USER MOD reduce.3.24.130724 H: found=0, std=0, add=1230, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1230 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 93 ASN : amide:sc= 1.81 K(o=3.5,f=-1.1) USER MOD Set 1.2: A 94 SER OG : rot -56:sc= 1.79 USER MOD Set 1.3: A 117 HIS : no HD1:sc= -0.0691 X(o=3.5,f=3.6) USER MOD Set 2.1: A 33 ASN : amide:sc= -2.84! K(o=-8.1!,f=-5.1) USER MOD Set 2.2: A 39 LYS NZ :NH3+ -140:sc= 0.769 (180deg=0) USER MOD Set 2.3: A 84 ASN : amide:sc= -6.03! C(o=-8.1!,f=-5.9!) USER MOD Single : A 1 ASN : amide:sc= -2.71 K(o=-2.7,f=-4.2!) USER MOD Single : A 1 ASN N :NH3+ 179:sc= 0.0845 (180deg=0.0299) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HE2:sc= -8.12! C(o=-8.1!,f=-12!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -122:sc= -0.0701 (180deg=-0.16) USER MOD Single : A 17 LYS NZ :NH3+ -135:sc= 0.957 (180deg=0.103) USER MOD Single : A 18 THR OG1 : rot -86:sc= 1.25 USER MOD Single : A 21 LYS NZ :NH3+ -115:sc= 1.17 (180deg=-0.391) USER MOD Single : A 22 THR OG1 : rot 71:sc= 0.87 USER MOD Single : A 34 ASN : amide:sc= -0.194 K(o=-0.19,f=-4.1!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00532 USER MOD Single : A 38 THR OG1 : rot 30:sc= 0.763 USER MOD Single : A 48 LYS NZ :NH3+ 153:sc= 1.19 (180deg=0.621) USER MOD Single : A 49 LYS NZ :NH3+ -127:sc= 1.19 (180deg=0.815) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -6.4! K(o=-6.4!,f=-1.6) USER MOD Single : A 63 HIS : no HD1:sc= -2.22! C(o=-2.2!,f=-5!) USER MOD Single : A 64 THR OG1 : rot -79:sc= -1.78! USER MOD Single : A 70 LYS NZ :NH3+ -133:sc= 0.709 (180deg=-0.292) USER MOD Single : A 76 THR OG1 : rot -89:sc= 1.24 USER MOD Single : A 95 SER OG : rot -88:sc= 0.807 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -5.5! K(o=-5.5!,f=-1.1) USER MOD Single : A 107 LYS NZ :NH3+ 163:sc= -0.0343 (180deg=-0.286) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -11:sc= 0.801 USER MOD Single : A 115 HIS : no HD1:sc= -4.98! C(o=-5!,f=-9.8!) USER MOD Single : A 116 THR OG1 : rot 171:sc= -2.59! USER MOD Single : A 121 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 124 LYS NZ :NH3+ 162:sc= -0.0467 (180deg=-0.345) USER MOD Single : A 125 HIS : no HE2:sc= -0.56 K(o=-0.56,f=-4.1!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.854 K(o=-0.85,f=-1.6!) USER MOD Single : A 133 MET CE :methyl -114:sc= -4.73! (180deg=-6.99!) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 98:sc= 1.25 USER MOD Single : A 142 GLN : amide:sc=-0.00394 X(o=-0.0039,f=-0.089) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 145 GLN : amide:sc= -0.369 K(o=-0.37,f=-3.7!) USER MOD Single : A 147 LYS NZ :NH3+ 160:sc= 1.74 (180deg=0.959) USER MOD Single : A 154 LYS NZ :NH3+ -158:sc= 0.541 (180deg=-1.17) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 6.434 12.438 -8.014 1.00 1.65 N ATOM 2 CA ASN A 1 6.394 13.047 -6.669 1.00 1.32 C ATOM 3 C ASN A 1 7.476 12.444 -5.766 1.00 1.24 C ATOM 4 O ASN A 1 7.734 11.244 -5.826 1.00 1.61 O ATOM 5 CB ASN A 1 4.989 12.886 -6.050 1.00 1.23 C ATOM 6 CG ASN A 1 4.430 11.470 -6.121 1.00 1.26 C ATOM 7 OD1 ASN A 1 5.168 10.496 -6.237 1.00 1.66 O ATOM 8 ND2 ASN A 1 3.110 11.347 -6.045 1.00 1.42 N ATOM 0 H1 ASN A 1 5.682 12.849 -8.604 1.00 1.65 H new ATOM 0 H2 ASN A 1 7.359 12.625 -8.452 1.00 1.65 H new ATOM 0 H3 ASN A 1 6.289 11.411 -7.935 1.00 1.65 H new ATOM 0 HA ASN A 1 6.602 14.113 -6.762 1.00 1.32 H new ATOM 0 HB2 ASN A 1 5.027 13.197 -5.006 1.00 1.23 H new ATOM 0 HB3 ASN A 1 4.301 13.561 -6.559 1.00 1.23 H new ATOM 0 HD21 ASN A 1 2.681 10.422 -6.083 1.00 1.42 H new ATOM 0 HD22 ASN A 1 2.525 12.177 -5.949 1.00 1.42 H new ATOM 17 N TYR A 2 8.145 13.294 -4.970 1.00 1.16 N ATOM 18 CA TYR A 2 9.158 12.834 -4.002 1.00 1.12 C ATOM 19 C TYR A 2 9.631 13.957 -3.078 1.00 1.22 C ATOM 20 O TYR A 2 9.623 13.798 -1.860 1.00 1.20 O ATOM 21 CB TYR A 2 10.375 12.169 -4.678 1.00 1.31 C ATOM 22 CG TYR A 2 10.754 12.699 -6.049 1.00 1.67 C ATOM 23 CD1 TYR A 2 11.185 14.010 -6.190 1.00 2.21 C ATOM 24 CD2 TYR A 2 10.670 11.911 -7.190 1.00 1.84 C ATOM 25 CE1 TYR A 2 11.525 14.521 -7.423 1.00 2.90 C ATOM 26 CE2 TYR A 2 11.011 12.416 -8.431 1.00 2.43 C ATOM 27 CZ TYR A 2 11.457 13.615 -8.575 1.00 2.97 C ATOM 28 OH TYR A 2 11.776 14.233 -9.769 1.00 3.73 O ATOM 0 H TYR A 2 8.004 14.304 -4.977 1.00 1.16 H new ATOM 0 HA TYR A 2 8.653 12.079 -3.400 1.00 1.12 H new ATOM 0 HB2 TYR A 2 11.236 12.279 -4.018 1.00 1.31 H new ATOM 0 HB3 TYR A 2 10.176 11.101 -4.767 1.00 1.31 H new ATOM 0 HD1 TYR A 2 11.255 14.642 -5.317 1.00 2.21 H new ATOM 0 HD2 TYR A 2 10.333 10.888 -7.106 1.00 1.84 H new ATOM 0 HE1 TYR A 2 11.830 15.551 -7.538 1.00 2.90 H new ATOM 0 HE2 TYR A 2 10.900 11.788 -9.303 1.00 2.43 H new ATOM 0 HH TYR A 2 11.715 13.583 -10.500 1.00 3.73 H new ATOM 38 N ASP A 3 10.038 15.087 -3.652 1.00 1.44 N ATOM 39 CA ASP A 3 10.609 16.180 -2.856 1.00 1.65 C ATOM 40 C ASP A 3 9.572 16.813 -1.920 1.00 1.53 C ATOM 41 O ASP A 3 9.741 16.772 -0.704 1.00 1.62 O ATOM 42 CB ASP A 3 11.262 17.243 -3.756 1.00 1.99 C ATOM 43 CG ASP A 3 11.709 18.476 -2.980 1.00 2.44 C ATOM 44 OD1 ASP A 3 12.439 18.327 -1.978 1.00 2.78 O ATOM 45 OD2 ASP A 3 11.352 19.602 -3.388 1.00 2.63 O ATOM 0 H ASP A 3 9.986 15.273 -4.654 1.00 1.44 H new ATOM 0 HA ASP A 3 11.386 15.744 -2.229 1.00 1.65 H new ATOM 0 HB2 ASP A 3 12.122 16.806 -4.262 1.00 1.99 H new ATOM 0 HB3 ASP A 3 10.555 17.542 -4.530 1.00 1.99 H new ATOM 50 N PRO A 4 8.482 17.409 -2.444 1.00 1.46 N ATOM 51 CA PRO A 4 7.457 17.995 -1.586 1.00 1.45 C ATOM 52 C PRO A 4 6.595 16.930 -0.911 1.00 1.27 C ATOM 53 O PRO A 4 6.513 16.859 0.316 1.00 1.34 O ATOM 54 CB PRO A 4 6.625 18.845 -2.546 1.00 1.61 C ATOM 55 CG PRO A 4 6.800 18.207 -3.881 1.00 1.63 C ATOM 56 CD PRO A 4 8.167 17.578 -3.877 1.00 1.52 C ATOM 0 HA PRO A 4 7.888 18.570 -0.766 1.00 1.45 H new ATOM 0 HB2 PRO A 4 5.576 18.860 -2.251 1.00 1.61 H new ATOM 0 HB3 PRO A 4 6.968 19.879 -2.555 1.00 1.61 H new ATOM 0 HG2 PRO A 4 6.028 17.457 -4.057 1.00 1.63 H new ATOM 0 HG3 PRO A 4 6.715 18.945 -4.678 1.00 1.63 H new ATOM 0 HD2 PRO A 4 8.167 16.622 -4.401 1.00 1.52 H new ATOM 0 HD3 PRO A 4 8.900 18.214 -4.374 1.00 1.52 H new ATOM 64 N PHE A 5 5.948 16.111 -1.721 1.00 1.17 N ATOM 65 CA PHE A 5 5.086 15.061 -1.221 1.00 1.11 C ATOM 66 C PHE A 5 4.980 13.940 -2.240 1.00 0.94 C ATOM 67 O PHE A 5 4.998 14.192 -3.441 1.00 1.01 O ATOM 68 CB PHE A 5 3.688 15.623 -0.911 1.00 1.40 C ATOM 69 CG PHE A 5 3.037 16.301 -2.090 1.00 1.63 C ATOM 70 CD1 PHE A 5 3.230 17.653 -2.323 1.00 1.75 C ATOM 71 CD2 PHE A 5 2.222 15.587 -2.954 1.00 2.34 C ATOM 72 CE1 PHE A 5 2.620 18.279 -3.391 1.00 2.39 C ATOM 73 CE2 PHE A 5 1.612 16.208 -4.026 1.00 3.21 C ATOM 74 CZ PHE A 5 1.863 17.546 -4.279 1.00 3.19 C ATOM 0 H PHE A 5 6.006 16.156 -2.738 1.00 1.17 H new ATOM 0 HA PHE A 5 5.518 14.664 -0.302 1.00 1.11 H new ATOM 0 HB2 PHE A 5 3.046 14.811 -0.569 1.00 1.40 H new ATOM 0 HB3 PHE A 5 3.765 16.335 -0.090 1.00 1.40 H new ATOM 0 HD1 PHE A 5 3.865 18.223 -1.661 1.00 1.75 H new ATOM 0 HD2 PHE A 5 2.062 14.532 -2.787 1.00 2.34 H new ATOM 0 HE1 PHE A 5 2.736 19.344 -3.531 1.00 2.39 H new ATOM 0 HE2 PHE A 5 0.942 15.652 -4.665 1.00 3.21 H new ATOM 0 HZ PHE A 5 1.467 18.013 -5.169 1.00 3.19 H new ATOM 84 N VAL A 6 4.913 12.710 -1.765 1.00 0.85 N ATOM 85 CA VAL A 6 4.486 11.600 -2.600 1.00 0.79 C ATOM 86 C VAL A 6 3.062 11.244 -2.220 1.00 0.69 C ATOM 87 O VAL A 6 2.823 10.605 -1.196 1.00 0.77 O ATOM 88 CB VAL A 6 5.381 10.356 -2.448 1.00 0.92 C ATOM 89 CG1 VAL A 6 4.844 9.201 -3.282 1.00 1.44 C ATOM 90 CG2 VAL A 6 6.816 10.675 -2.825 1.00 1.41 C ATOM 0 H VAL A 6 5.148 12.453 -0.806 1.00 0.85 H new ATOM 0 HA VAL A 6 4.558 11.914 -3.641 1.00 0.79 H new ATOM 0 HB VAL A 6 5.367 10.053 -1.401 1.00 0.92 H new ATOM 0 HG11 VAL A 6 5.491 8.332 -3.160 1.00 1.44 H new ATOM 0 HG12 VAL A 6 3.836 8.952 -2.952 1.00 1.44 H new ATOM 0 HG13 VAL A 6 4.820 9.491 -4.332 1.00 1.44 H new ATOM 0 HG21 VAL A 6 7.430 9.782 -2.710 1.00 1.41 H new ATOM 0 HG22 VAL A 6 6.854 11.010 -3.861 1.00 1.41 H new ATOM 0 HG23 VAL A 6 7.197 11.463 -2.175 1.00 1.41 H new ATOM 100 N ARG A 7 2.119 11.688 -3.022 1.00 0.64 N ATOM 101 CA ARG A 7 0.723 11.580 -2.659 1.00 0.56 C ATOM 102 C ARG A 7 0.043 10.418 -3.360 1.00 0.54 C ATOM 103 O ARG A 7 0.221 10.198 -4.560 1.00 0.64 O ATOM 104 CB ARG A 7 -0.009 12.878 -2.992 1.00 0.57 C ATOM 105 CG ARG A 7 -1.484 12.856 -2.625 1.00 0.57 C ATOM 106 CD ARG A 7 -2.192 14.111 -3.100 1.00 0.71 C ATOM 107 NE ARG A 7 -2.146 14.247 -4.556 1.00 1.61 N ATOM 108 CZ ARG A 7 -2.640 15.286 -5.223 1.00 2.25 C ATOM 109 NH1 ARG A 7 -3.224 16.286 -4.572 1.00 2.26 N ATOM 110 NH2 ARG A 7 -2.552 15.318 -6.547 1.00 3.37 N ATOM 0 H ARG A 7 2.292 12.126 -3.927 1.00 0.64 H new ATOM 0 HA ARG A 7 0.679 11.396 -1.585 1.00 0.56 H new ATOM 0 HB2 ARG A 7 0.475 13.703 -2.469 1.00 0.57 H new ATOM 0 HB3 ARG A 7 0.088 13.077 -4.059 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -1.958 11.980 -3.068 1.00 0.57 H new ATOM 0 HG3 ARG A 7 -1.590 12.764 -1.544 1.00 0.57 H new ATOM 0 HD2 ARG A 7 -3.231 14.088 -2.770 1.00 0.71 H new ATOM 0 HD3 ARG A 7 -1.730 14.984 -2.639 1.00 0.71 H new ATOM 0 HE ARG A 7 -1.708 13.498 -5.093 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -3.295 16.260 -3.555 1.00 2.26 H new ATOM 0 HH12 ARG A 7 -3.601 17.080 -5.089 1.00 2.26 H new ATOM 0 HH21 ARG A 7 -2.107 14.548 -7.047 1.00 3.37 H new ATOM 0 HH22 ARG A 7 -2.929 16.112 -7.064 1.00 3.37 H new ATOM 124 N HIS A 8 -0.728 9.667 -2.595 1.00 0.47 N ATOM 125 CA HIS A 8 -1.640 8.693 -3.163 1.00 0.46 C ATOM 126 C HIS A 8 -3.054 9.185 -2.956 1.00 0.39 C ATOM 127 O HIS A 8 -3.430 9.574 -1.856 1.00 0.39 O ATOM 128 CB HIS A 8 -1.409 7.298 -2.536 1.00 0.56 C ATOM 129 CG HIS A 8 -2.614 6.397 -2.383 1.00 0.45 C ATOM 130 ND1 HIS A 8 -2.779 5.551 -1.300 1.00 0.46 N ATOM 131 CD2 HIS A 8 -3.680 6.169 -3.187 1.00 0.79 C ATOM 132 CE1 HIS A 8 -3.887 4.851 -1.449 1.00 0.41 C ATOM 133 NE2 HIS A 8 -4.452 5.205 -2.584 1.00 0.76 N ATOM 0 H HIS A 8 -0.740 9.714 -1.576 1.00 0.47 H new ATOM 0 HA HIS A 8 -1.460 8.584 -4.232 1.00 0.46 H new ATOM 0 HB2 HIS A 8 -0.671 6.774 -3.143 1.00 0.56 H new ATOM 0 HB3 HIS A 8 -0.967 7.441 -1.550 1.00 0.56 H new ATOM 0 HD1 HIS A 8 -2.141 5.480 -0.507 1.00 0.46 H new ATOM 0 HD2 HIS A 8 -3.886 6.655 -4.129 1.00 0.79 H new ATOM 0 HE1 HIS A 8 -4.266 4.113 -0.758 1.00 0.41 H new ATOM 142 N SER A 9 -3.827 9.146 -4.013 1.00 0.42 N ATOM 143 CA SER A 9 -5.202 9.562 -3.955 1.00 0.40 C ATOM 144 C SER A 9 -6.083 8.571 -4.685 1.00 0.41 C ATOM 145 O SER A 9 -6.026 8.435 -5.905 1.00 0.53 O ATOM 146 CB SER A 9 -5.348 10.957 -4.553 1.00 0.52 C ATOM 147 OG SER A 9 -4.545 11.893 -3.856 1.00 1.28 O ATOM 0 H SER A 9 -3.521 8.826 -4.932 1.00 0.42 H new ATOM 0 HA SER A 9 -5.519 9.595 -2.913 1.00 0.40 H new ATOM 0 HB2 SER A 9 -5.061 10.938 -5.604 1.00 0.52 H new ATOM 0 HB3 SER A 9 -6.392 11.267 -4.513 1.00 0.52 H new ATOM 0 HG SER A 9 -4.653 12.780 -4.258 1.00 1.28 H new ATOM 153 N VAL A 10 -6.872 7.861 -3.912 1.00 0.35 N ATOM 154 CA VAL A 10 -7.803 6.879 -4.451 1.00 0.36 C ATOM 155 C VAL A 10 -9.236 7.207 -4.051 1.00 0.32 C ATOM 156 O VAL A 10 -9.498 7.557 -2.901 1.00 0.32 O ATOM 157 CB VAL A 10 -7.427 5.453 -3.971 1.00 0.45 C ATOM 158 CG1 VAL A 10 -8.656 4.601 -3.690 1.00 1.27 C ATOM 159 CG2 VAL A 10 -6.532 4.772 -4.993 1.00 1.18 C ATOM 0 H VAL A 10 -6.892 7.942 -2.895 1.00 0.35 H new ATOM 0 HA VAL A 10 -7.735 6.914 -5.538 1.00 0.36 H new ATOM 0 HB VAL A 10 -6.884 5.557 -3.032 1.00 0.45 H new ATOM 0 HG11 VAL A 10 -8.344 3.611 -3.357 1.00 1.27 H new ATOM 0 HG12 VAL A 10 -9.256 5.073 -2.912 1.00 1.27 H new ATOM 0 HG13 VAL A 10 -9.249 4.507 -4.599 1.00 1.27 H new ATOM 0 HG21 VAL A 10 -6.276 3.772 -4.643 1.00 1.18 H new ATOM 0 HG22 VAL A 10 -7.057 4.700 -5.946 1.00 1.18 H new ATOM 0 HG23 VAL A 10 -5.620 5.355 -5.124 1.00 1.18 H new ATOM 169 N THR A 11 -10.150 7.109 -5.005 1.00 0.35 N ATOM 170 CA THR A 11 -11.561 7.289 -4.719 1.00 0.34 C ATOM 171 C THR A 11 -12.241 5.924 -4.621 1.00 0.33 C ATOM 172 O THR A 11 -12.304 5.167 -5.592 1.00 0.43 O ATOM 173 CB THR A 11 -12.247 8.140 -5.808 1.00 0.46 C ATOM 174 OG1 THR A 11 -11.508 9.353 -6.016 1.00 0.57 O ATOM 175 CG2 THR A 11 -13.677 8.478 -5.410 1.00 0.51 C ATOM 0 H THR A 11 -9.938 6.906 -5.982 1.00 0.35 H new ATOM 0 HA THR A 11 -11.655 7.816 -3.770 1.00 0.34 H new ATOM 0 HB THR A 11 -12.270 7.561 -6.731 1.00 0.46 H new ATOM 0 HG1 THR A 11 -11.947 9.889 -6.709 1.00 0.57 H new ATOM 0 HG21 THR A 11 -14.140 9.078 -6.193 1.00 0.51 H new ATOM 0 HG22 THR A 11 -14.244 7.557 -5.275 1.00 0.51 H new ATOM 0 HG23 THR A 11 -13.672 9.041 -4.477 1.00 0.51 H new ATOM 183 N VAL A 12 -12.737 5.616 -3.438 1.00 0.29 N ATOM 184 CA VAL A 12 -13.348 4.330 -3.166 1.00 0.35 C ATOM 185 C VAL A 12 -14.855 4.379 -3.377 1.00 0.32 C ATOM 186 O VAL A 12 -15.545 5.242 -2.832 1.00 0.36 O ATOM 187 CB VAL A 12 -13.001 3.873 -1.736 1.00 0.43 C ATOM 188 CG1 VAL A 12 -13.861 2.701 -1.300 1.00 0.91 C ATOM 189 CG2 VAL A 12 -11.522 3.520 -1.660 1.00 0.81 C ATOM 0 H VAL A 12 -12.728 6.250 -2.639 1.00 0.29 H new ATOM 0 HA VAL A 12 -12.947 3.601 -3.870 1.00 0.35 H new ATOM 0 HB VAL A 12 -13.209 4.694 -1.050 1.00 0.43 H new ATOM 0 HG11 VAL A 12 -13.588 2.406 -0.287 1.00 0.91 H new ATOM 0 HG12 VAL A 12 -14.911 2.992 -1.323 1.00 0.91 H new ATOM 0 HG13 VAL A 12 -13.702 1.862 -1.977 1.00 0.91 H new ATOM 0 HG21 VAL A 12 -11.277 3.197 -0.648 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -11.304 2.715 -2.361 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -10.925 4.396 -1.916 1.00 0.81 H new ATOM 199 N LYS A 13 -15.344 3.440 -4.180 1.00 0.34 N ATOM 200 CA LYS A 13 -16.733 3.415 -4.620 1.00 0.38 C ATOM 201 C LYS A 13 -17.662 2.687 -3.641 1.00 0.31 C ATOM 202 O LYS A 13 -18.804 2.391 -3.992 1.00 0.37 O ATOM 203 CB LYS A 13 -16.831 2.707 -5.984 1.00 0.58 C ATOM 204 CG LYS A 13 -15.894 3.241 -7.062 1.00 0.68 C ATOM 205 CD LYS A 13 -14.514 2.608 -7.006 1.00 0.97 C ATOM 206 CE LYS A 13 -13.607 3.154 -8.102 1.00 0.88 C ATOM 207 NZ LYS A 13 -14.096 2.821 -9.470 1.00 0.98 N ATOM 0 H LYS A 13 -14.784 2.670 -4.546 1.00 0.34 H new ATOM 0 HA LYS A 13 -17.055 4.455 -4.682 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -16.626 1.646 -5.840 1.00 0.58 H new ATOM 0 HB3 LYS A 13 -17.857 2.788 -6.344 1.00 0.58 H new ATOM 0 HG2 LYS A 13 -16.333 3.058 -8.043 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -15.798 4.321 -6.952 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -14.064 2.798 -6.031 1.00 0.97 H new ATOM 0 HD3 LYS A 13 -14.603 1.527 -7.111 1.00 0.97 H new ATOM 0 HE2 LYS A 13 -13.532 4.237 -8.001 1.00 0.88 H new ATOM 0 HE3 LYS A 13 -12.603 2.751 -7.971 1.00 0.88 H new ATOM 0 HZ1 LYS A 13 -13.363 2.289 -9.981 1.00 0.98 H new ATOM 0 HZ2 LYS A 13 -14.958 2.243 -9.400 1.00 0.98 H new ATOM 0 HZ3 LYS A 13 -14.309 3.699 -9.986 1.00 0.98 H new ATOM 221 N ALA A 14 -17.208 2.398 -2.428 1.00 0.29 N ATOM 222 CA ALA A 14 -18.010 1.577 -1.524 1.00 0.30 C ATOM 223 C ALA A 14 -17.651 1.802 -0.059 1.00 0.28 C ATOM 224 O ALA A 14 -17.597 0.849 0.723 1.00 0.31 O ATOM 225 CB ALA A 14 -17.856 0.104 -1.887 1.00 0.36 C ATOM 0 H ALA A 14 -16.312 2.709 -2.052 1.00 0.29 H new ATOM 0 HA ALA A 14 -19.050 1.878 -1.646 1.00 0.30 H new ATOM 0 HB1 ALA A 14 -18.457 -0.503 -1.209 1.00 0.36 H new ATOM 0 HB2 ALA A 14 -18.193 -0.055 -2.911 1.00 0.36 H new ATOM 0 HB3 ALA A 14 -16.808 -0.184 -1.800 1.00 0.36 H new ATOM 231 N ASP A 15 -17.434 3.060 0.307 1.00 0.28 N ATOM 232 CA ASP A 15 -17.229 3.449 1.710 1.00 0.31 C ATOM 233 C ASP A 15 -15.854 3.038 2.272 1.00 0.28 C ATOM 234 O ASP A 15 -15.153 2.173 1.734 1.00 0.29 O ATOM 235 CB ASP A 15 -18.379 2.899 2.575 1.00 0.39 C ATOM 236 CG ASP A 15 -18.144 3.031 4.066 1.00 0.61 C ATOM 237 OD1 ASP A 15 -17.696 2.048 4.686 1.00 0.91 O ATOM 238 OD2 ASP A 15 -18.409 4.110 4.626 1.00 0.76 O ATOM 0 H ASP A 15 -17.394 3.839 -0.350 1.00 0.28 H new ATOM 0 HA ASP A 15 -17.237 4.538 1.744 1.00 0.31 H new ATOM 0 HB2 ASP A 15 -19.299 3.423 2.314 1.00 0.39 H new ATOM 0 HB3 ASP A 15 -18.531 1.847 2.333 1.00 0.39 H new ATOM 243 N ARG A 16 -15.498 3.688 3.373 1.00 0.28 N ATOM 244 CA ARG A 16 -14.183 3.581 3.997 1.00 0.27 C ATOM 245 C ARG A 16 -13.890 2.170 4.499 1.00 0.28 C ATOM 246 O ARG A 16 -12.729 1.759 4.561 1.00 0.28 O ATOM 247 CB ARG A 16 -14.120 4.578 5.157 1.00 0.29 C ATOM 248 CG ARG A 16 -12.738 4.848 5.711 1.00 0.28 C ATOM 249 CD ARG A 16 -12.677 6.224 6.365 1.00 0.40 C ATOM 250 NE ARG A 16 -13.990 6.704 6.816 1.00 0.93 N ATOM 251 CZ ARG A 16 -14.614 6.340 7.941 1.00 1.32 C ATOM 252 NH1 ARG A 16 -14.074 5.464 8.771 1.00 1.37 N ATOM 253 NH2 ARG A 16 -15.797 6.871 8.231 1.00 1.88 N ATOM 0 H ARG A 16 -16.129 4.318 3.869 1.00 0.28 H new ATOM 0 HA ARG A 16 -13.424 3.808 3.248 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -14.550 5.523 4.825 1.00 0.29 H new ATOM 0 HB3 ARG A 16 -14.750 4.208 5.966 1.00 0.29 H new ATOM 0 HG2 ARG A 16 -12.478 4.081 6.441 1.00 0.28 H new ATOM 0 HG3 ARG A 16 -12.002 4.788 4.909 1.00 0.28 H new ATOM 0 HD2 ARG A 16 -11.998 6.185 7.217 1.00 0.40 H new ATOM 0 HD3 ARG A 16 -12.259 6.939 5.656 1.00 0.40 H new ATOM 0 HE ARG A 16 -14.469 7.376 6.217 1.00 0.93 H new ATOM 0 HH11 ARG A 16 -13.165 5.053 8.558 1.00 1.37 H new ATOM 0 HH12 ARG A 16 -14.566 5.199 9.624 1.00 1.37 H new ATOM 0 HH21 ARG A 16 -16.221 7.549 7.598 1.00 1.88 H new ATOM 0 HH22 ARG A 16 -16.282 6.600 9.087 1.00 1.88 H new ATOM 267 N LYS A 17 -14.933 1.427 4.850 1.00 0.33 N ATOM 268 CA LYS A 17 -14.750 0.089 5.394 1.00 0.39 C ATOM 269 C LYS A 17 -14.178 -0.852 4.339 1.00 0.35 C ATOM 270 O LYS A 17 -13.290 -1.648 4.640 1.00 0.37 O ATOM 271 CB LYS A 17 -16.062 -0.462 5.954 1.00 0.53 C ATOM 272 CG LYS A 17 -16.696 0.442 6.997 1.00 1.34 C ATOM 273 CD LYS A 17 -17.999 -0.133 7.525 1.00 