HG22 VAL A 59 -0.844 -3.782 -3.719 1.00 1.33 H new ATOM 0 HG23 VAL A 59 -0.497 -2.052 -3.953 1.00 1.33 H new ATOM 837 N THR A 60 -2.245 -4.202 -5.963 1.00 40.33 N ATOM 838 CA THR A 60 -2.117 -5.367 -6.820 1.00 33.52 C ATOM 839 C THR A 60 -0.607 -5.573 -6.980 1.00 22.44 C ATOM 840 O THR A 60 0.065 -4.886 -7.759 1.00 63.13 O ATOM 841 CB THR A 60 -2.936 -5.200 -8.131 1.00 15.30 C ATOM 842 OG1 THR A 60 -2.369 -5.871 -9.243 1.00 4.22 O ATOM 843 CG2 THR A 60 -3.170 -3.747 -8.548 1.00 53.05 C ATOM 0 H THR A 60 -1.390 -3.646 -5.941 1.00 40.33 H new ATOM 0 HA THR A 60 -2.551 -6.275 -6.401 1.00 33.52 H new ATOM 0 HB THR A 60 -3.891 -5.655 -7.867 1.00 15.30 H new ATOM 0 HG1 THR A 60 -2.931 -5.728 -10.033 1.00 4.22 H new ATOM 0 HG21 THR A 60 -3.749 -3.722 -9.471 1.00 53.05 H new ATOM 0 HG22 THR A 60 -3.718 -3.227 -7.762 1.00 53.05 H new ATOM 0 HG23 THR A 60 -2.210 -3.255 -8.708 1.00 53.05 H new ATOM 851 N GLY A 61 -0.039 -6.466 -6.175 1.00 15.31 N ATOM 852 CA GLY A 61 1.382 -6.809 -6.212 1.00 75.52 C ATOM 853 C GLY A 61 1.590 -8.311 -6.339 1.00 12.00 C ATOM 854 O GLY A 61 0.647 -9.072 -6.143 1.00 23.53 O ATOM 0 H GLY A 61 -0.561 -6.981 -5.466 1.00 15.31 H new ATOM 0 HA2 GLY A 61 1.858 -6.302 -7.052 1.00 75.52 H new ATOM 0 HA3 GLY A 61 1.868 -6.449 -5.305 1.00 75.52 H new ATOM 858 N THR A 62 2.819 -8.741 -6.653 1.00 40.11 N ATOM 859 CA THR A 62 3.127 -10.159 -6.868 1.00 53.32 C ATOM 860 C THR A 62 4.479 -10.506 -6.231 1.00 33.40 C ATOM 861 O THR A 62 5.444 -9.739 -6.359 1.00 41.23 O ATOM 862 CB THR A 62 3.100 -10.527 -8.370 1.00 13.30 C ATOM 863 OG1 THR A 62 2.127 -9.782 -9.085 1.00 40.35 O ATOM 864 CG2 THR A 62 2.845 -12.015 -8.617 1.00 75.22 C ATOM 0 H THR A 62 3.621 -8.121 -6.764 1.00 40.11 H new ATOM 0 HA THR A 62 2.353 -10.754 -6.383 1.00 53.32 H new ATOM 0 HB THR A 62 4.096 -10.277 -8.735 1.00 13.30 H new ATOM 0 HG1 THR A 62 2.144 -10.043 -10.029 1.00 40.35 H new ATOM 0 HG21 THR A 62 2.838 -12.210 -9.689 1.00 75.22 H new ATOM 0 HG22 THR A 62 3.634 -12.602 -8.147 1.00 75.22 H new ATOM 0 HG23 THR A 62 1.882 -12.295 -8.191 1.00 75.22 H new ATOM 872 N THR A 63 4.526 -11.625 -5.515 1.00 0.12 N ATOM 873 CA THR A 63 5.675 -12.133 -4.770 1.00 34.01 C ATOM 874 C THR A 63 6.714 -12.795 -5.676 1.00 60.32 C ATOM 875 O THR A 63 6.463 -13.045 -6.855 1.00 53.34 O ATOM 876 CB THR A 63 5.191 -13.081 -3.649 1.00 11.50 C ATOM 877 OG1 THR A 63 4.860 -14.349 -4.172 1.00 12.10 O ATOM 878 CG2 THR A 63 3.972 -12.556 -2.889 1.00 24.10 C ATOM 0 H THR A 63 3.715 -12.239 -5.434 1.00 0.12 H new ATOM 0 HA THR A 63 6.185 -11.286 -4.312 1.00 34.01 H new ATOM 0 HB THR A 63 6.027 -13.148 -2.952 1.00 11.50 H new ATOM 0 HG1 THR A 63 4.573 -14.939 -3.444 1.00 12.10 H new ATOM 0 HG21 THR A 63 3.688 -13.272 -2.118 1.00 24.10 H new ATOM 0 HG22 THR A 63 4.216 -11.601 -2.425 1.00 24.10 H new ATOM 0 HG23 THR A 63 3.142 -12.421 -3.582 1.00 24.10 H new ATOM 886 N GLN A 64 7.887 -13.100 -5.111 1.00 35.20 N ATOM 887 CA GLN A 64 8.942 -13.920 -5.699 1.00 55.55 C ATOM 888 C GLN A 64 8.369 -15.262 -6.183 1.00 4.21 C ATOM 889 O GLN A 64 8.683 -15.703 -7.287 1.00 64.45 O ATOM 890 CB GLN A 64 10.048 -14.091 -4.645 1.00 53.41 C ATOM 891 CG GLN A 64 11.249 -14.928 -5.109 1.00 63.23 C ATOM 892 CD GLN A 64 12.358 -14.911 -4.057 1.00 20.43 C ATOM 893 OE1 GLN A 64 12.461 -15.799 -3.214 1.00 72.32 O ATOM 894 NE2 GLN A 64 13.147 -13.855 -3.999 1.00 2.30 N ATOM 0 H GLN A 64 8.135 -12.761 -4.181 1.00 35.20 H new ATOM 0 HA GLN A 64 9.370 -13.439 -6.579 1.00 55.55 H new ATOM 0 HB2 GLN A 64 10.403 -13.105 -4.346 1.00 53.41 H new ATOM 0 HB3 GLN A 64 9.618 -14.557 -3.758 1.00 53.41 H new ATOM 0 HG2 GLN A 64 10.933 -15.954 -5.295 1.00 63.23 H new ATOM 0 HG3 GLN A 64 11.629 -14.536 -6.052 1.00 63.23 H new ATOM 0 HE21 GLN A 64 13.063 -13.117 -4.698 1.00 2.30 H new ATOM 0 HE22 GLN A 64 13.841 -13.777 -3.255 1.00 2.30 H new ATOM 901 N SER A 65 7.492 -15.876 -5.386 1.00 13.32 N ATOM 902 CA SER A 65 6.772 -17.102 -5.714 1.00 2.23 C ATOM 903 C SER A 65 5.729 -16.934 -6.829 1.00 22.12 C ATOM 904 O SER A 65 5.071 -17.910 -7.189 1.00 20.33 O ATOM 905 CB SER A 65 6.116 -17.624 -4.436 1.00 23.23 C ATOM 906 OG SER A 65 7.112 -18.087 -3.541 1.00 0.43 O ATOM 0 H SER A 65 7.257 -15.517 -4.461 1.00 13.32 H new ATOM 0 HA SER A 65 7.495 -17.817 -6.108 1.00 2.23 H new ATOM 0 HB2 SER A 65 5.532 -16.833 -3.967 1.00 23.23 H new ATOM 0 HB3 SER A 65 5.424 -18.432 -4.675 1.00 23.23 H new ATOM 0 HG SER A 65 6.687 -18.419 -2.723 1.00 0.43 H new ATOM 911 N GLY A 66 5.552 -15.738 -7.395 1.00 34.13 N ATOM 912 CA GLY A 66 4.562 -15.504 -8.433 1.00 15.44 C ATOM 913 C GLY A 66 3.140 -15.527 -7.880 1.00 41.23 C ATOM 914 O GLY A 66 2.192 -15.692 -8.652 1.00 31.21 O ATOM 0 H GLY A 66 6.093 -14.910 -7.143 1.00 34.13 H new ATOM 0 HA2 GLY A 66 4.752 -14.540 -8.905 1.00 15.44 H new ATOM 0 HA3 GLY A 66 4.662 -16.264 -9.208 1.00 15.44 H new ATOM 918 N GLU A 67 2.953 -15.374 -6.567 1.00 3.30 N ATOM 919 CA GLU A 67 1.634 -15.260 -5.971 1.00 74.32 C ATOM 920 C GLU A 67 1.243 -13.802 -5.985 1.00 73.43 C ATOM 921 O GLU A 67 2.097 -12.939 -5.794 1.00 63.21 O ATOM 922 CB GLU A 67 1.656 -15.766 -4.536 1.00 60.41 C ATOM 923 CG GLU A 67 1.750 -17.281 -4.521 1.00 61.15 C ATOM 924 CD GLU A 67 1.621 -17.774 -3.088 1.00 4.31 C ATOM 925 OE1 GLU A 67 2.621 -17.658 -2.341 1.00 21.33 O ATOM 926 OE2 GLU A 67 0.540 -18.288 -2.741 1.00 24.03 O ATOM 0 H GLU A 67 3.717 -15.326 -5.893 1.00 3.30 H new ATOM 0 HA GLU A 67 0.918 -15.858 -6.535 1.00 74.32 H new ATOM 0 HB2 GLU A 67 2.504 -15.336 -4.003 1.00 60.41 H new ATOM 0 HB3 GLU A 67 0.755 -15.444 -4.014 1.00 60.41 H new ATOM 0 HG2 GLU A 67 0.963 -17.713 -5.139 1.00 61.15 H new ATOM 0 HG3 GLU A 67 2.701 -17.603 -4.945 1.00 61.15 H new ATOM 931 N LYS A 68 -0.022 -13.501 -6.240 1.00 75.11 N ATOM 932 CA LYS A 68 -0.514 -12.153 -6.348 1.00 74.25 C ATOM 933 C LYS A 68 -1.360 -11.861 -5.125 1.00 13.12 C ATOM 934 O LYS A 68 -2.027 -12.747 -4.592 1.00 53.25 O ATOM 935 CB LYS A 68 -1.297 -12.028 -7.655 1.00 15.22 C ATOM 936 CG LYS A 68 -1.356 -10.575 -8.101 1.00 60.23 C ATOM 937 CD LYS A 68 -1.984 -10.438 -9.490 1.00 20.41 C ATOM 938 CE LYS A 68 -1.674 -9.068 -10.100 1.00 72.13 C ATOM 939 NZ LYS A 68 -0.282 -8.986 -10.595 1.00 35.40 N ATOM 0 H LYS A 68 -0.743 -14.209 -6.379 1.00 75.11 H new ATOM 0 HA LYS A 68 0.292 -11.420 -6.378 1.00 74.25 H new ATOM 0 HB2 LYS A 68 -0.825 -12.634 -8.429 1.00 15.22 H new ATOM 0 HB3 LYS A 68 -2.307 -12.415 -7.520 1.00 15.22 H new ATOM 0 HG2 LYS A 68 -1.934 -9.996 -7.381 1.00 60.23 H new ATOM 0 HG3 LYS A 68 -0.350 -10.156 -8.113 1.00 60.23 H new ATOM 0 HD2 LYS A 68 -1.606 -11.225 -10.143 1.00 20.41 H new ATOM 0 HD3 LYS A 68 -3.063 -10.573 -9.420 1.00 20.41 H new ATOM 0 HE2 LYS A 68 -2.363 -8.872 -10.921 1.00 72.13 H new ATOM 0 HE3 LYS A 68 -1.840 -8.292 -9.353 1.00 72.13 H new ATOM 0 HZ1 LYS A 68 -0.076 -8.011 -10.891 1.00 35.40 H new ATOM 0 HZ2 LYS A 68 0.373 -9.264 -9.836 1.00 35.40 H new ATOM 0 HZ3 LYS A 68 -0.164 -9.626 -11.406 1.00 35.40 H new ATOM 949 N PHE A 69 -1.341 -10.607 -4.713 1.00 33.22 N ATOM 950 CA PHE A 69 -2.127 -10.089 -3.605 1.00 35.24 C ATOM 951 C PHE A 69 -2.705 -8.735 -3.998 1.00 21.44 C ATOM 952 O PHE A 69 -2.096 -7.984 -4.772 1.00 4.10 O ATOM 953 CB PHE A 69 -1.239 -9.972 -2.363 1.00 35.02 C ATOM 954 CG PHE A 69 0.049 -9.195 -2.582 1.00 33.14 C ATOM 955 CD1 PHE A 69 0.072 -7.798 -2.410 1.00 22.14 C ATOM 956 CD2 PHE A 69 1.217 -9.863 -3.000 1.00 44.25 C ATOM 957 CE1 PHE A 69 1.254 -7.073 -2.630 1.00 75.32 C ATOM 958 CE2 PHE A 69 2.396 -9.136 -3.215 1.00 0.23 C ATOM 959 CZ PHE A 69 2.425 -7.746 -3.017 1.00 75.41 C ATOM 0 H PHE A 69 -0.759 -9.896 -5.155 1.00 33.22 H new ATOM 0 HA PHE A 69 -2.950 -10.765 -3.373 1.00 35.24 H new ATOM 0 HB2 PHE A 69 -1.809 -9.490 -1.568 1.00 35.02 H new ATOM 0 HB3 PHE A 69 -0.990 -10.974 -2.014 1.00 35.02 H new ATOM 0 HD1 PHE A 69 -0.826 -7.280 -2.107 1.00 22.14 H new ATOM 0 HD2 PHE A 69 1.204 -10.932 -3.154 1.00 44.25 H new ATOM 0 HE1 PHE A 69 1.263 -6.001 -2.502 1.00 75.32 H new ATOM 0 HE2 PHE A 69 3.290 -9.650 -3.536 1.00 0.23 H new ATOM 0 HZ PHE A 69 3.344 -7.197 -3.162 1.00 75.41 H new ATOM 968 N THR A 70 -3.859 -8.403 -3.435 1.00 64.53 N ATOM 969 CA THR A 70 -4.544 -7.140 -3.632 1.00 53.31 C ATOM 970 C THR A 70 -5.118 -6.683 -2.309 1.00 22.45 C ATOM 971 O THR A 70 -5.324 -7.462 -1.374 1.00 20.23 O ATOM 972 CB THR A 70 -5.703 -7.327 -4.641 1.00 72.50 C ATOM 973 OG1 THR A 70 -6.579 -8.339 -4.181 1.00 75.42 O ATOM 974 CG2 THR A 70 -5.270 -7.701 -6.056 1.00 40.34 C ATOM 0 H THR A 70 -4.359 -9.031 -2.806 1.00 64.53 H new ATOM 0 HA THR A 70 -3.841 -6.401 -4.016 1.00 53.31 H new ATOM 0 HB THR A 70 -6.184 -6.351 -4.699 1.00 72.50 H new ATOM 0 HG1 THR A 70 -7.312 -8.453 -4.821 1.00 75.42 H new ATOM 0 HG21 THR A 70 -6.151 -7.810 -6.689 1.00 40.34 H new ATOM 0 HG22 THR A 70 -4.628 -6.918 -6.459 1.00 40.34 H new ATOM 0 HG23 THR A 70 -4.722 -8.643 -6.032 1.00 40.34 H new ATOM 982 N GLY A 71 -5.403 -5.394 -2.269 1.00 75.21 N ATOM 983 CA GLY A 71 -6.067 -4.735 -1.169 1.00 3.15 C ATOM 984 C GLY A 71 -6.992 -3.725 -1.808 1.00 73.44 C ATOM 985 O GLY A 71 -6.532 -2.697 -2.309 1.00 61.24 O ATOM 0 H GLY A 71 -5.168 -4.758 -3.031 1.00 75.21 H new ATOM 0 HA2 GLY A 71 -6.623 -5.449 -0.561 1.00 3.15 H new ATOM 0 HA3 GLY A 71 -5.348 -4.248 -0.510 1.00 3.15 H new ATOM 989 N HIS A 72 -8.268 -4.077 -1.896 1.00 53.12 N ATOM 990 CA HIS A 72 -9.315 -3.229 -2.430 1.00 75.52 C ATOM 991 C HIS A 72 -10.037 -2.659 -1.218 1.00 23.44 C ATOM 992 O HIS A 72 -10.851 -3.345 -0.589 1.00 71.42 O ATOM 993 CB HIS A 72 -10.207 -4.036 -3.384 1.00 34.42 C ATOM 994 CG HIS A 72 -9.452 -4.476 -4.611 1.00 61.23 C ATOM 995 ND1 HIS A 72 -9.107 -3.658 -5.659 1.00 55.02 N ATOM 996 CD2 HIS A 72 -8.955 -5.723 -4.873 1.00 54.22 C ATOM 997 CE1 HIS A 72 -8.408 -4.392 -6.538 1.00 61.54 C ATOM 998 NE2 HIS A 72 -8.290 -5.657 -6.106 1.00 3.03 N ATOM 0 H HIS A 72 -8.609 -4.988 -1.588 1.00 53.12 H new ATOM 0 HA HIS A 72 -8.942 -2.405 -3.038 1.00 75.52 H new ATOM 0 HB2 HIS A 72 -10.599 -4.910 -2.864 1.00 34.42 H new ATOM 0 HB3 HIS A 72 -11.064 -3.431 -3.681 1.00 34.42 H new ATOM 0 HD1 HIS A 72 -9.340 -2.669 -5.752 1.00 55.02 H new ATOM 0 HD2 HIS A 72 -9.056 -6.597 -4.246 1.00 54.22 H new ATOM 0 HE1 HIS A 72 -7.998 -4.017 -7.464 1.00 61.54 H new ATOM 1005 N PHE A 73 -9.661 -1.444 -0.831 1.00 73.22 N ATOM 1006 CA PHE A 73 -10.030 -0.828 0.428 1.00 75.44 C ATOM 1007 C PHE A 73 -10.864 0.413 0.162 1.00 63.10 C ATOM 1008 O PHE A 73 -10.552 1.202 -0.731 1.00 33.55 O ATOM 1009 CB PHE A 73 -8.778 -0.423 1.210 1.00 55.14 C ATOM 1010 CG PHE A 73 -7.811 -1.537 1.548 1.00 40.32 C ATOM 1011 CD1 PHE A 73 -8.178 -2.543 2.459 1.00 41.24 C ATOM 1012 CD2 PHE A 73 -6.517 -1.531 0.997 1.00 12.45 C ATOM 1013 CE1 PHE A 73 -7.239 -3.527 2.824 1.00 71.40 C ATOM 1014 CE2 PHE A 73 -5.574 -2.497 1.381 1.00 74.01 C ATOM 1015 CZ PHE A 73 -5.943 -3.498 2.292 1.00 15.15 C ATOM 0 H PHE A 73 -9.071 -0.845 -1.409 1.00 73.22 H new ATOM 0 HA PHE A 73 -10.604 -1.548 1.012 1.00 75.44 H new ATOM 0 HB2 PHE A 73 -8.243 0.332 0.633 1.00 55.14 H new ATOM 0 HB3 PHE A 73 -9.093 0.051 2.140 1.00 55.14 H new ATOM 0 HD1 PHE A 73 -9.174 -2.561 2.876 1.00 41.24 H new ATOM 0 HD2 PHE A 73 -6.247 -0.777 0.273 1.00 12.45 H new ATOM 0 HE1 PHE A 73 -7.519 -4.307 3.517 1.00 71.40 H new ATOM 0 HE2 PHE A 73 -4.572 -2.470 0.978 1.00 74.01 H new ATOM 0 HZ PHE A 73 -5.225 -4.250 2.585 1.00 15.15 H new ATOM 1024 N LYS A 74 -11.854 0.644 1.017 1.00 24.24 N ATOM 1025 CA LYS A 74 -12.683 1.846 1.044 1.00 44.21 C ATOM 1026 C LYS A 74 -12.793 2.329 2.484 1.00 35.04 C ATOM 1027 O LYS A 74 -12.405 1.604 3.407 1.00 13.44 O ATOM 1028 CB LYS A 74 -14.071 1.522 0.465 1.00 51.24 C ATOM 1029 CG LYS A 74 -14.042 1.269 -1.048 1.00 42.10 C ATOM 1030 CD LYS A 74 -15.437 0.858 -1.550 1.00 33.35 C ATOM 1031 CE LYS A 74 -15.684 1.278 -3.002 1.00 44.14 C ATOM 1032 NZ LYS A 74 -15.821 2.743 -3.129 1.00 2.23 N ATOM 0 H LYS A 74 -12.112 -0.028 1.740 1.00 24.24 H new ATOM 0 HA LYS A 74 -12.236 2.634 0.438 1.00 44.21 H new ATOM 0 HB2 LYS A 74 -14.473 0.642 0.968 1.00 51.24 H new ATOM 0 HB3 LYS A 74 -14.750 2.348 0.677 1.00 51.24 H new ATOM 0 HG2 LYS A 74 -13.712 2.169 -1.567 1.00 42.10 H new ATOM 0 HG3 LYS A 74 -13.320 0.485 -1.278 1.00 42.10 H new ATOM 0 HD2 LYS A 74 -15.547 -0.223 -1.464 1.00 33.35 H new ATOM 0 HD3 LYS A 74 -16.197 1.307 -0.911 1.00 33.35 H new ATOM 0 HE2 LYS A 74 -14.859 0.934 -3.626 1.00 44.14 H new ATOM 0 HE3 LYS A 74 -16.588 0.794 -3.373 1.00 44.14 H new ATOM 0 HZ1 LYS A 74 -16.280 2.972 -4.034 1.00 2.23 H new ATOM 0 HZ2 LYS A 74 -16.400 3.107 -2.346 1.00 2.23 H new ATOM 0 HZ3 LYS A 74 -14.880 3.184 -3.097 1.00 2.23 H new ATOM 1042 N GLY A 75 -13.363 3.515 2.681 1.00 34.12 N ATOM 1043 CA GLY A 75 -13.650 4.033 4.002 1.00 33.15 C ATOM 1044 C GLY A 75 -12.383 4.393 4.763 1.00 52.50 C ATOM 1045 O GLY A 75 -12.263 4.047 5.940 1.00 60.33 O ATOM 0 H GLY A 75 -13.637 4.140 1.923 1.00 34.12 H new ATOM 0 HA2 GLY A 75 -14.283 4.916 3.915 1.00 33.15 H new ATOM 0 HA3 GLY A 75 -14.214 3.291 4.567 1.00 33.15 H new ATOM 1049 N LEU A 76 -11.413 5.015 4.082 1.00 23.44 N ATOM 1050 CA LEU A 76 -10.138 5.354 4.705 1.00 60.30 C ATOM 1051 C LEU A 76 -10.167 6.800 5.185 1.00 75.11 C ATOM 1052 O LEU A 76 -10.796 7.668 4.573 1.00 23.13 O ATOM 1053 CB LEU A 76 -8.965 5.126 3.738 1.00 62.34 C ATOM 1054 CG LEU A 76 -8.858 3.701 3.165 1.00 43.23 C ATOM 1055 CD1 LEU A 76 -7.693 3.655 2.174 1.00 62.23 C ATOM 1056 CD2 LEU A 76 -8.637 2.642 4.246 1.00 3.13 C ATOM 0 H LEU A 76 -11.491 5.291 3.103 1.00 23.44 H new ATOM 0 HA LEU A 76 -9.988 4.697 5.562 1.00 60.30 H new ATOM 0 HB2 LEU A 76 -9.056 5.828 2.909 1.00 62.34 H new ATOM 0 HB3 LEU A 76 -8.036 5.363 4.256 1.00 62.34 H new ATOM 0 HG LEU A 76 -9.805 3.471 2.677 1.00 43.23 H new ATOM 0 HD11 LEU A 76 -7.606 2.650 1.761 1.00 62.23 H new ATOM 0 HD12 LEU A 76 -7.874 4.365 1.367 1.00 62.23 H new ATOM 0 HD13 LEU A 76 -6.768 3.917 2.688 1.00 62.23 H new ATOM 0 HD21 LEU A 76 -8.569 1.658 3.783 1.00 3.13 H new ATOM 0 HD22 LEU A 76 -7.712 2.856 4.781 1.00 3.13 H new ATOM 0 HD23 LEU A 76 -9.472 2.657 4.946 1.00 3.13 H new ATOM 1067 N VAL A 77 -9.403 7.082 6.234 1.00 52.44 N