USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1087 hydrogens (9 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 NoAdj-H: B 512 PTR HN2 : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD NoAdj-H: B 512 PTR H : B 512 PTR N : B 511 GLN C :(H bumps) USER MOD Set 1.1: B 501 MET CE :methyl 151:sc= -1.25 (180deg=-2.77!) USER MOD Set 1.2: B 502 THR OG1 : rot 84:sc= 0.63 USER MOD Set 2.1: A 99 ASN : amide:sc= -0.0625 X(o=-5.8,f=-6.2!) USER MOD Set 2.2: A 102 GLN :FLIP amide:sc= -5.7! C(o=-8.9!,f=-5.8!) USER MOD Set 3.1: A 76 SER OG : rot 30:sc= 0.136 USER MOD Set 3.2: A 80 CYS SG : rot -177:sc= 0.626 USER MOD Set 4.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 58 HIS : no HD1:sc= -5.18! C(o=-5.2!,f=-14!) USER MOD Single : A 8 SER OG : rot -24:sc= 0.529 USER MOD Single : A 9 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 10 MET CE :methyl -148:sc= -0.126 (180deg=-0.744) USER MOD Single : A 12 THR OG1 : rot 53:sc= -0.855 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 17 HIS : no HD1:sc= -2.91! C(o=-2.9!,f=-4.1!) USER MOD Single : A 19 ASN : amide:sc= -0.641 K(o=-0.64,f=-2.7!) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0659) USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 0.105 (180deg=0.095) USER MOD Single : A 25 ASN : amide:sc= -0.937 K(o=-0.94,f=-3.7!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 43:sc= 0.025 USER MOD Single : A 38 MET CE :methyl 162:sc= -11.1! (180deg=-13.8!) USER MOD Single : A 41 THR OG1 : rot -75:sc= 1.22 USER MOD Single : A 48 TYR OH : rot 33:sc= 1.22 USER MOD Single : A 49 THR OG1 : rot -81:sc= -1.45! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 40:sc= 0.278 USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= -0.337 (180deg=-1.55!) USER MOD Single : A 59 TYR OH : rot 76:sc= -2.79! USER MOD Single : A 61 CYS SG : rot 180:sc= -2.73! USER MOD Single : A 65 TYR OH : rot -90:sc= 0.555 USER MOD Single : A 67 TYR OH : rot 56:sc= 1.14 USER MOD Single : A 69 SER OG : rot -62:sc= 0.137 USER MOD Single : A 70 ASN : amide:sc= -1.42 K(o=-1.4,f=-6.7!) USER MOD Single : A 73 SER OG : rot 51:sc= -3.65! USER MOD Single : A 81 GLN : amide:sc= -0.0412 X(o=-0.041,f=-0.041) USER MOD Single : A 82 THR OG1 : rot -39:sc= 1.08 USER MOD Single : A 84 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -149:sc= -0.157 (180deg=-1.76!) USER MOD Single : A 91 CYS SG : rot 59:sc= -4.32! USER MOD Single : A 100 MET CE :methyl 180:sc= -8.13! (180deg=-8.13!) USER MOD Single : A 105 MET CE :methyl -120:sc= -4.8! (180deg=-9.73!) USER MOD Single : A 106 GLN :FLIP amide:sc= -2.25! C(o=-2.8!,f=-2.2!) USER MOD Single : A 107 ASN : amide:sc= 0.707 K(o=0.71,f=-0.28) USER MOD Single : A 108 ASN :FLIP amide:sc= -2.41! C(o=-3.6!,f=-2.4!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc=-0.00642 X(o=-0.0064,f=-0.0064) USER MOD Single : A 121 ASN : amide:sc= -0.0118 X(o=-0.012,f=0) USER MOD Single : A 122 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.36) USER MOD Single : B 503 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.053) USER MOD Single : B 509 ASN : amide:sc= -3.39! C(o=-3.4!,f=-13!) USER MOD Single : B 511 GLN :FLIP amide:sc= -2.7! C(o=-4.8!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 8 1.159 19.384 17.285 1.00 0.00 N ATOM 2 CA SER A 8 2.267 19.835 16.423 1.00 0.00 C ATOM 3 C SER A 8 2.192 19.169 15.052 1.00 0.00 C ATOM 4 O SER A 8 1.938 19.833 14.048 1.00 0.00 O ATOM 5 CB SER A 8 3.604 19.547 17.111 1.00 0.00 C ATOM 6 OG SER A 8 3.529 18.367 17.896 1.00 0.00 O ATOM 0 HA SER A 8 2.183 20.910 16.266 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.387 19.440 16.361 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.881 20.391 17.743 1.00 0.00 H new ATOM 0 HG SER A 8 2.597 18.201 18.149 1.00 0.00 H new ATOM 14 N HIS A 9 2.399 17.859 15.003 1.00 0.00 N ATOM 15 CA HIS A 9 2.257 17.122 13.758 1.00 0.00 C ATOM 16 C HIS A 9 1.706 15.731 14.027 1.00 0.00 C ATOM 17 O HIS A 9 2.073 15.083 15.005 1.00 0.00 O ATOM 18 CB HIS A 9 3.576 17.057 12.978 1.00 0.00 C ATOM 19 CG HIS A 9 4.660 16.207 13.585 1.00 0.00 C ATOM 20 ND1 HIS A 9 5.756 16.733 14.237 1.00 0.00 N ATOM 21 CD2 HIS A 9 4.832 14.865 13.599 1.00 0.00 C ATOM 22 CE1 HIS A 9 6.550 15.753 14.620 1.00 0.00 C ATOM 23 NE2 HIS A 9 6.012 14.612 14.245 1.00 0.00 N ATOM 0 H HIS A 9 2.664 17.290 15.807 1.00 0.00 H new ATOM 0 HA HIS A 9 1.546 17.660 13.131 1.00 0.00 H new ATOM 0 HB2 HIS A 9 3.365 16.681 11.977 1.00 0.00 H new ATOM 0 HB3 HIS A 9 3.958 18.071 12.864 1.00 0.00 H new ATOM 0 HD2 HIS A 9 4.162 14.130 13.178 1.00 0.00 H new ATOM 0 HE1 HIS A 9 7.483 15.867 15.151 1.00 0.00 H new ATOM 0 HE2 HIS A 9 6.410 13.688 14.409 1.00 0.00 H new ATOM 32 N MET A 10 0.819 15.295 13.154 1.00 0.00 N ATOM 33 CA MET A 10 0.129 14.022 13.303 1.00 0.00 C ATOM 34 C MET A 10 -0.724 13.795 12.066 1.00 0.00 C ATOM 35 O MET A 10 -0.512 12.855 11.304 1.00 0.00 O ATOM 36 CB MET A 10 -0.748 14.041 14.564 1.00 0.00 C ATOM 37 CG MET A 10 -1.395 12.708 14.894 1.00 0.00 C ATOM 38 SD MET A 10 -2.468 12.794 16.346 1.00 0.00 S ATOM 39 CE MET A 10 -1.333 13.424 17.584 1.00 0.00 C ATOM 0 H MET A 10 0.553 15.814 12.317 1.00 0.00 H new ATOM 0 HA MET A 10 0.851 13.213 13.408 1.00 0.00 H new ATOM 0 HB2 MET A 10 -0.139 14.356 15.411 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.530 14.790 14.438 1.00 0.00 H new ATOM 0 HG2 MET A 10 -1.977 12.369 14.037 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.617 11.964 15.066 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.602 13.023 18.561 1.00 0.00 H new ATOM 0 HE2 MET A 10 -0.317 13.120 17.334 1.00 0.00 H new ATOM 0 HE3 MET A 10 -1.390 14.512 17.610 1.00 0.00 H new ATOM 49 N ASP A 11 -1.677 14.690 11.878 1.00 0.00 N ATOM 50 CA ASP A 11 -2.475 14.746 10.664 1.00 0.00 C ATOM 51 C ASP A 11 -2.738 16.203 10.331 1.00 0.00 C ATOM 52 O ASP A 11 -3.716 16.542 9.667 1.00 0.00 O ATOM 53 CB ASP A 11 -3.792 13.982 10.826 1.00 0.00 C ATOM 54 CG ASP A 11 -4.706 14.591 11.869 1.00 0.00 C ATOM 55 OD1 ASP A 11 -4.442 14.412 13.077 1.00 0.00 O ATOM 56 OD2 ASP A 11 -5.694 15.251 11.489 1.00 0.00 O ATOM 0 H ASP A 11 -1.921 15.402 12.566 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.928 14.269 9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.310 13.956 9.868 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.575 12.949 11.100 1.00 0.00 H new ATOM 61 N THR A 12 -1.838 17.054 10.814 1.00 0.00 N ATOM 62 CA THR A 12 -1.908 18.484 10.576 1.00 0.00 C ATOM 63 C THR A 12 -1.578 18.765 9.121 1.00 0.00 C ATOM 64 O THR A 12 -0.410 18.884 8.737 1.00 0.00 O ATOM 65 CB THR A 12 -0.938 19.236 11.502 1.00 0.00 C ATOM 66 OG1 THR A 12 0.348 18.596 11.507 1.00 0.00 O ATOM 67 CG2 THR A 12 -1.481 19.298 12.913 1.00 0.00 C ATOM 0 H THR A 12 -1.040 16.767 11.381 1.00 0.00 H new ATOM 0 HA THR A 12 -2.917 18.834 10.792 1.00 0.00 H new ATOM 0 HB THR A 12 -0.831 20.252 11.123 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.667 18.496 10.586 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.778 19.835 13.550 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.439 19.818 12.912 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.618 18.286 13.295 1.00 0.00 H new ATOM 75 N VAL A 13 -2.615 18.861 8.323 1.00 0.00 N ATOM 76 CA VAL A 13 -2.474 18.781 6.891 1.00 0.00 C ATOM 77 C VAL A 13 -2.279 20.135 6.227 1.00 0.00 C ATOM 78 O VAL A 13 -2.804 21.154 6.676 1.00 0.00 O ATOM 79 CB VAL A 13 -3.668 18.013 6.294 1.00 0.00 C ATOM 80 CG1 VAL A 13 -3.997 18.408 4.859 1.00 0.00 C ATOM 81 CG2 VAL A 13 -3.368 16.533 6.380 1.00 0.00 C ATOM 0 H VAL A 13 -3.573 18.996 8.646 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.557 18.230 6.682 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.554 18.271 6.875 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.848 17.825 4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.243 19.469 4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.135 18.213 4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.201 15.968 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.461 16.312 5.817 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.225 16.251 7.423 1.00 0.00 H new ATOM 91 N PRO A 14 -1.471 20.136 5.159 1.00 0.00 N ATOM 92 CA PRO A 14 -1.201 21.313 4.324 1.00 0.00 C ATOM 93 C PRO A 14 -2.444 21.742 3.540 1.00 0.00 C ATOM 94 O PRO A 14 -3.563 21.641 4.044 1.00 0.00 O ATOM 95 CB PRO A 14 -0.100 20.824 3.365 1.00 0.00 C ATOM 96 CG PRO A 14 0.417 19.560 3.968 1.00 0.00 C ATOM 97 CD PRO A 14 -0.742 18.958 4.683 1.00 0.00 C ATOM 0 HA PRO A 14 -0.910 22.184 4.911 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.499 20.648 2.366 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.693 21.565 3.266 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.798 18.886 3.201 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.240 19.760 4.654 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.352 18.344 4.021 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -0.423 18.319 5.506 1.00 0.00 H new ATOM 105 N ASP A 15 -2.250 22.239 2.318 1.00 0.00 N ATOM 106 CA ASP A 15 -3.371 22.608 1.450 1.00 0.00 C ATOM 107 C ASP A 15 -4.351 21.449 1.364 1.00 0.00 C ATOM 108 O ASP A 15 -5.525 21.576 1.715 1.00 0.00 O ATOM 109 CB ASP A 15 -2.873 22.979 0.050 1.00 0.00 C ATOM 110 CG ASP A 15 -1.984 24.202 0.059 1.00 0.00 C ATOM 111 OD1 ASP A 15 -0.781 24.066 0.356 1.00 0.00 O ATOM 112 OD2 ASP A 15 -2.488 25.313 -0.208 1.00 0.00 O ATOM 0 H ASP A 15 -1.330 22.395 1.907 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.873 23.477 1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.324 22.137 -0.372 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.729 23.160 -0.601 1.00 0.00 H new ATOM 117 N ASN A 16 -3.849 20.315 0.918 1.00 0.00 N ATOM 118 CA ASN A 16 -4.585 19.066 0.977 1.00 0.00 C ATOM 119 C ASN A 16 -3.603 17.934 1.167 1.00 0.00 C ATOM 120 O ASN A 16 -2.391 18.147 1.147 1.00 0.00 O ATOM 121 CB ASN A 16 -5.432 18.833 -0.283 1.00 0.00 C ATOM 122 CG ASN A 16 -4.609 18.785 -1.558 1.00 0.00 C ATOM 123 OD1 ASN A 16 -4.073 17.741 -1.932 1.00 0.00 O ATOM 124 ND2 ASN A 16 -4.530 19.910 -2.247 1.00 0.00 N ATOM 0 H ASN A 16 -2.920 20.232 0.505 1.00 0.00 H new ATOM 0 HA ASN A 16 -5.278 19.112 1.817 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.980 17.897 -0.177 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -6.173 19.628 -0.367 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.010 19.935 -3.124 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.989 20.753 -1.902 1.00 0.00 H new ATOM 131 N HIS A 17 -4.105 16.738 1.379 1.00 0.00 N ATOM 132 CA HIS A 17 -3.227 15.611 1.564 1.00 0.00 C ATOM 133 C HIS A 17 -3.409 14.605 0.453 1.00 0.00 C ATOM 134 O HIS A 17 -4.312 13.773 0.494 1.00 0.00 O ATOM 135 CB HIS A 17 -3.431 14.959 2.910 1.00 0.00 C ATOM 136 CG HIS A 17 -2.139 14.662 3.612 1.00 0.00 C ATOM 137 ND1 HIS A 17 -1.783 13.411 4.075 1.00 0.00 N ATOM 138 CD2 HIS A 17 -1.116 15.483 3.937 1.00 0.00 C ATOM 139 CE1 HIS A 17 -0.598 13.480 4.650 1.00 0.00 C ATOM 140 NE2 HIS A 17 -0.168 14.725 4.581 1.00 0.00 N ATOM 0 H HIS A 17 -5.101 16.525 1.427 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.204 15.985 1.532 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -4.038 15.612 3.537 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.990 14.032 2.779 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.055 16.541 3.729 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -0.068 12.655 5.102 1.00 0.00 H new ATOM 0 HE2 HIS A 17 0.721 15.068 4.945 1.00 0.00 H new ATOM 149 N ARG A 18 -2.550 14.725 -0.549 1.00 0.00 N ATOM 150 CA ARG A 18 -2.453 13.757 -1.631 1.00 0.00 C ATOM 151 C ARG A 18 -2.380 12.356 -1.072 1.00 0.00 C ATOM 152 O ARG A 18 -3.009 11.442 -1.564 1.00 0.00 O ATOM 153 CB ARG A 18 -1.185 14.045 -2.429 1.00 0.00 C ATOM 154 CG ARG A 18 -0.936 13.099 -3.591 1.00 0.00 C ATOM 155 CD ARG A 18 0.060 12.067 -3.225 1.00 0.00 C ATOM 156 NE ARG A 18 1.368 12.614 -2.868 1.00 0.00 N ATOM 157 CZ ARG A 18 2.499 12.310 -3.499 1.00 0.00 C ATOM 158 NH1 ARG A 18 2.466 11.603 -4.625 1.00 0.00 N ATOM 159 NH2 ARG A 18 3.660 12.727 -3.012 1.00 0.00 N ATOM 0 H ARG A 18 -1.896 15.503 -0.634 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.332 13.837 -2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.237 15.064 -2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.330 14.002 -1.754 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.871 12.621 -3.883 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.582 13.662 -4.455 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.323 11.487 -2.386 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.180 11.378 -4.061 1.00 0.00 H new ATOM 0 HE ARG A 18 1.416 13.269 -2.087 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.572 11.293 -5.006 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.334 11.371 -5.107 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.685 13.280 -2.155 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.528 12.495 -3.494 1.00 0.00 H new ATOM 173 N ASN A 19 -1.617 12.217 -0.020 1.00 0.00 N ATOM 174 CA ASN A 19 -1.239 10.920 0.489 1.00 0.00 C ATOM 175 C ASN A 19 -2.300 10.299 1.405 1.00 0.00 C ATOM 176 O ASN A 19 -2.408 9.077 1.488 1.00 0.00 O ATOM 177 CB ASN A 19 0.077 11.095 1.228 1.00 0.00 C ATOM 178 CG ASN A 19 1.262 11.322 0.311 1.00 0.00 C ATOM 179 OD1 ASN A 19 1.502 12.440 -0.131 1.00 0.00 O ATOM 180 ND2 ASN A 19 2.039 10.286 0.061 1.00 0.00 N ATOM 0 H ASN A 19 -1.238 13.001 0.511 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.139 10.226 -0.345 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.009 11.939 1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 19 0.263 10.210 1.836 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.871 10.401 -0.517 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.808 9.370 0.446 1.00 0.00 H new ATOM 187 N LYS A 20 -3.083 11.124 2.090 1.00 0.00 N ATOM 188 CA LYS A 20 -4.131 10.598 2.965 1.00 0.00 C ATOM 189 C LYS A 20 -5.379 10.333 2.132 1.00 0.00 C ATOM 190 O LYS A 20 -6.095 11.260 1.760 1.00 0.00 O ATOM 191 CB LYS A 20 -4.439 11.611 4.089 1.00 0.00 C ATOM 192 CG LYS A 20 -5.609 11.239 4.996 1.00 0.00 C ATOM 193 CD LYS A 20 -5.240 10.236 6.062 1.00 0.00 C ATOM 194 CE LYS A 20 -4.335 10.808 7.128 1.00 0.00 C ATOM 195 NZ LYS A 20 -5.032 11.789 7.999 1.00 0.00 N ATOM 0 H LYS A 20 -3.017 12.141 2.061 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.797 9.668 3.426 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.547 11.730 4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.645 12.581 3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.992 12.141 5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.417 10.832 4.388 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.150 9.861 6.530 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.747 9.383 5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.943 9.997 7.741 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.480 11.291 6.