USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 851 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 48 GLN :FLIP amide:sc= -3.76! C(o=-4.9!,f=-3.4!) USER MOD Set 1.2: A 68 SER OG : rot 171:sc= 0.397 USER MOD Set 2.1: A 34 TYR OH : rot 38:sc= -2.94! USER MOD Set 2.2: A 88 ASN : amide:sc= -0.0668 X(o=-3,f=-3.1) USER MOD Single : A 1 ARG N :NH3+ -109:sc= 0.0373 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= -1.03 K(o=-1,f=-1.9) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 6 HIS : no HD1:sc= 0.132 K(o=0.13,f=-1.1) USER MOD Single : A 7 HIS : no HD1:sc= -1.25! C(o=-1.2!,f=-1.2!) USER MOD Single : A 8 HIS : no HD1:sc= -0.0286 X(o=-0.029,f=-0.15) USER MOD Single : A 9 HIS : no HD1:sc= -0.285 X(o=-0.28,f=-0.48) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.367 USER MOD Single : A 20 GLN : amide:sc= -0.0688 K(o=-0.069,f=-0.58) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -167:sc= 1.34 USER MOD Single : A 26 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0891) USER MOD Single : A 27 LYS NZ :NH3+ -126:sc= -2.08! (180deg=-5.34!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 20:sc= 0.598 USER MOD Single : A 49 HIS : no HD1:sc= -4.05! C(o=-4.1!,f=-4.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -2.49! C(o=-2.5!,f=-2.4!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.0329 K(o=0.033,f=-1.8) USER MOD Single : A 81 MET CE :methyl -129:sc= -2.99! (180deg=-6.14!) USER MOD Single : A 82 SER OG : rot 106:sc= -5.74! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -127:sc= -3.54 (180deg=-8.58!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -4.71! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.269) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 150:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 13.238 -3.778 -5.675 1.00 0.00 N ATOM 2 CA ARG A 1 12.096 -4.017 -6.602 1.00 0.00 C ATOM 3 C ARG A 1 11.948 -2.822 -7.546 1.00 0.00 C ATOM 4 O ARG A 1 12.204 -1.692 -7.177 1.00 0.00 O ATOM 5 CB ARG A 1 10.810 -4.192 -5.794 1.00 0.00 C ATOM 6 CG ARG A 1 10.813 -5.564 -5.119 1.00 0.00 C ATOM 7 CD ARG A 1 9.413 -5.876 -4.589 1.00 0.00 C ATOM 8 NE ARG A 1 8.887 -4.694 -3.849 1.00 0.00 N ATOM 9 CZ ARG A 1 7.649 -4.317 -4.018 1.00 0.00 C ATOM 10 NH1 ARG A 1 7.117 -4.340 -5.208 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.944 -3.918 -2.994 1.00 0.00 N ATOM 0 H1 ARG A 1 14.025 -4.410 -5.924 1.00 0.00 H new ATOM 0 H2 ARG A 1 13.549 -2.789 -5.756 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.937 -3.968 -4.698 1.00 0.00 H new ATOM 0 HA ARG A 1 12.283 -4.919 -7.184 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.730 -3.406 -5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.942 -4.098 -6.447 1.00 0.00 H new ATOM 0 HG2 ARG A 1 11.123 -6.330 -5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 1 11.534 -5.577 -4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 1 8.747 -6.127 -5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 1 9.447 -6.745 -3.931 1.00 0.00 H new ATOM 0 HE ARG A 1 9.494 -4.180 -3.211 1.00 0.00 H new ATOM 0 HH11 ARG A 1 7.668 -4.653 -6.007 1.00 0.00 H new ATOM 0 HH12 ARG A 1 6.149 -4.045 -5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 1 7.361 -3.901 -2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 1 5.976 -3.623 -3.125 1.00 0.00 H new ATOM 27 N GLY A 2 11.535 -3.059 -8.760 1.00 0.00 N ATOM 28 CA GLY A 2 11.370 -1.936 -9.725 1.00 0.00 C ATOM 29 C GLY A 2 10.309 -0.967 -9.201 1.00 0.00 C ATOM 30 O GLY A 2 9.284 -1.371 -8.689 1.00 0.00 O ATOM 0 H GLY A 2 11.304 -3.983 -9.126 1.00 0.00 H new ATOM 0 HA2 GLY A 2 12.318 -1.416 -9.860 1.00 0.00 H new ATOM 0 HA3 GLY A 2 11.076 -2.321 -10.701 1.00 0.00 H new ATOM 34 N SER A 3 10.546 0.310 -9.323 1.00 0.00 N ATOM 35 CA SER A 3 9.550 1.304 -8.831 1.00 0.00 C ATOM 36 C SER A 3 8.433 1.461 -9.864 1.00 0.00 C ATOM 37 O SER A 3 8.634 1.262 -11.046 1.00 0.00 O ATOM 38 CB SER A 3 10.238 2.653 -8.615 1.00 0.00 C ATOM 39 OG SER A 3 9.373 3.516 -7.891 1.00 0.00 O ATOM 0 H SER A 3 11.386 0.708 -9.742 1.00 0.00 H new ATOM 0 HA SER A 3 9.127 0.957 -7.888 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.171 2.514 -8.069 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.495 3.100 -9.575 1.00 0.00 H new ATOM 0 HG SER A 3 9.815 4.380 -7.751 1.00 0.00 H new ATOM 45 N HIS A 4 7.255 1.817 -9.428 1.00 0.00 N ATOM 46 CA HIS A 4 6.127 1.987 -10.385 1.00 0.00 C ATOM 47 C HIS A 4 5.651 3.440 -10.360 1.00 0.00 C ATOM 48 O HIS A 4 4.646 3.785 -10.949 1.00 0.00 O ATOM 49 CB HIS A 4 4.973 1.065 -9.982 1.00 0.00 C ATOM 50 CG HIS A 4 4.348 1.571 -8.711 1.00 0.00 C ATOM 51 ND1 HIS A 4 4.998 1.500 -7.489 1.00 0.00 N ATOM 52 CD2 HIS A 4 3.133 2.157 -8.455 1.00 0.00 C ATOM 53 CE1 HIS A 4 4.179 2.030 -6.563 1.00 0.00 C ATOM 54 NE2 HIS A 4 3.029 2.446 -7.098 1.00 0.00 N ATOM 0 H HIS A 4 7.026 1.997 -8.450 1.00 0.00 H new ATOM 0 HA HIS A 4 6.462 1.732 -11.390 1.00 0.00 H new ATOM 0 HB2 HIS A 4 4.228 1.028 -10.777 1.00 0.00 H new ATOM 0 HB3 HIS A 4 5.338 0.048 -9.840 1.00 0.00 H new ATOM 0 HD2 HIS A 4 2.373 2.362 -9.195 1.00 0.00 H new ATOM 0 HE1 HIS A 4 4.422 2.109 -5.514 1.00 0.00 H new ATOM 0 HE2 HIS A 4 2.243 2.882 -6.616 1.00 0.00 H new ATOM 62 N HIS A 5 6.365 4.297 -9.682 1.00 0.00 N ATOM 63 CA HIS A 5 5.954 5.727 -9.619 1.00 0.00 C ATOM 64 C HIS A 5 5.771 6.267 -11.039 1.00 0.00 C ATOM 65 O HIS A 5 4.773 6.884 -11.355 1.00 0.00 O ATOM 66 CB HIS A 5 7.034 6.538 -8.900 1.00 0.00 C ATOM 67 CG HIS A 5 6.681 7.999 -8.949 1.00 0.00 C ATOM 68 ND1 HIS A 5 5.427 8.470 -8.594 1.00 0.00 N ATOM 69 CD2 HIS A 5 7.408 9.106 -9.312 1.00 0.00 C ATOM 70 CE1 HIS A 5 5.436 9.807 -8.748 1.00 0.00 C ATOM 71 NE2 HIS A 5 6.619 10.247 -9.184 1.00 0.00 N ATOM 0 H HIS A 5 7.216 4.068 -9.169 1.00 0.00 H new ATOM 0 HA HIS A 5 5.014 5.811 -9.074 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.122 6.209 -7.865 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.003 6.371 -9.371 1.00 0.00 H new ATOM 0 HD2 HIS A 5 8.435 9.094 -9.646 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.590 10.446 -8.544 1.00 0.00 H new ATOM 0 HE2 HIS A 5 6.887 11.211 -9.381 1.00 0.00 H new ATOM 79 N HIS A 6 6.726 6.041 -11.898 1.00 0.00 N ATOM 80 CA HIS A 6 6.606 6.542 -13.296 1.00 0.00 C ATOM 81 C HIS A 6 5.303 6.027 -13.911 1.00 0.00 C ATOM 82 O HIS A 6 4.717 6.659 -14.767 1.00 0.00 O ATOM 83 CB HIS A 6 7.792 6.041 -14.121 1.00 0.00 C ATOM 84 CG HIS A 6 9.077 6.469 -13.465 1.00 0.00 C ATOM 85 ND1 HIS A 6 9.740 5.670 -12.548 1.00 0.00 N ATOM 86 CD2 HIS A 6 9.832 7.609 -13.584 1.00 0.00 C ATOM 87 CE1 HIS A 6 10.841 6.334 -12.152 1.00 0.00 C ATOM 88 NE2 HIS A 6 10.945 7.522 -12.754 1.00 0.00 N ATOM 0 H HIS A 6 7.585 5.531 -11.692 1.00 0.00 H new ATOM 0 HA HIS A 6 6.601 7.632 -13.293 1.00 0.00 H new ATOM 0 HB2 HIS A 6 7.758 4.955 -14.204 1.00 0.00 H new ATOM 0 HB3 HIS A 6 7.738 6.440 -15.134 1.00 0.00 H new ATOM 0 HD2 HIS A 6 9.598 8.446 -14.225 1.00 0.00 H new ATOM 0 HE1 HIS A 6 11.553 5.953 -11.435 1.00 0.00 H new ATOM 0 HE2 HIS A 6 11.682 8.216 -12.631 1.00 0.00 H new ATOM 96 N HIS A 7 4.844 4.883 -13.480 1.00 0.00 N ATOM 97 CA HIS A 7 3.579 4.329 -14.041 1.00 0.00 C ATOM 98 C HIS A 7 2.506 4.305 -12.951 1.00 0.00 C ATOM 99 O HIS A 7 1.547 3.563 -13.025 1.00 0.00 O ATOM 100 CB HIS A 7 3.826 2.906 -14.546 1.00 0.00 C ATOM 101 CG HIS A 7 2.539 2.331 -15.071 1.00 0.00 C ATOM 102 ND1 HIS A 7 1.830 2.925 -16.103 1.00 0.00 N ATOM 103 CD2 HIS A 7 1.821 1.215 -14.718 1.00 0.00 C ATOM 104 CE1 HIS A 7 0.740 2.172 -16.332 1.00 0.00 C ATOM 105 NE2 HIS A 7 0.685 1.117 -15.515 1.00 0.00 N ATOM 0 H HIS A 7 5.290 4.309 -12.764 1.00 0.00 H new ATOM 0 HA HIS A 7 3.243 4.955 -14.868 1.00 0.00 H new ATOM 0 HB2 HIS A 7 4.581 2.913 -15.332 1.00 0.00 H new ATOM 0 HB3 HIS A 7 4.212 2.284 -13.739 1.00 0.00 H new ATOM 0 HD2 HIS A 7 2.096 0.519 -13.940 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -0.001 2.393 -17.085 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -0.035 0.395 -15.482 1.00 0.00 H new ATOM 113 N HIS A 8 2.660 5.113 -11.937 1.00 0.00 N ATOM 114 CA HIS A 8 1.650 5.136 -10.842 1.00 0.00 C ATOM 115 C HIS A 8 0.683 6.302 -11.063 1.00 0.00 C ATOM 116 O HIS A 8 1.064 7.355 -11.534 1.00 0.00 O ATOM 117 CB HIS A 8 2.360 5.311 -9.497 1.00 0.00 C ATOM 118 CG HIS A 8 1.347 5.292 -8.387 1.00 0.00 C ATOM 119 ND1 HIS A 8 0.524 4.199 -8.154 1.00 0.00 N ATOM 120 CD2 HIS A 8 1.010 6.223 -7.437 1.00 0.00 C ATOM 121 CE1 HIS A 8 -0.258 4.499 -7.102 1.00 0.00 C ATOM 122 NE2 HIS A 8 -0.003 5.721 -6.625 1.00 0.00 N ATOM 0 H HIS A 8 3.442 5.758 -11.820 1.00 0.00 H new ATOM 0 HA HIS A 8 1.094 4.198 -10.841 1.00 0.00 H new ATOM 0 HB2 HIS A 8 3.088 4.513 -9.352 1.00 0.00 H new ATOM 0 HB3 HIS A 8 2.911 6.252 -9.485 1.00 0.00 H new ATOM 0 HD2 HIS A 8 1.463 7.198 -7.335 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -1.002 3.833 -6.692 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -0.453 6.185 -5.836 1.00 0.00 H new ATOM 130 N HIS A 9 -0.565 6.122 -10.728 1.00 0.00 N ATOM 131 CA HIS A 9 -1.554 7.220 -10.920 1.00 0.00 C ATOM 132 C HIS A 9 -2.490 7.281 -9.712 1.00 0.00 C ATOM 133 O HIS A 9 -2.507 6.394 -8.882 1.00 0.00 O ATOM 134 CB HIS A 9 -2.373 6.953 -12.186 1.00 0.00 C ATOM 135 CG HIS A 9 -1.449 6.842 -13.368 1.00 0.00 C ATOM 136 ND1 HIS A 9 -0.717 7.922 -13.838 1.00 0.00 N ATOM 137 CD2 HIS A 9 -1.126 5.788 -14.185 1.00 0.00 C ATOM 138 CE1 HIS A 9 0.002 7.496 -14.892 1.00 0.00 C ATOM 139 NE2 HIS A 9 -0.211 6.203 -15.147 1.00 0.00 N ATOM 0 H HIS A 9 -0.943 5.262 -10.330 1.00 0.00 H new ATOM 0 HA HIS A 9 -1.028 8.169 -11.020 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -2.948 6.034 -12.073 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -3.089 7.759 -12.345 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.522 4.787 -14.095 1.00 0.00 H new ATOM 0 HE1 HIS A 9 0.670 8.124 -15.463 1.00 0.00 H new ATOM 0 HE2 HIS A 9 0.207 5.640 -15.888 1.00 0.00 H new ATOM 147 N GLY A 10 -3.270 8.323 -9.605 1.00 0.00 N ATOM 148 CA GLY A 10 -4.203 8.439 -8.449 1.00 0.00 C ATOM 149 C GLY A 10 -5.254 9.511 -8.747 1.00 0.00 C ATOM 150 O GLY A 10 -5.146 10.250 -9.705 1.00 0.00 O ATOM 0 H GLY A 10 -3.301 9.098 -10.268 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.688 7.481 -8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.650 8.698 -7.546 1.00 0.00 H new ATOM 154 N SER A 11 -6.269 9.602 -7.933 1.00 0.00 N ATOM 155 CA SER A 11 -7.327 10.626 -8.168 1.00 0.00 C ATOM 156 C SER A 11 -7.099 11.814 -7.231 1.00 0.00 C ATOM 157 O SER A 11 -6.563 11.670 -6.151 1.00 0.00 O ATOM 158 CB SER A 11 -8.701 10.013 -7.892 1.00 0.00 C ATOM 159 OG SER A 11 -8.947 8.967 -8.821 1.00 0.00 O ATOM 0 H SER A 11 -6.412 9.011 -7.114 1.00 0.00 H new ATOM 0 HA SER A 11 -7.284 10.965 -9.203 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.741 9.626 -6.874 1.00 0.00 H new ATOM 0 HB3 SER A 11 -9.475 10.776 -7.974 1.00 0.00 H new ATOM 0 HG SER A 11 -9.826 8.572 -8.644 1.00 0.00 H new ATOM 165 N ALA A 12 -7.502 12.989 -7.635 1.00 0.00 N ATOM 166 CA ALA A 12 -7.305 14.183 -6.767 1.00 0.00 C ATOM 167 C ALA A 12 -7.811 15.432 -7.490 1.00 0.00 C ATOM 168 O ALA A 12 -8.803 15.398 -8.190 1.00 0.00 O ATOM 169 CB ALA A 12 -5.814 14.342 -6.454 1.00 0.00 C ATOM 0 H ALA A 12 -7.959 13.172 -8.528 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.861 14.053 -5.839 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.667 15.215 -5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.454 13.452 -5.937 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.259 14.471 -7.383 1.00 0.00 H new ATOM 175 N VAL A 13 -7.130 16.533 -7.333 1.00 0.00 N ATOM 176 CA VAL A 13 -7.562 17.785 -8.015 1.00 0.00 C ATOM 177 C VAL A 13 -6.404 18.310 -8.864 1.00 0.00 C ATOM 178 O VAL A 13 -5.277 18.383 -8.415 1.00 0.00 O ATOM 179 CB VAL A 13 -7.943 18.832 -6.967 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.612 20.024 -7.657 1.00 0.00 C ATOM 181 CG2 VAL A 13 -8.915 18.214 -5.959 1.00 0.00 C ATOM 0 H VAL A 13 -6.291 16.620 -6.760 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.425 17.582 -8.650 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.046 19.170 -6.447 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.884 20.771 -6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.920 20.464 -8.375 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.509 19.687 -8.177 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.187 18.959 -5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.812 17.877 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.439 17.365 -5.468 1.00 0.00 H new ATOM 191 N GLN A 14 -6.665 18.668 -10.092 1.00 0.00 N ATOM 192 CA GLN A 14 -5.566 19.176 -10.960 1.00 0.00 C ATOM 193 C GLN A 14 -5.744 20.677 -11.197 1.00 0.00 C ATOM 194 O GLN A 14 -6.752 21.121 -11.709 1.00 0.00 O ATOM 195 CB GLN A 14 -5.594 18.438 -12.299 1.00 0.00 C ATOM 196 CG GLN A 14 -4.992 17.043 -12.125 1.00 0.00 C ATOM 197 CD GLN A 14 -5.166 16.248 -13.421 1.00 0.00 C ATOM 198 OE1 GLN A 14 -4.241 16.123 -14.199 1.00 0.00 O ATOM 199 NE2 GLN A 14 -6.321 15.703 -13.687 1.00 0.00 N ATOM 0 H GLN A 14 -7.586 18.631 -10.529 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.609 19.003 -10.468 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.619 18.361 -12.662 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.032 18.998 -13.047 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.935 17.120 -11.872 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.480 16.525 -11.299 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.097 15.808 -13.034 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.448 