ATOM 1068 CA VAL A 77 -9.197 8.418 6.777 1.00 40.50 C ATOM 1069 C VAL A 77 -7.721 8.605 7.108 1.00 33.21 C ATOM 1070 O VAL A 77 -6.968 7.630 7.192 1.00 0.52 O ATOM 1071 CB VAL A 77 -10.090 8.661 8.014 1.00 71.41 C ATOM 1072 CG1 VAL A 77 -11.529 8.946 7.587 1.00 64.34 C ATOM 1073 CG2 VAL A 77 -10.056 7.517 9.038 1.00 15.12 C ATOM 0 H VAL A 77 -8.893 6.362 6.746 1.00 52.44 H new ATOM 0 HA VAL A 77 -9.486 9.157 6.029 1.00 40.50 H new ATOM 0 HB VAL A 77 -9.674 9.533 8.518 1.00 71.41 H new ATOM 0 HG11 VAL A 77 -12.144 9.115 8.471 1.00 64.34 H new ATOM 0 HG12 VAL A 77 -11.552 9.833 6.954 1.00 64.34 H new ATOM 0 HG13 VAL A 77 -11.919 8.094 7.031 1.00 64.34 H new ATOM 0 HG21 VAL A 77 -10.707 7.761 9.877 1.00 15.12 H new ATOM 0 HG22 VAL A 77 -10.400 6.596 8.567 1.00 15.12 H new ATOM 0 HG23 VAL A 77 -9.036 7.381 9.398 1.00 15.12 H new ATOM 1083 N GLY A 78 -7.334 9.858 7.347 1.00 42.53 N ATOM 1084 CA GLY A 78 -6.000 10.247 7.769 1.00 23.33 C ATOM 1085 C GLY A 78 -5.161 10.710 6.580 1.00 55.44 C ATOM 1086 O GLY A 78 -5.448 10.380 5.427 1.00 11.45 O ATOM 0 H GLY A 78 -7.966 10.652 7.247 1.00 42.53 H new ATOM 0 HA2 GLY A 78 -6.067 11.048 8.505 1.00 23.33 H new ATOM 0 HA3 GLY A 78 -5.510 9.405 8.258 1.00 23.33 H new ATOM 1090 N LYS A 79 -4.129 11.511 6.843 1.00 3.15 N ATOM 1091 CA LYS A 79 -3.287 12.141 5.828 1.00 72.12 C ATOM 1092 C LYS A 79 -2.178 11.217 5.313 1.00 61.44 C ATOM 1093 O LYS A 79 -1.297 11.659 4.574 1.00 41.51 O ATOM 1094 CB LYS A 79 -2.691 13.424 6.420 1.00 30.01 C ATOM 1095 CG LYS A 79 -2.534 14.515 5.353 1.00 31.44 C ATOM 1096 CD LYS A 79 -1.710 15.669 5.944 1.00 12.41 C ATOM 1097 CE LYS A 79 -2.115 17.046 5.413 1.00 74.20 C ATOM 1098 NZ LYS A 79 -1.601 18.112 6.300 1.00 22.21 N ATOM 0 H LYS A 79 -3.848 11.746 7.795 1.00 3.15 H new ATOM 0 HA LYS A 79 -3.910 12.370 4.963 1.00 72.12 H new ATOM 0 HB2 LYS A 79 -3.333 13.788 7.222 1.00 30.01 H new ATOM 0 HB3 LYS A 79 -1.720 13.205 6.863 1.00 30.01 H new ATOM 0 HG2 LYS A 79 -2.039 14.111 4.470 1.00 31.44 H new ATOM 0 HG3 LYS A 79 -3.512 14.874 5.034 1.00 31.44 H new ATOM 0 HD2 LYS A 79 -1.816 15.662 7.029 1.00 12.41 H new ATOM 0 HD3 LYS A 79 -0.655 15.500 5.726 1.00 12.41 H new ATOM 0 HE2 LYS A 79 -1.724 17.183 4.405 1.00 74.20 H new ATOM 0 HE3 LYS A 79 -3.201 17.112 5.346 1.00 74.20 H new ATOM 0 HZ1 LYS A 79 -1.353 18.947 5.732 1.00 22.21 H new ATOM 0 HZ2 LYS A 79 -2.332 18.370 6.993 1.00 22.21 H new ATOM 0 HZ3 LYS A 79 -0.756 17.770 6.800 1.00 22.21 H new ATOM 1108 N ASP A 80 -2.162 9.962 5.739 1.00 34.43 N ATOM 1109 CA ASP A 80 -1.134 8.982 5.412 1.00 22.23 C ATOM 1110 C ASP A 80 -1.796 7.621 5.273 1.00 73.40 C ATOM 1111 O ASP A 80 -2.883 7.388 5.819 1.00 11.45 O ATOM 1112 CB ASP A 80 -0.077 8.934 6.520 1.00 11.24 C ATOM 1113 CG ASP A 80 1.329 8.708 6.001 1.00 53.23 C ATOM 1114 OD1 ASP A 80 1.583 7.642 5.394 1.00 70.20 O ATOM 1115 OD2 ASP A 80 2.199 9.558 6.317 1.00 31.32 O ATOM 0 H ASP A 80 -2.891 9.584 6.344 1.00 34.43 H new ATOM 0 HA ASP A 80 -0.643 9.259 4.479 1.00 22.23 H new ATOM 0 HB2 ASP A 80 -0.104 9.870 7.079 1.00 11.24 H new ATOM 0 HB3 ASP A 80 -0.331 8.138 7.220 1.00 11.24 H new ATOM 1119 N THR A 81 -1.129 6.701 4.595 1.00 41.52 N ATOM 1120 CA THR A 81 -1.679 5.410 4.222 1.00 14.52 C ATOM 1121 C THR A 81 -0.559 4.372 4.274 1.00 61.04 C ATOM 1122 O THR A 81 0.268 4.252 3.367 1.00 13.21 O ATOM 1123 CB THR A 81 -2.392 5.503 2.857 1.00 1.42 C ATOM 1124 OG1 THR A 81 -1.991 6.622 2.086 1.00 31.45 O ATOM 1125 CG2 THR A 81 -3.907 5.627 3.047 1.00 11.25 C ATOM 0 H THR A 81 -0.168 6.835 4.282 1.00 41.52 H new ATOM 0 HA THR A 81 -2.448 5.090 4.925 1.00 14.52 H new ATOM 0 HB THR A 81 -2.117 4.588 2.332 1.00 1.42 H new ATOM 0 HG1 THR A 81 -2.476 6.623 1.234 1.00 31.45 H new ATOM 0 HG21 THR A 81 -4.392 5.691 2.073 1.00 11.25 H new ATOM 0 HG22 THR A 81 -4.280 4.753 3.581 1.00 11.25 H new ATOM 0 HG23 THR A 81 -4.129 6.525 3.623 1.00 11.25 H new ATOM 1133 N ARG A 82 -0.495 3.641 5.390 1.00 35.02 N ATOM 1134 CA ARG A 82 0.433 2.530 5.550 1.00 22.03 C ATOM 1135 C ARG A 82 -0.238 1.260 5.112 1.00 41.21 C ATOM 1136 O ARG A 82 -1.454 1.131 5.237 1.00 11.52 O ATOM 1137 CB ARG A 82 0.916 2.424 7.000 1.00 42.30 C ATOM 1138 CG ARG A 82 2.109 3.356 7.164 1.00 1.42 C ATOM 1139 CD ARG A 82 2.642 3.402 8.596 1.00 32.31 C ATOM 1140 NE ARG A 82 1.766 4.135 9.533 1.00 32.31 N ATOM 1141 CZ ARG A 82 1.561 5.462 9.550 1.00 65.12 C ATOM 1142 NH1 ARG A 82 2.020 6.238 8.579 1.00 1.21 N ATOM 1143 NH2 ARG A 82 0.897 6.027 10.553 1.00 33.23 N ATOM 0 H ARG A 82 -1.086 3.806 6.204 1.00 35.02 H new ATOM 0 HA ARG A 82 1.311 2.704 4.928 1.00 22.03 H new ATOM 0 HB2 ARG A 82 0.118 2.700 7.689 1.00 42.30 H new ATOM 0 HB3 ARG A 82 1.198 1.398 7.234 1.00 42.30 H new ATOM 