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.413 12.050 8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.264 12.639 7.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.907 11.365 8.367 1.00 0.00 H new ATOM 209 N PHE A 21 -5.634 9.065 1.840 1.00 0.00 N ATOM 210 CA PHE A 21 -6.810 8.691 1.069 1.00 0.00 C ATOM 211 C PHE A 21 -7.773 7.852 1.877 1.00 0.00 C ATOM 212 O PHE A 21 -7.410 6.806 2.387 1.00 0.00 O ATOM 213 CB PHE A 21 -6.394 7.921 -0.179 1.00 0.00 C ATOM 214 CG PHE A 21 -5.869 8.784 -1.281 1.00 0.00 C ATOM 215 CD1 PHE A 21 -6.246 10.116 -1.408 1.00 0.00 C ATOM 216 CD2 PHE A 21 -4.993 8.258 -2.199 1.00 0.00 C ATOM 217 CE1 PHE A 21 -5.746 10.887 -2.435 1.00 0.00 C ATOM 218 CE2 PHE A 21 -4.497 9.012 -3.211 1.00 0.00 C ATOM 219 CZ PHE A 21 -4.866 10.330 -3.339 1.00 0.00 C ATOM 0 H PHE A 21 -5.045 8.282 2.124 1.00 0.00 H new ATOM 0 HA PHE A 21 -7.319 9.613 0.787 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.630 7.193 0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -7.252 7.359 -0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -6.935 10.549 -0.698 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.694 7.224 -2.113 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -6.042 11.921 -2.531 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -3.809 8.575 -3.920 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.468 10.928 -4.145 1.00 0.00 H new ATOM 229 N LYS A 22 -9.001 8.310 1.983 1.00 0.00 N ATOM 230 CA LYS A 22 -10.042 7.535 2.630 1.00 0.00 C ATOM 231 C LYS A 22 -10.397 6.315 1.792 1.00 0.00 C ATOM 232 O LYS A 22 -11.029 6.430 0.741 1.00 0.00 O ATOM 233 CB LYS A 22 -11.274 8.395 2.846 1.00 0.00 C ATOM 234 CG LYS A 22 -11.406 8.949 4.242 1.00 0.00 C ATOM 235 CD LYS A 22 -11.675 7.857 5.261 1.00 0.00 C ATOM 236 CE LYS A 22 -13.054 7.251 5.093 1.00 0.00 C ATOM 237 NZ LYS A 22 -13.325 6.218 6.123 1.00 0.00 N ATOM 0 H LYS A 22 -9.306 9.217 1.629 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.672 7.196 3.597 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.253 9.224 2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.160 7.804 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.492 9.479 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.216 9.678 4.268 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.921 7.076 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.579 8.268 6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.807 8.036 5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.139 6.808 4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.225 5.742 5.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.555 5.519 6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.386 6.668 7.059 1.00 0.00 H new ATOM 251 N VAL A 23 -9.964 5.153 2.245 1.00 0.00 N ATOM 252 CA VAL A 23 -10.278 3.915 1.570 1.00 0.00 C ATOM 253 C VAL A 23 -11.416 3.215 2.287 1.00 0.00 C ATOM 254 O VAL A 23 -11.888 3.665 3.325 1.00 0.00 O ATOM 255 CB VAL A 23 -9.048 2.980 1.514 1.00 0.00 C ATOM 256 CG1 VAL A 23 -7.886 3.684 0.850 1.00 0.00 C ATOM 257 CG2 VAL A 23 -8.654 2.517 2.901 1.00 0.00 C ATOM 0 H VAL A 23 -9.391 5.044 3.082 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.575 4.152 0.548 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.315 2.103 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.026 3.015 0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -8.164 3.968 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.629 4.577 1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.786 1.861 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.407 3.382 3.517 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.484 1.975 3.353 1.00 0.00 H new ATOM 267 N ILE A 24 -11.878 2.133 1.730 1.00 0.00 N ATOM 268 CA ILE A 24 -12.843 1.308 2.406 1.00 0.00 C ATOM 269 C ILE A 24 -12.257 -0.068 2.634 1.00 0.00 C ATOM 270 O ILE A 24 -12.124 -0.830 1.694 1.00 0.00 O ATOM 271 CB ILE A 24 -14.120 1.131 1.595 1.00 0.00 C ATOM 272 CG1 ILE A 24 -14.873 2.427 1.391 1.00 0.00 C ATOM 273 CG2 ILE A 24 -15.015 0.166 2.296 1.00 0.00 C ATOM 274 CD1 ILE A 24 -15.658 2.417 0.102 1.00 0.00 C ATOM 0 H ILE A 24 -11.602 1.799 0.807 1.00 0.00 H new ATOM 0 HA ILE A 24 -13.085 1.806 3.345 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.826 0.762 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -15.551 2.590 2.229 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -14.170 3.260 1.383 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -15.931 0.035 1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.508 -0.794 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -15.261 0.551 3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -16.186 3.364 -0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -14.977 2.280 -0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -16.379 1.600 0.122 1.00 0.00 H new ATOM 286 N ASN A 25 -11.898 -0.403 3.851 1.00 0.00 N ATOM 287 CA ASN A 25 -11.397 -1.737 4.101 1.00 0.00 C ATOM 288 C ASN A 25 -12.493 -2.754 3.789 1.00 0.00 C ATOM 289 O ASN A 25 -13.547 -2.778 4.436 1.00 0.00 O ATOM 290 CB ASN A 25 -10.867 -1.844 5.539 1.00 0.00 C ATOM 291 CG ASN A 25 -11.020 -3.214 6.184 1.00 0.00 C ATOM 292 OD1 ASN A 25 -10.971 -4.252 5.528 1.00 0.00 O ATOM 293 ND2 ASN A 25 -11.205 -3.222 7.495 1.00 0.00 N ATOM 0 H ASN A 25 -11.940 0.210 4.665 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.554 -1.956 3.446 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.811 -1.575 5.541 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.385 -1.109 6.156 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.312 -4.108 7.990 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -11.241 -2.343 8.010 1.00 0.00 H new ATOM 300 N VAL A 26 -12.243 -3.555 2.759 1.00 0.00 N ATOM 301 CA VAL A 26 -13.230 -4.484 2.230 1.00 0.00 C ATOM 302 C VAL A 26 -12.593 -5.861 2.096 1.00 0.00 C ATOM 303 O VAL A 26 -11.522 -5.998 1.509 1.00 0.00 O ATOM 304 CB VAL A 26 -13.738 -3.982 0.860 1.00 0.00 C ATOM 305 CG1 VAL A 26 -14.533 -2.702 1.039 1.00 0.00 C ATOM 306 CG2 VAL A 26 -12.596 -3.731 -0.097 1.00 0.00 C ATOM 0 H VAL A 26 -11.349 -3.577 2.268 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.081 -4.550 2.908 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.375 -4.760 0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.887 -2.355 0.068 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.386 -2.892 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.897 -1.938 1.487 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.991 -3.379 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.930 -2.976 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.042 -4.657 -0.253 1.00 0.00 H new ATOM 316 N ASP A 27 -13.229 -6.894 2.623 1.00 0.00 N ATOM 317 CA ASP A 27 -12.558 -8.183 2.672 1.00 0.00 C ATOM 318 C ASP A 27 -13.330 -9.294 1.982 1.00 0.00 C ATOM 319 O ASP A 27 -14.496 -9.540 2.283 1.00 0.00 O ATOM 320 CB ASP A 27 -12.251 -8.567 4.122 1.00 0.00 C ATOM 321 CG ASP A 27 -11.713 -9.977 4.258 1.00 0.00 C ATOM 322 OD1 ASP A 27 -10.657 -10.283 3.666 1.00 0.00 O ATOM 323 OD2 ASP A 27 -12.335 -10.783 4.981 1.00 0.00 O ATOM 0 H ASP A 27 -14.173 -6.871 3.009 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.627 -8.067 2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.525 -7.865 4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.159 -8.471 4.718 1.00 0.00 H new ATOM 328 N ASP A 28 -12.627 -9.949 1.050 1.00 0.00 N ATOM 329 CA ASP A 28 -13.097 -11.134 0.306 1.00 0.00 C ATOM 330 C ASP A 28 -14.461 -10.931 -0.373 1.00 0.00 C ATOM 331 O ASP A 28 -14.984 -11.838 -1.009 1.00 0.00 O ATOM 332 CB ASP A 28 -13.148 -12.346 1.246 1.00 0.00 C ATOM 333 CG ASP A 28 -13.331 -13.660 0.509 1.00 0.00 C ATOM 334 OD1 ASP A 28 -12.333 -14.202 -0.013 1.00 0.00 O ATOM 335 OD2 ASP A 28 -14.468 -14.170 0.461 1.00 0.00 O ATOM 0 H ASP A 28 -11.685 -9.663 0.781 1.00 0.00 H new ATOM 0 HA ASP A 28 -12.380 -11.307 -0.497 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -12.227 -12.387 1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -13.966 -12.216 1.954 1.00 0.00 H new ATOM 340 N ASP A 29 -15.005 -9.731 -0.289 1.00 0.00 N ATOM 341 CA ASP A 29 -16.313 -9.445 -0.863 1.00 0.00 C ATOM 342 C ASP A 29 -16.359 -8.030 -1.412 1.00 0.00 C ATOM 343 O ASP A 29 -17.336 -7.624 -2.033 1.00 0.00 O ATOM 344 CB ASP A 29 -17.419 -9.617 0.183 1.00 0.00 C ATOM 345 CG ASP A 29 -17.680 -11.066 0.532 1.00 0.00 C ATOM 346 OD1 ASP A 29 -18.450 -11.728 -0.194 1.00 0.00 O ATOM 347 OD2 ASP A 29 -17.123 -11.549 1.538 1.00 0.00 O ATOM 0 H ASP A 29 -14.563 -8.935 0.171 1.00 0.00 H new ATOM 0 HA ASP A 29 -16.478 -10.153 -1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.144 -9.075 1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.339 -9.167 -0.191 1.00 0.00 H new ATOM 352 N GLY A 30 -15.282 -7.287 -1.181 1.00 0.00 N ATOM 353 CA GLY A 30 -15.257 -5.873 -1.519 1.00 0.00 C ATOM 354 C GLY A 30 -16.266 -5.112 -0.695 1.00 0.00 C ATOM 355 O GLY A 30 -16.672 -4.009 -1.050 1.00 0.00 O ATOM 0 H GLY A 30 -14.421 -7.640 -0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -14.259 -5.470 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -15.473 -5.743 -2.579 1.00 0.00 H new ATOM 359 N ASN A 31 -16.646 -5.708 0.428 1.00 0.00 N ATOM 360 CA ASN A 31 -17.672 -5.148 1.282 1.00 0.00 C ATOM 361 C ASN A 31 -17.055 -4.201 2.275 1.00 0.00 C ATOM 362 O ASN A 31 -16.088 -4.565 2.938 1.00 0.00 O ATOM 363 CB ASN A 31 -18.410 -6.256 2.030 1.00 0.00 C ATOM 364 CG ASN A 31 -19.851 -5.892 2.327 1.00 0.00 C ATOM 365 OD1 ASN A 31 -20.157 -5.284 3.353 1.00 0.00 O ATOM 366 ND2 ASN A 31 -20.743 -6.267 1.430 1.00 0.00 N ATOM 0 H ASN A 31 -16.252 -6.586 0.766 1.00 0.00 H new ATOM 0 HA ASN A 31 -18.382 -4.608 0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -18.384 -7.170 1.437 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -17.891 -6.467 2.965 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -21.730 -6.055 1.573 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -20.445 -6.769 0.594 1.00 0.00 H new ATOM 373 N GLU A 32 -17.565 -2.970 2.320 1.00 0.00 N ATOM 374 CA GLU A 32 -17.119 -1.979 3.288 1.00 0.00 C ATOM 375 C GLU A 32 -17.286 -2.488 4.729 1.00 0.00 C ATOM 376 O GLU A 32 -18.204 -2.070 5.437 1.00 0.00 O ATOM 377 CB GLU A 32 -17.932 -0.688 3.133 1.00 0.00 C ATOM 378 CG GLU A 32 -18.150 -0.264 1.691 1.00 0.00 C ATOM 379 CD GLU A 32 -19.004 0.974 1.559 1.00 0.00 C ATOM 380 OE1 GLU A 32 -18.928 1.857 2.440 1.00 0.00 O ATOM 381 OE2 GLU A 32 -19.755 1.073 0.573 1.00 0.00 O ATOM 0 H GLU A 32 -18.294 -2.637 1.689 1.00 0.00 H new ATOM 0 HA GLU A 32 -16.063 -1.789 3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.902 -0.822 3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.422 0.116 3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.183 -0.082 1.222 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.620 -1.082 1.145 1.00 0.00 H new ATOM 388 N LEU A 33 -16.399 -3.375 5.155 1.00 0.00 N ATOM 389 CA LEU A 33 -16.460 -3.961 6.489 1.00 0.00 C ATOM 390 C LEU A 33 -16.026 -2.944 7.525 1.00 0.00 C ATOM 391 O LEU A 33 -16.481 -2.957 8.670 1.00 0.00 O ATOM 392 CB LEU A 33 -15.574 -5.208 6.551 1.00 0.00 C ATOM 393 CG LEU A 33 -16.264 -6.537 6.225 1.00 0.00 C ATOM 394 CD1 LEU A 33 -17.418 -6.321 5.276 1.00 0.00 C ATOM 395 CD2 LEU A 33 -15.283 -7.489 5.581 1.00 0.00 C ATOM 0 H LEU A 33 -15.619 -3.709 4.589 1.00 0.00 H new ATOM 0 HA LEU A 33 -17.487 -4.254 6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -14.742 -5.074 5.859 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -15.148 -5.278 7.552 1.00 0.00 H new ATOM 0 HG LEU A 33 -16.636 -6.959 7.159 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -17.894 -7.277 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -18.145 -5.650 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -17.050 -5.879 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -15.785 -8.430 5.354 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -14.901 -7.050 4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -14.455 -7.675 6.265 1.00 0.00 H new ATOM 407 N GLY A 34 -15.141 -2.062 7.104 1.00 0.00 N ATOM 408 CA GLY A 34 -14.698 -0.977 7.941 1.00 0.00 C ATOM 409 C GLY A 34 -13.927 0.027 7.130 1.00 0.00 C ATOM 410 O GLY A 34 -12.707 -0.075 7.012 1.00 0.00 O ATOM 0 H GLY A 34 -14.714 -2.081 6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.557 -0.495 