USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 803 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 98 GLN : amide:sc= -9.44! C(o=-7.8!,f=-16!) USER MOD Set 1.2: A 99 THR OG1 : rot -173:sc= 1.61 USER MOD Set 2.1: A 46 TYR OH : rot 15:sc= 0.795 USER MOD Set 2.2: A 79 GLN : amide:sc= -5.4! C(o=-8.4!,f=-3.6!) USER MOD Set 2.3: A 94 LYS NZ :NH3+ 141:sc= -3.78! (180deg=-2.57!) USER MOD Set 3.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 56 SER OG : rot 170:sc= 0 USER MOD Set 4.1: A 41 TYR OH : rot 59:sc= -0.776 USER MOD Set 4.2: A 63 ASN : amide:sc= -2.29 K(o=-3.1,f=-2.1!) USER MOD Set 5.1: A 20 THR OG1 : rot 170:sc= -0.867! USER MOD Set 5.2: A 23 SER OG : rot -40:sc= -0.123 USER MOD Single : A 1 GLY N :NH3+ -103:sc= 0.0375 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 54:sc= 0.241 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.17 USER MOD Single : A 10 THR OG1 : rot 131:sc= 1.23 USER MOD Single : A 14 MET CE :methyl -158:sc= -0.0149 (180deg=-0.454) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 16 GLN : amide:sc= -1.6 K(o=-1.6,f=-0.51) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0878 USER MOD Single : A 21 MET CE :methyl 178:sc= -3.21 (180deg=-3.41!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.21 K(o=-1.2,f=-2.4!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 35 ASN : amide:sc= 0.272 X(o=0.27,f=-0.14) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= 0.00117 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.0034 X(o=-0.0034,f=0) USER MOD Single : A 51 ASN : amide:sc= -1.51 K(o=-1.5,f=-8.1!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 55 SER OG : rot -58:sc= 0.225 USER MOD Single : A 57 MET CE :methyl -139:sc= -1.35 (180deg=-2.3) USER MOD Single : A 60 SER OG : rot -150:sc= -0.0099 USER MOD Single : A 61 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.18) USER MOD Single : A 62 THR OG1 : rot 150:sc= -2.08! USER MOD Single : A 64 THR OG1 : rot 44:sc= 0.0066 USER MOD Single : A 74 MET CE :methyl -104:sc= -2.9 (180deg=-5.64!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.326 USER MOD Single : A 84 THR OG1 : rot 170:sc= -0.698 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 120:sc= -0.602 USER MOD Single : A 95 MET CE :methyl -162:sc= -0.876 (180deg=-1.42!) USER MOD Single : A 96 CYS SG : rot 27:sc= 0.445 USER MOD Single : A 101 THR OG1 : rot -2:sc= 1.07 USER MOD Single : A 103 SER OG : rot 66:sc= 0.55 USER MOD Single : A 106 SER OG : rot 45:sc= 0.379 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.771 -11.275 6.992 1.00 0.00 N ATOM 2 CA GLY A 1 -7.953 -11.336 5.794 1.00 0.00 C ATOM 3 C GLY A 1 -8.599 -12.152 4.693 1.00 0.00 C ATOM 4 O GLY A 1 -9.423 -13.027 4.960 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.241 -10.349 7.044 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.489 -12.027 6.961 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.169 -11.406 7.830 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.768 -10.325 5.432 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.983 -11.768 6.041 1.00 0.00 H new ATOM 8 N SER A 2 -8.226 -11.865 3.449 1.00 0.00 N ATOM 9 CA SER A 2 -8.779 -12.576 2.302 1.00 0.00 C ATOM 10 C SER A 2 -8.155 -13.962 2.169 1.00 0.00 C ATOM 11 O SER A 2 -7.014 -14.182 2.575 1.00 0.00 O ATOM 12 CB SER A 2 -8.548 -11.775 1.020 1.00 0.00 C ATOM 13 OG SER A 2 -7.168 -11.530 0.813 1.00 0.00 O ATOM 0 H SER A 2 -7.544 -11.145 3.210 1.00 0.00 H new ATOM 0 HA SER A 2 -9.851 -12.693 2.461 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.955 -12.320 0.169 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.084 -10.828 1.078 1.00 0.00 H new ATOM 0 HG SER A 2 -7.047 -11.018 -0.014 1.00 0.00 H new ATOM 19 N SER A 3 -8.913 -14.893 1.599 1.00 0.00 N ATOM 20 CA SER A 3 -8.436 -16.259 1.415 1.00 0.00 C ATOM 21 C SER A 3 -7.402 -16.328 0.296 1.00 0.00 C ATOM 22 O SER A 3 -6.312 -16.869 0.475 1.00 0.00 O ATOM 23 CB SER A 3 -9.608 -17.192 1.101 1.00 0.00 C ATOM 24 OG SER A 3 -9.307 -18.528 1.465 1.00 0.00 O ATOM 0 H SER A 3 -9.859 -14.727 1.257 1.00 0.00 H new ATOM 0 HA SER A 3 -7.963 -16.581 2.343 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.497 -16.857 1.636 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.840 -17.145 0.037 1.00 0.00 H new ATOM 0 HG SER A 3 -10.072 -19.104 1.256 1.00 0.00 H new ATOM 30 N GLY A 4 -7.754 -15.775 -0.862 1.00 0.00 N ATOM 31 CA GLY A 4 -6.847 -15.784 -1.994 1.00 0.00 C ATOM 32 C GLY A 4 -6.843 -17.113 -2.724 1.00 0.00 C ATOM 33 O GLY A 4 -7.599 -18.021 -2.377 1.00 0.00 O ATOM 0 H GLY A 4 -8.651 -15.321 -1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.130 -14.993 -2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.838 -15.560 -1.649 1.00 0.00 H new ATOM 37 N SER A 5 -5.992 -17.227 -3.738 1.00 0.00 N ATOM 38 CA SER A 5 -5.897 -18.453 -4.522 1.00 0.00 C ATOM 39 C SER A 5 -4.440 -18.854 -4.730 1.00 0.00 C ATOM 40 O SER A 5 -3.851 -18.575 -5.774 1.00 0.00 O ATOM 41 CB SER A 5 -6.586 -18.272 -5.876 1.00 0.00 C ATOM 42 OG SER A 5 -6.141 -17.091 -6.521 1.00 0.00 O ATOM 0 H SER A 5 -5.358 -16.485 -4.036 1.00 0.00 H new ATOM 0 HA SER A 5 -6.399 -19.248 -3.970 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.382 -19.135 -6.510 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.666 -18.228 -5.735 1.00 0.00 H new ATOM 0 HG SER A 5 -5.162 -17.096 -6.575 1.00 0.00 H new ATOM 48 N SER A 6 -3.865 -19.510 -3.728 1.00 0.00 N ATOM 49 CA SER A 6 -2.475 -19.947 -3.798 1.00 0.00 C ATOM 50 C SER A 6 -1.613 -18.905 -4.504 1.00 0.00 C ATOM 51 O SER A 6 -0.661 -19.243 -5.206 1.00 0.00 O ATOM 52 CB SER A 6 -2.376 -21.288 -4.528 1.00 0.00 C ATOM 53 OG SER A 6 -3.014 -22.317 -3.793 1.00 0.00 O ATOM 0 H SER A 6 -4.340 -19.751 -2.858 1.00 0.00 H new ATOM 0 HA SER A 6 -2.106 -20.068 -2.780 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.834 -21.204 -5.514 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.328 -21.544 -4.684 1.00 0.00 H new ATOM 0 HG SER A 6 -2.938 -23.163 -4.281 1.00 0.00 H new ATOM 59 N GLY A 7 -1.956 -17.634 -4.313 1.00 0.00 N ATOM 60 CA GLY A 7 -1.204 -16.561 -4.937 1.00 0.00 C ATOM 61 C GLY A 7 0.236 -16.513 -4.468 1.00 0.00 C ATOM 62 O GLY A 7 0.673 -17.323 -3.650 1.00 0.00 O ATOM 0 H GLY A 7 -2.741 -17.329 -3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.226 -16.688 -6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.686 -15.608 -4.718 1.00 0.00 H new ATOM 66 N PRO A 8 1.001 -15.544 -4.993 1.00 0.00 N ATOM 67 CA PRO A 8 2.413 -15.371 -4.638 1.00 0.00 C ATOM 68 C PRO A 8 2.594 -14.873 -3.208 1.00 0.00 C ATOM 69 O PRO A 8 1.674 -14.310 -2.616 1.00 0.00 O ATOM 70 CB PRO A 8 2.903 -14.319 -5.636 1.00 0.00 C ATOM 71 CG PRO A 8 1.680 -13.556 -6.014 1.00 0.00 C ATOM 72 CD PRO A 8 0.547 -14.544 -5.974 1.00 0.00 C ATOM 0 HA PRO A 8 2.963 -16.311 -4.684 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.653 -13.667 -5.188 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.364 -14.784 -6.507 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.504 -12.732 -5.322 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.783 -13.121 -7.008 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.386 -14.073 -5.665 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.370 -14.992 -6.952 1.00 0.00 H new ATOM 80 N SER A 9 3.786 -15.085 -2.659 1.00 0.00 N ATOM 81 CA SER A 9 4.087 -14.661 -1.297 1.00 0.00 C ATOM 82 C SER A 9 3.667 -13.211 -1.074 1.00 0.00 C ATOM 83 O SER A 9 3.473 -12.454 -2.027 1.00 0.00 O ATOM 84 CB SER A 9 5.580 -14.821 -1.008 1.00 0.00 C ATOM 85 OG SER A 9 5.929 -14.216 0.225 1.00 0.00 O ATOM 0 H SER A 9 4.559 -15.548 -3.137 1.00 0.00 H new ATOM 0 HA SER A 9 3.522 -15.294 -0.613 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.837 -15.880 -0.983 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.160 -14.371 -1.814 1.00 0.00 H new ATOM 0 HG SER A 9 6.888 -14.334 0.387 1.00 0.00 H new ATOM 91 N THR A 10 3.527 -12.830 0.192 1.00 0.00 N ATOM 92 CA THR A 10 3.129 -11.472 0.541 1.00 0.00 C ATOM 93 C THR A 10 3.977 -10.927 1.684 1.00 0.00 C ATOM 94 O THR A 10 4.307 -11.650 2.625 1.00 0.00 O ATOM 95 CB THR A 10 1.643 -11.408 0.944 1.00 0.00 C ATOM 96 OG1 THR A 10 1.195 -10.048 0.950 1.00 0.00 O ATOM 97 CG2 THR A 10 1.429 -12.024 2.319 1.00 0.00 C ATOM 0 H THR A 10 3.683 -13.443 0.992 1.00 0.00 H new ATOM 0 HA THR A 10 3.284 -10.859 -0.347 1.00 0.00 H new ATOM 0 HB THR A 10 1.066 -11.976 0.214 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.354 -9.978 0.452 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.373 -11.968 2.583 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.744 -13.067 2.303 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.017 -11.479 3.057 1.00 0.00 H new ATOM 105 N VAL A 11 4.328 -9.648 1.598 1.00 0.00 N ATOM 106 CA VAL A 11 5.137 -9.006 2.626 1.00 0.00 C ATOM 107 C VAL A 11 4.624 -9.345 4.021 1.00 0.00 C ATOM 108 O VAL A 11 3.429 -9.264 4.307 1.00 0.00 O ATOM 109 CB VAL A 11 5.152 -7.475 2.455 1.00 0.00 C ATOM 110 CG1 VAL A 11 5.772 -6.807 3.673 1.00 0.00 C ATOM 111 CG2 VAL A 11 5.898 -7.089 1.187 1.00 0.00 C ATOM 0 H VAL A 11 4.064 -9.036 0.826 1.00 0.00 H new ATOM 0 HA VAL A 11 6.152 -9.387 2.513 1.00 0.00 H new ATOM 0 HB VAL A 11 4.123 -7.127 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.774 -5.726 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.191 -7.058 4.561 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.796 -7.158 3.799 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.899 -6.004 1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.925 -7.449 1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.405 -7.537 0.324 1.00 0.00 H new ATOM 121 N PRO A 12 5.547 -9.734 4.913 1.00 0.00 N ATOM 122 CA PRO A 12 5.212 -10.093 6.294 1.00 0.00 C ATOM 123 C PRO A 12 4.782 -8.884 7.119 1.00 0.00 C ATOM 124 O PRO A 12 3.867 -8.974 7.938 1.00 0.00 O ATOM 125 CB PRO A 12 6.520 -10.674 6.838 1.00 0.00 C ATOM 126 CG PRO A 12 7.586 -10.046 6.009 1.00 0.00 C ATOM 127 CD PRO A 12 6.990 -9.854 4.642 1.00 0.00 C ATOM 0 HA PRO A 12 4.371 -10.784 6.342 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.649 -10.438 7.894 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.538 -11.760 6.750 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.901 -9.093 6.435 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.470 -10.682 5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.383 -8.962 4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.207 -10.698 3.987 1.00 0.00 H new ATOM 135 N ILE A 13 5.448 -7.756 6.898 1.00 0.00 N ATOM 136 CA ILE A 13 5.134 -6.530 7.620 1.00 0.00 C ATOM 137 C ILE A 13 5.515 -5.298 6.805 1.00 0.00 C ATOM 138 O ILE A 13 6.305 -5.384 5.865 1.00 0.00 O ATOM 139 CB ILE A 13 5.856 -6.476 8.979 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.343 -5.296 9.807 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.360 -6.372 8.776 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.446 -5.516 11.300 1.00 0.00 C ATOM 0 H ILE A 13 6.209 -7.666 6.224 1.00 0.00 H new ATOM 0 HA ILE A 13 4.057 -6.531 7.790 1.00 0.00 H new ATOM 0 HB ILE A 13 5.645 -7.397 9.523 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.907 -4.402 9.540 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.302 -5.105 9.547 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.856 -6.335 9.746 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.713 -7.241 8.221 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.590 -5.466 8.216 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.065 -4.640 11.824 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.859 -6.390 11.580 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.489 -5.677 11.573 1.00 0.00 H new ATOM 154 N MET A 14 4.951 -4.153 7.173 1.00 0.00 N ATOM 155 CA MET A 14 5.234 -2.903 6.478 1.00 0.00 C ATOM 156 C MET A 14 6.075 -1.975 7.349 1.00 0.00 C ATOM 157 O MET A 14 5.940 -1.965 8.573 1.00 0.00 O ATOM 158 CB MET A 14 3.930 -2.208 6.083 1.00 0.00 C ATOM 159 CG MET A 14 3.420 -2.609 4.708 1.00 0.00 C ATOM 160 SD MET A 14 4.109 -1.592 3.388 1.00 0.00 S ATOM 161 CE MET A 14 2.618 -0.886 2.691 1.00 0.00 C ATOM 0 H MET A 14 4.295 -4.065 7.949 1.00 0.00 H new ATOM 0 HA MET A 14 5.800 -3.138 5.576 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.166 -2.437 6.826 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.082 -1.129 6.105 1.00 0.00 H new ATOM 0 HG2 MET A 14 3.668 -3.654 4.523 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.333 -2.532 4.691 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.811 -0.565 1.667 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.826 -1.635 2.693 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.308 -0.028 3.288 1.00 0.00 H new ATOM 