0 HG2 ARG A 82 2.908 3.035 6.496 1.00 1.42 H new ATOM 0 HG3 ARG A 82 1.822 4.362 6.857 1.00 1.42 H new ATOM 0 HD2 ARG A 82 2.774 2.382 8.958 1.00 32.31 H new ATOM 0 HD3 ARG A 82 3.627 3.869 8.593 1.00 32.31 H new ATOM 0 HE ARG A 82 1.271 3.582 10.232 1.00 32.31 H new ATOM 0 HH11 ARG A 82 2.539 5.829 7.802 1.00 1.21 H new ATOM 0 HH12 ARG A 82 1.855 7.244 8.609 1.00 1.21 H new ATOM 0 HH21 ARG A 82 0.540 5.452 11.316 1.00 33.23 H new ATOM 0 HH22 ARG A 82 0.745 7.036 10.560 1.00 33.23 H new ATOM 1154 N VAL A 83 0.568 0.315 4.657 1.00 14.51 N ATOM 1155 CA VAL A 83 0.091 -0.892 4.011 1.00 11.12 C ATOM 1156 C VAL A 83 0.912 -2.032 4.568 1.00 24.21 C ATOM 1157 O VAL A 83 2.138 -2.035 4.423 1.00 31.33 O ATOM 1158 CB VAL A 83 0.196 -0.755 2.485 1.00 55.51 C ATOM 1159 CG1 VAL A 83 -0.430 -1.971 1.781 1.00 15.43 C ATOM 1160 CG2 VAL A 83 -0.472 0.521 1.951 1.00 53.41 C ATOM 0 H VAL A 83 1.584 0.367 4.728 1.00 14.51 H new ATOM 0 HA VAL A 83 -0.964 -1.080 4.212 1.00 11.12 H new ATOM 0 HB VAL A 83 1.262 -0.698 2.264 1.00 55.51 H new ATOM 0 HG11 VAL A 83 -0.343 -1.851 0.701 1.00 15.43 H new ATOM 0 HG12 VAL A 83 0.092 -2.878 2.088 1.00 15.43 H new ATOM 0 HG13 VAL A 83 -1.482 -2.048 2.054 1.00 15.43 H new ATOM 0 HG21 VAL A 83 -0.365 0.562 0.867 1.00 53.41 H new ATOM 0 HG22 VAL A 83 -1.531 0.514 2.211 1.00 53.41 H new ATOM 0 HG23 VAL A 83 0.005 1.395 2.396 1.00 53.41 H new ATOM 1170 N PHE A 84 0.251 -2.966 5.246 1.00 60.22 N ATOM 1171 CA PHE A 84 0.906 -4.112 5.867 1.00 33.33 C ATOM 1172 C PHE A 84 0.623 -5.318 4.976 1.00 3.23 C ATOM 1173 O PHE A 84 -0.488 -5.843 4.973 1.00 23.22 O ATOM 1174 CB PHE A 84 0.430 -4.282 7.323 1.00 61.34 C ATOM 1175 CG PHE A 84 0.734 -3.147 8.299 1.00 41.24 C ATOM 1176 CD1 PHE A 84 1.590 -2.080 7.963 1.00 42.21 C ATOM 1177 CD2 PHE A 84 0.182 -3.181 9.592 1.00 54.32 C ATOM 1178 CE1 PHE A 84 1.872 -1.057 8.883 1.00 25.11 C ATOM 1179 CE2 PHE A 84 0.458 -2.159 10.513 1.00 70.30 C ATOM 1180 CZ PHE A 84 1.304 -1.096 10.164 1.00 44.52 C ATOM 0 H PHE A 84 -0.760 -2.948 5.380 1.00 60.22 H new ATOM 0 HA PHE A 84 1.985 -3.980 5.941 1.00 33.33 H new ATOM 0 HB2 PHE A 84 -0.649 -4.434 7.309 1.00 61.34 H new ATOM 0 HB3 PHE A 84 0.875 -5.195 7.719 1.00 61.34 H new ATOM 0 HD1 PHE A 84 2.037 -2.048 6.981 1.00 42.21 H new ATOM 0 HD2 PHE A 84 -0.460 -4.001 9.879 1.00 54.32 H new ATOM 0 HE1 PHE A 84 2.524 -0.243 8.604 1.00 25.11 H new ATOM 0 HE2 PHE A 84 0.016 -2.191 11.498 1.00 70.30 H new ATOM 0 HZ PHE A 84 1.516 -0.313 10.877 1.00 44.52 H new ATOM 1189 N ILE A 85 1.595 -5.707 4.148 1.00 41.10 N ATOM 1190 CA ILE A 85 1.503 -6.976 3.423 1.00 60.20 C ATOM 1191 C ILE A 85 1.884 -8.009 4.472 1.00 0.45 C ATOM 1192 O ILE A 85 3.042 -8.011 4.881 1.00 40.52 O ATOM 1193 CB ILE A 85 2.438 -7.016 2.189 1.00 12.21 C ATOM 1194 CG1 ILE A 85 1.958 -6.036 1.102 1.00 20.34 C ATOM 1195 CG2 ILE A 85 2.485 -8.422 1.565 1.00 4.31 C ATOM 1196 CD1 ILE A 85 3.062 -5.659 0.103 1.00 62.34 C ATOM 0 H ILE A 85 2.443 -5.171 3.964 1.00 41.10 H new ATOM 0 HA ILE A 85 0.512 -7.150 3.004 1.00 60.20 H new ATOM 0 HB ILE A 85 3.430 -6.734 2.542 1.00 12.21 H new ATOM 0 HG12 ILE A 85 1.123 -6.482 0.561 1.00 20.34 H new ATOM 0 HG13 ILE A 85 1.582 -5.130 1.578 1.00 20.34 H new ATOM 0 HG21 ILE A 85 3.150 -8.415 0.701 1.00 4.31 H new ATOM 0 HG22 ILE A 85 2.855 -9.135 2.302 1.00 4.31 H new ATOM 0 HG23 ILE A 85 1.483 -8.714 1.249 1.00 4.31 H new ATOM 0 HD11 ILE A 85 2.662 -4.967 -0.638 1.00 62.34 H new ATOM 0 HD12 ILE A 85 3.887 -5.185 0.634 1.00 62.34 H new ATOM 0 HD13 ILE A 85 3.422 -6.558 -0.398 1.00 62.34 H new ATOM 1207 N GLU A 86 0.934 -8.824 4.916 1.00 21.45 N ATOM 1208 CA GLU A 86 1.108 -9.928 5.854 1.00 34.25 C ATOM 1209 C GLU A 86 0.420 -11.143 5.222 1.00 22.43 C ATOM 1210 O GLU A 86 -0.205 -11.039 4.161 1.00 4.52 O ATOM 1211 CB GLU A 86 0.543 -9.563 7.244 1.00 74.41 C ATOM 1212 CG GLU A 86 1.284 -8.365 7.858 1.00 53.32 C ATOM 1213 CD GLU A 86 0.934 -8.053 9.320 1.00 32.23 C ATOM 1214 OE1 GLU A 86 -0.125 -7.433 9.578 1.00 51.11 O ATOM 1215 OE2 GLU A 86 1.765 -8.361 10.210 1.00 51.43 O ATOM 0 H GLU A 86 -0.035 -8.726 4.613 1.00 21.45 H new ATOM 0 HA GLU A 86 2.160 -10.154 6.029 1.00 34.25 H new ATOM 0 HB2 GLU A 86 -0.518 -9.329 7.156 1.00 74.41 H new ATOM 0 HB3 GLU A 86 0.626 -10.423 7.909 1.00 74.41 H new ATOM 0 HG2 GLU A 86 2.356 -8.549 7.790 1.00 53.32 H new ATOM 0 HG3 GLU A 86 1.074 -7.482 7.255 1.00 53.32 H new ATOM 1220 N LEU A 87 0.565 -12.310 5.844 1.00 1.32 N ATOM 1221 CA LEU A 87 -0.130 -13.519 5.406 1.00 41.20 C ATOM 1222 C LEU A 87 -1.443 -13.616 6.180 1.00 73.40 C ATOM 1223 O LEU A 87 -1.671 -12.873 7.145 1.00 15.51 O ATOM 1224 CB LEU A 87 0.729 -14.788 5.621 1.00 62.14 C ATOM 1225 CG LEU A 87 2.157 -14.701 5.049 