8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.072 -1.362 8.746 1.00 0.00 H new ATOM 414 N SER A 35 -14.626 0.989 6.549 1.00 0.00 N ATOM 415 CA SER A 35 -13.993 1.903 5.624 1.00 0.00 C ATOM 416 C SER A 35 -12.944 2.758 6.343 1.00 0.00 C ATOM 417 O SER A 35 -13.248 3.514 7.269 1.00 0.00 O ATOM 418 CB SER A 35 -15.040 2.746 4.887 1.00 0.00 C ATOM 419 OG SER A 35 -15.937 3.374 5.790 1.00 0.00 O ATOM 0 H SER A 35 -15.621 1.153 6.702 1.00 0.00 H new ATOM 0 HA SER A 35 -13.465 1.327 4.864 1.00 0.00 H new ATOM 0 HB2 SER A 35 -14.539 3.504 4.285 1.00 0.00 H new ATOM 0 HB3 SER A 35 -15.600 2.112 4.200 1.00 0.00 H new ATOM 0 HG SER A 35 -15.435 3.740 6.548 1.00 0.00 H new ATOM 425 N GLY A 36 -11.706 2.614 5.899 1.00 0.00 N ATOM 426 CA GLY A 36 -10.575 3.175 6.602 1.00 0.00 C ATOM 427 C GLY A 36 -9.981 4.370 5.882 1.00 0.00 C ATOM 428 O GLY A 36 -10.644 5.035 5.097 1.00 0.00 O ATOM 0 H GLY A 36 -11.463 2.108 5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -10.885 3.475 7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.809 2.409 6.722 1.00 0.00 H new ATOM 432 N ILE A 37 -8.743 4.654 6.195 1.00 0.00 N ATOM 433 CA ILE A 37 -7.907 5.537 5.413 1.00 0.00 C ATOM 434 C ILE A 37 -6.792 4.700 4.842 1.00 0.00 C ATOM 435 O ILE A 37 -6.529 3.642 5.342 1.00 0.00 O ATOM 436 CB ILE A 37 -7.231 6.610 6.290 1.00 0.00 C ATOM 437 CG1 ILE A 37 -8.225 7.594 6.896 1.00 0.00 C ATOM 438 CG2 ILE A 37 -6.201 7.383 5.488 1.00 0.00 C ATOM 439 CD1 ILE A 37 -8.621 8.718 5.962 1.00 0.00 C ATOM 0 H ILE A 37 -8.275 4.272 7.017 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.526 6.022 4.659 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.750 6.073 7.108 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.121 7.051 7.197 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.793 8.022 7.801 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.735 8.136 6.124 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.438 6.697 5.118 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.689 7.872 4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.330 9.376 6.465 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.735 9.287 5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -9.084 8.302 5.067 1.00 0.00 H new ATOM 451 N MET A 38 -6.141 5.164 3.826 1.00 0.00 N ATOM 452 CA MET A 38 -4.880 4.613 3.448 1.00 0.00 C ATOM 453 C MET A 38 -3.910 5.758 3.262 1.00 0.00 C ATOM 454 O MET A 38 -3.813 6.356 2.192 1.00 0.00 O ATOM 455 CB MET A 38 -5.018 3.754 2.217 1.00 0.00 C ATOM 456 CG MET A 38 -3.800 2.941 1.935 1.00 0.00 C ATOM 457 SD MET A 38 -3.428 1.818 3.272 1.00 0.00 S ATOM 458 CE MET A 38 -5.028 1.037 3.379 1.00 0.00 C ATOM 0 H MET A 38 -6.465 5.931 3.237 1.00 0.00 H new ATOM 0 HA MET A 38 -4.496 3.952 4.225 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.872 3.088 2.339 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.230 4.391 1.358 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.946 2.375 1.015 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.951 3.604 1.770 1.00 0.00 H new ATOM 0 HE1 MET A 38 -4.938 0.096 3.921 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.719 1.695 3.906 1.00 0.00 H new ATOM 0 HE3 MET A 38 -5.406 0.843 2.375 1.00 0.00 H new ATOM 468 N GLU A 39 -3.244 6.089 4.357 1.00 0.00 N ATOM 469 CA GLU A 39 -2.321 7.191 4.410 1.00 0.00 C ATOM 470 C GLU A 39 -1.005 6.752 3.793 1.00 0.00 C ATOM 471 O GLU A 39 -0.185 6.096 4.441 1.00 0.00 O ATOM 472 CB GLU A 39 -2.094 7.573 5.866 1.00 0.00 C ATOM 473 CG GLU A 39 -0.937 8.526 6.090 1.00 0.00 C ATOM 474 CD GLU A 39 -1.373 9.902 6.535 1.00 0.00 C ATOM 475 OE1 GLU A 39 -1.667 10.753 5.666 1.00 0.00 O ATOM 476 OE2 GLU A 39 -1.438 10.132 7.763 1.00 0.00 O ATOM 0 H GLU A 39 -3.337 5.588 5.241 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.719 8.046 3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.004 8.028 6.256 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.919 6.666 6.444 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.268 8.104 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.365 8.615 5.167 1.00 0.00 H new ATOM 483 N LEU A 40 -0.828 7.067 2.539 1.00 0.00 N ATOM 484 CA LEU A 40 0.365 6.680 1.834 1.00 0.00 C ATOM 485 C LEU A 40 1.543 7.541 2.257 1.00 0.00 C ATOM 486 O LEU A 40 1.471 8.759 2.205 1.00 0.00 O ATOM 487 CB LEU A 40 0.126 6.810 0.338 1.00 0.00 C ATOM 488 CG LEU A 40 -0.225 5.516 -0.382 1.00 0.00 C ATOM 489 CD1 LEU A 40 -0.481 5.787 -1.843 1.00 0.00 C ATOM 490 CD2 LEU A 40 0.913 4.525 -0.239 1.00 0.00 C ATOM 0 H LEU A 40 -1.499 7.594 1.981 1.00 0.00 H new ATOM 0 HA LEU A 40 0.602 5.644 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.680 7.526 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.021 7.230 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.127 5.098 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.731 4.854 -2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.310 6.487 -1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.413 6.216 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.657 3.600 -0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.819 4.946 -0.675 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.082 4.315 0.817 1.00 0.00 H new ATOM 502 N THR A 41 2.616 6.914 2.701 1.00 0.00 N ATOM 503 CA THR A 41 3.814 7.655 3.045 1.00 0.00 C ATOM 504 C THR A 41 5.044 6.994 2.434 1.00 0.00 C ATOM 505 O THR A 41 4.907 6.068 1.641 1.00 0.00 O ATOM 506 CB THR A 41 4.000 7.796 4.559 1.00 0.00 C ATOM 507 OG1 THR A 41 4.246 6.524 5.168 1.00 0.00 O ATOM 508 CG2 THR A 41 2.784 8.446 5.203 1.00 0.00 C ATOM 0 H THR A 41 2.683 5.905 2.831 1.00 0.00 H new ATOM 0 HA THR A 41 3.694 8.657 2.633 1.00 0.00 H new ATOM 0 HB THR A 41 4.867 8.437 4.721 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.409 6.015 5.213 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.944 8.533 6.278 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.633 9.438 4.777 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.902 7.833 5.016 1.00 0.00 H new ATOM 516 N ASP A 42 6.235 7.459 2.820 1.00 0.00 N ATOM 517 CA ASP A 42 7.493 6.968 2.242 1.00 0.00 C ATOM 518 C ASP A 42 7.582 5.470 2.320 1.00 0.00 C ATOM 519 O ASP A 42 7.879 4.805 1.334 1.00 0.00 O ATOM 520 CB ASP A 42 8.719 7.540 2.961 1.00 0.00 C ATOM 521 CG ASP A 42 8.508 8.948 3.483 1.00 0.00 C ATOM 522 OD1 ASP A 42 7.885 9.104 4.557 1.00 0.00 O ATOM 523 OD2 ASP A 42 8.960 9.909 2.827 1.00 0.00 O ATOM 0 H ASP A 42 6.357 8.178 3.533 1.00 0.00 H new ATOM 0 HA ASP A 42 7.490 7.297 1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.980 6.887 3.794 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.567 7.538 2.276 1.00 0.00 H new ATOM 528 N THR A 43 7.352 4.924 3.487 1.00 0.00 N ATOM 529 CA THR A 43 7.547 3.512 3.644 1.00 0.00 C ATOM 530 C THR A 43 6.384 2.848 4.332 1.00 0.00 C ATOM 531 O THR A 43 6.433 1.658 4.588 1.00 0.00 O ATOM 532 CB THR A 43 8.799 3.204 4.469 1.00 0.00 C ATOM 533 OG1 THR A 43 8.593 3.552 5.846 1.00 0.00 O ATOM 534 CG2 THR A 43 10.000 3.968 3.957 1.00 0.00 C ATOM 0 H THR A 43 7.038 5.422 4.320 1.00 0.00 H new ATOM 0 HA THR A 43 7.650 3.121 2.632 1.00 0.00 H new ATOM 0 HB THR A 43 8.988 2.134 4.377 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.402 3.347 6.360 1.00 0.00 H new ATOM 0 HG21 THR A 43 10.872 3.726 4.565 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.193 3.691 2.921 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.802 5.038 4.016 1.00 0.00 H new ATOM 542 N GLU A 44 5.357 3.594 4.652 1.00 0.00 N ATOM 543 CA GLU A 44 4.261 3.034 5.409 1.00 0.00 C ATOM 544 C GLU A 44 2.924 3.440 4.845 1.00 0.00 C ATOM 545 O GLU A 44 2.636 4.617 4.637 1.00 0.00 O ATOM 546 CB GLU A 44 4.351 3.447 6.869 1.00 0.00 C ATOM 547 CG GLU A 44 5.233 2.561 7.723 1.00 0.00 C ATOM 548 CD GLU A 44 5.713 3.277 8.965 1.00 0.00 C ATOM 549 OE1 GLU A 44 6.383 4.323 8.820 1.00 0.00 O ATOM 550 OE2 GLU A 44 5.414 2.814 10.084 1.00 0.00 O ATOM 0 H GLU A 44 5.255 4.578 4.405 1.00 0.00 H new ATOM 0 HA GLU A 44 4.342 1.949 5.336 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.726 4.469 6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.347 3.454 7.293 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.680 1.666 8.010 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.092 2.231 7.138 1.00 0.00 H new ATOM 557 N LEU A 45 2.130 2.444 4.585 1.00 0.00 N ATOM 558 CA LEU A 45 0.765 2.626 4.191 1.00 0.00 C ATOM 559 C LEU A 45 -0.115 2.630 5.417 1.00 0.00 C ATOM 560 O LEU A 45 -0.557 1.591 5.897 1.00 0.00 O ATOM 561 CB LEU A 45 0.402 1.514 3.227 1.00 0.00 C ATOM 562 CG LEU A 45 0.549 1.857 1.780 1.00 0.00 C ATOM 563 CD1 LEU A 45 0.952 0.639 0.997 1.00 0.00 C ATOM 564 CD2 LEU A 45 -0.752 2.367 1.269 1.00 0.00 C ATOM 0 H LEU A 45 2.417 1.467 4.642 1.00 0.00 H new ATOM 0 HA LEU A 45 0.620 3.582 3.688 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.026 0.647 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.631 1.217 3.411 1.00 0.00 H new ATOM 0 HG LEU A 45 1.320 2.619 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.056 0.901 -0.056 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.904 0.263 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.189 -0.132 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.654 2.620 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.516 1.599 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.040 3.256 1.830 1.00 0.00 H new ATOM 576 N ILE A 46 -0.341 3.819 5.930 1.00 0.00 N ATOM 577 CA ILE A 46 -0.999 3.982 7.201 1.00 0.00 C ATOM 578 C ILE A 46 -2.532 4.004 7.011 1.00 0.00 C ATOM 579 O ILE A 46 -3.140 5.046 6.799 1.00 0.00 O ATOM 580 CB ILE A 46 -0.491 5.274 7.903 1.00 0.00 C ATOM 581 CG1 ILE A 46 1.019 5.242 8.078 1.00 0.00 C ATOM 582 CG2 ILE A 46 -1.164 5.441 9.229 1.00 0.00 C ATOM 583 CD1 ILE A 46 1.539 3.876 8.369 1.00 0.00 C ATOM 0 H ILE A 46 -0.074 4.694 5.478 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.757 3.135 7.843 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.741 6.126 7.270 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.493 5.621 7.172 1.00 0.00 H new ATOM 0 HG13 ILE A 46 1.300 5.913 8.890 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.800 6.349 9.710 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.242 5.515 9.083 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.941 4.581 9.861 1.00 0.00 H new ATOM 0 HD11 ILE A 46 2.622 3.916 8.484 1.00 0.00 H new ATOM 0 HD12 ILE A 46 1.090 3.504 9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.286 3.207 7.546 1.00 0.00 H new ATOM 595 N LEU A 47 -3.149 2.834 7.103 1.00 0.00 N ATOM 596 CA LEU A 47 -4.597 2.685 6.947 1.00 0.00 C ATOM 597 C LEU A 47 -5.312 3.102 8.234 1.00 0.00 C ATOM 598 O LEU A 47 -5.186 2.429 9.247 1.00 0.00 O ATOM 599 CB LEU A 47 -4.943 1.221 6.707 1.00 0.00 C ATOM 600 CG LEU A 47 -6.410 0.814 6.955 1.00 0.00 C ATOM 601 CD1 LEU A 47 -7.308 1.030 5.746 1.00 0.00 C ATOM 602 CD2 LEU A 47 -6.439 -0.630 7.317 1.00 0.00 C ATOM 0 H LEU A 47 -2.662 1.957 7.288 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.910 3.308 6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.690 0.975 5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.306 0.610 7.347 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.793 1.447 7.755 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -8.325 0.723 5.989 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.302 2.085 5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.940 0.436 4.909 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.469 -0.939 7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.021 -1.218 6.500 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.849 -0.791 8.219 1.00 0.00 H new ATOM 614 N TYR A 48 -6.077 4.171 8.217 1.00 0.00 N ATOM 615 CA TYR A 48 -6.811 4.542 9.426 1.00 0.00 C ATOM 616 C TYR A 48 -8.127 3.787 9.452 1.00 0.00 C ATOM 617 O TYR A 48 -9.089 4.217 8.825 1.00 0.00 O ATOM 618 CB TYR A 48 -7.119 6.037 9.489 1.00 0.00 C ATOM 619 CG TYR A 48 -5.925 6.907 9.679 1.00 0.00 C ATOM 620 CD1 TYR A 48 -4.874 6.760 8.840 1.00 0.00 C ATOM 621 CD2 TYR A 48 -5.854 7.873 10.672 1.00 0.00 C ATOM 622 CE1 TYR A 48 -3.768 7.521 8.942 1.00 0.00 C ATOM 623 CE2 TYR A 48 -4.730 8.665 10.799 1.00 0.00 C ATOM 624 CZ TYR A 48 -3.681 8.484 9.923 1.00 0.00 C ATOM 625 OH TYR A 48 -2.553 9.267 10.025 1.00 0.00 O ATOM 0 H TYR A 48 -6.211 4.786 7.414 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.182 4.290 10.279 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.623 6.330 8.568 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -7.817 6.217 10.306 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.924 6.010 8.065 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.684 8.007 11.350 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.948 7.376 8.254 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.673 9.416 11.574 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.178 9.418 9.132 1.00 0.00 H new ATOM 635 N THR A 49 -8.193 2.688 10.178 1.00 0.00 N ATOM 636 CA THR A 49 -9.405 1.876 10.186 1.00 0.00 C ATOM 637 C THR A 49 -10.541 2.570 10.922 1.00 0.00 C ATOM 638 O THR A 49 -10.382 3.687 11.420 1.00 0.00 O ATOM 639 CB THR A 49 -9.180 0.517 10.831 1.00 0.00 C ATOM 640 OG1 THR A 49 -8.415 0.676 12.012 1.00 0.00 O ATOM 641 CG2 THR A 49 -8.491 -0.424 9.876 1.00 0.00 C ATOM 0 H THR A 49 -7.436 2.336 10.764 1.00 0.00 H new ATOM 0 HA THR A 49 -9.674 1.738 9.139 1.00 0.00 H new ATOM 0 HB THR A 49 -10.147 0.083 11.086 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.467 0.760 11.779 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.341 -1.389 10.360 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.108 -0.556 8.987 