1.70 C ATOM 274 CE LYS A 17 -18.939 0.970 7.980 1.00 2.46 C ATOM 275 NZ LYS A 17 -19.429 1.785 6.834 1.00 3.05 N ATOM 0 H LYS A 17 -15.905 1.725 4.768 1.00 0.33 H new ATOM 0 HA LYS A 17 -14.036 0.157 6.215 1.00 0.39 H new ATOM 0 HB2 LYS A 17 -16.766 -0.609 5.135 1.00 0.53 H new ATOM 0 HB3 LYS A 17 -15.878 -1.441 6.396 1.00 0.53 H new ATOM 0 HG2 LYS A 17 -16.001 0.586 7.824 1.00 1.34 H new ATOM 0 HG3 LYS A 17 -16.882 1.424 6.562 1.00 1.34 H new ATOM 0 HD2 LYS A 17 -18.480 -0.727 6.747 1.00 1.70 H new ATOM 0 HD3 LYS A 17 -17.792 -0.805 8.358 1.00 1.70 H new ATOM 0 HE2 LYS A 17 -19.788 0.531 8.504 1.00 2.46 H new ATOM 0 HE3 LYS A 17 -18.425 1.616 8.692 1.00 2.46 H new ATOM 0 HZ1 LYS A 17 -19.375 2.795 7.078 1.00 3.05 H new ATOM 0 HZ2 LYS A 17 -18.839 1.598 5.998 1.00 3.05 H new ATOM 0 HZ3 LYS A 17 -20.416 1.532 6.625 1.00 3.05 H new ATOM 289 N THR A 18 -14.662 -0.746 3.101 1.00 0.35 N ATOM 290 CA THR A 18 -14.130 -1.567 2.015 1.00 0.36 C ATOM 291 C THR A 18 -12.752 -1.076 1.609 1.00 0.33 C ATOM 292 O THR A 18 -11.884 -1.872 1.248 1.00 0.37 O ATOM 293 CB THR A 18 -15.031 -1.574 0.764 1.00 0.41 C ATOM 294 OG1 THR A 18 -15.234 -0.240 0.296 1.00 1.11 O ATOM 295 CG2 THR A 18 -16.368 -2.230 1.055 1.00 0.80 C ATOM 0 H THR A 18 -15.411 -0.109 2.828 1.00 0.35 H new ATOM 0 HA THR A 18 -14.083 -2.584 2.403 1.00 0.36 H new ATOM 0 HB THR A 18 -14.528 -2.154 -0.010 1.00 0.41 H new ATOM 0 HG1 THR A 18 -15.991 0.162 0.771 1.00 1.11 H new ATOM 0 HG21 THR A 18 -16.982 -2.220 0.154 1.00 0.80 H new ATOM 0 HG22 THR A 18 -16.206 -3.260 1.373 1.00 0.80 H new ATOM 0 HG23 THR A 18 -16.878 -1.682 1.847 1.00 0.80 H new ATOM 303 N ALA A 19 -12.555 0.240 1.675 1.00 0.29 N ATOM 304 CA ALA A 19 -11.261 0.833 1.365 1.00 0.29 C ATOM 305 C ALA A 19 -10.177 0.222 2.239 1.00 0.28 C ATOM 306 O ALA A 19 -9.162 -0.264 1.743 1.00 0.32 O ATOM 307 CB ALA A 19 -11.305 2.341 1.561 1.00 0.31 C ATOM 0 H ALA A 19 -13.275 0.912 1.940 1.00 0.29 H new ATOM 0 HA ALA A 19 -11.028 0.625 0.321 1.00 0.29 H new ATOM 0 HB1 ALA A 19 -10.330 2.767 1.325 1.00 0.31 H new ATOM 0 HB2 ALA A 19 -12.059 2.772 0.902 1.00 0.31 H new ATOM 0 HB3 ALA A 19 -11.558 2.566 2.597 1.00 0.31 H new ATOM 313 N PHE A 20 -10.419 0.217 3.542 1.00 0.25 N ATOM 314 CA PHE A 20 -9.480 -0.353 4.493 1.00 0.26 C ATOM 315 C PHE A 20 -9.431 -1.871 4.365 1.00 0.31 C ATOM 316 O PHE A 20 -8.357 -2.473 4.429 1.00 0.33 O ATOM 317 CB PHE A 20 -9.874 0.048 5.912 1.00 0.28 C ATOM 318 CG PHE A 20 -9.106 -0.662 6.991 1.00 0.30 C ATOM 319 CD1 PHE A 20 -7.839 -0.229 7.355 1.00 0.33 C ATOM 320 CD2 PHE A 20 -9.644 -1.764 7.632 1.00 0.34 C ATOM 321 CE1 PHE A 20 -7.126 -0.883 8.339 1.00 0.37 C ATOM 322 CE2 PHE A 20 -8.935 -2.421 8.617 1.00 0.38 C ATOM 323 CZ PHE A 20 -7.700 -1.968 8.998 1.00 0.38 C ATOM 0 H PHE A 20 -11.263 0.604 3.965 1.00 0.25 H new ATOM 0 HA PHE A 20 -8.485 0.036 4.275 1.00 0.26 H new ATOM 0 HB2 PHE A 20 -9.730 1.122 6.027 1.00 0.28 H new ATOM 0 HB3 PHE A 20 -10.937 -0.148 6.050 1.00 0.28 H new ATOM 0 HD1 PHE A 20 -7.406 0.629 6.863 1.00 0.33 H new ATOM 0 HD2 PHE A 20 -10.629 -2.113 7.359 1.00 0.34 H new ATOM 0 HE1 PHE A 20 -6.129 -0.556 8.597 1.00 0.37 H new ATOM 0 HE2 PHE A 20 -9.356 -3.296 9.089 1.00 0.38 H new ATOM 0 HZ PHE A 20 -7.172 -2.451 9.807 1.00 0.38 H new ATOM 333 N LYS A 21 -10.597 -2.483 4.175 1.00 0.35 N ATOM 334 CA LYS A 21 -10.687 -3.930 4.036 1.00 0.42 C ATOM 335 C LYS A 21 -9.786 -4.397 2.904 1.00 0.44 C ATOM 336 O LYS A 21 -9.003 -5.323 3.073 1.00 0.49 O ATOM 337 CB LYS A 21 -12.157 -4.360 3.813 1.00 0.49 C ATOM 338 CG LYS A 21 -12.457 -5.049 2.479 1.00 0.64 C ATOM 339 CD LYS A 21 -12.087 -6.527 2.489 1.00 1.24 C ATOM 340 CE LYS A 21 -12.163 -7.124 1.091 1.00 1.79 C ATOM 341 NZ LYS A 21 -11.810 -8.567 1.079 1.00 2.39 N ATOM 0 H LYS A 21 -11.492 -1.997 4.114 1.00 0.35 H new ATOM 0 HA LYS A 21 -10.344 -4.404 4.956 1.00 0.42 H new ATOM 0 HB2 LYS A 21 -12.445 -5.033 4.620 1.00 0.49 H new ATOM 0 HB3 LYS A 21 -12.790 -3.476 3.894 1.00 0.49 H new ATOM 0 HG2 LYS A 21 -13.518 -4.945 2.251 1.00 0.64 H new ATOM 0 HG3 LYS A 21 -11.909 -4.546 1.683 1.00 0.64 H new ATOM 0 HD2 LYS A 21 -11.079 -6.649 2.885 1.00 1.24 H new ATOM 0 HD3 LYS A 21 -12.759 -7.068 3.155 1.00 1.24 H new ATOM 0 HE2 LYS A 21 -13.171 -6.995 0.696 1.00 1.79 H new ATOM 0 HE3 LYS A 21 -11.489 -6.581 0.428 1.00 1.79 H new ATOM 0 HZ1 LYS A 21 -10.937 -8.706 0.531 1.00 2.39 H new ATOM 0 HZ2 LYS A 21 -11.663 -8.896 2.054 1.00 2.39 H new ATOM 0 HZ3 LYS A 21 -12.583 -9.110 0.643 1.00 2.39 H new ATOM 355 N THR A 22 -9.867 -3.721 1.771 1.00 0.43 N ATOM 356 CA THR A 22 -9.134 -4.131 0.591 1.00 0.48 C ATOM 357 C THR A 22 -7.663 -3.739 0.697 1.00 0.49 C ATOM 358 O THR A 22 -6.785 -4.556 0.441 1.00 0.68 O ATOM 359 CB THR A 22 -9.761 -3.511 -0.673 1.00 0.48 C ATOM 360 OG1 THR A 22 -11.179 -3.721 -0.652 1.00 0.48 O ATOM 361 CG2 THR A 22 -9.186 -4.125 -1.940 1.00 0.58 C ATOM 0 H THR A 22 -10.436 -2.883 1.646 1.00 0.43 H new ATOM 0 HA THR A 22 -9.193 -5.217 0.517 1.00 0.48 H new ATOM 0 HB THR A 22 -9.533 -2.445 -0.675 1.00 0.48 H new ATOM 0 HG1 THR A 22 -11.582 -3.162 0.045 1.00 0.48 H new ATOM 0 HG21 THR A 22 -9.651 -3.664 -2.811 1.00 0.58 H new ATOM 0 HG22 THR A 22 -8.110 -3.955 -1.971 1.00 0.58 H new ATOM 0 HG23 THR A 22 -9.384 -5.197 -1.947 1.00 0.58 H new ATOM 369 N PHE A 23 -7.403 -2.506 1.124 1.00 0.37 N ATOM 370 CA PHE A 23 -6.045 -1.966 1.154 1.00 0.38 C ATOM 371 C PHE A 23 -5.157 -2.719 2.145 1.00 0.38 C ATOM 372 O PHE A 23 -3.945 -2.805 1.955 1.00 0.43 O ATOM 373 CB PHE A 23 -6.080 -0.469 1.503 1.00 0.37 C ATOM 374 CG PHE A 23 -4.749 0.233 1.403 1.00 0.39 C ATOM 375 CD1 PHE A 23 -4.256 0.666 0.174 1.00 0.44 C ATOM 376 CD2 PHE A 23 -3.996 0.474 2.542 1.00 0.40 C ATOM 377 CE1 PHE A 23 -3.041 1.322 0.094 1.00 0.48 C ATOM 378 CE2 PHE A 23 -2.781 1.127 2.462 1.00 0.45 C ATOM 379 CZ PHE A 23 -2.303 1.552 1.238 1.00 0.48 C ATOM 0 H PHE A 23 -8.118 -1.859 1.456 1.00 0.37 H new ATOM 0 HA PHE A 23 -5.614 -2.096 0.161 1.00 0.38 H new ATOM 0 HB2 PHE A 23 -6.788 0.028 0.840 1.00 0.37 H new ATOM 0 HB3 PHE A 23 -6.460 -0.355 2.518 1.00 0.37 H new ATOM 0 HD1 PHE A 23 -4.828 0.488 -0.725 1.00 0.44 H new ATOM 0 HD2 PHE A 23 -4.364 0.147 3.504 1.00 0.40 H new ATOM 0 HE1 PHE A 23 -2.669 1.655 -0.864 1.00 0.48 H new ATOM 0 HE2 PHE A 23 -2.204 1.305 3.358 1.00 0.45 H new ATOM 0 HZ PHE A 23 -1.354 2.063 1.176 1.00 0.48 H new ATOM 389 N LEU A 24 -5.751 -3.269 3.197 1.00 0.35 N ATOM 390 CA LEU A 24 -4.959 -3.930 4.224 1.00 0.37 C ATOM 391 C LEU A 24 -5.255 -5.428 4.303 1.00 0.39 C ATOM 392 O LEU A 24 -4.353 -6.252 4.168 1.00 0.48 O ATOM 393 CB LEU A 24 -5.197 -3.270 5.587 1.00 0.40 C ATOM 394 CG LEU A 24 -4.139 -3.587 6.646 1.00 0.42 C ATOM 395 CD1 LEU A 24 -2.782 -3.093 6.191 1.00 0.50 C ATOM 396 CD2 LEU A 24 -4.494 -2.953 7.978 1.00 0.44 C ATOM 0 H LEU A 24 -6.758 -3.271 3.359 1.00 0.35 H new ATOM 0 HA LEU A 24 -3.911 -3.818 3.948 1.00 0.37 H new ATOM 0 HB2 LEU A 24 -5.241 -2.190 5.449 1.00 0.40 H new ATOM 0 HB3 LEU A 24 -6.171 -3.583 5.962 1.00 0.40 H new ATOM 0 HG LEU A 24 -4.106 -4.669 6.776 1.00 0.42 H new ATOM 0 HD11 LEU A 24 -2.037 -3.324 6.952 1.00 0.50 H new ATOM 0 HD12 LEU A 24 -2.511 -3.584 5.257 1.00 0.50 H new ATOM 0 HD13 LEU A 24 -2.820 -2.015 6.036 1.00 0.50 H new ATOM 0 HD21 LEU A 24 -3.725 -3.194 8.712 1.00 0.44 H new ATOM 0 HD22 LEU A 24 -4.557 -1.871 7.861 1.00 0.44 H new ATOM 0 HD23 LEU A 24 -5.455 -3.337 8.319 1.00 0.44 H new ATOM 408 N GLU A 25 -6.516 -5.787 4.503 1.00 0.40 N ATOM 409 CA GLU A 25 -6.871 -7.183 4.755 1.00 0.46 C ATOM 410 C GLU A 25 -7.201 -7.919 3.466 1.00 0.54 C ATOM 411 O GLU A 25 -7.454 -9.124 3.471 1.00 1.01 O ATOM 412 CB GLU A 25 -8.042 -7.260 5.730 1.00 0.51 C ATOM 413 CG GLU A 25 -7.685 -6.764 7.117 1.00 0.66 C ATOM 414 CD GLU A 25 -8.859 -6.765 8.065 1.00 0.91 C ATOM 415 OE1 GLU A 25 -9.460 -7.839 8.275 1.00 1.24 O ATOM 416 OE2 GLU A 25 -9.170 -5.694 8.624 1.00 1.18 O ATOM 0 H GLU A 25 -7.305 -5.141 4.497 1.00 0.40 H new ATOM 0 HA GLU A 25 -6.005 -7.673 5.200 1.00 0.46 H new ATOM 0 HB2 GLU A 25 -8.872 -6.671 5.341 1.00 0.51 H new ATOM 0 HB3 GLU A 25 -8.387 -8.292 5.796 1.00 0.51 H new ATOM 0 HG2 GLU A 25 -6.893 -7.390 7.528 1.00 0.66 H new ATOM 0 HG3 GLU A 25 -7.286 -5.752 7.043 1.00 0.66 H new ATOM 423 N GLY A 26 -7.186 -7.188 2.369 1.00 0.37 N ATOM 424 CA GLY A 26 -7.441 -7.773 1.073 1.00 0.45 C ATOM 425 C GLY A 26 -6.215 -7.692 0.202 1.00 0.48 C ATOM 426 O GLY A 26 -6.308 -7.703 -1.017 1.00 0.83 O ATOM 0 H GLY A 26 -6.999 -6.185 2.352 1.00 0.37 H new ATOM 0 HA2 GLY A 26 -7.741 -8.814 1.191 1.00 0.45 H new ATOM 0 HA3 GLY A 26 -8.270 -7.255 0.591 1.00 0.45 H new ATOM 430 N PHE A 27 -5.061 -7.627 0.849 1.00 0.42 N ATOM 431 CA PHE A 27 -3.793 -7.422 0.166 1.00 0.44 C ATOM 432 C PHE A 27 -3.576 -8.429 -0.978 1.00 0.47 C ATOM 433 O PHE A 27 -3.248 -8.029 -2.093 1.00 0.53 O ATOM 434 CB PHE A 27 -2.645 -7.490 1.184 1.00 0.48 C ATOM 435 CG PHE A 27 -1.333 -6.990 0.659 1.00 0.49 C ATOM 436 CD1 PHE A 27 -1.165 -5.649 0.364 1.00 0.57 C ATOM 437 CD2 PHE A 27 -0.273 -7.856 0.459 1.00 0.63 C ATOM 438 CE1 PHE A 27 0.038 -5.183 -0.129 1.00 0.65 C ATOM 439 CE2 PHE A 27 0.933 -7.393 -0.030 1.00 0.74 C ATOM 440 CZ PHE A 27 1.087 -6.056 -0.327 1.00 0.71 C ATOM 0 H PHE A 27 -4.977 -7.715 1.862 1.00 0.42 H new ATOM 0 HA PHE A 27 -3.813 -6.433 -0.292 1.00 0.44 H new ATOM 0 HB2 PHE A 27 -2.918 -6.907 2.064 1.00 0.48 H new ATOM 0 HB3 PHE A 27 -2.524 -8.523 1.511 1.00 0.48 H new ATOM 0 HD1 PHE A 27 -1.982 -4.960 0.521 1.00 0.57 H new ATOM 0 HD2 PHE A 27 -0.390 -8.905 0.688 1.00 0.63 H new ATOM 0 HE1 PHE A 27 0.157 -4.135 -0.360 1.00 0.65 H new ATOM 0 HE2 PHE A 27 1.754 -8.078 -0.179 1.00 0.74 H new ATOM 0 HZ PHE A 27 2.027 -5.693 -0.714 1.00 0.71 H new ATOM 450 N PRO A 28 -3.764 -9.746 -0.741 1.00 0.49 N ATOM 451 CA PRO A 28 -3.510 -10.769 -1.765 1.00 0.57 C ATOM 452 C PRO A 28 -4.640 -10.966 -2.784 1.00 0.59 C ATOM 453 O PRO A 28 -4.551 -11.860 -3.626 1.00 0.76 O ATOM 454 CB PRO A 28 -3.358 -12.029 -0.927 1.00 0.73 C ATOM 455 CG PRO A 28 -4.289 -11.822 0.209 1.00 0.74 C ATOM 456 CD PRO A 28 -4.182 -10.363 0.542 1.00 0.52 C ATOM 0 HA PRO A 28 -2.655 -10.493 -2.382 1.00 0.57 H new ATOM 0 HB2 PRO A 28 -3.617 -12.921 -1.497 1.00 0.73 H new ATOM 0 HB3 PRO A 28 -2.332 -12.158 -0.583 1.00 0.73 H new ATOM 0 HG2 PRO A 28 -5.310 -12.090 -0.064 1.00 0.74 H new ATOM 0 HG3 PRO A 28 -4.014 -12.442 1.062 1.00 0.74 H new ATOM 0 HD2 PRO A 28 -5.133 -9.960 0.891 1.00 0.52 H new ATOM 0 HD3 PRO A 28 -3.451 -10.184 1.331 1.00 0.52 H new ATOM 464 N GLU A 29 -5.697 -10.164 -2.727 1.00 0.54 N ATOM 465 CA GLU A 29 -6.826 -10.378 -3.635 1.00 0.67 C ATOM 466 C GLU A 29 -6.827 -9.371 -4.779 1.00 0.69 C ATOM 467 O GLU A 29 -7.692 -9.422 -5.658 1.00 0.85 O ATOM 468 CB GLU A 29 -8.165 -10.309 -2.896 1.00 0.85 C ATOM 469 CG GLU A 29 -8.545 -8.909 -2.447 1.00 0.90 C ATOM 470 CD GLU A 29 -9.951 -8.834 -1.892 1.00 1.18 C ATOM 471 OE1 GLU A 29 -10.181 -9.344 -0.776 1.00 1.21 O ATOM 472 OE2 GLU A 29 -10.832 -8.259 -2.565 1.00 1.49 O ATOM 0 H GLU A 29 -5.800 -9.380 -2.083 1.00 0.54 H new ATOM 0 HA GLU A 29 -6.703 -11.379 -4.049 1.00 0.67 H new ATOM 0 HB2 GLU A 29 -8.949 -10.697 -3.546 1.00 0.85 H new ATOM 0 HB3 GLU A 29 -8.122 -10.961 -2.024 1.00 0.85 H new ATOM 0 HG2 GLU A 29 -7.840 -8.572 -1.687 1.00 0.90 H new ATOM 0 HG3 GLU A 29 -8.455 -8.225 -3.291 1.00 0.90 H new ATOM 479 N TRP A 30 -5.871 -8.456 -4.770 1.00 0.64 N ATOM 480 CA TRP A 30 -5.813 -7.426 -5.797 1.00 0.81 C ATOM 481 C TRP A 30 -5.368 -8.008 -7.131 1.00 0.66 C ATOM 482 O TRP A 30 -4.662 -9.013 -7.191 1.00 0.74 O ATOM 483 CB TRP A 30 -4.857 -6.292 -5.418 1.00 1.07 C ATOM 484 CG TRP A 30 -5.126 -5.659 -4.088 1.00 1.18 C ATOM 485 CD1 TRP A 30 -6.242 -5.794 -3.318 1.00 0.50 C ATOM 486 CD2 TRP A 30 -4.255 -4.770 -3.379 1.00 2.35 C ATOM 487 NE1 TRP A 30 -6.107 -5.064 -2.166 1.00 0.80 N ATOM 488 CE2 TRP A 30 -4.899 -4.425 -2.180 1.00 2.05 C ATOM 489 CE3 TRP A 30 -2.989 -4.240 -3.635 1.00 3.66 C ATOM 490 CZ2 TRP A 30 -4.322 -3.575 -1.241 1.00 3.01 C ATOM 491 CZ3 TRP A 30 -2.418 -3.394 -2.701 1.00 4.62 C ATOM 492 CH2 TRP A 30 -3.086 -3.071 -1.516 1.00 4.29 C ATOM 0 H TRP A 30 -5.131 -8.404 -4.070 1.00 0.64 H new ATOM 0 HA TRP A 30 -6.822 -7.024 -5.885 1.00 0.81 H new ATOM 0 HB2 TRP A 30 -3.838 -6.679 -5.420 1.00 1.07 H new ATOM 0 HB3 TRP A 30 -4.907 -5.522 -6.188 1.00 1.07 H new ATOM 0 HD1 TRP A 30 -7.106 -6.389 -3.577 1.00 0.50 H new ATOM 0 HE1 TRP A 30 -6.798 -5.007 -1.418 1.00 0.80 H new ATOM 0 HE3 TRP A 30 -2.464 -4.486 -4.546 1.00 3.66 H new ATOM 0 HZ2 TRP A 30 -4.836 -3.323 -0.325 1.00 3.01 H new ATOM 0 HZ3 TRP A 30 -1.440 -2.976 -2.890 1.00 4.62 H new ATOM 0 HH2 TRP A 30 -2.614 -2.409 -0.805 1.00 4.29 H new ATOM 503 N TRP A 31 -5.777 -7.342 -8.193 1.00 0.55 N ATOM 504 CA TRP A 31 -5.384 -7.703 -9.549 1.00 0.57 C ATOM 505 C TRP A 31 -4.008 -7.126 -9.955 1.00 0.60 C ATOM 506 O TRP A 31 -3.251 -7.808 -10.642 1.00 0.74 O ATOM 507 CB TRP A 31 -6.428 -7.204 -10.553 1.00 0.74 C ATOM 508 CG TRP A 31 -7.840 -7.549 -10.191 1.00 0.62 C ATOM 509 CD1 TRP A 31 -8.842 -6.671 -9.891 1.00 0.69 C ATOM 510 CD2 TRP A 31 -8.410 -8.859 -10.090 1.00 1.24 C ATOM 511 NE1 TRP A 31 -9.999 -7.354 -9.615 1.00 1.10 N ATOM 512 CE2 TRP A 31 -9.761 -8.699 -9.728 1.00 1.54 C ATOM 513 CE3 TRP A 31 -7.911 -10.152 -10.272 1.00 1.77 C ATOM 514 CZ2 TRP A 31 -10.617 -9.781 -9.545 1.00 2.31 C ATOM 515 CZ3 TRP A 31 -8.762 -11.225 -10.089 1.00 2.53 C ATOM 516 CH2 TRP A 31 -10.102 -11.033 -9.728 1.00 2.78 C ATOM 0 H TRP A 31 -6.394 -6.531 -8.144 1.00 0.55 H new ATOM 0 HA TRP A 31 -5.314 -8.791 -9.563 1.00 0.57 H new ATOM 0 HB2 TRP A 31 -6.342 -6.121 -10.642 1.00 0.74 H new ATOM 0 HB3 TRP A 31 -6.203 -7.624 -11.533 1.00 0.74 H new ATOM 0 HD1 TRP A 31 -8.739 -5.596 -9.874 1.00 0.69 H new ATOM 0 HE1 TRP A 31 -10.892 -6.929 -9.366 1.00 1.10 H new ATOM 0 HE3 TRP A 31 -6.879 -10.309 -10.550 1.00 1.77 H new ATOM 0 HZ2 TRP A 31 -11.651 -9.636 -9.268 1.00 2.31 H new ATOM 0 HZ3 TRP A 31 -8.388 -12.229 -10.227 1.00 2.53 H new ATOM 0 HH2 TRP A 31 -10.741 -11.893 -9.592 1.00 2.78 H new ATOM 527 N PRO A 32 -3.657 -5.871 -9.553 1.00 0.71 N ATOM 528 CA PRO A 32 -2.523 -5.140 -10.150 1.00 0.84 C ATOM 529 C PRO A 32 -1.174 -5.845 -10.012 1.00 0.85 C ATOM 530 O PRO A 32 -0.688 -6.464 -10.960 1.00 1.36 O ATOM 531 CB PRO A 32 -2.502 -3.808 -9.396 1.00 1.01 C ATOM 532 CG PRO A 32 -3.278 -4.048 -8.144 1.00 0.92 C ATOM 533 CD PRO A 32 -4.302 -5.075 -8.494 1.00 0.87 C ATOM 0 HA PRO A 32 -2.662 -5.046 -11.227 1.00 0.84 H new ATOM 0 HB2 PRO A 32 -1.481 -3.500 -9.172 1.00 1.01 H new ATOM 0 HB3 PRO A 32 -2.952 -3.013 -9.991 1.00 1.01 H new ATOM 0 HG2 PRO A 32 -2.629 -4.400 -7.342 1.00 0.92 H new ATOM 0 HG3 PRO A 32 -3.749 -3.130 -7.793 1.00 0.92 H new ATOM 0 HD2 PRO A 32 -4.561 -5.691 -7.633 1.00 0.87 H new ATOM 0 HD3 PRO A 32 -5.225 -4.615 -8.846 1.00 0.87 H new ATOM 541 N ASN A 33 -0.563 -5.732 -8.844 1.00 0.53 N ATOM 542 CA ASN A 33 0.738 -6.341 -8.606 1.00 0.57 C ATOM 543 C ASN A 33 0.583 -7.555 -7.701 1.00 0.67 C ATOM 544 O ASN A 33 1.465 -8.410 -7.622 1.00 0.72 O ATOM 545 CB ASN A 33 1.690 -5.333 -7.947 1.00 0.60 C ATOM 546 CG ASN A 33 3.097 -5.885 -7.810 1.00 0.82 C ATOM 547 OD1 ASN A 33 3.621 -6.524 -8.717 1.00 1.51 O ATOM 548 ND2 ASN A 33 3.698 -5.688 -6.648 1.00 0.76 N ATOM 0 H ASN A 33 -0.945 -5.225 -8.046 1.00 0.53 H new ATOM 0 HA ASN A 33 1.156 -6.650 -9.564 1.00 0.57 H new ATOM 0 HB2 ASN A 33 1.716 -4.418 -8.539 1.00 0.60 H new ATOM 0 HB3 ASN A 33 1.308 -5.065 -6.962 1.00 0.60 H new ATOM 0 HD21 ASN A 33 4.628 -6.073 -6.483 1.00 0.76 H new ATOM 0 HD22 ASN A 33 3.231 -5.151 -5.917 1.00 0.76 H new ATOM 555 N ASN A 34 -0.566 -7.639 -7.046 1.00 0.85 N ATOM 556 CA ASN A 34 -0.759 -8.605 -5.966 1.00 1.03 C ATOM 557 C ASN A 34 -1.471 -9.855 -6.454 1.00 1.40 C ATOM 558 O ASN A 34 -2.037 -10.608 -5.663 1.00 1.74 O ATOM 559 CB ASN A 34 -1.558 -7.975 -4.824 1.00 1.07 C ATOM 560 CG ASN A 34 -0.890 -6.743 -4.239 1.00 1.16 C ATOM 561 OD1 ASN A 34 -0.258 -5.953 -4.946 1.00 1.79 O ATOM 562 ND2 ASN A 34 -1.018 -6.572 -2.941 1.00 1.47 N ATOM 0 H ASN A 34 -1.378 -7.053 -7.240 1.00 0.85 H new ATOM 0 HA ASN A 34 0.229 -8.892 -5.606 1.00 1.03 H new ATOM 0 HB2 ASN A 34 -2.549 -7.705 -5.188 1.00 1.07 H new ATOM 0 HB3 ASN A 34 -1.698 -8.714 -4.035 1.00 1.07 H new ATOM 0 HD21 ASN A 34 -0.588 -5.766 -2.488 1.00 1.47 H new ATOM 0 HD22 ASN A 34 -1.548 -7.245 -2.388 1.00 1.47 H new ATOM 569 N PHE A 35 -1.424 -10.083 -7.753 1.00 1.51 N ATOM 570 CA PHE A 35 -2.114 -11.222 -8.344 1.00 1.98 C ATOM 571 C PHE A 35 -1.317 -12.516 -8.163 1.00 2.03 C ATOM 572 O PHE A 35 -1.892 -13.599 -8.059 1.00 2.51 O ATOM 573 CB PHE A 35 -2.372 -10.971 -9.834 1.00 2.40 C ATOM 574 CG PHE A 35 -3.223 -12.028 -10.482 1.00 2.92 C ATOM 575 CD1 PHE A 35 -2.649 -13.029 -11.249 1.00 3.19 C ATOM 576 CD2 PHE A 35 -4.599 -12.025 -10.317 1.00 3.49 C ATOM 577 CE1 PHE A 35 -3.429 -14.004 -11.838 1.00 3.91 C ATOM 578 CE2 PHE A 35 -5.386 -12.997 -10.905 1.00 4.27 C ATOM 579 CZ PHE A 35 -4.799 -13.987 -11.665 1.00 4.45 C ATOM 0 H PHE A 35 -0.918 -9.499 -8.420 1.00 1.51 H new ATOM 0 HA PHE A 35 -3.067 -11.337 -7.827 1.00 1.98 H new ATOM 0 HB2 PHE A 35 -2.857 -10.002 -9.952 1.00 2.40 H new ATOM 0 HB3 PHE A 35 -1.417 -10.915 -10.356 1.00 2.40 H new ATOM 0 HD1 PHE A 35 -1.578 -13.047 -11.388 1.00 3.19 H new ATOM 0 HD2 PHE A 35 -5.062 -11.253 -9.721 1.00 3.49 H new ATOM 0 HE1 PHE A 35 -2.969 -14.779 -12.433 1.00 3.91 H new ATOM 0 HE2 PHE A 35 -6.457 -12.981 -10.770 1.00 4.27 H new ATOM 0 HZ PHE A 35 -5.411 -14.749 -12.125 1.00 4.45 H new ATOM 589 N ARG A 36 0.004 -12.403 -8.107 1.00 1.65 N ATOM 590 CA ARG A 36 0.869 -13.582 -8.090 1.00 1.75 C ATOM 591 C ARG A 36 1.176 -14.063 -6.672 1.00 1.59 C ATOM 592 O ARG A 36 1.376 -13.262 -5.756 1.00 