15.172 -14.548 1.00 0.00 H new ATOM 208 N VAL A 15 -4.769 21.461 -10.826 1.00 0.00 N ATOM 209 CA VAL A 15 -4.874 22.933 -11.025 1.00 0.00 C ATOM 210 C VAL A 15 -3.620 23.441 -11.740 1.00 0.00 C ATOM 211 O VAL A 15 -2.519 23.003 -11.469 1.00 0.00 O ATOM 212 CB VAL A 15 -4.993 23.613 -9.662 1.00 0.00 C ATOM 213 CG1 VAL A 15 -3.677 23.461 -8.903 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.306 25.098 -9.854 1.00 0.00 C ATOM 0 H VAL A 15 -3.902 21.144 -10.392 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.752 23.162 -11.629 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.797 23.147 -9.093 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.760 23.946 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.458 22.402 -8.764 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.873 23.926 -9.473 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.390 25.581 -8.880 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.505 25.568 -10.424 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.246 25.205 -10.395 1.00 0.00 H new ATOM 224 N THR A 16 -3.773 24.361 -12.655 1.00 0.00 N ATOM 225 CA THR A 16 -2.584 24.890 -13.384 1.00 0.00 C ATOM 226 C THR A 16 -2.752 26.394 -13.618 1.00 0.00 C ATOM 227 O THR A 16 -3.846 26.882 -13.818 1.00 0.00 O ATOM 228 CB THR A 16 -2.456 24.180 -14.734 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.496 24.615 -15.598 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.558 22.668 -14.529 1.00 0.00 C ATOM 0 H THR A 16 -4.667 24.768 -12.928 1.00 0.00 H new ATOM 0 HA THR A 16 -1.688 24.712 -12.790 1.00 0.00 H new ATOM 0 HB THR A 16 -1.491 24.419 -15.180 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.414 24.162 -16.463 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.467 22.163 -15.491 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.758 22.336 -13.868 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.522 22.426 -14.082 1.00 0.00 H new ATOM 238 N PHE A 17 -1.675 27.131 -13.594 1.00 0.00 N ATOM 239 CA PHE A 17 -1.774 28.602 -13.817 1.00 0.00 C ATOM 240 C PHE A 17 -0.977 28.986 -15.064 1.00 0.00 C ATOM 241 O PHE A 17 0.071 28.436 -15.336 1.00 0.00 O ATOM 242 CB PHE A 17 -1.194 29.343 -12.611 1.00 0.00 C ATOM 243 CG PHE A 17 -1.927 28.936 -11.357 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.830 27.622 -10.883 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.699 29.875 -10.666 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.506 27.250 -9.715 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.375 29.504 -9.499 1.00 0.00 C ATOM 248 CZ PHE A 17 -3.278 28.191 -9.022 1.00 0.00 C ATOM 0 H PHE A 17 -0.732 26.779 -13.430 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.821 28.874 -13.950 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.132 29.118 -12.511 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.279 30.420 -12.759 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.235 26.897 -11.418 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.773 30.888 -11.034 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.432 26.237 -9.348 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.971 30.230 -8.966 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.798 27.904 -8.120 1.00 0.00 H new ATOM 258 N THR A 18 -1.456 29.933 -15.821 1.00 0.00 N ATOM 259 CA THR A 18 -0.711 30.356 -17.041 1.00 0.00 C ATOM 260 C THR A 18 -0.778 31.878 -17.170 1.00 0.00 C ATOM 261 O THR A 18 -1.838 32.469 -17.113 1.00 0.00 O ATOM 262 CB THR A 18 -1.334 29.707 -18.280 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.338 28.295 -18.120 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.516 30.079 -19.519 1.00 0.00 C ATOM 0 H THR A 18 -2.329 30.432 -15.649 1.00 0.00 H new ATOM 0 HA THR A 18 0.329 30.041 -16.959 1.00 0.00 H new ATOM 0 HB THR A 18 -2.357 30.063 -18.402 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.738 27.877 -18.911 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.960 29.617 -20.401 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.512 31.162 -19.641 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.507 29.723 -19.400 1.00 0.00 H new ATOM 272 N VAL A 19 0.345 32.518 -17.346 1.00 0.00 N ATOM 273 CA VAL A 19 0.341 34.002 -17.479 1.00 0.00 C ATOM 274 C VAL A 19 -0.156 34.381 -18.874 1.00 0.00 C ATOM 275 O VAL A 19 0.278 33.830 -19.867 1.00 0.00 O ATOM 276 CB VAL A 19 1.760 34.534 -17.280 1.00 0.00 C ATOM 277 CG1 VAL A 19 1.740 36.064 -17.311 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.300 34.058 -15.929 1.00 0.00 C ATOM 0 H VAL A 19 1.264 32.078 -17.403 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.317 34.436 -16.726 1.00 0.00 H new ATOM 0 HB VAL A 19 2.402 34.162 -18.079 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.752 36.444 -17.169 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.356 36.403 -18.273 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.098 36.436 -16.513 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.312 34.438 -15.787 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.658 34.429 -15.130 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.315 32.968 -15.907 1.00 0.00 H new ATOM 288 N GLN A 20 -1.064 35.313 -18.963 1.00 0.00 N ATOM 289 CA GLN A 20 -1.584 35.716 -20.299 1.00 0.00 C ATOM 290 C GLN A 20 -0.994 37.070 -20.696 1.00 0.00 C ATOM 291 O GLN A 20 -0.532 37.827 -19.866 1.00 0.00 O ATOM 292 CB GLN A 20 -3.109 35.822 -20.241 1.00 0.00 C ATOM 293 CG GLN A 20 -3.689 34.534 -19.650 1.00 0.00 C ATOM 294 CD GLN A 20 -3.433 33.372 -20.612 1.00 0.00 C ATOM 295 OE1 GLN A 20 -3.618 33.503 -21.806 1.00 0.00 O ATOM 296 NE2 GLN A 20 -3.014 32.230 -20.139 1.00 0.00 N ATOM 0 H GLN A 20 -1.468 35.812 -18.170 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.297 34.968 -21.038 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.402 36.678 -19.633 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.511 35.989 -21.240 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.232 34.327 -18.682 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.759 34.649 -19.479 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.858 32.119 -19.137 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.842 31.448 -20.771 1.00 0.00 H new ATOM 305 N LYS A 21 -1.010 37.379 -21.963 1.00 0.00 N ATOM 306 CA LYS A 21 -0.455 38.681 -22.429 1.00 0.00 C ATOM 307 C LYS A 21 -1.118 39.830 -21.665 1.00 0.00 C ATOM 308 O LYS A 21 -2.304 40.064 -21.789 1.00 0.00 O ATOM 309 CB LYS A 21 -0.743 38.839 -23.923 1.00 0.00 C ATOM 310 CG LYS A 21 0.158 37.889 -24.716 1.00 0.00 C ATOM 311 CD LYS A 21 -0.025 38.144 -26.214 1.00 0.00 C ATOM 312 CE LYS A 21 0.577 36.981 -27.005 1.00 0.00 C ATOM 313 NZ LYS A 21 -0.517 36.190 -27.637 1.00 0.00 N ATOM 0 H LYS A 21 -1.386 36.782 -22.700 1.00 0.00 H new ATOM 0 HA LYS A 21 0.620 38.703 -22.251 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.791 38.620 -24.128 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.566 39.869 -24.232 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.200 38.040 -24.435 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.089 36.854 -24.480 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.084 38.249 -26.450 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.458 39.079 -26.497 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.255 37.360 -27.770 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.166 36.344 -26.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.108 35.399 -28.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.147 35.817 -26.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.061 36.801 -28.280 1.00 0.00 H new ATOM 327 N GLY A 22 -0.367 40.556 -20.882 1.00 0.00 N ATOM 328 CA GLY A 22 -0.971 41.692 -20.129 1.00 0.00 C ATOM 329 C GLY A 22 -0.401 41.750 -18.708 1.00 0.00 C ATOM 330 O GLY A 22 -0.756 42.612 -17.928 1.00 0.00 O ATOM 0 H GLY A 22 0.632 40.413 -20.732 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.769 42.629 -20.648 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.054 41.576 -20.089 1.00 0.00 H new ATOM 334 N SER A 23 0.474 40.848 -18.359 1.00 0.00 N ATOM 335 CA SER A 23 1.048 40.872 -16.983 1.00 0.00 C ATOM 336 C SER A 23 1.911 42.125 -16.814 1.00 0.00 C ATOM 337 O SER A 23 2.599 42.544 -17.724 1.00 0.00 O ATOM 338 CB SER A 23 1.905 39.625 -16.760 1.00 0.00 C ATOM 339 OG SER A 23 2.388 39.614 -15.424 1.00 0.00 O ATOM 0 H SER A 23 0.815 40.100 -18.962 1.00 0.00 H new ATOM 0 HA SER A 23 0.239 40.886 -16.253 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.317 38.728 -16.953 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.740 39.615 -17.460 1.00 0.00 H new ATOM 0 HG SER A 23 3.096 38.942 -15.338 1.00 0.00 H new ATOM 345 N ASP A 24 1.876 42.731 -15.658 1.00 0.00 N ATOM 346 CA ASP A 24 2.691 43.959 -15.431 1.00 0.00 C ATOM 347 C ASP A 24 3.399 43.854 -14.076 1.00 0.00 C ATOM 348 O ASP A 24 3.181 42.926 -13.325 1.00 0.00 O ATOM 349 CB ASP A 24 1.774 45.186 -15.443 1.00 0.00 C ATOM 350 CG ASP A 24 0.558 44.909 -16.329 1.00 0.00 C ATOM 351 OD1 ASP A 24 0.741 44.334 -17.389 1.00 0.00 O ATOM 352 OD2 ASP A 24 -0.536 45.278 -15.934 1.00 0.00 O ATOM 0 H ASP A 24 1.317 42.428 -14.860 1.00 0.00 H new ATOM 0 HA ASP A 24 3.436 44.058 -16.221 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.452 45.422 -14.429 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.317 46.055 -15.815 1.00 0.00 H new ATOM 357 N PRO A 25 4.270 44.829 -13.760 1.00 0.00 N ATOM 358 CA PRO A 25 5.017 44.844 -12.495 1.00 0.00 C ATOM 359 C PRO A 25 4.109 45.138 -11.296 1.00 0.00 C ATOM 360 O PRO A 25 4.367 44.703 -10.191 1.00 0.00 O ATOM 361 CB PRO A 25 6.020 45.981 -12.684 1.00 0.00 C ATOM 362 CG PRO A 25 5.389 46.877 -13.696 1.00 0.00 C ATOM 363 CD PRO A 25 4.594 45.989 -14.610 1.00 0.00 C ATOM 0 HA PRO A 25 5.480 43.880 -12.284 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.203 46.508 -11.747 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.983 45.606 -13.032 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.746 47.614 -13.215 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.147 47.429 -14.253 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.694 46.487 -14.971 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.170 45.696 -15.488 1.00 0.00 H new ATOM 371 N LYS A 26 3.046 45.865 -11.505 1.00 0.00 N ATOM 372 CA LYS A 26 2.125 46.176 -10.376 1.00 0.00 C ATOM 373 C LYS A 26 0.773 45.507 -10.633 1.00 0.00 C ATOM 374 O LYS A 26 -0.195 45.748 -9.943 1.00 0.00 O ATOM 375 CB LYS A 26 1.936 47.691 -10.271 1.00 0.00 C ATOM 376 CG LYS A 26 3.305 48.368 -10.189 1.00 0.00 C ATOM 377 CD LYS A 26 3.118 49.879 -10.030 1.00 0.00 C ATOM 378 CE LYS A 26 4.487 50.562 -10.009 1.00 0.00 C ATOM 379 NZ LYS A 26 5.156 50.294 -8.706 1.00 0.00 N ATOM 0 H LYS A 26 2.776 46.256 -12.407 1.00 0.00 H new ATOM 0 HA LYS A 26 2.548 45.802 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.386 48.061 -11.136 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.344 47.935 -9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.870 47.970 -9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.883 48.155 -11.089 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.517 50.270 -10.851 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.578 50.095 -9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.103 50.192 -10.829 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.372 51.636 -10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.994 50.903 -8.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.495 50.495 -7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.446 49.296 -8.664 1.00 0.00 H new ATOM 393 N LYS A 27 0.708 44.666 -11.628 1.00 0.00 N ATOM 394 CA LYS A 27 -0.569 43.972 -11.948 1.00 0.00 C ATOM 395 C LYS A 27 -0.258 42.543 -12.395 1.00 0.00 C ATOM 396 O LYS A 27 0.622 42.318 -13.202 1.00 0.00 O ATOM 397 CB LYS A 27 -1.280 44.715 -13.080 1.00 0.00 C ATOM 398 CG LYS A 27 -1.768 46.072 -12.569 1.00 0.00 C ATOM 399 CD LYS A 27 -2.598 46.758 -13.656 1.00 0.00 C ATOM 400 CE LYS A 27 -2.864 48.210 -13.253 1.00 0.00 C ATOM 401 NZ LYS A 27 -4.301 48.533 -13.483 1.00 0.00 N ATOM 0 H LYS A 27 1.491 44.429 -12.237 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.211 43.953 -11.068 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.601 44.854 -13.922 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.122 44.126 -13.443 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.367 45.939 -11.668 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.918 46.697 -12.297 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.069 46.725 -14.608 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.541 46.230 -13.797 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.610 48.360 -12.204 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.232 48.882 -13.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.375 49.380 -14.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.765 47.732 -13.