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.525 -0.008 9.589 1.00 0.00 H new ATOM 649 N ARG A 50 -11.684 1.906 10.993 1.00 0.00 N ATOM 650 CA ARG A 50 -12.817 2.440 11.716 1.00 0.00 C ATOM 651 C ARG A 50 -12.485 2.608 13.189 1.00 0.00 C ATOM 652 O ARG A 50 -12.341 3.731 13.668 1.00 0.00 O ATOM 653 CB ARG A 50 -14.018 1.527 11.544 1.00 0.00 C ATOM 654 CG ARG A 50 -15.213 2.240 10.964 1.00 0.00 C ATOM 655 CD ARG A 50 -16.414 2.064 11.859 1.00 0.00 C ATOM 656 NE ARG A 50 -17.523 2.938 11.491 1.00 0.00 N ATOM 657 CZ ARG A 50 -18.290 3.559 12.386 1.00 0.00 C ATOM 658 NH1 ARG A 50 -18.100 3.343 13.682 1.00 0.00 N ATOM 659 NH2 ARG A 50 -19.265 4.367 11.987 1.00 0.00 N ATOM 0 H ARG A 50 -11.847 0.998 10.558 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.058 3.422 11.309 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.746 0.695 10.895 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.288 1.102 12.511 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.991 3.301 10.847 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -15.431 1.849 9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -16.745 1.026 11.816 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.126 2.264 12.891 1.00 0.00 H new ATOM 0 HE ARG A 50 -17.721 3.080 10.501 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.368 2.703 13.990 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.686 3.817 14.369 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -19.430 4.515 10.991 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.849 4.840 12.676 1.00 0.00 H new ATOM 673 N LYS A 51 -12.359 1.510 13.914 1.00 0.00 N ATOM 674 CA LYS A 51 -11.986 1.584 15.319 1.00 0.00 C ATOM 675 C LYS A 51 -10.691 0.841 15.623 1.00 0.00 C ATOM 676 O LYS A 51 -10.194 0.865 16.751 1.00 0.00 O ATOM 677 CB LYS A 51 -13.131 1.116 16.189 1.00 0.00 C ATOM 678 CG LYS A 51 -14.327 2.037 16.078 1.00 0.00 C ATOM 679 CD LYS A 51 -14.026 3.420 16.593 1.00 0.00 C ATOM 680 CE LYS A 51 -13.532 3.394 18.008 1.00 0.00 C ATOM 681 NZ LYS A 51 -13.132 4.744 18.483 1.00 0.00 N ATOM 0 H LYS A 51 -12.507 0.565 13.559 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.785 2.629 15.554 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.420 0.106 15.898 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.803 1.067 17.227 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.641 2.099 15.036 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -15.162 1.616 16.638 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -13.277 3.890 15.956 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -14.925 4.033 16.534 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.313 2.998 18.657 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.681 2.717 18.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.797 4.681 19.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.369 5.112 17.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -13.950 5.385 18.437 1.00 0.00 H new ATOM 695 N ARG A 52 -10.154 0.177 14.613 1.00 0.00 N ATOM 696 CA ARG A 52 -8.948 -0.634 14.762 1.00 0.00 C ATOM 697 C ARG A 52 -7.689 0.249 14.776 1.00 0.00 C ATOM 698 O ARG A 52 -6.565 -0.234 14.956 1.00 0.00 O ATOM 699 CB ARG A 52 -8.927 -1.675 13.627 1.00 0.00 C ATOM 700 CG ARG A 52 -7.651 -2.479 13.487 1.00 0.00 C ATOM 701 CD ARG A 52 -7.387 -3.290 14.738 1.00 0.00 C ATOM 702 NE ARG A 52 -8.311 -4.416 14.872 1.00 0.00 N ATOM 703 CZ ARG A 52 -8.143 -5.410 15.746 1.00 0.00 C ATOM 704 NH1 ARG A 52 -7.121 -5.393 16.593 1.00 0.00 N ATOM 705 NH2 ARG A 52 -9.011 -6.411 15.792 1.00 0.00 N ATOM 0 H ARG A 52 -10.537 0.182 13.668 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.956 -1.157 15.718 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.754 -2.368 13.781 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.114 -1.160 12.685 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.727 -3.144 12.627 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.812 -1.809 13.299 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.363 -3.663 14.718 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.474 -2.645 15.612 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.129 -4.443 14.263 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.459 -4.617 16.578 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.998 -6.156 17.259 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.810 -6.423 15.158 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.880 -7.169 16.461 1.00 0.00 H new ATOM 719 N ASP A 53 -7.912 1.556 14.615 1.00 0.00 N ATOM 720 CA ASP A 53 -6.858 2.560 14.627 1.00 0.00 C ATOM 721 C ASP A 53 -5.948 2.448 13.408 1.00 0.00 C ATOM 722 O ASP A 53 -6.060 1.515 12.614 1.00 0.00 O ATOM 723 CB ASP A 53 -6.105 2.470 15.951 1.00 0.00 C ATOM 724 CG ASP A 53 -4.750 3.147 15.978 1.00 0.00 C ATOM 725 OD1 ASP A 53 -4.701 4.392 15.854 1.00 0.00 O ATOM 726 OD2 ASP A 53 -3.734 2.444 16.170 1.00 0.00 O ATOM 0 H ASP A 53 -8.843 1.946 14.471 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.300 3.554 14.554 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.726 2.908 16.733 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.971 1.418 16.202 1.00 0.00 H new ATOM 731 N SER A 54 -5.099 3.443 13.242 1.00 0.00 N ATOM 732 CA SER A 54 -4.177 3.510 12.122 1.00 0.00 C ATOM 733 C SER A 54 -3.353 2.232 12.021 1.00 0.00 C ATOM 734 O SER A 54 -2.418 2.001 12.788 1.00 0.00 O ATOM 735 CB SER A 54 -3.273 4.740 12.230 1.00 0.00 C ATOM 736 OG SER A 54 -2.579 4.794 13.468 1.00 0.00 O ATOM 0 H SER A 54 -5.028 4.233 13.883 1.00 0.00 H new ATOM 0 HA SER A 54 -4.762 3.605 11.208 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.552 4.731 11.412 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.875 5.641 12.114 1.00 0.00 H new ATOM 0 HG SER A 54 -2.282 3.894 13.716 1.00 0.00 H new ATOM 742 N VAL A 55 -3.768 1.389 11.103 1.00 0.00 N ATOM 743 CA VAL A 55 -3.013 0.216 10.711 1.00 0.00 C ATOM 744 C VAL A 55 -1.923 0.654 9.769 1.00 0.00 C ATOM 745 O VAL A 55 -2.050 1.686 9.126 1.00 0.00 O ATOM 746 CB VAL A 55 -3.875 -0.799 9.973 1.00 0.00 C ATOM 747 CG1 VAL A 55 -3.137 -2.078 9.797 1.00 0.00 C ATOM 748 CG2 VAL A 55 -5.174 -1.062 10.682 1.00 0.00 C ATOM 0 H VAL A 55 -4.649 1.498 10.601 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.622 -0.251 11.615 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.106 -0.370 8.998 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.768 -2.792 9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.230 -1.898 9.220 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.872 -2.482 10.774 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.755 -1.792 10.118 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.972 -1.452 11.680 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.739 -0.133 10.763 1.00 0.00 H new ATOM 758 N LYS A 56 -0.851 -0.095 9.675 1.00 0.00 N ATOM 759 CA LYS A 56 0.265 0.363 8.857 1.00 0.00 C ATOM 760 C LYS A 56 0.749 -0.740 7.922 1.00 0.00 C ATOM 761 O LYS A 56 0.752 -1.916 8.294 1.00 0.00 O ATOM 762 CB LYS A 56 1.470 0.840 9.683 1.00 0.00 C ATOM 763 CG LYS A 56 1.199 1.473 11.046 1.00 0.00 C ATOM 764 CD LYS A 56 0.029 2.430 11.088 1.00 0.00 C ATOM 765 CE LYS A 56 0.450 3.788 11.578 1.00 0.00 C ATOM 766 NZ LYS A 56 1.332 3.710 12.771 1.00 0.00 N ATOM 0 H LYS A 56 -0.720 -0.996 10.135 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.126 1.209 8.292 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.129 -0.015 9.837 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.021 1.564 9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.024 0.677 11.770 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.095 2.005 11.367 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.406 2.519 10.093 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.747 2.030 11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.971 4.315 10.778 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.436 4.374 11.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.207 4.564 13.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.084 2.870 13.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.324 3.642 12.466 1.00 0.00 H new ATOM 780 N TRP A 57 1.152 -0.356 6.713 1.00 0.00 N ATOM 781 CA TRP A 57 1.782 -1.284 5.783 1.00 0.00 C ATOM 782 C TRP A 57 3.095 -0.759 5.259 1.00 0.00 C ATOM 783 O TRP A 57 3.136 0.024 4.312 1.00 0.00 O ATOM 784 CB TRP A 57 0.853 -1.657 4.636 1.00 0.00 C ATOM 785 CG TRP A 57 -0.030 -2.763 5.061 1.00 0.00 C ATOM 786 CD1 TRP A 57 0.245 -4.091 4.985 1.00 0.00 C ATOM 787 CD2 TRP A 57 -1.303 -2.645 5.680 1.00 0.00 C ATOM 788 NE1 TRP A 57 -0.792 -4.817 5.514 1.00 0.00 N ATOM 789 CE2 TRP A 57 -1.756 -3.946 5.948 1.00 0.00 C ATOM 790 CE3 TRP A 57 -2.106 -1.564 6.024 1.00 0.00 C ATOM 791 CZ2 TRP A 57 -2.979 -4.187 6.552 1.00 0.00 C ATOM 792 CZ3 TRP A 57 -3.315 -1.811 6.622 1.00 0.00 C ATOM 793 CH2 TRP A 57 -3.740 -3.110 6.881 1.00 0.00 C ATOM 0 H TRP A 57 1.052 0.594 6.356 1.00 0.00 H new ATOM 0 HA TRP A 57 1.993 -2.191 6.350 1.00 0.00 H new ATOM 0 HB2 TRP A 57 0.257 -0.794 4.341 1.00 0.00 H new ATOM 0 HB3 TRP A 57 1.435 -1.956 3.764 1.00 0.00 H new ATOM 0 HD1 TRP A 57 1.148 -4.514 4.569 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -0.837 -5.834 5.574 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -1.785 -0.552 5.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -3.315 -5.193 6.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.949 -0.981 6.897 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -4.698 -3.266 7.355 1.00 0.00 H new ATOM 804 N HIS A 58 4.175 -1.193 5.885 1.00 0.00 N ATOM 805 CA HIS A 58 5.495 -0.809 5.439 1.00 0.00 C ATOM 806 C HIS A 58 5.742 -1.363 4.028 1.00 0.00 C ATOM 807 O HIS A 58 5.364 -2.485 3.705 1.00 0.00 O ATOM 808 CB HIS A 58 6.579 -1.306 6.407 1.00 0.00 C ATOM 809 CG HIS A 58 7.921 -0.712 6.113 1.00 0.00 C ATOM 810 ND1 HIS A 58 8.799 -1.254 5.201 1.00 0.00 N ATOM 811 CD2 HIS A 58 8.490 0.435 6.540 1.00 0.00 C ATOM 812 CE1 HIS A 58 9.840 -0.451 5.058 1.00 0.00 C ATOM 813 NE2 HIS A 58 9.679 0.578 5.869 1.00 0.00 N ATOM 0 H HIS A 58 4.161 -1.808 6.699 1.00 0.00 H new ATOM 0 HA HIS A 58 5.549 0.279 5.416 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.291 -1.059 7.429 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.645 -2.392 6.348 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.084 1.115 7.274 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.676 -0.610 4.393 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.332 1.354 5.979 1.00 0.00 H new ATOM 822 N TYR A 59 6.383 -0.550 3.208 1.00 0.00 N ATOM 823 CA TYR A 59 6.600 -0.829 1.788 1.00 0.00 C ATOM 824 C TYR A 59 7.420 -2.085 1.545 1.00 0.00 C ATOM 825 O TYR A 59 7.335 -2.698 0.486 1.00 0.00 O ATOM 826 CB TYR A 59 7.307 0.365 1.169 1.00 0.00 C ATOM 827 CG TYR A 59 6.368 1.438 0.732 1.00 0.00 C ATOM 828 CD1 TYR A 59 5.248 1.719 1.475 1.00 0.00 C ATOM 829 CD2 TYR A 59 6.582 2.137 -0.431 1.00 0.00 C ATOM 830 CE1 TYR A 59 4.352 2.678 1.081 1.00 0.00 C ATOM 831 CE2 TYR A 59 5.704 3.105 -0.840 1.00 0.00 C ATOM 832 CZ TYR A 59 4.590 3.376 -0.084 1.00 0.00 C ATOM 833 OH TYR A 59 3.728 4.348 -0.494 1.00 0.00 O ATOM 0 H TYR A 59 6.777 0.341 3.510 1.00 0.00 H new ATOM 0 HA TYR A 59 5.626 -0.999 1.330 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.010 0.778 1.892 1.00 0.00 H new ATOM 0 HB3 TYR A 59 7.891 0.030 0.312 1.00 0.00 H new ATOM 0 HD1 TYR A 59 5.069 1.173 2.389 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.454 1.920 -1.030 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.473 2.884 1.674 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.887 3.653 -1.753 1.00 0.00 H new ATOM 0 HH TYR A 59 3.865 5.155 0.044 1.00 0.00 H new ATOM 843 N LEU A 60 8.199 -2.460 2.536 1.00 0.00 N ATOM 844 CA LEU A 60 9.024 -3.659 2.471 1.00 0.00 C ATOM 845 C LEU A 60 8.197 -4.871 2.820 1.00 0.00 C ATOM 846 O LEU A 60 8.714 -5.912 3.211 1.00 0.00 O ATOM 847 CB LEU A 60 10.231 -3.547 3.397 1.00 0.00 C ATOM 848 CG LEU A 60 11.550 -3.253 2.695 1.00 0.00 C ATOM 849 CD1 LEU A 60 11.984 -4.423 1.822 1.00 0.00 C ATOM 850 CD2 LEU A 60 11.425 -1.999 1.873 1.00 0.00 C ATOM 0 H LEU A 60 8.282 -1.946 3.413 1.00 0.00 H new ATOM 0 HA LEU A 60 9.397 -3.766 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.040 -2.759 4.126 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.332 -4.479 3.954 1.00 0.00 H new ATOM 0 HG LEU A 60 12.317 -3.105 3.455 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.929 -4.182 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.111 -5.311 2.441 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.223 -4.614 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.372 -1.795 1.374 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.642 -2.130 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.170 -1.162 2.523 1.00 0.00 H new ATOM 862 N CYS A 61 6.901 -4.705 2.747 1.00 0.00 N ATOM 863 CA CYS A 61 5.994 -5.766 3.024 1.00 0.00 C ATOM 864 C CYS A 61 5.021 -5.955 1.868 1.00 0.00 C ATOM 865 O CYS A 61 4.504 -7.051 1.670 1.00 0.00 O ATOM 866 CB CYS A 61 5.251 -5.443 4.307 1.00 0.00 C ATOM 867 SG CYS A 61 6.300 -5.410 5.778 1.00 0.00 S ATOM 0 H CYS A 61 6.454 -3.824 2.492 1.00 0.00 H new ATOM 0 HA CYS A 61 6.544 -6.699 3.145 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.765 -4.473 4.199 1.00 0.00 H new ATOM 0 HB3 CYS A 61 4.462 -6.181 4.453 1.00 0.00 H new ATOM 0 HG CYS A 61 5.577 -5.124 6.820 1.00 0.00 H new ATOM 873 N LEU A 62 4.791 -4.888 1.108 1.00 0.00 N ATOM 874 CA LEU A 62 3.880 -4.923 -0.029 1.00 0.00 C ATOM 875 C LEU A 62 4.425 -5.803 -1.153 1.00 0.00 C ATOM 876 O LEU A 62 4.981 -5.289 -2.113 1.00 0.00 O ATOM 877 CB LEU A 62 3.684 -3.517 -0.602 