1.48 O ATOM 593 CB ARG A 36 2.170 -13.300 -8.846 1.00 1.73 C ATOM 594 CG ARG A 36 1.969 -13.172 -10.349 1.00 1.84 C ATOM 595 CD ARG A 36 1.315 -14.422 -10.909 1.00 2.25 C ATOM 596 NE ARG A 36 0.991 -14.309 -12.329 1.00 2.72 N ATOM 597 CZ ARG A 36 0.153 -15.132 -12.957 1.00 3.34 C ATOM 598 NH1 ARG A 36 -0.513 -16.054 -12.270 1.00 3.59 N ATOM 599 NH2 ARG A 36 -0.046 -15.012 -14.262 1.00 4.14 N ATOM 0 H ARG A 36 0.501 -11.513 -8.073 1.00 1.65 H new ATOM 0 HA ARG A 36 0.325 -14.383 -8.590 1.00 1.75 H new ATOM 0 HB2 ARG A 36 2.613 -12.380 -8.465 1.00 1.73 H new ATOM 0 HB3 ARG A 36 2.880 -14.102 -8.647 1.00 1.73 H new ATOM 0 HG2 ARG A 36 1.349 -12.302 -10.566 1.00 1.84 H new ATOM 0 HG3 ARG A 36 2.930 -13.008 -10.837 1.00 1.84 H new ATOM 0 HD2 ARG A 36 1.981 -15.272 -10.760 1.00 2.25 H new ATOM 0 HD3 ARG A 36 0.403 -14.630 -10.349 1.00 2.25 H new ATOM 0 HE ARG A 36 1.429 -13.561 -12.867 1.00 2.72 H new ATOM 0 HH11 ARG A 36 -0.383 -16.132 -11.261 1.00 3.59 H new ATOM 0 HH12 ARG A 36 -1.155 -16.684 -12.751 1.00 3.59 H new ATOM 0 HH21 ARG A 36 0.443 -14.288 -14.788 1.00 4.14 H new ATOM 0 HH22 ARG A 36 -0.688 -15.644 -14.740 1.00 4.14 H new ATOM 613 N THR A 37 1.242 -15.384 -6.518 1.00 1.75 N ATOM 614 CA THR A 37 1.505 -16.009 -5.229 1.00 1.72 C ATOM 615 C THR A 37 2.984 -15.917 -4.868 1.00 1.37 C ATOM 616 O THR A 37 3.836 -15.819 -5.756 1.00 1.37 O ATOM 617 CB THR A 37 1.059 -17.486 -5.229 1.00 2.19 C ATOM 618 OG1 THR A 37 1.605 -18.164 -6.372 1.00 2.53 O ATOM 619 CG2 THR A 37 -0.459 -17.589 -5.247 1.00 2.68 C ATOM 0 H THR A 37 1.115 -16.047 -7.282 1.00 1.75 H new ATOM 0 HA THR A 37 0.927 -15.468 -4.480 1.00 1.72 H new ATOM 0 HB THR A 37 1.429 -17.957 -4.319 1.00 2.19 H new ATOM 0 HG1 THR A 37 1.319 -19.101 -6.364 1.00 2.53 H new ATOM 0 HG21 THR A 37 -0.752 -18.639 -5.247 1.00 2.68 H new ATOM 0 HG22 THR A 37 -0.868 -17.098 -4.364 1.00 2.68 H new ATOM 0 HG23 THR A 37 -0.846 -17.104 -6.143 1.00 2.68 H new ATOM 627 N THR A 38 3.262 -15.900 -3.556 1.00 1.24 N ATOM 628 CA THR A 38 4.613 -15.695 -2.991 1.00 1.07 C ATOM 629 C THR A 38 5.270 -14.417 -3.501 1.00 1.09 C ATOM 630 O THR A 38 6.443 -14.149 -3.237 1.00 1.38 O ATOM 631 CB THR A 38 5.556 -16.908 -3.175 1.00 1.16 C ATOM 632 OG1 THR A 38 5.450 -17.474 -4.486 1.00 1.42 O ATOM 633 CG2 THR A 38 5.251 -17.965 -2.131 1.00 1.37 C ATOM 0 H THR A 38 2.545 -16.030 -2.842 1.00 1.24 H new ATOM 0 HA THR A 38 4.450 -15.587 -1.919 1.00 1.07 H new ATOM 0 HB THR A 38 6.578 -16.552 -3.050 1.00 1.16 H new ATOM 0 HG1 THR A 38 5.204 -16.774 -5.126 1.00 1.42 H new ATOM 0 HG21 THR A 38 5.919 -18.815 -2.268 1.00 1.37 H new ATOM 0 HG22 THR A 38 5.396 -17.546 -1.135 1.00 1.37 H new ATOM 0 HG23 THR A 38 4.218 -18.295 -2.238 1.00 1.37 H new ATOM 641 N LYS A 39 4.507 -13.635 -4.234 1.00 0.96 N ATOM 642 CA LYS A 39 4.830 -12.251 -4.453 1.00 1.09 C ATOM 643 C LYS A 39 4.055 -11.489 -3.394 1.00 1.22 C ATOM 644 O LYS A 39 3.992 -11.938 -2.252 1.00 1.97 O ATOM 645 CB LYS A 39 4.438 -11.811 -5.872 1.00 1.15 C ATOM 646 CG LYS A 39 5.223 -10.604 -6.378 1.00 1.49 C ATOM 647 CD LYS A 39 4.768 -10.184 -7.766 1.00 1.66 C ATOM 648 CE LYS A 39 5.592 -9.020 -8.294 1.00 2.28 C ATOM 649 NZ LYS A 39 5.235 -8.673 -9.694 1.00 2.90 N ATOM 0 H LYS A 39 3.649 -13.944 -4.691 1.00 0.96 H new ATOM 0 HA LYS A 39 5.901 -12.063 -4.374 1.00 1.09 H new ATOM 0 HB2 LYS A 39 4.590 -12.645 -6.557 1.00 1.15 H new ATOM 0 HB3 LYS A 39 3.374 -11.575 -5.889 1.00 1.15 H new ATOM 0 HG2 LYS A 39 5.098 -9.771 -5.686 1.00 1.49 H new ATOM 0 HG3 LYS A 39 6.286 -10.843 -6.400 1.00 1.49 H new ATOM 0 HD2 LYS A 39 4.851 -11.030 -8.449 1.00 1.66 H new ATOM 0 HD3 LYS A 39 3.716 -9.902 -7.735 1.00 1.66 H new ATOM 0 HE2 LYS A 39 5.441 -8.150 -7.655 1.00 2.28 H new ATOM 0 HE3 LYS A 39 6.651 -9.273 -8.242 1.00 2.28 H new ATOM 0 HZ1 LYS A 39 6.099 -8.447 -10.227 1.00 2.90 H new ATOM 0 HZ2 LYS A 39 4.755 -9.480 -10.140 1.00 2.90 H new ATOM 0 HZ3 LYS A 39 4.601 -7.849 -9.696 1.00 2.90 H new ATOM 663 N VAL A 40 3.417 -10.401 -3.763 1.00 1.04 N ATOM 664 CA VAL A 40 2.623 -9.641 -2.813 1.00 1.22 C ATOM 665 C VAL A 40 1.166 -10.093 -2.844 1.00 1.42 C ATOM 666 O VAL A 40 0.265 -9.380 -2.410 1.00 1.83 O ATOM 667 CB VAL A 40 2.725 -8.130 -3.088 1.00 1.30 C ATOM 668 CG1 VAL A 40 4.124 -7.645 -2.763 1.00 1.78 C ATOM 669 CG2 VAL A 40 2.377 -7.815 -4.533 1.00 1.40 C ATOM 0 H VAL A 40 3.430 -10.020 -4.709 1.00 1.04 H new ATOM 0 HA VAL A 40 3.023 -9.831 -1.817 1.00 1.22 H new ATOM 0 HB VAL A 40 2.009 -7.611 -2.451 1.00 1.30 H new ATOM 0 HG11 VAL A 40 4.193 -6.575 -2.959 1.00 1.78 H new ATOM 0 HG12 VAL A 40 4.340 -7.836 -1.712 1.00 1.78 H new ATOM 0 HG13 VAL A 40 4.846 -8.175 -3.384 1.00 1.78 H new ATOM 0 HG21 VAL A 40 2.457 -6.741 -4.701 1.00 1.40 H new ATOM 0 HG22 VAL A 40 3.067 -8.338 -5.196 1.00 1.40 H new ATOM 0 HG23 VAL A 40 1.357 -8.140 -4.741 1.00 1.40 H new ATOM 679 N GLY A 41 0.949 -11.303 -3.349 1.00 1.42 N ATOM 680 CA GLY A 41 -0.385 -11.858 -3.403 1.00 1.82 C ATOM 681 C GLY A 41 -0.440 -13.278 -2.889 1.00 1.67 C ATOM 682 O GLY A 41 -1.127 -14.130 -3.453 1.00 2.17 O ATOM 0 H GLY A 41 1.679 -11.909 -3.723 1.00 1.42 H new ATOM 0 HA2 GLY A 41 -1.059 -11.235 -2.814 1.00 1.82 H new ATOM 0 HA3 GLY A 41 -0.745 -11.833 -4.432 1.00 1.82 H new ATOM 686 N ALA A 42 0.300 -13.538 -1.823 1.00 1.12 N ATOM 687 CA ALA A 42 0.207 -14.811 -1.125 1.00 1.00 C ATOM 688 C ALA A 42 -0.881 -14.705 -0.060 1.00 1.01 C ATOM 689 O ALA A 42 -1.229 -13.598 0.332 1.00 1.09 O ATOM 690 CB ALA A 42 1.551 -15.184 -0.515 1.00 0.80 C ATOM 0 H ALA A 42 0.972 -12.884 -1.422 1.00 1.12 H new ATOM 0 HA ALA A 42 -0.058 -15.603 -1.826 1.00 1.00 H new ATOM 0 HB1 ALA A 42 1.463 -16.139 0.003 1.00 0.80 H new ATOM 0 HB2 ALA A 42 2.298 -15.267 -1.304 1.00 0.80 H new ATOM 0 HB3 ALA A 42 1.855 -14.414 0.193 1.00 0.80 H new ATOM 696 N PRO A 43 -1.416 -15.845 0.428 1.00 1.05 N ATOM 697 CA PRO A 43 -2.595 -15.893 1.327 1.00 1.15 C ATOM 698 C PRO A 43 -2.596 -14.894 2.498 1.00 1.08 C ATOM 699 O PRO A 43 -3.649 -14.633 3.082 1.00 1.40 O ATOM 700 CB PRO A 43 -2.553 -17.321 1.863 1.00 1.29 C ATOM 701 CG PRO A 43 -1.953 -18.109 0.757 1.00 1.48 C ATOM 702 CD PRO A 43 -0.928 -17.209 0.121 1.00 1.11 C ATOM 0 HA PRO A 43 -3.492 -15.615 0.774 1.00 1.15 H new ATOM 0 HB2 PRO A 43 -1.953 -17.388 2.771 1.00 1.29 H new ATOM 0 HB3 PRO A 43 -3.551 -17.682 2.113 1.00 1.29 H new ATOM 0 HG2 PRO A 43 -1.492 -19.022 1.133 1.00 1.48 H new ATOM 0 HG3 PRO A 43 -2.712 -18.409 0.034 1.00 1.48 H new ATOM 0 HD2 PRO A 43 0.066 -17.381 0.534 1.00 1.11 H new ATOM 0 HD3 PRO A 43 -0.860 -17.377 -0.954 1.00 1.11 H new ATOM 710 N LEU A 44 -1.446 -14.330 2.842 1.00 0.87 N ATOM 711 CA LEU A 44 -1.372 -13.406 3.966 1.00 0.85 C ATOM 712 C LEU A 44 -1.433 -11.953 3.492 1.00 0.81 C ATOM 713 O LEU A 44 -2.522 -11.422 3.260 1.00 1.24 O ATOM 714 CB LEU A 44 -0.113 -13.657 4.798 1.00 0.95 C ATOM 715 CG LEU A 44 0.112 -12.667 5.941 1.00 1.26 C ATOM 716 CD1 LEU A 44 -1.082 -12.644 6.884 1.00 1.75 C ATOM 717 CD2 LEU A 44 1.376 -13.019 6.702 1.00 1.66 C ATOM 0 H LEU A 44 -0.560 -14.494 2.364 1.00 0.87 H new ATOM 0 HA LEU A 44 -2.239 -13.585 4.602 1.00 0.85 H new ATOM 0 HB2 LEU A 44 -0.165 -14.663 5.213 1.00 0.95 H new ATOM 0 HB3 LEU A 44 0.753 -13.629 4.137 1.00 0.95 H new ATOM 0 HG LEU A 44 0.225 -11.672 5.511 1.00 1.26 H new ATOM 0 HD11 LEU A 44 -0.897 -11.932 7.688 1.00 1.75 H new ATOM 0 HD12 LEU A 44 -1.974 -12.346 6.334 1.00 1.75 H new ATOM 0 HD13 LEU A 44 -1.231 -13.638 7.306 1.00 1.75 H new ATOM 0 HD21 LEU A 44 1.523 -12.305 7.513 1.00 1.66 H new ATOM 0 HD22 LEU A 44 1.284 -14.024 7.115 1.00 1.66 H new ATOM 0 HD23 LEU A 44 2.230 -12.981 6.026 1.00 1.66 H new ATOM 729 N GLY A 45 -0.278 -11.309 3.355 1.00 0.61 N ATOM 730 CA GLY A 45 -0.246 -9.949 2.872 1.00 0.75 C ATOM 731 C GLY A 45 0.124 -8.953 3.952 1.00 0.61 C ATOM 732 O GLY A 45 1.080 -8.196 3.813 1.00 0.61 O ATOM 0 H GLY A 45 0.635 -11.709 3.571 1.00 0.61 H new ATOM 0 HA2 GLY A 45 0.471 -9.875 2.054 1.00 0.75 H new ATOM 0 HA3 GLY A 45 -1.223 -9.690 2.464 1.00 0.75 H new ATOM 736 N VAL A 46 -0.626 -8.954 5.039 1.00 0.54 N ATOM 737 CA VAL A 46 -0.414 -7.982 6.101 1.00 0.45 C ATOM 738 C VAL A 46 -0.560 -8.616 7.478 1.00 0.47 C ATOM 739 O VAL A 46 -1.449 -9.438 7.709 1.00 0.60 O ATOM 740 CB VAL A 46 -1.397 -6.796 5.992 1.00 0.47 C ATOM 741 CG1 VAL A 46 -1.228 -5.845 7.169 1.00 0.52 C ATOM 742 CG2 VAL A 46 -1.202 -6.045 4.683 1.00 0.49 C ATOM 0 H VAL A 46 -1.385 -9.613 5.211 1.00 0.54 H new ATOM 0 HA VAL A 46 0.605 -7.615 5.981 1.00 0.45 H new ATOM 0 HB VAL A 46 -2.409 -7.201 6.011 1.00 0.47 H new ATOM 0 HG11 VAL A 46 -1.930 -5.017 7.072 1.00 0.52 H new ATOM 0 HG12 VAL A 46 -1.423 -6.379 8.099 1.00 0.52 H new ATOM 0 HG13 VAL A 46 -0.209 -5.457 7.180 1.00 0.52 H new ATOM 0 HG21 VAL A 46 -1.906 -5.215 4.631 1.00 0.49 H new ATOM 0 HG22 VAL A 46 -0.183 -5.660 4.632 1.00 0.49 H new ATOM 0 HG23 VAL A 46 -1.376 -6.721 3.846 1.00 0.49 H new ATOM 752 N ASP A 47 0.324 -8.223 8.381 1.00 0.41 N ATOM 753 CA ASP A 47 0.259 -8.634 9.768 1.00 0.49 C ATOM 754 C ASP A 47 -0.229 -7.471 10.618 1.00 0.52 C ATOM 755 O ASP A 47 0.522 -6.533 10.897 1.00 0.57 O ATOM 756 CB ASP A 47 1.627 -9.097 10.253 1.00 0.58 C ATOM 757 CG ASP A 47 1.626 -9.417 11.728 1.00 0.79 C ATOM 758 OD1 ASP A 47 1.220 -10.535 12.094 1.00 1.11 O ATOM 759 OD2 ASP A 47 2.047 -8.557 12.526 1.00 0.95 O ATOM 0 H ASP A 47 1.109 -7.607 8.168 1.00 0.41 H new ATOM 0 HA ASP A 47 -0.437 -9.468 9.858 1.00 0.49 H new ATOM 0 HB2 ASP A 47 1.931 -9.980 9.691 1.00 0.58 H new ATOM 0 HB3 ASP A 47 2.365 -8.321 10.051 1.00 0.58 H new ATOM 764 N LYS A 48 -1.494 -7.524 11.002 1.00 0.63 N ATOM 765 CA LYS A 48 -2.121 -6.426 11.723 1.00 0.79 C ATOM 766 C LYS A 48 -1.772 -6.451 13.213 1.00 0.85 C ATOM 767 O LYS A 48 -2.025 -5.481 13.929 1.00 1.06 O ATOM 768 CB LYS A 48 -3.642 -6.476 11.546 1.00 1.01 C ATOM 769 CG LYS A 48 -4.092 -6.603 10.097 1.00 1.38 C ATOM 770 CD LYS A 48 -5.603 -6.497 9.983 1.00 1.34 C ATOM 771 CE LYS A 48 -6.075 -5.064 10.168 1.00 2.06 C ATOM 772 NZ LYS A 48 -7.501 -4.995 10.591 1.00 2.81 N ATOM 0 H LYS A 48 -2.109 -8.318 10.826 1.00 0.63 H new ATOM 0 HA LYS A 48 -1.735 -5.497 11.304 1.00 0.79 H new ATOM 0 HB2 LYS A 48 -4.036 -7.319 12.114 1.00 1.01 H new ATOM 0 HB3 LYS A 48 -4.077 -5.573 11.973 1.00 1.01 H new ATOM 0 HG2 LYS A 48 -3.623 -5.823 9.498 1.00 1.38 H new ATOM 0 HG3 LYS A 48 -3.760 -7.559 9.692 1.00 1.38 H new ATOM 0 HD2 LYS A 48 -5.922 -6.863 9.007 1.00 1.34 H new ATOM 0 HD3 LYS A 48 -6.071 -7.135 10.732 1.00 1.34 H new ATOM 0 HE2 LYS A 48 -5.452 -4.571 10.914 1.00 2.06 H new ATOM 0 HE3 LYS A 48 -5.947 -4.517 9.234 1.00 2.06 H new ATOM 0 HZ1 LYS A 48 -7.661 -4.120 11.130 1.00 2.81 H new ATOM 0 HZ2 LYS A 48 -8.113 -5.000 9.750 1.00 2.81 H new ATOM 0 HZ3 LYS A 48 -7.726 -5.816 11.188 1.00 2.81 H new ATOM 786 N LYS A 49 -1.191 -7.552 13.680 1.00 0.80 N ATOM 787 CA LYS A 49 -0.922 -7.712 15.107 1.00 0.97 C ATOM 788 C LYS A 49 0.394 -7.036 15.502 1.00 1.14 C ATOM 789 O LYS A 49 0.469 -6.354 16.527 1.00 1.32 O ATOM 790 CB LYS A 49 -0.920 -9.199 15.504 1.00 1.08 C ATOM 791 CG LYS A 49 0.246 -10.007 14.950 1.00 1.35 C ATOM 792 CD LYS A 49 0.103 -11.490 15.264 1.00 1.66 C ATOM 793 CE LYS A 49 -0.950 -12.151 14.385 1.00 2.40 C ATOM 794 NZ LYS A 49 -0.486 -12.319 12.979 1.00 3.17 N ATOM 0 H LYS A 49 -0.900 -8.339 13.100 1.00 0.80 H new ATOM 0 HA LYS A 49 -1.725 -7.219 15.654 1.00 0.97 H new ATOM 0 HB2 LYS A 49 -0.909 -9.270 16.592 1.00 1.08 H new ATOM 0 HB3 LYS A 49 -1.851 -9.652 15.165 1.00 1.08 H new ATOM 0 HG2 LYS A 49 0.305 -9.868 13.871 1.00 1.35 H new ATOM 0 HG3 LYS A 49 1.180 -9.634 15.371 1.00 1.35 H new ATOM 0 HD2 LYS A 49 1.062 -11.987 15.120 1.00 1.66 H new ATOM 0 HD3 LYS A 49 -0.167 -11.616 16.313 1.00 1.66 H new ATOM 0 HE2 LYS A 49 -1.207 -13.126 14.800 1.00 2.40 H new ATOM 0 HE3 LYS A 49 -1.859 -11.550 14.396 1.00 2.40 H new ATOM 0 HZ1 LYS A 49 -1.185 -11.904 12.331 1.00 3.17 H new ATOM 0 HZ2 LYS A 49 0.428 -11.839 12.856 1.00 3.17 H new ATOM 0 HZ3 LYS A 49 -0.377 -13.332 12.768 1.00 3.17 H new ATOM 808 N GLY A 50 1.426 -7.221 14.690 1.00 1.22 N ATOM 809 CA GLY A 50 2.703 -6.594 14.956 1.00 1.53 C ATOM 810 C GLY A 50 2.893 -5.339 14.137 1.00 1.14 C ATOM 811 O GLY A 50 3.532 -4.383 14.582 1.00 1.29 O ATOM 0 H GLY A 50 1.400 -7.797 13.849 1.00 1.22 H new ATOM 0 HA2 GLY A 50 2.775 -6.351 16.016 1.00 1.53 H new ATOM 0 HA3 GLY A 50 3.506 -7.297 14.735 1.00 1.53 H new ATOM 815 N GLY A 51 2.337 -5.340 12.936 1.00 0.77 N ATOM 816 CA GLY A 51 2.385 -4.160 12.103 1.00 0.65 C ATOM 817 C GLY A 51 3.420 -4.260 11.006 1.00 0.56 C ATOM 818 O GLY A 51 4.326 -3.433 10.925 1.00 0.60 O ATOM 0 H GLY A 51 1.853 -6.138 12.524 1.00 0.77 H new ATOM 0 HA2 GLY A 51 1.404 -3.995 11.657 1.00 0.65 H new ATOM 0 HA3 GLY A 51 2.603 -3.291 12.724 1.00 0.65 H new ATOM 822 N ARG A 52 3.295 -5.270 10.159 1.00 0.51 N ATOM 823 CA ARG A 52 4.185 -5.412 9.020 1.00 0.53 C ATOM 824 C ARG A 52 3.435 -5.985 7.824 1.00 0.50 C ATOM 825 O ARG A 52 2.475 -6.729 7.990 1.00 0.60 O ATOM 826 CB ARG A 52 5.362 -6.316 9.391 1.00 0.68 C ATOM 827 CG ARG A 52 4.936 -7.707 9.834 1.00 1.04 C ATOM 828 CD ARG A 52 6.080 -8.471 10.471 1.00 1.42 C ATOM 829 NE ARG A 52 7.199 -8.660 9.548 1.00 2.14 N ATOM 830 CZ ARG A 52 7.807 -9.828 9.338 1.00 2.80 C ATOM 831 NH1 ARG A 52 7.407 -10.923 9.971 1.00 2.98 N ATOM 832 NH2 ARG A 52 8.821 -9.898 8.489 1.00 3.72 N ATOM 0 H ARG A 52 2.588 -6.001 10.239 1.00 0.51 H new ATOM 0 HA ARG A 52 4.565 -4.428 8.746 1.00 0.53 H new ATOM 0 HB2 ARG A 52 6.028 -6.404 8.533 1.00 0.68 H new ATOM 0 HB3 ARG A 52 5.934 -5.846 10.192 1.00 0.68 H new ATOM 0 HG2 ARG A 52 4.113 -7.626 10.544 1.00 1.04 H new ATOM 0 HG3 ARG A 52 4.562 -8.263 8.975 1.00 1.04 H new ATOM 0 HD2 ARG A 52 6.426 -7.934 11.354 1.00 1.42 H new ATOM 0 HD3 ARG A 52 5.722 -9.443 10.809 1.00 1.42 H new ATOM 0 HE ARG A 52 7.535 -7.847 9.032 1.00 2.14 H new ATOM 0 HH11 ARG A 52 6.627 -10.877 10.626 1.00 2.98 H new ATOM 0 HH12 ARG A 52 7.880 -11.811 9.802 1.00 2.98 H new ATOM 0 HH21 ARG A 52 9.134 -9.060 7.999 1.00 3.72 H new ATOM 0 HH22 ARG A 52 9.289 -10.790 8.326 1.00 3.72 H new ATOM 846 N TRP A 53 3.857 -5.617 6.626 1.00 0.52 N ATOM 847 CA TRP A 53 3.273 -6.170 5.409 1.00 0.53 C ATOM 848 C TRP A 53 4.186 -7.259 4.864 1.00 0.57 C ATOM 849 O TRP A 53 5.331 -6.982 4.488 1.00 0.73 O ATOM 850 CB TRP A 53 3.065 -5.081 4.341 1.00 0.65 C ATOM 851 CG TRP A 53 2.047 -4.032 4.697 1.00 0.55 C ATOM 852 CD1 TRP A 53 1.743 -3.561 5.939 1.00 0.53 C ATOM 853 CD2 TRP A 53 1.208 -3.305 3.785 1.00 0.73 C ATOM 854 NE1 TRP A 53 0.768 -2.599 5.857 1.00 0.68 N ATOM 855 CE2 TRP A 53 0.426 -2.422 4.548 1.00 0.82 C ATOM 856 CE3 TRP A 53 1.041 -3.316 2.400 1.00 0.95 C ATOM 857 CZ2 TRP A 53 -0.505 -1.563 3.976 1.00 1.11 C ATOM 858 CZ3 TRP A 53 0.115 -2.461 1.832 1.00 1.20 C ATOM 859 CH2 TRP A 53 -0.646 -1.593 2.618 1.00 1.28 C ATOM 0 H TRP A 53 4.601 -4.938 6.467 1.00 0.52 H new ATOM 0 HA TRP A 53 2.297 -6.589 5.654 1.00 0.53 H new ATOM 0 HB2 TRP A 53 4.020 -4.591 4.152 1.00 0.65 H new ATOM 0 HB3 TRP A 53 2.762 -5.559 3.409 1.00 0.65 H new ATOM 0 HD1 TRP A 53 2.203 -3.897 6.856 1.00 0.53 H new ATOM 0 HE1 TRP A 53 0.364 -2.097 6.648 1.00 0.68 H new ATOM 0 HE3 TRP A 53 1.625 -3.981 1.782 1.00 0.95 H new ATOM 0 HZ2 TRP A 53 -1.096 -0.895 4.584 1.00 1.11 H new ATOM 0 HZ3 TRP A 53 -0.022 -2.464 0.761 1.00 1.20 H new ATOM 0 HH2 TRP A 53 -1.358 -0.934 2.144 1.00 1.28 H new ATOM 870 N TYR A 54 3.695 -8.492 4.852 1.00 0.49 N ATOM 871 CA TYR A 54 4.466 -9.618 4.351 1.00 0.58 C ATOM 872 C TYR A 54 3.539 -10.781 4.017 1.00 0.49 C ATOM 873 O TYR A 54 2.480 -10.948 4.629 1.00 0.52 O ATOM 874 CB TYR A 54 5.536 -10.051 5.368 1.00 0.75 C ATOM 875 CG TYR A 54 5.032 -10.895 6.526 1.00 0.58 C ATOM 876 CD1 TYR A 54 5.388 -12.234 6.624 1.00 0.73 C ATOM 877 CD2 TYR A 54 4.221 -10.360 7.519 1.00 0.61 C ATOM 878 CE1 TYR A 54 4.955 -13.016 7.676 1.00 1.06 C ATOM 879 CE2 TYR A 54 3.781 -11.138 8.577 1.00 0.95 C ATOM 880 CZ TYR A 54 4.150 -12.466 8.649 1.00 1.20 C ATOM 881 OH TYR A 54 3.716 -13.248 9.699 1.00 1.66 O ATOM 0 H TYR A 54 2.762 -8.736 5.185 1.00 0.49 H new ATOM 0 HA TYR A 54 4.978 -9.306 3.441 1.00 0.58 H new ATOM 0 HB2 TYR A 54 6.308 -10.612 4.841 1.00 0.75 H new ATOM 0 HB3 TYR A 54 6.011 -9.157 5.772 1.00 0.75 H new ATOM 0 HD1 TYR A 54 6.016 -12.672 5.862 1.00 0.73 H new ATOM 0 HD2 TYR A 54 3.929 -9.322 7.465 1.00 0.61 H new ATOM 0 HE1 TYR A 54 5.246 -14.054 7.736 1.00 1.06 H new ATOM 0 HE2 TYR A 54 3.152 -10.707 9.342 1.00 0.95 H new ATOM 0 HH TYR A 54 3.158 -12.710 10.299 1.00 1.66 H new ATOM 891 N GLU A 55 3.925 -11.568 3.031 1.00 0.52 N ATOM 892 CA GLU A 55 3.132 -12.698 2.616 1.00 0.56 C ATOM 893 C GLU A 55 3.875 -13.985 2.939 1.00 0.62 C ATOM 894 O GLU A 55 5.062 -13.955 3.278 1.00 0.81 O ATOM 895 CB GLU A 55 2.833 -12.614 1.114 1.00 0.73 C ATOM 896 CG GLU A 55 2.201 -11.298 0.667 1.00 0.81 C ATOM 897 CD GLU A 55 3.179 -10.134 0.671 1.00 1.51 C ATOM 898 OE1 GLU A 55 4.140 -10.164 -0.114 1.00 1.94 O ATOM 899 OE2 GLU A 55 2.963 -9.176 1.434 1.00 2.12 O ATOM 0 H GLU A 55 4.788 -11.440 2.503 1.00 0.52 H new ATOM 0 HA GLU A 55 2.184 -12.689 3.154 1.00 0.56 H new ATOM 0 HB2 GLU A 55 3.762 -12.762 0.563 1.00 0.73 H new ATOM 0 HB3 GLU A 55 2.167 -13.433 0.843 1.00 0.73 H new ATOM 0 HG2 GLU A 55 1.795 -11.420 -0.337 1.00 0.81 H new ATOM 0 HG3 GLU A 55 1.363 -11.063 1.323 1.00 0.81 H new ATOM 906 N ILE A 56 3.193 -15.112 2.825 1.00 0.63 N ATOM 907 CA ILE A 56 3.806 -16.393 3.131 1.00 0.68 C ATOM 908 C ILE A 56 4.703 -16.818 1.979 1.00 0.70 C ATOM 909 O ILE A 56 4.221 -17.240 0.927 1.00 0.80 O ATOM 910 CB ILE A 56 2.750 -17.491 3.384 1.00 0.83 C ATOM 911 CG1 ILE A 56 1.697 -17.014 4.394 1.00 0.90 C ATOM 912 CG2 ILE A 56 3.427 -18.767 3.872 1.00 0.92 C ATOM 913 CD1 ILE A 56 