1.00 3.11 C ATOM 1226 CD1 LEU A 87 3.013 -15.903 5.459 1.00 44.32 C ATOM 1227 CD2 LEU A 87 2.155 -14.580 3.520 1.00 31.31 C ATOM 0 H LEU A 87 1.162 -12.445 6.660 1.00 1.32 H new ATOM 0 HA LEU A 87 -0.324 -13.455 4.335 1.00 41.20 H new ATOM 0 HB2 LEU A 87 0.792 -14.991 6.690 1.00 62.14 H new ATOM 0 HB3 LEU A 87 0.220 -15.637 5.164 1.00 62.14 H new ATOM 0 HG LEU A 87 2.595 -13.797 5.473 1.00 3.11 H new ATOM 0 HD11 LEU A 87 4.011 -15.800 5.034 1.00 44.32 H new ATOM 0 HD12 LEU A 87 3.084 -15.945 6.546 1.00 44.32 H new ATOM 0 HD13 LEU A 87 2.554 -16.820 5.089 1.00 44.32 H new ATOM 0 HD21 LEU A 87 3.182 -14.521 3.158 1.00 31.31 H new ATOM 0 HD22 LEU A 87 1.667 -15.453 3.087 1.00 31.31 H new ATOM 0 HD23 LEU A 87 1.615 -13.680 3.227 1.00 31.31 H new ATOM 1238 N ASP A 88 -2.279 -14.589 5.827 1.00 23.34 N ATOM 1239 CA ASP A 88 -3.118 -15.238 6.825 1.00 61.23 C ATOM 1240 C ASP A 88 -3.379 -16.691 6.426 1.00 73.42 C ATOM 1241 O ASP A 88 -2.720 -17.195 5.513 1.00 3.15 O ATOM 1242 CB ASP A 88 -4.405 -14.463 7.144 1.00 40.12 C ATOM 1243 CG ASP A 88 -4.630 -14.455 8.663 1.00 55.51 C ATOM 1244 OD1 ASP A 88 -4.332 -15.491 9.316 1.00 60.13 O ATOM 1245 OD2 ASP A 88 -5.043 -13.397 9.195 1.00 23.15 O ATOM 0 H ASP A 88 -2.392 -14.939 4.876 1.00 23.34 H new ATOM 0 HA ASP A 88 -2.567 -15.238 7.766 1.00 61.23 H new ATOM 0 HB2 ASP A 88 -4.330 -13.442 6.771 1.00 40.12 H new ATOM 0 HB3 ASP A 88 -5.255 -14.925 6.641 1.00 40.12 H new ATOM 1249 N GLU A 89 -4.288 -17.365 7.144 1.00 74.32 N ATOM 1250 CA GLU A 89 -4.731 -18.752 7.005 1.00 2.22 C ATOM 1251 C GLU A 89 -3.640 -19.810 6.894 1.00 21.25 C ATOM 1252 O GLU A 89 -3.476 -20.606 7.818 1.00 51.34 O ATOM 1253 CB GLU A 89 -5.892 -18.963 6.000 1.00 14.41 C ATOM 1254 CG GLU A 89 -6.089 -17.910 4.894 1.00 24.03 C ATOM 1255 CD GLU A 89 -6.910 -16.702 5.383 1.00 75.31 C ATOM 1256 OE1 GLU A 89 -7.279 -16.650 6.588 1.00 62.00 O ATOM 1257 OE2 GLU A 89 -7.257 -15.832 4.562 1.00 11.25 O ATOM 0 H GLU A 89 -4.777 -16.904 7.911 1.00 74.32 H new ATOM 0 HA GLU A 89 -5.156 -18.938 7.991 1.00 2.22 H new ATOM 0 HB2 GLU A 89 -5.746 -19.930 5.519 1.00 14.41 H new ATOM 0 HB3 GLU A 89 -6.819 -19.027 6.569 1.00 14.41 H new ATOM 0 HG2 GLU A 89 -5.116 -17.568 4.543 1.00 24.03 H new ATOM 0 HG3 GLU A 89 -6.592 -18.369 4.043 1.00 24.03 H new ATOM 1262 N ASN A 90 -2.979 -19.899 5.747 1.00 13.25 N ATOM 1263 CA ASN A 90 -2.208 -21.053 5.293 1.00 11.14 C ATOM 1264 C ASN A 90 -1.037 -20.586 4.433 1.00 33.23 C ATOM 1265 O ASN A 90 -0.665 -21.245 3.468 1.00 2.44 O ATOM 1266 CB ASN A 90 -3.116 -22.061 4.557 1.00 53.21 C ATOM 1267 CG ASN A 90 -3.610 -21.598 3.199 1.00 63.13 C ATOM 1268 OD1 ASN A 90 -3.481 -22.285 2.193 1.00 4.20 O ATOM 1269 ND2 ASN A 90 -4.279 -20.468 3.139 1.00 23.03 N ATOM 0 H ASN A 90 -2.964 -19.132 5.074 1.00 13.25 H new ATOM 0 HA ASN A 90 -1.796 -21.577 6.155 1.00 11.14 H new ATOM 0 HB2 ASN A 90 -2.570 -22.996 4.430 1.00 53.21 H new ATOM 0 HB3 ASN A 90 -3.978 -22.279 5.187 1.00 53.21 H new ATOM 0 HD21 ASN A 90 -4.690 -20.165 2.256 1.00 23.03 H new ATOM 0 HD22 ASN A 90 -4.388 -19.895 3.976 1.00 23.03 H new ATOM 1275 N ALA A 91 -0.446 -19.444 4.791 1.00 63.24 N ATOM 1276 CA ALA A 91 0.488 -18.671 3.987 1.00 62.34 C ATOM 1277 C ALA A 91 -0.099 -18.341 2.611 1.00 63.44 C ATOM 1278 O ALA A 91 0.551 -18.548 1.583 1.00 43.41 O ATOM 1279 CB ALA A 91 1.850 -19.372 3.914 1.00 73.33 C ATOM 0 H ALA A 91 -0.619 -19.015 5.700 1.00 63.24 H new ATOM 0 HA ALA A 91 0.658 -17.711 4.475 1.00 62.34 H new ATOM 0 HB1 ALA A 91 2.533 -18.777 3.308 1.00 73.33 H new ATOM 0 HB2 ALA A 91 2.257 -19.481 4.919 1.00 73.33 H new ATOM 0 HB3 ALA A 91 1.729 -20.357 3.463 1.00 73.33 H new ATOM 1285 N ASP A 92 -1.325 -17.815 2.589 1.00 71.34 N ATOM 1286 CA ASP A 92 -1.807 -17.081 1.423 1.00 11.31 C ATOM 1287 C ASP A 92 -1.625 -15.611 1.737 1.00 31.40 C ATOM 1288 O ASP A 92 -1.796 -15.193 2.890 1.00 0.42 O ATOM 1289 CB ASP A 92 -3.289 -17.315 1.148 1.00 0.13 C ATOM 1290 CG ASP A 92 -3.588 -18.660 0.496 1.00 75.15 C ATOM 1291 OD1 ASP A 92 -2.744 -19.207 -0.250 1.00 62.12 O ATOM 1292 OD2 ASP A 92 -4.691 -19.201 0.733 1.00 51.44 O ATOM 0 H ASP A 92 -1.993 -17.883 3.356 1.00 71.34 H new ATOM 0 HA ASP A 92 -1.253 -17.415 0.546 1.00 11.31 H new ATOM 0 HB2 ASP A 92 -3.839 -17.247 2.087 1.00 0.13 H new ATOM 0 HB3 ASP A 92 -3.660 -16.518 0.503 1.00 0.13 H new ATOM 1296 N VAL A 93 -1.321 -14.827 0.712 1.00 22.14 N ATOM 1297 CA VAL A 93 -0.953 -13.439 0.888 1.00 12.23 C ATOM 1298 C VAL A 93 -2.203 -12.567 0.874 1.00 62.41 C ATOM 1299 O VAL A 93 -2.867 -12.444 -0.157 1.00 31.12 O ATOM 1300 CB VAL A 93 0.072 -13.026 -0.181 1.00 12.23 C ATOM 1301 CG1 VAL A 93 0.686 -11.671 0.192 1.00 1.53 C ATOM 1302 CG2 VAL A 93 1.186 -14.073 -0.319 