171 N HIS A 15 6.944 -1.198 6.711 1.00 0.00 N ATOM 172 CA HIS A 15 7.807 -0.266 7.428 1.00 0.00 C ATOM 173 C HIS A 15 7.706 1.136 6.833 1.00 0.00 C ATOM 174 O HIS A 15 7.907 1.326 5.634 1.00 0.00 O ATOM 175 CB HIS A 15 9.257 -0.747 7.387 1.00 0.00 C ATOM 176 CG HIS A 15 9.509 -1.963 8.225 1.00 0.00 C ATOM 177 ND1 HIS A 15 9.277 -2.002 9.584 1.00 0.00 N ATOM 178 CD2 HIS A 15 9.974 -3.189 7.889 1.00 0.00 C ATOM 179 CE1 HIS A 15 9.589 -3.199 10.047 1.00 0.00 C ATOM 180 NE2 HIS A 15 10.015 -3.938 9.039 1.00 0.00 N ATOM 0 H HIS A 15 7.069 -1.195 5.699 1.00 0.00 H new ATOM 0 HA HIS A 15 7.475 -0.226 8.465 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.530 -0.965 6.354 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.908 0.059 7.726 1.00 0.00 H new ATOM 0 HD2 HIS A 15 10.260 -3.517 6.900 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.509 -3.519 11.075 1.00 0.00 H new ATOM 0 HE2 HIS A 15 10.324 -4.908 9.104 1.00 0.00 H new ATOM 189 N GLN A 16 7.394 2.111 7.680 1.00 0.00 N ATOM 190 CA GLN A 16 7.265 3.495 7.236 1.00 0.00 C ATOM 191 C GLN A 16 8.538 4.281 7.532 1.00 0.00 C ATOM 192 O GLN A 16 8.993 4.338 8.675 1.00 0.00 O ATOM 193 CB GLN A 16 6.069 4.162 7.917 1.00 0.00 C ATOM 194 CG GLN A 16 5.656 5.475 7.272 1.00 0.00 C ATOM 195 CD GLN A 16 5.037 6.442 8.262 1.00 0.00 C ATOM 196 OE1 GLN A 16 4.281 6.042 9.148 1.00 0.00 O ATOM 197 NE2 GLN A 16 5.354 7.723 8.116 1.00 0.00 N ATOM 0 H GLN A 16 7.226 1.969 8.676 1.00 0.00 H new ATOM 0 HA GLN A 16 7.104 3.492 6.158 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.222 3.476 7.899 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.312 4.342 8.964 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.528 5.940 6.813 1.00 0.00 H new ATOM 0 HG3 GLN A 16 4.943 5.274 6.472 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.985 8.010 7.368 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.967 8.420 8.752 1.00 0.00 H new ATOM 206 N VAL A 17 9.107 4.888 6.496 1.00 0.00 N ATOM 207 CA VAL A 17 10.327 5.672 6.645 1.00 0.00 C ATOM 208 C VAL A 17 10.012 7.104 7.063 1.00 0.00 C ATOM 209 O VAL A 17 10.601 7.630 8.008 1.00 0.00 O ATOM 210 CB VAL A 17 11.141 5.699 5.337 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.416 6.507 5.518 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.458 4.283 4.879 1.00 0.00 C ATOM 0 H VAL A 17 8.743 4.852 5.544 1.00 0.00 H new ATOM 0 HA VAL A 17 10.919 5.190 7.423 1.00 0.00 H new ATOM 0 HB VAL A 17 10.541 6.181 4.565 1.00 0.00 H new ATOM 0 HG11 VAL A 17 12.978 6.515 4.584 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.162 7.530 5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.024 6.057 6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 17 12.033 4.320 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 17 12.039 3.774 5.648 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.529 3.740 4.707 1.00 0.00 H new ATOM 222 N SER A 18 9.078 7.730 6.354 1.00 0.00 N ATOM 223 CA SER A 18 8.687 9.104 6.649 1.00 0.00 C ATOM 224 C SER A 18 7.299 9.405 6.091 1.00 0.00 C ATOM 225 O SER A 18 6.630 8.523 5.553 1.00 0.00 O ATOM 226 CB SER A 18 9.707 10.084 6.067 1.00 0.00 C ATOM 227 OG SER A 18 9.525 11.385 6.599 1.00 0.00 O ATOM 0 H SER A 18 8.578 7.308 5.572 1.00 0.00 H new ATOM 0 HA SER A 18 8.658 9.223 7.732 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.716 9.736 6.286 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.609 10.114 4.982 1.00 0.00 H new ATOM 0 HG SER A 18 10.190 11.992 6.213 1.00 0.00 H new ATOM 233 N ALA A 19 6.874 10.657 6.222 1.00 0.00 N ATOM 234 CA ALA A 19 5.568 11.076 5.729 1.00 0.00 C ATOM 235 C ALA A 19 5.472 12.596 5.653 1.00 0.00 C ATOM 236 O ALA A 19 6.247 13.311 6.290 1.00 0.00 O ATOM 237 CB ALA A 19 4.466 10.520 6.617 1.00 0.00 C ATOM 0 H ALA A 19 7.415 11.399 6.666 1.00 0.00 H new ATOM 0 HA ALA A 19 5.443 10.679 4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.496 10.841 6.237 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.514 9.431 6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.597 10.889 7.634 1.00 0.00 H new ATOM 243 N THR A 20 4.517 13.086 4.869 1.00 0.00 N ATOM 244 CA THR A 20 4.321 14.521 4.708 1.00 0.00 C ATOM 245 C THR A 20 2.967 14.956 5.257 1.00 0.00 C ATOM 246 O THR A 20 2.239 14.157 5.845 1.00 0.00 O ATOM 247 CB THR A 20 4.420 14.940 3.229 1.00 0.00 C ATOM 248 OG1 THR A 20 3.229 14.560 2.531 1.00 0.00 O ATOM 249 CG2 THR A 20 5.629 14.297 2.565 1.00 0.00 C ATOM 0 H THR A 20 3.867 12.509 4.335 1.00 0.00 H new ATOM 0 HA THR A 20 5.114 15.013 5.271 1.00 0.00 H new ATOM 0 HB THR A 20 4.535 16.023 3.188 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.228 14.967 1.639 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.679 14.607 1.521 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.537 14.611 3.080 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.539 13.212 2.617 1.00 0.00 H new ATOM 257 N MET A 21 2.635 16.228 5.062 1.00 0.00 N ATOM 258 CA MET A 21 1.367 16.769 5.537 1.00 0.00 C ATOM 259 C MET A 21 0.235 16.424 4.574 1.00 0.00 C ATOM 260 O MET A 21 -0.939 16.453 4.945 1.00 0.00 O ATOM 261 CB MET A 21 1.465 18.286 5.704 1.00 0.00 C ATOM 262 CG MET A 21 2.102 18.712 7.017 1.00 0.00 C ATOM 263 SD MET A 21 1.762 20.435 7.428 1.00 0.00 S ATOM 264 CE MET A 21 -0.024 20.404 7.565 1.00 0.00 C ATOM 0 H MET A 21 3.227 16.903 4.578 1.00 0.00 H new ATOM 0 HA MET A 21 1.148 16.318 6.505 1.00 0.00 H new ATOM 0 HB2 MET A 21 2.045 18.698 4.878 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.466 18.716 5.638 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.734 18.072 7.819 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.180 18.562 6.959 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.384 21.392 7.851 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.458 20.123 6.605 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.318 19.677 8.322 1.00 0.00 H new ATOM 274 N ARG A 22 0.595 16.099 3.337 1.00 0.00 N ATOM 275 CA ARG A 22 -0.392 15.751 2.321 1.00 0.00 C ATOM 276 C ARG A 22 -0.039 14.425 1.652 1.00 0.00 C ATOM 277 O ARG A 22 -0.609 14.067 0.622 1.00 0.00 O ATOM 278 CB ARG A 22 -0.483 16.857 1.268 1.00 0.00 C ATOM 279 CG ARG A 22 -0.981 18.183 1.819 1.00 0.00 C ATOM 280 CD ARG A 22 -0.943 19.275 0.762 1.00 0.00 C ATOM 281 NE ARG A 22 -1.973 20.287 0.982 1.00 0.00 N ATOM 282 CZ ARG A 22 -1.986 21.107 2.027 1.00 0.00 C ATOM 283 NH1 ARG A 22 -1.029 21.037 2.942 1.00 0.00 N ATOM 284 NH2 ARG A 22 -2.957 22.002 2.157 1.00 0.00 N ATOM 0 H ARG A 22 1.562 16.069 3.014 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.360 15.645 2.811 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.501 17.005 0.823 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.149 16.532 0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.001 18.066 2.186 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.368 18.478 2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.038 19.750 0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.077 18.830 -0.224 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.723 20.369 0.296 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.280 20.352 2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.042 21.668 3.743 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.694 22.061 1.454 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.966 22.631 2.960 1.00 0.00 H new ATOM 298 N SER A 23 0.906 13.702 2.246 1.00 0.00 N ATOM 299 CA SER A 23 1.338 12.418 1.706 1.00 0.00 C ATOM 300 C SER A 23 2.037 11.586 2.776 1.00 0.00 C ATOM 301 O SER A 23 2.246 12.048 3.899 1.00 0.00 O ATOM 302 CB SER A 23 2.276 12.632 0.516 1.00 0.00 C ATOM 303 OG SER A 23 3.628 12.683 0.936 1.00 0.00 O ATOM 0 H SER A 23 1.386 13.984 3.101 1.00 0.00 H new ATOM 0 HA SER A 23 0.454 11.876 1.370 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.146 11.824 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.015 13.559 0.005 1.00 0.00 H new ATOM 0 HG SER A 23 3.691 13.181 1.777 1.00 0.00 H new ATOM 309 N ILE A 24 2.396 10.357 2.421 1.00 0.00 N ATOM 310 CA ILE A 24 3.073 9.461 3.350 1.00 0.00 C ATOM 311 C ILE A 24 3.970 8.476 2.608 1.00 0.00 C ATOM 312 O ILE A 24 3.592 7.935 1.568 1.00 0.00 O ATOM 313 CB ILE A 24 2.065 8.674 4.208 1.00 0.00 C ATOM 314 CG1 ILE A 24 1.013 9.619 4.792 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.786 7.923 5.317 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.034 8.915 5.628 1.00 0.00 C ATOM 0 H ILE A 24 2.229 9.959 1.497 1.00 0.00 H new ATOM 0 HA ILE A 24 3.684 10.085 4.002 1.00 0.00 H new ATOM 0 HB ILE A 24 1.560 7.946 3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.511 10.370 5.405 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.520 10.149 3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.060 7.372 5.915 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.500 7.226 4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.315 8.633 5.953 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.747 9.646 6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.559 8.183 5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.448 8.408 6.464 1.00 0.00 H new ATOM 328 N THR A 25 5.162 8.244 3.151 1.00 0.00 N ATOM 329 CA THR A 25 6.113 7.324 2.542 1.00 0.00 C ATOM 330 C THR A 25 6.128 5.986 3.272 1.00 0.00 C ATOM 331 O THR A 25 6.004 5.933 4.496 1.00 0.00 O ATOM 332 CB THR A 25 7.538 7.909 2.538 1.00 0.00 C ATOM 333 OG1 THR A 25 7.538 9.194 1.905 1.00 0.00 O ATOM 334 CG2 THR A 25 8.502 6.981 1.815 1.00 0.00 C ATOM 0 H THR A 25 5.491 8.681 4.012 1.00 0.00 H new ATOM 0 HA THR A 25 5.788 7.170 1.513 1.00 0.00 H new ATOM 0 HB THR A 25 7.867 8.014 3.572 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.447 9.560 1.908 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.502 7.415 1.825 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.521 6.014 2.317 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.175 6.848 0.784 1.00 0.00 H new ATOM 342 N LEU A 26 6.280 4.905 2.514 1.00 0.00 N ATOM 343 CA LEU A 26 6.312 3.565 3.089 1.00 0.00 C ATOM 344 C LEU A 26 7.289 2.671 2.333 1.00 0.00 C ATOM 345 O LEU A 26 7.737 3.010 1.238 1.00 0.00 O ATOM 346 CB LEU A 26 4.914 2.946 3.067 1.00 0.00 C ATOM 347 CG LEU A 26 3.768 3.859 3.504 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.475 3.465 2.808 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.597 3.813 5.016 1.00 0.00 C ATOM 0 H LEU A 26 6.383 4.931 1.500 1.00 0.00 H new ATOM 0 HA LEU A 26 6.650 3.648 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.709 2.598 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.918 2.067 3.712 1.00 0.00 H new ATOM 0 HG LEU A 26 4.014 4.881 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.671 4.126 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.602 3.550 1.729 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.223 2.436 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.777 4.469 5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.374 2.792 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.517 4.145 5.497 1.00 0.00 H new ATOM 361 N SER A 27 7.614 1.525 2.924 1.00 0.00 N ATOM 362 CA SER A 27 8.539 0.582 2.306 1.00 0.00 C ATOM 363 C SER A 27 8.312 -0.829 2.839 1.00 0.00 C ATOM 364 O SER A 27 7.970 -1.016 4.007 1.00 0.00 O ATOM 365 CB SER A 27 9.985 1.010 2.564 1.00 0.00 C ATOM 366 OG SER A 27 10.890 0.241 1.792 1.00 0.00 O ATOM 0 H SER A 27 7.251 1.228 3.829 1.00 0.00 H new ATOM 0 HA SER A 27 8.354 0.581 1.232 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.103 2.066 2.323 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.218 0.896 3.623 1.00 0.00 H new ATOM 0 HG SER A 27 11.807 0.535 1.974 1.00 0.00 H new ATOM 372 N TRP A 28 8.504 -1.819 1.975 1.00 0.00 N ATOM 373 CA TRP A 28 8.320 -3.214 2.358 1.00 0.00 C ATOM 374 C TRP A 28 9.396 -4.096 1.733 1.00 0.00 C ATOM 375 O TRP A 28 9.870 -3.847 0.625 1.00 0.00 O ATOM 376 CB TRP A 28 6.934 -3.702 1.934 1.00 0.00 C ATOM 377 CG TRP A 28 6.622 -3.429 0.494 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.793 -4.283 -0.558 1.00 0.00 C ATOM 379 CD2 TRP A 28 6.087 -2.219 -0.052 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.396 -3.677 -1.725 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.959 -2.410 -1.442 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.703 -0.993 0.497 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.463 -1.420 -2.287 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.211 -0.011 -0.343 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.094 -0.230 -1.722 1.00 0.00 C ATOM 0 H TRP A 28 8.787 -1.682 1.005 1.00 0.00 H new ATOM 0 HA TRP A 28 8.405 -3.282 3.443 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.863 -4.774 2.117 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.181 -3.222 2.559 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.183 -5.287 -0.483 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.422 -4.102 -2.652 1.00 0.00 H new ATOM 0 HE3 TRP A 28 5.789 -0.815 1.