1.00 0.00 C ATOM 878 CG LEU A 62 2.859 -2.499 0.203 1.00 0.00 C ATOM 879 CD1 LEU A 62 1.794 -1.902 -0.688 1.00 0.00 C ATOM 880 CD2 LEU A 62 2.206 -3.096 1.433 1.00 0.00 C ATOM 0 H LEU A 62 5.229 -3.980 1.263 1.00 0.00 H new ATOM 0 HA LEU A 62 2.936 -5.328 0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.672 -3.086 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.216 -3.621 -1.581 1.00 0.00 H new ATOM 0 HG LEU A 62 3.553 -1.734 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.207 -1.180 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.266 -1.402 -1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.140 -2.694 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.640 -2.325 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.534 -3.900 1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.974 -3.493 2.096 1.00 0.00 H new ATOM 892 N ARG A 63 4.251 -7.114 -1.049 1.00 0.00 N ATOM 893 CA ARG A 63 4.688 -8.028 -2.098 1.00 0.00 C ATOM 894 C ARG A 63 4.007 -7.678 -3.412 1.00 0.00 C ATOM 895 O ARG A 63 4.658 -7.578 -4.449 1.00 0.00 O ATOM 896 CB ARG A 63 4.407 -9.481 -1.714 1.00 0.00 C ATOM 897 CG ARG A 63 5.360 -10.015 -0.662 1.00 0.00 C ATOM 898 CD ARG A 63 5.040 -11.450 -0.291 1.00 0.00 C ATOM 899 NE ARG A 63 6.101 -12.052 0.517 1.00 0.00 N ATOM 900 CZ ARG A 63 5.915 -13.040 1.387 1.00 0.00 C ATOM 901 NH1 ARG A 63 4.699 -13.532 1.599 1.00 0.00 N ATOM 902 NH2 ARG A 63 6.958 -13.538 2.032 1.00 0.00 N ATOM 0 H ARG A 63 3.811 -7.569 -0.249 1.00 0.00 H new ATOM 0 HA ARG A 63 5.766 -7.920 -2.221 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.385 -9.561 -1.344 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.473 -10.105 -2.605 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.383 -9.955 -1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.307 -9.389 0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.101 -11.482 0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.897 -12.037 -1.198 1.00 0.00 H new ATOM 0 HE ARG A 63 7.048 -11.689 0.405 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.900 -13.152 1.092 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.565 -14.290 2.268 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.891 -13.164 1.859 1.00 0.00 H new ATOM 0 HH22 ARG A 63 6.829 -14.296 2.702 1.00 0.00 H new ATOM 916 N ARG A 64 2.701 -7.471 -3.353 1.00 0.00 N ATOM 917 CA ARG A 64 1.970 -6.957 -4.495 1.00 0.00 C ATOM 918 C ARG A 64 1.048 -5.837 -4.051 1.00 0.00 C ATOM 919 O ARG A 64 0.874 -5.637 -2.862 1.00 0.00 O ATOM 920 CB ARG A 64 1.228 -8.072 -5.248 1.00 0.00 C ATOM 921 CG ARG A 64 0.142 -8.808 -4.519 1.00 0.00 C ATOM 922 CD ARG A 64 -0.314 -9.989 -5.370 1.00 0.00 C ATOM 923 NE ARG A 64 0.653 -11.091 -5.349 1.00 0.00 N ATOM 924 CZ ARG A 64 1.433 -11.430 -6.381 1.00 0.00 C ATOM 925 NH1 ARG A 64 1.424 -10.707 -7.495 1.00 0.00 N ATOM 926 NH2 ARG A 64 2.229 -12.487 -6.296 1.00 0.00 N ATOM 0 H ARG A 64 2.129 -7.651 -2.528 1.00 0.00 H new ATOM 0 HA ARG A 64 2.681 -6.543 -5.210 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.792 -7.636 -6.147 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.967 -8.804 -5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 64 0.507 -9.158 -3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -0.697 -8.141 -4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.278 -10.346 -5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.463 -9.658 -6.398 1.00 0.00 H new ATOM 0 HE ARG A 64 0.736 -11.635 -4.490 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.820 -9.888 -7.567 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.021 -10.970 -8.279 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.248 -13.044 -5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.823 -12.743 -7.085 1.00 0.00 H new ATOM 940 N TYR A 65 0.526 -5.071 -4.998 1.00 0.00 N ATOM 941 CA TYR A 65 -0.326 -3.920 -4.692 1.00 0.00 C ATOM 942 C TYR A 65 -0.966 -3.385 -5.950 1.00 0.00 C ATOM 943 O TYR A 65 -0.335 -3.349 -6.998 1.00 0.00 O ATOM 944 CB TYR A 65 0.466 -2.824 -3.974 1.00 0.00 C ATOM 945 CG TYR A 65 1.756 -2.420 -4.653 1.00 0.00 C ATOM 946 CD1 TYR A 65 2.857 -3.264 -4.663 1.00 0.00 C ATOM 947 CD2 TYR A 65 1.885 -1.183 -5.255 1.00 0.00 C ATOM 948 CE1 TYR A 65 4.035 -2.887 -5.264 1.00 0.00 C ATOM 949 CE2 TYR A 65 3.052 -0.799 -5.845 1.00 0.00 C ATOM 950 CZ TYR A 65 4.130 -1.651 -5.856 1.00 0.00 C ATOM 951 OH TYR A 65 5.307 -1.263 -6.457 1.00 0.00 O ATOM 0 H TYR A 65 0.677 -5.224 -5.995 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.117 -4.253 -4.020 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.168 -1.943 -3.877 1.00 0.00 H new ATOM 0 HB3 TYR A 65 0.695 -3.164 -2.964 1.00 0.00 H new ATOM 0 HD1 TYR A 65 2.788 -4.233 -4.191 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.043 -0.506 -5.258 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.881 -3.559 -5.271 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.130 0.175 -6.304 1.00 0.00 H new ATOM 0 HH TYR A 65 5.873 -0.805 -5.802 1.00 0.00 H new ATOM 961 N GLY A 66 -2.227 -2.987 -5.853 1.00 0.00 N ATOM 962 CA GLY A 66 -2.990 -2.737 -7.050 1.00 0.00 C ATOM 963 C GLY A 66 -4.086 -1.726 -6.912 1.00 0.00 C ATOM 964 O GLY A 66 -4.178 -0.987 -5.933 1.00 0.00 O ATOM 0 H GLY A 66 -2.727 -2.835 -4.977 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.308 -2.404 -7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.426 -3.678 -7.386 1.00 0.00 H new ATOM 968 N TYR A 67 -4.960 -1.793 -7.892 1.00 0.00 N ATOM 969 CA TYR A 67 -6.008 -0.819 -8.116 1.00 0.00 C ATOM 970 C TYR A 67 -7.012 -1.394 -9.110 1.00 0.00 C ATOM 971 O TYR A 67 -6.618 -1.884 -10.170 1.00 0.00 O ATOM 972 CB TYR A 67 -5.393 0.467 -8.682 1.00 0.00 C ATOM 973 CG TYR A 67 -6.252 1.157 -9.717 1.00 0.00 C ATOM 974 CD1 TYR A 67 -7.530 1.573 -9.400 1.00 0.00 C ATOM 975 CD2 TYR A 67 -5.783 1.392 -11.003 1.00 0.00 C ATOM 976 CE1 TYR A 67 -8.328 2.201 -10.321 1.00 0.00 C ATOM 977 CE2 TYR A 67 -6.576 2.024 -11.941 1.00 0.00 C ATOM 978 CZ TYR A 67 -7.848 2.427 -11.597 1.00 0.00 C ATOM 979 OH TYR A 67 -8.638 3.064 -12.528 1.00 0.00 O ATOM 0 H TYR A 67 -4.962 -2.549 -8.576 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.513 -0.590 -7.178 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.205 1.159 -7.861 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.427 0.230 -9.127 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.910 1.400 -8.404 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.786 1.077 -11.273 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.325 2.517 -10.051 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.201 2.201 -12.938 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.931 3.929 -12.172 1.00 0.00 H new ATOM 989 N ASP A 68 -8.291 -1.370 -8.763 1.00 0.00 N ATOM 990 CA ASP A 68 -9.327 -1.668 -9.730 1.00 0.00 C ATOM 991 C ASP A 68 -10.667 -1.061 -9.339 1.00 0.00 C ATOM 992 O ASP A 68 -11.229 -1.435 -8.328 1.00 0.00 O ATOM 993 CB ASP A 68 -9.492 -3.157 -9.909 1.00 0.00 C ATOM 994 CG ASP A 68 -10.391 -3.473 -11.104 1.00 0.00 C ATOM 995 OD1 ASP A 68 -11.623 -3.256 -11.031 1.00 0.00 O ATOM 996 OD2 ASP A 68 -9.858 -3.898 -12.150 1.00 0.00 O ATOM 0 H ASP A 68 -8.630 -1.149 -7.827 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.007 -1.221 -10.671 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.515 -3.619 -10.053 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.919 -3.590 -9.004 1.00 0.00 H new ATOM 1001 N SER A 69 -11.168 -0.122 -10.136 1.00 0.00 N ATOM 1002 CA SER A 69 -12.504 0.436 -9.935 1.00 0.00 C ATOM 1003 C SER A 69 -12.722 0.854 -8.479 1.00 0.00 C ATOM 1004 O SER A 69 -13.628 0.356 -7.805 1.00 0.00 O ATOM 1005 CB SER A 69 -13.559 -0.590 -10.362 1.00 0.00 C ATOM 1006 OG SER A 69 -14.870 -0.050 -10.324 1.00 0.00 O ATOM 0 H SER A 69 -10.666 0.271 -10.932 1.00 0.00 H new ATOM 0 HA SER A 69 -12.599 1.331 -10.550 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.339 -0.938 -11.371 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.506 -1.459 -9.707 1.00 0.00 H new ATOM 0 HG SER A 69 -15.093 0.204 -9.404 1.00 0.00 H new ATOM 1012 N ASN A 70 -11.883 1.771 -8.006 1.00 0.00 N ATOM 1013 CA ASN A 70 -11.923 2.233 -6.616 1.00 0.00 C ATOM 1014 C ASN A 70 -11.636 1.090 -5.630 1.00 0.00 C ATOM 1015 O ASN A 70 -12.105 1.107 -4.501 1.00 0.00 O ATOM 1016 CB ASN A 70 -13.260 2.888 -6.278 1.00 0.00 C ATOM 1017 CG ASN A 70 -13.655 3.983 -7.251 1.00 0.00 C ATOM 1018 OD1 ASN A 70 -13.239 5.133 -7.123 1.00 0.00 O ATOM 1019 ND2 ASN A 70 -14.493 3.638 -8.208 1.00 0.00 N ATOM 0 H ASN A 70 -11.158 2.215 -8.570 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.137 2.981 -6.514 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -14.038 2.125 -6.266 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.208 3.306 -5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -14.820 4.336 -8.876 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -14.815 2.673 -8.280 1.00 0.00 H new ATOM 1026 N LEU A 71 -10.883 0.091 -6.069 1.00 0.00 N ATOM 1027 CA LEU A 71 -10.384 -0.963 -5.181 1.00 0.00 C ATOM 1028 C LEU A 71 -8.845 -0.901 -5.185 1.00 0.00 C ATOM 1029 O LEU A 71 -8.238 -1.183 -6.203 1.00 0.00 O ATOM 1030 CB LEU A 71 -10.835 -2.353 -5.710 1.00 0.00 C ATOM 1031 CG LEU A 71 -11.684 -3.254 -4.787 1.00 0.00 C ATOM 1032 CD1 LEU A 71 -11.380 -4.740 -4.951 1.00 0.00 C ATOM 1033 CD2 LEU A 71 -11.527 -2.880 -3.337 1.00 0.00 C ATOM 0 H LEU A 71 -10.599 -0.016 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.775 -0.820 -4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.402 -2.191 -6.627 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.939 -2.910 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.714 -3.082 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.010 -5.317 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.581 -5.041 -5.979 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.332 -4.925 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.141 -3.539 -2.723 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.482 -2.983 -3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.844 -1.847 -3.191 1.00 0.00 H new ATOM 1045 N PHE A 72 -8.206 -0.533 -4.079 1.00 0.00 N ATOM 1046 CA PHE A 72 -6.738 -0.558 -4.018 1.00 0.00 C ATOM 1047 C PHE A 72 -6.309 -1.706 -3.126 1.00 0.00 C ATOM 1048 O PHE A 72 -6.925 -1.963 -2.101 1.00 0.00 O ATOM 1049 CB PHE A 72 -6.131 0.785 -3.538 1.00 0.00 C ATOM 1050 CG PHE A 72 -5.102 0.676 -2.449 1.00 0.00 C ATOM 1051 CD1 PHE A 72 -5.488 0.678 -1.128 1.00 0.00 C ATOM 1052 CD2 PHE A 72 -3.744 0.587 -2.740 1.00 0.00 C ATOM 1053 CE1 PHE A 72 -4.547 0.595 -0.136 1.00 0.00 C ATOM 1054 CE2 PHE A 72 -2.817 0.510 -1.751 1.00 0.00 C ATOM 1055 CZ PHE A 72 -3.213 0.516 -0.460 1.00 0.00 C ATOM 0 H PHE A 72 -8.666 -0.219 -3.224 1.00 0.00 H new ATOM 0 HA PHE A 72 -6.356 -0.707 -5.028 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -5.678 1.285 -4.394 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.940 1.425 -3.187 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.535 0.745 -0.873 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.422 0.579 -3.771 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.853 0.592 0.900 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.767 0.444 -1.996 1.00 0.00 H new ATOM 0 HZ PHE A 72 -2.475 0.458 0.326 1.00 0.00 H new ATOM 1065 N SER A 73 -5.271 -2.407 -3.515 1.00 0.00 N ATOM 1066 CA SER A 73 -4.873 -3.590 -2.788 1.00 0.00 C ATOM 1067 C SER A 73 -3.367 -3.657 -2.588 1.00 0.00 C ATOM 1068 O SER A 73 -2.622 -2.879 -3.177 1.00 0.00 O ATOM 1069 CB SER A 73 -5.353 -4.820 -3.538 1.00 0.00 C ATOM 1070 OG SER A 73 -4.932 -6.018 -2.913 1.00 0.00 O ATOM 0 H SER A 73 -4.691 -2.182 -4.323 1.00 0.00 H new ATOM 0 HA SER A 73 -5.329 -3.550 -1.799 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.441 -4.806 -3.599 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.976 -4.792 -4.560 1.00 0.00 H new ATOM 0 HG SER A 73 -5.166 -5.990 -1.962 1.00 0.00 H new ATOM 1076 N PHE A 74 -2.945 -4.585 -1.737 1.00 0.00 N ATOM 1077 CA PHE A 74 -1.546 -4.933 -1.568 1.00 0.00 C ATOM 1078 C PHE A 74 -1.427 -6.283 -0.844 1.00 0.00 C ATOM 1079 O PHE A 74 -2.275 -6.628 -0.020 1.00 0.00 O ATOM 1080 CB PHE A 74 -0.775 -3.829 -0.838 1.00 0.00 C ATOM 1081 CG PHE A 74 -1.395 -3.321 0.422 1.00 0.00 C ATOM 1082 CD1 PHE A 74 -1.651 -4.182 1.472 1.00 0.00 C ATOM 1083 CD2 PHE A 74 -1.694 -1.970 0.571 1.00 0.00 C ATOM 1084 CE1 PHE A 74 -2.200 -3.721 2.639 1.00 0.00 C ATOM 1085 CE2 PHE A 74 -2.235 -1.510 1.750 1.00 0.00 C ATOM 1086 CZ PHE A 74 -2.489 -2.384 2.779 1.00 0.00 C ATOM 0 H PHE A 74 -3.575 -5.121 -1.140 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.092 -5.030 -2.554 1.00 0.00 H new ATOM 0 HB2 PHE A 74 0.222 -4.203 -0.604 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -0.648 -2.989 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -1.415 -5.231 1.371 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.501 -1.282 -0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -2.406 -4.406 3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.460 -0.460 1.866 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.917 -2.020 3.701 1.00 0.00 H new ATOM 1096 N GLU A 75 -0.411 -7.065 -1.192 1.00 0.00 N ATOM 1097 CA GLU A 75 -0.145 -8.321 -0.510 1.00 0.00 C ATOM 1098 C GLU A 75 0.990 -8.135 0.465 1.00 0.00 C ATOM 1099 O GLU A 75 2.146 -8.118 0.060 1.00 0.00 O ATOM 1100 CB GLU A 75 0.234 -9.439 -1.467 1.00 0.00 C ATOM 1101 CG GLU A 75 0.360 -10.793 -0.783 1.00 0.00 C ATOM 1102 CD GLU A 75 0.804 -11.894 -1.722 1.00 0.00 C ATOM 1103 OE1 GLU A 75 0.281 -11.974 -2.849 1.00 0.00 O ATOM 1104 OE2 GLU A 75 1.664 -12.709 -1.325 1.00 0.00 O ATOM 0 H GLU A 75 0.242 -6.848 -1.945 