USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 723 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 37 CYS SG : rot -177:sc= 0.114 USER MOD Set 1.2: A 40 CYS SG : rot -75:sc= -1.11 USER MOD Set 1.3: A 57 HIS : no HD1:sc= -0.0679 X(o=-0.64,f=-0.67) USER MOD Set 1.4: A 61 THR OG1 : rot -81:sc= 1.21 USER MOD Set 1.5: A 63 HIS : no HD1:sc= -0.785 X(o=-0.64,f=-0.32) USER MOD Set 2.1: A 21 CYS SG : rot 119:sc= -5.11! USER MOD Set 2.2: A 24 CYS SG : rot 144:sc= -1.42 USER MOD Set 2.3: A 29 SER OG : rot 170:sc= 1.37 USER MOD Set 2.4: A 45 CYS SG : rot -85:sc= -1.51! USER MOD Set 2.5: A 51 HIS : no HD1:sc= 0.906 K(o=-7.1,f=-18!) USER MOD Set 2.6: A 53 HIS : no HD1:sc= -1.33! C(o=-7.1!,f=-15!) USER MOD Set 3.1: A 5 CYS SG : rot 132:sc= -1.31 USER MOD Set 3.2: A 7 HIS : no HD1:sc= 0.226 K(o=0.029,f=-0.55) USER MOD Set 3.3: A 78 CYS SG : rot -128:sc= 1.11 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 109:sc= 1.05 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -0.776! C(o=-0.78!,f=-7.4!) USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00468 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 CYS SG : rot -150:sc= -3.23! USER MOD Single : A 49 SER OG : rot 80:sc= -1.12! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -74:sc= 1.15 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 TYR OH : rot -172:sc= 2.08 USER MOD Single : A 79 TYR OH : rot -64:sc= 0.591 USER MOD Single : A 84 MET CE :methyl -165:sc= -0.0861 (180deg=-0.46) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -147:sc= -0.346 (180deg=-1.38!) USER MOD Single : A 92 THR OG1 : rot 90:sc= 1.19 USER MOD Single : A 94 HIS : no HE2:sc= 1.01 K(o=1,f=-3.7!) USER MOD Single : A 95 ASN : amide:sc= 0.226 K(o=0.23,f=-0.41) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N CYS A 5 -0.077 -9.063 3.483 1.00 0.00 N ATOM 59 CA CYS A 5 -0.095 -10.501 3.718 1.00 0.00 C ATOM 60 C CYS A 5 -1.220 -10.844 4.690 1.00 0.00 C ATOM 61 O CYS A 5 -1.907 -9.946 5.176 1.00 0.00 O ATOM 62 CB CYS A 5 1.257 -10.967 4.267 1.00 0.00 C ATOM 63 SG CYS A 5 1.746 -10.165 5.827 1.00 0.00 S ATOM 0 HA CYS A 5 -0.273 -11.018 2.775 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.221 -12.045 4.422 1.00 0.00 H new ATOM 0 HB3 CYS A 5 2.026 -10.778 3.518 1.00 0.00 H new ATOM 0 HG CYS A 5 2.140 -11.069 6.674 1.00 0.00 H new ATOM 68 N ARG A 6 -1.406 -12.129 4.986 1.00 0.00 N ATOM 69 CA ARG A 6 -2.504 -12.557 5.855 1.00 0.00 C ATOM 70 C ARG A 6 -2.325 -12.030 7.278 1.00 0.00 C ATOM 71 O ARG A 6 -3.292 -11.907 8.024 1.00 0.00 O ATOM 72 CB ARG A 6 -2.625 -14.085 5.873 1.00 0.00 C ATOM 73 CG ARG A 6 -1.493 -14.792 6.601 1.00 0.00 C ATOM 74 CD ARG A 6 -1.701 -16.295 6.614 1.00 0.00 C ATOM 75 NE ARG A 6 -0.685 -16.994 7.398 1.00 0.00 N ATOM 76 CZ ARG A 6 -0.829 -18.240 7.850 1.00 0.00 C ATOM 77 NH1 ARG A 6 -1.946 -18.916 7.603 1.00 0.00 N ATOM 78 NH2 ARG A 6 0.140 -18.807 8.557 1.00 0.00 N ATOM 0 H ARG A 6 -0.817 -12.887 4.641 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.424 -12.137 5.447 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.570 -14.358 6.343 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.663 -14.447 4.846 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.544 -14.558 6.118 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.429 -14.423 7.624 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.687 -16.519 7.021 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.687 -16.669 5.590 1.00 0.00 H new ATOM 0 HE ARG A 6 0.182 -16.501 7.611 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.697 -18.482 7.066 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.053 -19.869 7.950 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.996 -18.290 8.755 1.00 0.00 H new ATOM 0 HH22 ARG A 6 0.029 -19.760 8.902 1.00 0.00 H new ATOM 92 N HIS A 7 -1.087 -11.704 7.639 1.00 0.00 N ATOM 93 CA HIS A 7 -0.784 -11.173 8.969 1.00 0.00 C ATOM 94 C HIS A 7 -1.521 -9.857 9.232 1.00 0.00 C ATOM 95 O HIS A 7 -1.788 -9.509 10.380 1.00 0.00 O ATOM 96 CB HIS A 7 0.726 -10.974 9.141 1.00 0.00 C ATOM 97 CG HIS A 7 1.498 -12.255 9.235 1.00 0.00 C ATOM 98 ND1 HIS A 7 2.536 -12.539 8.379 1.00 0.00 N ATOM 99 CD2 HIS A 7 1.350 -13.282 10.104 1.00 0.00 C ATOM 100 CE1 HIS A 7 2.991 -13.725 8.746 1.00 0.00 C ATOM 101 NE2 HIS A 7 2.303 -14.212 9.787 1.00 0.00 N ATOM 0 H HIS A 7 -0.275 -11.798 7.029 1.00 0.00 H new ATOM 0 HA HIS A 7 -1.131 -11.905 9.699 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.105 -10.393 8.300 1.00 0.00 H new ATOM 0 HB3 HIS A 7 0.905 -10.386 10.041 1.00 0.00 H new ATOM 0 HD2 HIS A 7 0.620 -13.354 10.896 1.00 0.00 H new ATOM 0 HE1 HIS A 7 3.813 -14.236 8.267 1.00 0.00 H new ATOM 0 HE2 HIS A 7 2.459 -15.105 10.254 1.00 0.00 H new ATOM 109 N VAL A 8 -1.850 -9.131 8.165 1.00 0.00 N ATOM 110 CA VAL A 8 -2.583 -7.870 8.290 1.00 0.00 C ATOM 111 C VAL A 8 -3.973 -8.122 8.852 1.00 0.00 C ATOM 112 O VAL A 8 -4.550 -7.277 9.533 1.00 0.00 O ATOM 113 CB VAL A 8 -2.727 -7.147 6.935 1.00 0.00 C ATOM 114 CG1 VAL A 8 -3.268 -5.738 7.119 1.00 0.00 C ATOM 115 CG2 VAL A 8 -1.408 -7.122 6.201 1.00 0.00 C ATOM 0 H VAL A 8 -1.622 -9.392 7.206 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.008 -7.236 8.965 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.445 -7.704 6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.359 -5.253 6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.248 -5.784 7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.586 -5.166 7.748 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.532 -6.608 5.248 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.666 -6.597 6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.072 -8.143 6.021 1.00 0.00 H new ATOM 125 N ALA A 9 -4.503 -9.300 8.575 1.00 0.00 N ATOM 126 CA ALA A 9 -5.850 -9.630 8.987 1.00 0.00 C ATOM 127 C ALA A 9 -5.910 -9.948 10.481 1.00 0.00 C ATOM 128 O ALA A 9 -6.983 -10.211 11.027 1.00 0.00 O ATOM 129 CB ALA A 9 -6.385 -10.792 8.167 1.00 0.00 C ATOM 0 H ALA A 9 -4.020 -10.041 8.067 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.481 -8.759 8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -7.399 -11.028 8.489 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.394 -10.519 7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.746 -11.664 8.311 1.00 0.00 H new ATOM 135 N GLY A 10 -4.757 -9.921 11.140 1.00 0.00 N ATOM 136 CA GLY A 10 -4.709 -10.206 12.559 1.00 0.00 C ATOM 137 C GLY A 10 -4.209 -9.031 13.378 1.00 0.00 C ATOM 138 O GLY A 10 -4.071 -9.132 14.597 1.00 0.00 O ATOM 0 H GLY A 10 -3.855 -9.706 10.715 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -5.705 -10.485 12.903 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.060 -11.065 12.731 1.00 0.00 H new ATOM 142 N ILE A 11 -3.930 -7.916 12.713 1.00 0.00 N ATOM 143 CA ILE A 11 -3.441 -6.725 13.397 1.00 0.00 C ATOM 144 C ILE A 11 -4.561 -5.709 13.595 1.00 0.00 C ATOM 145 O ILE A 11 -5.526 -5.680 12.832 1.00 0.00 O ATOM 146 CB ILE A 11 -2.272 -6.055 12.644 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.712 -5.583 11.254 1.00 0.00 C ATOM 148 CG2 ILE A 11 -1.096 -7.015 12.544 1.00 0.00 C ATOM 149 CD1 ILE A 11 -1.643 -4.822 10.499 1.00 0.00 C ATOM 0 H ILE A 11 -4.034 -7.812 11.704 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.074 -7.058 14.368 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.957 -5.176 13.207 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.012 -6.449 10.665 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.592 -4.948 11.358 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.277 -6.532 12.011 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.765 -7.291 13.545 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.402 -7.911 12.004 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.029 -4.521 9.525 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.359 -3.935 11.066 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.770 -5.460 10.362 1.00 0.00 H new ATOM 161 N ARG A 12 -4.432 -4.885 14.624 1.00 0.00 N ATOM 162 CA ARG A 12 -5.440 -3.875 14.924 1.00 0.00 C ATOM 163 C ARG A 12 -4.776 -2.528 15.177 1.00 0.00 C ATOM 164 O ARG A 12 -3.554 -2.453 15.320 1.00 0.00 O ATOM 165 CB ARG A 12 -6.271 -4.268 16.155 1.00 0.00 C ATOM 166 CG ARG A 12 -5.522 -4.134 17.477 1.00 0.00 C ATOM 167 CD ARG A 12 -4.598 -5.313 17.739 1.00 0.00 C ATOM 168 NE ARG A 12 -5.342 -6.509 18.132 1.00 0.00 N ATOM 169 CZ ARG A 12 -4.909 -7.755 17.950 1.00 0.00 C ATOM 170 NH1 ARG A 12 -3.751 -7.976 17.341 1.00 0.00 N ATOM 171 NH2 ARG A 12 -5.638 -8.780 18.375 1.00 0.00 N ATOM 0 H ARG A 12 -3.640 -4.895 15.266 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.103 -3.803 14.062 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.165 -3.646 16.191 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.605 -5.299 16.041 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.939 -3.213 17.470 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.241 -4.050 18.292 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.016 -5.525 16.842 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.889 -5.052 18.524 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.252 -6.380 18.574 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.190 -7.190 17.011 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.422 -8.931 17.203 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.530 -8.613 18.841 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.306 -9.734 18.236 1.00 0.00 H new ATOM 185 N THR A 13 -5.577 -1.470 15.219 1.00 0.00 N ATOM 186 CA THR A 13 -5.086 -0.159 15.612 1.00 0.00 C ATOM 187 C THR A 13 -4.726 -0.170 17.094 1.00 0.00 C ATOM 188 O THR A 13 -5.568 -0.461 17.947 1.00 0.00 O ATOM 189 CB THR A 13 -6.135 0.938 15.344 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.610 0.840 13.996 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.548 2.323 15.574 1.00 0.00 C ATOM 0 H THR A 13 -6.569 -1.496 14.985 1.00 0.00 H new ATOM 0 HA THR A 13 -4.201 0.064 15.015 1.00 0.00 H new ATOM 0 HB THR A 13 -6.963 0.792 16.038 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.277 1.539 13.833 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.309 3.078 15.378 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.210 2.408 16.607 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.703 2.476 14.902 1.00 0.00 H new ATOM 199 N VAL A 14 -3.476 0.130 17.398 1.00 0.00 N ATOM 200 CA VAL A 14 -2.986 0.030 18.763 1.00 0.00 C ATOM 201 C VAL A 14 -2.779 1.397 19.392 1.00 0.00 C ATOM 202 O VAL A 14 -3.034 2.431 18.772 1.00 0.00 O ATOM 203 CB VAL A 14 -1.665 -0.760 18.829 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.907 -2.225 18.512 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.638 -0.167 17.874 1.00 0.00 C ATOM 0 H VAL A 14 -2.782 0.444 16.720 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.753 -0.502 19.326 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.270 -0.688 19.842 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.964 -2.769 18.563 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.607 -2.643 19.236 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.325 -2.316 17.509 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.288 -0.739 17.935 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.023 -0.207 