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.373 -1.586 -3.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.912 0.941 0.071 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.705 0.556 -2.352 1.00 0.00 H new ATOM 396 N PRO A 29 9.791 -5.153 2.458 1.00 0.00 N ATOM 397 CA PRO A 29 10.815 -6.094 1.994 1.00 0.00 C ATOM 398 C PRO A 29 10.329 -6.951 0.829 1.00 0.00 C ATOM 399 O PRO A 29 9.128 -7.162 0.662 1.00 0.00 O ATOM 400 CB PRO A 29 11.081 -6.965 3.224 1.00 0.00 C ATOM 401 CG PRO A 29 9.824 -6.889 4.021 1.00 0.00 C ATOM 402 CD PRO A 29 9.268 -5.511 3.788 1.00 0.00 C ATOM 0 HA PRO A 29 11.701 -5.580 1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.308 -7.993 2.940 1.00 0.00 H new ATOM 0 HB3 PRO A 29 11.934 -6.596 3.794 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.115 -7.654 3.705 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.023 -7.056 5.080 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.178 -5.509 3.805 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.600 -4.809 4.553 1.00 0.00 H new ATOM 410 N GLN A 30 11.270 -7.441 0.029 1.00 0.00 N ATOM 411 CA GLN A 30 10.936 -8.275 -1.120 1.00 0.00 C ATOM 412 C GLN A 30 10.807 -9.738 -0.711 1.00 0.00 C ATOM 413 O GLN A 30 11.688 -10.308 -0.066 1.00 0.00 O ATOM 414 CB GLN A 30 12.000 -8.129 -2.209 1.00 0.00 C ATOM 415 CG GLN A 30 11.504 -8.496 -3.598 1.00 0.00 C ATOM 416 CD GLN A 30 11.702 -9.964 -3.920 1.00 0.00 C ATOM 417 OE1 GLN A 30 12.654 -10.591 -3.452 1.00 0.00 O ATOM 418 NE2 GLN A 30 10.803 -10.521 -4.722 1.00 0.00 N ATOM 0 H GLN A 30 12.269 -7.275 0.155 1.00 0.00 H new ATOM 0 HA GLN A 30 9.976 -7.941 -1.513 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.357 -7.099 -2.220 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.853 -8.760 -1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.445 -8.250 -3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.028 -7.892 -4.338 1.00 0.00 H new ATOM 0 HE21 GLN A 30 10.030 -9.964 -5.087 1.00 0.00 H new ATOM 0 HE22 GLN A 30 10.885 -11.506 -4.974 1.00 0.00 H new ATOM 427 N PRO A 31 9.684 -10.363 -1.094 1.00 0.00 N ATOM 428 CA PRO A 31 9.413 -11.769 -0.778 1.00 0.00 C ATOM 429 C PRO A 31 10.322 -12.721 -1.548 1.00 0.00 C ATOM 430 O PRO A 31 10.813 -12.389 -2.626 1.00 0.00 O ATOM 431 CB PRO A 31 7.956 -11.955 -1.208 1.00 0.00 C ATOM 432 CG PRO A 31 7.735 -10.919 -2.255 1.00 0.00 C ATOM 433 CD PRO A 31 8.592 -9.746 -1.864 1.00 0.00 C ATOM 0 HA PRO A 31 9.593 -11.993 0.274 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.784 -12.957 -1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.275 -11.820 -0.368 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.013 -11.294 -3.240 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.684 -10.634 -2.307 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.967 -9.214 -2.738 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.036 -9.024 -1.266 1.00 0.00 H new ATOM 441 N GLU A 32 10.541 -13.907 -0.987 1.00 0.00 N ATOM 442 CA GLU A 32 11.391 -14.906 -1.622 1.00 0.00 C ATOM 443 C GLU A 32 10.553 -16.033 -2.219 1.00 0.00 C ATOM 444 O GLU A 32 11.088 -16.977 -2.800 1.00 0.00 O ATOM 445 CB GLU A 32 12.387 -15.477 -0.611 1.00 0.00 C ATOM 446 CG GLU A 32 11.728 -16.183 0.562 1.00 0.00 C ATOM 447 CD GLU A 32 12.706 -17.016 1.367 1.00 0.00 C ATOM 448 OE1 GLU A 32 13.688 -16.444 1.884 1.00 0.00 O ATOM 449 OE2 GLU A 32 12.489 -18.241 1.480 1.00 0.00 O ATOM 0 H GLU A 32 10.141 -14.198 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 32 11.941 -14.419 -2.428 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.048 -16.178 -1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 32 13.012 -14.668 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.266 -15.442 1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.929 -16.825 0.192 1.00 0.00 H new ATOM 456 N GLN A 33 9.236 -15.927 -2.070 1.00 0.00 N ATOM 457 CA GLN A 33 8.325 -16.937 -2.592 1.00 0.00 C ATOM 458 C GLN A 33 7.243 -16.299 -3.458 1.00 0.00 C ATOM 459 O GLN A 33 6.057 -16.607 -3.339 1.00 0.00 O ATOM 460 CB GLN A 33 7.682 -17.717 -1.444 1.00 0.00 C ATOM 461 CG GLN A 33 8.470 -18.949 -1.029 1.00 0.00 C ATOM 462 CD GLN A 33 8.100 -19.439 0.357 1.00 0.00 C ATOM 463 OE1 GLN A 33 8.238 -18.714 1.342 1.00 0.00 O ATOM 464 NE2 GLN A 33 7.625 -20.677 0.440 1.00 0.00 N ATOM 0 H GLN A 33 8.777 -15.152 -1.592 1.00 0.00 H new ATOM 0 HA GLN A 33 8.901 -17.625 -3.211 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.575 -17.057 -0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.678 -18.021 -1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.296 -19.747 -1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.535 -18.721 -1.057 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.527 -21.243 -0.403 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.358 -21.061 1.346 1.00 0.00 H new ATOM 473 N PRO A 34 7.659 -15.388 -4.350 1.00 0.00 N ATOM 474 CA PRO A 34 6.741 -14.687 -5.253 1.00 0.00 C ATOM 475 C PRO A 34 6.160 -15.610 -6.319 1.00 0.00 C ATOM 476 O PRO A 34 5.405 -15.173 -7.186 1.00 0.00 O ATOM 477 CB PRO A 34 7.625 -13.616 -5.896 1.00 0.00 C ATOM 478 CG PRO A 34 9.007 -14.167 -5.815 1.00 0.00 C ATOM 479 CD PRO A 34 9.058 -14.972 -4.546 1.00 0.00 C ATOM 0 HA PRO A 34 5.877 -14.284 -4.725 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.333 -13.430 -6.930 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.546 -12.667 -5.366 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.230 -14.790 -6.681 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.746 -13.366 -5.799 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.723 -15.830 -4.641 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.422 -14.378 -3.708 1.00 0.00 H new ATOM 487 N ASN A 35 6.518 -16.888 -6.248 1.00 0.00 N ATOM 488 CA ASN A 35 6.032 -17.872 -7.208 1.00 0.00 C ATOM 489 C ASN A 35 6.208 -17.370 -8.638 1.00 0.00 C ATOM 490 O ASN A 35 5.454 -17.744 -9.536 1.00 0.00 O ATOM 491 CB ASN A 35 4.558 -18.188 -6.945 1.00 0.00 C ATOM 492 CG ASN A 35 4.367 -19.096 -5.745 1.00 0.00 C ATOM 493 OD1 ASN A 35 3.788 -20.177 -5.858 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.853 -18.660 -4.589 1.00 0.00 N ATOM 0 H ASN A 35 7.143 -17.266 -5.536 1.00 0.00 H new ATOM 0 HA ASN A 35 6.619 -18.782 -7.086 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.013 -17.258 -6.784 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.127 -18.661 -7.828 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.754 -19.228 -3.747 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.326 -17.757 -4.542 1.00 0.00 H new ATOM 501 N GLY A 36 7.211 -16.522 -8.842 1.00 0.00 N ATOM 502 CA GLY A 36 7.469 -15.983 -10.165 1.00 0.00 C ATOM 503 C GLY A 36 7.915 -14.535 -10.124 1.00 0.00 C ATOM 504 O GLY A 36 7.864 -13.892 -9.075 1.00 0.00 O ATOM 0 H GLY A 36 7.849 -16.199 -8.115 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.236 -16.583 -10.655 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.566 -16.065 -10.770 1.00 0.00 H new ATOM 508 N ILE A 37 8.354 -14.020 -11.268 1.00 0.00 N ATOM 509 CA ILE A 37 8.811 -12.639 -11.358 1.00 0.00 C ATOM 510 C ILE A 37 7.673 -11.664 -11.072 1.00 0.00 C ATOM 511 O ILE A 37 6.745 -11.527 -11.870 1.00 0.00 O ATOM 512 CB ILE A 37 9.400 -12.330 -12.747 1.00 0.00 C ATOM 513 CG1 ILE A 37 10.535 -13.304 -13.071 1.00 0.00 C ATOM 514 CG2 ILE A 37 9.896 -10.893 -12.804 1.00 0.00 C ATOM 515 CD1 ILE A 37 10.694 -13.575 -14.551 1.00 0.00 C ATOM 0 H ILE A 37 8.403 -14.539 -12.145 1.00 0.00 H new ATOM 0 HA ILE A 37 9.591 -12.515 -10.606 1.00 0.00 H new ATOM 0 HB ILE A 37 8.616 -12.453 -13.494 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.470 -12.902 -12.681 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.353 -14.246 -12.555 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.309 -10.690 -13.792 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.066 -10.214 -12.611 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.669 -10.745 -12.050 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.516 -14.273 -14.707 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.773 -14.006 -14.943 1.00 0.00 H new ATOM 0 HD13 ILE A 37 10.908 -12.641 -15.071 1.00 0.00 H new ATOM 527 N ILE A 38 7.753 -10.988 -9.931 1.00 0.00 N ATOM 528 CA ILE A 38 6.732 -10.024 -9.542 1.00 0.00 C ATOM 529 C ILE A 38 6.664 -8.866 -10.531 1.00 0.00 C ATOM 530 O ILE A 38 7.595 -8.065 -10.632 1.00 0.00 O ATOM 531 CB ILE A 38 6.994 -9.465 -8.131 1.00 0.00 C ATOM 532 CG1 ILE A 38 6.962 -10.593 -7.098 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.969 -8.394 -7.787 1.00 0.00 C ATOM 534 CD1 ILE A 38 7.191 -10.119 -5.680 1.00 0.00 C ATOM 0 H ILE A 38 8.514 -11.090 -9.260 1.00 0.00 H new ATOM 0 HA ILE A 38 5.780 -10.555 -9.542 1.00 0.00 H new ATOM 0 HB ILE A 38 7.985 -9.011 -8.114 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.997 -11.098 -7.153 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.723 -11.331 -7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 38 6.167 -8.009 -6.787 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.036 -7.581 -8.509 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.968 -8.825 -7.818 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.155 -10.971 -5.001 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.168 -9.640 -5.610 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.416 -9.404 -5.406 1.00 0.00 H new ATOM 546 N LEU A 39 5.557 -8.781 -11.260 1.00 0.00 N ATOM 547 CA LEU A 39 5.365 -7.718 -12.241 1.00 0.00 C ATOM 548 C LEU A 39 5.429 -6.346 -11.578 1.00 0.00 C ATOM 549 O LEU A 39 6.255 -5.508 -11.940 1.00 0.00 O ATOM 550 CB LEU A 39 4.023 -7.891 -12.954 1.00 0.00 C ATOM 551 CG LEU A 39 3.768 -9.262 -13.581 1.00 0.00 C ATOM 552 CD1 LEU A 39 2.277 -9.563 -13.618 1.00 0.00 C ATOM 553 CD2 LEU A 39 4.362 -9.328 -14.980 1.00 0.00 C ATOM 0 H LEU A 39 4.778 -9.436 -11.191 1.00 0.00 H new ATOM 0 HA LEU A 39 6.170 -7.784 -12.973 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.226 -7.687 -12.239 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.950 -7.136 -13.737 1.00 0.00 H new ATOM 0 HG LEU A 39 4.255 -10.018 -12.965 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.115 -10.543 -14.067 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.880 -9.559 -12.603 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.767 -8.803 -14.210 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.171 -10.311 -15.410 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.904 -8.562 -15.606 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.437 -9.158 -14.927 1.00 0.00 H new ATOM 565 N ASP A 40 4.553 -6.125 -10.604 1.00 0.00 N ATOM 566 CA ASP A 40 4.512 -4.856 -9.886 1.00 0.00 C ATOM 567 C ASP A 40 3.881 -5.031 -8.509 1.00 0.00 C ATOM 568 O ASP A 40 3.475 -6.132 -8.136 1.00 0.00 O ATOM 569 CB ASP A 40 3.730 -3.817 -10.691 1.00 0.00 C ATOM 570 CG ASP A 40 3.974 -3.936 -12.183 1.00 0.00 C ATOM 571 OD1 ASP A 40 3.467 -4.901 -12.791 1.00 0.00 O ATOM 572 OD2 ASP A 40 4.672 -3.064 -12.741 1.00 0.00 O ATOM 0 H ASP A 40 3.862 -6.808 -10.293 1.00 0.00 H new ATOM 0 HA ASP A 40 5.536 -4.507 -9.754 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.665 -3.932 -10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.011 -2.818 -10.359 1.00 0.00 H new ATOM 577 N TYR A 41 3.802 -3.938 -7.757 1.00 0.00 N ATOM 578 CA TYR A 41 3.224 -3.971 -6.419 1.00 0.00 C ATOM 579 C TYR A 41 2.075 -2.976 -6.297 1.00 0.00 C ATOM 580 O TYR A 41 2.262 -1.772 -6.468 1.00 0.00 O ATOM 581 CB TYR A 41 4.294 -3.662 -5.370 1.00 0.00 C ATOM 582 CG TYR A 41 5.426 -4.665 -5.347 1.00 0.00 C ATOM 583 CD1 TYR A 41 6.536 -4.508 -6.169 1.00 0.00 C ATOM 584 CD2 TYR A 41 5.386 -5.768 -4.503 1.00 0.00 C ATOM 585 CE1 TYR A 41 7.572 -5.422 -6.152 1.00 0.00 C ATOM 586 CE2 TYR A 41 6.419 -6.685 -4.478 1.00 0.00 C ATOM 587 CZ TYR A 41 7.509 -6.508 -5.304 1.00 0.00 C ATOM 588 OH TYR A 41 8.539 -7.421 -5.283 1.00 0.00 O ATOM 0 H TYR A 41 4.131 -3.019 -8.052 1.00 0.00 H new ATOM 0 HA TYR A 41 2.833 -4.973 -6.245 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.703 -2.670 -5.561 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.827 -3.630 -4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.589 -3.657 -6.832 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.533 -5.911 -3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.426 -5.287 -6.799 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.373 -7.536 -3.815 1.00 0.00 H new ATOM 0 HH TYR