2.260 -16.649 5.751 1.00 0.90 C ATOM 0 H ILE A 56 2.220 -15.166 2.524 1.00 0.63 H new ATOM 0 HA ILE A 56 4.391 -16.270 4.043 1.00 0.68 H new ATOM 0 HB ILE A 56 2.240 -17.704 2.445 1.00 0.83 H new ATOM 0 HG12 ILE A 56 1.181 -16.147 3.982 1.00 0.90 H new ATOM 0 HG13 ILE A 56 0.951 -17.798 4.522 1.00 0.90 H new ATOM 0 HG21 ILE A 56 2.673 -19.535 4.047 1.00 0.92 H new ATOM 0 HG22 ILE A 56 4.132 -19.116 3.118 1.00 0.92 H new ATOM 0 HG23 ILE A 56 3.960 -18.564 4.801 1.00 0.92 H new ATOM 0 HD11 ILE A 56 1.451 -16.323 6.405 1.00 0.90 H new ATOM 0 HD12 ILE A 56 2.750 -17.519 6.187 1.00 0.90 H new ATOM 0 HD13 ILE A 56 2.984 -15.842 5.639 1.00 0.90 H new ATOM 925 N ASP A 57 6.003 -16.664 2.168 1.00 0.65 N ATOM 926 CA ASP A 57 6.966 -17.009 1.140 1.00 0.72 C ATOM 927 C ASP A 57 7.614 -18.354 1.453 1.00 0.76 C ATOM 928 O ASP A 57 7.638 -18.778 2.607 1.00 0.96 O ATOM 929 CB ASP A 57 8.020 -15.914 1.014 1.00 0.84 C ATOM 930 CG ASP A 57 8.749 -15.978 -0.308 1.00 1.35 C ATOM 931 OD1 ASP A 57 8.351 -15.266 -1.243 1.00 1.71 O ATOM 932 OD2 ASP A 57 9.725 -16.742 -0.412 1.00 1.97 O ATOM 0 H ASP A 57 6.415 -16.301 3.028 1.00 0.65 H new ATOM 0 HA ASP A 57 6.447 -17.094 0.185 1.00 0.72 H new ATOM 0 HB2 ASP A 57 7.544 -14.939 1.118 1.00 0.84 H new ATOM 0 HB3 ASP A 57 8.738 -16.007 1.829 1.00 0.84 H new ATOM 937 N GLU A 58 8.178 -18.984 0.430 1.00 0.87 N ATOM 938 CA GLU A 58 8.573 -20.391 0.490 1.00 1.01 C ATOM 939 C GLU A 58 9.693 -20.682 1.494 1.00 1.04 C ATOM 940 O GLU A 58 9.743 -21.774 2.058 1.00 1.17 O ATOM 941 CB GLU A 58 8.989 -20.876 -0.897 1.00 1.35 C ATOM 942 CG GLU A 58 10.083 -20.036 -1.540 1.00 1.54 C ATOM 943 CD GLU A 58 10.594 -20.642 -2.827 1.00 2.04 C ATOM 944 OE1 GLU A 58 9.964 -20.428 -3.883 1.00 2.43 O ATOM 945 OE2 GLU A 58 11.626 -21.343 -2.784 1.00 2.21 O ATOM 0 H GLU A 58 8.376 -18.537 -0.465 1.00 0.87 H new ATOM 0 HA GLU A 58 7.696 -20.934 0.842 1.00 1.01 H new ATOM 0 HB2 GLU A 58 9.333 -21.908 -0.823 1.00 1.35 H new ATOM 0 HB3 GLU A 58 8.115 -20.877 -1.548 1.00 1.35 H new ATOM 0 HG2 GLU A 58 9.699 -19.036 -1.740 1.00 1.54 H new ATOM 0 HG3 GLU A 58 10.911 -19.925 -0.840 1.00 1.54 H new ATOM 952 N GLN A 59 10.592 -19.728 1.726 1.00 1.10 N ATOM 953 CA GLN A 59 11.733 -19.992 2.606 1.00 1.36 C ATOM 954 C GLN A 59 11.380 -19.735 4.071 1.00 1.39 C ATOM 955 O GLN A 59 12.252 -19.764 4.941 1.00 1.70 O ATOM 956 CB GLN A 59 12.976 -19.176 2.206 1.00 1.60 C ATOM 957 CG GLN A 59 12.964 -17.716 2.640 1.00 1.69 C ATOM 958 CD GLN A 59 12.008 -16.869 1.839 1.00 1.62 C ATOM 959 OE1 GLN A 59 12.374 -16.308 0.810 1.00 2.39 O ATOM 960 NE2 GLN A 59 10.780 -16.765 2.308 1.00 1.40 N ATOM 0 H GLN A 59 10.558 -18.789 1.330 1.00 1.10 H new ATOM 0 HA GLN A 59 11.977 -21.048 2.488 1.00 1.36 H new ATOM 0 HB2 GLN A 59 13.858 -19.657 2.630 1.00 1.60 H new ATOM 0 HB3 GLN A 59 13.082 -19.215 1.122 1.00 1.60 H new ATOM 0 HG2 GLN A 59 12.695 -17.659 3.695 1.00 1.69 H new ATOM 0 HG3 GLN A 59 13.970 -17.307 2.545 1.00 1.69 H new ATOM 0 HE21 GLN A 59 10.520 -17.249 3.167 1.00 1.40 H new ATOM 0 HE22 GLN A 59 10.091 -16.201 1.811 1.00 1.40 H new ATOM 969 N GLY A 60 10.105 -19.490 4.344 1.00 1.19 N ATOM 970 CA GLY A 60 9.671 -19.323 5.718 1.00 1.39 C ATOM 971 C GLY A 60 9.084 -17.958 6.009 1.00 1.45 C ATOM 972 O GLY A 60 9.629 -17.211 6.823 1.00 2.29 O ATOM 0 H GLY A 60 9.368 -19.404 3.644 1.00 1.19 H new ATOM 0 HA2 GLY A 60 8.927 -20.085 5.950 1.00 1.39 H new ATOM 0 HA3 GLY A 60 10.519 -19.493 6.381 1.00 1.39 H new ATOM 976 N GLU A 61 7.980 -17.635 5.335 1.00 1.11 N ATOM 977 CA GLU A 61 7.207 -16.419 5.619 1.00 1.15 C ATOM 978 C GLU A 61 8.066 -15.159 5.620 1.00 1.26 C ATOM 979 O GLU A 61 7.803 -14.218 6.369 1.00 1.72 O ATOM 980 CB GLU A 61 6.498 -16.566 6.966 1.00 1.33 C ATOM 981 CG GLU A 61 5.455 -17.668 6.977 1.00 1.38 C ATOM 982 CD GLU A 61 4.974 -18.005 8.370 1.00 1.69 C ATOM 983 OE1 GLU A 61 5.118 -19.173 8.796 1.00 1.77 O ATOM 984 OE2 GLU A 61 4.456 -17.095 9.051 1.00 2.31 O ATOM 0 H GLU A 61 7.595 -18.203 4.580 1.00 1.11 H new ATOM 0 HA GLU A 61 6.477 -16.305 4.817 1.00 1.15 H new ATOM 0 HB2 GLU A 61 7.239 -16.769 7.739 1.00 1.33 H new ATOM 0 HB3 GLU A 61 6.020 -15.620 7.223 1.00 1.33 H new ATOM 0 HG2 GLU A 61 4.604 -17.363 6.368 1.00 1.38 H new ATOM 0 HG3 GLU A 61 5.873 -18.563 6.516 1.00 1.38 H new ATOM 991 N GLU A 62 9.060 -15.119 4.755 1.00 1.06 N ATOM 992 CA GLU A 62 9.979 -14.002 4.739 1.00 1.20 C ATOM 993 C GLU A 62 9.747 -13.132 3.516 1.00 1.00 C ATOM 994 O GLU A 62 10.357 -13.326 2.464 1.00 1.08 O ATOM 995 CB GLU A 62 11.421 -14.495 4.789 1.00 1.54 C ATOM 996 CG GLU A 62 12.437 -13.372 4.947 1.00 1.98 C ATOM 997 CD GLU A 62 13.863 -13.870 5.054 1.00 2.16 C ATOM 998 OE1 GLU A 62 14.446 -13.796 6.156 1.00 2.61 O ATOM 999 OE2 GLU A 62 14.404 -14.360 4.043 1.00 2.56 O ATOM 0 H GLU A 62 9.250 -15.841 4.060 1.00 1.06 H new ATOM 0 HA GLU A 62 9.796 -13.394 5.625 1.00 1.20 H new ATOM 0 HB2 GLU A 62 11.530 -15.194 5.619 1.00 1.54 H new ATOM 0 HB3 GLU A 62 11.640 -15.048 3.876 1.00 1.54 H new ATOM 0 HG2 GLU A 62 12.358 -12.696 4.095 1.00 1.98 H new ATOM 0 HG3 GLU A 62 12.193 -12.793 5.837 1.00 1.98 H new ATOM 1006 N HIS A 63 8.808 -12.214 3.647 1.00 0.90 N ATOM 1007 CA HIS A 63 8.538 -11.246 2.607 1.00 0.85 C ATOM 1008 C HIS A 63 8.706 -9.838 3.150 1.00 0.92 C ATOM 1009 O HIS A 63 8.650 -9.621 4.361 1.00 1.22 O ATOM 1010 CB HIS A 63 7.128 -11.443 2.057 1.00 0.96 C ATOM 1011 CG HIS A 63 7.100 -11.578 0.574 1.00 1.85 C ATOM 1012 ND1 HIS A 63 6.813 -10.540 -0.281 1.00 2.82 N ATOM 1013 CD2 HIS A 63 7.357 -12.647 -0.203 1.00 2.22 C ATOM 1014 CE1 HIS A 63 6.904 -10.967 -1.526 1.00 3.72 C ATOM 1015 NE2 HIS A 63 7.232 -12.246 -1.506 1.00 3.37 N ATOM 0 H HIS A 63 8.216 -12.120 4.472 1.00 0.90 H new ATOM 0 HA HIS A 63 9.249 -11.392 1.794 1.00 0.85 H new ATOM 0 HB2 HIS A 63 6.689 -12.334 2.507 1.00 0.96 H new ATOM 0 HB3 HIS A 63 6.507 -10.597 2.352 1.00 0.96 H new ATOM 0 HD2 HIS A 63 7.614 -13.639 0.139 1.00 2.22 H new ATOM 0 HE1 HIS A 63 6.738 -10.371 -2.412 1.00 3.72 H new ATOM 0 HE2 HIS A 63 7.369 -12.837 -2.326 1.00 3.37 H new ATOM 1024 N THR A 64 8.923 -8.890 2.260 1.00 0.97 N ATOM 1025 CA THR A 64 9.104 -7.504 2.648 1.00 1.01 C ATOM 1026 C THR A 64 8.284 -6.588 1.746 1.00 1.50 C ATOM 1027 O THR A 64 8.501 -6.541 0.535 1.00 2.27 O ATOM 1028 CB THR A 64 10.600 -7.103 2.609 1.00 1.03 C ATOM 1029 OG1 THR A 64 10.744 -5.699 2.829 1.00 1.77 O ATOM 1030 CG2 THR A 64 11.257 -7.490 1.288 1.00 1.44 C ATOM 0 H THR A 64 8.979 -9.056 1.255 1.00 0.97 H new ATOM 0 HA THR A 64 8.752 -7.393 3.674 1.00 1.01 H new ATOM 0 HB THR A 64 11.104 -7.649 3.406 1.00 1.03 H new ATOM 0 HG1 THR A 64 10.547 -5.216 1.999 1.00 1.77 H new ATOM 0 HG21 THR A 64 12.305 -7.191 1.302 1.00 1.44 H new ATOM 0 HG22 THR A 64 11.189 -8.569 1.150 1.00 1.44 H new ATOM 0 HG23 THR A 64 10.747 -6.987 0.467 1.00 1.44 H new ATOM 1038 N PHE A 65 7.305 -5.908 2.330 1.00 1.66 N ATOM 1039 CA PHE A 65 6.535 -4.924 1.588 1.00 2.32 C ATOM 1040 C PHE A 65 6.426 -3.611 2.356 1.00 1.96 C ATOM 1041 O PHE A 65 6.643 -2.534 1.795 1.00 2.43 O ATOM 1042 CB PHE A 65 5.137 -5.445 1.246 1.00 3.26 C ATOM 1043 CG PHE A 65 4.422 -4.582 0.241 1.00 4.27 C ATOM 1044 CD1 PHE A 65 4.491 -4.874 -1.109 1.00 4.99 C ATOM 1045 CD2 PHE A 65 3.690 -3.477 0.643 1.00 4.69 C ATOM 1046 CE1 PHE A 65 3.844 -4.085 -2.040 1.00 6.10 C ATOM 1047 CE2 PHE A 65 3.040 -2.683 -0.282 1.00 5.77 C ATOM 1048 CZ PHE A 65 3.117 -2.988 -1.626 1.00 6.48 C ATOM 0 H PHE A 65 7.029 -6.020 3.306 1.00 1.66 H new ATOM 0 HA PHE A 65 7.071 -4.740 0.657 1.00 2.32 H new ATOM 0 HB2 PHE A 65 5.218 -6.459 0.855 1.00 3.26 H new ATOM 0 HB3 PHE A 65 4.542 -5.502 2.158 1.00 3.26 H new ATOM 0 HD1 PHE A 65 5.059 -5.731 -1.440 1.00 4.99 H new ATOM 0 HD2 PHE A 65 3.627 -3.233 1.693 1.00 4.69 H new ATOM 0 HE1 PHE A 65 3.907 -4.327 -3.091 1.00 6.10 H new ATOM 0 HE2 PHE A 65 2.472 -1.825 0.046 1.00 5.77 H new ATOM 0 HZ PHE A 65 2.610 -2.370 -2.352 1.00 6.48 H new ATOM 1058 N GLY A 66 6.103 -3.685 3.640 1.00 1.23 N ATOM 1059 CA GLY A 66 5.910 -2.467 4.394 1.00 0.93 C ATOM 1060 C GLY A 66 6.085 -2.635 5.888 1.00 0.80 C ATOM 1061 O GLY A 66 5.937 -3.731 6.428 1.00 0.96 O ATOM 0 H GLY A 66 5.973 -4.551 4.164 1.00 1.23 H new ATOM 0 HA2 GLY A 66 6.615 -1.716 4.038 1.00 0.93 H new ATOM 0 HA3 GLY A 66 4.909 -2.084 4.196 1.00 0.93 H new ATOM 1065 N LEU A 67 6.396 -1.530 6.546 1.00 0.64 N ATOM 1066 CA LEU A 67 6.541 -1.487 7.995 1.00 0.65 C ATOM 1067 C LEU A 67 5.484 -0.555 8.583 1.00 0.51 C ATOM 1068 O LEU A 67 5.540 0.656 8.385 1.00 0.54 O ATOM 1069 CB LEU A 67 7.958 -1.027 8.397 1.00 0.76 C ATOM 1070 CG LEU A 67 8.514 0.206 7.661 1.00 0.64 C ATOM 1071 CD1 LEU A 67 9.580 0.900 8.498 1.00 1.17 C ATOM 1072 CD2 LEU A 67 9.111 -0.192 6.320 1.00 1.14 C ATOM 0 H LEU A 67 6.556 -0.632 6.089 1.00 0.64 H new ATOM 0 HA LEU A 67 6.396 -2.491 8.394 1.00 0.65 H new ATOM 0 HB2 LEU A 67 7.957 -0.815 9.466 1.00 0.76 H new ATOM 0 HB3 LEU A 67 8.645 -1.858 8.237 1.00 0.76 H new ATOM 0 HG LEU A 67 7.685 0.894 7.496 1.00 0.64 H new ATOM 0 HD11 LEU A 67 9.958 1.768 7.958 1.00 1.17 H new ATOM 0 HD12 LEU A 67 9.147 1.222 9.445 1.00 1.17 H new ATOM 0 HD13 LEU A 67 10.399 0.207 8.691 1.00 1.17 H new ATOM 0 HD21 LEU A 67 9.498 0.694 5.817 1.00 1.14 H new ATOM 0 HD22 LEU A 67 9.922 -0.902 6.479 1.00 1.14 H new ATOM 0 HD23 LEU A 67 8.341 -0.653 5.702 1.00 1.14 H new ATOM 1084 N ILE A 68 4.510 -1.115 9.290 1.00 0.43 N ATOM 1085 CA ILE A 68 3.398 -0.319 9.794 1.00 0.38 C ATOM 1086 C ILE A 68 3.781 0.417 11.072 1.00 0.45 C ATOM 1087 O ILE A 68 4.419 -0.144 11.966 1.00 0.61 O ATOM 1088 CB ILE A 68 2.139 -1.167 10.078 1.00 0.38 C ATOM 1089 CG1 ILE A 68 1.777 -2.036 8.877 1.00 0.38 C ATOM 1090 CG2 ILE A 68 0.974 -0.255 10.426 1.00 0.46 C ATOM 1091 CD1 ILE A 68 0.548 -2.897 9.101 1.00 0.44 C ATOM 0 H ILE A 68 4.467 -2.107 9.525 1.00 0.43 H new ATOM 0 HA ILE A 68 3.166 0.395 9.004 1.00 0.38 H new ATOM 0 HB ILE A 68 2.353 -1.825 10.920 1.00 0.38 H new ATOM 0 HG12 ILE A 68 1.609 -1.394 8.012 1.00 0.38 H new ATOM 0 HG13 ILE A 68 2.623 -2.680 8.636 1.00 0.38 H new ATOM 0 HG21 ILE A 68 0.088 -0.857 10.626 1.00 0.46 H new ATOM 0 HG22 ILE A 68 1.222 0.330 11.311 1.00 0.46 H new ATOM 0 HG23 ILE A 68 0.776 0.417 9.591 1.00 0.46 H new ATOM 0 HD11 ILE A 68 0.350 -3.488 8.207 1.00 0.44 H new ATOM 0 HD12 ILE A 68 0.720 -3.564 9.946 1.00 0.44 H new ATOM 0 HD13 ILE A 68 -0.310 -2.259 9.312 1.00 0.44 H new ATOM 1103 N ARG A 69 3.389 1.678 11.136 1.00 0.43 N ATOM 1104 CA ARG A 69 3.618 2.508 12.305 1.00 0.55 C ATOM 1105 C ARG A 69 2.322 2.612 13.110 1.00 0.51 C ATOM 1106 O ARG A 69 2.340 2.670 14.338 1.00 0.67 O ATOM 1107 CB ARG A 69 4.069 3.908 11.875 1.00 0.70 C ATOM 1108 CG ARG A 69 4.950 3.922 10.630 1.00 1.19 C ATOM 1109 CD ARG A 69 6.301 3.271 10.869 1.00 0.74 C ATOM 1110 NE ARG A 69 7.171 4.096 11.706 1.00 1.08 N ATOM 1111 CZ ARG A 69 8.288 3.651 12.281 1.00 1.35 C ATOM 1112 NH1 ARG A 69 8.626 2.371 12.182 1.00 2.00 N ATOM 1113 NH2 ARG A 69 9.057 4.481 12.976 1.00 1.83 N ATOM 0 H ARG A 69 2.902 2.155 10.377 1.00 0.43 H new ATOM 0 HA ARG A 69 4.398 2.058 12.919 1.00 0.55 H new ATOM 0 HB2 ARG A 69 3.187 4.522 11.690 1.00 0.70 H new ATOM 0 HB3 ARG A 69 4.613 4.372 12.698 1.00 0.70 H new ATOM 0 HG2 ARG A 69 4.438 3.403 9.820 1.00 1.19 H new ATOM 0 HG3 ARG A 69 5.098 4.952 10.305 1.00 1.19 H new ATOM 0 HD2 ARG A 69 6.156 2.301 11.344 1.00 0.74 H new ATOM 0 HD3 ARG A 69 6.788 3.087 9.912 1.00 0.74 H new ATOM 0 HE ARG A 69 6.907 5.069 11.859 1.00 1.08 H new ATOM 0 HH11 ARG A 69 8.030 1.725 11.665 1.00 2.00 H new ATOM 0 HH12 ARG A 69 9.482 2.034 12.623 1.00 2.00 H new ATOM 0 HH21 ARG A 69 8.793 5.462 13.071 1.00 1.83 H new ATOM 0 HH22 ARG A 69 9.911 4.138 13.415 1.00 1.83 H new ATOM 1127 N LYS A 70 1.195 2.620 12.394 1.00 0.39 N ATOM 1128 CA LYS A 70 -0.125 2.733 13.011 1.00 0.41 C ATOM 1129 C LYS A 70 -1.182 2.006 12.179 1.00 0.35 C ATOM 1130 O LYS A 70 -1.278 2.214 10.968 1.00 0.40 O ATOM 1131 CB LYS A 70 -0.521 4.208 13.160 1.00 0.53 C ATOM 1132 CG LYS A 70 -2.014 4.422 13.384 1.00 0.62 C ATOM 1133 CD LYS A 70 -2.395 5.894 13.349 1.00 0.99 C ATOM 1134 CE LYS A 70 -1.994 6.618 14.623 1.00 1.08 C ATOM 1135 NZ LYS A 70 -2.750 6.124 15.805 1.00 1.53 N ATOM 0 H LYS A 70 1.173 2.549 11.377 1.00 0.39 H new ATOM 0 HA LYS A 70 -0.073 2.270 13.996 1.00 0.41 H new ATOM 0 HB2 LYS A 70 0.028 4.640 13.996 1.00 0.53 H new ATOM 0 HB3 LYS A 70 -0.216 4.749 12.265 1.00 0.53 H new ATOM 0 HG2 LYS A 70 -2.575 3.885 12.619 1.00 0.62 H new ATOM 0 HG3 LYS A 70 -2.300 3.997 14.346 1.00 0.62 H new ATOM 0 HD2 LYS A 70 -1.916 6.372 12.495 1.00 0.99 H new ATOM 0 HD3 LYS A 70 -3.471 5.986 13.203 1.00 0.99 H new ATOM 0 HE2 LYS A 70 -0.926 6.486 14.794 1.00 1.08 H new ATOM 0 HE3 LYS A 70 -2.167 7.687 14.502 1.00 1.08 H new ATOM 0 HZ1 LYS A 70 -3.107 6.933 16.352 1.00 1.53 H new ATOM 0 HZ2 LYS A 70 -3.550 5.541 15.486 1.00 1.53 H new ATOM 0 HZ3 LYS A 70 -2.122 5.552 16.404 1.00 1.53 H new ATOM 1149 N VAL A 71 -1.962 1.152 12.834 1.00 0.35 N ATOM 1150 CA VAL A 71 -3.114 0.515 12.205 1.00 0.36 C ATOM 1151 C VAL A 71 -4.386 1.038 12.867 1.00 0.37 C ATOM 1152 O VAL A 71 -4.823 0.513 13.892 1.00 0.47 O ATOM 1153 CB VAL A 71 -3.079 -1.030 12.327 1.00 0.44 C ATOM 1154 CG1 VAL A 71 -4.246 -1.655 11.575 1.00 0.88 C ATOM 1155 CG2 VAL A 71 -1.761 -1.598 11.823 1.00 0.77 C ATOM 0 H VAL A 71 -1.816 0.884 13.807 1.00 0.35 H new ATOM 0 HA VAL A 71 -3.090 0.760 11.143 1.00 0.36 H new ATOM 0 HB VAL A 71 -3.170 -1.279 13.384 1.00 0.44 H new ATOM 0 HG11 VAL A 71 -4.203 -2.740 11.673 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -5.185 -1.290 11.992 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -4.187 -1.383 10.521 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -1.771 -2.683 11.923 1.00 0.77 H new ATOM 0 HG22 VAL A 71 -1.627 -1.331 10.775 1.00 0.77 H new ATOM 0 HG23 VAL A 71 -0.940 -1.187 12.410 1.00 0.77 H new ATOM 1165 N ASP A 72 -4.967 2.080 12.292 1.00 0.33 N ATOM 1166 CA ASP A 72 -6.086 2.765 12.928 1.00 0.36 C ATOM 1167 C ASP A 72 -7.398 2.479 12.216 1.00 0.35 C ATOM 1168 O ASP A 72 -7.944 3.364 11.551 1.00 0.40 O ATOM 1169 CB ASP A 72 -5.839 4.271 12.955 1.00 0.41 C ATOM 1170 CG ASP A 72 -5.930 4.854 14.350 1.00 0.84 C ATOM 1171 OD1 ASP A 72 -6.833 5.681 14.599 1.00 1.24 O ATOM 1172 OD2 ASP A 72 -5.121 4.463 15.216 1.00 1.42 O ATOM 0 H ASP A 72 -4.686 2.469 11.392 1.00 0.33 H new ATOM 0 HA ASP A 72 -6.162 2.387 13.948 1.00 0.36 H new ATOM 0 HB2 ASP A 72 -4.852 4.481 12.542 1.00 0.41 H new ATOM 0 HB3 ASP A 72 -6.566 4.766 12.311 1.00 0.41 H new ATOM 1177 N GLU A 73 -7.867 1.225 12.348 1.00 0.38 N ATOM 1178 CA GLU A 73 -9.175 0.768 11.833 1.00 0.39 C ATOM 1179 C GLU A 73 -9.422 1.208 10.377 1.00 0.38 C ATOM 1180 O GLU A 73 -8.506 1.680 9.703 1.00 0.56 O ATOM 1181 CB GLU A 73 -10.306 1.247 12.772 1.00 0.46 C ATOM 1182 CG GLU A 73 -10.523 2.753 12.812 1.00 0.52 C ATOM 1183 CD GLU A 73 -11.572 3.166 13.819 1.00 0.74 C ATOM 1184 OE1 GLU A 73 -11.257 3.200 15.028 1.00 0.96 O ATOM 1185 OE2 GLU A 73 -12.711 3.472 13.408 1.00 0.92 O ATOM 0 H GLU A 73 -7.343 0.489 12.821 1.00 0.38 H new ATOM 0 HA GLU A 73 -9.167 -0.322 11.820 1.00 0.39 H new ATOM 0 HB2 GLU A 73 -11.237 0.770 12.465 1.00 0.46 H new ATOM 0 HB3 GLU A 73 -10.088 0.901 13.782 1.00 0.46 H new ATOM 0 HG2 GLU A 73 -9.581 3.245 13.053 1.00 0.52 H new ATOM 0 HG3 GLU A 73 -10.820 3.099 11.822 1.00 0.52 H new ATOM 1192 N PRO A 74 -10.633 0.978 9.821 1.00 0.33 N ATOM 1193 CA PRO A 74 -11.033 1.624 8.570 1.00 0.32 C ATOM 1194 C PRO A 74 -11.063 3.140 8.718 1.00 0.31 C ATOM 1195 O PRO A 74 -12.112 3.727 8.966 1.00 0.35 O ATOM 1196 CB PRO A 74 -12.441 1.080 8.302 1.00 0.35 C ATOM 1197 CG PRO A 74 -12.519 -0.185 9.085 1.00 0.36 C ATOM 1198 CD PRO A 74 -11.659 0.028 10.299 1.00 0.38 C ATOM 0 HA PRO A 74 -10.337 1.416 7.757 1.00 0.32 H new ATOM 0 HB2 PRO A 74 -13.205 1.789 8.620 1.00 0.35 H new ATOM 0 HB3 PRO A 74 -12.598 0.897 7.239 1.00 0.35 H new ATOM 0 HG2 PRO A 74 -13.548 -0.406 9.369 1.00 0.36 H new ATOM 0 HG3 PRO A 74 -12.162 -1.031 8.497 1.00 0.36 H new ATOM 0 HD2 PRO A 74 -12.231 0.438 11.131 1.00 0.38 H new ATOM 0 HD3 PRO A 74 -11.214 -0.904 10.646 1.00 0.38 H new ATOM 1206 N ASP A 75 -9.897 3.755 8.599 1.00 0.30 N ATOM 1207 CA ASP A 75 -9.745 5.194 8.762 1.00 0.31 C ATOM 1208 C ASP A 75 -8.368 5.644 8.289 1.00 0.30 C ATOM 1209 O ASP A 75 -8.249 6.323 7.272 1.00 0.33 O ATOM 1210 CB ASP A 75 -9.950 5.603 10.225 1.00 0.34 C ATOM 1211 CG ASP A 75 -9.699 7.078 10.456 1.00 0.37 C ATOM 1212 OD1 ASP A 75 -8.660 7.420 11.064 1.00 0.40 O ATOM 1213 OD2 ASP A 75 -10.531 7.903 10.029 1.00 0.50 O ATOM 0 H ASP A 75 -9.026 3.269 8.386 1.00 0.30 H new ATOM 0 HA ASP A 75 -10.506 5.682 8.153 1.00 0.31 H new ATOM 0 HB2 ASP A 75 -10.968 5.359 10.528 1.00 0.34 H new ATOM 0 HB3 ASP A 75 -9.281 5.020 10.859 1.00 0.34 H new ATOM 1218 N THR A 76 -7.323 5.249 9.008 1.00 0.28 N ATOM 1219 CA THR A 76 -5.970 5.682 8.668 1.00 0.29 C ATOM 1220 C THR A 76 -4.935 4.596 8.935 1.00 0.29 C ATOM 1221 O THR A 76 -5.055 3.819 9.883 1.00 0.35 O ATOM 1222 CB THR A 76 -5.581 6.959 9.439 1.00 0.32 C ATOM 1223 OG1 THR A 76 -6.111 6.918 10.770 1.00 0.34 O ATOM 1224 CG2 THR A 76 -6.083 8.199 8.720 1.00 0.35 C ATOM 0 H THR A 76 -7.383 4.637 9.821 1.00 0.28 H new ATOM 0 HA THR A 76 -5.976 5.895 7.599 1.00 0.29 H new ATOM 0 HB THR A 76 -4.493 7.005 9.490 1.00 0.32 H new ATOM 0 HG1 THR A 76 -7.011 7.305 10.776 1.00 0.34 H new ATOM 0 HG21 THR A 76 -5.796 9.087 9.283 1.00 0.35 H new ATOM 0 HG22 THR A 76 -5.644 8.244 7.723 1.00 0.35 H new ATOM 0 HG23 THR A 76 -7.169 8.157 8.637 1.00 0.35 H new ATOM 1232 N LEU A 77 -3.923 4.545 8.081 1.00 0.29 N ATOM 1233 CA LEU A 77 -2.830 3.600 8.241 1.00 0.31 C ATOM 1234 C LEU A 77 -1.510 4.316 8.012 1.00 0.33 C ATOM 1235 O LEU A 77 -1.262 