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.067 -8.604 -0.001 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.516 -9.505 -2.255 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.180 -9.192 -1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.073 -10.714 0.037 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.601 -11.063 -0.345 1.00 0.00 H new ATOM 1111 N SER A 76 0.694 -8.004 1.733 1.00 0.00 N ATOM 1112 CA SER A 76 1.753 -7.817 2.689 1.00 0.00 C ATOM 1113 C SER A 76 2.355 -9.176 3.049 1.00 0.00 C ATOM 1114 O SER A 76 1.653 -10.085 3.499 1.00 0.00 O ATOM 1115 CB SER A 76 1.209 -7.083 3.915 1.00 0.00 C ATOM 1116 OG SER A 76 0.237 -7.866 4.592 1.00 0.00 O ATOM 0 H SER A 76 -0.249 -8.023 2.121 1.00 0.00 H new ATOM 0 HA SER A 76 2.548 -7.204 2.264 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.028 -6.848 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.767 -6.135 3.608 1.00 0.00 H new ATOM 0 HG SER A 76 0.442 -8.817 4.472 1.00 0.00 H new ATOM 1122 N GLY A 77 3.661 -9.303 2.850 1.00 0.00 N ATOM 1123 CA GLY A 77 4.342 -10.564 3.083 1.00 0.00 C ATOM 1124 C GLY A 77 5.024 -10.584 4.422 1.00 0.00 C ATOM 1125 O GLY A 77 6.150 -11.056 4.563 1.00 0.00 O ATOM 0 H GLY A 77 4.266 -8.548 2.528 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.624 -11.382 3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.078 -10.732 2.296 1.00 0.00 H new ATOM 1129 N ARG A 78 4.334 -10.035 5.387 1.00 0.00 N ATOM 1130 CA ARG A 78 4.813 -9.921 6.743 1.00 0.00 C ATOM 1131 C ARG A 78 3.607 -9.612 7.590 1.00 0.00 C ATOM 1132 O ARG A 78 2.661 -8.994 7.094 1.00 0.00 O ATOM 1133 CB ARG A 78 5.846 -8.796 6.839 1.00 0.00 C ATOM 1134 CG ARG A 78 6.461 -8.612 8.215 1.00 0.00 C ATOM 1135 CD ARG A 78 7.479 -7.483 8.210 1.00 0.00 C ATOM 1136 NE ARG A 78 8.641 -7.780 7.365 1.00 0.00 N ATOM 1137 CZ ARG A 78 9.592 -6.893 7.066 1.00 0.00 C ATOM 1138 NH1 ARG A 78 9.437 -5.612 7.380 1.00 0.00 N ATOM 1139 NH2 ARG A 78 10.685 -7.284 6.427 1.00 0.00 N ATOM 0 H ARG A 78 3.401 -9.645 5.251 1.00 0.00 H new ATOM 0 HA ARG A 78 5.300 -10.837 7.078 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.644 -8.993 6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.373 -7.861 6.540 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.678 -8.397 8.942 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.942 -9.538 8.529 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.001 -6.569 7.858 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.814 -7.295 9.230 1.00 0.00 H new ATOM 0 HE ARG A 78 8.727 -8.722 6.983 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.588 -5.302 7.852 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.167 -4.938 7.149 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.799 -8.263 6.164 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.412 -6.606 6.198 1.00 0.00 H new ATOM 1153 N ARG A 79 3.592 -10.062 8.828 1.00 0.00 N ATOM 1154 CA ARG A 79 2.458 -9.790 9.673 1.00 0.00 C ATOM 1155 C ARG A 79 2.333 -8.316 9.957 1.00 0.00 C ATOM 1156 O ARG A 79 3.313 -7.568 9.985 1.00 0.00 O ATOM 1157 CB ARG A 79 2.494 -10.571 10.964 1.00 0.00 C ATOM 1158 CG ARG A 79 2.194 -12.038 10.763 1.00 0.00 C ATOM 1159 CD ARG A 79 2.063 -12.750 12.083 1.00 0.00 C ATOM 1160 NE ARG A 79 1.583 -14.117 11.913 1.00 0.00 N ATOM 1161 CZ ARG A 79 0.954 -14.814 12.855 1.00 0.00 C ATOM 1162 NH1 ARG A 79 0.689 -14.263 14.034 1.00 0.00 N ATOM 1163 NH2 ARG A 79 0.579 -16.060 12.604 1.00 0.00 N ATOM 0 H ARG A 79 4.338 -10.607 9.261 1.00 0.00 H new ATOM 0 HA ARG A 79 1.578 -10.119 9.121 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.477 -10.464 11.422 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.770 -10.148 11.661 1.00 0.00 H new ATOM 0 HG2 ARG A 79 1.271 -12.149 10.193 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.989 -12.498 10.176 1.00 0.00 H new ATOM 0 HD2 ARG A 79 3.030 -12.764 12.587 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.376 -12.200 12.726 1.00 0.00 H new ATOM 0 HE ARG A 79 1.740 -14.568 11.012 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.968 -13.300 14.221 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.206 -14.803 14.752 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.773 -16.478 11.694 1.00 0.00 H new ATOM 0 HH22 ARG A 79 0.096 -16.602 13.321 1.00 0.00 H new ATOM 1177 N CYS A 80 1.110 -7.930 10.163 1.00 0.00 N ATOM 1178 CA CYS A 80 0.737 -6.550 10.351 1.00 0.00 C ATOM 1179 C CYS A 80 -0.398 -6.512 11.352 1.00 0.00 C ATOM 1180 O CYS A 80 -0.752 -7.547 11.921 1.00 0.00 O ATOM 1181 CB CYS A 80 0.288 -5.935 9.021 1.00 0.00 C ATOM 1182 SG CYS A 80 1.535 -6.006 7.715 1.00 0.00 S ATOM 0 H CYS A 80 0.322 -8.576 10.207 1.00 0.00 H new ATOM 0 HA CYS A 80 1.587 -5.974 10.717 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.610 -6.451 8.680 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.013 -4.894 9.189 1.00 0.00 H new ATOM 0 HG CYS A 80 1.081 -5.417 6.649 1.00 0.00 H new ATOM 1188 N GLN A 81 -0.966 -5.343 11.567 1.00 0.00 N ATOM 1189 CA GLN A 81 -2.179 -5.231 12.355 1.00 0.00 C ATOM 1190 C GLN A 81 -3.239 -6.168 11.796 1.00 0.00 C ATOM 1191 O GLN A 81 -3.674 -7.104 12.458 1.00 0.00 O ATOM 1192 CB GLN A 81 -2.695 -3.810 12.290 1.00 0.00 C ATOM 1193 CG GLN A 81 -3.920 -3.553 13.130 1.00 0.00 C ATOM 1194 CD GLN A 81 -3.587 -3.277 14.577 1.00 0.00 C ATOM 1195 OE1 GLN A 81 -3.355 -2.131 14.956 1.00 0.00 O ATOM 1196 NE2 GLN A 81 -3.583 -4.312 15.393 1.00 0.00 N ATOM 0 H GLN A 81 -0.609 -4.458 11.208 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.960 -5.498 13.389 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.902 -3.134 12.609 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.923 -3.566 11.252 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.466 -2.704 12.719 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.583 -4.416 13.072 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.781 -5.246 15.033 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.382 -4.179 16.384 1.00 0.00 H new ATOM 1205 N THR A 82 -3.609 -5.931 10.548 1.00 0.00 N ATOM 1206 CA THR A 82 -4.713 -6.644 9.944 1.00 0.00 C ATOM 1207 C THR A 82 -4.410 -7.031 8.485 1.00 0.00 C ATOM 1208 O THR A 82 -5.312 -7.243 7.683 1.00 0.00 O ATOM 1209 CB THR A 82 -6.017 -5.808 10.067 1.00 0.00 C ATOM 1210 OG1 THR A 82 -7.127 -6.470 9.448 1.00 0.00 O ATOM 1211 CG2 THR A 82 -5.837 -4.421 9.469 1.00 0.00 C ATOM 0 H THR A 82 -3.159 -5.250 9.937 1.00 0.00 H new ATOM 0 HA THR A 82 -4.858 -7.579 10.485 1.00 0.00 H new ATOM 0 HB THR A 82 -6.232 -5.704 11.131 1.00 0.00 H new ATOM 0 HG1 THR A 82 -6.831 -6.898 8.618 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.765 -3.858 9.569 1.00 0.00 H new ATOM 0 HG22 THR A 82 -5.038 -3.899 9.995 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.579 -4.510 8.414 1.00 0.00 H new ATOM 1219 N GLY A 83 -3.125 -7.115 8.146 1.00 0.00 N ATOM 1220 CA GLY A 83 -2.733 -7.487 6.787 1.00 0.00 C ATOM 1221 C GLY A 83 -3.095 -8.916 6.436 1.00 0.00 C ATOM 1222 O GLY A 83 -4.079 -9.159 5.738 1.00 0.00 O ATOM 0 H GLY A 83 -2.348 -6.934 8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.213 -6.812 6.079 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.657 -7.353 6.676 1.00 0.00 H new ATOM 1226 N GLN A 84 -2.278 -9.855 6.904 1.00 0.00 N ATOM 1227 CA GLN A 84 -2.510 -11.292 6.713 1.00 0.00 C ATOM 1228 C GLN A 84 -2.351 -11.738 5.256 1.00 0.00 C ATOM 1229 O GLN A 84 -2.671 -12.879 4.922 1.00 0.00 O ATOM 1230 CB GLN A 84 -3.895 -11.697 7.228 1.00 0.00 C ATOM 1231 CG GLN A 84 -4.067 -11.510 8.723 1.00 0.00 C ATOM 1232 CD GLN A 84 -5.449 -11.892 9.209 1.00 0.00 C ATOM 1233 OE1 GLN A 84 -6.079 -12.848 8.540 1.00 0.00 O flip ATOM 1234 NE2 GLN A 84 -5.950 -11.335 10.184 1.00 0.00 N flip ATOM 0 H GLN A 84 -1.430 -9.644 7.430 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.740 -11.800 7.294 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -4.652 -11.111 6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.074 -12.743 6.978 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -3.324 -12.111 9.247 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -3.872 -10.468 8.979 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -5.435 -10.603 10.674 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -6.881 -11.605 10.503 1.00 0.00 H new ATOM 1243 N GLY A 85 -1.852 -10.860 4.396 1.00 0.00 N ATOM 1244 CA GLY A 85 -1.645 -11.226 3.003 1.00 0.00 C ATOM 1245 C GLY A 85 -2.183 -10.177 2.053 1.00 0.00 C ATOM 1246 O GLY A 85 -1.877 -8.994 2.204 1.00 0.00 O ATOM 0 H GLY A 85 -1.587 -9.904 4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.580 -11.368 2.820 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.133 -12.180 2.803 1.00 0.00 H new ATOM 1250 N ILE A 86 -2.976 -10.601 1.071 1.00 0.00 N ATOM 1251 CA ILE A 86 -3.621 -9.661 0.166 1.00 0.00 C ATOM 1252 C ILE A 86 -4.770 -8.972 0.875 1.00 0.00 C ATOM 1253 O ILE A 86 -5.809 -9.582 1.144 1.00 0.00 O ATOM 1254 CB ILE A 86 -4.153 -10.316 -1.116 1.00 0.00 C ATOM 1255 CG1 ILE A 86 -2.978 -10.797 -1.961 1.00 0.00 C ATOM 1256 CG2 ILE A 86 -5.003 -9.319 -1.880 1.00 0.00 C ATOM 1257 CD1 ILE A 86 -3.106 -10.542 -3.443 1.00 0.00 C ATOM 0 H ILE A 86 -3.184 -11.582 0.885 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.854 -8.945 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.775 -11.176 -0.867 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.070 -10.312 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.851 -11.868 -1.802 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.380 -9.785 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.842 -9.004 -1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.399 -8.450 -2.141 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.221 -10.920 -3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.991 -11.051 -3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.198 -9.471 -3.621 1.00 0.00 H new ATOM 1269 N PHE A 87 -4.575 -7.714 1.185 1.00 0.00 N ATOM 1270 CA PHE A 87 -5.592 -6.940 1.850 1.00 0.00 C ATOM 1271 C PHE A 87 -5.955 -5.756 0.979 1.00 0.00 C ATOM 1272 O PHE A 87 -5.153 -4.846 0.768 1.00 0.00 O ATOM 1273 CB PHE A 87 -5.085 -6.502 3.226 1.00 0.00 C ATOM 1274 CG PHE A 87 -6.134 -5.970 4.165 1.00 0.00 C ATOM 1275 CD1 PHE A 87 -7.484 -6.238 3.987 1.00 0.00 C ATOM 1276 CD2 PHE A 87 -5.752 -5.202 5.246 1.00 0.00 C ATOM 1277 CE1 PHE A 87 -8.422 -5.743 4.875 1.00 0.00 C ATOM 1278 CE2 PHE A 87 -6.682 -4.708 6.133 1.00 0.00 C ATOM 1279 CZ PHE A 87 -8.014 -4.976 5.953 1.00 0.00 C ATOM 0 H PHE A 87 -3.715 -7.202 0.986 1.00 0.00 H new ATOM 0 HA PHE A 87 -6.490 -7.538 2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.595 -7.352 3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -4.325 -5.734 3.086 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.805 -6.838 3.148 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.705 -4.985 5.399 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.471 -5.954 4.728 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.361 -4.108 6.972 1.00 0.00 H new ATOM 0 HZ PHE A 87 -8.743 -4.590 6.650 1.00 0.00 H new ATOM 1289 N ALA A 88 -7.154 -5.803 0.435 1.00 0.00 N ATOM 1290 CA ALA A 88 -7.605 -4.788 -0.484 1.00 0.00 C ATOM 1291 C ALA A 88 -8.619 -3.864 0.189 1.00 0.00 C ATOM 1292 O ALA A 88 -9.420 -4.282 1.034 1.00 0.00 O ATOM 1293 CB ALA A 88 -8.185 -5.432 -1.726 1.00 0.00 C ATOM 0 H ALA A 88 -7.835 -6.540 0.618 1.00 0.00 H new ATOM 0 HA ALA A 88 -6.752 -4.178 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.523 -4.657 -2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.421 -6.040 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -9.029 -6.063 -1.448 1.00 0.00 H new ATOM 1299 N PHE A 89 -8.566 -2.602 -0.174 1.00 0.00 N ATOM 1300 CA PHE A 89 -9.474 -1.615 0.358 1.00 0.00 C ATOM 1301 C PHE A 89 -10.117 -0.911 -0.796 1.00 0.00 C ATOM 1302 O PHE A 89 -9.451 -0.546 -1.759 1.00 0.00 O ATOM 1303 CB PHE A 89 -8.766 -0.587 1.229 1.00 0.00 C ATOM 1304 CG PHE A 89 -7.704 -1.183 2.068 1.00 0.00 C ATOM 1305 CD1 PHE A 89 -6.471 -1.366 1.524 1.00 0.00 C ATOM 1306 CD2 PHE A 89 -7.929 -1.563 3.375 1.00 0.00 C ATOM 1307 CE1 PHE A 89 -5.460 -1.923 2.247 1.00 0.00 C ATOM 1308 CE2 PHE A 89 -6.918 -2.123 4.120 1.00 0.00 C ATOM 1309 CZ PHE A 89 -5.676 -2.306 3.553 1.00 0.00 C ATOM 0 H PHE A 89 -7.893 -2.233 -0.845 1.00 0.00 H new ATOM 0 HA PHE A 89 -10.207 -2.124 0.984 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.331 0.184 0.593 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.497 -0.095 1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.291 -1.065 0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.905 -1.420 3.815 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.489 -2.065 1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.097 -2.418 5.144 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.876 -2.747 4.129 1.00 0.00 H new ATOM 1319 N LYS A 90 -11.394 -0.718 -0.700 1.00 0.00 N ATOM 1320 CA LYS A 90 -12.128 -0.071 -1.735 1.00 0.00 C ATOM 1321 C LYS A 90 -11.839 1.419 -1.660 1.00 0.00 C ATOM 1322 O LYS A 90 -12.580 2.188 -1.054 1.00 0.00 O ATOM 1323 CB LYS A 90 -13.590 -0.360 -1.549 1.00 0.00 C ATOM 1324 CG LYS A 90 -14.374 -0.510 -2.821 1.00 0.00 C ATOM 1325 CD LYS A 90 -15.632 -1.307 -2.591 1.00 0.00 C ATOM 1326 CE LYS A 90 -16.407 -0.737 -1.435 1.00 0.00 C ATOM 1327 NZ LYS A 90 -17.682 -1.467 -1.220 1.00 0.00 N ATOM 0 H LYS A 90 -11.956 -1.006 0.101 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.835 -0.436 -2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -13.693 -1.276 -0.966 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.032 0.444 -0.960 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -14.630 0.475 -3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.760 -1.003 -3.575 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.247 -1.296 -3.491 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.379 -2.348 -2.390 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.801 -0.787 -0.530 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -16.617 0.316 -1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -18.396 -0.814 -0.