A 41 9.374 -6.966 -5.047 1.00 0.00 H new ATOM 598 N GLU A 42 0.885 -3.489 -6.000 1.00 0.00 N ATOM 599 CA GLU A 42 -0.296 -2.645 -5.856 1.00 0.00 C ATOM 600 C GLU A 42 -0.482 -2.214 -4.404 1.00 0.00 C ATOM 601 O GLU A 42 -0.292 -3.006 -3.481 1.00 0.00 O ATOM 602 CB GLU A 42 -1.542 -3.387 -6.343 1.00 0.00 C ATOM 603 CG GLU A 42 -2.644 -2.465 -6.839 1.00 0.00 C ATOM 604 CD GLU A 42 -3.545 -1.978 -5.721 1.00 0.00 C ATOM 605 OE1 GLU A 42 -4.203 -2.822 -5.078 1.00 0.00 O ATOM 606 OE2 GLU A 42 -3.591 -0.751 -5.489 1.00 0.00 O ATOM 0 H GLU A 42 0.713 -4.484 -5.855 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.151 -1.753 -6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.259 -4.067 -7.147 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.931 -4.000 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.196 -1.607 -7.340 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.245 -2.990 -7.582 1.00 0.00 H new ATOM 613 N ILE A 43 -0.853 -0.953 -4.211 1.00 0.00 N ATOM 614 CA ILE A 43 -1.065 -0.416 -2.873 1.00 0.00 C ATOM 615 C ILE A 43 -2.499 0.070 -2.696 1.00 0.00 C ATOM 616 O ILE A 43 -3.065 0.704 -3.587 1.00 0.00 O ATOM 617 CB ILE A 43 -0.100 0.747 -2.573 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.320 0.218 -2.361 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.570 1.523 -1.352 1.00 0.00 C ATOM 620 CD1 ILE A 43 2.114 0.090 -3.642 1.00 0.00 C ATOM 0 H ILE A 43 -1.013 -0.284 -4.964 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.870 -1.229 -2.173 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.092 1.423 -3.428 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.849 0.884 -1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.267 -0.757 -1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.122 2.341 -1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.565 1.926 -1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.604 0.858 -0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.110 -0.290 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.607 -0.599 -4.317 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.198 1.067 -4.117 1.00 0.00 H new ATOM 632 N ARG A 44 -3.082 -0.230 -1.540 1.00 0.00 N ATOM 633 CA ARG A 44 -4.451 0.177 -1.246 1.00 0.00 C ATOM 634 C ARG A 44 -4.504 1.036 0.014 1.00 0.00 C ATOM 635 O ARG A 44 -4.175 0.573 1.107 1.00 0.00 O ATOM 636 CB ARG A 44 -5.346 -1.052 -1.077 1.00 0.00 C ATOM 637 CG ARG A 44 -6.829 -0.723 -1.023 1.00 0.00 C ATOM 638 CD ARG A 44 -7.453 -0.740 -2.409 1.00 0.00 C ATOM 639 NE ARG A 44 -7.357 -2.055 -3.037 1.00 0.00 N ATOM 640 CZ ARG A 44 -8.159 -3.071 -2.740 1.00 0.00 C ATOM 641 NH1 ARG A 44 -9.112 -2.924 -1.830 1.00 0.00 N ATOM 642 NH2 ARG A 44 -8.009 -4.238 -3.354 1.00 0.00 N ATOM 0 H ARG A 44 -2.628 -0.753 -0.792 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.815 0.770 -2.085 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.165 -1.739 -1.903 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.065 -1.573 -0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.340 -1.443 -0.384 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.969 0.259 -0.572 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.501 -0.448 -2.338 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.958 -0.001 -3.039 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.635 -2.201 -3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.231 -2.029 -1.356 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.726 -3.706 -1.604 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.277 -4.355 -4.055 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.626 -5.018 -3.125 1.00 0.00 H new ATOM 656 N TYR A 45 -4.920 2.287 -0.146 1.00 0.00 N ATOM 657 CA TYR A 45 -5.013 3.211 0.978 1.00 0.00 C ATOM 658 C TYR A 45 -6.420 3.789 1.093 1.00 0.00 C ATOM 659 O TYR A 45 -7.055 4.111 0.088 1.00 0.00 O ATOM 660 CB TYR A 45 -3.996 4.343 0.821 1.00 0.00 C ATOM 661 CG TYR A 45 -4.229 5.201 -0.402 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.769 4.803 -1.652 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.908 6.410 -0.308 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.979 5.584 -2.772 1.00 0.00 C ATOM 665 CE2 TYR A 45 -5.123 7.196 -1.423 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.657 6.779 -2.652 1.00 0.00 C ATOM 667 OH TYR A 45 -4.869 7.561 -3.765 1.00 0.00 O ATOM 0 H TYR A 45 -5.198 2.685 -1.043 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.792 2.657 1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.028 4.974 1.709 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.995 3.916 0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.238 3.867 -1.749 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.274 6.740 0.653 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.614 5.261 -3.736 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.653 8.132 -1.333 1.00 0.00 H new ATOM 0 HH TYR A 45 -5.362 8.368 -3.509 1.00 0.00 H new ATOM 677 N TYR A 46 -6.900 3.919 2.324 1.00 0.00 N ATOM 678 CA TYR A 46 -8.233 4.457 2.572 1.00 0.00 C ATOM 679 C TYR A 46 -8.338 5.024 3.985 1.00 0.00 C ATOM 680 O TYR A 46 -7.496 4.749 4.839 1.00 0.00 O ATOM 681 CB TYR A 46 -9.290 3.371 2.367 1.00 0.00 C ATOM 682 CG TYR A 46 -8.991 2.087 3.108 1.00 0.00 C ATOM 683 CD1 TYR A 46 -9.431 1.896 4.412 1.00 0.00 C ATOM 684 CD2 TYR A 46 -8.271 1.065 2.503 1.00 0.00 C ATOM 685 CE1 TYR A 46 -9.159 0.725 5.092 1.00 0.00 C ATOM 686 CE2 TYR A 46 -7.996 -0.110 3.175 1.00 0.00 C ATOM 687 CZ TYR A 46 -8.442 -0.275 4.470 1.00 0.00 C ATOM 688 OH TYR A 46 -8.170 -1.444 5.144 1.00 0.00 O ATOM 0 H TYR A 46 -6.387 3.659 3.166 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.409 5.265 1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.258 3.752 2.693 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.375 3.155 1.302 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.995 2.676 4.902 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.920 1.191 1.489 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.506 0.593 6.106 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.435 -0.895 2.689 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.742 -1.505 5.937 1.00 0.00 H new ATOM 698 N GLU A 47 -9.378 5.817 4.222 1.00 0.00 N ATOM 699 CA GLU A 47 -9.593 6.423 5.530 1.00 0.00 C ATOM 700 C GLU A 47 -9.804 5.352 6.598 1.00 0.00 C ATOM 701 O GLU A 47 -10.571 4.409 6.405 1.00 0.00 O ATOM 702 CB GLU A 47 -10.801 7.362 5.490 1.00 0.00 C ATOM 703 CG GLU A 47 -10.600 8.572 4.593 1.00 0.00 C ATOM 704 CD GLU A 47 -10.942 8.288 3.144 1.00 0.00 C ATOM 705 OE1 GLU A 47 -10.176 7.550 2.488 1.00 0.00 O ATOM 706 OE2 GLU A 47 -11.974 8.802 2.665 1.00 0.00 O ATOM 0 H GLU A 47 -10.084 6.055 3.526 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.703 6.998 5.786 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.672 6.805 5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.020 7.702 6.502 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.219 9.394 4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.563 8.901 4.660 1.00 0.00 H new ATOM 713 N LYS A 48 -9.116 5.506 7.724 1.00 0.00 N ATOM 714 CA LYS A 48 -9.227 4.554 8.824 1.00 0.00 C ATOM 715 C LYS A 48 -10.681 4.383 9.251 1.00 0.00 C ATOM 716 O LYS A 48 -11.031 3.407 9.914 1.00 0.00 O ATOM 717 CB LYS A 48 -8.386 5.020 10.015 1.00 0.00 C ATOM 718 CG LYS A 48 -8.747 4.333 11.320 1.00 0.00 C ATOM 719 CD LYS A 48 -7.926 4.872 12.480 1.00 0.00 C ATOM 720 CE LYS A 48 -8.495 4.430 13.819 1.00 0.00 C ATOM 721 NZ LYS A 48 -9.501 5.396 14.341 1.00 0.00 N ATOM 0 H LYS A 48 -8.476 6.280 7.899 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.853 3.591 8.477 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.333 4.840 9.798 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.507 6.097 10.135 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.808 4.476 11.526 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.583 3.260 11.225 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.896 4.527 12.389 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.902 5.961 12.435 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.956 3.448 13.711 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.685 4.324 14.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.203 4.889 14.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.024 6.111 14.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.979 5.864 13.545 1.00 0.00 H new ATOM 735 N GLU A 49 -11.523 5.338 8.867 1.00 0.00 N ATOM 736 CA GLU A 49 -12.939 5.290 9.210 1.00 0.00 C ATOM 737 C GLU A 49 -13.749 4.643 8.091 1.00 0.00 C ATOM 738 O GLU A 49 -14.868 4.178 8.308 1.00 0.00 O ATOM 739 CB GLU A 49 -13.466 6.700 9.488 1.00 0.00 C ATOM 740 CG GLU A 49 -13.115 7.220 10.872 1.00 0.00 C ATOM 741 CD GLU A 49 -11.672 7.674 10.975 1.00 0.00 C ATOM 742 OE1 GLU A 49 -11.332 8.715 10.374 1.00 0.00 O ATOM 743 OE2 GLU A 49 -10.882 6.988 11.657 1.00 0.00 O ATOM 0 H GLU A 49 -11.249 6.153 8.319 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.049 4.684 10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.064 7.383 8.740 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.550 6.703 9.372 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.773 8.053 11.121 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -13.299 6.437 11.608 1.00 0.00 H new ATOM 750 N HIS A 50 -13.176 4.618 6.892 1.00 0.00 N ATOM 751 CA HIS A 50 -13.844 4.029 5.737 1.00 0.00 C ATOM 752 C HIS A 50 -13.383 2.591 5.518 1.00 0.00 C ATOM 753 O HIS A 50 -12.512 2.093 6.230 1.00 0.00 O ATOM 754 CB HIS A 50 -13.571 4.861 4.484 1.00 0.00 C ATOM 755 CG HIS A 50 -14.386 6.115 4.408 1.00 0.00 C ATOM 756 ND1 HIS A 50 -14.975 6.561 3.244 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.711 7.019 5.362 1.00 0.00 C ATOM 758 CE1 HIS A 50 -15.625 7.685 3.484 1.00 0.00 C ATOM 759 NE2 HIS A 50 -15.481 7.985 4.762 1.00 0.00 N ATOM 0 H HIS A 50 -12.251 4.999 6.695 1.00 0.00 H new ATOM 0 HA HIS A 50 -14.916 4.022 5.933 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.513 5.123 4.455 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -13.773 4.252 3.603 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.419 6.987 6.401 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -16.180 8.261 2.758 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.877 8.801 5.228 1.00 0.00 H new ATOM 768 N ASN A 51 -13.975 1.929 4.529 1.00 0.00 N ATOM 769 CA ASN A 51 -13.625 0.548 4.218 1.00 0.00 C ATOM 770 C ASN A 51 -13.033 0.439 2.816 1.00 0.00 C ATOM 771 O ASN A 51 -12.838 1.445 2.135 1.00 0.00 O ATOM 772 CB ASN A 51 -14.858 -0.351 4.333 1.00 0.00 C ATOM 773 CG ASN A 51 -15.830 -0.149 3.187 1.00 0.00 C ATOM 774 OD1 ASN A 51 -15.800 0.877 2.506 1.00 0.00 O ATOM 775 ND2 ASN A 51 -16.699 -1.129 2.968 1.00 0.00 N ATOM 0 H ASN A 51 -14.699 2.326 3.930 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.875 0.219 4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.543 -1.394 4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.365 -0.148 5.276 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -17.377 -1.049 2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -16.688 -1.962 3.557 1.00 0.00 H new ATOM 782 N GLU A 52 -12.750 -0.789 2.392 1.00 0.00 N ATOM 783 CA GLU A 52 -12.179 -1.028 1.072 1.00 0.00 C ATOM 784 C GLU A 52 -13.068 -0.438 -0.020 1.00 0.00 C ATOM 785 O GLU A 52 -12.582 0.204 -0.951 1.00 0.00 O ATOM 786 CB GLU A 52 -11.992 -2.528 0.837 1.00 0.00 C ATOM 787 CG GLU A 52 -10.859 -3.134 1.646 1.00 0.00 C ATOM 788 CD GLU A 52 -11.073 -4.607 1.939 1.00 0.00 C ATOM 789 OE1 GLU A 52 -11.697 -4.921 2.974 1.00 0.00 O ATOM 790 OE2 GLU A 52 -10.617 -5.444 1.133 1.00 0.00 O ATOM 0 H GLU A 52 -12.907 -1.633 2.943 1.00 0.00 H new ATOM 0 HA GLU A 52 -11.207 -0.537 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -12.920 -3.044 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.803 -2.700 -0.223 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.922 -3.008 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.758 -2.591 2.586 1.00 0.00 H new ATOM 797 N PHE A 53 -14.372 -0.661 0.103 1.00 0.00 N ATOM 798 CA PHE A 53 -15.329 -0.153 -0.873 1.00 0.00 C ATOM 799 C PHE A 53 -14.895 1.211 -1.403 1.00 0.00 C ATOM 800 O PHE A 53 -14.670 1.381 -2.600 1.00 0.00 O ATOM 801 CB PHE A 53 -16.722 -0.050 -0.248 1.00 0.00 C ATOM 802 CG PHE A 53 -17.829 0.035 -1.259 1.00 0.00 C ATOM 803 CD1 PHE A 53 -17.907 -0.879 -2.298 1.00 0.00 C ATOM 804 CD2 PHE A 53 -18.792 1.027 -1.171 1.00 0.00 C ATOM 805 CE1 PHE A 53 -18.924 -0.804 -3.230 1.00 0.00 C ATOM 806 CE2 PHE A 53 -19.811 1.108 -2.101 1.00 0.00 C ATOM 807 CZ PHE A 53 -19.878 0.190 -3.131 1.00 0.00 C ATOM 0 H PHE A 53 -14.790 -1.190 0.868 