4.835 6.924 1.00 0.41 O ATOM 1236 CB LEU A 77 -2.929 2.427 7.249 1.00 0.33 C ATOM 1237 CG LEU A 77 -4.315 1.813 7.045 1.00 0.32 C ATOM 1238 CD1 LEU A 77 -5.129 2.642 6.066 1.00 0.74 C ATOM 1239 CD2 LEU A 77 -4.190 0.385 6.550 1.00 0.69 C ATOM 0 H LEU A 77 -3.837 5.152 7.266 1.00 0.29 H new ATOM 0 HA LEU A 77 -2.889 3.198 9.253 1.00 0.31 H new ATOM 0 HB2 LEU A 77 -2.563 2.769 6.281 1.00 0.33 H new ATOM 0 HB3 LEU A 77 -2.254 1.640 7.585 1.00 0.33 H new ATOM 0 HG LEU A 77 -4.833 1.807 8.004 1.00 0.32 H new ATOM 0 HD11 LEU A 77 -6.111 2.189 5.934 1.00 0.74 H new ATOM 0 HD12 LEU A 77 -5.245 3.654 6.455 1.00 0.74 H new ATOM 0 HD13 LEU A 77 -4.615 2.679 5.106 1.00 0.74 H new ATOM 0 HD21 LEU A 77 -5.184 -0.040 6.409 1.00 0.69 H new ATOM 0 HD22 LEU A 77 -3.653 0.374 5.601 1.00 0.69 H new ATOM 0 HD23 LEU A 77 -3.643 -0.208 7.283 1.00 0.69 H new ATOM 1251 N VAL A 78 -0.674 4.369 9.028 1.00 0.32 N ATOM 1252 CA VAL A 78 0.652 4.938 8.873 1.00 0.36 C ATOM 1253 C VAL A 78 1.622 3.814 8.550 1.00 0.34 C ATOM 1254 O VAL A 78 1.945 2.997 9.408 1.00 0.36 O ATOM 1255 CB VAL A 78 1.109 5.699 10.135 1.00 0.43 C ATOM 1256 CG1 VAL A 78 2.428 6.413 9.886 1.00 0.52 C ATOM 1257 CG2 VAL A 78 0.043 6.689 10.580 1.00 0.67 C ATOM 0 H VAL A 78 -0.886 4.028 9.966 1.00 0.32 H new ATOM 0 HA VAL A 78 0.628 5.666 8.062 1.00 0.36 H new ATOM 0 HB VAL A 78 1.259 4.972 10.934 1.00 0.43 H new ATOM 0 HG11 VAL A 78 2.731 6.943 10.789 1.00 0.52 H new ATOM 0 HG12 VAL A 78 3.192 5.683 9.620 1.00 0.52 H new ATOM 0 HG13 VAL A 78 2.308 7.126 9.070 1.00 0.52 H new ATOM 0 HG21 VAL A 78 0.385 7.215 11.471 1.00 0.67 H new ATOM 0 HG22 VAL A 78 -0.141 7.408 9.782 1.00 0.67 H new ATOM 0 HG23 VAL A 78 -0.879 6.154 10.806 1.00 0.67 H new ATOM 1267 N ILE A 79 2.036 3.749 7.299 1.00 0.35 N ATOM 1268 CA ILE A 79 2.791 2.612 6.791 1.00 0.39 C ATOM 1269 C ILE A 79 4.073 3.066 6.084 1.00 0.40 C ATOM 1270 O ILE A 79 4.043 3.966 5.256 1.00 0.43 O ATOM 1271 CB ILE A 79 1.883 1.762 5.849 1.00 0.48 C ATOM 1272 CG1 ILE A 79 2.674 1.051 4.751 1.00 0.75 C ATOM 1273 CG2 ILE A 79 0.792 2.620 5.231 1.00 0.52 C ATOM 1274 CD1 ILE A 79 3.543 -0.069 5.253 1.00 0.67 C ATOM 0 H ILE A 79 1.861 4.477 6.607 1.00 0.35 H new ATOM 0 HA ILE A 79 3.100 1.989 7.630 1.00 0.39 H new ATOM 0 HB ILE A 79 1.427 0.992 6.472 1.00 0.48 H new ATOM 0 HG12 ILE A 79 1.976 0.654 4.014 1.00 0.75 H new ATOM 0 HG13 ILE A 79 3.300 1.781 4.237 1.00 0.75 H new ATOM 0 HG21 ILE A 79 0.172 2.006 4.578 1.00 0.52 H new ATOM 0 HG22 ILE A 79 0.175 3.048 6.021 1.00 0.52 H new ATOM 0 HG23 ILE A 79 1.246 3.423 4.650 1.00 0.52 H new ATOM 0 HD11 ILE A 79 4.071 -0.523 4.415 1.00 0.67 H new ATOM 0 HD12 ILE A 79 4.266 0.324 5.968 1.00 0.67 H new ATOM 0 HD13 ILE A 79 2.922 -0.821 5.741 1.00 0.67 H new ATOM 1286 N GLY A 80 5.200 2.453 6.441 1.00 0.42 N ATOM 1287 CA GLY A 80 6.469 2.769 5.800 1.00 0.46 C ATOM 1288 C GLY A 80 6.791 1.810 4.668 1.00 0.46 C ATOM 1289 O GLY A 80 6.372 0.654 4.693 1.00 0.50 O ATOM 0 H GLY A 80 5.258 1.739 7.167 1.00 0.42 H new ATOM 0 HA2 GLY A 80 6.436 3.788 5.413 1.00 0.46 H new ATOM 0 HA3 GLY A 80 7.267 2.735 6.541 1.00 0.46 H new ATOM 1293 N TRP A 81 7.564 2.268 3.696 1.00 0.50 N ATOM 1294 CA TRP A 81 7.810 1.495 2.486 1.00 0.51 C ATOM 1295 C TRP A 81 8.966 0.525 2.669 1.00 0.53 C ATOM 1296 O TRP A 81 10.035 0.892 3.160 1.00 0.81 O ATOM 1297 CB TRP A 81 8.111 2.434 1.323 1.00 0.74 C ATOM 1298 CG TRP A 81 8.174 1.755 -0.003 1.00 0.80 C ATOM 1299 CD1 TRP A 81 9.269 1.614 -0.805 1.00 0.74 C ATOM 1300 CD2 TRP A 81 7.090 1.122 -0.678 1.00 1.40 C ATOM 1301 NE1 TRP A 81 8.932 0.933 -1.948 1.00 0.88 N ATOM 1302 CE2 TRP A 81 7.593 0.621 -1.893 1.00 1.44 C ATOM 1303 CE3 TRP A 81 5.739 0.933 -0.372 1.00 2.08 C ATOM 1304 CZ2 TRP A 81 6.790 -0.056 -2.799 1.00 2.12 C ATOM 1305 CZ3 TRP A 81 4.944 0.260 -1.273 1.00 2.78 C ATOM 1306 CH2 TRP A 81 5.471 -0.227 -2.473 1.00 2.79 C ATOM 0 H TRP A 81 8.033 3.173 3.720 1.00 0.50 H new ATOM 0 HA TRP A 81 6.912 0.916 2.272 1.00 0.51 H new ATOM 0 HB2 TRP A 81 7.345 3.209 1.287 1.00 0.74 H new ATOM 0 HB3 TRP A 81 9.062 2.934 1.509 1.00 0.74 H new ATOM 0 HD1 TRP A 81 10.257 1.984 -0.574 1.00 0.74 H new ATOM 0 HE1 TRP A 81 9.568 0.698 -2.710 1.00 0.88 H new ATOM 0 HE3 TRP A 81 5.327 1.308 0.553 1.00 2.08 H new ATOM 0 HZ2 TRP A 81 7.190 -0.435 -3.728 1.00 2.12 H new ATOM 0 HZ3 TRP A 81 3.899 0.106 -1.049 1.00 2.78 H new ATOM 0 HH2 TRP A 81 4.822 -0.751 -3.159 1.00 2.79 H new ATOM 1317 N ARG A 82 8.748 -0.710 2.255 1.00 0.54 N ATOM 1318 CA ARG A 82 9.774 -1.732 2.333 1.00 0.74 C ATOM 1319 C ARG A 82 9.777 -2.555 1.048 1.00 0.81 C ATOM 1320 O ARG A 82 10.135 -3.735 1.049 1.00 1.47 O ATOM 1321 CB ARG A 82 9.548 -2.611 3.569 1.00 1.06 C ATOM 1322 CG ARG A 82 10.838 -3.099 4.207 1.00 1.64 C ATOM 1323 CD ARG A 82 10.643 -3.441 5.675 1.00 2.68 C ATOM 1324 NE ARG A 82 11.906 -3.415 6.413 1.00 3.63 N ATOM 1325 CZ ARG A 82 12.013 -3.064 7.697 1.00 4.53 C ATOM 1326 NH1 ARG A 82 10.927 -2.810 8.414 1.00 4.80 N ATOM 1327 NH2 ARG A 82 13.205 -2.982 8.270 1.00 5.46 N ATOM 0 H ARG A 82 7.864 -1.030 1.859 1.00 0.54 H new ATOM 0 HA ARG A 82 10.753 -1.264 2.436 1.00 0.74 H new ATOM 0 HB2 ARG A 82 8.977 -2.047 4.307 1.00 1.06 H new ATOM 0 HB3 ARG A 82 8.942 -3.472 3.287 1.00 1.06 H new ATOM 0 HG2 ARG A 82 11.199 -3.978 3.673 1.00 1.64 H new ATOM 0 HG3 ARG A 82 11.605 -2.331 4.111 1.00 1.64 H new ATOM 0 HD2 ARG A 82 9.946 -2.733 6.123 1.00 2.68 H new ATOM 0 HD3 ARG A 82 10.193 -4.430 5.761 1.00 2.68 H new ATOM 0 HE ARG A 82 12.756 -3.681 5.917 1.00 3.63 H new ATOM 0 HH11 ARG A 82 10.004 -2.882 7.985 1.00 4.80 H new ATOM 0 HH12 ARG A 82 11.014 -2.542 9.394 1.00 4.80 H new ATOM 0 HH21 ARG A 82 14.046 -3.187 7.730 1.00 5.46 H new ATOM 0 HH22 ARG A 82 13.282 -2.713 9.251 1.00 5.46 H new ATOM 1341 N LEU A 83 9.362 -1.895 -0.047 1.00 0.79 N ATOM 1342 CA LEU A 83 9.432 -2.448 -1.406 1.00 0.86 C ATOM 1343 C LEU A 83 8.319 -3.461 -1.674 1.00 0.81 C ATOM 1344 O LEU A 83 7.638 -3.891 -0.763 1.00 1.21 O ATOM 1345 CB LEU A 83 10.797 -3.097 -1.636 1.00 1.23 C ATOM 1346 CG LEU A 83 11.121 -3.437 -3.081 1.00 1.13 C ATOM 1347 CD1 LEU A 83 11.354 -2.163 -3.873 1.00 1.55 C ATOM 1348 CD2 LEU A 83 12.322 -4.356 -3.141 1.00 1.28 C ATOM 0 H LEU A 83 8.966 -0.956 -0.011 1.00 0.79 H new ATOM 0 HA LEU A 83 9.296 -1.621 -2.103 1.00 0.86 H new ATOM 0 HB2 LEU A 83 11.568 -2.426 -1.257 1.00 1.23 H new ATOM 0 HB3 LEU A 83 10.850 -4.011 -1.045 1.00 1.23 H new ATOM 0 HG LEU A 83 10.277 -3.961 -3.529 1.00 1.13 H new ATOM 0 HD11 LEU A 83 11.586 -2.415 -4.908 1.00 1.55 H new ATOM 0 HD12 LEU A 83 10.456 -1.546 -3.842 1.00 1.55 H new ATOM 0 HD13 LEU A 83 12.188 -1.612 -3.438 1.00 1.55 H new ATOM 0 HD21 LEU A 83 12.546 -4.594 -4.181 1.00 1.28 H new ATOM 0 HD22 LEU A 83 13.181 -3.862 -2.688 1.00 1.28 H new ATOM 0 HD23 LEU A 83 12.104 -5.275 -2.597 1.00 1.28 H new ATOM 1360 N ASN A 84 8.130 -3.825 -2.944 1.00 0.76 N ATOM 1361 CA ASN A 84 7.185 -4.886 -3.305 1.00 1.00 C ATOM 1362 C ASN A 84 7.851 -6.250 -3.132 1.00 1.25 C ATOM 1363 O ASN A 84 7.279 -7.281 -3.482 1.00 1.93 O ATOM 1364 CB ASN A 84 6.690 -4.748 -4.760 1.00 1.26 C ATOM 1365 CG ASN A 84 6.067 -3.394 -5.074 1.00 1.08 C ATOM 1366 OD1 ASN A 84 6.443 -2.379 -4.507 1.00 1.81 O ATOM 1367 ND2 ASN A 84 5.121 -3.360 -6.005 1.00 0.94 N ATOM 0 H ASN A 84 8.615 -3.404 -3.736 1.00 0.76 H new ATOM 0 HA ASN A 84 6.323 -4.796 -2.643 1.00 1.00 H new ATOM 0 HB2 ASN A 84 7.528 -4.917 -5.436 1.00 1.26 H new ATOM 0 HB3 ASN A 84 5.957 -5.529 -4.960 1.00 1.26 H new ATOM 0 HD21 ASN A 84 4.690 -2.472 -6.262 1.00 0.94 H new ATOM 0 HD22 ASN A 84 4.825 -4.222 -6.463 1.00 0.94 H new ATOM 1374 N GLY A 85 9.074 -6.233 -2.600 1.00 1.69 N ATOM 1375 CA GLY A 85 9.830 -7.455 -2.387 1.00 2.21 C ATOM 1376 C GLY A 85 10.069 -8.235 -3.664 1.00 1.96 C ATOM 1377 O GLY A 85 10.018 -9.463 -3.663 1.00 2.40 O ATOM 0 H GLY A 85 9.557 -5.383 -2.310 1.00 1.69 H new ATOM 0 HA2 GLY A 85 10.790 -7.207 -1.934 1.00 2.21 H new ATOM 0 HA3 GLY A 85 9.296 -8.087 -1.677 1.00 2.21 H new ATOM 1381 N PHE A 86 10.330 -7.527 -4.757 1.00 1.79 N ATOM 1382 CA PHE A 86 10.514 -8.179 -6.047 1.00 2.29 C ATOM 1383 C PHE A 86 11.678 -7.576 -6.833 1.00 2.14 C ATOM 1384 O PHE A 86 11.516 -6.582 -7.542 1.00 2.77 O ATOM 1385 CB PHE A 86 9.229 -8.077 -6.866 1.00 3.16 C ATOM 1386 CG PHE A 86 9.264 -8.835 -8.162 1.00 3.79 C ATOM 1387 CD1 PHE A 86 9.158 -10.216 -8.172 1.00 4.45 C ATOM 1388 CD2 PHE A 86 9.405 -8.170 -9.367 1.00 4.03 C ATOM 1389 CE1 PHE A 86 9.195 -10.919 -9.360 1.00 5.26 C ATOM 1390 CE2 PHE A 86 9.443 -8.868 -10.558 1.00 4.80 C ATOM 1391 CZ PHE A 86 9.317 -10.233 -10.562 1.00 5.38 C ATOM 0 H PHE A 86 10.418 -6.511 -4.776 1.00 1.79 H new ATOM 0 HA PHE A 86 10.751 -9.226 -5.857 1.00 2.29 H new ATOM 0 HB2 PHE A 86 8.398 -8.445 -6.265 1.00 3.16 H new ATOM 0 HB3 PHE A 86 9.028 -7.027 -7.077 1.00 3.16 H new ATOM 0 HD1 PHE A 86 9.045 -10.749 -7.240 1.00 4.45 H new ATOM 0 HD2 PHE A 86 9.486 -7.093 -9.376 1.00 4.03 H new ATOM 0 HE1 PHE A 86 9.129 -11.997 -9.355 1.00 5.26 H new ATOM 0 HE2 PHE A 86 9.572 -8.337 -11.489 1.00 4.80 H new ATOM 0 HZ PHE A 86 9.313 -10.774 -11.497 1.00 5.38 H new ATOM 1401 N GLY A 87 12.854 -8.155 -6.649 1.00 1.90 N ATOM 1402 CA GLY A 87 14.002 -7.868 -7.504 1.00 2.08 C ATOM 1403 C GLY A 87 14.555 -6.458 -7.375 1.00 1.87 C ATOM 1404 O GLY A 87 15.494 -6.089 -8.085 1.00 2.30 O ATOM 0 H GLY A 87 13.042 -8.832 -5.910 1.00 1.90 H new ATOM 0 HA2 GLY A 87 14.796 -8.578 -7.272 1.00 2.08 H new ATOM 0 HA3 GLY A 87 13.716 -8.038 -8.542 1.00 2.08 H new ATOM 1408 N ARG A 88 13.986 -5.665 -6.487 1.00 1.33 N ATOM 1409 CA ARG A 88 14.423 -4.292 -6.299 1.00 1.18 C ATOM 1410 C ARG A 88 15.064 -4.125 -4.925 1.00 1.09 C ATOM 1411 O ARG A 88 15.222 -5.096 -4.184 1.00 1.21 O ATOM 1412 CB ARG A 88 13.237 -3.332 -6.450 1.00 0.98 C ATOM 1413 CG ARG A 88 12.633 -3.273 -7.852 1.00 1.64 C ATOM 1414 CD ARG A 88 13.604 -2.739 -8.895 1.00 2.32 C ATOM 1415 NE ARG A 88 14.588 -3.734 -9.306 1.00 3.00 N ATOM 1416 CZ ARG A 88 15.178 -3.759 -10.500 1.00 3.96 C ATOM 1417 NH1 ARG A 88 14.911 -2.829 -11.412 1.00 4.44 N ATOM 1418 NH2 ARG A 88 16.038 -4.724 -10.781 1.00 4.77 N ATOM 0 H ARG A 88 13.216 -5.949 -5.881 1.00 1.33 H new ATOM 0 HA ARG A 88 15.164 -4.055 -7.062 1.00 1.18 H new ATOM 0 HB2 ARG A 88 12.458 -3.626 -5.747 1.00 0.98 H new ATOM 0 HB3 ARG A 88 13.560 -2.330 -6.167 1.00 0.98 H new ATOM 0 HG2 ARG A 88 12.308 -4.272 -8.144 1.00 1.64 H new ATOM 0 HG3 ARG A 88 11.745 -2.641 -7.833 1.00 1.64 H new ATOM 0 HD2 ARG A 88 13.045 -2.404 -9.769 1.00 2.32 H new ATOM 0 HD3 ARG A 88 14.120 -1.867 -8.493 1.00 2.32 H new ATOM 0 HE ARG A 88 14.841 -4.459 -8.635 1.00 3.00 H new ATOM 0 HH11 ARG A 88 14.247 -2.084 -11.201 1.00 4.44 H new ATOM 0 HH12 ARG A 88 15.370 -2.861 -12.322 1.00 4.44 H new ATOM 0 HH21 ARG A 88 16.245 -5.441 -10.086 1.00 4.77 H new ATOM 0 HH22 ARG A 88 16.494 -4.751 -11.693 1.00 4.77 H new ATOM 1432 N ILE A 89 15.435 -2.900 -4.602 1.00 1.08 N ATOM 1433 CA ILE A 89 16.020 -2.581 -3.305 1.00 1.08 C ATOM 1434 C ILE A 89 14.969 -1.931 -2.398 1.00 1.04 C ATOM 1435 O ILE A 89 14.201 -1.074 -2.843 1.00 1.15 O ATOM 1436 CB ILE A 89 17.264 -1.664 -3.487 1.00 1.29 C ATOM 1437 CG1 ILE A 89 17.771 -1.092 -2.152 1.00 1.86 C ATOM 1438 CG2 ILE A 89 16.965 -0.543 -4.474 1.00 1.11 C ATOM 1439 CD1 ILE A 89 17.103 0.204 -1.726 1.00 1.70 C ATOM 0 H ILE A 89 15.342 -2.098 -5.226 1.00 1.08 H new ATOM 0 HA ILE A 89 16.353 -3.501 -2.825 1.00 1.08 H new ATOM 0 HB ILE A 89 18.063 -2.286 -3.891 1.00 1.29 H new ATOM 0 HG12 ILE A 89 17.619 -1.837 -1.371 1.00 1.86 H new ATOM 0 HG13 ILE A 89 18.845 -0.924 -2.228 1.00 1.86 H new ATOM 0 HG21 ILE A 89 17.847 0.087 -4.587 1.00 1.11 H new ATOM 0 HG22 ILE A 89 16.698 -0.971 -5.440 1.00 1.11 H new ATOM 0 HG23 ILE A 89 16.135 0.058 -4.102 1.00 1.11 H new ATOM 0 HD11 ILE A 89 17.522 0.534 -0.775 1.00 1.70 H new ATOM 0 HD12 ILE A 89 17.276 0.969 -2.483 1.00 1.70 H new ATOM 0 HD13 ILE A 89 16.031 0.041 -1.613 1.00 1.70 H new ATOM 1451 N ASP A 90 14.924 -2.351 -1.136 1.00 1.05 N ATOM 1452 CA ASP A 90 13.973 -1.796 -0.180 1.00 1.15 C ATOM 1453 C ASP A 90 14.639 -0.724 0.669 1.00 1.01 C ATOM 1454 O ASP A 90 15.806 -0.850 1.048 1.00 1.14 O ATOM 1455 CB ASP A 90 13.383 -2.892 0.717 1.00 1.54 C ATOM 1456 CG ASP A 90 14.413 -3.551 1.613 1.00 2.36 C ATOM 1457 OD1 ASP A 90 14.443 -3.239 2.822 1.00 2.64 O ATOM 1458 OD2 ASP A 90 15.197 -4.380 1.114 1.00 3.18 O ATOM 0 H ASP A 90 15.535 -3.073 -0.753 1.00 1.05 H new ATOM 0 HA ASP A 90 13.157 -1.345 -0.744 1.00 1.15 H new ATOM 0 HB2 ASP A 90 12.596 -2.461 1.336 1.00 1.54 H new ATOM 0 HB3 ASP A 90 12.916 -3.652 0.091 1.00 1.54 H new ATOM 1463 N PRO A 91 13.912 0.367 0.945 1.00 1.32 N ATOM 1464 CA PRO A 91 14.417 1.472 1.765 1.00 1.52 C ATOM 1465 C PRO A 91 14.756 1.020 3.178 1.00 1.24 C ATOM 1466 O PRO A 91 15.800 1.389 3.718 1.00 1.58 O ATOM 1467 CB PRO A 91 13.255 2.467 1.789 1.00 2.16 C ATOM 1468 CG PRO A 91 12.406 2.100 0.620 1.00 2.36 C ATOM 1469 CD PRO A 91 12.545 0.616 0.465 1.00 1.92 C ATOM 0 HA PRO A 91 15.339 1.891 1.362 1.00 1.52 H new ATOM 0 HB2 PRO A 91 12.694 2.396 2.721 1.00 2.16 H new ATOM 0 HB3 PRO A 91 13.613 3.493 1.710 1.00 2.16 H new ATOM 0 HG2 PRO A 91 11.366 2.380 0.789 1.00 2.36 H new ATOM 0 HG3 PRO A 91 12.734 2.620 -0.280 1.00 2.36 H new ATOM 0 HD2 PRO A 91 11.804 0.076 1.055 1.00 1.92 H new ATOM 0 HD3 PRO A 91 12.417 0.303 -0.571 1.00 1.92 H new ATOM 1477 N ASP A 92 13.837 0.251 3.772 1.00 1.06 N ATOM 1478 CA ASP A 92 14.038 -0.398 5.075 1.00 1.34 C ATOM 1479 C ASP A 92 13.987 0.592 6.240 1.00 1.18 C ATOM 1480 O ASP A 92 13.390 0.318 7.280 1.00 1.61 O ATOM 1481 CB ASP A 92 15.368 -1.170 5.081 1.00 1.93 C ATOM 1482 CG ASP A 92 15.798 -1.622 6.462 1.00 2.60 C ATOM 1483 OD1 ASP A 92 15.497 -2.776 6.840 1.00 2.98 O ATOM 1484 OD2 ASP A 92 16.416 -0.816 7.192 1.00 2.99 O ATOM 0 H ASP A 92 12.924 0.059 3.359 1.00 1.06 H new ATOM 0 HA ASP A 92 13.213 -1.095 5.219 1.00 1.34 H new ATOM 0 HB2 ASP A 92 15.276 -2.042 4.434 1.00 1.93 H new ATOM 0 HB3 ASP A 92 16.148 -0.538 4.655 1.00 1.93 H new ATOM 1489 N ASN A 93 14.587 1.748 6.037 1.00 1.06 N ATOM 1490 CA ASN A 93 14.821 2.711 7.098 1.00 1.26 C ATOM 1491 C ASN A 93 13.558 3.479 7.492 1.00 1.04 C ATOM 1492 O ASN A 93 13.360 3.780 8.671 1.00 1.49 O ATOM 1493 CB ASN A 93 15.928 3.667 6.653 1.00 1.65 C ATOM 1494 CG ASN A 93 15.483 4.655 5.589 1.00 2.22 C ATOM 1495 OD1 ASN A 93 15.059 5.769 5.893 1.00 3.06 O ATOM 1496 ND2 ASN A 93 15.562 4.244 4.333 1.00 2.21 N ATOM 0 H ASN A 93 14.929 2.049 5.124 1.00 1.06 H new ATOM 0 HA ASN A 93 15.128 2.168 7.992 1.00 1.26 H new ATOM 0 HB2 ASN A 93 16.292 4.218 7.520 1.00 1.65 H new ATOM 0 HB3 ASN A 93 16.767 3.086 6.270 1.00 1.65 H new ATOM 0 HD21 ASN A 93 15.265 4.859 3.575 1.00 2.21 H new ATOM 0 HD22 ASN A 93 15.920 3.312 4.123 1.00 2.21 H new ATOM 1503 N SER A 94 12.704 3.794 6.525 1.00 0.68 N ATOM 1504 CA SER A 94 11.486 4.534 6.820 1.00 0.77 C ATOM 1505 C SER A 94 10.497 4.486 5.655 1.00 0.72 C ATOM 1506 O SER A 94 9.735 3.529 5.517 1.00 1.22 O ATOM 1507 CB SER A 94 11.817 5.990 7.186 1.00 1.19 C ATOM 1508 OG SER A 94 12.584 6.619 6.167 1.00 1.85 O ATOM 0 H SER A 94 12.831 3.552 5.542 1.00 0.68 H new ATOM 0 HA SER A 94 11.009 4.055 7.675 1.00 0.77 H new ATOM 0 HB2 SER A 94 10.893 6.546 7.344 1.00 1.19 H new ATOM 0 HB3 SER A 94 12.368 6.014 8.126 1.00 1.19 H new ATOM 0 HG SER A 94 13.394 6.095 5.997 1.00 1.85 H new ATOM 1514 N SER A 95 10.539 5.521 4.812 1.00 0.60 N ATOM 1515 CA SER A 95 9.603 5.679 3.709 1.00 0.67 C ATOM 1516 C SER A 95 8.164 5.647 4.215 1.00 0.70 C ATOM 1517 O SER A 95 7.246 5.242 3.508 1.00 1.27 O ATOM 1518 CB SER A 95 9.845 4.595 2.672 1.00 0.93 C ATOM 1519 OG SER A 95 11.176 4.635 2.206 1.00 1.44 O ATOM 0 H SER A 95 11.226 6.271 4.880 1.00 0.60 H new ATOM 0 HA SER A 95 9.765 6.650 3.240 1.00 0.67 H new ATOM 0 HB2 SER A 95 9.636 3.617 3.106 1.00 0.93 H new ATOM 0 HB3 SER A 95 9.158 4.726 1.836 1.00 0.93 H new ATOM 0 HG SER A 95 11.240 5.257 1.451 1.00 1.44 H new ATOM 1525 N GLU A 96 7.997 6.105 5.440 1.00 0.48 N ATOM 1526 CA GLU A 96 6.712 6.148 6.116 1.00 0.45 C ATOM 1527 C GLU A 96 5.732 7.065 5.386 1.00 0.45 C ATOM 1528 O GLU A 96 6.031 8.235 5.133 1.00 0.60 O ATOM 1529 CB GLU A 96 6.949 6.642 7.542 1.00 0.56 C ATOM 1530 CG GLU A 96 5.705 6.794 8.393 1.00 1.11 C ATOM 1531 CD GLU A 96 6.020 7.448 9.722 1.00 1.30 C ATOM 1532 OE1 GLU A 96 5.867 8.683 9.834 1.00 1.81 O ATOM 1533 OE2 GLU A 96 6.392 6.729 10.673 1.00 1.33 O ATOM 0 H GLU A 96 8.765 6.465 6.006 1.00 0.48 H new ATOM 0 HA GLU A 96 6.268 5.152 6.127 1.00 0.45 H new ATOM 0 HB2 GLU A 96 7.627 5.949 8.040 1.00 0.56 H new ATOM 0 HB3 GLU A 96 7.456 7.606 7.495 1.00 0.56 H new ATOM 0 HG2 GLU A 96 4.967 7.392 7.858 1.00 1.11 H new ATOM 0 HG3 GLU A 96 5.258 5.815 8.565 1.00 1.11 H new ATOM 1540 N PHE A 97 4.578 6.525 5.025 1.00 0.39 N ATOM 1541 CA PHE A 97 3.518 7.321 4.427 1.00 0.40 C ATOM 1542 C PHE A 97 2.221 7.152 5.195 1.00 0.41 C ATOM 1543 O PHE A 97 1.852 6.044 5.587 1.00 0.53 O ATOM 1544 CB PHE A 97 3.304 6.986 2.943 1.00 0.51 C ATOM 1545 CG PHE A 97 3.296 5.520 2.601 1.00 0.42 C ATOM 1546 CD1 PHE A 97 4.489 4.850 2.402 1.00 0.46 C ATOM 1547 CD2 PHE A 97 2.105 4.820 2.452 1.00 0.50 C ATOM 1548 CE1 PHE A 97 4.509 3.518 2.064 1.00 0.53 C ATOM 1549 CE2 PHE A 97 2.117 3.479 2.115 1.00 0.64 C ATOM 1550 CZ PHE A 97 3.322 2.828 1.918 1.00 0.63 C ATOM 0 H PHE A 97 4.352 5.537 5.136 1.00 0.39 H new ATOM 0 HA PHE A 97 3.833 8.363 4.484 1.00 0.40 H new ATOM 0 HB2 PHE A 97 2.356 7.420 2.624 1.00 0.51 H new ATOM 0 HB3 PHE A 97 4.088 7.472 2.363 1.00 0.51 H new ATOM 0 HD1 PHE A 97 5.422 5.383 2.514 1.00 0.46 H new ATOM 0 HD2 PHE A 97 1.163 5.327 2.600 1.00 0.50 H new ATOM 0 HE1 PHE A 97 5.451 3.012 1.913 1.00 0.53 H new ATOM 0 HE2 PHE A 97 1.187 