16.855 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.443 0.870 18.147 1.00 0.00 H new ATOM 215 N THR A 15 -2.335 1.386 20.638 1.00 0.00 N ATOM 216 CA THR A 15 -2.019 2.601 21.360 1.00 0.00 C ATOM 217 C THR A 15 -0.599 2.505 21.914 1.00 0.00 C ATOM 218 O THR A 15 -0.260 1.530 22.584 1.00 0.00 O ATOM 219 CB THR A 15 -3.014 2.825 22.516 1.00 0.00 C ATOM 220 OG1 THR A 15 -4.359 2.736 22.023 1.00 0.00 O ATOM 221 CG2 THR A 15 -2.800 4.183 23.169 1.00 0.00 C ATOM 0 H THR A 15 -2.184 0.532 21.175 1.00 0.00 H new ATOM 0 HA THR A 15 -2.093 3.445 20.675 1.00 0.00 H new ATOM 0 HB THR A 15 -2.844 2.052 23.266 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.988 2.877 22.761 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.516 4.313 23.981 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.787 4.240 23.566 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.944 4.970 22.428 1.00 0.00 H new ATOM 229 N PRO A 16 0.255 3.494 21.612 1.00 0.00 N ATOM 230 CA PRO A 16 1.649 3.505 22.073 1.00 0.00 C ATOM 231 C PRO A 16 1.758 3.570 23.594 1.00 0.00 C ATOM 232 O PRO A 16 1.129 4.412 24.235 1.00 0.00 O ATOM 233 CB PRO A 16 2.233 4.775 21.442 1.00 0.00 C ATOM 234 CG PRO A 16 1.291 5.136 20.344 1.00 0.00 C ATOM 235 CD PRO A 16 -0.061 4.674 20.797 1.00 0.00 C ATOM 0 HA PRO A 16 2.174 2.594 21.787 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.310 5.579 22.174 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.237 4.597 21.057 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.296 6.211 20.162 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.576 4.653 19.409 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.577 5.440 21.377 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -0.706 4.423 19.955 1.00 0.00 H new ATOM 243 N SER A 17 2.560 2.677 24.163 1.00 0.00 N ATOM 244 CA SER A 17 2.762 2.632 25.606 1.00 0.00 C ATOM 245 C SER A 17 3.687 3.757 26.069 1.00 0.00 C ATOM 246 O SER A 17 3.804 4.029 27.266 1.00 0.00 O ATOM 247 CB SER A 17 3.347 1.273 26.008 1.00 0.00 C ATOM 248 OG SER A 17 4.592 1.037 25.362 1.00 0.00 O ATOM 0 H SER A 17 3.083 1.972 23.644 1.00 0.00 H new ATOM 0 HA SER A 17 1.795 2.768 26.090 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.483 1.238 27.089 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.644 0.481 25.749 1.00 0.00 H new ATOM 0 HG SER A 17 5.318 1.098 26.018 1.00 0.00 H new ATOM 254 N ALA A 18 4.342 4.406 25.115 1.00 0.00 N ATOM 255 CA ALA A 18 5.297 5.458 25.419 1.00 0.00 C ATOM 256 C ALA A 18 5.190 6.588 24.405 1.00 0.00 C ATOM 257 O ALA A 18 4.289 6.596 23.566 1.00 0.00 O ATOM 258 CB ALA A 18 6.706 4.885 25.427 1.00 0.00 C ATOM 0 H ALA A 18 4.227 4.219 24.119 1.00 0.00 H new ATOM 0 HA ALA A 18 5.072 5.864 26.405 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.419 5.677 25.655 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.777 4.104 26.184 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.933 4.463 24.448 1.00 0.00 H new ATOM 264 N LEU A 19 6.103 7.543 24.494 1.00 0.00 N ATOM 265 CA LEU A 19 6.179 8.619 23.520 1.00 0.00 C ATOM 266 C LEU A 19 7.214 8.261 22.468 1.00 0.00 C ATOM 267 O LEU A 19 6.990 8.431 21.271 1.00 0.00 O ATOM 268 CB LEU A 19 6.555 9.944 24.192 1.00 0.00 C ATOM 269 CG LEU A 19 5.615 10.410 25.305 1.00 0.00 C ATOM 270 CD1 LEU A 19 6.092 11.734 25.881 1.00 0.00 C ATOM 271 CD2 LEU A 19 4.189 10.533 24.789 1.00 0.00 C ATOM 0 H LEU A 19 6.803 7.594 25.234 1.00 0.00 H new ATOM 0 HA LEU A 19 5.201 8.744 23.055 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.559 9.849 24.605 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.597 10.720 23.427 1.00 0.00 H new ATOM 0 HG LEU A 19 5.625 9.663 26.099 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.413 12.053 26.672 1.00 0.00 H new ATOM 0 HD12 LEU A 19 7.095 11.612 26.291 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.111 12.488 25.094 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.537 10.866 25.597 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.158 11.258 23.976 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.849 9.564 24.424 1.00 0.00 H new ATOM 283 N GLY A 20 8.344 7.750 22.938 1.00 0.00 N ATOM 284 CA GLY A 20 9.398 7.308 22.054 1.00 0.00 C ATOM 285 C GLY A 20 9.948 5.959 22.471 1.00 0.00 C ATOM 286 O GLY A 20 9.197 4.994 22.619 1.00 0.00 O ATOM 0 H GLY A 20 8.548 7.634 23.931 1.00 0.00 H new ATOM 0 HA2 GLY A 20 9.017 7.247 21.035 1.00 0.00 H new ATOM 0 HA3 GLY A 20 10.202 8.044 22.050 1.00 0.00 H new ATOM 290 N CYS A 21 11.255 5.887 22.678 1.00 0.00 N ATOM 291 CA CYS A 21 11.887 4.647 23.105 1.00 0.00 C ATOM 292 C CYS A 21 11.733 4.436 24.603 1.00 0.00 C ATOM 293 O CYS A 21 12.493 4.989 25.399 1.00 0.00 O ATOM 294 CB CYS A 21 13.363 4.634 22.730 1.00 0.00 C ATOM 295 SG CYS A 21 13.676 4.396 20.972 1.00 0.00 S ATOM 0 H CYS A 21 11.897 6.670 22.558 1.00 0.00 H new ATOM 0 HA CYS A 21 11.384 3.830 22.588 1.00 0.00 H new ATOM 0 HB2 CYS A 21 13.814 5.575 23.044 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.861 3.840 23.287 1.00 0.00 H new ATOM 0 HG CYS A 21 14.302 5.432 20.498 1.00 0.00 H new ATOM 301 N GLU A 22 10.748 3.623 24.961 1.00 0.00 N ATOM 302 CA GLU A 22 10.423 3.322 26.353 1.00 0.00 C ATOM 303 C GLU A 22 11.663 2.930 27.162 1.00 0.00 C ATOM 304 O GLU A 22 12.009 3.596 28.137 1.00 0.00 O ATOM 305 CB GLU A 22 9.385 2.198 26.382 1.00 0.00 C ATOM 306 CG GLU A 22 8.821 1.893 27.758 1.00 0.00 C ATOM 307 CD GLU A 22 7.711 0.865 27.697 1.00 0.00 C ATOM 308 OE1 GLU A 22 6.573 1.234 27.338 1.00 0.00 O ATOM 309 OE2 GLU A 22 7.975 -0.321 27.987 1.00 0.00 O ATOM 0 H GLU A 22 10.145 3.148 24.289 1.00 0.00 H new ATOM 0 HA GLU A 22 10.018 4.221 26.818 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.563 2.464 25.718 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.839 1.292 25.981 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.619 1.528 28.405 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.442 2.811 28.207 1.00 0.00 H new ATOM 316 N GLU A 23 12.337 1.862 26.745 1.00 0.00 N ATOM 317 CA GLU A 23 13.515 1.378 27.459 1.00 0.00 C ATOM 318 C GLU A 23 14.653 2.393 27.399 1.00 0.00 C ATOM 319 O GLU A 23 15.216 2.758 28.423 1.00 0.00 O ATOM 320 CB GLU A 23 13.999 0.055 26.872 1.00 0.00 C ATOM 321 CG GLU A 23 15.177 -0.545 27.626 1.00 0.00 C ATOM 322 CD GLU A 23 15.991 -1.484 26.767 1.00 0.00 C ATOM 323 OE1 GLU A 23 15.466 -2.541 26.372 1.00 0.00 O ATOM 324 OE2 GLU A 23 17.149 -1.149 26.444 1.00 0.00 O ATOM 0 H GLU A 23 12.089 1.317 25.919 1.00 0.00 H new ATOM 0 HA GLU A 23 13.223 1.230 28.499 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.175 -0.658 26.874 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.284 0.210 25.831 1.00 0.00 H new ATOM 0 HG2 GLU A 23 15.818 0.257 27.991 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.810 -1.083 28.500 1.00 0.00 H new ATOM 331 N CYS A 24 14.969 2.852 26.190 1.00 0.00 N ATOM 332 CA CYS A 24 16.124 3.721 25.952 1.00 0.00 C ATOM 333 C CYS A 24 16.157 4.934 26.882 1.00 0.00 C ATOM 334 O CYS A 24 17.235 5.429 27.207 1.00 0.00 O ATOM 335 CB CYS A 24 16.141 4.187 24.500 1.00 0.00 C ATOM 336 SG CYS A 24 16.260 2.845 23.291 1.00 0.00 S ATOM 0 H CYS A 24 14.435 2.634 25.349 1.00 0.00 H new ATOM 0 HA CYS A 24 17.012 3.126 26.165 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.234 4.759 24.303 1.00 0.00 H new ATOM 0 HB3 CYS A 24 16.983 4.865 24.358 1.00 0.00 H new ATOM 0 HG CYS A 24 15.546 3.138 22.245 1.00 0.00 H new ATOM 342 N LEU A 25 14.986 5.405 27.309 1.00 0.00 N ATOM 343 CA LEU A 25 14.895 6.558 28.207 1.00 0.00 C ATOM 344 C LEU A 25 15.709 6.351 29.485 1.00 0.00 C ATOM 345 O LEU A 25 16.230 7.309 30.055 1.00 0.00 O ATOM 346 CB LEU A 25 13.436 6.832 28.577 1.00 0.00 C ATOM 347 CG LEU A 25 12.533 7.245 27.416 1.00 0.00 C ATOM 348 CD1 LEU A 25 11.105 7.429 27.899 1.00 0.00 C ATOM 349 CD2 LEU A 25 13.045 8.522 26.764 1.00 0.00 C ATOM 0 H LEU A 25 14.085 5.006 27.047 1.00 0.00 H new ATOM 0 HA LEU A 25 15.308 7.414 27.673 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.021 5.935 29.037 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.412 7.618 29.332 1.00 0.00 H new ATOM 0 HG LEU A 25 12.548 6.452 26.669 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.473 7.723 27.061 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.739 6.492 28.318 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.077 8.204 28.665 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.388 8.798 25.940 1.00 0.00 H new ATOM 0 HD22 LEU A 25 13.061 9.325 27.500 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.053 8.358 26.384 1.00 0.00 H new ATOM 361 N LYS A 26 15.834 5.097 29.918 1.00 0.00 N ATOM 362 CA LYS A 26 16.530 4.782 31.166 1.00 0.00 C ATOM 363 C LYS A 26 18.009 5.170 31.098 1.00 0.00 C ATOM 364 O LYS A 26 18.616 5.495 32.118 1.00 0.00 O ATOM 365 CB LYS A 26 16.385 3.290 31.507 1.00 0.00 C ATOM 366 CG LYS A 26 17.166 2.363 30.586 1.00 0.00 C ATOM 367 CD LYS A 26 16.752 0.908 30.758 1.00 0.00 C ATOM 368 CE LYS A 26 17.017 0.400 32.167 1.00 0.00 C ATOM 369 NZ LYS A 26 16.636 -1.029 32.318 1.00 0.00 N ATOM 0 H LYS A 26 15.464 4.284 29.425 1.00 0.00 H new ATOM 0 HA LYS A 26 16.066 5.370 31.958 1.00 0.00 H new ATOM 0 HB2 LYS A 26 16.716 3.129 32.533 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.330 3.020 31.467 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.010 2.665 29.550 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.232 2.463 30.790 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.691 0.804 30.529 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.295 0.290 30.042 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.074 0.522 32.405 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.458 1.003 32.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.831 -1.339 33.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.622 -1.141 32.