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.767 48.713 -12.571 1.00 0.00 H new ATOM 415 N LEU A 28 -0.964 41.573 -11.883 1.00 0.00 N ATOM 416 CA LEU A 28 -0.685 40.170 -12.297 1.00 0.00 C ATOM 417 C LEU A 28 -1.949 39.552 -12.898 1.00 0.00 C ATOM 418 O LEU A 28 -2.987 39.471 -12.272 1.00 0.00 O ATOM 419 CB LEU A 28 -0.221 39.353 -11.082 1.00 0.00 C ATOM 420 CG LEU A 28 0.534 38.089 -11.524 1.00 0.00 C ATOM 421 CD1 LEU A 28 0.031 37.614 -12.889 1.00 0.00 C ATOM 422 CD2 LEU A 28 2.029 38.393 -11.612 1.00 0.00 C ATOM 0 H LEU A 28 -1.715 41.689 -11.202 1.00 0.00 H new ATOM 0 HA LEU A 28 0.105 40.163 -13.048 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.425 39.965 -10.453 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.083 39.073 -10.477 1.00 0.00 H new ATOM 0 HG LEU A 28 0.358 37.302 -10.791 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.576 36.718 -13.186 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.033 37.387 -12.826 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.191 38.398 -13.629 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.565 37.497 -11.925 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.196 39.188 -12.338 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.394 38.711 -10.635 1.00 0.00 H new ATOM 434 N VAL A 29 -1.842 39.099 -14.118 1.00 0.00 N ATOM 435 CA VAL A 29 -2.995 38.457 -14.805 1.00 0.00 C ATOM 436 C VAL A 29 -2.592 37.031 -15.170 1.00 0.00 C ATOM 437 O VAL A 29 -1.582 36.812 -15.811 1.00 0.00 O ATOM 438 CB VAL A 29 -3.329 39.237 -16.080 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.623 38.692 -16.685 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.506 40.718 -15.740 1.00 0.00 C ATOM 0 H VAL A 29 -0.989 39.149 -14.675 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.870 38.450 -14.155 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.517 39.125 -16.799 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.862 39.246 -17.593 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.495 37.637 -16.927 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.436 38.804 -15.967 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.744 41.274 -16.647 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.318 40.832 -15.021 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.583 41.105 -15.309 1.00 0.00 H new ATOM 450 N LEU A 30 -3.354 36.053 -14.767 1.00 0.00 N ATOM 451 CA LEU A 30 -2.979 34.650 -15.097 1.00 0.00 C ATOM 452 C LEU A 30 -4.230 33.815 -15.351 1.00 0.00 C ATOM 453 O LEU A 30 -5.249 33.990 -14.712 1.00 0.00 O ATOM 454 CB LEU A 30 -2.214 34.026 -13.922 1.00 0.00 C ATOM 455 CG LEU A 30 -1.054 34.930 -13.501 1.00 0.00 C ATOM 456 CD1 LEU A 30 -1.172 35.241 -12.007 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.269 34.211 -13.767 1.00 0.00 C ATOM 0 H LEU A 30 -4.213 36.162 -14.228 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.355 34.663 -15.990 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.889 33.874 -13.080 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.834 33.045 -14.207 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.086 35.858 -14.071 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.347 35.885 -11.703 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.118 35.748 -11.814 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.136 34.312 -11.438 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.098 34.852 -13.468 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.302 33.285 -13.193 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.352 33.983 -14.830 1.00 0.00 H new ATOM 469 N ASP A 31 -4.145 32.877 -16.252 1.00 0.00 N ATOM 470 CA ASP A 31 -5.312 31.996 -16.517 1.00 0.00 C ATOM 471 C ASP A 31 -5.242 30.846 -15.516 1.00 0.00 C ATOM 472 O ASP A 31 -4.178 30.327 -15.239 1.00 0.00 O ATOM 473 CB ASP A 31 -5.240 31.450 -17.945 1.00 0.00 C ATOM 474 CG ASP A 31 -6.429 30.520 -18.195 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.469 31.015 -18.598 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.280 29.329 -17.979 1.00 0.00 O ATOM 0 H ASP A 31 -3.317 32.684 -16.816 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.247 32.547 -16.412 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.250 32.272 -18.661 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.305 30.910 -18.093 1.00 0.00 H new ATOM 481 N ILE A 32 -6.344 30.447 -14.951 1.00 0.00 N ATOM 482 CA ILE A 32 -6.275 29.342 -13.958 1.00 0.00 C ATOM 483 C ILE A 32 -7.124 28.158 -14.404 1.00 0.00 C ATOM 484 O ILE A 32 -8.286 28.290 -14.733 1.00 0.00 O ATOM 485 CB ILE A 32 -6.773 29.839 -12.602 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.746 30.804 -12.006 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.967 28.644 -11.664 1.00 0.00 C ATOM 488 CD1 ILE A 32 -6.383 31.582 -10.855 1.00 0.00 C ATOM 0 H ILE A 32 -7.273 30.829 -15.128 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.238 29.017 -13.877 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.724 30.358 -12.727 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.877 30.251 -11.648 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.392 31.493 -12.772 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.322 28.996 -10.695 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.699 27.960 -12.093 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.017 28.125 -11.535 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.651 32.269 -10.431 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.238 32.147 -11.227 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.715 30.886 -10.085 1.00 0.00 H new ATOM 500 N LYS A 33 -6.548 26.989 -14.378 1.00 0.00 N ATOM 501 CA LYS A 33 -7.305 25.769 -14.754 1.00 0.00 C ATOM 502 C LYS A 33 -7.509 24.946 -13.484 1.00 0.00 C ATOM 503 O LYS A 33 -6.565 24.557 -12.828 1.00 0.00 O ATOM 504 CB LYS A 33 -6.518 24.959 -15.787 1.00 0.00 C ATOM 505 CG LYS A 33 -7.339 23.743 -16.219 1.00 0.00 C ATOM 506 CD LYS A 33 -8.531 24.204 -17.060 1.00 0.00 C ATOM 507 CE LYS A 33 -9.476 23.025 -17.296 1.00 0.00 C ATOM 508 NZ LYS A 33 -10.879 23.520 -17.383 1.00 0.00 N ATOM 0 H LYS A 33 -5.577 26.828 -14.110 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.265 26.034 -15.196 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.287 25.581 -16.652 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.567 24.636 -15.363 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.717 23.057 -16.795 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -7.688 23.197 -15.343 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.059 25.010 -16.551 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.184 24.602 -18.014 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.205 22.507 -18.216 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.384 22.303 -16.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.521 22.718 -17.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.135 23.996 -16.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.962 24.193 -18.172 1.00 0.00 H new ATOM 522 N TYR A 34 -8.734 24.700 -13.121 1.00 0.00 N ATOM 523 CA TYR A 34 -8.996 23.925 -11.877 1.00 0.00 C ATOM 524 C TYR A 34 -9.814 22.677 -12.204 1.00 0.00 C ATOM 525 O TYR A 34 -10.886 22.754 -12.770 1.00 0.00 O ATOM 526 CB TYR A 34 -9.769 24.807 -10.897 1.00 0.00 C ATOM 527 CG TYR A 34 -9.945 24.074 -9.588 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.874 23.978 -8.692 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.179 23.493 -9.270 1.00 0.00 C ATOM 530 CE1 TYR A 34 -9.037 23.301 -7.477 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.340 22.815 -8.056 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.269 22.720 -7.159 1.00 0.00 C ATOM 533 OH TYR A 34 -10.429 22.052 -5.962 1.00 0.00 O ATOM 0 H TYR A 34 -9.565 25.001 -13.630 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.050 23.618 -11.431 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.233 25.742 -10.733 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.742 25.066 -11.314 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.922 24.426 -8.938 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.006 23.568 -9.961 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.211 23.227 -6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.291 22.365 -7.811 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.940 22.524 -5.256 1.00 0.00 H new ATOM 543 N THR A 35 -9.315 21.524 -11.850 1.00 0.00 N ATOM 544 CA THR A 35 -10.067 20.270 -12.139 1.00 0.00 C ATOM 545 C THR A 35 -10.262 19.482 -10.843 1.00 0.00 C ATOM 546 O THR A 35 -9.317 19.014 -10.239 1.00 0.00 O ATOM 547 CB THR A 35 -9.287 19.422 -13.145 1.00 0.00 C ATOM 548 OG1 THR A 35 -9.026 20.192 -14.312 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.108 18.188 -13.520 1.00 0.00 C ATOM 0 H THR A 35 -8.422 21.396 -11.375 1.00 0.00 H new ATOM 0 HA THR A 35 -11.041 20.521 -12.560 1.00 0.00 H new ATOM 0 HB THR A 35 -8.344 19.107 -12.699 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.525 19.650 -14.956 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.551 17.585 -14.237 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.307 17.598 -12.626 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.052 18.501 -13.965 1.00 0.00 H new ATOM 557 N ARG A 36 -11.485 19.329 -10.417 1.00 0.00 N ATOM 558 CA ARG A 36 -11.753 18.570 -9.162 1.00 0.00 C ATOM 559 C ARG A 36 -12.999 17.702 -9.355 1.00 0.00 C ATOM 560 O ARG A 36 -13.998 18.142 -9.888 1.00 0.00 O ATOM 561 CB ARG A 36 -11.988 19.549 -8.010 1.00 0.00 C ATOM 562 CG ARG A 36 -12.033 18.776 -6.690 1.00 0.00 C ATOM 563 CD ARG A 36 -12.035 19.761 -5.519 1.00 0.00 C ATOM 564 NE ARG A 36 -12.487 19.061 -4.283 1.00 0.00 N ATOM 565 CZ ARG A 36 -11.761 18.103 -3.774 1.00 0.00 C ATOM 566 NH1 ARG A 36 -10.702 18.392 -3.066 1.00 0.00 N ATOM 567 NH2 ARG A 36 -12.092 16.857 -3.972 1.00 0.00 N ATOM 0 H ARG A 36 -12.313 19.698 -10.885 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.897 17.937 -8.928 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.192 20.293 -7.982 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.923 20.088 -8.161 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.925 18.150 -6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.173 18.110 -6.617 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.036 20.171 -5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.695 20.600 -5.737 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.363 19.330 -3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.442 19.366 -2.911 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -10.135 17.644 -2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.919 16.631 -4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.524 16.109 -3.574 1.00 0.00 H new ATOM 581 N PRO A 37 -12.929 16.439 -8.913 1.00 0.00 N ATOM 582 CA PRO A 37 -14.044 15.491 -9.035 1.00 0.00 C ATOM 583 C PRO A 37 -15.204 15.837 -8.093 1.00 0.00 C ATOM 584 O PRO A 37 -15.116 15.659 -6.894 1.00 0.00 O ATOM 585 CB PRO A 37 -13.425 14.156 -8.624 1.00 0.00 C ATOM 586 CG PRO A 37 -12.278 14.526 -7.743 1.00 0.00 C ATOM 587 CD PRO A 37 -11.754 15.836 -8.261 1.00 0.00 C ATOM 0 HA PRO A 37 -14.468 15.494 -10.039 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.145 13.532 -8.095 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.090 13.590 -9.493 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.599 14.618 -6.705 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.504 13.759 -7.770 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.375 16.464 -7.455 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.934 15.691 -8.965 1.00 0.00 H new ATOM 595 N GLY A 38 -16.293 16.320 -8.628 1.00 0.00 N ATOM 596 CA GLY A 38 -17.459 16.665 -7.767 1.00 0.00 C ATOM 597 C GLY A 38 -17.318 18.097 -7.244 1.00 0.00 C ATOM 598 O GLY A 38 -18.176 18.597 -6.543 1.00 0.00 O ATOM 0 H GLY A 38 -16.425 16.490 -9.625 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.384 16.566 -8.336 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.523 15.968 -6.931 1.00 0.00 H new ATOM 602 N ASP A 39 -16.245 18.761 -7.571 1.00 0.00 N ATOM 603 CA ASP A 39 -16.061 20.157 -7.083 1.00 0.00 C ATOM 604 C ASP A 39 -15.590 21.047 -8.235 1.00 0.00 C ATOM 605 O ASP A 39 -15.310 20.579 -9.320 1.00 0.00 O ATOM 606 CB ASP A 39 -15.014 20.171 -5.969 1.00 0.00 C ATOM 607 CG ASP A 39 -15.673 19.779 -4.645 1.00 0.00 C ATOM 608 OD1 ASP A 39 -16.889 19.831 -4.574 1.00 0.00 O ATOM 609 OD2 ASP A 39 -14.949 19.433 -3.726 1.00 0.00 O ATOM 0 H ASP A 39 -15.489 18.399 -8.153 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.009 20.534 -6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.207 19.478 -6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.569 21.162 -5.886 1.00 0.00 H new ATOM 614 N SER A 40 -15.497 22.329 -8.006 1.00 0.00 N ATOM 615 CA SER A 40 -15.042 23.248 -9.087 1.00 0.00 C ATOM 616 C SER A 40 -14.396 24.489 -8.465 1.00 0.00 C ATOM 617 O SER A 40 -14.605 24.795 -7.309 1.00 0.00 O ATOM 618 CB SER A 40 -16.242 23.666 -9.939 1.00 0.00 C ATOM 619 OG SER A 40 -16.538 22.640 -10.875 1.00 0.00 O ATOM 0 H SER A 40 -15.716 22.779 -7.117 1.00 0.00 H new ATOM 0 HA SER A 40 -14.312 22.738 -9.715 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.107 23.852 -9.302 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.024 24.598 -10.461 1.00 0.00 H new ATOM 0 HG SER A 40 -16.138 21.797 -10.574 1.00 0.00 H new ATOM 625 N LEU A 41 -13.613 25.206 -9.224 1.00 0.00 N ATOM 626 CA LEU A 41 -12.957 26.429 -8.676 1.00 0.00 C ATOM 627 C LEU A 41 -14.021 27.497 -8.415 1.00 0.00 C ATOM 628 O LEU A 41 -14.763 27.875 -9.299 1.00 0.00 O ATOM 629 CB LEU A 41 -11.932 26.949 -9.688 1.00 0.00 C ATOM 630 CG LEU A 41 -11.637 28.425 -9.415 1.00 0.00 C ATOM 631 CD1 LEU A 41 -11.175 28.595 -7.967 1.00 0.00 C ATOM 632 CD2 LEU A 41 -10.535 28.905 -10.363 1.00 0.00 C ATOM 0 H LEU A 41 -13.399 24.999 -10.199 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.449 26.191 -7.741 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.013 26.367 -9.621 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.314 