2.941 2.006 1.00 0.64 H new ATOM 0 HZ PHE A 97 3.334 1.782 1.650 1.00 0.63 H new ATOM 1560 N THR A 98 1.548 8.261 5.426 1.00 0.35 N ATOM 1561 CA THR A 98 0.283 8.249 6.124 1.00 0.36 C ATOM 1562 C THR A 98 -0.862 8.074 5.137 1.00 0.33 C ATOM 1563 O THR A 98 -1.080 8.922 4.266 1.00 0.36 O ATOM 1564 CB THR A 98 0.083 9.550 6.921 1.00 0.38 C ATOM 1565 OG1 THR A 98 1.219 9.771 7.769 1.00 0.43 O ATOM 1566 CG2 THR A 98 -1.186 9.488 7.764 1.00 0.40 C ATOM 0 H THR A 98 1.861 9.188 5.137 1.00 0.35 H new ATOM 0 HA THR A 98 0.291 7.411 6.820 1.00 0.36 H new ATOM 0 HB THR A 98 -0.018 10.375 6.216 1.00 0.38 H new ATOM 0 HG1 THR A 98 1.093 10.600 8.275 1.00 0.43 H new ATOM 0 HG21 THR A 98 -1.302 10.421 8.316 1.00 0.40 H new ATOM 0 HG22 THR A 98 -2.048 9.342 7.113 1.00 0.40 H new ATOM 0 HG23 THR A 98 -1.116 8.657 8.466 1.00 0.40 H new ATOM 1574 N VAL A 99 -1.565 6.956 5.256 1.00 0.33 N ATOM 1575 CA VAL A 99 -2.723 6.689 4.430 1.00 0.35 C ATOM 1576 C VAL A 99 -3.964 7.205 5.127 1.00 0.31 C ATOM 1577 O VAL A 99 -4.397 6.648 6.135 1.00 0.32 O ATOM 1578 CB VAL A 99 -2.881 5.177 4.144 1.00 0.45 C ATOM 1579 CG1 VAL A 99 -4.120 4.909 3.309 1.00 0.75 C ATOM 1580 CG2 VAL A 99 -1.649 4.630 3.444 1.00 0.87 C ATOM 0 H VAL A 99 -1.347 6.217 5.924 1.00 0.33 H new ATOM 0 HA VAL A 99 -2.586 7.199 3.476 1.00 0.35 H new ATOM 0 HB VAL A 99 -2.993 4.667 5.101 1.00 0.45 H new ATOM 0 HG11 VAL A 99 -4.208 3.839 3.122 1.00 0.75 H new ATOM 0 HG12 VAL A 99 -5.003 5.258 3.845 1.00 0.75 H new ATOM 0 HG13 VAL A 99 -4.040 5.438 2.359 1.00 0.75 H new ATOM 0 HG21 VAL A 99 -1.782 3.565 3.253 1.00 0.87 H new ATOM 0 HG22 VAL A 99 -1.505 5.153 2.499 1.00 0.87 H new ATOM 0 HG23 VAL A 99 -0.775 4.778 4.078 1.00 0.87 H new ATOM 1590 N THR A 100 -4.524 8.277 4.598 1.00 0.31 N ATOM 1591 CA THR A 100 -5.689 8.880 5.200 1.00 0.30 C ATOM 1592 C THR A 100 -6.932 8.599 4.375 1.00 0.26 C ATOM 1593 O THR A 100 -7.128 9.188 3.312 1.00 0.28 O ATOM 1594 CB THR A 100 -5.507 10.402 5.341 1.00 0.36 C ATOM 1595 OG1 THR A 100 -4.230 10.686 5.929 1.00 0.45 O ATOM 1596 CG2 THR A 100 -6.610 11.002 6.199 1.00 0.36 C ATOM 0 H THR A 100 -4.189 8.744 3.755 1.00 0.31 H new ATOM 0 HA THR A 100 -5.810 8.440 6.190 1.00 0.30 H new ATOM 0 HB THR A 100 -5.560 10.848 4.348 1.00 0.36 H new ATOM 0 HG1 THR A 100 -4.118 11.656 6.015 1.00 0.45 H new ATOM 0 HG21 THR A 100 -6.460 12.078 6.284 1.00 0.36 H new ATOM 0 HG22 THR A 100 -7.578 10.806 5.737 1.00 0.36 H new ATOM 0 HG23 THR A 100 -6.584 10.552 7.192 1.00 0.36 H new ATOM 1604 N PHE A 101 -7.765 7.693 4.858 1.00 0.25 N ATOM 1605 CA PHE A 101 -9.038 7.436 4.220 1.00 0.24 C ATOM 1606 C PHE A 101 -10.048 8.464 4.684 1.00 0.25 C ATOM 1607 O PHE A 101 -10.549 8.392 5.806 1.00 0.31 O ATOM 1608 CB PHE A 101 -9.555 6.024 4.524 1.00 0.26 C ATOM 1609 CG PHE A 101 -8.844 4.933 3.778 1.00 0.25 C ATOM 1610 CD1 PHE A 101 -8.840 4.901 2.393 1.00 0.31 C ATOM 1611 CD2 PHE A 101 -8.169 3.940 4.467 1.00 0.28 C ATOM 1612 CE1 PHE A 101 -8.177 3.896 1.712 1.00 0.34 C ATOM 1613 CE2 PHE A 101 -7.508 2.934 3.792 1.00 0.31 C ATOM 1614 CZ PHE A 101 -7.547 2.910 2.382 1.00 0.29 C ATOM 0 H PHE A 101 -7.581 7.127 5.686 1.00 0.25 H new ATOM 0 HA PHE A 101 -8.896 7.509 3.142 1.00 0.24 H new ATOM 0 HB2 PHE A 101 -9.461 5.838 5.594 1.00 0.26 H new ATOM 0 HB3 PHE A 101 -10.617 5.979 4.285 1.00 0.26 H new ATOM 0 HD1 PHE A 101 -9.360 5.669 1.839 1.00 0.31 H new ATOM 0 HD2 PHE A 101 -8.160 3.953 5.547 1.00 0.28 H new ATOM 0 HE1 PHE A 101 -8.164 3.901 0.632 1.00 0.34 H new ATOM 0 HE2 PHE A 101 -6.967 2.174 4.337 1.00 0.31 H new ATOM 0 HZ PHE A 101 -7.074 2.104 1.841 1.00 0.29 H new ATOM 1624 N VAL A 102 -10.318 9.438 3.842 1.00 0.29 N ATOM 1625 CA VAL A 102 -11.295 10.449 4.177 1.00 0.31 C ATOM 1626 C VAL A 102 -12.658 10.019 3.666 1.00 0.30 C ATOM 1627 O VAL A 102 -12.889 9.971 2.453 1.00 0.34 O ATOM 1628 CB VAL A 102 -10.929 11.827 3.592 1.00 0.36 C ATOM 1629 CG1 VAL A 102 -11.906 12.890 4.076 1.00 0.52 C ATOM 1630 CG2 VAL A 102 -9.500 12.203 3.956 1.00 0.54 C ATOM 0 H VAL A 102 -9.879 9.551 2.928 1.00 0.29 H new ATOM 0 HA VAL A 102 -11.313 10.550 5.262 1.00 0.31 H new ATOM 0 HB VAL A 102 -10.998 11.768 2.506 1.00 0.36 H new ATOM 0 HG11 VAL A 102 -11.632 13.856 3.653 1.00 0.52 H new ATOM 0 HG12 VAL A 102 -12.915 12.628 3.758 1.00 0.52 H new ATOM 0 HG13 VAL A 102 -11.871 12.948 5.164 1.00 0.52 H new ATOM 0 HG21 VAL A 102 -9.262 13.179 3.533 1.00 0.54 H new ATOM 0 HG22 VAL A 102 -9.399 12.243 5.041 1.00 0.54 H new ATOM 0 HG23 VAL A 102 -8.814 11.457 3.555 1.00 0.54 H new ATOM 1640 N ALA A 103 -13.538 9.658 4.592 1.00 0.31 N ATOM 1641 CA ALA A 103 -14.875 9.231 4.232 1.00 0.35 C ATOM 1642 C ALA A 103 -15.571 10.321 3.439 1.00 0.39 C ATOM 1643 O ALA A 103 -15.676 11.460 3.896 1.00 0.44 O ATOM 1644 CB ALA A 103 -15.693 8.891 5.464 1.00 0.44 C ATOM 0 H ALA A 103 -13.346 9.654 5.594 1.00 0.31 H new ATOM 0 HA ALA A 103 -14.789 8.333 3.620 1.00 0.35 H new ATOM 0 HB1 ALA A 103 -16.691 8.574 5.162 1.00 0.44 H new ATOM 0 HB2 ALA A 103 -15.207 8.084 6.012 1.00 0.44 H new ATOM 0 HB3 ALA A 103 -15.770 9.770 6.104 1.00 0.44 H new ATOM 1650 N ASP A 104 -16.037 9.974 2.260 1.00 0.48 N ATOM 1651 CA ASP A 104 -16.693 10.932 1.402 1.00 0.57 C ATOM 1652 C ASP A 104 -18.175 10.612 1.348 1.00 0.64 C ATOM 1653 O ASP A 104 -18.599 9.646 0.701 1.00 0.73 O ATOM 1654 CB ASP A 104 -16.070 10.905 0.008 1.00 0.58 C ATOM 1655 CG ASP A 104 -16.430 12.121 -0.812 1.00 1.21 C ATOM 1656 OD1 ASP A 104 -15.867 13.203 -0.548 1.00 1.34 O ATOM 1657 OD2 ASP A 104 -17.256 11.998 -1.739 1.00 2.03 O ATOM 0 H ASP A 104 -15.973 9.032 1.874 1.00 0.48 H new ATOM 0 HA ASP A 104 -16.564 11.938 1.801 1.00 0.57 H new ATOM 0 HB2 ASP A 104 -14.986 10.841 0.100 1.00 0.58 H new ATOM 0 HB3 ASP A 104 -16.399 10.008 -0.516 1.00 0.58 H new ATOM 1662 N GLY A 105 -18.951 11.399 2.073 1.00 0.71 N ATOM 1663 CA GLY A 105 -20.359 11.118 2.218 1.00 0.83 C ATOM 1664 C GLY A 105 -20.578 9.905 3.090 1.00 1.06 C ATOM 1665 O GLY A 105 -20.386 9.962 4.308 1.00 1.97 O ATOM 0 H GLY A 105 -18.628 12.232 2.566 1.00 0.71 H new ATOM 0 HA2 GLY A 105 -20.863 11.980 2.654 1.00 0.83 H new ATOM 0 HA3 GLY A 105 -20.804 10.951 1.237 1.00 0.83 H new ATOM 1669 N GLN A 106 -20.958 8.800 2.470 1.00 1.24 N ATOM 1670 CA GLN A 106 -21.114 7.545 3.187 1.00 2.07 C ATOM 1671 C GLN A 106 -20.913 6.352 2.252 1.00 1.73 C ATOM 1672 O GLN A 106 -20.837 5.210 2.697 1.00 2.51 O ATOM 1673 CB GLN A 106 -22.495 7.480 3.852 1.00 2.98 C ATOM 1674 CG GLN A 106 -22.638 6.365 4.884 1.00 3.83 C ATOM 1675 CD GLN A 106 -21.887 6.634 6.184 1.00 4.45 C ATOM 1676 OE1 GLN A 106 -22.292 6.165 7.249 1.00 4.84 O ATOM 1677 NE2 GLN A 106 -20.802 7.394 6.121 1.00 4.93 N ATOM 0 H GLN A 106 -21.164 8.746 1.472 1.00 1.24 H new ATOM 0 HA GLN A 106 -20.350 7.498 3.963 1.00 2.07 H new ATOM 0 HB2 GLN A 106 -22.699 8.436 4.335 1.00 2.98 H new ATOM 0 HB3 GLN A 106 -23.252 7.345 3.080 1.00 2.98 H new ATOM 0 HG2 GLN A 106 -23.695 6.223 5.108 1.00 3.83 H new ATOM 0 HG3 GLN A 106 -22.275 5.433 4.451 1.00 3.83 H new ATOM 0 HE21 GLN A 106 -20.492 7.767 5.224 1.00 4.93 H new ATOM 0 HE22 GLN A 106 -20.277 7.605 6.970 1.00 4.93 H new ATOM 1686 N LYS A 107 -20.827 6.614 0.956 1.00 0.73 N ATOM 1687 CA LYS A 107 -20.650 5.542 -0.018 1.00 0.48 C ATOM 1688 C LYS A 107 -19.362 5.733 -0.799 1.00 0.38 C ATOM 1689 O LYS A 107 -19.027 4.933 -1.669 1.00 0.47 O ATOM 1690 CB LYS A 107 -21.828 5.504 -0.988 1.00 0.72 C ATOM 1691 CG LYS A 107 -23.186 5.617 -0.309 1.00 1.55 C ATOM 1692 CD LYS A 107 -24.311 5.766 -1.320 1.00 2.23 C ATOM 1693 CE LYS A 107 -24.575 4.467 -2.064 1.00 2.95 C ATOM 1694 NZ LYS A 107 -25.102 3.407 -1.162 1.00 3.53 N ATOM 0 H LYS A 107 -20.876 7.551 0.555 1.00 0.73 H new ATOM 0 HA LYS A 107 -20.600 4.599 0.526 1.00 0.48 H new ATOM 0 HB2 LYS A 107 -21.722 6.317 -1.706 1.00 0.72 H new ATOM 0 HB3 LYS A 107 -21.791 4.573 -1.554 1.00 0.72 H new ATOM 0 HG2 LYS A 107 -23.362 4.732 0.303 1.00 1.55 H new ATOM 0 HG3 LYS A 107 -23.186 6.474 0.364 1.00 1.55 H new ATOM 0 HD2 LYS A 107 -25.220 6.084 -0.809 1.00 2.23 H new ATOM 0 HD3 LYS A 107 -24.057 6.549 -2.034 1.00 2.23 H new ATOM 0 HE2 LYS A 107 -25.289 4.648 -2.867 1.00 2.95 H new ATOM 0 HE3 LYS A 107 -23.652 4.121 -2.530 1.00 2.95 H new ATOM 0 HZ1 LYS A 107 -25.535 2.651 -1.730 1.00 3.53 H new ATOM 0 HZ2 LYS A 107 -24.323 3.013 -0.597 1.00 3.53 H new ATOM 0 HZ3 LYS A 107 -25.818 3.815 -0.527 1.00 3.53 H new ATOM 1708 N LYS A 108 -18.641 6.794 -0.488 1.00 0.32 N ATOM 1709 CA LYS A 108 -17.394 7.083 -1.157 1.00 0.29 C ATOM 1710 C LYS A 108 -16.310 7.286 -0.114 1.00 0.27 C ATOM 1711 O LYS A 108 -16.607 7.532 1.055 1.00 0.28 O ATOM 1712 CB LYS A 108 -17.522 8.341 -2.021 1.00 0.33 C ATOM 1713 CG LYS A 108 -17.311 8.106 -3.509 1.00 0.50 C ATOM 1714 CD LYS A 108 -18.518 7.448 -4.156 1.00 1.09 C ATOM 1715 CE LYS A 108 -18.312 7.274 -5.653 1.00 1.62 C ATOM 1716 NZ LYS A 108 -19.543 6.803 -6.337 1.00 2.44 N ATOM 0 H LYS A 108 -18.903 7.471 0.228 1.00 0.32 H new ATOM 0 HA LYS A 108 -17.136 6.246 -1.806 1.00 0.29 H new ATOM 0 HB2 LYS A 108 -18.512 8.771 -1.870 1.00 0.33 H new ATOM 0 HB3 LYS A 108 -16.798 9.079 -1.676 1.00 0.33 H new ATOM 0 HG2 LYS A 108 -17.109 9.057 -4.002 1.00 0.50 H new ATOM 0 HG3 LYS A 108 -16.433 7.478 -3.656 1.00 0.50 H new ATOM 0 HD2 LYS A 108 -18.697 6.476 -3.695 1.00 1.09 H new ATOM 0 HD3 LYS A 108 -19.406 8.054 -3.976 1.00 1.09 H new ATOM 0 HE2 LYS A 108 -17.997 8.223 -6.088 1.00 1.62 H new ATOM 0 HE3 LYS A 108 -17.506 6.561 -5.827 1.00 1.62 H new ATOM 0 HZ1 LYS A 108 -19.356 6.698 -7.355 1.00 2.44 H new ATOM 0 HZ2 LYS A 108 -19.830 5.885 -5.942 1.00 2.44 H new ATOM 0 HZ3 LYS A 108 -20.306 7.495 -6.194 1.00 2.44 H new ATOM 1730 N THR A 109 -15.065 7.155 -0.520 1.00 0.26 N ATOM 1731 CA THR A 109 -13.944 7.441 0.360 1.00 0.25 C ATOM 1732 C THR A 109 -12.713 7.779 -0.454 1.00 0.26 C ATOM 1733 O THR A 109 -12.203 6.948 -1.198 1.00 0.35 O ATOM 1734 CB THR A 109 -13.637 6.263 1.304 1.00 0.26 C ATOM 1735 OG1 THR A 109 -14.738 6.069 2.189 1.00 0.39 O ATOM 1736 CG2 THR A 109 -12.375 6.511 2.116 1.00 0.42 C ATOM 0 H THR A 109 -14.800 6.851 -1.457 1.00 0.26 H new ATOM 0 HA THR A 109 -14.224 8.297 0.975 1.00 0.25 H new ATOM 0 HB THR A 109 -13.478 5.373 0.695 1.00 0.26 H new ATOM 0 HG1 THR A 109 -15.356 6.826 2.113 1.00 0.39 H new ATOM 0 HG21 THR A 109 -12.190 5.659 2.770 1.00 0.42 H new ATOM 0 HG22 THR A 109 -11.528 6.641 1.442 1.00 0.42 H new ATOM 0 HG23 THR A 109 -12.501 7.411 2.718 1.00 0.42 H new ATOM 1744 N ARG A 110 -12.261 9.008 -0.332 1.00 0.25 N ATOM 1745 CA ARG A 110 -11.095 9.448 -1.052 1.00 0.27 C ATOM 1746 C ARG A 110 -9.899 9.432 -0.112 1.00 0.26 C ATOM 1747 O ARG A 110 -9.837 10.202 0.848 1.00 0.33 O ATOM 1748 CB ARG A 110 -11.336 10.846 -1.624 1.00 0.35 C ATOM 1749 CG ARG A 110 -10.679 11.086 -2.976 1.00 0.68 C ATOM 1750 CD ARG A 110 -9.165 11.028 -2.894 1.00 0.62 C ATOM 1751 NE ARG A 110 -8.623 12.085 -2.042 1.00 1.27 N ATOM 1752 CZ ARG A 110 -7.900 13.113 -2.490 1.00 1.75 C ATOM 1753 NH1 ARG A 110 -7.657 13.254 -3.790 1.00 2.08 N ATOM 1754 NH2 ARG A 110 -7.437 14.009 -1.633 1.00 2.59 N ATOM 0 H ARG A 110 -12.687 9.719 0.262 1.00 0.25 H new ATOM 0 HA ARG A 110 -10.891 8.777 -1.887 1.00 0.27 H new ATOM 0 HB2 ARG A 110 -12.410 11.007 -1.720 1.00 0.35 H new ATOM 0 HB3 ARG A 110 -10.965 11.586 -0.915 1.00 0.35 H new ATOM 0 HG2 ARG A 110 -11.032 10.339 -3.687 1.00 0.68 H new ATOM 0 HG3 ARG A 110 -10.984 12.060 -3.359 1.00 0.68 H new ATOM 0 HD2 ARG A 110 -8.860 10.056 -2.505 1.00 0.62 H new ATOM 0 HD3 ARG A 110 -8.744 11.117 -3.895 1.00 0.62 H new ATOM 0 HE ARG A 110 -8.810 12.033 -1.041 1.00 1.27 H new ATOM 0 HH11 ARG A 110 -8.024 12.573 -4.454 1.00 2.08 H new ATOM 0 HH12 ARG A 110 -7.103 14.043 -4.123 1.00 2.08 H new ATOM 0 HH21 ARG A 110 -7.634 13.911 -0.637 1.00 2.59 H new ATOM 0 HH22 ARG A 110 -6.884 14.797 -1.969 1.00 2.59 H new ATOM 1768 N VAL A 111 -8.975 8.522 -0.364 1.00 0.27 N ATOM 1769 CA VAL A 111 -7.784 8.415 0.459 1.00 0.27 C ATOM 1770 C VAL A 111 -6.714 9.370 -0.036 1.00 0.29 C ATOM 1771 O VAL A 111 -6.500 9.509 -1.246 1.00 0.32 O ATOM 1772 CB VAL A 111 -7.210 6.983 0.478 1.00 0.27 C ATOM 1773 CG1 VAL A 111 -6.805 6.551 -0.908 1.00 0.40 C ATOM 1774 CG2 VAL A 111 -6.017 6.891 1.411 1.00 0.33 C ATOM 0 H VAL A 111 -9.026 7.849 -1.129 1.00 0.27 H new ATOM 0 HA VAL A 111 -8.080 8.675 1.475 1.00 0.27 H new ATOM 0 HB VAL A 111 -7.993 6.317 0.841 1.00 0.27 H new ATOM 0 HG11 VAL A 111 -6.403 5.538 -0.871 1.00 0.40 H new ATOM 0 HG12 VAL A 111 -7.675 6.572 -1.564 1.00 0.40 H new ATOM 0 HG13 VAL A 111 -6.044 7.230 -1.293 1.00 0.40 H new ATOM 0 HG21 VAL A 111 -5.630 5.872 1.407 1.00 0.33 H new ATOM 0 HG22 VAL A 111 -5.239 7.576 1.075 1.00 0.33 H new ATOM 0 HG23 VAL A 111 -6.324 7.159 2.422 1.00 0.33 H new ATOM 1784 N ASP A 112 -6.056 10.015 0.904 1.00 0.31 N ATOM 1785 CA ASP A 112 -4.985 10.935 0.599 1.00 0.37 C ATOM 1786 C ASP A 112 -3.752 10.554 1.406 1.00 0.37 C ATOM 1787 O ASP A 112 -3.766 10.550 2.639 1.00 0.40 O ATOM 1788 CB ASP A 112 -5.437 12.361 0.898 1.00 0.50 C ATOM 1789 CG ASP A 112 -4.361 13.397 0.647 1.00 0.80 C ATOM 1790 OD1 ASP A 112 -4.175 14.288 1.495 1.00 1.12 O ATOM 1791 OD2 ASP A 112 -3.675 13.302 -0.397 1.00 1.38 O ATOM 0 H ASP A 112 -6.250 9.915 1.900 1.00 0.31 H new ATOM 0 HA ASP A 112 -4.728 10.881 -0.459 1.00 0.37 H new ATOM 0 HB2 ASP A 112 -6.307 12.595 0.284 1.00 0.50 H new ATOM 0 HB3 ASP A 112 -5.755 12.423 1.939 1.00 0.50 H new ATOM 1796 N VAL A 113 -2.714 10.175 0.690 1.00 0.38 N ATOM 1797 CA VAL A 113 -1.492 9.669 1.287 1.00 0.41 C ATOM 1798 C VAL A 113 -0.366 10.670 1.159 1.00 0.43 C ATOM 1799 O VAL A 113 -0.111 11.183 0.072 1.00 0.47 O ATOM 1800 CB VAL A 113 -1.069 8.348 0.609 1.00 0.50 C ATOM 1801 CG1 VAL A 113 0.420 8.069 0.783 1.00 0.91 C ATOM 1802 CG2 VAL A 113 -1.889 7.200 1.154 1.00 0.77 C ATOM 0 H VAL A 113 -2.693 10.209 -0.329 1.00 0.38 H new ATOM 0 HA VAL A 113 -1.692 9.494 2.344 1.00 0.41 H new ATOM 0 HB VAL A 113 -1.257 8.449 -0.460 1.00 0.50 H new ATOM 0 HG11 VAL A 113 0.674 7.130 0.291 1.00 0.91 H new ATOM 0 HG12 VAL A 113 0.997 8.880 0.338 1.00 0.91 H new ATOM 0 HG13 VAL A 113 0.655 7.997 1.845 1.00 0.91 H new ATOM 0 HG21 VAL A 113 -1.583 6.273 0.670 1.00 0.77 H new ATOM 0 HG22 VAL A 113 -1.730 7.117 2.229 1.00 0.77 H new ATOM 0 HG23 VAL A 113 -2.945 7.381 0.956 1.00 0.77 H new ATOM 1812 N GLU A 114 0.313 10.932 2.264 1.00 0.47 N ATOM 1813 CA GLU A 114 1.512 11.744 2.221 1.00 0.55 C ATOM 1814 C GLU A 114 2.733 10.889 2.509 1.00 0.60 C ATOM 1815 O GLU A 114 2.919 10.392 3.622 1.00 0.62 O ATOM 1816 CB GLU A 114 1.455 12.901 3.208 1.00 0.67 C ATOM 1817 CG GLU A 114 2.648 13.835 3.068 1.00 1.31 C ATOM 1818 CD GLU A 114 2.541 15.074 3.925 1.00 1.75 C ATOM 1819 OE1 GLU A 114 2.751 14.973 5.151 1.00 2.31 O ATOM 1820 OE2 GLU A 114 2.268 16.161 3.373 1.00 2.05 O ATOM 0 H GLU A 114 0.055 10.597 3.192 1.00 0.47 H new ATOM 0 HA GLU A 114 1.582 12.164 1.218 1.00 0.55 H new ATOM 0 HB2 GLU A 114 0.535 13.464 3.052 1.00 0.67 H new ATOM 0 HB3 GLU A 114 1.421 12.508 4.224 1.00 0.67 H new ATOM 0 HG2 GLU A 114 3.557 13.295 3.334 1.00 1.31 H new ATOM 0 HG3 GLU A 114 2.748 14.131 2.024 1.00 1.31 H new ATOM 1827 N HIS A 115 3.541 10.709 1.490 1.00 0.70 N ATOM 1828 CA HIS A 115 4.781 9.967 1.598 1.00 0.80 C ATOM 1829 C HIS A 115 5.946 10.923 1.390 1.00 0.89 C ATOM 1830 O HIS A 115 6.306 11.238 0.262 1.00 1.17 O ATOM 1831 CB HIS A 115 4.754 8.851 0.546 1.00 0.92 C ATOM 1832 CG HIS A 115 6.001 8.035 0.394 1.00 0.87 C ATOM 1833 ND1 HIS A 115 6.444 7.125 1.325 1.00 1.59 N ATOM 1834 CD2 HIS A 115 6.868 7.960 -0.636 1.00 1.36 C ATOM 1835 CE1 HIS A 115 7.529 6.530 0.864 1.00 1.64 C ATOM 1836 NE2 HIS A 115 7.806 7.018 -0.323 1.00 1.47 N ATOM 0 H HIS A 115 3.357 11.075 0.556 1.00 0.70 H new ATOM 0 HA HIS A 115 4.899 9.514 2.582 1.00 0.80 H new ATOM 0 HB2 HIS A 115 3.934 8.176 0.788 1.00 0.92 H new ATOM 0 HB3 HIS A 115 4.522 9.300 -0.420 1.00 0.92 H new ATOM 0 HD2 HIS A 115 6.828 8.541 -1.546 1.00 1.36 H new ATOM 0 HE1 HIS A 115 8.095 5.768 1.379 1.00 1.64 H new ATOM 0 HE2 HIS A 115 8.590 6.740 -0.913 1.00 1.47 H new ATOM 1845 N THR A 116 6.521 11.396 2.483 1.00 0.90 N ATOM 1846 CA THR A 116 7.553 12.414 2.402 1.00 1.08 C ATOM 1847 C THR A 116 8.603 12.227 3.490 1.00 0.83 C ATOM 1848 O THR A 116 8.424 12.668 4.626 1.00 1.67 O ATOM 1849 CB THR A 116 6.947 13.832 2.519 1.00 1.92 C ATOM 1850 OG1 THR A 116 5.904 14.007 1.552 1.00 2.67 O ATOM 1851 CG2 THR A 116 8.011 14.900 2.311 1.00 2.51 C ATOM 0 H THR A 116 6.293 11.094 3.430 1.00 0.90 H new ATOM 0 HA THR A 116 8.030 12.307 1.428 1.00 1.08 H new ATOM 0 HB THR A 116 6.536 13.937 3.523 1.00 1.92 H new ATOM 0 HG1 THR A 116 5.432 14.848 1.728 1.00 2.67 H new ATOM 0 HG21 THR A 116 7.558 15.887 2.399 1.00 2.51 H new ATOM 0 HG22 THR A 116 8.789 14.790 3.066 1.00 2.51 H new ATOM 0 HG23 THR A 116 8.449 14.789 1.319 1.00 2.51 H new ATOM 1859 N HIS A 117 9.681 11.539 3.147 1.00 0.72 N ATOM 1860 CA HIS A 117 10.822 11.410 4.049 1.00 1.13 C ATOM 1861 C HIS A 117 12.024 10.853 3.300 1.00 0.90 C ATOM 1862 O HIS A 117 12.963 11.577 2.992 1.00 0.97 O ATOM 1863 CB HIS A 117 10.478 10.509 5.248 1.00 1.98 C ATOM 1864 CG HIS A 117 11.539 10.480 6.316 1.00 2.07 C ATOM 1865 ND1 HIS A 117 11.428 11.160 7.510 1.00 2.40 N ATOM 1866 CD2 HIS A 117 12.732 9.842 6.364 1.00 2.33 C ATOM 1867 CE1 HIS A 117 12.505 10.944 8.241 1.00 2.60 C ATOM 1868 NE2 HIS A 117 13.312 10.147 7.567 1.00 2.63 N ATOM 0 H HIS A 117 9.793 11.061 2.253 1.00 0.72 H new ATOM 0 HA HIS A 117 11.069 12.401 4.429 1.00 1.13 H new ATOM 0 HB2 HIS A 117 9.542 10.851 5.689 1.00 1.98 H new ATOM 0 HB3 HIS A 117 10.310 9.493 4.890 1.00 1.98 H new ATOM 0 HD2 HIS A 117 13.150 9.209 5.595 1.00 2.33 H new ATOM 0 HE1 HIS A 117 12.694 11.350 9.224 1.00 2.60 H new ATOM 0 HE2 