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.188 -1.608 31.653 1.00 0.00 H new ATOM 383 N ILE A 27 18.582 5.149 29.898 1.00 0.00 N ATOM 384 CA ILE A 27 19.998 5.468 29.722 1.00 0.00 C ATOM 385 C ILE A 27 20.194 6.612 28.730 1.00 0.00 C ATOM 386 O ILE A 27 21.325 6.976 28.405 1.00 0.00 O ATOM 387 CB ILE A 27 20.805 4.241 29.237 1.00 0.00 C ATOM 388 CG1 ILE A 27 20.161 3.632 27.986 1.00 0.00 C ATOM 389 CG2 ILE A 27 20.922 3.203 30.345 1.00 0.00 C ATOM 390 CD1 ILE A 27 20.931 2.461 27.410 1.00 0.00 C ATOM 0 H ILE A 27 18.091 4.916 29.035 1.00 0.00 H new ATOM 0 HA ILE A 27 20.368 5.773 30.701 1.00 0.00 H new ATOM 0 HB ILE A 27 21.810 4.573 28.975 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.151 3.305 28.232 1.00 0.00 H new ATOM 0 HG13 ILE A 27 20.069 4.405 27.223 1.00 0.00 H new ATOM 0 HG21 ILE A 27 21.493 2.348 29.984 1.00 0.00 H new ATOM 0 HG22 ILE A 27 21.431 3.643 31.203 1.00 0.00 H new ATOM 0 HG23 ILE A 27 19.926 2.875 30.643 1.00 0.00 H new ATOM 0 HD11 ILE A 27 20.414 2.084 26.528 1.00 0.00 H new ATOM 0 HD12 ILE A 27 21.933 2.786 27.132 1.00 0.00 H new ATOM 0 HD13 ILE A 27 21.001 1.669 28.156 1.00 0.00 H new ATOM 402 N GLY A 28 19.091 7.182 28.261 1.00 0.00 N ATOM 403 CA GLY A 28 19.165 8.243 27.272 1.00 0.00 C ATOM 404 C GLY A 28 19.718 7.751 25.948 1.00 0.00 C ATOM 405 O GLY A 28 20.509 8.436 25.301 1.00 0.00 O ATOM 0 H GLY A 28 18.145 6.929 28.547 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.171 8.662 27.116 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.795 9.048 27.651 1.00 0.00 H new ATOM 409 N SER A 29 19.303 6.556 25.551 1.00 0.00 N ATOM 410 CA SER A 29 19.785 5.941 24.323 1.00 0.00 C ATOM 411 C SER A 29 19.040 6.512 23.115 1.00 0.00 C ATOM 412 O SER A 29 17.810 6.464 23.057 1.00 0.00 O ATOM 413 CB SER A 29 19.601 4.420 24.403 1.00 0.00 C ATOM 414 OG SER A 29 20.156 3.757 23.279 1.00 0.00 O ATOM 0 H SER A 29 18.629 5.990 26.066 1.00 0.00 H new ATOM 0 HA SER A 29 20.846 6.162 24.203 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.070 4.046 25.313 1.00 0.00 H new ATOM 0 HB3 SER A 29 18.539 4.187 24.473 1.00 0.00 H new ATOM 0 HG SER A 29 20.169 2.791 23.442 1.00 0.00 H new ATOM 420 N PRO A 30 19.782 7.068 22.143 1.00 0.00 N ATOM 421 CA PRO A 30 19.196 7.686 20.949 1.00 0.00 C ATOM 422 C PRO A 30 18.702 6.660 19.929 1.00 0.00 C ATOM 423 O PRO A 30 18.938 5.457 20.069 1.00 0.00 O ATOM 424 CB PRO A 30 20.358 8.492 20.371 1.00 0.00 C ATOM 425 CG PRO A 30 21.579 7.754 20.799 1.00 0.00 C ATOM 426 CD PRO A 30 21.255 7.140 22.136 1.00 0.00 C ATOM 0 HA PRO A 30 18.315 8.280 21.192 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.294 8.556 19.285 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.359 9.514 20.751 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.844 6.986 20.072 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.433 8.427 20.877 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.704 6.153 22.242 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.630 7.750 22.958 1.00 0.00 H new ATOM 434 N TRP A 31 18.019 7.147 18.899 1.00 0.00 N ATOM 435 CA TRP A 31 17.474 6.285 17.862 1.00 0.00 C ATOM 436 C TRP A 31 17.371 7.036 16.539 1.00 0.00 C ATOM 437 O TRP A 31 17.376 8.267 16.513 1.00 0.00 O ATOM 438 CB TRP A 31 16.091 5.760 18.274 1.00 0.00 C ATOM 439 CG TRP A 31 15.075 6.840 18.533 1.00 0.00 C ATOM 440 CD1 TRP A 31 14.232 7.410 17.622 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.790 7.470 19.790 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.445 8.355 18.233 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.768 8.411 19.563 1.00 0.00 C ATOM 444 CE3 TRP A 31 15.300 7.332 21.084 1.00 0.00 C ATOM 445 CZ2 TRP A 31 13.248 9.206 20.581 1.00 0.00 C ATOM 446 CZ3 TRP A 31 14.783 8.122 22.093 1.00 0.00 C ATOM 447 CH2 TRP A 31 13.766 9.048 21.837 1.00 0.00 C ATOM 0 H TRP A 31 17.830 8.140 18.762 1.00 0.00 H new ATOM 0 HA TRP A 31 18.149 5.439 17.733 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.715 5.103 17.489 1.00 0.00 H new ATOM 0 HB3 TRP A 31 16.198 5.153 19.173 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.190 7.155 16.573 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.735 8.923 17.771 1.00 0.00 H new ATOM 0 HE3 TRP A 31 16.085 6.620 21.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 12.463 9.922 20.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 15.171 8.023 23.096 1.00 0.00 H new ATOM 0 HH2 TRP A 31 13.382 9.650 22.647 1.00 0.00 H new ATOM 458 N VAL A 32 17.298 6.289 15.446 1.00 0.00 N ATOM 459 CA VAL A 32 17.082 6.880 14.133 1.00 0.00 C ATOM 460 C VAL A 32 15.603 7.211 13.954 1.00 0.00 C ATOM 461 O VAL A 32 15.230 8.370 13.779 1.00 0.00 O ATOM 462 CB VAL A 32 17.544 5.936 12.999 1.00 0.00 C ATOM 463 CG1 VAL A 32 17.323 6.572 11.634 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.007 5.561 13.177 1.00 0.00 C ATOM 0 H VAL A 32 17.385 5.273 15.443 1.00 0.00 H new ATOM 0 HA VAL A 32 17.677 7.791 14.075 1.00 0.00 H new ATOM 0 HB VAL A 32 16.943 5.028 13.053 1.00 0.00 H new ATOM 0 HG11 VAL A 32 17.657 5.887 10.855 1.00 0.00 H new ATOM 0 HG12 VAL A 32 16.263 6.786 11.500 1.00 0.00 H new ATOM 0 HG13 VAL A 32 17.891 7.500 11.569 1.00 0.00 H new ATOM 0 HG21 VAL A 32 19.313 4.896 12.369 1.00 0.00 H new ATOM 0 HG22 VAL A 32 19.619 6.463 13.156 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.139 5.055 14.133 1.00 0.00 H new ATOM 474 N HIS A 33 14.769 6.178 14.008 1.00 0.00 N ATOM 475 CA HIS A 33 13.322 6.343 13.934 1.00 0.00 C ATOM 476 C HIS A 33 12.641 5.321 14.834 1.00 0.00 C ATOM 477 O HIS A 33 13.313 4.558 15.536 1.00 0.00 O ATOM 478 CB HIS A 33 12.809 6.198 12.493 1.00 0.00 C ATOM 479 CG HIS A 33 13.204 7.324 11.586 1.00 0.00 C ATOM 480 ND1 HIS A 33 12.676 8.590 11.689 1.00 0.00 N ATOM 481 CD2 HIS A 33 14.086 7.370 10.563 1.00 0.00 C ATOM 482 CE1 HIS A 33 13.212 9.366 10.770 1.00 0.00 C ATOM 483 NE2 HIS A 33 14.073 8.651 10.074 1.00 0.00 N ATOM 0 H HIS A 33 15.074 5.209 14.104 1.00 0.00 H new ATOM 0 HA HIS A 33 13.080 7.350 14.273 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.184 5.263 12.078 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.722 6.125 12.512 1.00 0.00 H new ATOM 0 HD1 HIS A 33 11.977 8.883 12.372 1.00 0.00 H new ATOM 0 HD2 HIS A 33 14.688 6.551 10.199 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.985 10.410 10.613 1.00 0.00 H new ATOM 492 N LEU A 34 11.317 5.293 14.798 1.00 0.00 N ATOM 493 CA LEU A 34 10.542 4.424 15.673 1.00 0.00 C ATOM 494 C LEU A 34 9.494 3.646 14.892 1.00 0.00 C ATOM 495 O LEU A 34 8.888 4.169 13.953 1.00 0.00 O ATOM 496 CB LEU A 34 9.844 5.250 16.754 1.00 0.00 C ATOM 497 CG LEU A 34 10.771 5.989 17.714 1.00 0.00 C ATOM 498 CD1 LEU A 34 9.971 6.904 18.624 1.00 0.00 C ATOM 499 CD2 LEU A 34 11.574 4.998 18.534 1.00 0.00 C ATOM 0 H LEU A 34 10.754 5.865 14.169 1.00 0.00 H new ATOM 0 HA LEU A 34 11.234 3.718 16.133 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.196 5.979 16.268 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.201 4.588 17.334 1.00 0.00 H new ATOM 0 HG LEU A 34 11.461 6.600 17.131 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.647 7.424 19.303 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.430 7.634 18.022 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.261 6.312 19.202 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.232 5.538 19.215 1.00 0.00 H new ATOM 0 HD22 LEU A 34 10.896 4.367 19.108 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.173 4.376 17.869 1.00 0.00 H new ATOM 511 N ARG A 35 9.283 2.401 15.290 1.00 0.00 N ATOM 512 CA ARG A 35 8.227 1.582 14.721 1.00 0.00 C ATOM 513 C ARG A 35 7.502 0.822 15.825 1.00 0.00 C ATOM 514 O ARG A 35 8.098 0.455 16.839 1.00 0.00 O ATOM 515 CB ARG A 35 8.766 0.622 13.650 1.00 0.00 C ATOM 516 CG ARG A 35 9.993 -0.183 14.056 1.00 0.00 C ATOM 517 CD ARG A 35 11.223 0.274 13.285 1.00 0.00 C ATOM 518 NE ARG A 35 12.208 -0.799 13.109 1.00 0.00 N ATOM 519 CZ ARG A 35 13.043 -0.880 12.067 1.00 0.00 C ATOM 520 NH1 ARG A 35 13.032 0.057 11.128 1.00 0.00 N ATOM 521 NH2 ARG A 35 13.895 -1.891 11.963 1.00 0.00 N ATOM 0 H ARG A 35 9.834 1.934 16.010 1.00 0.00 H new ATOM 0 HA ARG A 35 7.516 2.243 14.226 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.972 -0.072 13.374 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.009 1.199 12.758 1.00 0.00 H new ATOM 0 HG2 ARG A 35 10.168 -0.072 15.126 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.815 -1.242 13.870 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.917 0.646 12.307 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.689 1.107 13.811 1.00 0.00 H new ATOM 0 HE ARG A 35 12.259 -1.526 13.823 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.385 0.843 11.199 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.670 -0.008 10.335 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.917 -2.615 12.681 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.528 -1.944 11.165 1.00 0.00 H new ATOM 535 N ILE A 36 6.214 0.601 15.629 1.00 0.00 N ATOM 536 CA ILE A 36 5.365 0.015 16.658 1.00 0.00 C ATOM 537 C ILE A 36 4.571 -1.161 16.093 1.00 0.00 C ATOM 538 O ILE A 36 4.117 -1.115 14.956 1.00 0.00 O ATOM 539 CB ILE A 36 4.396 1.082 17.231 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.502 0.490 18.325 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.547 1.692 16.121 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.571 1.503 18.959 1.00 0.00 C ATOM 0 H ILE A 36 5.727 0.820 14.760 1.00 0.00 H new ATOM 0 HA ILE A 36 6.004 -0.349 17.462 1.00 0.00 H new ATOM 0 HB ILE A 36 4.999 1.871 17.679 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.909 -0.320 17.900 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.131 0.052 19.100 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.875 2.438 16.545 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.196 2.166 15.385 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.962 0.909 15.638 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.968 1.014 19.724 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.157 2.301 19.414 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.917 1.923 18.195 1.00 0.00 H new ATOM 554 N CYS A 37 4.428 -2.228 16.870 1.00 0.00 N ATOM 555 CA CYS A 37 3.628 -3.367 16.424 1.00 0.00 C ATOM 556 C CYS A 37 2.164 -2.978 16.342 1.00 0.00 C ATOM 557 O CYS A 37 1.659 -2.274 17.215 1.00 0.00 O ATOM 558 CB CYS A 37 3.693 -4.545 17.390 1.00 0.00 C ATOM 559 SG CYS A 37 5.335 -5.097 17.916 1.00 0.00 S ATOM 0 H CYS A 37 4.846 -2.331 17.795 1.00 0.00 H new ATOM 0 HA CYS A 37 4.038 -3.655 15.456 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.124 -4.282 18.282 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.185 -5.391 16.926 1.00 0.00 H new ATOM 0 HG CYS A 37 5.217 -6.139 18.684 1.00 0.00 H new ATOM 564 N ARG A 38 1.473 -3.486 15.338 1.00 0.00 N ATOM 565 CA ARG A 38 0.021 -3.363 15.267 1.00 0.00 C ATOM 566 C ARG A 38 -0.619 -4.447 16.136 1.00 0.00 C ATOM 567 O ARG A 38 -1.652 -5.023 15.787 1.00 0.00 O ATOM 568 CB ARG A 38 -0.448 -3.502 13.817 1.00 0.00 C ATOM 569 CG ARG A 38 0.007 -2.371 12.913 1.00 0.00 C ATOM 570 CD ARG A 38 -0.691 -1.066 13.258 1.00 0.00 C ATOM 571 NE ARG A 38 -2.140 -1.148 13.063 1.00 0.00 N ATOM 572 CZ ARG A 38 -2.907 -0.104 12.752 1.00 0.00 C ATOM 573 NH1 ARG A 38 -2.368 1.093 12.589 1.00 0.00 N ATOM 574 NH2 ARG A 38 -4.217 -0.260 12.591 1.00 0.00 N ATOM 0 H ARG A 38 1.892 -3.990 14.556 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.279 -2.382 15.634 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.080 -4.446 13.415 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.537 -3.552 13.801 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.086 -2.243 13.004 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.197 -2.630 11.874 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.479 -0.805 14.295 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.287 -0.265 12.639 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.588 -2.058 13.172 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.362 1.219 12.701 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.958 1.890 12.351 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.639 -1.182 12.706 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.801 0.542 12.353 1.00 0.00 H new ATOM 588 N THR A 39 -0.001 -4.702 17.286 1.00 0.00 N ATOM 589 CA THR A 39 -0.390 -5.815 18.135 1.00 0.00 C ATOM 590 C THR A 39 -0.314 -5.443 19.619 1.00 0.00 C ATOM 591 O THR A 39 -1.333 -5.356 20.296 1.00 0.00 O ATOM 592 CB THR A 39 0.522 -7.033 17.886 1.00 0.00 C ATOM 593 OG1 THR A 39 0.957 -7.051 16.519 1.00 0.00 O ATOM 594 CG2 THR A 39 -0.206 -8.329 18.203 1.00 0.00 C ATOM 0 H THR A 39 