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.364 -0.853 -1.708 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -16.890 -0.917 0.390 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -16.759 0.830 0.394 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -17.164 -1.659 -2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -18.746 1.746 -0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -18.973 -1.522 -4.035 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -20.554 1.888 -2.023 1.00 0.00 H new ATOM 0 HZ PHE A 53 -20.675 0.249 -3.858 1.00 0.00 H new ATOM 817 N ASN A 54 -14.780 2.180 -0.500 1.00 0.00 N ATOM 818 CA ASN A 54 -14.374 3.530 -0.876 1.00 0.00 C ATOM 819 C ASN A 54 -12.889 3.747 -0.601 1.00 0.00 C ATOM 820 O ASN A 54 -12.513 4.618 0.182 1.00 0.00 O ATOM 821 CB ASN A 54 -15.202 4.565 -0.111 1.00 0.00 C ATOM 822 CG ASN A 54 -16.482 4.932 -0.838 1.00 0.00 C ATOM 823 OD1 ASN A 54 -17.142 4.075 -1.426 1.00 0.00 O ATOM 824 ND2 ASN A 54 -16.837 6.211 -0.800 1.00 0.00 N ATOM 0 H ASN A 54 -14.962 2.056 0.496 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.549 3.652 -1.945 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.447 4.173 0.876 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.604 5.463 0.043 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -17.688 6.518 -1.271 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -16.259 6.886 -0.300 1.00 0.00 H new ATOM 831 N SER A 55 -12.049 2.948 -1.253 1.00 0.00 N ATOM 832 CA SER A 55 -10.606 3.051 -1.077 1.00 0.00 C ATOM 833 C SER A 55 -9.920 3.382 -2.399 1.00 0.00 C ATOM 834 O SER A 55 -10.526 3.289 -3.466 1.00 0.00 O ATOM 835 CB SER A 55 -10.045 1.744 -0.513 1.00 0.00 C ATOM 836 OG SER A 55 -10.227 0.675 -1.425 1.00 0.00 O ATOM 0 H SER A 55 -12.344 2.223 -1.907 1.00 0.00 H new ATOM 0 HA SER A 55 -10.408 3.858 -0.372 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.984 1.864 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.539 1.510 0.430 1.00 0.00 H new ATOM 0 HG SER A 55 -11.182 0.570 -1.620 1.00 0.00 H new ATOM 842 N SER A 56 -8.651 3.770 -2.319 1.00 0.00 N ATOM 843 CA SER A 56 -7.882 4.120 -3.508 1.00 0.00 C ATOM 844 C SER A 56 -6.832 3.054 -3.809 1.00 0.00 C ATOM 845 O SER A 56 -6.595 2.156 -3.002 1.00 0.00 O ATOM 846 CB SER A 56 -7.206 5.480 -3.323 1.00 0.00 C ATOM 847 OG SER A 56 -8.062 6.534 -3.728 1.00 0.00 O ATOM 0 H SER A 56 -8.134 3.850 -1.444 1.00 0.00 H new ATOM 0 HA SER A 56 -8.570 4.176 -4.352 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.930 5.613 -2.277 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.284 5.513 -3.903 1.00 0.00 H new ATOM 0 HG SER A 56 -7.677 7.392 -3.453 1.00 0.00 H new ATOM 853 N MET A 57 -6.206 3.162 -4.976 1.00 0.00 N ATOM 854 CA MET A 57 -5.181 2.209 -5.384 1.00 0.00 C ATOM 855 C MET A 57 -3.991 2.927 -6.013 1.00 0.00 C ATOM 856 O MET A 57 -4.132 4.022 -6.558 1.00 0.00 O ATOM 857 CB MET A 57 -5.760 1.196 -6.372 1.00 0.00 C ATOM 858 CG MET A 57 -6.876 0.346 -5.787 1.00 0.00 C ATOM 859 SD MET A 57 -7.642 -0.734 -7.011 1.00 0.00 S ATOM 860 CE MET A 57 -7.107 -2.341 -6.428 1.00 0.00 C ATOM 0 H MET A 57 -6.391 3.900 -5.656 1.00 0.00 H new ATOM 0 HA MET A 57 -4.836 1.682 -4.495 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.139 1.728 -7.245 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.960 0.542 -6.720 1.00 0.00 H new ATOM 0 HG2 MET A 57 -6.478 -0.259 -4.973 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.636 0.998 -5.357 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.827 -2.962 -7.279 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.248 -2.221 -5.768 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.920 -2.819 -5.882 1.00 0.00 H new ATOM 870 N ALA A 58 -2.820 2.304 -5.934 1.00 0.00 N ATOM 871 CA ALA A 58 -1.606 2.883 -6.497 1.00 0.00 C ATOM 872 C ALA A 58 -0.585 1.800 -6.831 1.00 0.00 C ATOM 873 O ALA A 58 -0.208 1.004 -5.972 1.00 0.00 O ATOM 874 CB ALA A 58 -1.008 3.896 -5.533 1.00 0.00 C ATOM 0 H ALA A 58 -2.686 1.398 -5.485 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.872 3.393 -7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.102 4.320 -5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.729 4.692 -5.348 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.763 3.403 -4.592 1.00 0.00 H new ATOM 880 N ARG A 59 -0.143 1.777 -8.084 1.00 0.00 N ATOM 881 CA ARG A 59 0.833 0.791 -8.532 1.00 0.00 C ATOM 882 C ARG A 59 2.252 1.341 -8.419 1.00 0.00 C ATOM 883 O ARG A 59 2.462 2.553 -8.437 1.00 0.00 O ATOM 884 CB ARG A 59 0.548 0.379 -9.977 1.00 0.00 C ATOM 885 CG ARG A 59 -0.656 -0.538 -10.123 1.00 0.00 C ATOM 886 CD ARG A 59 -1.309 -0.387 -11.487 1.00 0.00 C ATOM 887 NE ARG A 59 -2.277 0.707 -11.513 1.00 0.00 N ATOM 888 CZ ARG A 59 -3.395 0.716 -10.795 1.00 0.00 C ATOM 889 NH1 ARG A 59 -3.684 -0.305 -9.999 1.00 0.00 N ATOM 890 NH2 ARG A 59 -4.226 1.747 -10.872 1.00 0.00 N ATOM 0 H ARG A 59 -0.445 2.430 -8.807 1.00 0.00 H new ATOM 0 HA ARG A 59 0.748 -0.085 -7.889 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.386 1.275 -10.576 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.427 -0.122 -10.383 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.346 -1.573 -9.980 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.383 -0.312 -9.343 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.540 -0.209 -12.239 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.807 -1.318 -11.755 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.084 1.507 -12.115 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.047 -1.099 -9.937 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -4.543 -0.296 -9.449 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.007 2.534 -11.483 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -5.084 1.753 -10.320 1.00 0.00 H new ATOM 904 N SER A 60 3.222 0.440 -8.302 1.00 0.00 N ATOM 905 CA SER A 60 4.621 0.834 -8.181 1.00 0.00 C ATOM 906 C SER A 60 5.537 -0.215 -8.806 1.00 0.00 C ATOM 907 O SER A 60 5.228 -1.406 -8.798 1.00 0.00 O ATOM 908 CB SER A 60 4.990 1.040 -6.711 1.00 0.00 C ATOM 909 OG SER A 60 6.284 1.605 -6.584 1.00 0.00 O ATOM 0 H SER A 60 3.065 -0.568 -8.288 1.00 0.00 H new ATOM 0 HA SER A 60 4.756 1.774 -8.716 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.257 1.692 -6.237 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.954 0.085 -6.186 1.00 0.00 H new ATOM 0 HG SER A 60 6.691 1.305 -5.744 1.00 0.00 H new ATOM 915 N GLN A 61 6.664 0.239 -9.345 1.00 0.00 N ATOM 916 CA GLN A 61 7.624 -0.660 -9.974 1.00 0.00 C ATOM 917 C GLN A 61 8.676 -1.121 -8.971 1.00 0.00 C ATOM 918 O GLN A 61 9.498 -1.989 -9.270 1.00 0.00 O ATOM 919 CB GLN A 61 8.302 0.032 -11.158 1.00 0.00 C ATOM 920 CG GLN A 61 7.338 0.423 -12.267 1.00 0.00 C ATOM 921 CD GLN A 61 6.740 1.801 -12.061 1.00 0.00 C ATOM 922 OE1 GLN A 61 7.457 2.800 -12.004 1.00 0.00 O ATOM 923 NE2 GLN A 61 5.418 1.862 -11.948 1.00 0.00 N ATOM 0 H GLN A 61 6.934 1.222 -9.359 1.00 0.00 H new ATOM 0 HA GLN A 61 7.082 -1.535 -10.334 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.814 0.926 -10.801 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.065 -0.631 -11.567 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.860 0.397 -13.223 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.536 -0.313 -12.322 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.862 1.009 -12.001 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.959 2.762 -11.808 1.00 0.00 H new ATOM 932 N THR A 62 8.646 -0.536 -7.777 1.00 0.00 N ATOM 933 CA THR A 62 9.597 -0.886 -6.730 1.00 0.00 C ATOM 934 C THR A 62 8.881 -1.210 -5.423 1.00 0.00 C ATOM 935 O THR A 62 7.668 -1.040 -5.310 1.00 0.00 O ATOM 936 CB THR A 62 10.604 0.252 -6.482 1.00 0.00 C ATOM 937 OG1 THR A 62 11.252 0.067 -5.219 1.00 0.00 O ATOM 938 CG2 THR A 62 9.908 1.605 -6.507 1.00 0.00 C ATOM 0 H THR A 62 7.973 0.183 -7.512 1.00 0.00 H new ATOM 0 HA THR A 62 10.136 -1.769 -7.075 1.00 0.00 H new ATOM 0 HB THR A 62 11.348 0.229 -7.278 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.156 0.442 -5.257 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.639 2.394 -6.329 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.441 1.756 -7.480 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.145 1.636 -5.729 1.00 0.00 H new ATOM 946 N ASN A 63 9.641 -1.677 -4.438 1.00 0.00 N ATOM 947 CA ASN A 63 9.079 -2.024 -3.138 1.00 0.00 C ATOM 948 C ASN A 63 8.956 -0.789 -2.251 1.00 0.00 C ATOM 949 O ASN A 63 8.893 -0.894 -1.025 1.00 0.00 O ATOM 950 CB ASN A 63 9.948 -3.077 -2.447 1.00 0.00 C ATOM 951 CG ASN A 63 9.511 -4.492 -2.774 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.349 -4.850 -3.940 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.318 -5.304 -1.741 1.00 0.00 N ATOM 0 H ASN A 63 10.647 -1.824 -4.515 1.00 0.00 H new ATOM 0 HA ASN A 63 8.082 -2.434 -3.300 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.987 -2.942 -2.748 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.907 -2.927 -1.368 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.023 -6.268 -1.898 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.464 -4.964 -0.791 1.00 0.00 H new ATOM 960 N THR A 64 8.922 0.383 -2.878 1.00 0.00 N ATOM 961 CA THR A 64 8.808 1.638 -2.147 1.00 0.00 C ATOM 962 C THR A 64 7.970 2.650 -2.920 1.00 0.00 C ATOM 963 O THR A 64 8.303 3.013 -4.048 1.00 0.00 O ATOM 964 CB THR A 64 10.192 2.249 -1.858 1.00 0.00 C ATOM 965 OG1 THR A 64 10.046 3.465 -1.116 1.00 0.00 O ATOM 966 CG2 THR A 64 10.943 2.525 -3.152 1.00 0.00 C ATOM 0 H THR A 64 8.972 0.488 -3.891 1.00 0.00 H new ATOM 0 HA THR A 64 8.316 1.409 -1.202 1.00 0.00 H new ATOM 0 HB THR A 64 10.765 1.532 -1.270 1.00 0.00 H new ATOM 0 HG1 THR A 64 9.378 3.339 -0.410 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.917 2.956 -2.922 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.079 1.593 -3.700 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.372 3.224 -3.762 1.00 0.00 H new ATOM 974 N ALA A 65 6.882 3.103 -2.307 1.00 0.00 N ATOM 975 CA ALA A 65 5.998 4.076 -2.937 1.00 0.00 C ATOM 976 C ALA A 65 5.371 5.001 -1.900 1.00 0.00 C ATOM 977 O ALA A 65 5.169 4.613 -0.749 1.00 0.00 O ATOM 978 CB ALA A 65 4.916 3.366 -3.736 1.00 0.00 C ATOM 0 H ALA A 65 6.591 2.812 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 65 6.595 4.686 -3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.263 4.105 -4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.378 2.752 -4.509 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.330 2.731 -3.071 1.00 0.00 H new ATOM 984 N ARG A 66 5.066 6.227 -2.314 1.00 0.00 N ATOM 985 CA ARG A 66 4.464 7.208 -1.420 1.00 0.00 C ATOM 986 C ARG A 66 3.036 7.531 -1.849 1.00 0.00 C ATOM 987 O ARG A 66 2.732 7.580 -3.041 1.00 0.00 O ATOM 988 CB ARG A 66 5.301 8.488 -1.394 1.00 0.00 C ATOM 989 CG ARG A 66 4.489 9.742 -1.114 1.00 0.00 C ATOM 990 CD ARG A 66 3.943 10.350 -2.396 1.00 0.00 C ATOM 991 NE ARG A 66 4.953 10.401 -3.450 1.00 0.00 N ATOM 992 CZ ARG A 66 5.981 11.242 -3.442 1.00 0.00 C ATOM 993 NH1 ARG A 66 6.136 12.097 -2.440 1.00 0.00 N ATOM 994 NH2 ARG A 66 6.859 11.229 -4.438 1.00 0.00 N ATOM 0 H ARG A 66 5.226 6.564 -3.263 1.00 0.00 H new ATOM 0 HA ARG A 66 4.436 6.779 -0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.076 8.390 -0.634 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.808 8.600 -2.353 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.664 9.500 -0.444 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.113 10.473 -0.600 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.089 9.766 -2.740 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.579 11.357 -2.193 1.00 0.00 H new ATOM 0 HE ARG A 66 4.864 9.756 -4.235 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.465 12.110 -1.672 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.927 12.741 -2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 66 6.744 10.573 -5.210 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.648 11.875 -4.431 1.00 0.00 H new ATOM 1008 N ILE A 67 2.164 7.749 -0.870 1.00 0.00 N ATOM 1009 CA ILE A 67 0.769 8.067 -1.147 1.00 0.00 C ATOM 1010 C ILE A 67 0.506 9.562 -0.999 1.00 0.00 C ATOM 1011 O ILE A 67 0.738 10.141 0.062 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.181 7.295 -0.212 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.281 5.844 -0.066 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.606 7.353 -0.741 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.038 5.005 -1.301 1.00 0.00 C ATOM 0 H ILE A 67 2.399 7.711 0.122 1.00 0.00 H new ATOM 0 HA ILE A 67 0.575 7.767 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.160 7.764 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.346 5.832 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.236 