HIS A 117 14.220 9.812 7.889 1.00 2.63 H new ATOM 1877 N PHE A 118 11.960 9.568 2.995 1.00 0.76 N ATOM 1878 CA PHE A 118 13.062 8.858 2.359 1.00 0.76 C ATOM 1879 C PHE A 118 13.347 9.380 0.949 1.00 0.65 C ATOM 1880 O PHE A 118 14.494 9.661 0.600 1.00 0.74 O ATOM 1881 CB PHE A 118 12.720 7.364 2.340 1.00 0.97 C ATOM 1882 CG PHE A 118 13.518 6.538 1.377 1.00 1.74 C ATOM 1883 CD1 PHE A 118 14.831 6.201 1.649 1.00 2.35 C ATOM 1884 CD2 PHE A 118 12.938 6.087 0.203 1.00 2.32 C ATOM 1885 CE1 PHE A 118 15.556 5.431 0.762 1.00 3.18 C ATOM 1886 CE2 PHE A 118 13.657 5.319 -0.687 1.00 3.21 C ATOM 1887 CZ PHE A 118 14.968 4.991 -0.407 1.00 3.54 C ATOM 0 H PHE A 118 11.143 8.986 3.180 1.00 0.76 H new ATOM 0 HA PHE A 118 13.974 9.026 2.931 1.00 0.76 H new ATOM 0 HB2 PHE A 118 12.863 6.962 3.343 1.00 0.97 H new ATOM 0 HB3 PHE A 118 11.663 7.253 2.100 1.00 0.97 H new ATOM 0 HD1 PHE A 118 15.293 6.543 2.563 1.00 2.35 H new ATOM 0 HD2 PHE A 118 11.911 6.340 -0.017 1.00 2.32 H new ATOM 0 HE1 PHE A 118 16.581 5.173 0.982 1.00 3.18 H new ATOM 0 HE2 PHE A 118 13.196 4.975 -1.601 1.00 3.21 H new ATOM 0 HZ PHE A 118 15.534 4.390 -1.103 1.00 3.54 H new ATOM 1897 N ASP A 119 12.295 9.528 0.164 1.00 0.66 N ATOM 1898 CA ASP A 119 12.396 9.899 -1.245 1.00 0.75 C ATOM 1899 C ASP A 119 12.781 11.366 -1.380 1.00 0.74 C ATOM 1900 O ASP A 119 13.549 11.752 -2.262 1.00 0.83 O ATOM 1901 CB ASP A 119 11.043 9.649 -1.912 1.00 0.94 C ATOM 1902 CG ASP A 119 10.209 8.652 -1.128 1.00 1.34 C ATOM 1903 OD1 ASP A 119 10.047 7.502 -1.583 1.00 1.75 O ATOM 1904 OD2 ASP A 119 9.729 9.013 -0.022 1.00 1.81 O ATOM 0 H ASP A 119 11.336 9.394 0.485 1.00 0.66 H new ATOM 0 HA ASP A 119 13.167 9.299 -1.729 1.00 0.75 H new ATOM 0 HB2 ASP A 119 10.500 10.590 -1.998 1.00 0.94 H new ATOM 0 HB3 ASP A 119 11.199 9.277 -2.925 1.00 0.94 H new ATOM 1909 N ARG A 120 12.236 12.168 -0.477 1.00 0.76 N ATOM 1910 CA ARG A 120 12.538 13.593 -0.379 1.00 0.89 C ATOM 1911 C ARG A 120 14.039 13.850 -0.213 1.00 0.83 C ATOM 1912 O ARG A 120 14.530 14.937 -0.518 1.00 1.00 O ATOM 1913 CB ARG A 120 11.773 14.184 0.810 1.00 1.07 C ATOM 1914 CG ARG A 120 12.042 15.658 1.063 1.00 1.50 C ATOM 1915 CD ARG A 120 11.324 16.136 2.311 1.00 1.71 C ATOM 1916 NE ARG A 120 11.586 17.544 2.598 1.00 2.15 N ATOM 1917 CZ ARG A 120 11.362 18.116 3.782 1.00 2.66 C ATOM 1918 NH1 ARG A 120 10.853 17.404 4.785 1.00 2.90 N ATOM 1919 NH2 ARG A 120 11.647 19.400 3.963 1.00 3.38 N ATOM 0 H ARG A 120 11.563 11.846 0.218 1.00 0.76 H new ATOM 0 HA ARG A 120 12.227 14.073 -1.307 1.00 0.89 H new ATOM 0 HB2 ARG A 120 10.705 14.046 0.643 1.00 1.07 H new ATOM 0 HB3 ARG A 120 12.031 13.621 1.707 1.00 1.07 H new ATOM 0 HG2 ARG A 120 13.114 15.822 1.171 1.00 1.50 H new ATOM 0 HG3 ARG A 120 11.714 16.244 0.204 1.00 1.50 H new ATOM 0 HD2 ARG A 120 10.251 15.986 2.190 1.00 1.71 H new ATOM 0 HD3 ARG A 120 11.637 15.530 3.162 1.00 1.71 H new ATOM 0 HE ARG A 120 11.963 18.124 1.848 1.00 2.15 H new ATOM 0 HH11 ARG A 120 10.633 16.417 4.650 1.00 2.90 H new ATOM 0 HH12 ARG A 120 10.683 17.845 5.689 1.00 2.90 H new ATOM 0 HH21 ARG A 120 12.037 19.949 3.197 1.00 3.38 H new ATOM 0 HH22 ARG A 120 11.476 19.838 4.868 1.00 3.38 H new ATOM 1933 N MET A 121 14.771 12.839 0.240 1.00 0.73 N ATOM 1934 CA MET A 121 16.178 13.010 0.607 1.00 0.91 C ATOM 1935 C MET A 121 17.097 12.975 -0.612 1.00 1.12 C ATOM 1936 O MET A 121 18.303 12.751 -0.482 1.00 1.41 O ATOM 1937 CB MET A 121 16.610 11.941 1.609 1.00 1.05 C ATOM 1938 CG MET A 121 15.938 12.071 2.965 1.00 1.28 C ATOM 1939 SD MET A 121 16.190 13.691 3.717 1.00 2.15 S ATOM 1940 CE MET A 121 15.296 13.486 5.254 1.00 2.43 C ATOM 0 H MET A 121 14.416 11.891 0.363 1.00 0.73 H new ATOM 0 HA MET A 121 16.267 13.994 1.068 1.00 0.91 H new ATOM 0 HB2 MET A 121 16.388 10.957 1.196 1.00 1.05 H new ATOM 0 HB3 MET A 121 17.691 11.995 1.742 1.00 1.05 H new ATOM 0 HG2 MET A 121 14.869 11.889 2.855 1.00 1.28 H new ATOM 0 HG3 MET A 121 16.325 11.301 3.633 1.00 1.28 H new ATOM 0 HE1 MET A 121 15.357 14.406 5.836 1.00 2.43 H new ATOM 0 HE2 MET A 121 14.251 13.261 5.040 1.00 2.43 H new ATOM 0 HE3 MET A 121 15.734 12.666 5.823 1.00 2.43 H new ATOM 1950 N GLY A 122 16.542 13.190 -1.790 1.00 1.18 N ATOM 1951 CA GLY A 122 17.370 13.322 -2.965 1.00 1.61 C ATOM 1952 C GLY A 122 16.936 12.425 -4.095 1.00 1.21 C ATOM 1953 O GLY A 122 16.198 11.459 -3.887 1.00 1.30 O ATOM 0 H GLY A 122 15.539 13.275 -1.954 1.00 1.18 H new ATOM 0 HA2 GLY A 122 17.349 14.358 -3.303 1.00 1.61 H new ATOM 0 HA3 GLY A 122 18.403 13.093 -2.703 1.00 1.61 H new ATOM 1957 N THR A 123 17.418 12.735 -5.289 1.00 1.27 N ATOM 1958 CA THR A 123 17.087 11.970 -6.477 1.00 1.42 C ATOM 1959 C THR A 123 17.634 10.549 -6.395 1.00 1.27 C ATOM 1960 O THR A 123 17.133 9.651 -7.063 1.00 1.24 O ATOM 1961 CB THR A 123 17.625 12.659 -7.745 1.00 1.94 C ATOM 1962 OG1 THR A 123 18.988 13.063 -7.546 1.00 2.44 O ATOM 1963 CG2 THR A 123 16.779 13.870 -8.104 1.00 2.58 C ATOM 0 H THR A 123 18.046 13.520 -5.459 1.00 1.27 H new ATOM 0 HA THR A 123 16.000 11.921 -6.534 1.00 1.42 H new ATOM 0 HB THR A 123 17.576 11.945 -8.567 1.00 1.94 H new ATOM 0 HG1 THR A 123 19.322 13.498 -8.358 1.00 2.44 H new ATOM 0 HG21 THR A 123 17.179 14.340 -9.003 1.00 2.58 H new ATOM 0 HG22 THR A 123 15.751 13.555 -8.286 1.00 2.58 H new ATOM 0 HG23 THR A 123 16.799 14.585 -7.281 1.00 2.58 H new ATOM 1971 N LYS A 124 18.658 10.350 -5.571 1.00 1.28 N ATOM 1972 CA LYS A 124 19.257 9.030 -5.396 1.00 1.24 C ATOM 1973 C LYS A 124 18.284 8.083 -4.701 1.00 1.05 C ATOM 1974 O LYS A 124 18.010 6.989 -5.196 1.00 1.04 O ATOM 1975 CB LYS A 124 20.557 9.133 -4.598 1.00 1.43 C ATOM 1976 CG LYS A 124 21.610 9.987 -5.279 1.00 2.04 C ATOM 1977 CD LYS A 124 22.854 10.151 -4.422 1.00 2.45 C ATOM 1978 CE LYS A 124 23.864 11.069 -5.090 1.00 3.14 C ATOM 1979 NZ LYS A 124 23.317 12.436 -5.288 1.00 3.80 N ATOM 0 H LYS A 124 19.091 11.086 -5.013 1.00 1.28 H new ATOM 0 HA LYS A 124 19.485 8.627 -6.383 1.00 1.24 H new ATOM 0 HB2 LYS A 124 20.340 9.550 -3.615 1.00 1.43 H new ATOM 0 HB3 LYS A 124 20.958 8.132 -4.438 1.00 1.43 H new ATOM 0 HG2 LYS A 124 21.884 9.533 -6.232 1.00 2.04 H new ATOM 0 HG3 LYS A 124 21.192 10.969 -5.502 1.00 2.04 H new ATOM 0 HD2 LYS A 124 22.578 10.557 -3.449 1.00 2.45 H new ATOM 0 HD3 LYS A 124 23.307 9.176 -4.244 1.00 2.45 H new ATOM 0 HE2 LYS A 124 24.766 11.123 -4.480 1.00 3.14 H new ATOM 0 HE3 LYS A 124 24.155 10.650 -6.053 1.00 3.14 H new ATOM 0 HZ1 LYS A 124 24.098 13.102 -5.454 1.00 3.80 H new ATOM 0 HZ2 LYS A 124 22.679 12.439 -6.109 1.00 3.80 H new ATOM 0 HZ3 LYS A 124 22.790 12.725 -4.439 1.00 3.80 H new ATOM 1993 N HIS A 125 17.756 8.506 -3.559 1.00 0.96 N ATOM 1994 CA HIS A 125 16.770 7.704 -2.836 1.00 0.85 C ATOM 1995 C HIS A 125 15.532 7.483 -3.692 1.00 0.76 C ATOM 1996 O HIS A 125 15.049 6.352 -3.857 1.00 0.76 O ATOM 1997 CB HIS A 125 16.367 8.380 -1.524 1.00 0.85 C ATOM 1998 CG HIS A 125 17.401 8.307 -0.444 1.00 1.23 C ATOM 1999 ND1 HIS A 125 17.156 8.706 0.851 1.00 1.80 N ATOM 2000 CD2 HIS A 125 18.686 7.879 -0.465 1.00 1.80 C ATOM 2001 CE1 HIS A 125 18.241 8.531 1.579 1.00 2.14 C ATOM 2002 NE2 HIS A 125 19.182 8.030 0.805 1.00 2.12 N ATOM 0 H HIS A 125 17.990 9.393 -3.114 1.00 0.96 H new ATOM 0 HA HIS A 125 17.229 6.742 -2.609 1.00 0.85 H new ATOM 0 HB2 HIS A 125 16.142 9.428 -1.724 1.00 0.85 H new ATOM 0 HB3 HIS A 125 15.448 7.921 -1.161 1.00 0.85 H new ATOM 0 HD1 HIS A 125 16.271 9.080 1.194 1.00 1.80 H new ATOM 0 HD2 HIS A 125 19.220 7.492 -1.320 1.00 1.80 H new ATOM 0 HE1 HIS A 125 18.341 8.759 2.630 1.00 2.14 H new ATOM 2011 N ALA A 126 15.036 8.569 -4.254 1.00 0.77 N ATOM 2012 CA ALA A 126 13.862 8.520 -5.099 1.00 0.80 C ATOM 2013 C ALA A 126 14.100 7.625 -6.320 1.00 0.86 C ATOM 2014 O ALA A 126 13.166 7.034 -6.855 1.00 0.92 O ATOM 2015 CB ALA A 126 13.474 9.933 -5.506 1.00 0.92 C ATOM 0 H ALA A 126 15.433 9.502 -4.138 1.00 0.77 H new ATOM 0 HA ALA A 126 13.036 8.080 -4.541 1.00 0.80 H new ATOM 0 HB1 ALA A 126 12.590 9.898 -6.143 1.00 0.92 H new ATOM 0 HB2 ALA A 126 13.257 10.522 -4.615 1.00 0.92 H new ATOM 0 HB3 ALA A 126 14.297 10.393 -6.053 1.00 0.92 H new ATOM 2021 N LYS A 127 15.357 7.517 -6.744 1.00 0.92 N ATOM 2022 CA LYS A 127 15.716 6.671 -7.880 1.00 1.05 C ATOM 2023 C LYS A 127 15.719 5.191 -7.506 1.00 0.97 C ATOM 2024 O LYS A 127 15.260 4.353 -8.278 1.00 1.04 O ATOM 2025 CB LYS A 127 17.090 7.047 -8.431 1.00 1.26 C ATOM 2026 CG LYS A 127 17.438 6.324 -9.722 1.00 1.55 C ATOM 2027 CD LYS A 127 18.898 6.513 -10.096 1.00 1.93 C ATOM 2028 CE LYS A 127 19.815 5.891 -9.054 1.00 2.38 C ATOM 2029 NZ LYS A 127 21.243 5.998 -9.442 1.00 2.83 N ATOM 0 H LYS A 127 16.145 8.005 -6.318 1.00 0.92 H new ATOM 0 HA LYS A 127 14.958 6.838 -8.645 1.00 1.05 H new ATOM 0 HB2 LYS A 127 17.122 8.123 -8.605 1.00 1.26 H new ATOM 0 HB3 LYS A 127 17.848 6.823 -7.681 1.00 1.26 H new ATOM 0 HG2 LYS A 127 17.225 5.261 -9.612 1.00 1.55 H new ATOM 0 HG3 LYS A 127 16.805 6.694 -10.528 1.00 1.55 H new ATOM 0 HD2 LYS A 127 19.089 6.061 -11.069 1.00 1.93 H new ATOM 0 HD3 LYS A 127 19.118 7.576 -10.190 1.00 1.93 H new ATOM 0 HE2 LYS A 127 19.661 6.384 -8.094 1.00 2.38 H new ATOM 0 HE3 LYS A 127 19.553 4.842 -8.919 1.00 2.38 H new ATOM 0 HZ1 LYS A 127 21.836 5.563 -8.707 1.00 2.83 H new ATOM 0 HZ2 LYS A 127 21.395 5.506 -10.346 1.00 2.83 H new ATOM 0 HZ3 LYS A 127 21.500 7.000 -9.546 1.00 2.83 H new ATOM 2043 N ARG A 128 16.250 4.862 -6.330 1.00 0.94 N ATOM 2044 CA ARG A 128 16.371 3.460 -5.925 1.00 1.00 C ATOM 2045 C ARG A 128 14.990 2.820 -5.775 1.00 0.97 C ATOM 2046 O ARG A 128 14.827 1.622 -6.003 1.00 1.09 O ATOM 2047 CB ARG A 128 17.191 3.319 -4.633 1.00 1.14 C ATOM 2048 CG ARG A 128 16.522 3.924 -3.420 1.00 1.11 C ATOM 2049 CD ARG A 128 17.527 4.387 -2.383 1.00 1.34 C ATOM 2050 NE ARG A 128 18.044 3.298 -1.554 1.00 1.59 N ATOM 2051 CZ ARG A 128 19.335 3.125 -1.263 1.00 1.95 C ATOM 2052 NH1 ARG A 128 20.266 3.854 -1.864 1.00 2.14 N ATOM 2053 NH2 ARG A 128 19.695 2.195 -0.388 1.00 2.59 N ATOM 0 H ARG A 128 16.599 5.535 -5.648 1.00 0.94 H new ATOM 0 HA ARG A 128 16.908 2.929 -6.711 1.00 1.00 H new ATOM 0 HB2 ARG A 128 17.377 2.262 -4.445 1.00 1.14 H new ATOM 0 HB3 ARG A 128 18.162 3.793 -4.776 1.00 1.14 H new ATOM 0 HG2 ARG A 128 15.907 4.769 -3.730 1.00 1.11 H new ATOM 0 HG3 ARG A 128 15.853 3.190 -2.972 1.00 1.11 H new ATOM 0 HD2 ARG A 128 18.360 4.878 -2.887 1.00 1.34 H new ATOM 0 HD3 ARG A 128 17.059 5.133 -1.741 1.00 1.34 H new ATOM 0 HE ARG A 128 17.375 2.628 -1.174 1.00 1.59 H new ATOM 0 HH11 ARG A 128 19.998 4.554 -2.555 1.00 2.14 H new ATOM 0 HH12 ARG A 128 21.250 3.714 -1.635 1.00 2.14 H new ATOM 0 HH21 ARG A 128 18.986 1.615 0.060 1.00 2.59 H new ATOM 0 HH22 ARG A 128 20.681 2.060 -0.163 1.00 2.59 H new ATOM 2067 N VAL A 129 13.990 3.615 -5.400 1.00 0.91 N ATOM 2068 CA VAL A 129 12.610 3.126 -5.411 1.00 1.04 C ATOM 2069 C VAL A 129 12.016 3.209 -6.833 1.00 1.04 C ATOM 2070 O VAL A 129 11.220 2.355 -7.245 1.00 1.19 O ATOM 2071 CB VAL A 129 11.726 3.873 -4.378 1.00 1.16 C ATOM 2072 CG1 VAL A 129 12.002 5.366 -4.394 1.00 1.43 C ATOM 2073 CG2 VAL A 129 10.249 3.593 -4.620 1.00 1.48 C ATOM 0 H VAL A 129 14.103 4.580 -5.091 1.00 0.91 H new ATOM 0 HA VAL A 129 12.625 2.078 -5.112 1.00 1.04 H new ATOM 0 HB VAL A 129 11.985 3.496 -3.388 1.00 1.16 H new ATOM 0 HG11 VAL A 129 11.367 5.861 -3.659 1.00 1.43 H new ATOM 0 HG12 VAL A 129 13.049 5.545 -4.148 1.00 1.43 H new ATOM 0 HG13 VAL A 129 11.789 5.765 -5.386 1.00 1.43 H new ATOM 0 HG21 VAL A 129 9.652 4.129 -3.882 1.00 1.48 H new ATOM 0 HG22 VAL A 129 9.975 3.927 -5.621 1.00 1.48 H new ATOM 0 HG23 VAL A 129 10.062 2.523 -4.531 1.00 1.48 H new ATOM 2083 N ARG A 130 12.459 4.213 -7.588 1.00 0.99 N ATOM 2084 CA ARG A 130 12.076 4.400 -8.998 1.00 1.14 C ATOM 2085 C ARG A 130 12.526 3.212 -9.863 1.00 1.05 C ATOM 2086 O ARG A 130 12.061 3.042 -10.992 1.00 1.24 O ATOM 2087 CB ARG A 130 12.699 5.710 -9.511 1.00 1.30 C ATOM 2088 CG ARG A 130 12.561 5.972 -11.005 1.00 1.75 C ATOM 2089 CD ARG A 130 11.119 6.206 -11.421 1.00 1.86 C ATOM 2090 NE ARG A 130 10.486 7.289 -10.667 1.00 2.36 N ATOM 2091 CZ ARG A 130 10.657 8.587 -10.920 1.00 2.92 C ATOM 2092 NH1 ARG A 130 11.447 8.989 -11.908 1.00 3.04 N ATOM 2093 NH2 ARG A 130 10.015 9.491 -10.198 1.00 3.83 N ATOM 0 H ARG A 130 13.099 4.928 -7.242 1.00 0.99 H new ATOM 0 HA ARG A 130 10.990 4.455 -9.067 1.00 1.14 H new ATOM 0 HB2 ARG A 130 12.244 6.541 -8.972 1.00 1.30 H new ATOM 0 HB3 ARG A 130 13.759 5.709 -9.258 1.00 1.30 H new ATOM 0 HG2 ARG A 130 13.160 6.842 -11.275 1.00 1.75 H new ATOM 0 HG3 ARG A 130 12.963 5.123 -11.559 1.00 1.75 H new ATOM 0 HD2 ARG A 130 11.085 6.440 -12.485 1.00 1.86 H new ATOM 0 HD3 ARG A 130 10.550 5.288 -11.278 1.00 1.86 H new ATOM 0 HE ARG A 130 9.871 7.033 -9.894 1.00 2.36 H new ATOM 0 HH11 ARG A 130 11.932 8.302 -12.485 1.00 3.04 H new ATOM 0 HH12 ARG A 130 11.569 9.985 -12.090 1.00 3.04 H new ATOM 0 HH21 ARG A 130 9.390 9.195 -9.448 1.00 3.83 H new ATOM 0 HH22 ARG A 130 10.145 10.484 -10.391 1.00 3.83 H new ATOM 2107 N ASN A 131 13.426 2.396 -9.313 1.00 0.85 N ATOM 2108 CA ASN A 131 14.013 1.247 -10.016 1.00 0.88 C ATOM 2109 C ASN A 131 12.973 0.308 -10.633 1.00 1.08 C ATOM 2110 O ASN A 131 13.300 -0.465 -11.534 1.00 1.24 O ATOM 2111 CB ASN A 131 14.910 0.439 -9.073 1.00 0.88 C ATOM 2112 CG ASN A 131 16.324 0.980 -8.987 1.00 1.70 C ATOM 2113 OD1 ASN A 131 16.841 1.567 -9.936 1.00 2.48 O ATOM 2114 ND2 ASN A 131 16.967 0.770 -7.850 1.00 2.04 N ATOM 0 H ASN A 131 13.773 2.512 -8.361 1.00 0.85 H new ATOM 0 HA ASN A 131 14.596 1.671 -10.833 1.00 0.88 H new ATOM 0 HB2 ASN A 131 14.468 0.434 -8.077 1.00 0.88 H new ATOM 0 HB3 ASN A 131 14.944 -0.596 -9.412 1.00 0.88 H new ATOM 0 HD21 ASN A 131 17.926 1.099 -7.738 1.00 2.04 H new ATOM 0 HD22 ASN A 131 16.504 0.279 -7.085 1.00 2.04 H new ATOM 2121 N GLY A 132 11.739 0.331 -10.143 1.00 1.23 N ATOM 2122 CA GLY A 132 10.728 -0.538 -10.723 1.00 1.61 C ATOM 2123 C GLY A 132 9.339 -0.333 -10.156 1.00 1.21 C ATOM 2124 O GLY A 132 8.354 -0.351 -10.894 1.00 1.24 O ATOM 0 H GLY A 132 11.423 0.920 -9.373 1.00 1.23 H new ATOM 0 HA2 GLY A 132 10.697 -0.374 -11.800 1.00 1.61 H new ATOM 0 HA3 GLY A 132 11.023 -1.576 -10.567 1.00 1.61 H new ATOM 2128 N MET A 133 9.257 -0.109 -8.853 1.00 1.24 N ATOM 2129 CA MET A 133 7.971 -0.085 -8.161 1.00 1.38 C ATOM 2130 C MET A 133 7.201 1.193 -8.469 1.00 1.35 C ATOM 2131 O MET A 133 6.022 1.320 -8.134 1.00 1.56 O ATOM 2132 CB MET A 133 8.180 -0.242 -6.656 1.00 2.06 C ATOM 2133 CG MET A 133 9.003 -1.468 -6.297 1.00 2.92 C ATOM 2134 SD MET A 133 8.486 -2.933 -7.216 1.00 3.99 S ATOM 2135 CE MET A 133 9.604 -4.167 -6.562 1.00 4.83 C ATOM 0 H MET A 133 10.063 0.059 -8.251 1.00 1.24 H new ATOM 0 HA MET A 133 7.375 -0.923 -8.521 1.00 1.38 H new ATOM 0 HB2 MET A 133 8.676 0.648 -6.269 1.00 2.06 H new ATOM 0 HB3 MET A 133 7.209 -0.306 -6.164 1.00 2.06 H new ATOM 0 HG2 MET A 133 10.055 -1.268 -6.498 1.00 2.92 H new ATOM 0 HG3 MET A 133 8.914 -1.662 -5.228 1.00 2.92 H new ATOM 0 HE1 MET A 133 10.278 -4.502 -7.351 1.00 4.83 H new ATOM 0 HE2 MET A 133 10.185 -3.736 -5.747 1.00 4.83 H new ATOM 0 HE3 MET A 133 9.031 -5.016 -6.189 1.00 4.83 H new ATOM 2145 N ASP A 134 7.877 2.126 -9.127 1.00 1.38 N ATOM 2146 CA ASP A 134 7.289 3.409 -9.496 1.00 1.84 C ATOM 2147 C ASP A 134 6.105 3.229 -10.448 1.00 1.95 C ATOM 2148 O ASP A 134 5.247 4.101 -10.549 1.00 2.41 O ATOM 2149 CB ASP A 134 8.353 4.288 -10.149 1.00 2.05 C ATOM 2150 CG ASP A 134 7.866 5.694 -10.432 1.00 2.29 C ATOM 2151 OD1 ASP A 134 8.072 6.581 -9.576 1.00 2.83 O ATOM 2152 OD2 ASP A 134 7.301 5.927 -11.521 1.00 2.28 O ATOM 0 H ASP A 134 8.848 2.016 -9.420 1.00 1.38 H new ATOM 0 HA ASP A 134 6.918 3.888 -8.590 1.00 1.84 H new ATOM 0 HB2 ASP A 134 9.226 4.336 -9.499 1.00 2.05 H new ATOM 0 HB3 ASP A 134 8.675 3.826 -11.082 1.00 2.05 H new ATOM 2157 N LYS A 135 6.062 2.102 -11.153 1.00 1.70 N ATOM 2158 CA LYS A 135 4.952 1.827 -12.058 1.00 2.03 C ATOM 2159 C LYS A 135 3.926 0.905 -11.397 1.00 1.70 C ATOM 2160 O LYS A 135 2.733 0.991 -11.676 1.00 2.17 O ATOM 2161 CB LYS A 135 5.446 1.199 -13.366 1.00 2.40 C ATOM 2162 CG LYS A 135 4.344 1.034 -14.403 1.00 3.08 C ATOM 2163 CD LYS A 135 4.826 0.297 -15.639 1.00 3.44 C ATOM 2164 CE LYS A 135 3.719 0.195 -16.678 1.00 3.61 C ATOM 2165 NZ LYS A 135 4.130 -0.589 -17.869 1.00 4.15 N ATOM 0 H LYS A 135 6.774 1.373 -11.116 1.00 1.70 H new ATOM 0 HA LYS A 135 4.475 2.780 -12.288 1.00 2.03 H new ATOM 0 HB2 LYS A 135 6.239 1.820 -13.783 1.00 2.40 H new ATOM 0 HB3 LYS A 135 5.884 0.224 -13.151 1.00 2.40 H new ATOM 0 HG2 LYS A 135 3.509 0.490 -13.960 1.00 3.08 H new ATOM 0 HG3 LYS A 135 3.968 2.016 -14.691 1.00 3.08 H new ATOM 0 HD2 LYS A 135 5.684 0.817 -16.066 1.00 3.44 H new ATOM 0 HD3 LYS A 135 5.164 -0.702 -15.363 1.00 3.44 H new ATOM 0 HE2 LYS A 135 2.842 -0.269 -16.226 1.00 3.61 H new ATOM 0 HE3 LYS A 135 3.424 1.197 -16.990 1.00 3.61 H new ATOM 0 HZ1 LYS A 135 3.342 -0.629 -18.547 1.00 4.15 H new ATOM 0 HZ2 LYS A 135 4.950 -0.134 -18.318 1.00 4.15 H new ATOM 0 HZ3 LYS A 135 4.386 -1.554 -17.578 1.00 4.15 H new ATOM 2179 N GLY A 136 4.396 0.038 -10.512 1.00 1.04 N ATOM 2180 CA GLY A 136 3.521 -0.926 -9.869 1.00 0.79 C ATOM 2181 C GLY A 136 2.559 -0.277 -8.898 1.00 0.65 C ATOM 2182 O GLY A 136 1.358 -0.503 -8.978 1.00 0.57 O ATOM 0 H GLY A 136 5.373 -0.016 -10.225 1.00 1.04 H new ATOM 0 HA2 GLY A 136 2.956 -1.464 -10.630 1.00 0.79 H new ATOM 0 HA3 GLY A 136 4.125 -1.663 -9.340 1.00 0.79 H new ATOM 2186 N TRP A 137 3.087 0.556 -8.006 1.00 0.68 N ATOM 2187 CA TRP A 137 2.277 1.208 -6.976 1.00 0.67 C ATOM 2188 C TRP A 137 1.090 1.985 -7.575 1.00 0.57 C ATOM 2189 O TRP A 137 -0.050 1.776 -7.159 1.00 0.56 O ATOM 2190 CB TRP A 137 3.151 2.125 -6.109 1.00 0.81 C ATOM 2191 