26.826 -10.702 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.540 29.013 -9.577 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.965 29.647 -7.773 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.959 28.251 -7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.271 28.008 -7.802 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.322 29.957 -10.171 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.632 28.317 -10.199 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.865 28.784 -11.395 1.00 0.00 H new ATOM 644 N ALA A 42 -14.111 27.978 -7.203 1.00 0.00 N ATOM 645 CA ALA A 42 -15.138 29.010 -6.887 1.00 0.00 C ATOM 646 C ALA A 42 -14.462 30.328 -6.500 1.00 0.00 C ATOM 647 O ALA A 42 -14.859 31.389 -6.939 1.00 0.00 O ATOM 648 CB ALA A 42 -15.995 28.525 -5.717 1.00 0.00 C ATOM 0 H ALA A 42 -13.518 27.701 -6.421 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.761 29.173 -7.767 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.748 29.277 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.487 27.591 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.361 28.361 -4.845 1.00 0.00 H new ATOM 654 N GLU A 43 -13.453 30.274 -5.674 1.00 0.00 N ATOM 655 CA GLU A 43 -12.771 31.534 -5.260 1.00 0.00 C ATOM 656 C GLU A 43 -11.253 31.356 -5.315 1.00 0.00 C ATOM 657 O GLU A 43 -10.727 30.299 -5.027 1.00 0.00 O ATOM 658 CB GLU A 43 -13.188 31.891 -3.832 1.00 0.00 C ATOM 659 CG GLU A 43 -14.689 32.183 -3.798 1.00 0.00 C ATOM 660 CD GLU A 43 -15.033 32.935 -2.511 1.00 0.00 C ATOM 661 OE1 GLU A 43 -14.213 32.930 -1.608 1.00 0.00 O ATOM 662 OE2 GLU A 43 -16.112 33.502 -2.449 1.00 0.00 O ATOM 0 H GLU A 43 -13.073 29.418 -5.270 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.060 32.334 -5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.951 31.069 -3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.629 32.760 -3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.975 32.777 -4.666 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.253 31.252 -3.849 1.00 0.00 H new ATOM 669 N VAL A 44 -10.547 32.389 -5.686 1.00 0.00 N ATOM 670 CA VAL A 44 -9.062 32.298 -5.766 1.00 0.00 C ATOM 671 C VAL A 44 -8.446 33.580 -5.200 1.00 0.00 C ATOM 672 O VAL A 44 -8.892 34.671 -5.496 1.00 0.00 O ATOM 673 CB VAL A 44 -8.646 32.147 -7.231 1.00 0.00 C ATOM 674 CG1 VAL A 44 -7.165 31.771 -7.304 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.485 31.048 -7.886 1.00 0.00 C ATOM 0 H VAL A 44 -10.938 33.297 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.715 31.438 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.807 33.089 -7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.868 31.663 -8.347 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.568 32.553 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.003 30.828 -6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.190 30.939 -8.930 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.323 30.106 -7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.540 31.316 -7.833 1.00 0.00 H new ATOM 685 N GLU A 45 -7.422 33.470 -4.398 1.00 0.00 N ATOM 686 CA GLU A 45 -6.795 34.701 -3.839 1.00 0.00 C ATOM 687 C GLU A 45 -5.284 34.660 -4.079 1.00 0.00 C ATOM 688 O GLU A 45 -4.681 33.608 -4.144 1.00 0.00 O ATOM 689 CB GLU A 45 -7.082 34.798 -2.338 1.00 0.00 C ATOM 690 CG GLU A 45 -8.513 35.293 -2.124 1.00 0.00 C ATOM 691 CD GLU A 45 -8.774 35.465 -0.627 1.00 0.00 C ATOM 692 OE1 GLU A 45 -7.855 35.238 0.144 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.886 35.820 -0.277 1.00 0.00 O ATOM 0 H GLU A 45 -6.996 32.590 -4.108 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.215 35.576 -4.336 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.949 33.824 -1.868 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.375 35.480 -1.865 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.663 36.241 -2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.222 34.583 -2.549 1.00 0.00 H new ATOM 700 N LEU A 46 -4.674 35.805 -4.225 1.00 0.00 N ATOM 701 CA LEU A 46 -3.207 35.847 -4.476 1.00 0.00 C ATOM 702 C LEU A 46 -2.509 36.608 -3.349 1.00 0.00 C ATOM 703 O LEU A 46 -3.019 37.585 -2.836 1.00 0.00 O ATOM 704 CB LEU A 46 -2.949 36.568 -5.803 1.00 0.00 C ATOM 705 CG LEU A 46 -1.449 36.563 -6.111 1.00 0.00 C ATOM 706 CD1 LEU A 46 -1.233 36.914 -7.584 1.00 0.00 C ATOM 707 CD2 LEU A 46 -0.739 37.598 -5.236 1.00 0.00 C ATOM 0 H LEU A 46 -5.131 36.716 -4.181 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.817 34.830 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.497 36.077 -6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.315 37.593 -5.748 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.042 35.573 -5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.166 36.911 -7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.736 36.178 -8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.643 37.904 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.328 37.591 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.146 38.588 -5.441 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.892 37.353 -4.185 1.00 0.00 H new ATOM 719 N ARG A 47 -1.338 36.176 -2.969 1.00 0.00 N ATOM 720 CA ARG A 47 -0.597 36.881 -1.887 1.00 0.00 C ATOM 721 C ARG A 47 0.842 37.124 -2.351 1.00 0.00 C ATOM 722 O ARG A 47 1.533 36.214 -2.766 1.00 0.00 O ATOM 723 CB ARG A 47 -0.600 36.027 -0.619 1.00 0.00 C ATOM 724 CG ARG A 47 0.432 36.574 0.367 1.00 0.00 C ATOM 725 CD ARG A 47 0.199 35.951 1.745 1.00 0.00 C ATOM 726 NE ARG A 47 0.706 34.550 1.752 1.00 0.00 N ATOM 727 CZ ARG A 47 0.590 33.819 2.827 1.00 0.00 C ATOM 728 NH1 ARG A 47 0.267 34.375 3.963 1.00 0.00 N ATOM 729 NH2 ARG A 47 0.795 32.532 2.766 1.00 0.00 N ATOM 0 H ARG A 47 -0.862 35.364 -3.362 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.077 37.835 -1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.591 36.034 -0.166 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.369 34.991 -0.865 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.440 36.347 0.019 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.353 37.659 0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.708 36.536 2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.864 35.965 1.987 1.00 0.00 H new ATOM 0 HE ARG A 47 1.144 34.162 0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.105 35.381 4.011 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.176 33.803 4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.046 32.097 1.878 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.704 31.961 3.606 1.00 0.00 H new ATOM 743 N GLN A 48 1.294 38.348 -2.296 1.00 0.00 N ATOM 744 CA GLN A 48 2.681 38.655 -2.747 1.00 0.00 C ATOM 745 C GLN A 48 3.697 37.990 -1.817 1.00 0.00 C ATOM 746 O GLN A 48 3.414 37.698 -0.673 1.00 0.00 O ATOM 747 CB GLN A 48 2.897 40.170 -2.730 1.00 0.00 C ATOM 748 CG GLN A 48 1.901 40.838 -3.682 1.00 0.00 C ATOM 749 CD GLN A 48 2.369 42.261 -3.993 1.00 0.00 C ATOM 750 OE1 GLN A 48 1.619 43.033 -4.730 1.00 0.00 O flip ATOM 751 NE2 GLN A 48 3.427 42.674 -3.561 1.00 0.00 N flip ATOM 0 H GLN A 48 0.761 39.149 -1.958 1.00 0.00 H new ATOM 0 HA GLN A 48 2.818 38.272 -3.758 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.765 40.556 -1.719 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.918 40.406 -3.030 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.819 40.261 -4.603 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.909 40.860 -3.231 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.013 42.070 -2.985 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.729 43.625 -3.775 1.00 0.00 H new ATOM 760 N HIS A 49 4.884 37.750 -2.308 1.00 0.00 N ATOM 761 CA HIS A 49 5.929 37.104 -1.464 1.00 0.00 C ATOM 762 C HIS A 49 6.425 38.097 -0.410 1.00 0.00 C ATOM 763 O HIS A 49 6.986 39.126 -0.727 1.00 0.00 O ATOM 764 CB HIS A 49 7.103 36.676 -2.344 1.00 0.00 C ATOM 765 CG HIS A 49 7.998 35.750 -1.568 1.00 0.00 C ATOM 766 ND1 HIS A 49 9.373 35.917 -1.519 1.00 0.00 N ATOM 767 CD2 HIS A 49 7.727 34.644 -0.800 1.00 0.00 C ATOM 768 CE1 HIS A 49 9.873 34.936 -0.746 1.00 0.00 C ATOM 769 NE2 HIS A 49 8.913 34.132 -0.282 1.00 0.00 N ATOM 0 H HIS A 49 5.175 37.974 -3.260 1.00 0.00 H new ATOM 0 HA HIS A 49 5.503 36.231 -0.970 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.736 36.178 -3.241 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.664 37.551 -2.672 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.743 34.234 -0.625 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.923 34.814 -0.527 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.025 33.318 0.322 1.00 0.00 H new ATOM 777 N GLY A 50 6.223 37.793 0.843 1.00 0.00 N ATOM 778 CA GLY A 50 6.685 38.717 1.918 1.00 0.00 C ATOM 779 C GLY A 50 5.488 39.484 2.481 1.00 0.00 C ATOM 780 O GLY A 50 5.633 40.348 3.321 1.00 0.00 O ATOM 0 H GLY A 50 5.758 36.945 1.169 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.175 38.153 2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.423 39.414 1.521 1.00 0.00 H new ATOM 784 N SER A 51 4.305 39.173 2.026 1.00 0.00 N ATOM 785 CA SER A 51 3.101 39.883 2.538 1.00 0.00 C ATOM 786 C SER A 51 2.218 38.896 3.303 1.00 0.00 C ATOM 787 O SER A 51 2.320 37.697 3.131 1.00 0.00 O ATOM 788 CB SER A 51 2.314 40.468 1.362 1.00 0.00 C ATOM 789 OG SER A 51 1.336 41.373 1.851 1.00 0.00 O ATOM 0 H SER A 51 4.121 38.458 1.322 1.00 0.00 H new ATOM 0 HA SER A 51 3.409 40.689 3.204 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.990 40.981 0.678 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.835 39.668 0.797 1.00 0.00 H new ATOM 0 HG SER A 51 0.833 41.749 1.099 1.00 0.00 H new ATOM 795 N GLU A 52 1.354 39.388 4.147 1.00 0.00 N ATOM 796 CA GLU A 52 0.467 38.475 4.921 1.00 0.00 C ATOM 797 C GLU A 52 -0.994 38.852 4.668 1.00 0.00 C ATOM 798 O GLU A 52 -1.885 38.437 5.383 1.00 0.00 O ATOM 799 CB GLU A 52 0.779 38.603 6.413 1.00 0.00 C ATOM 800 CG GLU A 52 2.219 38.154 6.672 1.00 0.00 C ATOM 801 CD GLU A 52 2.527 38.263 8.167 1.00 0.00 C ATOM 802 OE1 GLU A 52 1.704 38.810 8.883 1.00 0.00 O ATOM 803 OE2 GLU A 52 3.579 37.797 8.570 1.00 0.00 O ATOM 0 H GLU A 52 1.224 40.382 4.334 1.00 0.00 H new ATOM 0 HA GLU A 52 0.637 37.446 4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.645 39.635 6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.086 37.994 6.994 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.357 37.126 6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.912 38.772 6.101 1.00 0.00 H new ATOM 810 N GLU A 53 -1.247 39.635 3.656 1.00 0.00 N ATOM 811 CA GLU A 53 -2.650 40.037 3.358 1.00 0.00 C ATOM 812 C GLU A 53 -3.058 39.486 1.991 1.00 0.00 C ATOM 813 O GLU A 53 -2.857 40.115 0.971 1.00 0.00 O ATOM 814 CB GLU A 53 -2.753 41.564 3.346 1.00 0.00 C ATOM 815 CG GLU A 53 -2.366 42.112 4.722 1.00 0.00 C ATOM 816 CD GLU A 53 -2.613 43.621 4.757 1.00 0.00 C ATOM 817 OE1 GLU A 53 -2.908 44.178 3.713 1.00 0.00 O ATOM 818 OE2 GLU A 53 -2.501 44.195 5.827 1.00 0.00 O ATOM 0 H GLU A 53 -0.543 40.014 3.023 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.314 39.636 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.097 41.977 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.769 41.869 3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.950 41.619 5.499 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.317 41.899 4.928 1.00 0.00 H new ATOM 825 N TRP A 54 -3.629 38.314 1.965 1.00 0.00 N ATOM 826 CA TRP A 54 -4.051 37.716 0.668 1.00 0.00 C ATOM 827 C TRP A 54 -4.927 38.709 -0.097 1.00 0.00 C ATOM 828 O TRP A 54 -5.825 39.315 0.452 1.00 0.00 O ATOM 829 CB TRP A 54 -4.845 36.437 0.933 1.00 0.00 C ATOM 830 CG TRP A 54 -3.899 35.332 1.270 1.00 0.00 C ATOM 831 CD1 TRP A 54 -3.371 35.106 2.494 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.356 34.303 0.393 1.00 0.00 C ATOM 833 NE1 TRP A 54 -2.540 34.002 2.426 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.499 33.472 1.151 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.526 34.014 -0.973 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.832 32.391 0.574 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.856 32.927 -1.557 1.00 0.00 C ATOM 838 CH2 TRP A 54 -2.012 32.117 -0.785 1.00 0.00 C ATOM 0 H TRP A 54 -3.822 37.743 2.788 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.168 37.482 0.074 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.547 36.594 1.752 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.434 36.172 0.055 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.566 35.692 3.380 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -2.021 33.626 3.220 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.175 34.631 -1.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.182 31.771 1.