1.00 35.23 C ATOM 0 H VAL A 93 -1.324 -15.139 -0.259 1.00 22.14 H new ATOM 0 HA VAL A 93 -0.474 -13.300 1.857 1.00 12.23 H new ATOM 0 HB VAL A 93 -0.446 -12.950 -1.137 1.00 12.23 H new ATOM 0 HG11 VAL A 93 1.412 -11.380 -0.567 1.00 1.53 H new ATOM 0 HG12 VAL A 93 -0.101 -10.919 0.249 1.00 1.53 H new ATOM 0 HG13 VAL A 93 1.183 -11.751 1.159 1.00 1.53 H new ATOM 0 HG21 VAL A 93 1.895 -13.752 -1.082 1.00 35.23 H new ATOM 0 HG22 VAL A 93 1.704 -14.181 0.634 1.00 35.23 H new ATOM 0 HG23 VAL A 93 0.752 -15.030 -0.607 1.00 35.23 H new ATOM 1312 N GLN A 94 -2.504 -11.963 2.022 1.00 2.52 N ATOM 1313 CA GLN A 94 -3.563 -10.972 2.171 1.00 22.44 C ATOM 1314 C GLN A 94 -2.944 -9.570 2.085 1.00 4.42 C ATOM 1315 O GLN A 94 -1.750 -9.418 1.800 1.00 61.40 O ATOM 1316 CB GLN A 94 -4.308 -11.186 3.505 1.00 3.13 C ATOM 1317 CG GLN A 94 -4.678 -12.642 3.825 1.00 51.13 C ATOM 1318 CD GLN A 94 -5.267 -13.419 2.648 1.00 55.44 C ATOM 1319 OE1 GLN A 94 -6.279 -13.040 2.057 1.00 2.45 O ATOM 1320 NE2 GLN A 94 -4.648 -14.525 2.274 1.00 41.10 N ATOM 0 H GLN A 94 -2.007 -12.154 2.892 1.00 2.52 H new ATOM 0 HA GLN A 94 -4.295 -11.080 1.371 1.00 22.44 H new ATOM 0 HB2 GLN A 94 -3.688 -10.800 4.314 1.00 3.13 H new ATOM 0 HB3 GLN A 94 -5.221 -10.591 3.491 1.00 3.13 H new ATOM 0 HG2 GLN A 94 -3.787 -13.161 4.177 1.00 51.13 H new ATOM 0 HG3 GLN A 94 -5.396 -12.649 4.645 1.00 51.13 H new ATOM 0 HE21 GLN A 94 -3.810 -14.833 2.768 1.00 41.10 H new ATOM 0 HE22 GLN A 94 -5.008 -15.071 1.491 1.00 41.10 H new ATOM 1327 N VAL A 95 -3.738 -8.529 2.338 1.00 41.54 N ATOM 1328 CA VAL A 95 -3.231 -7.186 2.552 1.00 1.33 C ATOM 1329 C VAL A 95 -4.021 -6.594 3.712 1.00 40.23 C ATOM 1330 O VAL A 95 -5.255 -6.568 3.708 1.00 41.13 O ATOM 1331 CB VAL A 95 -3.296 -6.317 1.279 1.00 53.11 C ATOM 1332 CG1 VAL A 95 -2.609 -4.960 1.517 1.00 34.33 C ATOM 1333 CG2 VAL A 95 -2.577 -6.950 0.077 1.00 42.34 C ATOM 0 H VAL A 95 -4.754 -8.601 2.399 1.00 41.54 H new ATOM 0 HA VAL A 95 -2.170 -7.217 2.798 1.00 1.33 H new ATOM 0 HB VAL A 95 -4.359 -6.213 1.059 1.00 53.11 H new ATOM 0 HG11 VAL A 95 -2.664 -4.360 0.609 1.00 34.33 H new ATOM 0 HG12 VAL A 95 -3.111 -4.435 2.330 1.00 34.33 H new ATOM 0 HG13 VAL A 95 -1.564 -5.123 1.781 1.00 34.33 H new ATOM 0 HG21 VAL A 95 -2.660 -6.289 -0.786 1.00 42.34 H new ATOM 0 HG22 VAL A 95 -1.525 -7.100 0.320 1.00 42.34 H new ATOM 0 HG23 VAL A 95 -3.036 -7.911 -0.157 1.00 42.34 H new ATOM 1343 N PHE A 96 -3.286 -6.053 4.673 1.00 43.20 N ATOM 1344 CA PHE A 96 -3.807 -5.398 5.846 1.00 0.23 C ATOM 1345 C PHE A 96 -3.377 -3.941 5.852 1.00 0.21 C ATOM 1346 O PHE A 96 -2.502 -3.509 5.093 1.00 73.34 O ATOM 1347 CB PHE A 96 -3.285 -6.150 7.079 1.00 11.12 C ATOM 1348 CG PHE A 96 -3.974 -5.741 8.361 1.00 21.41 C ATOM 1349 CD1 PHE A 96 -5.363 -5.921 8.494 1.00 41.40 C ATOM 1350 CD2 PHE A 96 -3.243 -5.127 9.391 1.00 44.23 C ATOM 1351 CE1 PHE A 96 -6.019 -5.456 9.645 1.00 21.22 C ATOM 1352 CE2 PHE A 96 -3.898 -4.670 10.547 1.00 4.14 C ATOM 1353 CZ PHE A 96 -5.289 -4.826 10.669 1.00 63.11 C ATOM 0 H PHE A 96 -2.266 -6.064 4.647 1.00 43.20 H new ATOM 0 HA PHE A 96 -4.897 -5.414 5.854 1.00 0.23 H new ATOM 0 HB2 PHE A 96 -3.419 -7.221 6.927 1.00 11.12 H new ATOM 0 HB3 PHE A 96 -2.214 -5.974 7.178 1.00 11.12 H new ATOM 0 HD1 PHE A 96 -5.923 -6.415 7.714 1.00 41.40 H new ATOM 0 HD2 PHE A 96 -2.174 -5.006 9.294 1.00 44.23 H new ATOM 0 HE1 PHE A 96 -7.087 -5.582 9.744 1.00 21.22 H new ATOM 0 HE2 PHE A 96 -3.334 -4.200 11.339 1.00 4.14 H new ATOM 0 HZ PHE A 96 -5.798 -4.462 11.549 1.00 63.11 H new ATOM 1362 N ILE A 97 -3.986 -3.164 6.738 1.00 74.34 N ATOM 1363 CA ILE A 97 -3.705 -1.758 6.927 1.00 22.31 C ATOM 1364 C ILE A 97 -4.038 -1.413 8.377 1.00 35.14 C ATOM 1365 O ILE A 97 -5.045 -1.895 8.895 1.00 71.43 O ATOM 1366 CB ILE A 97 -4.559 -0.915 5.945 1.00 14.22 C ATOM 1367 CG1 ILE A 97 -6.014 -1.420 5.802 1.00 41.42 C ATOM 1368 CG2 ILE A 97 -3.920 -0.858 4.548 1.00 33.42 C ATOM 1369 CD1 ILE A 97 -6.820 -0.507 4.883 1.00 51.12 C ATOM 0 H ILE A 97 -4.713 -3.513 7.363 1.00 74.34 H new ATOM 0 HA ILE A 97 -2.657 -1.537 6.725 1.00 22.31 H new ATOM 0 HB ILE A 97 -4.590 0.082 6.385 1.00 14.22 H new ATOM 0 HG12 ILE A 97 -6.013 -2.435 5.404 1.00 41.42 H new ATOM 0 HG13 ILE A 97 -6.486 -1.463 6.783 1.00 41.42 H new ATOM 0 HG21 ILE A 97 -4.545 -0.259 3.886 1.00 33.42 H new ATOM 0 HG22 ILE A 97 -2.930 -0.407 4.619 1.00 33.42 H new ATOM 0 HG23 ILE A 97 -3.831 -1.868 4.147 1.00 33.42 H new ATOM 0 HD11 ILE A 97 -7.839 -0.884 4.799 1.00 51.12 H new ATOM 0 HD12 ILE A 97 -6.839 0.501 5.297 1.00 51.12 H new ATOM 0 HD13 ILE A 97 -6.359 -0.485 3.896 1.00 51.12 H new ATOM 1380 N PRO A 98 -3.271 -0.520 9.024 1.00 21.21 N ATOM 1381 CA PRO A 98 -3.584 -0.064 10.364 