CG TRP A 137 2.380 2.905 -5.085 1.00 0.66 C ATOM 2192 CD1 TRP A 137 2.153 4.251 -5.084 1.00 1.62 C ATOM 2193 CD2 TRP A 137 1.729 2.388 -3.914 1.00 0.93 C ATOM 2194 NE1 TRP A 137 1.406 4.605 -3.988 1.00 1.62 N ATOM 2195 CE2 TRP A 137 1.134 3.480 -3.255 1.00 0.98 C ATOM 2196 CE3 TRP A 137 1.595 1.111 -3.361 1.00 2.10 C ATOM 2197 CZ2 TRP A 137 0.415 3.333 -2.073 1.00 1.47 C ATOM 2198 CZ3 TRP A 137 0.878 0.966 -2.188 1.00 2.78 C ATOM 2199 CH2 TRP A 137 0.297 2.072 -1.555 1.00 2.32 C ATOM 0 H TRP A 137 4.077 0.798 -7.974 1.00 0.68 H new ATOM 0 HA TRP A 137 1.857 0.424 -6.346 1.00 0.67 H new ATOM 0 HB2 TRP A 137 3.903 1.521 -5.601 1.00 0.81 H new ATOM 0 HB3 TRP A 137 3.685 2.821 -6.756 1.00 0.81 H new ATOM 0 HD1 TRP A 137 2.510 4.938 -5.837 1.00 1.62 H new ATOM 0 HE1 TRP A 137 1.103 5.551 -3.757 1.00 1.62 H new ATOM 0 HE3 TRP A 137 2.043 0.254 -3.841 1.00 2.10 H new ATOM 0 HZ2 TRP A 137 -0.034 4.184 -1.582 1.00 1.47 H new ATOM 0 HZ3 TRP A 137 0.764 -0.016 -1.753 1.00 2.78 H new ATOM 0 HH2 TRP A 137 -0.256 1.927 -0.639 1.00 2.32 H new ATOM 2210 N PRO A 138 1.317 2.883 -8.562 1.00 0.58 N ATOM 2211 CA PRO A 138 0.220 3.596 -9.219 1.00 0.61 C ATOM 2212 C PRO A 138 -0.753 2.644 -9.903 1.00 0.58 C ATOM 2213 O PRO A 138 -1.961 2.865 -9.872 1.00 0.64 O ATOM 2214 CB PRO A 138 0.914 4.486 -10.255 1.00 0.68 C ATOM 2215 CG PRO A 138 2.263 3.892 -10.428 1.00 0.66 C ATOM 2216 CD PRO A 138 2.623 3.295 -9.098 1.00 0.63 C ATOM 0 HA PRO A 138 -0.377 4.159 -8.502 1.00 0.61 H new ATOM 0 HB2 PRO A 138 0.364 4.499 -11.196 1.00 0.68 H new ATOM 0 HB3 PRO A 138 0.978 5.518 -9.910 1.00 0.68 H new ATOM 0 HG2 PRO A 138 2.258 3.132 -11.209 1.00 0.66 H new ATOM 0 HG3 PRO A 138 2.988 4.649 -10.725 1.00 0.66 H new ATOM 0 HD2 PRO A 138 3.302 2.449 -9.205 1.00 0.63 H new ATOM 0 HD3 PRO A 138 3.116 4.019 -8.450 1.00 0.63 H new ATOM 2224 N THR A 139 -0.228 1.566 -10.487 1.00 0.57 N ATOM 2225 CA THR A 139 -1.071 0.604 -11.178 1.00 0.62 C ATOM 2226 C THR A 139 -1.938 -0.130 -10.171 1.00 0.54 C ATOM 2227 O THR A 139 -3.106 -0.438 -10.428 1.00 0.55 O ATOM 2228 CB THR A 139 -0.221 -0.395 -11.985 1.00 0.72 C ATOM 2229 OG1 THR A 139 0.550 0.315 -12.963 1.00 0.81 O ATOM 2230 CG2 THR A 139 -1.091 -1.428 -12.681 1.00 0.87 C ATOM 0 H THR A 139 0.767 1.343 -10.493 1.00 0.57 H new ATOM 0 HA THR A 139 -1.710 1.141 -11.879 1.00 0.62 H new ATOM 0 HB THR A 139 0.439 -0.917 -11.292 1.00 0.72 H new ATOM 0 HG1 THR A 139 1.458 0.457 -12.623 1.00 0.81 H new ATOM 0 HG21 THR A 139 -0.460 -2.117 -13.241 1.00 0.87 H new ATOM 0 HG22 THR A 139 -1.663 -1.983 -11.937 1.00 0.87 H new ATOM 0 HG23 THR A 139 -1.776 -0.926 -13.364 1.00 0.87 H new ATOM 2238 N ILE A 140 -1.358 -0.367 -9.005 1.00 0.50 N ATOM 2239 CA ILE A 140 -2.071 -0.955 -7.897 1.00 0.47 C ATOM 2240 C ILE A 140 -3.267 -0.100 -7.518 1.00 0.42 C ATOM 2241 O ILE A 140 -4.356 -0.613 -7.334 1.00 0.44 O ATOM 2242 CB ILE A 140 -1.153 -1.146 -6.671 1.00 0.51 C ATOM 2243 CG1 ILE A 140 -0.100 -2.224 -6.965 1.00 0.54 C ATOM 2244 CG2 ILE A 140 -1.967 -1.497 -5.436 1.00 0.54 C ATOM 2245 CD1 ILE A 140 0.710 -2.651 -5.759 1.00 0.72 C ATOM 0 H ILE A 140 -0.380 -0.155 -8.807 1.00 0.50 H new ATOM 0 HA ILE A 140 -2.420 -1.937 -8.217 1.00 0.47 H new ATOM 0 HB ILE A 140 -0.637 -0.207 -6.470 1.00 0.51 H new ATOM 0 HG12 ILE A 140 -0.600 -3.099 -7.381 1.00 0.54 H new ATOM 0 HG13 ILE A 140 0.580 -1.851 -7.731 1.00 0.54 H new ATOM 0 HG21 ILE A 140 -1.299 -1.627 -4.585 1.00 0.54 H new ATOM 0 HG22 ILE A 140 -2.672 -0.693 -5.225 1.00 0.54 H new ATOM 0 HG23 ILE A 140 -2.514 -2.423 -5.612 1.00 0.54 H new ATOM 0 HD11 ILE A 140 1.429 -3.414 -6.056 1.00 0.72 H new ATOM 0 HD12 ILE A 140 1.241 -1.790 -5.354 1.00 0.72 H new ATOM 0 HD13 ILE A 140 0.043 -3.057 -4.998 1.00 0.72 H new ATOM 2257 N LEU A 141 -3.063 1.207 -7.450 1.00 0.39 N ATOM 2258 CA LEU A 141 -4.110 2.123 -7.013 1.00 0.36 C ATOM 2259 C LEU A 141 -5.308 2.126 -7.963 1.00 0.38 C ATOM 2260 O LEU A 141 -6.449 2.302 -7.529 1.00 0.42 O ATOM 2261 CB LEU A 141 -3.548 3.534 -6.863 1.00 0.38 C ATOM 2262 CG LEU A 141 -2.386 3.656 -5.878 1.00 0.43 C ATOM 2263 CD1 LEU A 141 -1.962 5.111 -5.740 1.00 0.69 C ATOM 2264 CD2 LEU A 141 -2.765 3.063 -4.522 1.00 0.56 C ATOM 0 H LEU A 141 -2.181 1.659 -7.692 1.00 0.39 H new ATOM 0 HA LEU A 141 -4.466 1.772 -6.045 1.00 0.36 H new ATOM 0 HB2 LEU A 141 -3.216 3.884 -7.840 1.00 0.38 H new ATOM 0 HB3 LEU A 141 -4.350 4.198 -6.542 1.00 0.38 H new ATOM 0 HG LEU A 141 -1.539 3.090 -6.265 1.00 0.43 H new ATOM 0 HD11 LEU A 141 -1.134 5.183 -5.035 1.00 0.69 H new ATOM 0 HD12 LEU A 141 -1.646 5.492 -6.711 1.00 0.69 H new ATOM 0 HD13 LEU A 141 -2.802 5.702 -5.374 1.00 0.69 H new ATOM 0 HD21 LEU A 141 -1.924 3.160 -3.835 1.00 0.56 H new ATOM 0 HD22 LEU A 141 -3.626 3.597 -4.119 1.00 0.56 H new ATOM 0 HD23 LEU A 141 -3.015 2.009 -4.643 1.00 0.56 H new ATOM 2276 N GLN A 142 -5.060 1.934 -9.251 1.00 0.43 N ATOM 2277 CA GLN A 142 -6.151 1.858 -10.223 1.00 0.48 C ATOM 2278 C GLN A 142 -6.947 0.578 -10.024 1.00 0.47 C ATOM 2279 O GLN A 142 -8.160 0.612 -9.822 1.00 0.48 O ATOM 2280 CB GLN A 142 -5.625 1.920 -11.663 1.00 0.58 C ATOM 2281 CG GLN A 142 -5.438 3.332 -12.198 1.00 0.88 C ATOM 2282 CD GLN A 142 -4.189 4.005 -11.670 1.00 0.78 C ATOM 2283 OE1 GLN A 142 -3.119 3.905 -12.273 1.00 1.49 O ATOM 2284 NE2 GLN A 142 -4.314 4.703 -10.553 1.00 0.77 N ATOM 0 H GLN A 142 -4.126 1.829 -9.648 1.00 0.43 H new ATOM 0 HA GLN A 142 -6.800 2.718 -10.058 1.00 0.48 H new ATOM 0 HB2 GLN A 142 -4.671 1.395 -11.712 1.00 0.58 H new ATOM 0 HB3 GLN A 142 -6.317 1.385 -12.314 1.00 0.58 H new ATOM 0 HG2 GLN A 142 -5.394 3.299 -13.287 1.00 0.88 H new ATOM 0 HG3 GLN A 142 -6.308 3.933 -11.933 1.00 0.88 H new ATOM 0 HE21 GLN A 142 -5.219 4.760 -10.086 1.00 0.77 H new ATOM 0 HE22 GLN A 142 -3.506 5.184 -10.159 1.00 0.77 H new ATOM 2293 N SER A 143 -6.246 -0.540 -10.052 1.00 0.49 N ATOM 2294 CA SER A 143 -6.855 -1.844 -9.860 1.00 0.53 C ATOM 2295 C SER A 143 -7.406 -1.992 -8.441 1.00 0.45 C ATOM 2296 O SER A 143 -8.281 -2.819 -8.187 1.00 0.46 O ATOM 2297 CB SER A 143 -5.823 -2.917 -10.171 1.00 0.64 C ATOM 2298 OG SER A 143 -5.366 -2.796 -11.508 1.00 1.15 O ATOM 0 H SER A 143 -5.239 -0.570 -10.208 1.00 0.49 H new ATOM 0 HA SER A 143 -7.701 -1.954 -10.538 1.00 0.53 H new ATOM 0 HB2 SER A 143 -4.981 -2.830 -9.484 1.00 0.64 H new ATOM 0 HB3 SER A 143 -6.259 -3.904 -10.018 1.00 0.64 H new ATOM 0 HG SER A 143 -4.701 -3.493 -11.691 1.00 1.15 H new ATOM 2304 N PHE A 144 -6.882 -1.191 -7.523 1.00 0.40 N ATOM 2305 CA PHE A 144 -7.362 -1.160 -6.152 1.00 0.36 C ATOM 2306 C PHE A 144 -8.788 -0.626 -6.123 1.00 0.32 C ATOM 2307 O PHE A 144 -9.699 -1.264 -5.597 1.00 0.34 O ATOM 2308 CB PHE A 144 -6.439 -0.275 -5.305 1.00 0.35 C ATOM 2309 CG PHE A 144 -6.917 -0.035 -3.903 1.00 0.39 C ATOM 2310 CD1 PHE A 144 -7.013 -1.079 -2.999 1.00 0.62 C ATOM 2311 CD2 PHE A 144 -7.257 1.241 -3.487 1.00 0.51 C ATOM 2312 CE1 PHE A 144 -7.442 -0.852 -1.707 1.00 0.80 C ATOM 2313 CE2 PHE A 144 -7.687 1.473 -2.196 1.00 0.68 C ATOM 2314 CZ PHE A 144 -7.780 0.426 -1.306 1.00 0.78 C ATOM 0 H PHE A 144 -6.114 -0.546 -7.709 1.00 0.40 H new ATOM 0 HA PHE A 144 -7.357 -2.168 -5.738 1.00 0.36 H new ATOM 0 HB2 PHE A 144 -5.452 -0.736 -5.264 1.00 0.35 H new ATOM 0 HB3 PHE A 144 -6.321 0.687 -5.804 1.00 0.35 H new ATOM 0 HD1 PHE A 144 -6.750 -2.080 -3.307 1.00 0.62 H new ATOM 0 HD2 PHE A 144 -7.185 2.065 -4.181 1.00 0.51 H new ATOM 0 HE1 PHE A 144 -7.513 -1.673 -1.010 1.00 0.80 H new ATOM 0 HE2 PHE A 144 -7.950 2.473 -1.885 1.00 0.68 H new ATOM 0 HZ PHE A 144 -8.117 0.604 -0.295 1.00 0.78 H new ATOM 2324 N GLN A 145 -8.968 0.545 -6.726 1.00 0.29 N ATOM 2325 CA GLN A 145 -10.283 1.156 -6.863 1.00 0.31 C ATOM 2326 C GLN A 145 -11.196 0.261 -7.686 1.00 0.35 C ATOM 2327 O GLN A 145 -12.413 0.232 -7.495 1.00 0.42 O ATOM 2328 CB GLN A 145 -10.152 2.513 -7.548 1.00 0.33 C ATOM 2329 CG GLN A 145 -9.345 3.516 -6.749 1.00 0.41 C ATOM 2330 CD GLN A 145 -9.014 4.769 -7.536 1.00 0.74 C ATOM 2331 OE1 GLN A 145 -9.764 5.744 -7.527 1.00 1.63 O ATOM 2332 NE2 GLN A 145 -7.873 4.759 -8.206 1.00 0.66 N ATOM 0 H GLN A 145 -8.210 1.094 -7.131 1.00 0.29 H new ATOM 0 HA GLN A 145 -10.713 1.288 -5.870 1.00 0.31 H new ATOM 0 HB2 GLN A 145 -9.684 2.376 -8.523 1.00 0.33 H new ATOM 0 HB3 GLN A 145 -11.148 2.919 -7.727 1.00 0.33 H new ATOM 0 HG2 GLN A 145 -9.902 3.792 -5.854 1.00 0.41 H new ATOM 0 HG3 GLN A 145 -8.419 3.047 -6.416 1.00 0.41 H new ATOM 0 HE21 GLN A 145 -7.278 3.930 -8.188 1.00 0.66 H new ATOM 0 HE22 GLN A 145 -7.588 5.580 -8.740 1.00 0.66 H new ATOM 2341 N ASP A 146 -10.582 -0.479 -8.584 1.00 0.36 N ATOM 2342 CA ASP A 146 -11.297 -1.330 -9.518 1.00 0.43 C ATOM 2343 C ASP A 146 -11.841 -2.564 -8.808 1.00 0.40 C ATOM 2344 O ASP A 146 -12.994 -2.946 -9.014 1.00 0.44 O ATOM 2345 CB ASP A 146 -10.368 -1.726 -10.668 1.00 0.55 C ATOM 2346 CG ASP A 146 -11.075 -2.494 -11.761 1.00 0.91 C ATOM 2347 OD1 ASP A 146 -11.871 -1.887 -12.504 1.00 1.04 O ATOM 2348 OD2 ASP A 146 -10.829 -3.706 -11.892 1.00 1.46 O ATOM 0 H ASP A 146 -9.568 -0.509 -8.689 1.00 0.36 H new ATOM 0 HA ASP A 146 -12.145 -0.780 -9.926 1.00 0.43 H new ATOM 0 HB2 ASP A 146 -9.922 -0.827 -11.093 1.00 0.55 H new ATOM 0 HB3 ASP A 146 -9.551 -2.332 -10.276 1.00 0.55 H new ATOM 2353 N LYS A 147 -11.019 -3.172 -7.957 1.00 0.42 N ATOM 2354 CA LYS A 147 -11.443 -4.328 -7.177 1.00 0.51 C ATOM 2355 C LYS A 147 -12.533 -3.934 -6.182 1.00 0.48 C ATOM 2356 O LYS A 147 -13.525 -4.645 -6.022 1.00 0.58 O ATOM 2357 CB LYS A 147 -10.249 -4.939 -6.436 1.00 0.64 C ATOM 2358 CG LYS A 147 -10.583 -6.210 -5.665 1.00 0.92 C ATOM 2359 CD LYS A 147 -11.163 -7.278 -6.582 1.00 1.03 C ATOM 2360 CE LYS A 147 -11.417 -8.588 -5.852 1.00 1.25 C ATOM 2361 NZ LYS A 147 -12.327 -8.418 -4.690 1.00 1.74 N ATOM 0 H LYS A 147 -10.055 -2.882 -7.791 1.00 0.42 H new ATOM 0 HA LYS A 147 -11.850 -5.072 -7.861 1.00 0.51 H new ATOM 0 HB2 LYS A 147 -9.462 -5.160 -7.157 1.00 0.64 H new ATOM 0 HB3 LYS A 147 -9.848 -4.200 -5.742 1.00 0.64 H new ATOM 0 HG2 LYS A 147 -9.683 -6.592 -5.182 1.00 0.92 H new ATOM 0 HG3 LYS A 147 -11.297 -5.981 -4.874 1.00 0.92 H new ATOM 0 HD2 LYS A 147 -12.097 -6.917 -7.012 1.00 1.03 H new ATOM 0 HD3 LYS A 147 -10.478 -7.453 -7.411 1.00 1.03 H new ATOM 0 HE2 LYS A 147 -11.848 -9.310 -6.545 1.00 1.25 H new ATOM 0 HE3 LYS A 147 -10.468 -9.001 -5.510 1.00 1.25 H new ATOM 0 HZ1 LYS A 147 -12.739 -9.338 -4.434 1.00 1.74 H new ATOM 0 HZ2 LYS A 147 -11.792 -8.041 -3.882 1.00 1.74 H new ATOM 0 HZ3 LYS A 147 -13.089 -7.755 -4.940 1.00 1.74 H new ATOM 2375 N ILE A 148 -12.346 -2.796 -5.525 1.00 0.39 N ATOM 2376 CA ILE A 148 -13.311 -2.303 -4.550 1.00 0.40 C ATOM 2377 C ILE A 148 -14.663 -2.016 -5.201 1.00 0.42 C ATOM 2378 O ILE A 148 -15.713 -2.315 -4.637 1.00 0.50 O ATOM 2379 CB ILE A 148 -12.801 -1.027 -3.852 1.00 0.35 C ATOM 2380 CG1 ILE A 148 -11.550 -1.338 -3.031 1.00 0.38 C ATOM 2381 CG2 ILE A 148 -13.884 -0.428 -2.961 1.00 0.46 C ATOM 2382 CD1 ILE A 148 -11.002 -0.143 -2.283 1.00 0.37 C ATOM 0 H ILE A 148 -11.531 -2.195 -5.650 1.00 0.39 H new ATOM 0 HA ILE A 148 -13.436 -3.089 -3.805 1.00 0.40 H new ATOM 0 HB ILE A 148 -12.546 -0.295 -4.618 1.00 0.35 H new ATOM 0 HG12 ILE A 148 -11.782 -2.128 -2.316 1.00 0.38 H new ATOM 0 HG13 ILE A 148 -10.777 -1.726 -3.695 1.00 0.38 H new ATOM 0 HG21 ILE A 148 -13.502 0.472 -2.479 1.00 0.46 H new ATOM 0 HG22 ILE A 148 -14.754 -0.173 -3.567 1.00 0.46 H new ATOM 0 HG23 ILE A 148 -14.172 -1.154 -2.200 1.00 0.46 H new ATOM 0 HD11 ILE A 148 -10.115 -0.440 -1.723 1.00 0.37 H new ATOM 0 HD12 ILE A 148 -10.738 0.641 -2.993 1.00 0.37 H new ATOM 0 HD13 ILE A 148 -11.758 0.232 -1.593 1.00 0.37 H new ATOM 2394 N ASP A 149 -14.630 -1.450 -6.399 1.00 0.41 N ATOM 2395 CA ASP A 149 -15.856 -1.116 -7.117 1.00 0.49 C ATOM 2396 C ASP A 149 -16.627 -2.376 -7.490 1.00 0.55 C ATOM 2397 O ASP A 149 -17.854 -2.356 -7.597 1.00 0.64 O ATOM 2398 CB ASP A 149 -15.532 -0.291 -8.359 1.00 0.54 C ATOM 2399 CG ASP A 149 -16.759 0.104 -9.150 1.00 0.65 C ATOM 2400 OD1 ASP A 149 -17.703 0.660 -8.559 1.00 0.85 O ATOM 2401 OD2 ASP A 149 -16.766 -0.112 -10.377 1.00 0.77 O ATOM 0 H ASP A 149 -13.771 -1.212 -6.895 1.00 0.41 H new ATOM 0 HA ASP A 149 -16.489 -0.519 -6.460 1.00 0.49 H new ATOM 0 HB2 ASP A 149 -14.996 0.609 -8.059 1.00 0.54 H new ATOM 0 HB3 ASP A 149 -14.862 -0.862 -9.002 1.00 0.54 H new ATOM 2406 N GLU A 150 -15.907 -3.485 -7.651 1.00 0.57 N ATOM 2407 CA GLU A 150 -16.540 -4.769 -7.924 1.00 0.68 C ATOM 2408 C GLU A 150 -17.388 -5.179 -6.736 1.00 0.75 C ATOM 2409 O GLU A 150 -18.492 -5.706 -6.884 1.00 0.89 O ATOM 2410 CB GLU A 150 -15.500 -5.860 -8.175 1.00 0.76 C ATOM 2411 CG GLU A 150 -14.704 -5.680 -9.446 1.00 0.78 C ATOM 2412 CD GLU A 150 -13.640 -6.742 -9.607 1.00 1.10 C ATOM 2413 OE1 GLU A 150 -12.443 -6.382 -9.662 1.00 1.45 O ATOM 2414 OE2 GLU A 150 -13.993 -7.934 -9.673 1.00 1.50 O ATOM 0 H GLU A 150 -14.889 -3.518 -7.597 1.00 0.57 H new ATOM 0 HA GLU A 150 -17.155 -4.655 -8.817 1.00 0.68 H new ATOM 0 HB2 GLU A 150 -14.812 -5.891 -7.330 1.00 0.76 H new ATOM 0 HB3 GLU A 150 -16.005 -6.825 -8.210 1.00 0.76 H new ATOM 0 HG2 GLU A 150 -15.378 -5.710 -10.302 1.00 0.78 H new ATOM 0 HG3 GLU A 150 -14.236 -4.696 -9.443 1.00 0.78 H new ATOM 2421 N GLU A 151 -16.850 -4.900 -5.558 1.00 0.72 N ATOM 2422 CA GLU A 151 -17.487 -5.256 -4.303 1.00 0.84 C ATOM 2423 C GLU A 151 -18.650 -4.311 -4.056 1.00 0.88 C ATOM 2424 O GLU A 151 -19.645 -4.668 -3.423 1.00 1.06 O ATOM 2425 CB GLU A 151 -16.485 -5.146 -3.148 1.00 0.86 C ATOM 2426 CG GLU A 151 -15.118 -5.751 -3.438 1.00 0.95 C ATOM 2427 CD GLU A 151 -15.166 -7.240 -3.704 1.00 1.39 C ATOM 2428 OE1 GLU A 151 -15.029 -7.649 -4.877 1.00 1.74 O ATOM 2429 OE2 GLU A 151 -15.321 -8.017 -2.741 1.00 1.63 O ATOM 0 H GLU A 151 -15.957 -4.419 -5.447 1.00 0.72 H new ATOM 0 HA GLU A 151 -17.845 -6.284 -4.359 1.00 0.84 H new ATOM 0 HB2 GLU A 151 -16.356 -4.094 -2.895 1.00 0.86 H new ATOM 0 HB3 GLU A 151 -16.906 -5.636 -2.270 1.00 0.86 H new ATOM 0 HG2 GLU A 151 -14.682 -5.249 -4.302 1.00 0.95 H new ATOM 0 HG3 GLU A 151 -14.458 -5.561 -2.592 1.00 0.95 H new ATOM 2436 N GLY A 152 -18.505 -3.099 -4.581 1.00 0.84 N ATOM 2437 CA GLY A 152 -19.516 -2.085 -4.423 1.00 0.96 C ATOM 2438 C GLY A 152 -20.726 -2.341 -5.289 1.00 1.04 C ATOM 2439 O GLY A 152 -21.764 -2.779 -4.791 1.00 1.32 O ATOM 0 H GLY A 152 -17.691 -2.804 -5.120 1.00 0.84 H new ATOM 0 HA2 GLY A 152 -19.823 -2.041 -3.378 1.00 0.96 H new ATOM 0 HA3 GLY A 152 -19.093 -1.112 -4.672 1.00 0.96 H new ATOM 2443 N ALA A 153 -20.599 -2.092 -6.588 1.00 1.14 N ATOM 2444 CA ALA A 153 -21.745 -2.205 -7.478 1.00 1.47 C ATOM 2445 C ALA A 153 -21.346 -2.259 -8.951 1.00 1.29 C ATOM 2446 O ALA A 153 -22.155 -1.939 -9.825 1.00 1.70 O ATOM 2447 CB ALA A 153 -22.679 -1.032 -7.237 1.00 1.92 C ATOM 0 H ALA A 153 -19.728 -1.815 -7.041 1.00 1.14 H new ATOM 0 HA ALA A 153 -22.246 -3.146 -7.253 1.00 1.47 H new ATOM 0 HB1 ALA A 153 -23.540 -1.110 -7.901 1.00 1.92 H new ATOM 0 HB2 ALA A 153 -23.017 -1.043 -6.201 1.00 1.92 H new ATOM 0 HB3 ALA A 153 -22.151 -0.100 -7.436 1.00 1.92 H new ATOM 2453 N LYS A 154 -20.119 -2.674 -9.239 1.00 1.09 N ATOM 2454 CA LYS A 154 -19.671 -2.745 -10.625 1.00 1.02 C ATOM 2455 C LYS A 154 -20.387 -3.866 -11.362 1.00 1.38 C ATOM 2456 O LYS A 154 -21.302 -3.620 -12.150 1.00 2.04 O ATOM 2457 CB LYS A 154 -18.164 -2.975 -10.718 1.00 0.91 C ATOM 2458 CG LYS A 154 -17.624 -2.740 -12.119 1.00 1.02 C ATOM 2459 CD LYS A 154 -16.273 -3.398 -12.341 1.00 0.95 C ATOM 2460 CE LYS A 154 -15.244 -2.941 -11.326 1.00 0.73 C ATOM 2461 NZ LYS A 154 -13.903 -3.502 -11.625 1.00 1.32 N ATOM 0 H LYS A 154 -19.427 -2.962 -8.547 1.00 1.09 H new ATOM 0 HA LYS A 154 -19.909 -1.787 -11.087 1.00 1.02 H new ATOM 0 HB2 LYS A 154 -17.655 -2.311 -10.020 1.00 0.91 H new ATOM 0 HB3 LYS A 154 -17.936 -3.996 -10.411 1.00 0.91 H new ATOM 0 HG2 LYS A 154 -18.336 -3.125 -12.849 1.00 1.02 H new ATOM 0 HG3 LYS A 154 -17.536 -1.668 -12.295 1.00 1.02 H new ATOM 0 HD2 LYS A 154 -16.383 -4.481 -12.283 1.00 0.95 H new ATOM 0 HD3 LYS A 154 -15.918 -3.167 -13.346 1.00 0.95 H new ATOM 0 HE2 LYS A 154 -15.192 -1.852 -11.323 1.00 0.73 H new ATOM 0 HE3 LYS A 154 -15.554 -3.248 -10.327 1.00 0.73 H new ATOM 0 HZ1 LYS A 154 -13.324 -3.497 -10.761 1.00 1.32 H new ATOM 0 HZ2 LYS A 154 -14.004 -4.478 -11.969 1.00 1.32 H new ATOM 0 HZ3 LYS A 154 -13.440 -2.924 -12.355 1.00 1.32 H new ATOM 2475 N LYS A 155 -19.965 -5.095 -11.076 1.00 1.82 N ATOM 2476 CA LYS A 155 -20.487 -6.283 -11.739 1.00 2.44 C ATOM 2477 C LYS A 155 -20.298 -6.176 -13.248 1.00 3.14 C ATOM 2478 O LYS A 155 -19.157 -6.395 -13.710 1.00 3.71 O ATOM 2479 CB LYS A 155 -21.959 -6.501 -11.378 1.00 2.82 C ATOM 2480 CG LYS A 155 -22.193 -6.577 -9.880 1.00 2.95 C ATOM 2481 CD LYS A 155 -23.652 -6.824 -9.551 1.00 3.46 C ATOM 2482 CE LYS A 155 -23.894 -6.776 -8.055 1.00 3.45 C ATOM 2483 NZ LYS A 155 -25.310 -7.058 -7.718 1.00 4.22 N ATOM 2484 OXT LYS A 155 -21.270 -5.866 -13.964 1.00 3.60 O ATOM 0 H LYS A 155 -19.250 -5.294 -10.376 1.00 1.82 H new ATOM 0 HA LYS A 155 -19.927 -7.151 -11.390 1.00 2.44 H new ATOM 0 HB2 LYS A 155 -22.554 -5.688 -11.793 1.00 2.82 H new ATOM 0 HB3 LYS A 155 -22.310 -7.422 -11.843 1.00 2.82 H new ATOM 0 HG2 LYS A 155 -21.584 -7.376 -9.457 1.00 2.95 H new ATOM 0 HG3 LYS A 155 -21.867 -5.647 -9.413 1.00 2.95 H new ATOM 0 HD2 LYS A 155 -24.271 -6.075 -10.046 1.00 3.46 H new ATOM 0 HD3 LYS A 155 -23.955 -7.796 -9.940 1.00 3.46 H new ATOM 0 HE2 LYS A 155 -23.250 -7.503 -7.559 1.00 3.45 H new ATOM 0 HE3 LYS A 155 -23.618 -5.793 -7.673 1.00 3.45 H new ATOM 0 HZ1 LYS A 155 -25.436 -7.016 -6.687 1.00 4.22 H new ATOM 0 HZ2 LYS A 155 -25.922 -6.350 -8.171 1.00 4.22 H new ATOM 0 HZ3 LYS A 155 -25.566 -8.006 -8.060 1.00 4.22 H new TER 2498 LYS A 155