0.774 -4.148 17.649 1.00 0.00 H new ATOM 0 HA THR A 39 -1.421 -6.063 17.882 1.00 0.00 H new ATOM 0 HB THR A 39 1.387 -6.948 18.543 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.537 -7.827 16.370 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.458 -9.174 18.019 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.511 -8.328 19.249 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.088 -8.416 17.568 1.00 0.00 H new ATOM 602 N CYS A 40 0.902 -5.206 20.114 1.00 0.00 N ATOM 603 CA CYS A 40 1.110 -5.018 21.554 1.00 0.00 C ATOM 604 C CYS A 40 1.204 -3.538 21.930 1.00 0.00 C ATOM 605 O CYS A 40 1.290 -3.199 23.108 1.00 0.00 O ATOM 606 CB CYS A 40 2.372 -5.759 22.019 1.00 0.00 C ATOM 607 SG CYS A 40 3.941 -4.993 21.485 1.00 0.00 S ATOM 0 H CYS A 40 1.749 -5.140 19.549 1.00 0.00 H new ATOM 0 HA CYS A 40 0.241 -5.436 22.062 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.363 -5.818 23.107 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.336 -6.782 21.644 1.00 0.00 H new ATOM 0 HG CYS A 40 4.132 -5.230 20.221 1.00 0.00 H new ATOM 612 N GLY A 41 1.201 -2.663 20.927 1.00 0.00 N ATOM 613 CA GLY A 41 1.239 -1.229 21.186 1.00 0.00 C ATOM 614 C GLY A 41 2.564 -0.741 21.755 1.00 0.00 C ATOM 615 O GLY A 41 2.660 0.385 22.239 1.00 0.00 O ATOM 0 H GLY A 41 1.173 -2.919 19.940 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.035 -0.696 20.257 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.440 -0.974 21.882 1.00 0.00 H new ATOM 619 N HIS A 42 3.594 -1.573 21.688 1.00 0.00 N ATOM 620 CA HIS A 42 4.899 -1.195 22.212 1.00 0.00 C ATOM 621 C HIS A 42 5.747 -0.559 21.120 1.00 0.00 C ATOM 622 O HIS A 42 5.901 -1.122 20.032 1.00 0.00 O ATOM 623 CB HIS A 42 5.618 -2.408 22.812 1.00 0.00 C ATOM 624 CG HIS A 42 6.992 -2.107 23.337 1.00 0.00 C ATOM 625 ND1 HIS A 42 7.233 -1.660 24.615 1.00 0.00 N ATOM 626 CD2 HIS A 42 8.203 -2.193 22.738 1.00 0.00 C ATOM 627 CE1 HIS A 42 8.531 -1.481 24.779 1.00 0.00 C ATOM 628 NE2 HIS A 42 9.144 -1.800 23.655 1.00 0.00 N ATOM 0 H HIS A 42 3.553 -2.507 21.280 1.00 0.00 H new ATOM 0 HA HIS A 42 4.748 -0.463 23.005 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.011 -2.812 23.622 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.693 -3.185 22.052 1.00 0.00 H new ATOM 0 HD2 HIS A 42 8.393 -2.512 21.724 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.010 -1.132 25.682 1.00 0.00 H new ATOM 0 HE2 HIS A 42 10.151 -1.761 23.495 1.00 0.00 H new ATOM 637 N VAL A 43 6.289 0.609 21.424 1.00 0.00 N ATOM 638 CA VAL A 43 7.124 1.346 20.488 1.00 0.00 C ATOM 639 C VAL A 43 8.572 0.867 20.566 1.00 0.00 C ATOM 640 O VAL A 43 9.139 0.752 21.655 1.00 0.00 O ATOM 641 CB VAL A 43 7.072 2.861 20.779 1.00 0.00 C ATOM 642 CG1 VAL A 43 7.909 3.638 19.776 1.00 0.00 C ATOM 643 CG2 VAL A 43 5.634 3.358 20.780 1.00 0.00 C ATOM 0 H VAL A 43 6.163 1.072 22.324 1.00 0.00 H new ATOM 0 HA VAL A 43 6.737 1.163 19.485 1.00 0.00 H new ATOM 0 HB VAL A 43 7.494 3.029 21.770 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.855 4.703 20.004 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.946 3.307 19.833 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.527 3.463 18.770 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.619 4.428 20.987 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.184 3.171 19.805 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.068 2.832 21.548 1.00 0.00 H new ATOM 653 N GLY A 44 9.158 0.573 19.414 1.00 0.00 N ATOM 654 CA GLY A 44 10.540 0.144 19.369 1.00 0.00 C ATOM 655 C GLY A 44 11.357 0.981 18.410 1.00 0.00 C ATOM 656 O GLY A 44 10.832 1.486 17.417 1.00 0.00 O ATOM 0 H GLY A 44 8.697 0.625 18.505 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.973 0.208 20.367 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.586 -0.903 19.068 1.00 0.00 H new ATOM 660 N CYS A 45 12.639 1.137 18.702 1.00 0.00 N ATOM 661 CA CYS A 45 13.520 1.920 17.850 1.00 0.00 C ATOM 662 C CYS A 45 13.959 1.102 16.646 1.00 0.00 C ATOM 663 O CYS A 45 14.004 -0.131 16.707 1.00 0.00 O ATOM 664 CB CYS A 45 14.748 2.385 18.633 1.00 0.00 C ATOM 665 SG CYS A 45 15.769 1.042 19.284 1.00 0.00 S ATOM 0 H CYS A 45 13.092 0.732 19.521 1.00 0.00 H new ATOM 0 HA CYS A 45 12.969 2.795 17.503 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.362 3.011 17.985 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.420 3.011 19.463 1.00 0.00 H new ATOM 0 HG CYS A 45 15.294 0.652 20.430 1.00 0.00 H new ATOM 671 N CYS A 46 14.271 1.792 15.558 1.00 0.00 N ATOM 672 CA CYS A 46 14.782 1.144 14.361 1.00 0.00 C ATOM 673 C CYS A 46 16.070 0.384 14.656 1.00 0.00 C ATOM 674 O CYS A 46 16.880 0.800 15.490 1.00 0.00 O ATOM 675 CB CYS A 46 15.023 2.176 13.260 1.00 0.00 C ATOM 676 SG CYS A 46 13.515 2.935 12.618 1.00 0.00 S ATOM 0 H CYS A 46 14.178 2.805 15.481 1.00 0.00 H new ATOM 0 HA CYS A 46 14.034 0.429 14.020 1.00 0.00 H new ATOM 0 HB2 CYS A 46 15.675 2.959 13.647 1.00 0.00 H new ATOM 0 HB3 CYS A 46 15.554 1.697 12.438 1.00 0.00 H new ATOM 0 HG CYS A 46 13.691 3.264 11.373 1.00 0.00 H new ATOM 682 N ASP A 47 16.250 -0.728 13.960 1.00 0.00 N ATOM 683 CA ASP A 47 17.421 -1.580 14.135 1.00 0.00 C ATOM 684 C ASP A 47 18.617 -0.996 13.402 1.00 0.00 C ATOM 685 O ASP A 47 19.715 -1.551 13.428 1.00 0.00 O ATOM 686 CB ASP A 47 17.105 -2.992 13.651 1.00 0.00 C ATOM 687 CG ASP A 47 15.907 -3.567 14.378 1.00 0.00 C ATOM 688 OD1 ASP A 47 16.069 -4.057 15.516 1.00 0.00 O ATOM 689 OD2 ASP A 47 14.793 -3.519 13.824 1.00 0.00 O ATOM 0 H ASP A 47 15.591 -1.067 13.259 1.00 0.00 H new ATOM 0 HA ASP A 47 17.677 -1.629 15.193 1.00 0.00 H new ATOM 0 HB2 ASP A 47 16.909 -2.976 12.579 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.971 -3.635 13.807 1.00 0.00 H new ATOM 694 N ASP A 48 18.385 0.134 12.745 1.00 0.00 N ATOM 695 CA ASP A 48 19.457 0.933 12.171 1.00 0.00 C ATOM 696 C ASP A 48 20.323 1.482 13.295 1.00 0.00 C ATOM 697 O ASP A 48 21.511 1.746 13.119 1.00 0.00 O ATOM 698 CB ASP A 48 18.880 2.096 11.357 1.00 0.00 C ATOM 699 CG ASP A 48 17.813 1.653 10.377 1.00 0.00 C ATOM 700 OD1 ASP A 48 16.706 1.286 10.831 1.00 0.00 O ATOM 701 OD2 ASP A 48 18.063 1.683 9.157 1.00 0.00 O ATOM 0 H ASP A 48 17.452 0.520 12.596 1.00 0.00 H new ATOM 0 HA ASP A 48 20.055 0.306 11.510 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.458 2.836 12.037 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.686 2.588 10.812 1.00 0.00 H new ATOM 706 N SER A 49 19.700 1.659 14.454 1.00 0.00 N ATOM 707 CA SER A 49 20.396 2.083 15.650 1.00 0.00 C ATOM 708 C SER A 49 20.979 0.863 16.357 1.00 0.00 C ATOM 709 O SER A 49 20.352 -0.195 16.379 1.00 0.00 O ATOM 710 CB SER A 49 19.428 2.824 16.574 1.00 0.00 C ATOM 711 OG SER A 49 18.763 3.862 15.874 1.00 0.00 O ATOM 0 H SER A 49 18.699 1.511 14.585 1.00 0.00 H new ATOM 0 HA SER A 49 21.209 2.758 15.382 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.696 2.125 16.979 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.973 3.241 17.421 1.00 0.00 H new ATOM 0 HG SER A 49 18.028 3.483 15.348 1.00 0.00 H new ATOM 717 N PRO A 50 22.181 1.005 16.938 1.00 0.00 N ATOM 718 CA PRO A 50 22.903 -0.095 17.602 1.00 0.00 C ATOM 719 C PRO A 50 22.042 -0.897 18.581 1.00 0.00 C ATOM 720 O PRO A 50 22.226 -2.103 18.734 1.00 0.00 O ATOM 721 CB PRO A 50 24.015 0.627 18.360 1.00 0.00 C ATOM 722 CG PRO A 50 24.266 1.867 17.577 1.00 0.00 C ATOM 723 CD PRO A 50 22.946 2.264 16.977 1.00 0.00 C ATOM 0 HA PRO A 50 23.247 -0.832 16.876 1.00 0.00 H new ATOM 0 HB2 PRO A 50 23.712 0.859 19.381 1.00 0.00 H new ATOM 0 HB3 PRO A 50 24.913 0.012 18.426 1.00 0.00 H new ATOM 0 HG2 PRO A 50 24.655 2.659 18.217 1.00 0.00 H new ATOM 0 HG3 PRO A 50 25.009 1.692 16.799 1.00 0.00 H new ATOM 0 HD2 PRO A 50 22.443 3.018 17.582 1.00 0.00 H new ATOM 0 HD3 PRO A 50 23.071 2.686 15.980 1.00 0.00 H new ATOM 731 N HIS A 51 21.107 -0.222 19.239 1.00 0.00 N ATOM 732 CA HIS A 51 20.252 -0.864 20.234 1.00 0.00 C ATOM 733 C HIS A 51 19.421 -1.986 19.607 1.00 0.00 C ATOM 734 O HIS A 51 19.249 -3.043 20.211 1.00 0.00 O ATOM 735 CB HIS A 51 19.320 0.164 20.873 1.00 0.00 C ATOM 736 CG HIS A 51 19.187 0.020 22.359 1.00 0.00 C ATOM 737 ND1 HIS A 51 19.428 1.054 23.238 1.00 0.00 N ATOM 738 CD2 HIS A 51 18.797 -1.031 23.120 1.00 0.00 C ATOM 739 CE1 HIS A 51 19.188 0.648 24.469 1.00 0.00 C ATOM 740 NE2 HIS A 51 18.804 -0.612 24.428 1.00 0.00 N ATOM 0 H HIS A 51 20.920 0.771 19.102 1.00 0.00 H new ATOM 0 HA HIS A 51 20.898 -1.296 20.999 1.00 0.00 H new ATOM 0 HB2 HIS A 51 19.688 1.165 20.646 1.00 0.00 H new ATOM 0 HB3 HIS A 51 18.333 0.077 20.419 1.00 0.00 H new ATOM 0 HD2 HIS A 51 18.530 -2.015 22.764 1.00 0.00 H new ATOM 0 HE1 HIS A 51 19.289 1.248 25.362 1.00 0.00 H new ATOM 0 HE2 HIS A 51 18.553 -1.183 25.235 1.00 0.00 H new ATOM 749 N LYS A 52 18.929 -1.735 18.391 1.00 0.00 N ATOM 750 CA LYS A 52 18.062 -2.669 17.658 1.00 0.00 C ATOM 751 C LYS A 52 16.973 -3.264 18.542 1.00 0.00 C ATOM 752 O LYS A 52 17.045 -4.424 18.943 1.00 0.00 O ATOM 753 CB LYS A 52 18.869 -3.797 17.016 1.00 0.00 C ATOM 754 CG LYS A 52 20.006 -3.318 16.134 1.00 0.00 C ATOM 755 CD LYS A 52 20.556 -4.452 15.292 1.00 0.00 C ATOM 756 CE LYS A 52 21.117 -5.570 16.159 1.00 0.00 C ATOM 757 NZ LYS A 52 21.526 -6.754 15.356 1.00 0.00 N ATOM 0 H LYS A 52 19.121 -0.872 17.881 1.00 0.00 H new ATOM 0 HA LYS A 52 17.583 -2.082 16.874 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.276 -4.432 17.803 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.198 -4.417 16.421 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.654 -2.516 15.485 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.801 -2.902 16.753 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.767 -4.847 14.652 1.00 0.00 H new ATOM 0 HD3 LYS A 52 21.338 -4.072 14.635 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.976 -5.198 16.718 1.00 0.00 H new ATOM 0 HE3 LYS A 52 20.367 -5.871 16.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.902 -7.489 15.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.702 -7.127 14.