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.992 32.714 -2.607 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.501 31.281 -1.240 1.00 0.00 H new ATOM 849 N GLU A 55 -4.672 38.877 -1.366 1.00 0.00 N ATOM 850 CA GLU A 55 -5.488 39.827 -2.172 1.00 0.00 C ATOM 851 C GLU A 55 -6.419 39.041 -3.096 1.00 0.00 C ATOM 852 O GLU A 55 -6.018 38.085 -3.730 1.00 0.00 O ATOM 853 CB GLU A 55 -4.563 40.709 -3.012 1.00 0.00 C ATOM 854 CG GLU A 55 -4.903 42.181 -2.768 1.00 0.00 C ATOM 855 CD GLU A 55 -3.996 43.063 -3.629 1.00 0.00 C ATOM 856 OE1 GLU A 55 -2.790 42.971 -3.471 1.00 0.00 O ATOM 857 OE2 GLU A 55 -4.524 43.814 -4.433 1.00 0.00 O ATOM 0 H GLU A 55 -3.933 38.397 -1.879 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.080 40.453 -1.505 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.523 40.517 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.675 40.469 -4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.949 42.369 -3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.772 42.426 -1.714 1.00 0.00 H new ATOM 864 N PRO A 56 -7.693 39.456 -3.169 1.00 0.00 N ATOM 865 CA PRO A 56 -8.695 38.794 -4.013 1.00 0.00 C ATOM 866 C PRO A 56 -8.427 39.030 -5.503 1.00 0.00 C ATOM 867 O PRO A 56 -7.961 40.080 -5.900 1.00 0.00 O ATOM 868 CB PRO A 56 -10.005 39.470 -3.608 1.00 0.00 C ATOM 869 CG PRO A 56 -9.593 40.804 -3.083 1.00 0.00 C ATOM 870 CD PRO A 56 -8.253 40.603 -2.434 1.00 0.00 C ATOM 0 HA PRO A 56 -8.696 37.713 -3.876 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.679 39.570 -4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.532 38.891 -2.850 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.530 41.537 -3.888 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.321 41.181 -2.365 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.623 41.488 -2.528 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.349 40.391 -1.369 1.00 0.00 H new ATOM 878 N LEU A 57 -8.721 38.066 -6.331 1.00 0.00 N ATOM 879 CA LEU A 57 -8.486 38.244 -7.792 1.00 0.00 C ATOM 880 C LEU A 57 -9.834 38.341 -8.506 1.00 0.00 C ATOM 881 O LEU A 57 -10.817 37.780 -8.065 1.00 0.00 O ATOM 882 CB LEU A 57 -7.709 37.044 -8.335 1.00 0.00 C ATOM 883 CG LEU A 57 -6.243 37.156 -7.917 1.00 0.00 C ATOM 884 CD1 LEU A 57 -6.117 36.860 -6.422 1.00 0.00 C ATOM 885 CD2 LEU A 57 -5.406 36.148 -8.708 1.00 0.00 C ATOM 0 H LEU A 57 -9.113 37.164 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.911 39.154 -7.963 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.137 36.117 -7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.787 37.008 -9.422 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.884 38.165 -8.121 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.072 36.939 -6.122 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.712 37.578 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.477 35.851 -6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.361 36.229 -8.409 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.764 35.139 -8.505 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.496 36.357 -9.774 1.00 0.00 H new ATOM 897 N THR A 58 -9.897 39.043 -9.604 1.00 0.00 N ATOM 898 CA THR A 58 -11.195 39.155 -10.323 1.00 0.00 C ATOM 899 C THR A 58 -11.180 38.220 -11.534 1.00 0.00 C ATOM 900 O THR A 58 -10.281 38.265 -12.351 1.00 0.00 O ATOM 901 CB THR A 58 -11.411 40.599 -10.785 1.00 0.00 C ATOM 902 OG1 THR A 58 -11.096 41.486 -9.721 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.870 40.792 -11.199 1.00 0.00 C ATOM 0 H THR A 58 -9.114 39.539 -10.030 1.00 0.00 H new ATOM 0 HA THR A 58 -12.008 38.874 -9.654 1.00 0.00 H new ATOM 0 HB THR A 58 -10.765 40.809 -11.637 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.232 42.411 -10.015 1.00 0.00 H new ATOM 0 HG21 THR A 58 -13.022 41.820 -11.527 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.110 40.111 -12.016 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.520 40.583 -10.349 1.00 0.00 H new ATOM 911 N LYS A 59 -12.163 37.370 -11.655 1.00 0.00 N ATOM 912 CA LYS A 59 -12.192 36.433 -12.812 1.00 0.00 C ATOM 913 C LYS A 59 -12.661 37.190 -14.057 1.00 0.00 C ATOM 914 O LYS A 59 -13.839 37.442 -14.227 1.00 0.00 O ATOM 915 CB LYS A 59 -13.161 35.288 -12.512 1.00 0.00 C ATOM 916 CG LYS A 59 -12.849 34.095 -13.416 1.00 0.00 C ATOM 917 CD LYS A 59 -13.831 32.962 -13.115 1.00 0.00 C ATOM 918 CE LYS A 59 -13.260 31.639 -13.630 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.255 30.552 -13.414 1.00 0.00 N ATOM 0 H LYS A 59 -12.944 37.284 -11.005 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.195 36.027 -12.985 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.078 34.994 -11.466 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.188 35.617 -12.671 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.924 34.388 -14.463 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.826 33.758 -13.252 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.012 32.899 -12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.792 33.164 -13.589 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.020 31.722 -14.690 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.331 31.405 -13.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.868 29.652 -13.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.463 30.468 -12.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.131 30.775 -13.929 1.00 0.00 H new ATOM 933 N LYS A 60 -11.763 37.568 -14.926 1.00 0.00 N ATOM 934 CA LYS A 60 -12.191 38.320 -16.141 1.00 0.00 C ATOM 935 C LYS A 60 -11.904 37.495 -17.398 1.00 0.00 C ATOM 936 O LYS A 60 -10.976 36.715 -17.441 1.00 0.00 O ATOM 937 CB LYS A 60 -11.421 39.641 -16.215 1.00 0.00 C ATOM 938 CG LYS A 60 -12.091 40.673 -15.306 1.00 0.00 C ATOM 939 CD LYS A 60 -11.774 42.082 -15.814 1.00 0.00 C ATOM 940 CE LYS A 60 -12.800 43.070 -15.255 1.00 0.00 C ATOM 941 NZ LYS A 60 -12.133 44.372 -14.969 1.00 0.00 N ATOM 0 H LYS A 60 -10.761 37.391 -14.849 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.261 38.517 -16.081 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.386 39.489 -15.909 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.400 40.005 -17.242 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.169 40.514 -15.291 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.737 40.556 -14.282 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.769 42.373 -15.508 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.793 42.100 -16.904 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -13.610 43.214 -15.971 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.247 42.670 -14.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.831 45.043 -14.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.375 44.228 -14.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.727 44.754 -15.847 1.00 0.00 H new ATOM 955 N GLY A 61 -12.686 37.672 -18.426 1.00 0.00 N ATOM 956 CA GLY A 61 -12.452 36.910 -19.688 1.00 0.00 C ATOM 957 C GLY A 61 -12.139 35.443 -19.376 1.00 0.00 C ATOM 958 O GLY A 61 -11.397 34.795 -20.088 1.00 0.00 O ATOM 0 H GLY A 61 -13.479 38.313 -18.448 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.333 36.973 -20.327 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.625 37.355 -20.241 1.00 0.00 H new ATOM 962 N ASN A 62 -12.703 34.909 -18.328 1.00 0.00 N ATOM 963 CA ASN A 62 -12.441 33.479 -17.988 1.00 0.00 C ATOM 964 C ASN A 62 -11.058 33.335 -17.344 1.00 0.00 C ATOM 965 O ASN A 62 -10.547 32.244 -17.190 1.00 0.00 O ATOM 966 CB ASN A 62 -12.499 32.635 -19.262 1.00 0.00 C ATOM 967 CG ASN A 62 -13.578 33.189 -20.194 1.00 0.00 C ATOM 968 OD1 ASN A 62 -13.357 33.333 -21.380 1.00 0.00 O ATOM 969 ND2 ASN A 62 -14.744 33.511 -19.704 1.00 0.00 N ATOM 0 H ASN A 62 -13.333 35.399 -17.692 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.199 33.136 -17.284 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.531 32.646 -19.762 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.717 31.596 -19.013 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.469 33.883 -20.317 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.930 33.390 -18.708 1.00 0.00 H new ATOM 976 N VAL A 63 -10.452 34.424 -16.959 1.00 0.00 N ATOM 977 CA VAL A 63 -9.109 34.341 -16.315 1.00 0.00 C ATOM 978 C VAL A 63 -9.130 35.160 -15.024 1.00 0.00 C ATOM 979 O VAL A 63 -10.116 35.792 -14.701 1.00 0.00 O ATOM 980 CB VAL A 63 -8.043 34.901 -17.262 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.710 33.856 -18.328 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.567 36.170 -17.938 1.00 0.00 C ATOM 0 H VAL A 63 -10.827 35.367 -17.062 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.872 33.301 -16.092 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.145 35.141 -16.692 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.952 34.253 -19.003 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.332 32.954 -17.847 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.609 33.615 -18.895 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.806 36.565 -18.611 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.467 35.934 -18.507 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.803 36.916 -17.179 1.00 0.00 H new ATOM 992 N TRP A 64 -8.058 35.162 -14.279 1.00 0.00 N ATOM 993 CA TRP A 64 -8.047 35.949 -13.014 1.00 0.00 C ATOM 994 C TRP A 64 -6.931 36.992 -13.063 1.00 0.00 C ATOM 995 O TRP A 64 -5.870 36.758 -13.605 1.00 0.00 O ATOM 996 CB TRP A 64 -7.820 35.013 -11.827 1.00 0.00 C ATOM 997 CG TRP A 64 -8.915 33.997 -11.782 1.00 0.00 C ATOM 998 CD1 TRP A 64 -9.090 33.007 -12.685 1.00 0.00 C ATOM 999 CD2 TRP A 64 -9.986 33.857 -10.805 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -10.201 32.265 -12.324 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.788 32.752 -11.173 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.336 34.576 -9.647 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -11.899 32.372 -10.419 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.453 34.196 -8.886 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -12.234 33.096 -9.271 1.00 0.00 C ATOM 0 H TRP A 64 -7.197 34.657 -14.489 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.006 36.453 -12.899 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.853 34.518 -11.919 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.799 35.583 -10.898 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.465 32.825 -13.547 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.544 31.458 -12.844 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.742 35.425 -9.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.496 31.524 -10.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.713 34.754 -7.999 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -13.092 32.809 -8.682 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.164 38.143 -12.494 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.118 39.202 -12.503 1.00 0.00 C ATOM 1018 C GLU A 65 -6.038 39.851 -11.119 1.00 0.00 C ATOM 1019 O GLU A 65 -7.006 39.896 -10.385 1.00 0.00 O ATOM 1020 CB GLU A 65 -6.471 40.262 -13.547 1.00 0.00 C ATOM 1021 CG GLU A 65 -5.591 41.496 -13.341 1.00 0.00 C ATOM 1022 CD GLU A 65 -5.892 42.524 -14.434 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -6.960 42.442 -15.019 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -5.049 43.374 -14.668 1.00 0.00 O ATOM 0 H GLU A 65 -8.033 38.395 -12.024 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.154 38.758 -12.752 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.325 39.862 -14.550 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -7.523 40.535 -13.462 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.777 41.929 -12.358 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.538 41.215 -13.371 1.00 0.00 H new ATOM 1031 N VAL A 66 -4.890 40.356 -10.761 1.00 0.00 N ATOM 1032 CA VAL A 66 -4.740 41.004 -9.428 1.00 0.00 C ATOM 1033 C VAL A 66 -3.932 42.295 -9.578 1.00 0.00 C ATOM 1034 O VAL A 66 -2.906 42.323 -10.228 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.006 40.054 -8.479 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -2.531 39.973 -8.880 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -4.117 40.578 -7.046 1.00 0.00 C ATOM 0 H VAL A 66 -4.047 40.348 -11.336 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.725 41.235 -9.023 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.454 39.062 -8.538 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.007 39.297 -8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.452 39.600 -9.901 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.083 40.965 -8.820 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.594 39.902 -6.370 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.669 41.570 -6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.167 40.637 -6.760 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.382 43.363 -8.979 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.630 44.645 -9.089 1.00 0.00 C ATOM 1049 C LYS A 67 -3.207 45.107 -7.694 1.00 0.00 C ATOM 1050 O LYS A 67 -3.995 45.140 -6.769 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.517 45.708 -9.739 1.00 0.00 C ATOM 1052 CG LYS A 67 -5.117 45.152 -11.031 1.00 0.00 C ATOM 1053 CD LYS A 67 -5.900 46.255 -11.747 1.00 0.00 C ATOM 1054 CE LYS A 67 -6.560 45.681 -13.003 1.00 0.00 C ATOM 1055 NZ LYS A 67 -7.983 46.119 -13.062 1.00 0.00 N ATOM 0 H LYS A 67 -5.234 43.404 -8.420 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.743 44.495 -9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.312 46.002 -9.054 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.933 46.603 -9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.326 44.774 -11.679 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.774 44.312 -10.807 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.658 46.668 -11.081 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.232 47.073 -12.016 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.028 46.018 -13.893 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.504 44.593 -12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.431 45.729 -13.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.487 45.777 -12.