5.390 0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.266 6.803 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.931 8.392 -0.798 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.644 6.906 -1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.390 3.988 -1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.029 4.986 -1.524 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.577 5.435 -2.145 1.00 0.00 H new ATOM 1027 N ASP A 68 0.019 10.180 -2.069 1.00 0.00 N ATOM 1028 CA ASP A 68 -0.279 11.608 -2.058 1.00 0.00 C ATOM 1029 C ASP A 68 -1.774 11.852 -2.235 1.00 0.00 C ATOM 1030 O ASP A 68 -2.461 11.094 -2.918 1.00 0.00 O ATOM 1031 CB ASP A 68 0.502 12.322 -3.162 1.00 0.00 C ATOM 1032 CG ASP A 68 0.590 11.500 -4.433 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -0.465 11.038 -4.916 1.00 0.00 O ATOM 1034 OD2 ASP A 68 1.715 11.318 -4.944 1.00 0.00 O ATOM 0 H ASP A 68 -0.178 9.715 -2.955 1.00 0.00 H new ATOM 0 HA ASP A 68 0.024 12.010 -1.091 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.024 13.276 -3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.508 12.544 -2.806 1.00 0.00 H new ATOM 1039 N GLY A 69 -2.273 12.917 -1.613 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.684 13.241 -1.714 1.00 0.00 C ATOM 1041 C GLY A 69 -4.425 13.016 -0.411 1.00 0.00 C ATOM 1042 O GLY A 69 -5.578 12.584 -0.411 1.00 0.00 O ATOM 0 H GLY A 69 -1.725 13.560 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.794 14.283 -2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -4.138 12.633 -2.496 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.761 13.306 0.703 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.364 13.130 2.020 1.00 0.00 C ATOM 1048 C LEU A 70 -4.403 14.451 2.781 1.00 0.00 C ATOM 1049 O LEU A 70 -3.933 15.477 2.289 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.585 12.088 2.824 1.00 0.00 C ATOM 1051 CG LEU A 70 -3.041 10.898 2.032 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -1.977 10.165 2.834 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -4.169 9.952 1.649 1.00 0.00 C ATOM 0 H LEU A 70 -2.806 13.664 0.721 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.387 12.781 1.881 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.748 12.587 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.234 11.708 3.613 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.583 11.274 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.601 9.321 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.156 10.846 3.057 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.410 9.801 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.763 9.111 1.086 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.657 9.583 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.896 10.483 1.035 1.00 0.00 H new ATOM 1065 N ARG A 71 -4.964 14.418 3.986 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.063 15.612 4.816 1.00 0.00 C ATOM 1067 C ARG A 71 -4.166 15.496 6.045 1.00 0.00 C ATOM 1068 O ARG A 71 -3.935 14.409 6.575 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.512 15.840 5.248 1.00 0.00 C ATOM 1070 CG ARG A 71 -7.414 16.323 4.124 1.00 0.00 C ATOM 1071 CD ARG A 71 -7.377 17.837 3.990 1.00 0.00 C ATOM 1072 NE ARG A 71 -8.140 18.498 5.046 1.00 0.00 N ATOM 1073 CZ ARG A 71 -8.607 19.738 4.948 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -8.392 20.446 3.848 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -9.293 20.271 5.951 1.00 0.00 N ATOM 0 H ARG A 71 -5.357 13.577 4.409 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.730 16.464 4.224 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.913 14.910 5.650 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.530 16.571 6.057 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.103 15.866 3.185 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.437 15.998 4.313 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.342 18.179 4.022 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.778 18.125 3.018 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.324 17.980 5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.867 20.039 3.074 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -8.752 21.398 3.776 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.462 19.729 6.798 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.651 21.223 5.875 1.00 0.00 H new ATOM 1089 N PRO A 72 -3.648 16.642 6.511 1.00 0.00 N ATOM 1090 CA PRO A 72 -2.769 16.695 7.683 1.00 0.00 C ATOM 1091 C PRO A 72 -3.512 16.390 8.979 1.00 0.00 C ATOM 1092 O PRO A 72 -4.543 16.995 9.272 1.00 0.00 O ATOM 1093 CB PRO A 72 -2.265 18.141 7.683 1.00 0.00 C ATOM 1094 CG PRO A 72 -3.319 18.910 6.965 1.00 0.00 C ATOM 1095 CD PRO A 72 -3.881 17.975 5.929 1.00 0.00 C ATOM 0 HA PRO A 72 -1.974 15.952 7.630 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.127 18.512 8.699 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -1.302 18.224 7.179 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -4.096 19.243 7.653 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -2.902 19.803 6.499 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.941 18.158 5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.377 18.088 4.969 1.00 0.00 H new ATOM 1103 N GLY A 73 -2.982 15.448 9.753 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.608 15.080 11.009 1.00 0.00 C ATOM 1105 C GLY A 73 -4.695 14.038 10.831 1.00 0.00 C ATOM 1106 O GLY A 73 -5.711 14.067 11.526 1.00 0.00 O ATOM 0 H GLY A 73 -2.130 14.933 9.532 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.849 14.696 11.691 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -4.034 15.969 11.474 1.00 0.00 H new ATOM 1110 N MET A 74 -4.482 13.116 9.898 1.00 0.00 N ATOM 1111 CA MET A 74 -5.453 12.061 9.631 1.00 0.00 C ATOM 1112 C MET A 74 -4.761 10.708 9.494 1.00 0.00 C ATOM 1113 O MET A 74 -3.654 10.617 8.964 1.00 0.00 O ATOM 1114 CB MET A 74 -6.243 12.375 8.359 1.00 0.00 C ATOM 1115 CG MET A 74 -7.206 11.271 7.954 1.00 0.00 C ATOM 1116 SD MET A 74 -8.828 11.449 8.721 1.00 0.00 S ATOM 1117 CE MET A 74 -8.971 9.884 9.579 1.00 0.00 C ATOM 0 H MET A 74 -3.646 13.078 9.314 1.00 0.00 H new ATOM 0 HA MET A 74 -6.142 12.013 10.474 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.803 13.298 8.508 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.544 12.554 7.542 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.319 11.272 6.870 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.782 10.305 8.229 1.00 0.00 H new ATOM 0 HE1 MET A 74 -9.649 9.230 9.032 1.00 0.00 H new ATOM 0 HE2 MET A 74 -7.989 9.415 9.646 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.361 10.054 10.583 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.421 9.660 9.975 1.00 0.00 N ATOM 1128 CA VAL A 75 -4.870 8.312 9.905 1.00 0.00 C ATOM 1129 C VAL A 75 -5.444 7.544 8.719 1.00 0.00 C ATOM 1130 O VAL A 75 -6.661 7.440 8.564 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.151 7.523 11.197 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -4.268 6.286 11.270 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -4.944 8.408 12.417 1.00 0.00 C ATOM 0 H VAL A 75 -6.338 9.718 10.418 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.792 8.417 9.779 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.191 7.198 11.185 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.481 5.741 12.190 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.470 5.644 10.413 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.220 6.586 11.260 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.147 7.834 13.321 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.914 8.765 12.437 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.622 9.260 12.368 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.560 7.008 7.885 1.00 0.00 N ATOM 1144 CA TYR A 76 -4.978 6.251 6.711 1.00 0.00 C ATOM 1145 C TYR A 76 -4.456 4.819 6.771 1.00 0.00 C ATOM 1146 O TYR A 76 -3.327 4.575 7.198 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.483 6.933 5.435 1.00 0.00 C ATOM 1148 CG TYR A 76 -5.090 8.298 5.203 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.544 9.433 5.791 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -6.210 8.454 4.394 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -5.097 10.682 5.582 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.768 9.699 4.179 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.208 10.810 4.775 1.00 0.00 C ATOM 1154 OH TYR A 76 -6.760 12.052 4.563 1.00 0.00 O ATOM 0 H TYR A 76 -3.549 7.084 8.000 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.068 6.221 6.700 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.398 7.030 5.483 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.709 6.294 4.581 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.673 9.337 6.422 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.651 7.587 3.926 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.661 11.553 6.048 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.638 9.802 3.548 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.536 11.968 3.970 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.285 3.875 6.340 1.00 0.00 N ATOM 1165 CA VAL A 77 -4.908 2.466 6.342 1.00 0.00 C ATOM 1166 C VAL A 77 -4.428 2.023 4.965 1.00 0.00 C ATOM 1167 O VAL A 77 -5.233 1.743 4.076 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.084 1.571 6.776 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.677 0.106 6.753 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -6.578 1.974 8.158 1.00 0.00 C ATOM 0 H VAL A 77 -6.223 4.060 5.985 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.094 2.358 7.059 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.902 1.707 6.069 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.521 -0.511 7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.375 -0.172 5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.843 -0.051 7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.409 1.331 8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.768 1.868 8.879 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.912 3.011 8.137 1.00 0.00 H new ATOM 1180 N VAL A 78 -3.112 1.962 4.794 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.523 1.551 3.525 1.00 0.00 C ATOM 1182 C VAL A 78 -2.144 0.075 3.547 1.00 0.00 C ATOM 1183 O VAL A 78 -1.870 -0.489 4.606 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.273 2.386 3.189 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.734 2.013 1.817 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.591 3.872 3.260 1.00 0.00 C ATOM 0 H VAL A 78 -2.432 2.192 5.519 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.279 1.717 2.757 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.502 2.167 3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.149 2.613 1.597 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.466 0.956 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.498 2.201 1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.697 4.447 3.020 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.379 4.110 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.926 4.125 4.266 1.00 0.00 H new ATOM 1196 N GLN A 79 -2.130 -0.545 2.371 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.784 -1.957 2.256 1.00 0.00 C ATOM 1198 C GLN A 79 -1.005 -2.223 0.972 1.00 0.00 C ATOM 1199 O GLN A 79 -1.091 -1.458 0.012 1.00 0.00 O ATOM 1200 CB GLN A 79 -3.048 -2.817 2.289 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.776 -2.778 3.623 1.00 0.00 C ATOM 1202 CD GLN A 79 -4.513 -4.069 3.923 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -3.904 -5.074 4.291 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -5.832 -4.048 3.768 1.00 0.00 N ATOM 0 H GLN A 79 -2.354 -0.092 1.485 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.152 -2.222 3.104 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.726 -2.481 1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.781 -3.849 2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.058 -2.580 4.419 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.486 -1.951 3.621 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.296 -3.193 3.461 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.381 -4.887 3.956 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.246 -3.314 0.962 1.00 0.00 N ATOM 1214 CA VAL A 80 0.548 -3.683 -0.204 1.00 0.00 C ATOM 1215 C VAL A 80 0.428 -5.173 -0.502 1.00 0.00 C ATOM 1216 O VAL A 80 0.353 -5.995 0.412 1.00 0.00 O ATOM 1217 CB VAL A 80 2.033 -3.327 -0.008 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.618 -4.102 1.164 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.819 -3.599 -1.282 1.00 0.00 C ATOM 0 H VAL A 80 -0.164 -3.958 1.749 1.00 0.00 H new ATOM 0 HA VAL A 80 0.155 -3.115 -1.047 1.00 0.00 H new ATOM 0 HB VAL A 80 2.107 -2.263 0.217 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.668 -3.837 1.287 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.072 -3.853 2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.533 -5.172 0.971 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.867 -3.342 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.739 -4.655 -1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.415 -2.995 -2.095 1.00 0.00 H new ATOM 1229 N ARG A 81 0.412 -5.516 -1.786 1.00 0.00 N ATOM 1230 CA ARG A 81 0.301 -6.908 -2.204 1.00 0.00 C ATOM 1231 C ARG A 81 1.359 -7.247 -3.251 1.00 0.00 C ATOM 1232 O ARG A 81 1.990 -6.357 -3.820 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.095 -7.184 -2.765 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.446 -6.329 -3.972 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.348 -7.077 -4.941 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.239 -6.176 -5.666 1.00 0.00 N ATOM 1237 CZ ARG A 81 -4.428 -5.796 -5.212 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -4.866 -6.236 -4.041 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -5.182 -4.973 -5.930 1.00 0.00 N ATOM 0 H ARG A 81 0.475 -4.849 -2.555 1.00 0.00 H new ATOM 0 HA ARG A 81 0.465 -7.538 -1.330 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.164 -8.236 -3.043 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.833 -7.012 -1.981 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.943 -5.417 -3.641 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.532 -6.027 -4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.735 -7.631 -5.652 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.941 -7.809 -4.393 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.932 -5.819 -6.571 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.290 -6.868 -3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.780 -5.942 -3.695 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.849 -4.632 -6.832 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.095 -4.682 -5.580 1.00 0.00 H new ATOM 1253 N ALA A 82 1.546 -8.539 -3.498 1.00 0.00 N ATOM 1254 CA ALA A 82 2.525 -8.996 -4.476 1.00 0.00 C ATOM 1255 C ALA A 82 1.840 -9.575 -5.709 1.00 0.00 C ATOM 1256 O ALA A 82 1.122 -10.572 -5.621 1.00 0.00 O ATOM 1257 CB ALA A 82 3.453 -10.027 -3.853 1.00 0.00 C ATOM 0 H ALA A 82 1.032 -9.288 -3.034 1.00 0.00 H new ATOM 0 HA ALA A 82 3.116 -8.136 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.179 -10.359 -4.595 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.977 -9.581 -3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.869 -10.881 -3.509 1.00 0.00 H new ATOM 1263 N ARG A 83 2.065 -8.945 -6.857 1.00 0.00 N ATOM 1264 CA ARG A 83 1.467 -9.398 -8.108 1.00 0.00 C ATOM 1265 C ARG A 83 2.492 -10.137 -8.963 1.00 0.00 C ATOM 1266 O ARG A 83 3.616 -9.670 -9.149 1.00 0.00 O ATOM 1267 CB ARG A 83 0.899 -8.209 -8.886 1.00 0.00 C ATOM 1268 CG ARG A 83 0.144 -8.609 -10.143 1.00 0.00 C ATOM 1269 CD ARG A 83 0.238 -7.535 -11.215 1.00 0.00 C ATOM 1270 NE ARG A 83 -0.307 -6.258 -10.760 1.00 0.00 N ATOM 1271 CZ ARG A 83 -0.199 -5.126 -11.446 1.00 0.00 C ATOM 1272 NH1 ARG A 83 0.431 -5.112 -12.613 1.00 0.00 N ATOM 1273 NH2 ARG A 83 -0.722 -4.005 -10.966 1.00 0.00 N ATOM 0 H ARG A 83 2.657 -8.119 -6.947 1.00 0.00 H new ATOM 0 HA ARG A 83 0.657 -10.086 -7.867 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.231 -7.645 -8.235 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.716 -7.541 -9.160 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.547 -9.545 -10.528 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.903 -8.789 -9.898 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.280 -7.402 -11.504 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.300 -7.863 -12.104 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.798 -6.235 -9.866 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.834 -5.972 -12.985 1.00 0.00 H new ATOM 0 HH12 ARG A 83 0.513 -4.241 -13.138 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.208 -4.012 -10.069 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.638 -3.136 -11.494 1.00 0.00 H new ATOM 1287 N THR A 84 2.096 -11.295 -9.484 1.00 0.00 N ATOM 1288 CA THR A 84 2.979 -12.099 -10.318 1.00 0.00 C ATOM 1289 C THR A 84 2.276 -12.540 -11.597 1.00 0.00 C ATOM 1290 O THR A 84 1.095 -12.255 -11.798 1.00 0.00 O ATOM 1291 CB THR A 84 3.480 -13.346 -9.566 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.372 -14.061 -9.009 1.00 0.00 O ATOM 1293 CG2 THR A 84 4.448 -12.957 -8.458 1.00 0.00 C ATOM 0 H THR A 84 1.169 -11.696 -9.342 1.00 0.00 H new ATOM 0 HA THR A 84 3.832 -11.470 -10.573 1.00 0.00 H new ATOM 0 HB THR A 84 4.004 -13.985 -10.277 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.678 -14.930 -8.674 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.788 -13.854 -7.941 1.00 0.00 H new ATOM 0 HG22 THR A 84 5.305 -12.439 -8.889 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.945 -12.299 -7.750 1.00 0.00 H new ATOM 1301 N VAL A 85 3.009 -13.237 -12.459 1.00 0.00 N ATOM 1302 CA VAL A 85 2.455 -13.719 -13.719 1.00 0.00 C ATOM 1303 C VAL A 85 1.290 -14.672 -13.478 1.00 0.00 C ATOM 1304 O VAL A 85 0.539 -14.997 -14.398 1.00 0.00 O ATOM 1305 CB VAL A 85 3.524 -14.437 -14.565 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.913 -15.760 -13.923 1.00 0.00 C ATOM 1307 CG2 VAL A 85 3.024 -14.650 -15.985 1.00 0.00 C ATOM 0 H VAL A 85 3.988 -13.481 -12.308 1.00 0.00 H new ATOM 0 HA VAL A 85 2.099 -12.844 -14.263 1.00 0.00 H new ATOM 0 HB VAL A 85 4.412 -13.807 -14.608 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.669 -16.253 -14.534 1.00 0.00 H new ATOM 0 HG12 VAL A 85 4.315 -15.577 -12.927 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.034 -16.400 -13.847 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.792 -15.158 -16.569 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.120 -15.259 -15.965 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.801 -13.685 -16.441 1.00 0.00 H new ATOM 1317 N ALA A 86 1.144 -15.118 -12.234 1.00 0.00 N ATOM 1318 CA ALA A 86 0.069 -16.032 -11.871 1.00 0.00 C ATOM 1319 C ALA A 86 -1.206 -15.270 -11.524 1.00 0.00 C ATOM 1320 O ALA A 86 -2.303 -15.662 -11.920 1.00 0.00 O ATOM 1321 CB ALA A 86 0.495 -16.911 -10.704 1.00 0.00 C ATOM 0 H ALA A 86 1.757 -14.861 -11.461 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.141 -16.667 -12.732 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.318 -17.589 -10.443 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.374 -17.490 -10.987 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.734 -16.284 -9.845 1.00 0.00 H new ATOM 1327 N GLY A 87 -1.053 -14.178 -10.780 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.201 -13.379 -10.391 1.00 0.00 C ATOM 1329 C GLY A 87 -1.857 -12.345 -9.337 1.00 0.00 C ATOM 1330 O GLY A 87 -0.707 -11.920 -9.227 1.00 0.00 O ATOM 0 H GLY A 87 -0.155 -13.833 -10.440 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.605 -12.877 -11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.984 -14.035 -10.010 1.00 0.00 H new ATOM 1334 N TYR A 88 -2.856 -11.938 -8.562 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.655 -10.944 -7.515 1.00 0.00 C ATOM 1336 C TYR A 88 -2.571 -11.607 -6.144 1.00 0.00 C ATOM 1337 O TYR A 88 -3.367 -12.486 -5.816 1.00 0.00 O ATOM 1338 CB TYR A 88 -3.791 -9.920 -7.530 1.00 0.00 C ATOM 1339 CG TYR A 88 -3.719 -8.953 -8.690 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -4.247 -9.287 -9.932 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -3.123 -7.706 -8.546 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -4.183 -8.408 -10.995 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -3.057 -6.820 -9.604 1.00 0.00 C ATOM 1344 CZ TYR A 88 -3.588 -7.175 -10.826 1.00 0.00 C ATOM 1345 OH TYR A 88 -3.522 -6.296 -11.882 1.00 0.00 O ATOM 0 H TYR A 88 -3.813 -12.281 -8.639 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.712 -10.433 -7.710 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -4.744 -10.448 -7.566 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.774 -9.357 -6.597 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.715 -10.251 -10.068 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.704 -7.425 -7.591 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.597 -8.684 -11.954 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.592 -5.854 -9.475 1.00 0.00 H new ATOM 0 HH TYR A 88 -3.073 -5.473 -11.595 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.599 -11.177 -5.344 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.428 -11.738 -4.017 1.00 0.00 C ATOM 1357 C GLY A 89 -2.194 -10.969 -2.959 1.00 0.00 C ATOM 1358 O GLY A 89 -2.622 -9.838 -3.190 1.00 0.00 O ATOM 0 H GLY A 89 -0.927 -10.450 -5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.760 -12.776 -4.019 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.368 -11.743 -3.762 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.369 -11.584 -1.794 1.00 0.00 N ATOM 1363 CA LYS A 90 -3.089 -10.951 -0.695 1.00 0.00 C ATOM 1364 C LYS A 90 -2.320 -9.745 -0.164 1.00 0.00 C ATOM 1365 O LYS A 90 -1.111 -9.630 -0.363 1.00 0.00 O ATOM 1366 CB LYS A 90 -3.325 -11.956 0.434 1.00 0.00 C ATOM 1367 CG LYS A 90 -2.059 -12.341 1.180 1.00 0.00 C ATOM 1368 CD LYS A 90 -2.332 -13.403 2.232 1.00 0.00 C ATOM 1369 CE LYS A 90 -2.952 -12.800 3.484 1.00 0.00 C ATOM 1370 NZ LYS A 90 -1.922 -12.212 4.385 1.00 0.00 N ATOM 0 H LYS A 90 -2.022 -12.520 -1.587 1.00 0.00 H new ATOM 0 HA LYS A 90 -4.052 -10.608 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.039 -11.534 1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.780 -12.855 0.019 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.317 -12.711 0.472 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.633 -11.458 1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -3.001 -14.160 1.822 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.401 -13.907 2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.668 -12.029 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.508 -13.569 4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.384 -11.812 5.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.253 -12.953 4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.409 -11.461 3.882 1.00 0.00 H new ATOM 1384 N PHE A 91 -3.030 -8.849 0.514 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.414 -7.652 1.074 1.00 0.00 C ATOM 1386 C PHE A 91 -1.696 -7.971 2.382 1.00 0.00 C ATOM 1387 O PHE A 91 -2.052 -8.919 3.083 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.471 -6.571 1.310 1.00 0.00 C ATOM 1389 CG PHE A 91 -3.821 -5.795 0.072 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -2.885 -4.973 -0.534 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.086 -5.888 -0.485 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.205 -4.257 -1.672 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.412 -5.175 -1.624 1.00 0.00 C ATOM 1394 CZ PHE A 91 -4.469 -4.359 -2.218 1.00 0.00 C ATOM 0 H PHE A 91 -4.032 -8.929 0.689 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.680 -7.283 0.358 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.374 -7.037 1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.109 -5.881 2.072 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -1.894 -4.891 -0.112 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.826 -6.525 -0.024 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.467 -3.618 -2.134 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.402 -5.256 -2.048 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.720 -3.802 -3.108 1.00 0.00 H new ATOM 1404 N SER A 92 -0.684 -7.172 2.705 1.00 0.00 N ATOM 1405 CA SER A 92 0.088 -7.372 3.927 1.00 0.00 C ATOM 1406 C SER A 92 -0.641 -6.784 5.131 1.00 0.00 C ATOM 1407 O SER A 92 -1.477 -5.892 4.991 1.00 0.00 O ATOM 1408 CB SER A 92 1.471 -6.732 3.791 1.00 0.00 C ATOM 1409 OG SER A 92 1.375 -5.320 3.715 1.00 0.00 O ATOM 0 H SER A 92 -0.379 -6.381 2.138 1.00 0.00 H new ATOM 0 HA SER A 92 0.205 -8.444 4.083 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.090 -7.012 4.643 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.966 -7.114 2.898 1.00 0.00 H new ATOM 0 HG SER A 92 1.868 -4.918 4.461 1.00 0.00 H new ATOM 1415 N GLY A 93 -0.318 -7.292 6.317 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.950 -6.806 7.529 1.00 0.00 C ATOM 1417 C GLY A 93 -1.189 -5.310 7.499 1.00 0.00 C ATOM 1418 O GLY A 93 -0.286 -4.523 7.784 1.00 0.00 O ATOM 0 H GLY A 93 0.370 -8.031 6.459 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.901 -7.320 7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.324 -7.054 8.386 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.409 -4.914 7.152 1.00 0.00 N ATOM 1423 CA LYS A 94 -2.765 -3.502 7.085 1.00 0.00 C ATOM 1424 C LYS A 94 -2.240 -2.749 8.303 1.00 0.00 C ATOM 1425 O LYS A 94 -2.266 -3.263 9.421 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.285 -3.342 6.990 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.001 -3.544 8.314 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.413 -2.983 8.276 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.363 -3.915 7.539 1.00 0.00 C ATOM 1430 NZ LYS A 94 -7.188 -3.831 6.062 1.00 0.00 N ATOM 0 H LYS A 94 -3.168 -5.552 6.913 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.304 -3.079 6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.514 -2.346 6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.673 -4.057 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.037 -4.607 8.550 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.437 -3.059 9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.771 -2.827 9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.406 -2.009 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.193 -4.940 7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -8.392 -3.664 7.