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 22.261 -6.475 14.675 1.00 0.00 H new ATOM 771 N HIS A 53 15.971 -2.465 18.857 1.00 0.00 N ATOM 772 CA HIS A 53 14.882 -2.937 19.695 1.00 0.00 C ATOM 773 C HIS A 53 13.885 -3.778 18.915 1.00 0.00 C ATOM 774 O HIS A 53 13.382 -4.770 19.429 1.00 0.00 O ATOM 775 CB HIS A 53 14.158 -1.773 20.361 1.00 0.00 C ATOM 776 CG HIS A 53 14.606 -1.537 21.764 1.00 0.00 C ATOM 777 ND1 HIS A 53 15.028 -0.310 22.231 1.00 0.00 N ATOM 778 CD2 HIS A 53 14.678 -2.384 22.814 1.00 0.00 C ATOM 779 CE1 HIS A 53 15.339 -0.418 23.510 1.00 0.00 C ATOM 780 NE2 HIS A 53 15.134 -1.665 23.883 1.00 0.00 N ATOM 0 H HIS A 53 15.887 -1.496 18.550 1.00 0.00 H new ATOM 0 HA HIS A 53 15.331 -3.567 20.463 1.00 0.00 H new ATOM 0 HB2 HIS A 53 14.321 -0.868 19.776 1.00 0.00 H new ATOM 0 HB3 HIS A 53 13.086 -1.968 20.355 1.00 0.00 H new ATOM 0 HD2 HIS A 53 14.423 -3.433 22.809 1.00 0.00 H new ATOM 0 HE1 HIS A 53 15.700 0.380 24.142 1.00 0.00 H new ATOM 0 HE2 HIS A 53 15.291 -2.035 24.821 1.00 0.00 H new ATOM 789 N ALA A 54 13.616 -3.393 17.677 1.00 0.00 N ATOM 790 CA ALA A 54 12.549 -4.017 16.907 1.00 0.00 C ATOM 791 C ALA A 54 12.832 -5.491 16.615 1.00 0.00 C ATOM 792 O ALA A 54 11.961 -6.336 16.812 1.00 0.00 O ATOM 793 CB ALA A 54 12.302 -3.245 15.622 1.00 0.00 C ATOM 0 H ALA A 54 14.119 -2.655 17.185 1.00 0.00 H new ATOM 0 HA ALA A 54 11.645 -3.984 17.515 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.502 -3.724 15.058 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.014 -2.221 15.862 1.00 0.00 H new ATOM 0 HB3 ALA A 54 13.213 -3.235 15.023 1.00 0.00 H new ATOM 799 N THR A 55 14.044 -5.803 16.166 1.00 0.00 N ATOM 800 CA THR A 55 14.399 -7.185 15.854 1.00 0.00 C ATOM 801 C THR A 55 14.439 -8.052 17.111 1.00 0.00 C ATOM 802 O THR A 55 13.907 -9.162 17.124 1.00 0.00 O ATOM 803 CB THR A 55 15.755 -7.287 15.125 1.00 0.00 C ATOM 804 OG1 THR A 55 16.756 -6.532 15.822 1.00 0.00 O ATOM 805 CG2 THR A 55 15.643 -6.794 13.692 1.00 0.00 C ATOM 0 H THR A 55 14.791 -5.126 16.011 1.00 0.00 H new ATOM 0 HA THR A 55 13.618 -7.554 15.189 1.00 0.00 H new ATOM 0 HB THR A 55 16.047 -8.337 15.107 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.612 -5.575 15.666 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.613 -6.877 13.202 1.00 0.00 H new ATOM 0 HG22 THR A 55 14.912 -7.399 13.155 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.323 -5.752 13.690 1.00 0.00 H new ATOM 813 N ARG A 56 15.059 -7.541 18.170 1.00 0.00 N ATOM 814 CA ARG A 56 15.172 -8.290 19.416 1.00 0.00 C ATOM 815 C ARG A 56 13.802 -8.472 20.061 1.00 0.00 C ATOM 816 O ARG A 56 13.511 -9.520 20.637 1.00 0.00 O ATOM 817 CB ARG A 56 16.129 -7.594 20.384 1.00 0.00 C ATOM 818 CG ARG A 56 17.537 -7.446 19.832 1.00 0.00 C ATOM 819 CD ARG A 56 18.498 -6.907 20.878 1.00 0.00 C ATOM 820 NE ARG A 56 18.725 -7.863 21.962 1.00 0.00 N ATOM 821 CZ ARG A 56 19.834 -7.899 22.702 1.00 0.00 C ATOM 822 NH1 ARG A 56 20.816 -7.032 22.486 1.00 0.00 N ATOM 823 NH2 ARG A 56 19.972 -8.810 23.657 1.00 0.00 N ATOM 0 H ARG A 56 15.489 -6.616 18.190 1.00 0.00 H new ATOM 0 HA ARG A 56 15.577 -9.274 19.182 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.735 -6.607 20.627 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.168 -8.159 21.315 1.00 0.00 H new ATOM 0 HG2 ARG A 56 17.892 -8.413 19.476 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.522 -6.776 18.972 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.449 -6.664 20.405 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.101 -5.979 21.291 1.00 0.00 H new ATOM 0 HE ARG A 56 17.991 -8.542 22.164 1.00 0.00 H new ATOM 0 HH11 ARG A 56 20.725 -6.332 21.750 1.00 0.00 H new ATOM 0 HH12 ARG A 56 21.661 -7.066 23.056 1.00 0.00 H new ATOM 0 HH21 ARG A 56 19.228 -9.487 23.828 1.00 0.00 H new ATOM 0 HH22 ARG A 56 20.822 -8.834 24.220 1.00 0.00 H new ATOM 837 N HIS A 57 12.960 -7.453 19.951 1.00 0.00 N ATOM 838 CA HIS A 57 11.593 -7.537 20.441 1.00 0.00 C ATOM 839 C HIS A 57 10.803 -8.550 19.614 1.00 0.00 C ATOM 840 O HIS A 57 10.015 -9.327 20.155 1.00 0.00 O ATOM 841 CB HIS A 57 10.931 -6.152 20.402 1.00 0.00 C ATOM 842 CG HIS A 57 9.475 -6.149 20.749 1.00 0.00 C ATOM 843 ND1 HIS A 57 8.974 -5.914 22.012 1.00 0.00 N ATOM 844 CD2 HIS A 57 8.400 -6.351 19.953 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.640 -5.982 21.941 1.00 0.00 C ATOM 846 NE2 HIS A 57 7.244 -6.245 20.711 1.00 0.00 N ATOM 0 H HIS A 57 13.201 -6.558 19.526 1.00 0.00 H new ATOM 0 HA HIS A 57 11.603 -7.877 21.477 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.457 -5.492 21.092 1.00 0.00 H new ATOM 0 HB3 HIS A 57 11.054 -5.733 19.404 1.00 0.00 H new ATOM 0 HD2 HIS A 57 8.437 -6.562 18.894 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.975 -5.840 22.780 1.00 0.00 H new ATOM 0 HE2 HIS A 57 6.283 -6.349 20.384 1.00 0.00 H new ATOM 854 N PHE A 58 11.025 -8.540 18.303 1.00 0.00 N ATOM 855 CA PHE A 58 10.406 -9.513 17.410 1.00 0.00 C ATOM 856 C PHE A 58 10.849 -10.927 17.772 1.00 0.00 C ATOM 857 O PHE A 58 10.040 -11.851 17.787 1.00 0.00 O ATOM 858 CB PHE A 58 10.755 -9.200 15.949 1.00 0.00 C ATOM 859 CG PHE A 58 10.391 -10.295 14.981 1.00 0.00 C ATOM 860 CD1 PHE A 58 9.098 -10.785 14.912 1.00 0.00 C ATOM 861 CD2 PHE A 58 11.348 -10.830 14.139 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.768 -11.791 14.024 1.00 0.00 C ATOM 863 CE2 PHE A 58 11.026 -11.836 13.248 1.00 0.00 C ATOM 864 CZ PHE A 58 9.734 -12.317 13.191 1.00 0.00 C ATOM 0 H PHE A 58 11.631 -7.866 17.835 1.00 0.00 H new ATOM 0 HA PHE A 58 9.324 -9.449 17.528 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.244 -8.284 15.653 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.825 -9.006 15.876 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.338 -10.376 15.561 1.00 0.00 H new ATOM 0 HD2 PHE A 58 12.361 -10.457 14.178 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.756 -12.165 13.982 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.785 -12.245 12.597 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.479 -13.103 12.496 1.00 0.00 H new ATOM 874 N HIS A 59 12.128 -11.084 18.083 1.00 0.00 N ATOM 875 CA HIS A 59 12.675 -12.387 18.445 1.00 0.00 C ATOM 876 C HIS A 59 12.061 -12.897 19.748 1.00 0.00 C ATOM 877 O HIS A 59 11.895 -14.100 19.936 1.00 0.00 O ATOM 878 CB HIS A 59 14.198 -12.304 18.584 1.00 0.00 C ATOM 879 CG HIS A 59 14.861 -13.634 18.775 1.00 0.00 C ATOM 880 ND1 HIS A 59 15.212 -14.136 20.010 1.00 0.00 N ATOM 881 CD2 HIS A 59 15.241 -14.566 17.872 1.00 0.00 C ATOM 882 CE1 HIS A 59 15.781 -15.317 19.856 1.00 0.00 C ATOM 883 NE2 HIS A 59 15.810 -15.602 18.568 1.00 0.00 N ATOM 0 H HIS A 59 12.809 -10.324 18.092 1.00 0.00 H new ATOM 0 HA HIS A 59 12.426 -13.089 17.649 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.609 -11.828 17.694 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.442 -11.662 19.430 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.119 -14.506 16.801 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.159 -15.944 20.650 1.00 0.00 H new ATOM 0 HE2 HIS A 59 16.193 -16.453 18.157 1.00 0.00 H new ATOM 892 N ALA A 60 11.722 -11.977 20.639 1.00 0.00 N ATOM 893 CA ALA A 60 11.204 -12.341 21.949 1.00 0.00 C ATOM 894 C ALA A 60 9.691 -12.556 21.935 1.00 0.00 C ATOM 895 O ALA A 60 9.190 -13.515 22.522 1.00 0.00 O ATOM 896 CB ALA A 60 11.576 -11.275 22.968 1.00 0.00 C ATOM 0 H ALA A 60 11.796 -10.972 20.478 1.00 0.00 H new ATOM 0 HA ALA A 60 11.660 -13.290 22.230 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.185 -11.554 23.946 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.661 -11.187 23.023 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.149 -10.319 22.666 1.00 0.00 H new ATOM 902 N THR A 61 8.963 -11.669 21.268 1.00 0.00 N ATOM 903 CA THR A 61 7.502 -11.697 21.322 1.00 0.00 C ATOM 904 C THR A 61 6.883 -12.372 20.099 1.00 0.00 C ATOM 905 O THR A 61 5.792 -12.938 20.179 1.00 0.00 O ATOM 906 CB THR A 61 6.925 -10.275 21.460 1.00 0.00 C ATOM 907 OG1 THR A 61 7.372 -9.452 20.373 1.00 0.00 O ATOM 908 CG2 THR A 61 7.345 -9.646 22.779 1.00 0.00 C ATOM 0 H THR A 61 9.353 -10.927 20.688 1.00 0.00 H new ATOM 0 HA THR A 61 7.244 -12.286 22.202 1.00 0.00 H new ATOM 0 HB THR A 61 5.838 -10.348 21.437 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.280 -9.133 20.556 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.926 -8.643 22.853 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.978 -10.255 23.605 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.433 -9.589 22.825 1.00 0.00 H new ATOM 916 N GLY A 62 7.577 -12.313 18.971 1.00 0.00 N ATOM 917 CA GLY A 62 7.038 -12.865 17.743 1.00 0.00 C ATOM 918 C GLY A 62 6.055 -11.922 17.075 1.00 0.00 C ATOM 919 O GLY A 62 4.994 -12.342 16.615 1.00 0.00 O ATOM 0 H GLY A 62 8.503 -11.893 18.884 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.855 -13.083 17.055 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.542 -13.811 17.959 1.00 0.00 H new ATOM 923 N HIS A 63 6.401 -10.640 17.033 1.00 0.00 N ATOM 924 CA HIS A 63 5.551 -9.639 16.395 1.00 0.00 C ATOM 925 C HIS A 63 6.217 -9.132 15.122 1.00 0.00 C ATOM 926 O HIS A 63 7.061 -8.240 15.170 1.00 0.00 O ATOM 927 CB HIS A 63 5.263 -8.470 17.347 1.00 0.00 C ATOM 928 CG HIS A 63 4.446 -8.855 18.544 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.462 -8.114 19.706 1.00 0.00 N ATOM 930 CD2 HIS A 63 3.613 -9.911 18.707 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.647 -8.740 20.539 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.110 -9.831 19.978 1.00 0.00 N ATOM 0 H HIS A 63 7.263 -10.269 17.432 1.00 0.00 H new ATOM 0 HA HIS A 63 4.600 -10.107 16.141 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.209 -8.046 17.685 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.741 -7.686 16.798 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.388 -10.671 17.974 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.440 -8.412 21.547 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.453 -10.478 20.414 1.00 0.00 H new ATOM 940 N PRO A 64 5.850 -9.709 13.969 1.00 0.00 N ATOM 941 CA PRO A 64 6.532 -9.448 12.699 1.00 0.00 C ATOM 942 C PRO A 64 6.127 -8.135 12.031 1.00 0.00 C ATOM 943 O PRO A 64 6.832 -7.652 11.148 1.00 0.00 O ATOM 944 CB PRO A 64 6.099 -10.630 11.835 1.00 0.00 C ATOM 945 CG PRO A 64 4.741 -10.982 12.336 1.00 0.00 C ATOM 946 CD PRO A 64 4.746 -10.680 13.812 1.00 0.00 C ATOM 0 HA PRO A 64 7.608 -9.349 12.843 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.075 -10.362 10.779 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.788 -11.468 11.935 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.974 -10.402 11.823 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.520 -12.034 12.155 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.794 -10.260 14.138 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.917 -11.579 14.404 1.00 0.00 H new ATOM 954 N ILE A 65 4.998 -7.565 12.431 1.00 0.00 N ATOM 955 CA ILE A 65 4.505 -6.358 11.782 1.00 0.00 C ATOM 956 C ILE A 65 4.768 -5.117 12.622 1.00 0.00 C ATOM 957 O ILE A 65 4.313 -5.005 13.766 1.00 0.00 O ATOM 958 CB ILE A 65 3.001 -6.450 11.441 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.774 -7.530 10.380 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.477 -5.102 10.951 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.332 -7.668 9.946 1.00 0.00 C ATOM 0 H ILE A 65 4.413 -7.913 13.191 1.00 0.00 H new ATOM 0 HA ILE A 65 5.060 -6.271 10.848 1.00 0.00 H new ATOM 0 HB ILE A 65 2.452 -6.719 12.344 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.386 -7.302 9.507 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.119 -8.487 10.770 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.416 -5.188 10.716 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.617 -4.352 11.730 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.024 -4.802 10.057 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.252 -8.452 9.193 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.716 -7.927 10.807 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.987 -6.724 9.524 1.00 0.00 H new ATOM 973 N ILE A 66 5.510 -4.197 12.030 1.00 0.00 N ATOM 974 CA ILE A 66 5.827 -2.925 12.649 1.00 0.00 C ATOM 975 C ILE A 66 5.336 -1.778 11.773 1.00 0.00 C ATOM 976 O ILE A 66 5.566 -1.761 10.565 1.00 0.00 O ATOM 977 CB ILE A 66 7.345 -2.774 12.888 1.00 0.00 C ATOM 978 CG1 ILE A 66 8.118 -3.026 11.588 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.805 -3.725 13.983 1.00 0.00 C ATOM 980 CD1 ILE A 66 9.602 -2.763 11.697 1.00 0.00 C ATOM 0 H ILE A 