1.00 13.12 C ATOM 1382 C PRO A 98 -4.711 0.978 10.308 1.00 74.00 C ATOM 1383 O PRO A 98 -4.467 2.189 10.346 1.00 34.04 O ATOM 1384 CB PRO A 98 -2.268 0.475 10.920 1.00 11.43 C ATOM 1385 CG PRO A 98 -1.523 0.964 9.677 1.00 1.11 C ATOM 1386 CD PRO A 98 -1.977 -0.011 8.592 1.00 52.11 C ATOM 0 HA PRO A 98 -3.961 -0.850 11.018 1.00 13.12 H new ATOM 0 HB2 PRO A 98 -2.435 1.284 11.631 1.00 11.43 H new ATOM 0 HB3 PRO A 98 -1.708 -0.299 11.444 1.00 11.43 H new ATOM 0 HG2 PRO A 98 -1.785 1.993 9.429 1.00 1.11 H new ATOM 0 HG3 PRO A 98 -0.443 0.935 9.818 1.00 1.11 H new ATOM 0 HD2 PRO A 98 -2.057 0.489 7.627 1.00 52.11 H new ATOM 0 HD3 PRO A 98 -1.259 -0.822 8.472 1.00 52.11 H new ATOM 1391 N GLN A 99 -5.946 0.517 10.156 1.00 74.33 N ATOM 1392 CA GLN A 99 -7.167 1.305 10.316 1.00 74.44 C ATOM 1393 C GLN A 99 -7.675 1.130 11.755 1.00 32.13 C ATOM 1394 O GLN A 99 -7.086 0.379 12.539 1.00 44.40 O ATOM 1395 CB GLN A 99 -8.201 0.886 9.250 1.00 4.15 C ATOM 1396 CG GLN A 99 -7.793 1.307 7.825 1.00 34.35 C ATOM 1397 CD GLN A 99 -7.789 2.824 7.622 1.00 13.12 C ATOM 1398 OE1 GLN A 99 -8.832 3.462 7.545 1.00 42.33 O ATOM 1399 NE2 GLN A 99 -6.634 3.463 7.531 1.00 51.22 N ATOM 0 H GLN A 99 -6.135 -0.454 9.908 1.00 74.33 H new ATOM 0 HA GLN A 99 -6.977 2.367 10.159 1.00 74.44 H new ATOM 0 HB2 GLN A 99 -8.330 -0.196 9.281 1.00 4.15 H new ATOM 0 HB3 GLN A 99 -9.167 1.330 9.493 1.00 4.15 H new ATOM 0 HG2 GLN A 99 -6.799 0.915 7.608 1.00 34.35 H new ATOM 0 HG3 GLN A 99 -8.478 0.853 7.109 1.00 34.35 H new ATOM 0 HE21 GLN A 99 -5.758 2.944 7.593 1.00 51.22 H new ATOM 0 HE22 GLN A 99 -6.620 4.474 7.398 1.00 51.22 H new ATOM 1406 N GLY A 100 -8.728 1.845 12.135 1.00 75.33 N ATOM 1407 CA GLY A 100 -9.155 1.961 13.533 1.00 43.34 C ATOM 1408 C GLY A 100 -10.306 2.927 13.729 1.00 72.33 C ATOM 1409 O GLY A 100 -10.873 3.016 14.816 1.00 63.03 O ATOM 0 H GLY A 100 -9.315 2.365 11.482 1.00 75.33 H new ATOM 0 HA2 GLY A 100 -9.449 0.977 13.899 1.00 43.34 H new ATOM 0 HA3 GLY A 100 -8.309 2.287 14.138 1.00 43.34 H new ATOM 1413 N GLU A 101 -10.601 3.691 12.693 1.00 63.23 N ATOM 1414 CA GLU A 101 -11.585 4.737 12.628 1.00 21.03 C ATOM 1415 C GLU A 101 -12.301 4.498 11.298 1.00 21.23 C ATOM 1416 O GLU A 101 -12.104 5.217 10.316 1.00 12.54 O ATOM 1417 CB GLU A 101 -10.820 6.065 12.737 1.00 23.01 C ATOM 1418 CG GLU A 101 -11.794 7.196 13.037 1.00 24.44 C ATOM 1419 CD GLU A 101 -11.165 8.591 13.035 1.00 4.52 C ATOM 1420 OE1 GLU A 101 -10.055 8.804 12.503 1.00 43.50 O ATOM 1421 OE2 GLU A 101 -11.850 9.534 13.525 1.00 25.11 O ATOM 0 H GLU A 101 -10.113 3.580 11.805 1.00 63.23 H new ATOM 0 HA GLU A 101 -12.335 4.758 13.419 1.00 21.03 H new ATOM 0 HB2 GLU A 101 -10.070 6.000 13.525 1.00 23.01 H new ATOM 0 HB3 GLU A 101 -10.289 6.267 11.807 1.00 23.01 H new ATOM 0 HG2 GLU A 101 -12.597 7.172 12.300 1.00 24.44 H new ATOM 0 HG3 GLU A 101 -12.249 7.018 14.011 1.00 24.44 H new ATOM 1426 N ILE A 102 -12.974 3.353 11.199 1.00 24.33 N ATOM 1427 CA ILE A 102 -13.510 2.791 9.980 1.00 44.22 C ATOM 1428 C ILE A 102 -14.925 2.273 10.271 1.00 1.44 C ATOM 1429 O ILE A 102 -15.171 1.069 10.388 1.00 63.41 O ATOM 1430 CB ILE A 102 -12.492 1.786 9.389 1.00 60.14 C ATOM 1431 CG1 ILE A 102 -13.101 1.120 8.146 1.00 23.24 C ATOM 1432 CG2 ILE A 102 -11.976 0.755 10.416 1.00 55.31 C ATOM 1433 CD1 ILE A 102 -12.062 0.559 7.173 1.00 15.32 C ATOM 0 H ILE A 102 -13.165 2.769 12.014 1.00 24.33 H new ATOM 0 HA ILE A 102 -13.640 3.523 9.183 1.00 44.22 H new ATOM 0 HB ILE A 102 -11.603 2.344 9.095 1.00 60.14 H new ATOM 0 HG12 ILE A 102 -13.760 0.312 8.464 1.00 23.24 H new ATOM 0 HG13 ILE A 102 -13.720 1.848 7.622 1.00 23.24 H new ATOM 0 HG21 ILE A 102 -11.267 0.083 9.932 1.00 55.31 H new ATOM 0 HG22 ILE A 102 -11.482 1.275 11.237 1.00 55.31 H new ATOM 0 HG23 ILE A 102 -12.815 0.178 10.805 1.00 55.31 H new ATOM 0 HD11 ILE A 102 -12.569 0.105 6.321 1.00 15.32 H new ATOM 0 HD12 ILE A 102 -11.418 1.366 6.824 1.00 15.32 H new ATOM 0 HD13 ILE A 102 -11.458 -0.194 7.680 1.00 15.32 H new ATOM 1444 N ASP A 103 -15.840 3.240 10.321 1.00 34.21 N ATOM 1445 CA ASP A 103 -17.262 3.093 10.611 1.00 21.14 C ATOM 1446 C ASP A 103 -17.496 2.395 11.946 1.00 63.44 C ATOM 1447 O ASP A 103 -16.769 2.763 12.892 1.00 60.22 O ATOM 1448 CB ASP A 103 -17.969 2.451 9.408 1.00 4.54 C ATOM 1449 CG ASP A 103 -19.480 2.629 9.381 1.00 33.22 C ATOM 1450 OD1 ASP A 103 -19.994 3.708 9.770 1.00 43.12 O ATOM 1451 OD2 ASP A 103 -20.132 1.768 8.738 1.00 52.13 O ATOM 0 H ASP A 103 -15.588 4.213 10.148 1.00 34.21 H new ATOM 0 HA ASP A 103 -17.719 4.073 10.746 1.00 21.14 H new ATOM 0 HB2 ASP A 103 -17.552 2.872 8.493 1.00 4.54 H new ATOM 0 HB3 ASP A 103 -17.743 1.385 9.400 1.00 4.54 H new TER 1455 ASP A 103