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.274 -4.781 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.920 -3.211 5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.248 -3.443 5.845 1.00 0.00 H new ATOM 1444 N MET A 95 -1.764 -1.528 8.079 1.00 0.00 N ATOM 1445 CA MET A 95 -1.235 -0.705 9.160 1.00 0.00 C ATOM 1446 C MET A 95 -1.819 0.703 9.106 1.00 0.00 C ATOM 1447 O MET A 95 -2.198 1.188 8.040 1.00 0.00 O ATOM 1448 CB MET A 95 0.292 -0.639 9.079 1.00 0.00 C ATOM 1449 CG MET A 95 0.956 -0.300 10.403 1.00 0.00 C ATOM 1450 SD MET A 95 2.740 -0.560 10.372 1.00 0.00 S ATOM 1451 CE MET A 95 2.821 -2.300 9.955 1.00 0.00 C ATOM 0 H MET A 95 -1.734 -1.087 7.160 1.00 0.00 H new ATOM 0 HA MET A 95 -1.522 -1.163 10.106 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.671 -1.598 8.727 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.576 0.108 8.337 1.00 0.00 H new ATOM 0 HG2 MET A 95 0.749 0.740 10.653 1.00 0.00 H new ATOM 0 HG3 MET A 95 0.517 -0.911 11.192 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.808 -2.689 10.206 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.063 -2.845 10.518 1.00 0.00 H new ATOM 0 HE3 MET A 95 2.641 -2.427 8.887 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.890 1.354 10.262 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.430 2.706 10.347 1.00 0.00 C ATOM 1463 C CYS A 96 -1.308 3.739 10.378 1.00 0.00 C ATOM 1464 O CYS A 96 -0.545 3.813 11.342 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.307 2.851 11.592 1.00 0.00 C ATOM 1466 SG CYS A 96 -2.407 2.685 13.152 1.00 0.00 S ATOM 0 H CYS A 96 -1.580 0.967 11.153 1.00 0.00 H new ATOM 0 HA CYS A 96 -3.039 2.883 9.460 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.795 3.825 11.568 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.095 2.099 11.558 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.168 3.039 12.978 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.212 4.533 9.317 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.181 5.560 9.221 1.00 0.00 C ATOM 1474 C PHE A 97 -0.795 6.955 9.287 1.00 0.00 C ATOM 1475 O PHE A 97 -1.652 7.305 8.476 1.00 0.00 O ATOM 1476 CB PHE A 97 0.610 5.399 7.921 1.00 0.00 C ATOM 1477 CG PHE A 97 1.188 4.025 7.737 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.199 3.568 8.567 1.00 0.00 C ATOM 1479 CD2 PHE A 97 0.722 3.191 6.734 1.00 0.00 C ATOM 1480 CE1 PHE A 97 2.734 2.304 8.401 1.00 0.00 C ATOM 1481 CE2 PHE A 97 1.252 1.926 6.563 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.260 1.483 7.397 1.00 0.00 C ATOM 0 H PHE A 97 -1.836 4.485 8.511 1.00 0.00 H new ATOM 0 HA PHE A 97 0.496 5.440 10.067 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -0.042 5.626 7.078 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.419 6.130 7.904 1.00 0.00 H new ATOM 0 HD1 PHE A 97 2.574 4.207 9.353 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.065 3.533 6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 97 3.521 1.959 9.055 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.878 1.285 5.778 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.677 0.496 7.264 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.350 7.745 10.259 1.00 0.00 N ATOM 1493 CA GLN A 98 -0.857 9.102 10.431 1.00 0.00 C ATOM 1494 C GLN A 98 0.040 10.112 9.724 1.00 0.00 C ATOM 1495 O GLN A 98 1.254 9.926 9.634 1.00 0.00 O ATOM 1496 CB GLN A 98 -0.958 9.446 11.918 1.00 0.00 C ATOM 1497 CG GLN A 98 -1.002 10.939 12.196 1.00 0.00 C ATOM 1498 CD GLN A 98 -2.185 11.621 11.537 1.00 0.00 C ATOM 1499 OE1 GLN A 98 -2.018 12.499 10.690 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -3.390 11.220 11.924 1.00 0.00 N ATOM 0 H GLN A 98 0.359 7.470 10.938 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.850 9.151 9.985 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.854 8.982 12.330 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.106 9.013 12.441 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.046 11.103 13.273 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.079 11.398 11.841 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -3.482 10.489 12.629 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -4.224 11.643 11.516 1.00 0.00 H new ATOM 1509 N THR A 99 -0.566 11.184 9.221 1.00 0.00 N ATOM 1510 CA THR A 99 0.177 12.223 8.519 1.00 0.00 C ATOM 1511 C THR A 99 0.744 13.247 9.496 1.00 0.00 C ATOM 1512 O THR A 99 0.484 13.184 10.698 1.00 0.00 O ATOM 1513 CB THR A 99 -0.709 12.949 7.489 1.00 0.00 C ATOM 1514 OG1 THR A 99 -2.040 13.089 8.000 1.00 0.00 O ATOM 1515 CG2 THR A 99 -0.743 12.187 6.173 1.00 0.00 C ATOM 0 H THR A 99 -1.569 11.355 9.287 1.00 0.00 H new ATOM 0 HA THR A 99 0.997 11.729 7.997 1.00 0.00 H new ATOM 0 HB THR A 99 -0.284 13.936 7.308 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.624 13.447 7.299 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.375 12.718 5.461 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.268 12.107 5.772 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.146 11.188 6.341 1.00 0.00 H new ATOM 1523 N LEU A 100 1.520 14.190 8.972 1.00 0.00 N ATOM 1524 CA LEU A 100 2.125 15.229 9.798 1.00 0.00 C ATOM 1525 C LEU A 100 1.055 16.121 10.420 1.00 0.00 C ATOM 1526 O LEU A 100 0.125 16.559 9.743 1.00 0.00 O ATOM 1527 CB LEU A 100 3.089 16.075 8.964 1.00 0.00 C ATOM 1528 CG LEU A 100 4.438 15.432 8.641 1.00 0.00 C ATOM 1529 CD1 LEU A 100 5.438 15.701 9.756 1.00 0.00 C ATOM 1530 CD2 LEU A 100 4.276 13.936 8.416 1.00 0.00 C ATOM 0 H LEU A 100 1.745 14.256 7.979 1.00 0.00 H new ATOM 0 HA LEU A 100 2.680 14.744 10.601 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.597 16.331 8.026 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.272 17.010 9.494 1.00 0.00 H new ATOM 0 HG LEU A 100 4.821 15.877 7.723 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.392 15.236 9.509 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.577 16.776 9.869 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.062 15.284 10.690 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.246 13.495 8.187 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.871 13.474 9.317 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.594 13.765 7.583 1.00 0.00 H new ATOM 1542 N THR A 101 1.195 16.389 11.715 1.00 0.00 N ATOM 1543 CA THR A 101 0.242 17.230 12.428 1.00 0.00 C ATOM 1544 C THR A 101 0.811 18.623 12.669 1.00 0.00 C ATOM 1545 O THR A 101 1.679 18.812 13.521 1.00 0.00 O ATOM 1546 CB THR A 101 -0.152 16.608 13.782 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.905 16.789 14.730 1.00 0.00 O ATOM 1548 CG2 THR A 101 -0.454 15.125 13.628 1.00 0.00 C ATOM 0 H THR A 101 1.959 16.036 12.291 1.00 0.00 H new ATOM 0 HA THR A 101 -0.645 17.306 11.799 1.00 0.00 H new ATOM 0 HB THR A 101 -1.050 17.110 14.140 1.00 0.00 H new ATOM 0 HG1 THR A 101 1.662 17.233 14.295 1.00 0.00 H new ATOM 0 HG21 THR A 101 -0.730 14.707 14.596 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.279 14.992 12.928 1.00 0.00 H new ATOM 0 HG23 THR A 101 0.430 14.611 13.250 1.00 0.00 H new ATOM 1556 N ASP A 102 0.315 19.598 11.913 1.00 0.00 N ATOM 1557 CA ASP A 102 0.773 20.976 12.046 1.00 0.00 C ATOM 1558 C ASP A 102 0.395 21.546 13.409 1.00 0.00 C ATOM 1559 O ASP A 102 -0.614 21.156 13.998 1.00 0.00 O ATOM 1560 CB ASP A 102 0.179 21.842 10.935 1.00 0.00 C ATOM 1561 CG ASP A 102 0.130 23.311 11.309 1.00 0.00 C ATOM 1562 OD1 ASP A 102 1.204 23.893 11.565 1.00 0.00 O ATOM 1563 OD2 ASP A 102 -0.983 23.877 11.346 1.00 0.00 O ATOM 0 H ASP A 102 -0.404 19.459 11.203 1.00 0.00 H new ATOM 0 HA ASP A 102 1.860 20.981 11.959 1.00 0.00 H new ATOM 0 HB2 ASP A 102 0.771 21.721 10.028 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -0.829 21.494 10.707 1.00 0.00 H new ATOM 1568 N SER A 103 1.212 22.469 13.907 1.00 0.00 N ATOM 1569 CA SER A 103 0.966 23.089 15.203 1.00 0.00 C ATOM 1570 C SER A 103 0.392 22.076 16.190 1.00 0.00 C ATOM 1571 O SER A 103 -0.476 22.402 16.998 1.00 0.00 O ATOM 1572 CB SER A 103 0.006 24.271 15.053 1.00 0.00 C ATOM 1573 OG SER A 103 -1.336 23.828 14.949 1.00 0.00 O ATOM 0 H SER A 103 2.050 22.804 13.432 1.00 0.00 H new ATOM 0 HA SER A 103 1.918 23.450 15.592 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.107 24.937 15.910 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.271 24.849 14.168 1.00 0.00 H new ATOM 0 HG SER A 103 -1.608 23.407 15.791 1.00 0.00 H new ATOM 1579 N GLY A 104 0.886 20.843 16.116 1.00 0.00 N ATOM 1580 CA GLY A 104 0.412 19.800 17.007 1.00 0.00 C ATOM 1581 C GLY A 104 1.225 19.714 18.283 1.00 0.00 C ATOM 1582 O GLY A 104 2.304 20.296 18.397 1.00 0.00 O ATOM 0 H GLY A 104 1.605 20.549 15.455 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.632 19.987 17.257 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.449 18.841 16.491 1.00 0.00 H new ATOM 1586 N PRO A 105 0.704 18.973 19.273 1.00 0.00 N ATOM 1587 CA PRO A 105 1.373 18.796 20.565 1.00 0.00 C ATOM 1588 C PRO A 105 2.630 17.941 20.455 1.00 0.00 C ATOM 1589 O PRO A 105 2.755 17.117 19.549 1.00 0.00 O ATOM 1590 CB PRO A 105 0.317 18.088 21.417 1.00 0.00 C ATOM 1591 CG PRO A 105 -0.553 17.383 20.433 1.00 0.00 C ATOM 1592 CD PRO A 105 -0.578 18.252 19.206 1.00 0.00 C ATOM 0 HA PRO A 105 1.711 19.745 20.982 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.776 17.387 22.114 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.255 18.800 22.012 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.159 16.393 20.202 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.558 17.241 20.831 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -0.658 17.659 18.295 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.426 18.937 19.216 1.00 0.00 H new ATOM 1600 N SER A 106 3.560 18.140 21.384 1.00 0.00 N ATOM 1601 CA SER A 106 4.810 17.389 21.389 1.00 0.00 C ATOM 1602 C SER A 106 5.097 16.821 22.775 1.00 0.00 C ATOM 1603 O SER A 106 5.659 17.501 23.633 1.00 0.00 O ATOM 1604 CB SER A 106 5.968 18.282 20.942 1.00 0.00 C ATOM 1605 OG SER A 106 6.003 19.485 21.690 1.00 0.00 O ATOM 0 H SER A 106 3.471 18.815 22.143 1.00 0.00 H new ATOM 0 HA SER A 106 4.709 16.559 20.689 1.00 0.00 H new ATOM 0 HB2 SER A 106 6.911 17.748 21.062 1.00 0.00 H new ATOM 0 HB3 SER A 106 5.865 18.512 19.882 1.00 0.00 H new ATOM 0 HG SER A 106 5.882 19.282 22.641 1.00 0.00 H new ATOM 1611 N SER A 107 4.705 15.569 22.987 1.00 0.00 N ATOM 1612 CA SER A 107 4.916 14.909 24.271 1.00 0.00 C ATOM 1613 C SER A 107 6.343 15.124 24.764 1.00 0.00 C ATOM 1614 O SER A 107 6.562 15.618 25.869 1.00 0.00 O ATOM 1615 CB SER A 107 4.626 13.411 24.152 1.00 0.00 C ATOM 1616 OG SER A 107 3.326 13.183 23.634 1.00 0.00 O ATOM 0 H SER A 107 4.240 14.991 22.287 1.00 0.00 H new ATOM 0 HA SER A 107 4.230 15.349 24.995 1.00 0.00 H new ATOM 0 HB2 SER A 107 5.367 12.944 23.503 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.719 12.940 25.131 1.00 0.00 H new ATOM 0 HG SER A 107 3.165 12.219 23.566 1.00 0.00 H new ATOM 1622 N GLY A 108 7.313 14.749 23.934 1.00 0.00 N ATOM 1623 CA GLY A 108 8.707 14.908 24.303 1.00 0.00 C ATOM 1624 C GLY A 108 9.016 16.301 24.816 1.00 0.00 C ATOM 1625 O GLY A 108 9.815 16.466 25.738 1.00 0.00 O ATOM 0 H GLY A 108 7.157 14.338 23.013 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.962 14.177 25.070 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.335 14.695 23.438 1.00 0.00 H new TER 1629 GLY A 108