66 5.911 -4.314 11.100 1.00 0.00 H new ATOM 0 HA ILE A 66 5.323 -2.894 13.615 1.00 0.00 H new ATOM 0 HB ILE A 66 7.548 -1.754 13.213 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.964 -4.060 11.280 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.704 -2.394 10.802 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.877 -3.607 14.140 1.00 0.00 H new ATOM 0 HG22 ILE A 66 7.275 -3.498 14.908 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.593 -4.752 13.686 1.00 0.00 H new ATOM 0 HD11 ILE A 66 10.079 -2.964 10.737 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.768 -1.722 11.974 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.032 -3.414 12.459 1.00 0.00 H new ATOM 992 N GLU A 67 4.650 -0.835 12.383 1.00 0.00 N ATOM 993 CA GLU A 67 4.105 0.303 11.668 1.00 0.00 C ATOM 994 C GLU A 67 4.984 1.532 11.868 1.00 0.00 C ATOM 995 O GLU A 67 5.609 1.692 12.921 1.00 0.00 O ATOM 996 CB GLU A 67 2.678 0.571 12.151 1.00 0.00 C ATOM 997 CG GLU A 67 2.041 1.812 11.553 1.00 0.00 C ATOM 998 CD GLU A 67 0.565 1.904 11.858 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.195 1.987 13.049 1.00 0.00 O ATOM 1000 OE2 GLU A 67 -0.236 1.890 10.911 1.00 0.00 O ATOM 0 H GLU A 67 4.454 -0.834 13.384 1.00 0.00 H new ATOM 0 HA GLU A 67 4.082 0.080 10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.058 -0.293 11.913 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.686 0.668 13.237 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.545 2.698 11.939 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.187 1.808 10.473 1.00 0.00 H new ATOM 1007 N GLY A 68 5.051 2.376 10.841 1.00 0.00 N ATOM 1008 CA GLY A 68 5.795 3.617 10.934 1.00 0.00 C ATOM 1009 C GLY A 68 5.187 4.566 11.947 1.00 0.00 C ATOM 1010 O GLY A 68 4.192 5.231 11.665 1.00 0.00 O ATOM 0 H GLY A 68 4.599 2.219 9.940 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.827 3.402 11.212 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.822 4.098 9.956 1.00 0.00 H new ATOM 1014 N TYR A 69 5.790 4.619 13.124 1.00 0.00 N ATOM 1015 CA TYR A 69 5.263 5.403 14.232 1.00 0.00 C ATOM 1016 C TYR A 69 5.838 6.819 14.232 1.00 0.00 C ATOM 1017 O TYR A 69 5.097 7.802 14.178 1.00 0.00 O ATOM 1018 CB TYR A 69 5.582 4.682 15.545 1.00 0.00 C ATOM 1019 CG TYR A 69 5.293 5.487 16.789 1.00 0.00 C ATOM 1020 CD1 TYR A 69 3.995 5.827 17.142 1.00 0.00 C ATOM 1021 CD2 TYR A 69 6.328 5.897 17.617 1.00 0.00 C ATOM 1022 CE1 TYR A 69 3.739 6.558 18.284 1.00 0.00 C ATOM 1023 CE2 TYR A 69 6.080 6.626 18.759 1.00 0.00 C ATOM 1024 CZ TYR A 69 4.786 6.955 19.088 1.00 0.00 C ATOM 1025 OH TYR A 69 4.540 7.682 20.228 1.00 0.00 O ATOM 0 H TYR A 69 6.655 4.123 13.339 1.00 0.00 H new ATOM 0 HA TYR A 69 4.183 5.497 14.122 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.008 3.757 15.585 1.00 0.00 H new ATOM 0 HB3 TYR A 69 6.636 4.403 15.545 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.173 5.515 16.514 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.345 5.640 17.362 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.724 6.818 18.546 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.897 6.937 19.393 1.00 0.00 H new ATOM 0 HH TYR A 69 5.389 7.988 20.610 1.00 0.00 H new ATOM 1035 N ASP A 70 7.160 6.913 14.294 1.00 0.00 N ATOM 1036 CA ASP A 70 7.842 8.207 14.298 1.00 0.00 C ATOM 1037 C ASP A 70 7.786 8.882 12.921 1.00 0.00 C ATOM 1038 O ASP A 70 7.435 10.058 12.833 1.00 0.00 O ATOM 1039 CB ASP A 70 9.289 8.050 14.775 1.00 0.00 C ATOM 1040 CG ASP A 70 10.162 9.241 14.435 1.00 0.00 C ATOM 1041 OD1 ASP A 70 9.938 10.339 14.983 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.077 9.076 13.607 1.00 0.00 O ATOM 0 H ASP A 70 7.785 6.109 14.342 1.00 0.00 H new ATOM 0 HA ASP A 70 7.317 8.857 14.997 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.295 7.900 15.855 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.717 7.154 14.326 1.00 0.00 H new ATOM 1047 N PRO A 71 8.138 8.173 11.821 1.00 0.00 N ATOM 1048 CA PRO A 71 7.991 8.720 10.470 1.00 0.00 C ATOM 1049 C PRO A 71 6.522 8.813 10.069 1.00 0.00 C ATOM 1050 O PRO A 71 5.849 7.790 9.910 1.00 0.00 O ATOM 1051 CB PRO A 71 8.733 7.718 9.571 1.00 0.00 C ATOM 1052 CG PRO A 71 9.484 6.824 10.500 1.00 0.00 C ATOM 1053 CD PRO A 71 8.712 6.821 11.785 1.00 0.00 C ATOM 0 HA PRO A 71 8.389 9.732 10.392 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.034 7.148 8.959 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.410 8.231 8.888 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.565 5.817 10.091 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.500 7.188 10.656 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.939 6.053 11.791 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.356 6.632 12.644 1.00 0.00 H new ATOM 1061 N PRO A 72 6.000 10.039 9.914 1.00 0.00 N ATOM 1062 CA PRO A 72 4.591 10.272 9.604 1.00 0.00 C ATOM 1063 C PRO A 72 4.257 9.939 8.154 1.00 0.00 C ATOM 1064 O PRO A 72 4.138 10.827 7.307 1.00 0.00 O ATOM 1065 CB PRO A 72 4.393 11.773 9.873 1.00 0.00 C ATOM 1066 CG PRO A 72 5.668 12.248 10.493 1.00 0.00 C ATOM 1067 CD PRO A 72 6.734 11.300 10.030 1.00 0.00 C ATOM 0 HA PRO A 72 3.937 9.637 10.202 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.183 12.311 8.949 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.547 11.943 10.539 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.894 13.269 10.186 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.595 12.251 11.581 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.167 11.608 9.078 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.554 11.229 10.745 1.00 0.00 H new ATOM 1075 N GLU A 73 4.140 8.652 7.869 1.00 0.00 N ATOM 1076 CA GLU A 73 3.810 8.188 6.531 1.00 0.00 C ATOM 1077 C GLU A 73 2.580 7.287 6.573 1.00 0.00 C ATOM 1078 O GLU A 73 1.540 7.608 5.996 1.00 0.00 O ATOM 1079 CB GLU A 73 4.999 7.437 5.922 1.00 0.00 C ATOM 1080 CG GLU A 73 6.283 8.252 5.885 1.00 0.00 C ATOM 1081 CD GLU A 73 7.458 7.470 5.338 1.00 0.00 C ATOM 1082 OE1 GLU A 73 8.035 6.651 6.086 1.00 0.00 O ATOM 1083 OE2 GLU A 73 7.818 7.675 4.160 1.00 0.00 O ATOM 0 H GLU A 73 4.270 7.905 8.552 1.00 0.00 H new ATOM 0 HA GLU A 73 3.587 9.053 5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.174 6.526 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.743 7.132 4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.127 9.140 5.273 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.519 8.596 6.892 1.00 0.00 H new ATOM 1090 N GLY A 74 2.699 6.167 7.270 1.00 0.00 N ATOM 1091 CA GLY A 74 1.583 5.252 7.394 1.00 0.00 C ATOM 1092 C GLY A 74 1.796 3.976 6.611 1.00 0.00 C ATOM 1093 O GLY A 74 1.210 3.782 5.546 1.00 0.00 O ATOM 0 H GLY A 74 3.549 5.875 7.752 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.431 5.009 8.446 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.674 5.742 7.045 1.00 0.00 H new ATOM 1097 N TRP A 75 2.633 3.101 7.140 1.00 0.00 N ATOM 1098 CA TRP A 75 2.948 1.849 6.474 1.00 0.00 C ATOM 1099 C TRP A 75 3.254 0.768 7.496 1.00 0.00 C ATOM 1100 O TRP A 75 3.636 1.068 8.630 1.00 0.00 O ATOM 1101 CB TRP A 75 4.135 2.026 5.519 1.00 0.00 C ATOM 1102 CG TRP A 75 5.318 2.715 6.137 1.00 0.00 C ATOM 1103 CD1 TRP A 75 5.621 4.041 6.045 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.355 2.122 6.933 1.00 0.00 C ATOM 1105 NE1 TRP A 75 6.775 4.312 6.735 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.246 3.151 7.288 1.00 0.00 C ATOM 1107 CE3 TRP A 75 6.616 0.822 7.382 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.377 2.923 8.069 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 7.739 0.597 8.157 1.00 0.00 C ATOM 1110 CH2 TRP A 75 8.607 1.643 8.493 1.00 0.00 C ATOM 0 H TRP A 75 3.109 3.235 8.032 1.00 0.00 H new ATOM 0 HA TRP A 75 2.079 1.545 5.891 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.446 1.046 5.157 1.00 0.00 H new ATOM 0 HB3 TRP A 75 3.807 2.597 4.650 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.037 4.772 5.507 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.212 5.230 6.822 1.00 0.00 H new ATOM 0 HE3 TRP A 75 5.952 0.009 7.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.048 3.728 8.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 7.950 -0.402 8.509 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.476 1.435 9.099 1.00 0.00 H new ATOM 1121 N GLY A 76 3.083 -0.479 7.091 1.00 0.00 N ATOM 1122 CA GLY A 76 3.390 -1.591 7.961 1.00 0.00 C ATOM 1123 C GLY A 76 4.404 -2.528 7.343 1.00 0.00 C ATOM 1124 O GLY A 76 4.207 -3.022 6.230 1.00 0.00 O ATOM 0 H GLY A 76 2.735 -0.742 6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.774 -1.215 8.909 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.476 -2.141 8.183 1.00 0.00 H new ATOM 1128 N TRP A 77 5.493 -2.765 8.056 1.00 0.00 N ATOM 1129 CA TRP A 77 6.529 -3.674 7.599 1.00 0.00 C ATOM 1130 C TRP A 77 6.359 -5.019 8.287 1.00 0.00 C ATOM 1131 O TRP A 77 6.079 -5.080 9.481 1.00 0.00 O ATOM 1132 CB TRP A 77 7.918 -3.097 7.899 1.00 0.00 C ATOM 1133 CG TRP A 77 9.053 -3.946 7.400 1.00 0.00 C ATOM 1134 CD1 TRP A 77 9.743 -4.897 8.102 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.635 -3.914 6.092 1.00 0.00 C ATOM 1136 NE1 TRP A 77 10.711 -5.461 7.305 1.00 0.00 N ATOM 1137 CE2 TRP A 77 10.666 -4.872 6.069 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.383 -3.170 4.938 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.443 -5.102 4.936 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.155 -3.399 3.814 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.174 -4.359 3.821 1.00 0.00 C ATOM 0 H TRP A 77 5.682 -2.336 8.962 1.00 0.00 H new ATOM 0 HA TRP A 77 6.439 -3.806 6.521 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.994 -2.107 7.450 1.00 0.00 H new ATOM 0 HB3 TRP A 77 8.021 -2.967 8.976 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.555 -5.165 9.131 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.357 -6.198 7.588 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.598 -2.428 4.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.230 -5.841 4.