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.026 47.158 -13.093 1.00 0.00 H new ATOM 1069 N SER A 68 -1.959 45.458 -7.537 1.00 0.00 N ATOM 1070 CA SER A 68 -1.465 45.913 -6.208 1.00 0.00 C ATOM 1071 C SER A 68 -0.972 47.356 -6.313 1.00 0.00 C ATOM 1072 O SER A 68 -0.769 47.875 -7.394 1.00 0.00 O ATOM 1073 CB SER A 68 -0.305 45.017 -5.771 1.00 0.00 C ATOM 1074 OG SER A 68 0.157 45.429 -4.492 1.00 0.00 O ATOM 0 H SER A 68 -1.257 45.449 -8.277 1.00 0.00 H new ATOM 0 HA SER A 68 -2.273 45.856 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.629 43.977 -5.735 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.506 45.073 -6.498 1.00 0.00 H new ATOM 0 HG SER A 68 0.794 44.770 -4.146 1.00 0.00 H new ATOM 1080 N SER A 69 -0.768 48.006 -5.202 1.00 0.00 N ATOM 1081 CA SER A 69 -0.279 49.411 -5.244 1.00 0.00 C ATOM 1082 C SER A 69 1.252 49.407 -5.263 1.00 0.00 C ATOM 1083 O SER A 69 1.887 50.444 -5.242 1.00 0.00 O ATOM 1084 CB SER A 69 -0.774 50.164 -4.006 1.00 0.00 C ATOM 1085 OG SER A 69 -2.193 50.125 -3.967 1.00 0.00 O ATOM 0 H SER A 69 -0.919 47.625 -4.268 1.00 0.00 H new ATOM 0 HA SER A 69 -0.657 49.905 -6.139 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.362 49.713 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.428 51.197 -4.033 1.00 0.00 H new ATOM 0 HG SER A 69 -2.512 50.605 -3.174 1.00 0.00 H new ATOM 1091 N LYS A 70 1.845 48.246 -5.301 1.00 0.00 N ATOM 1092 CA LYS A 70 3.332 48.162 -5.322 1.00 0.00 C ATOM 1093 C LYS A 70 3.758 47.018 -6.245 1.00 0.00 C ATOM 1094 O LYS A 70 2.932 46.304 -6.779 1.00 0.00 O ATOM 1095 CB LYS A 70 3.845 47.896 -3.905 1.00 0.00 C ATOM 1096 CG LYS A 70 4.540 49.151 -3.370 1.00 0.00 C ATOM 1097 CD LYS A 70 4.898 48.945 -1.897 1.00 0.00 C ATOM 1098 CE LYS A 70 6.411 48.776 -1.759 1.00 0.00 C ATOM 1099 NZ LYS A 70 6.720 47.375 -1.356 1.00 0.00 N ATOM 0 H LYS A 70 1.361 47.348 -5.318 1.00 0.00 H new ATOM 0 HA LYS A 70 3.749 49.100 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.017 47.620 -3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.540 47.056 -3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.440 49.356 -3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.886 50.016 -3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.561 49.798 -1.307 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.386 48.065 -1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.901 49.010 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.799 49.473 -1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.749 47.260 -1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.264 47.167 -0.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.363 46.719 -2.080 1.00 0.00 H new ATOM 1113 N PRO A 71 5.074 46.839 -6.436 1.00 0.00 N ATOM 1114 CA PRO A 71 5.609 45.777 -7.297 1.00 0.00 C ATOM 1115 C PRO A 71 5.370 44.387 -6.698 1.00 0.00 C ATOM 1116 O PRO A 71 5.503 44.182 -5.509 1.00 0.00 O ATOM 1117 CB PRO A 71 7.107 46.078 -7.349 1.00 0.00 C ATOM 1118 CG PRO A 71 7.378 46.841 -6.097 1.00 0.00 C ATOM 1119 CD PRO A 71 6.142 47.653 -5.829 1.00 0.00 C ATOM 0 HA PRO A 71 5.132 45.763 -8.277 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.695 45.161 -7.390 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.364 46.662 -8.233 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.589 46.166 -5.267 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.250 47.485 -6.214 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.980 47.801 -4.761 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.203 48.642 -6.282 1.00 0.00 H new ATOM 1127 N LEU A 72 5.013 43.433 -7.514 1.00 0.00 N ATOM 1128 CA LEU A 72 4.760 42.060 -6.992 1.00 0.00 C ATOM 1129 C LEU A 72 6.089 41.389 -6.647 1.00 0.00 C ATOM 1130 O LEU A 72 7.081 41.563 -7.328 1.00 0.00 O ATOM 1131 CB LEU A 72 4.035 41.234 -8.056 1.00 0.00 C ATOM 1132 CG LEU A 72 2.867 42.042 -8.623 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.493 41.501 -10.004 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.663 41.924 -7.686 1.00 0.00 C ATOM 0 H LEU A 72 4.886 43.545 -8.520 1.00 0.00 H new ATOM 0 HA LEU A 72 4.142 42.123 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.726 40.964 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.670 40.303 -7.622 1.00 0.00 H new ATOM 0 HG LEU A 72 3.159 43.089 -8.711 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.660 42.077 -10.407 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.350 41.585 -10.672 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.202 40.454 -9.918 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.830 42.500 -8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.372 40.877 -7.598 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.928 42.311 -6.702 1.00 0.00 H new ATOM 1146 N VAL A 73 6.117 40.618 -5.595 1.00 0.00 N ATOM 1147 CA VAL A 73 7.378 39.931 -5.205 1.00 0.00 C ATOM 1148 C VAL A 73 7.159 38.418 -5.233 1.00 0.00 C ATOM 1149 O VAL A 73 6.283 37.896 -4.574 1.00 0.00 O ATOM 1150 CB VAL A 73 7.783 40.365 -3.794 1.00 0.00 C ATOM 1151 CG1 VAL A 73 9.154 39.778 -3.454 1.00 0.00 C ATOM 1152 CG2 VAL A 73 7.851 41.892 -3.729 1.00 0.00 C ATOM 0 H VAL A 73 5.318 40.434 -4.988 1.00 0.00 H new ATOM 0 HA VAL A 73 8.170 40.198 -5.905 1.00 0.00 H new ATOM 0 HB VAL A 73 7.045 40.004 -3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.443 40.087 -2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.105 38.690 -3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.892 40.138 -4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.139 42.201 -2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.588 42.254 -4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.874 42.310 -3.971 1.00 0.00 H new ATOM 1162 N GLY A 74 7.949 37.710 -5.990 1.00 0.00 N ATOM 1163 CA GLY A 74 7.786 36.230 -6.059 1.00 0.00 C ATOM 1164 C GLY A 74 8.688 35.572 -5.015 1.00 0.00 C ATOM 1165 O GLY A 74 9.587 36.190 -4.480 1.00 0.00 O ATOM 0 H GLY A 74 8.701 38.091 -6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.746 35.959 -5.880 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.042 35.871 -7.056 1.00 0.00 H new ATOM 1169 N PRO A 75 8.440 34.287 -4.722 1.00 0.00 N ATOM 1170 CA PRO A 75 7.360 33.521 -5.357 1.00 0.00 C ATOM 1171 C PRO A 75 5.975 34.001 -4.910 1.00 0.00 C ATOM 1172 O PRO A 75 5.787 34.452 -3.798 1.00 0.00 O ATOM 1173 CB PRO A 75 7.604 32.092 -4.879 1.00 0.00 C ATOM 1174 CG PRO A 75 8.349 32.246 -3.596 1.00 0.00 C ATOM 1175 CD PRO A 75 9.194 33.480 -3.748 1.00 0.00 C ATOM 0 HA PRO A 75 7.369 33.627 -6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.665 31.558 -4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.182 31.524 -5.607 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.661 32.346 -2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.969 31.372 -3.398 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.316 34.004 -2.800 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.194 33.241 -4.111 1.00 0.00 H new ATOM 1183 N PHE A 76 5.008 33.911 -5.782 1.00 0.00 N ATOM 1184 CA PHE A 76 3.632 34.363 -5.434 1.00 0.00 C ATOM 1185 C PHE A 76 2.838 33.209 -4.819 1.00 0.00 C ATOM 1186 O PHE A 76 3.068 32.053 -5.122 1.00 0.00 O ATOM 1187 CB PHE A 76 2.927 34.836 -6.707 1.00 0.00 C ATOM 1188 CG PHE A 76 3.727 35.950 -7.340 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.893 37.165 -6.664 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.302 35.769 -8.604 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.634 38.197 -7.251 1.00 0.00 C ATOM 1192 CE2 PHE A 76 5.042 36.802 -9.191 1.00 0.00 C ATOM 1193 CZ PHE A 76 5.209 38.016 -8.514 1.00 0.00 C ATOM 0 H PHE A 76 5.114 33.541 -6.727 1.00 0.00 H new ATOM 0 HA PHE A 76 3.693 35.177 -4.712 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.821 34.007 -7.407 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.922 35.184 -6.471 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.449 37.306 -5.690 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.174 34.832 -9.126 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.762 39.134 -6.729 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.484 36.662 -10.166 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.781 38.812 -8.966 1.00 0.00 H new ATOM 1203 N ASN A 77 1.899 33.514 -3.965 1.00 0.00 N ATOM 1204 CA ASN A 77 1.080 32.438 -3.339 1.00 0.00 C ATOM 1205 C ASN A 77 -0.362 32.550 -3.843 1.00 0.00 C ATOM 1206 O ASN A 77 -0.875 33.634 -4.037 1.00 0.00 O ATOM 1207 CB ASN A 77 1.104 32.593 -1.818 1.00 0.00 C ATOM 1208 CG ASN A 77 2.553 32.692 -1.338 1.00 0.00 C ATOM 1209 OD1 ASN A 77 3.277 31.716 -1.351 1.00 0.00 O ATOM 1210 ND2 ASN A 77 3.010 33.837 -0.910 1.00 0.00 N ATOM 0 H ASN A 77 1.664 34.463 -3.674 1.00 0.00 H new ATOM 0 HA ASN A 77 1.489 31.463 -3.606 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.551 33.485 -1.524 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.611 31.742 -1.347 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.974 33.912 -0.587 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.403 34.656 -0.899 1.00 0.00 H new ATOM 1217 N PHE A 78 -1.019 31.444 -4.060 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.425 31.504 -4.555 1.00 0.00 C ATOM 1219 C PHE A 78 -3.293 30.517 -3.770 1.00 0.00 C ATOM 1220 O PHE A 78 -3.021 29.333 -3.736 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.462 31.121 -6.037 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.765 32.173 -6.867 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -0.375 32.129 -7.032 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -2.511 33.184 -7.486 1.00 0.00 C ATOM 1225 CE1 PHE A 78 0.269 33.099 -7.813 1.00 0.00 C ATOM 1226 CE2 PHE A 78 -1.868 34.150 -8.268 1.00 0.00 C ATOM 1227 CZ PHE A 78 -0.478 34.109 -8.432 1.00 0.00 C ATOM 0 H PHE A 78 -0.646 30.505 -3.917 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.806 32.517 -4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.979 30.155 -6.182 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.495 31.014 -6.366 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.201 31.348 -6.558 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.583 33.218 -7.360 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.341 33.067 -7.937 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.445 34.928 -8.746 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.017 34.855 -9.035 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.348 30.984 -3.152 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.228 30.049 -2.393 1.00 0.00 C ATOM 1239 C ARG A 79 -6.494 29.797 -3.216 1.00 0.00 C ATOM 1240 O ARG A 79 -7.001 30.679 -3.880 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.594 30.652 -1.036 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.300 29.597 -0.182 1.00 0.00 C ATOM 1243 CD ARG A 79 -6.787 30.235 1.121 1.00 0.00 C ATOM 1244 NE ARG A 79 -7.335 29.176 2.016 1.00 0.00 N ATOM 1245 CZ ARG A 79 -7.235 29.301 3.312 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -7.275 30.484 3.859 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -7.096 28.240 4.059 1.00 0.00 N ATOM 0 H ARG A 79 -4.635 31.963 -3.140 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.705 29.109 -2.218 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.696 31.004 -0.529 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.243 31.517 -1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.143 29.175 -0.730 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.618 28.775 0.036 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.965 30.754 1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.554 30.981 0.910 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.788 28.354 1.616 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.385 31.313 3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.197 30.581 4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -7.066 27.315 3.630 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.018 28.336 5.071 1.00 0.00 H new ATOM 1261 N PHE A 80 -6.988 28.588 -3.208 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.194 28.270 -4.024 1.00 0.00 C ATOM 1263 C PHE A 80 -9.305 27.660 -3.168 1.00 0.00 C ATOM 1264 O PHE A 80 -9.059 26.871 -2.282 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.805 27.246 -5.083 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.228 27.957 -6.282 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -5.999 28.616 -6.175 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.920 27.959 -7.498 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.460 29.279 -7.282 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.381 28.623 -8.607 1.00 0.00 C ATOM 1271 CZ PHE A 80 -6.152 29.282 -8.499 1.00 0.00 C ATOM 0 H PHE A 80 -6.608 27.808 -2.672 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.559 29.196 -4.469 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.076 26.546 -4.676 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.677 26.663 -5.378 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.465 28.613 -5.236 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.868 27.449 -7.581 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.511 29.788 -7.198 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.915 28.626 -9.546 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.737 29.793 -9.355 1.00 0.00 H new ATOM 1281 N MET A 81 -10.532 27.998 -3.457 1.00 0.00 N ATOM 1282 CA MET A 81 -11.667 27.412 -2.693 1.00 0.00 C ATOM 1283 C MET A 81 -12.626 26.755 -3.688 1.00 0.00 C ATOM 1284 O MET A 81 -13.091 27.377 -4.624 1.00 0.00 O ATOM 1285 CB MET A 81 -12.392 28.499 -1.899 1.00 