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 9.969 -2.828 2.916 1.00 0.00 H new ATOM 0 HH2 TRP A 77 11.759 -4.516 2.927 1.00 0.00 H new ATOM 1152 N CYS A 78 6.512 -6.092 7.536 1.00 0.00 N ATOM 1153 CA CYS A 78 6.379 -7.426 8.097 1.00 0.00 C ATOM 1154 C CYS A 78 7.690 -8.178 7.942 1.00 0.00 C ATOM 1155 O CYS A 78 8.028 -8.588 6.842 1.00 0.00 O ATOM 1156 CB CYS A 78 5.253 -8.181 7.394 1.00 0.00 C ATOM 1157 SG CYS A 78 4.618 -9.617 8.318 1.00 0.00 S ATOM 0 H CYS A 78 6.728 -6.069 6.539 1.00 0.00 H new ATOM 0 HA CYS A 78 6.136 -7.346 9.157 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.430 -7.491 7.208 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.611 -8.519 6.422 1.00 0.00 H new ATOM 0 HG CYS A 78 4.631 -10.667 7.551 1.00 0.00 H new ATOM 1162 N TYR A 79 8.415 -8.354 9.044 1.00 0.00 N ATOM 1163 CA TYR A 79 9.757 -8.954 9.017 1.00 0.00 C ATOM 1164 C TYR A 79 9.805 -10.276 8.252 1.00 0.00 C ATOM 1165 O TYR A 79 10.621 -10.443 7.350 1.00 0.00 O ATOM 1166 CB TYR A 79 10.287 -9.161 10.440 1.00 0.00 C ATOM 1167 CG TYR A 79 10.847 -7.903 11.065 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.899 -7.227 10.460 1.00 0.00 C ATOM 1169 CD2 TYR A 79 10.336 -7.394 12.254 1.00 0.00 C ATOM 1170 CE1 TYR A 79 12.424 -6.079 11.016 1.00 0.00 C ATOM 1171 CE2 TYR A 79 10.859 -6.243 12.816 1.00 0.00 C ATOM 1172 CZ TYR A 79 11.901 -5.590 12.191 1.00 0.00 C ATOM 1173 OH TYR A 79 12.425 -4.444 12.739 1.00 0.00 O ATOM 0 H TYR A 79 8.097 -8.089 9.976 1.00 0.00 H new ATOM 0 HA TYR A 79 10.395 -8.248 8.485 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.481 -9.541 11.068 1.00 0.00 H new ATOM 0 HB3 TYR A 79 11.064 -9.925 10.422 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.313 -7.607 9.538 1.00 0.00 H new ATOM 0 HD2 TYR A 79 9.520 -7.904 12.745 1.00 0.00 H new ATOM 0 HE1 TYR A 79 13.242 -5.566 10.531 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.453 -5.858 13.740 1.00 0.00 H new ATOM 0 HH TYR A 79 13.357 -4.601 12.996 1.00 0.00 H new ATOM 1183 N VAL A 80 8.924 -11.204 8.602 1.00 0.00 N ATOM 1184 CA VAL A 80 8.916 -12.533 7.988 1.00 0.00 C ATOM 1185 C VAL A 80 8.579 -12.490 6.492 1.00 0.00 C ATOM 1186 O VAL A 80 8.862 -13.436 5.757 1.00 0.00 O ATOM 1187 CB VAL A 80 7.944 -13.486 8.714 1.00 0.00 C ATOM 1188 CG1 VAL A 80 8.488 -13.854 10.084 1.00 0.00 C ATOM 1189 CG2 VAL A 80 6.564 -12.861 8.845 1.00 0.00 C ATOM 0 H VAL A 80 8.202 -11.064 9.309 1.00 0.00 H new ATOM 0 HA VAL A 80 9.931 -12.916 8.090 1.00 0.00 H new ATOM 0 HB VAL A 80 7.851 -14.393 8.117 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.791 -14.527 10.584 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.453 -14.349 9.972 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.611 -12.951 10.681 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.898 -13.553 9.360 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.637 -11.935 9.416 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.166 -12.646 7.853 1.00 0.00 H new ATOM 1199 N ASP A 81 7.964 -11.403 6.048 1.00 0.00 N ATOM 1200 CA ASP A 81 7.578 -11.260 4.645 1.00 0.00 C ATOM 1201 C ASP A 81 8.552 -10.350 3.906 1.00 0.00 C ATOM 1202 O ASP A 81 8.786 -10.517 2.710 1.00 0.00 O ATOM 1203 CB ASP A 81 6.164 -10.678 4.528 1.00 0.00 C ATOM 1204 CG ASP A 81 5.091 -11.598 5.072 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.067 -11.821 6.293 1.00 0.00 O ATOM 1206 OD2 ASP A 81 4.245 -12.065 4.290 1.00 0.00 O ATOM 0 H ASP A 81 7.720 -10.606 6.636 1.00 0.00 H new ATOM 0 HA ASP A 81 7.599 -12.253 4.195 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.124 -9.729 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.952 -10.464 3.480 1.00 0.00 H new ATOM 1211 N GLU A 82 9.098 -9.381 4.638 1.00 0.00 N ATOM 1212 CA GLU A 82 9.986 -8.355 4.089 1.00 0.00 C ATOM 1213 C GLU A 82 9.243 -7.486 3.081 1.00 0.00 C ATOM 1214 O GLU A 82 9.837 -6.916 2.163 1.00 0.00 O ATOM 1215 CB GLU A 82 11.247 -8.964 3.466 1.00 0.00 C ATOM 1216 CG GLU A 82 12.135 -9.668 4.479 1.00 0.00 C ATOM 1217 CD GLU A 82 13.562 -9.824 4.000 1.00 0.00 C ATOM 1218 OE1 GLU A 82 13.841 -10.769 3.235 1.00 0.00 O ATOM 1219 OE2 GLU A 82 14.414 -9.003 4.394 1.00 0.00 O ATOM 0 H GLU A 82 8.935 -9.284 5.640 1.00 0.00 H new ATOM 0 HA GLU A 82 10.310 -7.724 4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.956 -9.674 2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.819 -8.176 2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.129 -9.106 5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.720 -10.652 4.697 1.00 0.00 H new ATOM 1226 N VAL A 83 7.937 -7.374 3.280 1.00 0.00 N ATOM 1227 CA VAL A 83 7.104 -6.520 2.452 1.00 0.00 C ATOM 1228 C VAL A 83 6.524 -5.386 3.287 1.00 0.00 C ATOM 1229 O VAL A 83 6.397 -5.504 4.512 1.00 0.00 O ATOM 1230 CB VAL A 83 5.949 -7.302 1.782 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.490 -8.433 0.922 1.00 0.00 C ATOM 1232 CG2 VAL A 83 4.973 -7.839 2.820 1.00 0.00 C ATOM 0 H VAL A 83 7.431 -7.869 4.014 1.00 0.00 H new ATOM 0 HA VAL A 83 7.741 -6.119 1.664 1.00 0.00 H new ATOM 0 HB VAL A 83 5.408 -6.609 1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.660 -8.969 0.461 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.134 -8.023 0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.065 -9.120 1.543 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.173 -8.384 2.319 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.498 -8.510 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.549 -7.009 3.384 1.00 0.00 H new ATOM 1242 N MET A 84 6.186 -4.295 2.622 1.00 0.00 N ATOM 1243 CA MET A 84 5.608 -3.136 3.279 1.00 0.00 C ATOM 1244 C MET A 84 4.242 -2.836 2.681 1.00 0.00 C ATOM 1245 O MET A 84 4.118 -2.644 1.475 1.00 0.00 O ATOM 1246 CB MET A 84 6.525 -1.921 3.108 1.00 0.00 C ATOM 1247 CG MET A 84 5.996 -0.653 3.762 1.00 0.00 C ATOM 1248 SD MET A 84 6.996 0.800 3.376 1.00 0.00 S ATOM 1249 CE MET A 84 8.579 0.321 4.064 1.00 0.00 C ATOM 0 H MET A 84 6.304 -4.188 1.615 1.00 0.00 H new ATOM 0 HA MET A 84 5.498 -3.350 4.342 1.00 0.00 H new ATOM 0 HB2 MET A 84 7.503 -2.154 3.529 1.00 0.00 H new ATOM 0 HB3 MET A 84 6.672 -1.735 2.044 1.00 0.00 H new ATOM 0 HG2 MET A 84 4.971 -0.481 3.434 1.00 0.00 H new ATOM 0 HG3 MET A 84 5.966 -0.792 4.843 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.221 1.198 4.146 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.430 -0.113 5.053 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.051 -0.414 3.413 1.00 0.00 H new ATOM 1259 N PHE A 85 3.217 -2.807 3.512 1.00 0.00 N ATOM 1260 CA PHE A 85 1.879 -2.501 3.032 1.00 0.00 C ATOM 1261 C PHE A 85 1.408 -1.164 3.582 1.00 0.00 C ATOM 1262 O PHE A 85 1.972 -0.650 4.551 1.00 0.00 O ATOM 1263 CB PHE A 85 0.891 -3.624 3.373 1.00 0.00 C ATOM 1264 CG PHE A 85 0.817 -3.997 4.829 1.00 0.00 C ATOM 1265 CD1 PHE A 85 1.710 -4.909 5.371 1.00 0.00 C ATOM 1266 CD2 PHE A 85 -0.160 -3.458 5.646 1.00 0.00 C ATOM 1267 CE1 PHE A 85 1.632 -5.268 6.702 1.00 0.00 C ATOM 1268 CE2 PHE A 85 -0.244 -3.816 6.977 1.00 0.00 C ATOM 1269 CZ PHE A 85 0.653 -4.721 7.506 1.00 0.00 C ATOM 0 H PHE A 85 3.282 -2.989 4.513 1.00 0.00 H new ATOM 0 HA PHE A 85 1.919 -2.426 1.945 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.103 -3.324 3.041 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.164 -4.511 2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.475 -5.343 4.745 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.865 -2.749 5.238 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.336 -5.976 7.113 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.012 -3.388 7.604 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.589 -5.001 8.547 1.00 0.00 H new ATOM 1279 N ASP A 86 0.383 -0.604 2.957 1.00 0.00 N ATOM 1280 CA ASP A 86 -0.099 0.725 3.309 1.00 0.00 C ATOM 1281 C ASP A 86 -1.019 0.675 4.518 1.00 0.00 C ATOM 1282 O ASP A 86 -1.919 -0.163 4.595 1.00 0.00 O ATOM 1283 CB ASP A 86 -0.842 1.359 2.130 1.00 0.00 C ATOM 1284 CG ASP A 86 -1.461 2.697 2.491 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -0.777 3.730 2.346 1.00 0.00 O ATOM 1286 OD2 ASP A 86 -2.636 2.721 2.926 1.00 0.00 O ATOM 0 H ASP A 86 -0.134 -1.051 2.200 1.00 0.00 H new ATOM 0 HA ASP A 86 0.771 1.333 3.557 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.151 1.494 1.298 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.623 0.680 1.789 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.778 1.578 5.454 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.623 1.731 6.626 1.00 0.00 C ATOM 1293 C LEU A 87 -1.881 3.208 6.873 1.00 0.00 C ATOM 1294 O LEU A 87 -2.230 3.610 7.974 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.963 1.104 7.859 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.948 -0.425 7.891 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.184 -0.922 9.108 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -2.370 -0.969 7.900 1.00 0.00 C ATOM 0 H LEU A 87 0.009 2.226 5.422 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.568 1.218 6.446 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.065 1.462 7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.480 1.464 8.749 1.00 0.00 H new ATOM 0 HG LEU A 87 -0.444 -0.785 6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.182 -2.012 9.116 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.843 -0.558 9.067 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.664 -0.553 10.014 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.343 -2.058 7.923 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.895 -0.601 8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.892 -0.638 7.002 1.00 0.00 H new ATOM 1310 N SER A 88 -1.735 4.007 5.822 1.00 0.00 N ATOM 1311 CA SER A 88 -1.814 5.460 5.927 1.00 0.00 C ATOM 1312 C SER A 88 -3.151 5.920 6.512 1.00 0.00 C ATOM 1313 O SER A 88 -3.209 6.912 7.239 1.00 0.00 O ATOM 1314 CB SER A 88 -1.591 6.090 4.548 1.00 0.00 C ATOM 1315 OG SER A 88 -1.570 7.507 4.620 1.00 0.00 O ATOM 0 H SER A 88 -1.559 3.668 4.876 1.00 0.00 H new ATOM 0 HA SER A 88 -1.032 5.790 6.611 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.650 5.732 4.131 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.382 5.771 3.869 1.00 0.00 H new ATOM 0 HG SER A 88 -1.424 7.878 3.725 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.214 5.183 6.221 1.00 0.00 N ATOM 1322 CA ASP A 89 -5.552 5.573 6.654 1.00 0.00 C ATOM 1323 C ASP A 89 -5.931 4.908 7.971 1.00 0.00 C ATOM 1324 O ASP A 89 -7.035 5.105 8.477 1.00 0.00 O ATOM 1325 CB ASP A 89 -6.586 5.222 5.580 1.00 0.00 C ATOM 1326 CG ASP A 89 -6.475 6.106 4.355 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -5.512 5.940 3.577 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -7.361 6.965 4.155 1.00 0.00 O ATOM 0 H ASP A 89 -4.178 4.314 5.688 1.00 0.00 H new ATOM 0 HA ASP A 89 -5.544 6.652 6.808 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.459 4.180 5.285 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.587 5.314 6.001 1.00 0.00 H new ATOM 1333 N ARG A 90 -5.019 4.122 8.529 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.287 3.408 9.775 1.00 0.00 C ATOM 1335 C ARG A 90 -4.121 3.539 10.746 1.00 0.00 C ATOM 1336 O ARG A 90 -4.118 2.909 11.802 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.522 1.918 9.504 1.00 0.00 C ATOM 1338 CG ARG A 90 -6.701 1.614 8.596 1.00 0.00 C ATOM 1339 CD ARG A 90 -6.872 0.113 8.418 1.00 0.00 C ATOM 1340 NE ARG A 90 -8.023 -0.221 7.584 1.00 0.00 N ATOM 1341 CZ ARG A 90 -9.116 -0.831 8.039 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -9.213 -1.156 9.324 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -10.113 -1.109 7.210 1.00 0.00 N ATOM 0 H ARG A 90 -4.089 3.962 8.141 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.179 3.854 10.215 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.620 1.498 9.058 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.674 1.409 10.456 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.611 2.041 9.018 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.549 2.085 7.625 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.969 -0.302 7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.987 -0.355 9.396 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.988 0.027 6.595 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.449 -0.938 9.964 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.051 -1.623 9.670 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.043 -0.856 6.224 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -10.950 -1.576 7.558 1.00 0.00 H new ATOM 1357 N MET A 91 -3.146 4.365 10.393 1.00 0.00 N ATOM 1358 CA MET A 91 -1.864 4.380 11.094 1.00 0.00 C ATOM 1359 C MET A 91 -1.988 4.880 12.526 1.00 0.00 C ATOM 1360 O MET A 91 -2.902 5.639 12.861 1.00 0.00 O ATOM 1361 CB MET A 91 -0.836 5.233 10.345 1.00 0.00 C ATOM 1362 CG MET A 91 -1.112 6.728 10.389 1.00 0.00 C ATOM 1363 SD MET A 91 0.265 7.702 9.746 1.00 0.00 S ATOM 1364 CE MET A 91 1.587 7.171 10.837 1.00 0.00 C ATOM 0 H MET A 91 -3.215 5.034 9.626 1.00 0.00 H new ATOM 0 HA MET A 91 -1.524 3.345 11.127 1.00 0.00 H new ATOM 0 HB2 MET A 91 0.151 5.045 10.767 1.00 0.00 H new ATOM 0 HB3 MET A 91 -0.804 4.912 9.304 1.00 0.00 H new ATOM 0 HG2 MET A 91 -2.009 6.946 9.810 1.00 0.00 H new ATOM 0 HG3 MET A 91 -1.316 7.027 11.417 1.00 0.00 H new ATOM 0 HE1 MET A 91 2.277 7.998 11.002 1.00 0.00 H new ATOM 0 HE2 MET A 91 1.166 6.854 11.791 1.00 0.00 H new ATOM 0 HE3 MET A 91 2.122 6.338 10.382 1.00 0.00 H new ATOM 1374 N THR A 92 -1.062 4.432 13.360 1.00 0.00 N ATOM 1375 CA THR A 92 -0.960 4.891 14.732 1.00 0.00 C ATOM 1376 C THR A 92 -0.003 6.080 14.812 1.00 0.00 C ATOM 1377 O THR A 92 1.215 5.909 14.747 1.00 0.00 O ATOM 1378 CB THR A 92 -0.440 3.763 15.645 1.00 0.00 C ATOM 1379 OG1 THR A 92 -1.118 2.537 15.339 1.00 0.00 O ATOM 1380 CG2 THR A 92 -0.644 4.108 17.111 1.00 0.00 C ATOM 0 H THR A 92 -0.360 3.739 13.102 1.00 0.00 H new ATOM 0 HA THR A 92 -1.953 5.191 15.067 1.00 0.00 H new ATOM 0 HB THR A 92 0.629 3.646 15.465 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.626 2.057 14.640 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.268 3.295 17.732 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.104 5.025 17.348 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.707 4.252 17.306 1.00 0.00 H new ATOM 1388 N PRO A 93 -0.539 7.304 14.927 1.00 0.00 N ATOM 1389 CA PRO A 93 0.273 8.519 14.985 1.00 0.00 C ATOM 1390 C PRO A 93 1.030 8.641 16.303 1.00 0.00 C ATOM 1391 O PRO A 93 0.648 8.033 17.307 1.00 0.00 O ATOM 1392 CB PRO A 93 -0.750 9.657 14.846 1.00 0.00 C ATOM 1393 CG PRO A 93 -2.029 8.999 14.444 1.00 0.00 C ATOM 1394 CD PRO A 93 -1.969 7.610 15.005 1.00 0.00 C ATOM 0 HA PRO A 93 1.039 8.530 14.209 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -0.865 10.197 15.786 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -0.430 10.383 14.098 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -2.888 9.542 14.837 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.134 8.978 13.359 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.338 7.569 16.030 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.567 6.910 14.422 1.00 0.00 H new ATOM 1402 N HIS A 94 2.107 9.421 16.280 1.00 0.00 N ATOM 1403 CA HIS A 94 2.931 9.655 17.464 1.00 0.00 C ATOM 1404 C HIS A 94 2.082 10.049 18.674 1.00 0.00 C ATOM 1405 O HIS A 94 1.275 10.980 18.613 1.00 0.00 O ATOM 1406 CB HIS A 94 4.006 10.720 17.182 1.00 0.00 C ATOM 1407 CG HIS A 94 3.474 12.059 16.757 1.00 0.00 C ATOM 1408 ND1 HIS A 94 3.514 13.174 17.564 1.00 0.00 N ATOM 1409 CD2 HIS A 94 2.912 12.462 15.593 1.00 0.00 C ATOM 1410 CE1 HIS A 94 2.998 14.203 16.916 1.00 0.00 C ATOM 1411 NE2 HIS A 94 2.627 13.798 15.718 1.00 0.00 N ATOM 0 H HIS A 94 2.433 9.907 15.445 1.00 0.00 H new ATOM 0 HA HIS A 94 3.431 8.717 17.705 1.00 0.00 H new ATOM 0 HB2 HIS A 94 4.609 10.853 18.080 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.672 10.346 16.404 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.884 13.201 18.514 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.723 11.846 14.726 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.897 15.206 17.303 1.00 0.00 H new ATOM 1420 N ASN A 95 2.278 9.321 19.769 1.00 0.00 N ATOM 1421 CA ASN A 95 1.511 9.519 20.995 1.00 0.00 C ATOM 1422 C ASN A 95 1.766 10.906 21.577 1.00 0.00 C ATOM 1423 O ASN A 95 0.862 11.543 22.116 1.00 0.00 O ATOM 1424 CB ASN A 95 1.882 8.430 22.010 1.00 0.00 C ATOM 1425 CG ASN A 95 1.132 8.542 23.324 1.00 0.00 C ATOM 1426 OD1 ASN A 95 0.009 9.040 23.381 1.00 0.00 O ATOM 1427 ND2 ASN A 95 1.749 8.057 24.390 1.00 0.00 N ATOM 0 H ASN A 95 2.973 8.577 19.832 1.00 0.00 H new ATOM 0 HA ASN A 95 0.448 9.447 20.764 1.00 0.00 H new ATOM 0 HB2 ASN A 95 1.683 7.453 21.570 1.00 0.00 H new ATOM 0 HB3 ASN A 95 2.953 8.479 22.207 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.293 8.088 25.302 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.681 7.652 24.300 1.00 0.00 H new ATOM 1434 N GLY A 96 2.995 11.376 21.443 1.00 0.00 N ATOM 1435 CA GLY A 96 3.338 12.698 21.919 1.00 0.00 C ATOM 1436 C GLY A 96 4.526 13.267 21.176 1.00 0.00 C ATOM 1437 O GLY A 96 4.767 12.897 20.023 1.00 0.00 O ATOM 0 H GLY A 96 3.764 10.863 21.011 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.482 13.362 21.800 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.562 12.655 22.985 1.00 0.00 H new ATOM 1441 N PRO A 97 5.282 14.175 21.803 1.00 0.00 N ATOM 1442 CA PRO A 97 6.492 14.746 21.214 1.00 0.00 C ATOM 1443 C PRO A 97 7.626 13.730 21.180 1.00 0.00 C ATOM 1444 O PRO A 97 7.844 12.996 22.146 1.00 0.00 O ATOM 1445 CB PRO A 97 6.844 15.914 22.147 1.00 0.00 C ATOM 1446 CG PRO A 97 5.661 16.083 23.040 1.00 0.00 C ATOM 1447 CD PRO A 97 5.020 14.731 23.131 1.00 0.00 C ATOM 0 HA PRO A 97 6.339 15.057 20.181 1.00 0.00 H new ATOM 0 HB2 PRO A 97 7.743 15.698 22.724 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.040 16.824 21.580 1.00 0.00 H new ATOM 0 HG2 PRO A 97 5.963 16.440 24.025 1.00 0.00 H new ATOM 0 HG3 PRO A 97 4.966 16.818 22.634 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.461 14.123 23.921 1.00 0.00 H new ATOM 0 HD3 PRO A 97 3.953 14.800 23.340 1.00 0.00 H new ATOM 1455 N ILE A 98 8.337 13.683 20.066 1.00 0.00 N ATOM 1456 CA ILE A 98 9.408 12.715 19.891 1.00 0.00 C ATOM 1457 C ILE A 98 10.694 13.404 19.456 1.00 0.00 C ATOM 1458 O ILE A 98 10.710 14.130 18.461 1.00 0.00 O ATOM 1459 CB ILE A 98 9.037 11.636 18.848 1.00 0.00 C ATOM 1460 CG1 ILE A 98 7.763 10.901 19.272 1.00 0.00 C ATOM 1461 CG2 ILE A 98 10.187 10.651 18.665 1.00 0.00 C ATOM 1462 CD1 ILE A 98 7.350 9.799 18.323 1.00 0.00 C ATOM 0 H ILE A 98 8.193 14.303 19.269 1.00 0.00 H new ATOM 0 HA ILE A 98 9.559 12.232 20.856 1.00 0.00 H new ATOM 0 HB ILE A 98 8.851 12.127 17.893 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.913 10.476 20.264 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.949 11.621 19.354 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.908 9.899 17.927 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.073 11.185 18.321 1.00 0.00 H new ATOM 0 HG23 ILE A 98 10.404 10.164 19.616 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.440 9.325 18.690 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.167 10.220 17.334 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.146 9.057 18.259 1.00 0.00 H new ATOM 1474 N PRO A 99 11.782 13.200 20.211 1.00 0.00 N ATOM 1475 CA PRO A 99 13.100 13.725 19.855 1.00 0.00 C ATOM 1476 C PRO A 99 13.634 13.094 18.571 1.00 0.00 C ATOM 1477 O PRO A 99 14.020 11.925 18.552 1.00 0.00 O ATOM 1478 CB PRO A 99 13.987 13.341 21.048 1.00 0.00 C ATOM 1479 CG PRO A 99 13.042 12.994 22.148 1.00 0.00 C ATOM 1480 CD PRO A 99 11.811 12.459 21.479 1.00 0.00 C ATOM 0 HA PRO A 99 13.072 14.798 19.666 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.632 12.497 20.803 1.00 0.00 H new ATOM 0 HB3 PRO A 99 14.638 14.166 21.335 1.00 0.00 H new ATOM 0 HG2 PRO A 99 13.477 12.251 22.817 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.808 13.870 22.753 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.874 11.383 21.317 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.916 12.640 22.074 1.00 0.00 H new ATOM 1488 N ARG A 100 13.631 13.865 17.495 1.00 0.00 N ATOM 1489 CA ARG A 100 14.134 13.390 16.218 1.00 0.00 C ATOM 1490 C ARG A 100 15.638 13.624 16.141 1.00 0.00 C ATOM 1491 O ARG A 100 16.096 14.765 16.119 1.00 0.00 O ATOM 1492 CB ARG A 100 13.418 14.108 15.071 1.00 0.00 C ATOM 1493 CG ARG A 100 13.854 13.651 13.688 1.00 0.00 C ATOM 1494 CD ARG A 100 13.494 12.194 13.423 1.00 0.00 C ATOM 1495 NE ARG A 100 12.051 11.948 13.490 1.00 0.00 N ATOM 1496 CZ ARG A 100 11.196 12.189 12.493 1.00 0.00 C ATOM 1497 NH1 ARG A 100 11.617 12.717 11.348 1.00 0.00 N ATOM 1498 NH2 ARG A 100 9.915 11.887 12.645 1.00 0.00 N ATOM 0 H ARG A 100 13.285 14.824 17.482 1.00 0.00 H new ATOM 0 HA ARG A 100 13.939 12.321 16.128 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.344 13.952 15.172 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.594 15.180 15.161 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.384 14.282 12.934 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.931 13.781 13.587 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.862 11.906 12.438 1.00 0.00 H new ATOM 0 HD3 ARG A 100 14.001 11.560 14.151 1.00 0.00 H new ATOM 0 HE ARG A 100 11.674 11.567 14.358 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.604 12.943 11.223 1.00 0.00 H new ATOM 0 HH12 ARG A 100 10.953 12.896 10.594 1.00 0.00 H new ATOM 0 HH21 ARG A 100 9.589 11.474 13.519 1.00 0.00 H new ATOM 0 HH22 ARG A 100 9.255 12.068 11.888 1.00 0.00 H new ATOM 1512 N TYR A 101 16.402 12.544 16.129 1.00 0.00 N ATOM 1513 CA TYR A 101 17.855 12.645 16.124 1.00 0.00 C ATOM 1514 C TYR A 101 18.395 12.796 14.708 1.00 0.00 C ATOM 1515 O TYR A 101 19.150 13.726 14.423 1.00 0.00 O ATOM 1516 CB TYR A 101 18.479 11.424 16.802 1.00 0.00 C ATOM 1517 CG TYR A 101 18.152 11.326 18.275 1.00 0.00 C ATOM 1518 CD1 TYR A 101 18.944 11.959 19.223 1.00 0.00 C ATOM 1519 CD2 TYR A 101 17.050 10.606 18.717 1.00 0.00 C ATOM 1520 CE1 TYR A 101 18.647 11.876 20.569 1.00 0.00 C ATOM 1521 CE2 TYR A 101 16.748 10.519 20.061 1.00 0.00 C ATOM 1522 CZ TYR A 101 17.548 11.155 20.983 1.00 0.00 C ATOM 1523 OH TYR A 101 17.249 11.073 22.323 1.00 0.00 O ATOM 0 H TYR A 101 16.043 11.589 16.123 1.00 0.00 H new ATOM 0 HA TYR A 101 18.128 13.538 16.686 1.00 0.00 H new ATOM 0 HB2 TYR A 101 18.133 10.521 16.299 1.00 0.00 H new ATOM 0 HB3 TYR A 101 19.561 11.462 16.679 1.00 0.00 H new ATOM 0 HD1 TYR A 101 19.806 12.525 18.903 1.00 0.00 H new ATOM 0 HD2 TYR A 101 16.419 10.106 17.997 1.00 0.00 H new ATOM 0 HE1 TYR A 101 19.273 12.374 21.294 1.00 0.00 H new ATOM 0 HE2 TYR A 101 15.887 9.954 20.388 1.00 0.00 H new ATOM 0 HH TYR A 101 16.443 10.529 22.446 1.00 0.00 H new ATOM 1533 N VAL A 102 18.003 11.889 13.824 1.00 0.00 N ATOM 1534 CA VAL A 102 18.494 11.903 12.454 1.00 0.00 C ATOM 1535 C VAL A 102 17.353 11.726 11.453 1.00 0.00 C ATOM 1536 O VAL A 102 16.643 12.718 11.191 1.00 0.00 O ATOM 1537 CB VAL A 102 19.575 10.822 12.227 1.00 0.00 C ATOM 1538 CG1 VAL A 102 20.921 11.295 12.753 1.00 0.00 C ATOM 1539 CG2 VAL A 102 19.186 9.512 12.896 1.00 0.00 C ATOM 1540 OXT VAL A 102 17.177 10.612 10.921 1.00 0.00 O ATOM 0 H VAL A 102 17.347 11.136 14.031 1.00 0.00 H new ATOM 0 HA VAL A 102 18.949 12.880 12.289 1.00 0.00 H new ATOM 0 HB VAL A 102 19.655 10.650 11.154 1.00 0.00 H new ATOM 0 HG11 VAL A 102 21.670 10.521 12.585 1.00 0.00 H new ATOM 0 HG12 VAL A 102 21.216 12.205 12.231 1.00 0.00 H new ATOM 0 HG13 VAL A 102 20.843 11.498 13.821 1.00 0.00 H new ATOM 0 HG21 VAL A 102 19.964 8.769 12.721 1.00 0.00 H new ATOM 0 HG22 VAL A 102 19.071 9.671 13.968 1.00 0.00 H new ATOM 0 HG23 VAL A 102 18.244 9.156 12.479 1.00 0.00 H new