0.00 C ATOM 1286 CG MET A 81 -13.721 27.950 -1.378 1.00 0.00 C ATOM 1287 SD MET A 81 -14.472 29.152 -0.252 1.00 0.00 S ATOM 1288 CE MET A 81 -14.506 28.094 1.216 1.00 0.00 C ATOM 0 H MET A 81 -10.797 28.656 -4.190 1.00 0.00 H new ATOM 0 HA MET A 81 -11.296 26.671 -1.986 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.772 28.831 -1.066 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.569 29.369 -2.531 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.394 27.746 -2.211 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.558 27.004 -0.861 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.508 28.100 1.646 1.00 0.00 H new ATOM 0 HE2 MET A 81 -14.237 27.075 0.937 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.794 28.469 1.951 1.00 0.00 H new ATOM 1298 N SER A 82 -12.901 25.492 -3.508 1.00 0.00 N ATOM 1299 CA SER A 82 -13.800 24.777 -4.453 1.00 0.00 C ATOM 1300 C SER A 82 -15.239 25.265 -4.288 1.00 0.00 C ATOM 1301 O SER A 82 -15.689 25.532 -3.190 1.00 0.00 O ATOM 1302 CB SER A 82 -13.748 23.278 -4.157 1.00 0.00 C ATOM 1303 OG SER A 82 -14.601 22.987 -3.060 1.00 0.00 O ATOM 0 H SER A 82 -12.539 24.923 -2.743 1.00 0.00 H new ATOM 0 HA SER A 82 -13.470 24.974 -5.473 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.059 22.711 -5.035 1.00 0.00 H new ATOM 0 HB3 SER A 82 -12.726 22.976 -3.928 1.00 0.00 H new ATOM 0 HG SER A 82 -15.411 22.541 -3.385 1.00 0.00 H new ATOM 1309 N LYS A 83 -15.971 25.359 -5.362 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.387 25.806 -5.256 1.00 0.00 C ATOM 1311 C LYS A 83 -18.075 25.010 -4.141 1.00 0.00 C ATOM 1312 O LYS A 83 -18.783 25.556 -3.318 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.085 25.562 -6.599 1.00 0.00 C ATOM 1314 CG LYS A 83 -19.486 24.996 -6.373 1.00 0.00 C ATOM 1315 CD LYS A 83 -20.298 25.159 -7.655 1.00 0.00 C ATOM 1316 CE LYS A 83 -21.489 26.079 -7.389 1.00 0.00 C ATOM 1317 NZ LYS A 83 -22.623 25.692 -8.275 1.00 0.00 N ATOM 0 H LYS A 83 -15.651 25.146 -6.307 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.438 26.868 -5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.148 26.495 -7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -17.498 24.869 -7.201 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -19.427 23.944 -6.095 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -19.974 25.516 -5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -19.672 25.575 -8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -20.646 24.187 -8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -21.790 26.009 -6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -21.209 27.116 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -23.434 26.318 -8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -22.332 25.780 -9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -22.895 24.707 -8.080 1.00 0.00 H new ATOM 1331 N GLY A 84 -17.867 23.720 -4.114 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.502 22.872 -3.059 1.00 0.00 C ATOM 1333 C GLY A 84 -18.142 23.399 -1.662 1.00 0.00 C ATOM 1334 O GLY A 84 -18.598 22.882 -0.662 1.00 0.00 O ATOM 0 H GLY A 84 -17.282 23.214 -4.779 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.584 22.871 -3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.168 21.840 -3.163 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.342 24.427 -1.584 1.00 0.00 N ATOM 1339 CA GLY A 85 -16.974 24.984 -0.251 1.00 0.00 C ATOM 1340 C GLY A 85 -15.669 24.355 0.237 1.00 0.00 C ATOM 1341 O GLY A 85 -15.400 24.302 1.421 1.00 0.00 O ATOM 0 H GLY A 85 -16.928 24.905 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.863 26.066 -0.318 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.771 24.789 0.466 1.00 0.00 H new ATOM 1345 N MET A 86 -14.846 23.887 -0.661 1.00 0.00 N ATOM 1346 CA MET A 86 -13.554 23.279 -0.233 1.00 0.00 C ATOM 1347 C MET A 86 -12.445 24.316 -0.395 1.00 0.00 C ATOM 1348 O MET A 86 -12.513 25.173 -1.249 1.00 0.00 O ATOM 1349 CB MET A 86 -13.245 22.053 -1.095 1.00 0.00 C ATOM 1350 CG MET A 86 -14.501 21.190 -1.225 1.00 0.00 C ATOM 1351 SD MET A 86 -14.301 19.681 -0.244 1.00 0.00 S ATOM 1352 CE MET A 86 -12.765 19.114 -1.016 1.00 0.00 C ATOM 0 H MET A 86 -15.011 23.899 -1.668 1.00 0.00 H new ATOM 0 HA MET A 86 -13.621 22.968 0.809 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.902 22.366 -2.081 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.438 21.474 -0.646 1.00 0.00 H new ATOM 0 HG2 MET A 86 -15.374 21.746 -0.883 1.00 0.00 H new ATOM 0 HG3 MET A 86 -14.674 20.936 -2.271 1.00 0.00 H new ATOM 0 HE1 MET A 86 -12.887 18.086 -1.357 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.528 19.753 -1.867 1.00 0.00 H new ATOM 0 HE3 MET A 86 -11.954 19.161 -0.290 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.435 24.266 0.425 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.348 25.276 0.308 1.00 0.00 C ATOM 1364 C ARG A 87 -9.009 24.589 0.034 1.00 0.00 C ATOM 1365 O ARG A 87 -8.660 23.607 0.660 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.251 26.068 1.612 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.471 26.980 1.748 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.681 27.335 3.223 1.00 0.00 C ATOM 1369 NE ARG A 87 -11.788 26.084 4.024 1.00 0.00 N ATOM 1370 CZ ARG A 87 -10.763 25.661 4.714 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -10.218 26.434 5.613 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -10.283 24.465 4.504 1.00 0.00 N ATOM 0 H ARG A 87 -11.315 23.575 1.166 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.577 25.947 -0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.197 25.386 2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.337 26.662 1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.327 27.887 1.161 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.357 26.482 1.353 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.850 27.941 3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.585 27.932 3.339 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.662 25.558 4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.593 27.368 5.777 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.417 26.104 6.152 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.709 23.861 3.801 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.482 24.135 5.043 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.247 25.118 -0.883 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.916 24.529 -1.190 1.00 0.00 C ATOM 1388 C ASN A 88 -5.901 25.669 -1.276 1.00 0.00 C ATOM 1389 O ASN A 88 -6.192 26.726 -1.799 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.971 23.773 -2.519 1.00 0.00 C ATOM 1391 CG ASN A 88 -8.142 22.789 -2.497 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -9.129 22.987 -3.179 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -8.077 21.731 -1.736 1.00 0.00 N ATOM 0 H ASN A 88 -8.492 25.939 -1.436 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.626 23.826 -0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.087 24.475 -3.345 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.036 23.238 -2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.854 21.070 -1.713 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.249 21.564 -1.164 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.724 25.479 -0.752 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.717 26.576 -0.798 1.00 0.00 C ATOM 1402 C VAL A 89 -2.446 26.100 -1.498 1.00 0.00 C ATOM 1403 O VAL A 89 -1.954 25.018 -1.252 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.376 27.008 0.629 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.617 28.336 0.593 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.665 27.181 1.433 1.00 0.00 C ATOM 0 H VAL A 89 -4.416 24.620 -0.297 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.133 27.417 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.754 26.246 1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.374 28.644 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.697 28.214 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.238 29.098 0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.421 27.489 2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.288 27.942 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.206 26.235 1.460 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.902 26.916 -2.358 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.650 26.531 -3.063 1.00 0.00 C ATOM 1418 C PHE A 90 0.408 27.600 -2.792 1.00 0.00 C ATOM 1419 O PHE A 90 0.216 28.765 -3.082 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.906 26.433 -4.568 1.00 0.00 C ATOM 1421 CG PHE A 90 -2.068 25.505 -4.826 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -2.053 24.202 -4.313 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -3.163 25.948 -5.578 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -3.132 23.343 -4.555 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -4.241 25.089 -5.819 1.00 0.00 C ATOM 1426 CZ PHE A 90 -4.226 23.787 -5.307 1.00 0.00 C ATOM 0 H PHE A 90 -2.272 27.834 -2.603 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.307 25.561 -2.702 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -1.120 27.421 -4.976 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.014 26.065 -5.075 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -1.210 23.860 -3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.176 26.953 -5.972 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.120 22.337 -4.161 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.085 25.431 -6.400 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.059 23.124 -5.492 1.00 0.00 H new ATOM 1436 N ASP A 91 1.520 27.217 -2.231 1.00 0.00 N ATOM 1437 CA ASP A 91 2.582 28.217 -1.935 1.00 0.00 C ATOM 1438 C ASP A 91 3.651 28.168 -3.024 1.00 0.00 C ATOM 1439 O ASP A 91 3.938 27.130 -3.586 1.00 0.00 O ATOM 1440 CB ASP A 91 3.217 27.903 -0.579 1.00 0.00 C ATOM 1441 CG ASP A 91 2.192 28.141 0.532 1.00 0.00 C ATOM 1442 OD1 ASP A 91 1.257 28.890 0.298 1.00 0.00 O ATOM 1443 OD2 ASP A 91 2.358 27.571 1.597 1.00 0.00 O ATOM 0 H ASP A 91 1.739 26.257 -1.965 1.00 0.00 H new ATOM 0 HA ASP A 91 2.142 29.214 -1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.560 26.868 -0.557 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.093 28.532 -0.421 1.00 0.00 H new ATOM 1448 N GLU A 92 4.250 29.287 -3.318 1.00 0.00 N ATOM 1449 CA GLU A 92 5.311 29.319 -4.360 1.00 0.00 C ATOM 1450 C GLU A 92 4.791 28.706 -5.663 1.00 0.00 C ATOM 1451 O GLU A 92 5.412 27.828 -6.229 1.00 0.00 O ATOM 1452 CB GLU A 92 6.521 28.521 -3.873 1.00 0.00 C ATOM 1453 CG GLU A 92 6.776 28.830 -2.397 1.00 0.00 C ATOM 1454 CD GLU A 92 7.908 27.942 -1.879 1.00 0.00 C ATOM 1455 OE1 GLU A 92 8.122 26.889 -2.458 1.00 0.00 O ATOM 1456 OE2 GLU A 92 8.544 28.328 -0.912 1.00 0.00 O ATOM 0 H GLU A 92 4.049 30.185 -2.879 1.00 0.00 H new ATOM 0 HA GLU A 92 5.598 30.354 -4.544 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.344 27.454 -4.007 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.400 28.775 -4.466 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.038 29.881 -2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 92 5.870 28.658 -1.816 1.00 0.00 H new ATOM 1463 N VAL A 93 3.668 29.156 -6.154 1.00 0.00 N ATOM 1464 CA VAL A 93 3.138 28.587 -7.426 1.00 0.00 C ATOM 1465 C VAL A 93 3.821 29.280 -8.607 1.00 0.00 C ATOM 1466 O VAL A 93 4.082 28.675 -9.628 1.00 0.00 O ATOM 1467 CB VAL A 93 1.628 28.818 -7.503 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.138 28.529 -8.924 1.00 0.00 C ATOM 1469 CG2 VAL A 93 0.916 27.886 -6.521 1.00 0.00 C ATOM 0 H VAL A 93 3.098 29.889 -5.732 1.00 0.00 H new ATOM 0 HA VAL A 93 3.339 27.516 -7.460 1.00 0.00 H new ATOM 0 HB VAL A 93 1.408 29.854 -7.245 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.062 28.694 -8.978 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.643 29.194 -9.625 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.360 27.493 -9.182 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.160 28.052 -6.577 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.137 26.850 -6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.262 28.091 -5.508 1.00 0.00 H new ATOM 1479 N ILE A 94 4.116 30.543 -8.473 1.00 0.00 N ATOM 1480 CA ILE A 94 4.788 31.275 -9.582 1.00 0.00 C ATOM 1481 C ILE A 94 5.947 32.094 -9.014 1.00 0.00 C ATOM 1482 O ILE A 94 5.767 32.905 -8.127 1.00 0.00 O ATOM 1483 CB ILE A 94 3.783 32.209 -10.260 1.00 0.00 C ATOM 1484 CG1 ILE A 94 2.809 31.384 -11.105 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.529 33.195 -11.162 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.430 32.046 -11.084 1.00 0.00 C ATOM 0 H ILE A 94 3.920 31.101 -7.642 1.00 0.00 H new ATOM 0 HA ILE A 94 5.168 30.563 -10.314 1.00 0.00 H new ATOM 0 HB ILE A 94 3.230 32.759 -9.499 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.173 31.309 -12.130 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.743 30.368 -10.715 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.813 33.860 -11.645 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.223 33.783 -10.562 1.00 0.00 H new ATOM 0 HG23 ILE A 94 5.083 32.645 -11.923 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.736 31.459 -11.685 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.067 32.098 -10.058 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.504 33.053 -11.494 1.00 0.00 H new ATOM 1498 N PRO A 95 7.162 31.873 -9.534 1.00 0.00 N ATOM 1499 CA PRO A 95 8.359 32.587 -9.075 1.00 0.00 C ATOM 1500 C PRO A 95 8.339 34.060 -9.496 1.00 0.00 C ATOM 1501 O PRO A 95 7.606 34.455 -10.381 1.00 0.00 O ATOM 1502 CB PRO A 95 9.505 31.853 -9.769 1.00 0.00 C ATOM 1503 CG PRO A 95 8.884 31.244 -10.981 1.00 0.00 C ATOM 1504 CD PRO A 95 7.464 30.912 -10.609 1.00 0.00 C ATOM 0 HA PRO A 95 8.441 32.593 -7.988 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.309 32.538 -10.038 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.938 31.091 -9.121 1.00 0.00 H new ATOM 0 HG2 PRO A 95 8.913 31.937 -11.822 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.425 30.348 -11.286 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.788 31.030 -11.456 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.368 29.882 -10.266 1.00 0.00 H new ATOM 1512 N THR A 96 9.135 34.874 -8.858 1.00 0.00 N ATOM 1513 CA THR A 96 9.162 36.322 -9.207 1.00 0.00 C ATOM 1514 C THR A 96 9.427 36.496 -10.703 1.00 0.00 C ATOM 1515 O THR A 96 8.904 37.394 -11.334 1.00 0.00 O ATOM 1516 CB THR A 96 10.270 37.015 -8.412 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.105 36.736 -7.029 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.200 38.524 -8.645 1.00 0.00 C ATOM 0 H THR A 96 9.769 34.598 -8.108 1.00 0.00 H new ATOM 0 HA THR A 96 8.198 36.766 -8.961 1.00 0.00 H new ATOM 0 HB THR A 96 11.241 36.645 -8.742 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.815 37.179 -6.519 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.990 39.017 -8.078 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.330 38.735 -9.707 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.230 38.898 -8.317 1.00 0.00 H new ATOM 1526 N ALA A 97 10.242 35.656 -11.281 1.00 0.00 N ATOM 1527 CA ALA A 97 10.537 35.796 -12.736 1.00 0.00 C ATOM 1528 C ALA A 97 9.551 34.951 -13.546 1.00 0.00 C ATOM 1529 O ALA A 97 9.869 33.867 -13.993 1.00 0.00 O ATOM 1530 CB ALA A 97 11.964 35.327 -13.017 1.00 0.00 C ATOM 0 H ALA A 97 10.714 34.883 -10.812 1.00 0.00 H new ATOM 0 HA ALA A 97 10.436 36.842 -13.024 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.178 35.430 -14.081 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.666 35.934 -12.445 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.067 34.282 -12.726 1.00 0.00 H new ATOM 1536 N PHE A 98 8.358 35.440 -13.739 1.00 0.00 N ATOM 1537 CA PHE A 98 7.353 34.664 -14.522 1.00 0.00 C ATOM 1538 C PHE A 98 7.483 35.015 -16.005 1.00 0.00 C ATOM 1539 O PHE A 98 7.777 36.137 -16.364 1.00 0.00 O ATOM 1540 CB PHE A 98 5.944 35.010 -14.035 1.00 0.00 C ATOM 1541 CG PHE A 98 5.764 36.510 -14.034 1.00 0.00 C ATOM 1542 CD1 PHE A 98 6.104 37.256 -12.898 1.00 0.00 C ATOM 1543 CD2 PHE A 98 5.254 37.155 -15.167 1.00 0.00 C ATOM 1544 CE1 PHE A 98 5.937 38.645 -12.897 1.00 0.00 C ATOM 1545 CE2 PHE A 98 5.087 38.545 -15.165 1.00 0.00 C ATOM 1546 CZ PHE A 98 5.427 39.290 -14.030 1.00 0.00 C ATOM 0 H PHE A 98 8.035 36.342 -13.390 1.00 0.00 H new ATOM 0 HA PHE A 98 7.530 33.597 -14.384 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.200 34.544 -14.681 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.787 34.614 -13.032 1.00 0.00 H new ATOM 0 HD1 PHE A 98 6.495 36.759 -12.023 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.989 36.580 -16.042 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.202 39.220 -12.022 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.696 39.043 -16.040 1.00 0.00 H new ATOM 0 HZ PHE A 98 5.296 40.362 -14.028 1.00 0.00 H new ATOM 1556 N SER A 99 7.267 34.061 -16.869 1.00 0.00 N ATOM 1557 CA SER A 99 7.384 34.343 -18.328 1.00 0.00 C ATOM 1558 C SER A 99 6.036 34.097 -19.010 1.00 0.00 C ATOM 1559 O SER A 99 5.534 32.991 -19.038 1.00 0.00 O ATOM 1560 CB SER A 99 8.442 33.425 -18.944 1.00 0.00 C ATOM 1561 OG SER A 99 9.396 34.207 -19.646 1.00 0.00 O ATOM 0 H SER A 99 7.016 33.102 -16.629 1.00 0.00 H new ATOM 0 HA SER A 99 7.677 35.383 -18.471 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.935 32.845 -18.164 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.971 32.712 -19.621 1.00 0.00 H new ATOM 0 HG SER A 99 10.075 33.620 -20.039 1.00 0.00 H new ATOM 1567 N ILE A 100 5.448 35.122 -19.562 1.00 0.00 N ATOM 1568 CA ILE A 100 4.136 34.955 -20.247 1.00 0.00 C ATOM 1569 C ILE A 100 4.260 33.897 -21.346 1.00 0.00 C ATOM 1570 O ILE A 100 5.244 33.838 -22.056 1.00 0.00 O ATOM 1571 CB ILE A 100 3.716 36.288 -20.870 1.00 0.00 C ATOM 1572 CG1 ILE A 100 3.270 37.249 -19.766 1.00 0.00 C ATOM 1573 CG2 ILE A 100 2.559 36.058 -21.843 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.630 38.682 -20.160 1.00 0.00 C ATOM 0 H ILE A 100 5.821 36.071 -19.568 1.00 0.00 H new ATOM 0 HA ILE A 100 3.387 34.637 -19.522 1.00 0.00 H new ATOM 0 HB ILE A 100 4.561 36.718 -21.408 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.195 37.163 -19.607 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.753 36.987 -18.825 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.261 37.009 -22.286 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.876 35.375 -22.631 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.713 35.627 -21.307 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.312 39.366 -19.373 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.708 38.762 -20.297 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.126 38.941 -21.091 1.00 0.00 H new ATOM 1586 N GLY A 101 3.266 33.064 -21.495 1.00 0.00 N ATOM 1587 CA GLY A 101 3.322 32.015 -22.553 1.00 0.00 C ATOM 1588 C GLY A 101 3.723 30.673 -21.935 1.00 0.00 C ATOM 1589 O GLY A 101 3.932 29.698 -22.629 1.00 0.00 O ATOM 0 H GLY A 101 2.417 33.065 -20.929 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.351 31.925 -23.040 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.040 32.300 -23.322 1.00 0.00 H new ATOM 1593 N LYS A 102 3.830 30.609 -20.636 1.00 0.00 N ATOM 1594 CA LYS A 102 4.215 29.324 -19.985 1.00 0.00 C ATOM 1595 C LYS A 102 3.101 28.891 -19.029 1.00 0.00 C ATOM 1596 O LYS A 102 2.003 29.410 -19.070 1.00 0.00 O ATOM 1597 CB LYS A 102 5.518 29.515 -19.206 1.00 0.00 C ATOM 1598 CG LYS A 102 6.709 29.327 -20.147 1.00 0.00 C ATOM 1599 CD LYS A 102 8.005 29.316 -19.334 1.00 0.00 C ATOM 1600 CE LYS A 102 9.104 30.040 -20.116 1.00 0.00 C ATOM 1601 NZ LYS A 102 9.282 29.386 -21.444 1.00 0.00 N ATOM 0 H LYS A 102 3.668 31.389 -19.998 1.00 0.00 H new ATOM 0 HA LYS A 102 4.362 28.557 -20.745 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.546 30.510 -18.762 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.572 28.798 -18.386 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.606 28.393 -20.699 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.735 30.131 -20.883 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.847 29.803 -18.372 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.308 28.290 -19.126 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.840 31.089 -20.248 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.040 30.014 -19.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.170 29.713 -21.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.316 28.354 -21.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.484 29.635 -22.063 1.00 0.00 H new ATOM 1615 N THR A 103 3.370 27.951 -18.164 1.00 0.00 N ATOM 1616 CA THR A 103 2.319 27.506 -17.208 1.00 0.00 C ATOM 1617 C THR A 103 2.918 27.489 -15.801 1.00 0.00 C ATOM 1618 O THR A 103 4.122 27.529 -15.645 1.00 0.00 O ATOM 1619 CB THR A 103 1.861 26.094 -17.580 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.637 26.025 -18.981 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.565 25.762 -16.836 1.00 0.00 C ATOM 0 H THR A 103 4.268 27.475 -18.079 1.00 0.00 H new ATOM 0 HA THR A 103 1.466 28.184 -17.245 1.00 0.00 H new ATOM 0 HB THR A 103 2.631 25.376 -17.299 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.345 25.121 -19.221 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.240 24.756 -17.102 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.739 25.815 -15.761 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.208 26.478 -17.114 1.00 0.00 H new ATOM 1629 N TYR A 104 2.121 27.415 -14.772 1.00 0.00 N ATOM 1630 CA TYR A 104 2.706 27.379 -13.404 1.00 0.00 C ATOM 1631 C TYR A 104 1.717 26.701 -12.452 1.00 0.00 C ATOM 1632 O TYR A 104 0.834 27.331 -11.905 1.00 0.00 O ATOM 1633 CB TYR A 104 2.992 28.804 -12.928 1.00 0.00 C ATOM 1634 CG TYR A 104 4.265 29.295 -13.575 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.442 28.543 -13.461 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.270 30.498 -14.291 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.622 28.994 -14.064 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.451 30.949 -14.894 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.627 30.197 -14.779 1.00 0.00 C ATOM 1640 OH TYR A 104 7.790 30.642 -15.373 1.00 0.00 O ATOM 0 H TYR A 104 1.103 27.378 -14.817 1.00 0.00 H new ATOM 0 HA TYR A 104 3.640 26.817 -13.419 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.161 29.461 -13.187 1.00 0.00 H new ATOM 0 HB3 TYR A 104 3.089 28.825 -11.843 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.439 27.615 -12.908 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.363 31.078 -14.378 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.529 28.414 -13.977 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.455 31.876 -15.447 1.00 0.00 H new ATOM 0 HH TYR A 104 7.570 31.163 -16.173 1.00 0.00 H new ATOM 1650 N LYS A 105 1.856 25.418 -12.260 1.00 0.00 N ATOM 1651 CA LYS A 105 0.924 24.692 -11.351 1.00 0.00 C ATOM 1652 C LYS A 105 1.640 24.376 -10.036 1.00 0.00 C ATOM 1653 O LYS A 105 2.849 24.447 -9.947 1.00 0.00 O ATOM 1654 CB LYS A 105 0.481 23.386 -12.020 1.00 0.00 C ATOM 1655 CG LYS A 105 1.618 22.364 -11.955 1.00 0.00 C ATOM 1656 CD LYS A 105 1.380 21.268 -12.995 1.00 0.00 C ATOM 1657 CE LYS A 105 2.703 20.564 -13.305 1.00 0.00 C ATOM 1658 NZ LYS A 105 3.395 21.274 -14.417 1.00 0.00 N ATOM 0 H LYS A 105 2.576 24.840 -12.694 1.00 0.00 H new ATOM 0 HA LYS A 105 0.051 25.312 -11.148 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -0.404 22.992 -11.521 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.205 23.573 -13.058 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.573 22.855 -12.141 1.00 0.00 H new ATOM 0 HG3 LYS A 105 1.672 21.928 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 105 0.652 20.549 -12.621 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.963 21.699 -13.905 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.336 20.550 -12.418 1.00 0.00 H new ATOM 0 HE3 LYS A 105 2.519 19.526 -13.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.294 20.796 -14.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 2.791 21.265 -15.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.583 22.258 -14.137 1.00 0.00 H new ATOM 1672 N PRO A 106 0.873 24.019 -8.994 1.00 0.00 N ATOM 1673 CA PRO A 106 1.434 23.690 -7.678 1.00 0.00 C ATOM 1674 C PRO A 106 2.174 22.350 -7.696 1.00 0.00 C ATOM 1675 O PRO A 106 1.816 21.441 -8.420 1.00 0.00 O ATOM 1676 CB PRO A 106 0.204 23.595 -6.776 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.919 23.258 -7.700 1.00 0.00 C ATOM 1678 CD PRO A 106 -0.597 23.909 -9.017 1.00 0.00 C ATOM 0 HA PRO A 106 2.164 24.430 -7.348 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.332 22.828 -6.012 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.021 24.535 -6.256 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -1.017 22.178 -7.814 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.868 23.624 -7.308 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.942 23.307 -9.858 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -1.072 24.886 -9.109 1.00 0.00 H new ATOM 1686 N GLU A 107 3.203 22.219 -6.905 1.00 0.00 N ATOM 1687 CA GLU A 107 3.965 20.939 -6.878 1.00 0.00 C ATOM 1688 C GLU A 107 3.391 20.027 -5.792 1.00 0.00 C ATOM 1689 O GLU A 107 2.949 20.483 -4.756 1.00 0.00 O ATOM 1690 CB GLU A 107 5.436 21.228 -6.577 1.00 0.00 C ATOM 1691 CG GLU A 107 6.034 22.066 -7.708 1.00 0.00 C ATOM 1692 CD GLU A 107 5.786 21.369 -9.046 1.00 0.00 C ATOM 1693 OE1 GLU A 107 5.622 20.159 -9.040 1.00 0.00 O ATOM 1694 OE2 GLU A 107 5.764 22.054 -10.056 1.00 0.00 O ATOM 0 H GLU A 107 3.549 22.943 -6.276 1.00 0.00 H new ATOM 0 HA GLU A 107 3.883 20.446 -7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 107 5.527 21.759 -5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.987 20.293 -6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.586 23.059 -7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.104 22.200 -7.549 1.00 0.00 H new ATOM 1701 N GLU A 108 3.395 18.743 -6.019 1.00 0.00 N ATOM 1702 CA GLU A 108 2.850 17.805 -4.998 1.00 0.00 C ATOM 1703 C GLU A 108 3.781 17.776 -3.784 1.00 0.00 C ATOM 1704 O GLU A 108 4.962 18.023 -3.962 1.00 0.00 O ATOM 1705 CB GLU A 108 2.748 16.402 -5.598 1.00 0.00 C ATOM 1706 CG GLU A 108 1.519 16.324 -6.507 1.00 0.00 C ATOM 1707 CD GLU A 108 0.250 16.467 -5.664 1.00 0.00 C ATOM 1708 OE1 GLU A 108 0.356 16.384 -4.451 1.00 0.00 O ATOM 1709 OE2 GLU A 108 -0.804 16.658 -6.246 1.00 0.00 O ATOM 1710 OXT GLU A 108 3.296 17.507 -2.698 1.00 0.00 O ATOM 0 H GLU A 108 3.752 18.303 -6.867 1.00 0.00 H new ATOM 0 HA GLU A 108 1.860 18.140 -4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.649 16.172 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.674 15.660 -4.803 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.559 17.112 -7.259 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.508 15.374 -7.041 1.00 0.00 H new TER 1717 GLU A 108