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -18.017 -1.855 -2.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -17.528 -2.244 -0.546 1.00 0.00 H new ATOM 1341 N CYS A 91 -10.737 1.803 -2.264 1.00 0.00 N ATOM 1342 CA CYS A 91 -10.275 3.172 -2.211 1.00 0.00 C ATOM 1343 C CYS A 91 -10.754 3.900 -3.441 1.00 0.00 C ATOM 1344 O CYS A 91 -10.414 3.512 -4.548 1.00 0.00 O ATOM 1345 CB CYS A 91 -8.749 3.242 -2.158 1.00 0.00 C ATOM 1346 SG CYS A 91 -8.120 4.938 -2.182 1.00 0.00 S ATOM 0 H CYS A 91 -10.138 1.178 -2.804 1.00 0.00 H new ATOM 0 HA CYS A 91 -10.674 3.634 -1.308 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -8.399 2.743 -1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -8.336 2.695 -3.005 1.00 0.00 H new ATOM 0 HG CYS A 91 -8.600 5.593 -1.167 1.00 0.00 H new ATOM 1352 N ALA A 92 -11.525 4.954 -3.284 1.00 0.00 N ATOM 1353 CA ALA A 92 -12.000 5.663 -4.455 1.00 0.00 C ATOM 1354 C ALA A 92 -10.891 6.487 -5.091 1.00 0.00 C ATOM 1355 O ALA A 92 -11.074 7.086 -6.148 1.00 0.00 O ATOM 1356 CB ALA A 92 -13.225 6.489 -4.152 1.00 0.00 C ATOM 0 H ALA A 92 -11.830 5.331 -2.387 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.304 4.917 -5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -13.549 7.004 -5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -14.025 5.838 -3.799 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -12.988 7.223 -3.381 1.00 0.00 H new ATOM 1362 N ARG A 93 -9.740 6.512 -4.439 1.00 0.00 N ATOM 1363 CA ARG A 93 -8.519 6.989 -5.065 1.00 0.00 C ATOM 1364 C ARG A 93 -7.603 5.816 -5.335 1.00 0.00 C ATOM 1365 O ARG A 93 -6.419 6.004 -5.401 1.00 0.00 O ATOM 1366 CB ARG A 93 -7.747 7.992 -4.193 1.00 0.00 C ATOM 1367 CG ARG A 93 -8.151 9.446 -4.348 1.00 0.00 C ATOM 1368 CD ARG A 93 -9.651 9.658 -4.217 1.00 0.00 C ATOM 1369 NE ARG A 93 -9.979 11.070 -4.044 1.00 0.00 N ATOM 1370 CZ ARG A 93 -11.180 11.524 -3.689 1.00 0.00 C ATOM 1371 NH1 ARG A 93 -12.203 10.688 -3.564 1.00 0.00 N ATOM 1372 NH2 ARG A 93 -11.363 12.820 -3.483 1.00 0.00 N ATOM 0 H ARG A 93 -9.626 6.206 -3.473 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.818 7.494 -5.983 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -7.872 7.709 -3.148 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -6.685 7.903 -4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -7.637 10.043 -3.595 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -7.821 9.808 -5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.153 9.273 -5.105 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -10.027 9.089 -3.367 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.240 11.754 -4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.072 9.692 -3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.120 11.042 -3.292 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.585 13.469 -3.596 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.282 13.168 -3.211 1.00 0.00 H new ATOM 1386 N ALA A 94 -8.154 4.608 -5.456 1.00 0.00 N ATOM 1387 CA ALA A 94 -7.342 3.393 -5.638 1.00 0.00 C ATOM 1388 C ALA A 94 -6.246 3.618 -6.647 1.00 0.00 C ATOM 1389 O ALA A 94 -5.080 3.393 -6.381 1.00 0.00 O ATOM 1390 CB ALA A 94 -8.188 2.257 -6.160 1.00 0.00 C ATOM 0 H ALA A 94 -9.160 4.439 -5.432 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.921 3.150 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.568 1.370 -6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.987 2.043 -5.450 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -8.621 2.537 -7.120 1.00 0.00 H new ATOM 1396 N GLU A 95 -6.678 4.015 -7.825 1.00 0.00 N ATOM 1397 CA GLU A 95 -5.785 4.395 -8.917 1.00 0.00 C ATOM 1398 C GLU A 95 -4.675 5.304 -8.421 1.00 0.00 C ATOM 1399 O GLU A 95 -3.492 4.974 -8.512 1.00 0.00 O ATOM 1400 CB GLU A 95 -6.591 5.095 -10.017 1.00 0.00 C ATOM 1401 CG GLU A 95 -7.886 5.723 -9.519 1.00 0.00 C ATOM 1402 CD GLU A 95 -8.736 6.285 -10.634 1.00 0.00 C ATOM 1403 OE1 GLU A 95 -9.372 5.485 -11.359 1.00 0.00 O ATOM 1404 OE2 GLU A 95 -8.786 7.521 -10.789 1.00 0.00 O ATOM 0 H GLU A 95 -7.668 4.086 -8.061 1.00 0.00 H new ATOM 0 HA GLU A 95 -5.325 3.493 -9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -5.973 5.869 -10.472 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.825 4.373 -10.800 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.460 4.974 -8.974 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.649 6.519 -8.813 1.00 0.00 H new ATOM 1411 N GLU A 96 -5.092 6.436 -7.902 1.00 0.00 N ATOM 1412 CA GLU A 96 -4.207 7.431 -7.322 1.00 0.00 C ATOM 1413 C GLU A 96 -3.328 6.830 -6.234 1.00 0.00 C ATOM 1414 O GLU A 96 -2.115 6.991 -6.252 1.00 0.00 O ATOM 1415 CB GLU A 96 -5.085 8.524 -6.728 1.00 0.00 C ATOM 1416 CG GLU A 96 -4.362 9.780 -6.334 1.00 0.00 C ATOM 1417 CD GLU A 96 -3.586 10.401 -7.472 1.00 0.00 C ATOM 1418 OE1 GLU A 96 -4.202 10.738 -8.508 1.00 0.00 O ATOM 1419 OE2 GLU A 96 -2.358 10.554 -7.345 1.00 0.00 O ATOM 0 H GLU A 96 -6.077 6.700 -7.869 1.00 0.00 H new ATOM 0 HA GLU A 96 -3.543 7.826 -8.091 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -5.858 8.781 -7.452 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.591 8.124 -5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.084 10.504 -5.957 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -3.678 9.556 -5.515 1.00 0.00 H new ATOM 1426 N LEU A 97 -3.959 6.146 -5.297 1.00 0.00 N ATOM 1427 CA LEU A 97 -3.297 5.555 -4.172 1.00 0.00 C ATOM 1428 C LEU A 97 -2.289 4.528 -4.617 1.00 0.00 C ATOM 1429 O LEU A 97 -1.105 4.669 -4.357 1.00 0.00 O ATOM 1430 CB LEU A 97 -4.326 4.908 -3.268 1.00 0.00 C ATOM 1431 CG LEU A 97 -3.908 4.884 -1.819 1.00 0.00 C ATOM 1432 CD1 LEU A 97 -5.099 4.949 -0.939 1.00 0.00 C ATOM 1433 CD2 LEU A 97 -3.175 3.611 -1.530 1.00 0.00 C ATOM 0 H LEU A 97 -4.967 5.988 -5.307 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.767 6.337 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.270 5.445 -3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.507 3.887 -3.605 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.265 5.744 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.782 4.931 0.104 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -5.647 5.870 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.745 4.094 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.873 3.595 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.827 2.762 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.290 3.549 -2.163 1.00 0.00 H new ATOM 1445 N PHE A 98 -2.767 3.500 -5.288 1.00 0.00 N ATOM 1446 CA PHE A 98 -1.902 2.464 -5.793 1.00 0.00 C ATOM 1447 C PHE A 98 -0.712 3.096 -6.516 1.00 0.00 C ATOM 1448 O PHE A 98 0.429 2.798 -6.197 1.00 0.00 O ATOM 1449 CB PHE A 98 -2.672 1.525 -6.728 1.00 0.00 C ATOM 1450 CG PHE A 98 -1.772 0.797 -7.660 1.00 0.00 C ATOM 1451 CD1 PHE A 98 -0.789 0.003 -7.142 1.00 0.00 C ATOM 1452 CD2 PHE A 98 -1.859 0.961 -9.031 1.00 0.00 C ATOM 1453 CE1 PHE A 98 0.115 -0.615 -7.954 1.00 0.00 C ATOM 1454 CE2 PHE A 98 -0.965 0.320 -9.864 1.00 0.00 C ATOM 1455 CZ PHE A 98 0.033 -0.463 -9.317 1.00 0.00 C ATOM 0 H PHE A 98 -3.756 3.363 -5.495 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.532 1.871 -4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -3.235 0.806 -6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -3.397 2.102 -7.302 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.727 -0.137 -6.073 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -2.629 1.592 -9.450 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.897 -1.225 -7.525 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.045 0.430 -10.935 1.00 0.00 H new ATOM 0 HZ PHE A 98 0.748 -0.955 -9.960 1.00 0.00 H new ATOM 1465 N ASN A 99 -1.006 3.983 -7.465 1.00 0.00 N ATOM 1466 CA ASN A 99 0.022 4.760 -8.175 1.00 0.00 C ATOM 1467 C ASN A 99 0.952 5.413 -7.207 1.00 0.00 C ATOM 1468 O ASN A 99 2.118 5.063 -7.177 1.00 0.00 O ATOM 1469 CB ASN A 99 -0.604 5.849 -9.047 1.00 0.00 C ATOM 1470 CG ASN A 99 0.330 6.306 -10.155 1.00 0.00 C ATOM 1471 OD1 ASN A 99 1.138 5.531 -10.667 1.00 0.00 O ATOM 1472 ND2 ASN A 99 0.227 7.570 -10.530 1.00 0.00 N ATOM 0 H ASN A 99 -1.959 4.187 -7.767 1.00 0.00 H new ATOM 0 HA ASN A 99 0.569 4.060 -8.807 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -1.529 5.474 -9.486 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.870 6.703 -8.424 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.830 7.934 -11.268 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.455 8.181 -10.081 1.00 0.00 H new ATOM 1479 N MET A 100 0.423 6.332 -6.413 1.00 0.00 N ATOM 1480 CA MET A 100 1.212 7.083 -5.463 1.00 0.00 C ATOM 1481 C MET A 100 2.127 6.132 -4.725 1.00 0.00 C ATOM 1482 O MET A 100 3.337 6.306 -4.711 1.00 0.00 O ATOM 1483 CB MET A 100 0.287 7.796 -4.489 1.00 0.00 C ATOM 1484 CG MET A 100 0.989 8.793 -3.600 1.00 0.00 C ATOM 1485 SD MET A 100 0.286 8.871 -1.961 1.00 0.00 S ATOM 1486 CE MET A 100 -1.398 9.194 -2.398 1.00 0.00 C ATOM 0 H MET A 100 -0.568 6.574 -6.414 1.00 0.00 H new ATOM 0 HA MET A 100 1.815 7.829 -5.980 1.00 0.00 H new ATOM 0 HB2 MET A 100 -0.491 8.311 -5.052 1.00 0.00 H new ATOM 0 HB3 MET A 100 -0.210 7.053 -3.865 1.00 0.00 H new ATOM 0 HG2 MET A 100 2.044 8.528 -3.526 1.00 0.00 H new ATOM 0 HG3 MET A 100 0.940 9.780 -4.059 1.00 0.00 H new ATOM 0 HE1 MET A 100 -1.999 9.276 -1.493 1.00 0.00 H new ATOM 0 HE2 MET A 100 -1.456 10.127 -2.958 1.00 0.00 H new ATOM 0 HE3 MET A 100 -1.777 8.378 -3.013 1.00 0.00 H new ATOM 1496 N LEU A 101 1.524 5.105 -4.156 1.00 0.00 N ATOM 1497 CA LEU A 101 2.245 3.992 -3.558 1.00 0.00 C ATOM 1498 C LEU A 101 3.379 3.486 -4.448 1.00 0.00 C ATOM 1499 O LEU A 101 4.528 3.480 -4.010 1.00 0.00 O ATOM 1500 CB LEU A 101 1.252 2.867 -3.251 1.00 0.00 C ATOM 1501 CG LEU A 101 1.813 1.462 -3.082 1.00 0.00 C ATOM 1502 CD1 LEU A 101 2.861 1.404 -1.999 1.00 0.00 C ATOM 1503 CD2 LEU A 101 0.679 0.509 -2.776 1.00 0.00 C ATOM 0 H LEU A 101 0.510 5.017 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 101 2.712 4.341 -2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.719 3.129 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.515 2.841 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 101 2.300 1.170 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.236 0.384 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.684 2.072 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.422 1.713 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.074 -0.499 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.182 0.818 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.038 0.521 -3.597 1.00 0.00 H new ATOM 1515 N GLN A 102 3.081 3.059 -5.682 1.00 0.00 N ATOM 1516 CA GLN A 102 4.138 2.548 -6.545 1.00 0.00 C ATOM 1517 C GLN A 102 5.207 3.620 -6.751 1.00 0.00 C ATOM 1518 O GLN A 102 6.387 3.315 -6.708 1.00 0.00 O ATOM 1519 CB GLN A 102 3.674 2.031 -7.916 1.00 0.00 C ATOM 1520 CG GLN A 102 2.223 1.983 -8.167 1.00 0.00 C ATOM 1521 CD GLN A 102 1.957 2.092 -9.660 1.00 0.00 C ATOM 1522 OE1 GLN A 102 0.789 2.570 -10.042 1.00 0.00 O flip ATOM 1523 NE2 GLN A 102 2.799 1.707 -10.473 1.00 0.00 N flip ATOM 0 H GLN A 102 2.146 3.058 -6.090 1.00 0.00 H new ATOM 0 HA GLN A 102 4.535 1.680 -6.018 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.128 2.658 -8.684 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.072 1.025 -8.049 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.808 1.052 -7.781 1.00 0.00 H new ATOM 0 HG3 GLN A 102 1.726 2.797 -7.639 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.694 1.342 -10.146 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.601 1.753 -11.473 1.00 0.00 H new ATOM 1532 N GLU A 103 4.796 4.879 -6.947 1.00 0.00 N ATOM 1533 CA GLU A 103 5.758 5.973 -7.135 1.00 0.00 C ATOM 1534 C GLU A 103 6.585 6.170 -5.886 1.00 0.00 C ATOM 1535 O GLU A 103 7.793 6.296 -5.965 1.00 0.00 O ATOM 1536 CB GLU A 103 5.101 7.312 -7.462 1.00 0.00 C ATOM 1537 CG GLU A 103 3.643 7.249 -7.784 1.00 0.00 C ATOM 1538 CD GLU A 103 3.118 8.543 -8.356 1.00 0.00 C ATOM 1539 OE1 GLU A 103 3.166 8.717 -9.590 1.00 0.00 O ATOM 1540 OE2 GLU A 103 2.661 9.399 -7.572 1.00 0.00 O ATOM 0 H GLU A 103 3.817 5.164 -6.979 1.00 0.00 H new ATOM 0 HA GLU A 103 6.374 5.672 -7.983 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.240 7.982 -6.614 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.624 7.757 -8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 103 3.467 6.443 -8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.085 7.003 -6.880 1.00 0.00 H new ATOM 1547 N ILE A 104 5.939 6.230 -4.734 1.00 0.00 N ATOM 1548 CA ILE A 104 6.668 6.327 -3.486 1.00 0.00 C ATOM 1549 C ILE A 104 7.664 5.182 -3.404 1.00 0.00 C ATOM 1550 O ILE A 104 8.820 5.373 -3.029 1.00 0.00 O ATOM 1551 CB ILE A 104 5.755 6.319 -2.251 1.00 0.00 C ATOM 1552 CG1 ILE A 104 4.993 7.627 -2.143 1.00 0.00 C ATOM 1553 CG2 ILE A 104 6.586 6.119 -1.013 1.00 0.00 C ATOM 1554 CD1 ILE A 104 3.507 7.456 -2.079 1.00 0.00 C ATOM 0 H ILE A 104 4.924 6.213 -4.639 1.00 0.00 H new ATOM 0 HA ILE A 104 7.183 7.288 -3.482 1.00 0.00 H new ATOM 0 HB ILE A 104 5.039 5.503 -2.351 1.00 0.00 H new ATOM 0 HG12 ILE A 104 5.327 8.159 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 104 5.241 8.253 -3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.938 6.113 -0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 104 7.115 5.168 -1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.308 6.930 -0.925 1.00 0.00 H new ATOM 0 HD11 ILE A 104 3.031 8.434 -2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 104 3.159 6.953 -2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.247 6.857 -1.206 1.00 0.00 H new ATOM 1566 N MET A 105 7.213 4.005 -3.816 1.00 0.00 N ATOM 1567 CA MET A 105 8.079 2.847 -3.919 1.00 0.00 C ATOM 1568 C MET A 105 9.264 3.140 -4.835 1.00 0.00 C ATOM 1569 O MET A 105 10.416 2.880 -4.492 1.00 0.00 O ATOM 1570 CB MET A 105 7.315 1.649 -4.455 1.00 0.00 C ATOM 1571 CG MET A 105 6.306 1.090 -3.480 1.00 0.00 C ATOM 1572 SD MET A 105 6.176 -0.691 -3.616 1.00 0.00 S ATOM 1573 CE MET A 105 5.169 -1.028 -2.192 1.00 0.00 C ATOM 0 H MET A 105 6.245 3.830 -4.085 1.00 0.00 H new ATOM 0 HA MET A 105 8.446 2.618 -2.919 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.801 1.937 -5.372 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.024 0.865 -4.720 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.594 1.358 -2.463 1.00 0.00 H new ATOM 0 HG3 MET A 105 5.331 1.542 -3.665 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.708 -1.690 -1.514 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.938 -0.094 -1.680 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.242 -1.507 -2.507 1.00 0.00 H new ATOM 1583 N GLN A 106 8.949 3.700 -5.997 1.00 0.00 N ATOM 1584 CA GLN A 106 9.928 4.029 -7.018 1.00 0.00 C ATOM 1585 C GLN A 106 10.918 5.083 -6.522 1.00 0.00 C ATOM 1586 O GLN A 106 12.128 4.957 -6.689 1.00 0.00 O ATOM 1587 CB GLN A 106 9.197 4.574 -8.238 1.00 0.00 C ATOM 1588 CG GLN A 106 8.238 3.593 -8.874 1.00 0.00 C ATOM 1589 CD GLN A 106 7.203 4.262 -9.758 1.00 0.00 C ATOM 1590 OE1 GLN A 106 6.049 3.632 -9.894 1.00 0.00 O flip ATOM 1591 NE2 GLN A 106 7.447 5.326 -10.328 1.00 0.00 N flip ATOM 0 H GLN A 106 7.992 3.940 -6.257 1.00 0.00 H new ATOM 0 HA GLN A 106 10.485 3.126 -7.267 1.00 0.00 H new ATOM 0 HB2 GLN A 106 8.645 5.468 -7.948 1.00 0.00 H new ATOM 0 HB3 GLN A 106 9.933 4.880 -8.982 1.00 0.00 H new ATOM 0 HG2 GLN A 106 8.803 2.874 -9.467 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.730 3.031 -8.091 1.00 0.00 H new ATOM 0 HE21 GLN A 106 8.351 5.780 -10.196 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.745 5.754 -10.932 1.00 0.00 H new ATOM 1600 N ASN A 107 10.375 6.113 -5.891 1.00 0.00 N ATOM 1601 CA ASN A 107 11.114 7.337 -5.605 1.00 0.00 C ATOM 1602 C ASN A 107 11.797 7.331 -4.240 1.00 0.00 C ATOM 1603 O ASN A 107 12.816 7.993 -4.061 1.00 0.00 O ATOM 1604 CB ASN A 107 10.174 8.537 -5.699 1.00 0.00 C ATOM 1605 CG ASN A 107 9.730 8.836 -7.118 1.00 0.00 C ATOM 1606 OD1 ASN A 107 10.389 9.573 -7.848 1.00 0.00 O ATOM 1607 ND2 ASN A 107 8.602 8.271 -7.512 1.00 0.00 N ATOM 0 H ASN A 107 9.410 6.126 -5.562 1.00 0.00 H new ATOM 0 HA ASN A 107 11.905 7.405 -6.352 1.00 0.00 H new ATOM 0 HB2 ASN A 107 9.295 8.352 -5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 107 10.673 9.415 -5.288 1.00 0.00 H new ATOM 0 HD21 ASN A 107 8.248 8.441 -8.454 1.00 0.00 H new ATOM 0 HD22 ASN A 107 8.085 7.665 -6.874 1.00 0.00 H new ATOM 1614 N ASN A 108 11.260 6.597 -3.273 1.00 0.00 N ATOM 1615 CA ASN A 108 11.796 6.657 -1.916 1.00 0.00 C ATOM 1616 C ASN A 108 12.831 5.579 -1.697 1.00 0.00 C ATOM 1617 O ASN A 108 13.732 5.734 -0.869 1.00 0.00 O ATOM 1618 CB ASN A 108 10.693 6.567 -0.847 1.00 0.00 C ATOM 1619 CG ASN A 108 9.900 7.858 -0.746 1.00 0.00 C ATOM 1620 OD1 ASN A 108 8.919 8.018 -1.615 1.00 0.00 O flip ATOM 1621 ND2 ASN A 108 10.186 8.712 0.091 1.00 0.00 N flip ATOM 0 H ASN A 108 10.469 5.965 -3.397 1.00 0.00 H new ATOM 0 HA ASN A 108 12.273 7.631 -1.809 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.020 5.744 -1.088 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.141 6.339 0.120 1.00 0.00 H new ATOM 0 HD21 ASN A 108 10.952 8.549 0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 108 9.657 9.583 0.132 1.00 0.00 H new ATOM 1628 N SER A 109 12.690 4.485 -2.446 1.00 0.00 N ATOM 1629 CA SER A 109 13.540 3.293 -2.291 1.00 0.00 C ATOM 1630 C SER A 109 13.218 2.586 -0.972 1.00 0.00 C ATOM 1631 O SER A 109 13.454 1.385 -0.833 1.00 0.00 O ATOM 1632 CB SER A 109 15.031 3.655 -2.365 1.00 0.00 C ATOM 1633 OG SER A 109 15.846 2.496 -2.283 1.00 0.00 O ATOM 0 H SER A 109 11.985 4.395 -3.178 1.00 0.00 H new ATOM 0 HA SER A 109 13.327 2.613 -3.116 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.234 4.180 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 109 15.283 4.338 -1.553 1.00 0.00 H new ATOM 0 HG SER A 109 16.790 2.755 -2.334 1.00 0.00 H new ATOM 1639 N ILE A 110 12.673 3.343 -0.024 1.00 0.00 N ATOM 1640 CA ILE A 110 12.114 2.807 1.201 1.00 0.00 C ATOM 1641 C ILE A 110 13.157 2.124 2.066 1.00 0.00 C ATOM 1642 O ILE A 110 13.524 0.959 1.855 1.00 0.00 O ATOM 1643 CB ILE A 110 10.942 1.856 0.939 1.00 0.00 C ATOM 1644 CG1 ILE A 110 9.752 2.622 0.397 1.00 0.00 C ATOM 1645 CG2 ILE A 110 10.557 1.159 2.212 1.00 0.00 C ATOM 1646 CD1 ILE A 110 9.906 3.142 -1.005 1.00 0.00 C ATOM 0 H ILE A 110 12.609 4.359 -0.091 1.00 0.00 H new ATOM 0 HA ILE A 110 11.735 3.669 1.750 1.00 0.00 H new ATOM 0 HB ILE A 110 11.251 1.116 0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 110 8.877 1.973 0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 110 9.551 3.464 1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 110 9.723 0.484 2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 110 11.407 0.588 2.586 1.00 0.00 H new ATOM 0 HG23 ILE A 110 10.261 1.898 2.956 1.00 0.00 H new ATOM 0 HD11 ILE A 110 9.001 3.674 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 110 10.757 3.822 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 110 10.072 2.308 -1.686 1.00 0.00 H new ATOM 1658 N ASN A 111 13.631 2.860 3.048 1.00 0.00 N ATOM 1659 CA ASN A 111 14.556 2.316 4.011 1.00 0.00 C ATOM 1660 C ASN A 111 14.082 2.623 5.413 1.00 0.00 C ATOM 1661 O ASN A 111 13.761 3.769 5.740 1.00 0.00 O ATOM 1662 CB ASN A 111 15.968 2.867 3.799 1.00 0.00 C ATOM 1663 CG ASN A 111 16.472 2.644 2.386 1.00 0.00 C ATOM 1664 OD1 ASN A 111 16.352 3.512 1.520 1.00 0.00 O ATOM 1665 ND2 ASN A 111 17.022 1.471 2.135 1.00 0.00 N ATOM 0 H ASN A 111 13.388 3.839 3.198 1.00 0.00 H new ATOM 0 HA ASN A 111 14.593 1.236 3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 111 15.975 3.934 4.020 1.00 0.00 H new ATOM 0 HB3 ASN A 111 16.650 2.391 4.504 1.00 0.00 H new ATOM 0 HD21 ASN A 111 17.365 1.258 1.198 1.00 0.00 H new ATOM 0 HD22 ASN A 111 17.104 0.777 2.878 1.00 0.00 H new ATOM 1672 N VAL A 112 14.014 1.584 6.222 1.00 0.00 N ATOM 1673 CA VAL A 112 13.659 1.717 7.615 1.00 0.00 C ATOM 1674 C VAL A 112 14.817 2.362 8.347 1.00 0.00 C ATOM 1675 O VAL A 112 15.775 1.689 8.730 1.00 0.00 O ATOM 1676 CB VAL A 112 13.344 0.346 8.240 1.00 0.00 C ATOM 1677 CG1 VAL A 112 12.848 0.500 9.670 1.00 0.00 C ATOM 1678 CG2 VAL A 112 12.327 -0.393 7.391 1.00 0.00 C ATOM 0 H VAL A 112 14.204 0.626 5.929 1.00 0.00 H new ATOM 0 HA VAL A 112 12.765 2.335 7.699 1.00 0.00 H new ATOM 0 HB VAL A 112 14.263 -0.240 8.270 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.633 -0.483 10.088 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.615 0.990 10.270 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.941 1.104 9.677 1.00 0.00 H new ATOM 0 HG21 VAL A 112 12.111 -1.362 7.842 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.409 0.192 7.331 1.00 0.00 H new ATOM 0 HG23 VAL A 112 12.729 -0.541 6.389 1.00 0.00 H new ATOM 1688 N VAL A 113 14.752 3.671 8.489 1.00 0.00 N ATOM 1689 CA VAL A 113 15.841 4.405 9.088 1.00 0.00 C ATOM 1690 C VAL A 113 15.850 4.193 10.590 1.00 0.00 C ATOM 1691 O VAL A 113 14.830 3.816 11.177 1.00 0.00 O ATOM 1692 CB VAL A 113 15.754 5.918 8.785 1.00 0.00 C ATOM 1693 CG1 VAL A 113 15.037 6.671 9.900 1.00 0.00 C ATOM 1694 CG2 VAL A 113 17.139 6.488 8.559 1.00 0.00 C ATOM 0 H VAL A 113 13.959 4.243 8.198 1.00 0.00 H new ATOM 0 HA VAL A 113 16.765 4.025 8.653 1.00 0.00 H new ATOM 0 HB VAL A 113 15.169 6.045 7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 113 14.994 7.732 9.653 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.024 6.283 10.009 1.00 0.00 H new ATOM 0 HG13 VAL A 113 15.579 6.538 10.836 1.00 0.00 H new ATOM 0 HG21 VAL A 113 17.063 7.554 8.347 1.00 0.00 H new ATOM 0 HG22 VAL A 113 17.744 6.338 9.453 1.00 0.00 H new ATOM 0 HG23 VAL A 113 17.607 5.982 7.715 1.00 0.00 H new ATOM 1704 N GLU A 114 17.001 4.443 11.188 1.00 0.00 N ATOM 1705 CA GLU A 114 17.165 4.409 12.625 1.00 0.00 C ATOM 1706 C GLU A 114 16.613 3.131 13.236 1.00 0.00 C ATOM 1707 O GLU A 114 15.542 3.117 13.854 1.00 0.00 O ATOM 1708 CB GLU A 114 16.516 5.635 13.232 1.00 0.00 C ATOM 1709 CG GLU A 114 17.219 6.906 12.846 1.00 0.00 C ATOM 1710 CD GLU A 114 16.541 8.141 13.383 1.00 0.00 C ATOM 1711 OE1 GLU A 114 16.673 8.410 14.596 1.00 0.00 O ATOM 1712 OE2 GLU A 114 15.893 8.863 12.599 1.00 0.00 O ATOM 0 H GLU A 114 17.855 4.677 10.682 1.00 0.00 H new ATOM 0 HA GLU A 114 18.232 4.418 12.850 1.00 0.00 H new ATOM 0 HB2 GLU A 114 15.475 5.687 12.913 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.512 5.541 14.318 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.245 6.873 13.213 1.00 0.00 H new ATOM 0 HG3 GLU A 114 17.271 6.970 11.759 1.00 0.00 H new ATOM 1719 N GLU A 115 17.358 2.065 13.060 1.00 0.00 N ATOM 1720 CA GLU A 115 16.991 0.779 13.614 1.00 0.00 C ATOM 1721 C GLU A 115 17.815 0.509 14.851 1.00 0.00 C ATOM 1722 O GLU A 115 19.044 0.540 14.789 1.00 0.00 O ATOM 1723 CB GLU A 115 17.228 -0.339 12.604 1.00 0.00 C ATOM 1724 CG GLU A 115 16.383 -0.225 11.355 1.00 0.00 C ATOM 1725 CD GLU A 115 16.731 -1.286 10.338 1.00 0.00 C ATOM 1726 OE1 GLU A 115 17.632 -1.041 9.510 1.00 0.00 O ATOM 1727 OE2 GLU A 115 16.118 -2.373 10.364 1.00 0.00 O ATOM 0 H GLU A 115 18.231 2.062 12.532 1.00 0.00 H new ATOM 0 HA GLU A 115 15.931 0.805 13.865 1.00 0.00 H new ATOM 0 HB2 GLU A 115 18.280 -0.342 12.320 1.00 0.00 H new ATOM 0 HB3 GLU A 115 17.024 -1.297 13.083 1.00 0.00 H new ATOM 0 HG2 GLU A 115 15.329 -0.310 11.621 1.00 0.00 H new ATOM 0 HG3 GLU A 115 16.522 0.761 10.912 1.00 0.00 H new ATOM 1734 N PRO A 116 17.165 0.272 15.995 1.00 0.00 N ATOM 1735 CA PRO A 116 17.849 -0.146 17.215 1.00 0.00 C ATOM 1736 C PRO A 116 18.427 -1.549 17.074 1.00 0.00 C ATOM 1737 O PRO A 116 17.969 -2.475 17.738 1.00 0.00 O ATOM 1738 CB PRO A 116 16.757 -0.120 18.289 1.00 0.00 C ATOM 1739 CG PRO A 116 15.626 0.626 17.688 1.00 0.00 C ATOM 1740 CD PRO A 116 15.721 0.417 16.206 1.00 0.00 C ATOM 0 HA PRO A 116 18.692 0.503 17.454 1.00 0.00 H new ATOM 0 HB2 PRO A 116 16.457 -1.130 18.567 1.00 0.00 H new ATOM 0 HB3 PRO A 116 17.111 0.369 19.197 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.673 0.262 18.071 1.00 0.00 H new ATOM 0 HG3 PRO A 116 15.685 1.686 17.935 1.00 0.00 H new ATOM 0 HD2 PRO A 116 15.174 -0.470 15.886 1.00 0.00 H new ATOM 0 HD3 PRO A 116 15.313 1.261 15.651 1.00 0.00 H new ATOM 1748 N VAL A 117 19.430 -1.661 16.189 1.00 0.00 N ATOM 1749 CA VAL A 117 20.138 -2.906 15.839 1.00 0.00 C ATOM 1750 C VAL A 117 19.233 -4.127 15.654 1.00 0.00 C ATOM 1751 O VAL A 117 18.550 -4.582 16.570 1.00 0.00 O ATOM 1752 CB VAL A 117 21.294 -3.237 16.813 1.00 0.00 C ATOM 1753 CG1 VAL A 117 22.384 -2.183 16.713 1.00 0.00 C ATOM 1754 CG2 VAL A 117 20.797 -3.340 18.233 1.00 0.00 C ATOM 0 H VAL A 117 19.786 -0.854 15.676 1.00 0.00 H new ATOM 0 HA VAL A 117 20.564 -2.687 14.860 1.00 0.00 H new ATOM 0 HB VAL A 117 21.708 -4.204 16.529 1.00 0.00 H new ATOM 0 HG11 VAL A 117 23.191 -2.428 17.403 1.00 0.00 H new ATOM 0 HG12 VAL A 117 22.773 -2.157 15.695 1.00 0.00 H new ATOM 0 HG13 VAL A 117 21.971 -1.207 16.969 1.00 0.00 H new ATOM 0 HG21 VAL A 117 21.631 -3.573 18.894 1.00 0.00 H new ATOM 0 HG22 VAL A 117 20.351 -2.391 18.532 1.00 0.00 H new ATOM 0 HG23 VAL A 117 20.049 -4.130 18.300 1.00 0.00 H new ATOM 1764 N VAL A 118 19.258 -4.674 14.450 1.00 0.00 N ATOM 1765 CA VAL A 118 18.508 -5.886 14.149 1.00 0.00 C ATOM 1766 C VAL A 118 19.169 -7.074 14.838 1.00 0.00 C ATOM 1767 O VAL A 118 19.948 -7.812 14.232 1.00 0.00 O ATOM 1768 CB VAL A 118 18.407 -6.146 12.634 1.00 0.00 C ATOM 1769 CG1 VAL A 118 17.480 -7.320 12.379 1.00 0.00 C ATOM 1770 CG2 VAL A 118 17.919 -4.903 11.904 1.00 0.00 C ATOM 0 H VAL A 118 19.789 -4.299 13.664 1.00 0.00 H new ATOM 0 HA VAL A 118 17.493 -5.752 14.522 1.00 0.00 H new ATOM 0 HB VAL A 118 19.398 -6.388 12.250 1.00 0.00 H new ATOM 0 HG11 VAL A 118 17.410 -7.502 11.307 1.00 0.00 H new ATOM 0 HG12 VAL A 118 17.874 -8.208 12.873 1.00 0.00 H new ATOM 0 HG13 VAL A 118 16.490 -7.094 12.774 1.00 0.00 H new ATOM 0 HG21 VAL A 118 17.855 -5.110 10.836 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.934 -4.624 12.279 1.00 0.00 H new ATOM 0 HG23 VAL A 118 18.617 -4.084 12.074 1.00 0.00 H new ATOM 1780 N GLU A 119 18.852 -7.218 16.116 1.00 0.00 N ATOM 1781 CA GLU A 119 19.485 -8.179 17.010 1.00 0.00 C ATOM 1782 C GLU A 119 19.095 -7.826 18.435 1.00 0.00 C ATOM 1783 O GLU A 119 18.728 -8.698 19.222 1.00 0.00 O ATOM 1784 CB GLU A 119 21.013 -8.132 16.886 1.00 0.00 C ATOM 1785 CG GLU A 119 21.732 -9.147 17.760 1.00 0.00 C ATOM 1786 CD GLU A 119 21.480 -10.573 17.324 1.00 0.00 C ATOM 1787 OE1 GLU A 119 20.506 -11.193 17.798 1.00 0.00 O ATOM 1788 OE2 GLU A 119 22.257 -11.088 16.495 1.00 0.00 O ATOM 0 H GLU A 119 18.131 -6.658 16.572 1.00 0.00 H new ATOM 0 HA GLU A 119 19.153 -9.183 16.745 1.00 0.00 H new ATOM 0 HB2 GLU A 119 21.289 -8.303 15.845 1.00 0.00 H new ATOM 0 HB3 GLU A 119 21.359 -7.132 17.148 1.00 0.00 H new ATOM 0 HG2 GLU A 119 22.803 -8.948 17.736 1.00 0.00 H new ATOM 0 HG3 GLU A 119 21.408 -9.025 18.794 1.00 0.00 H new ATOM 1795 N ARG A 120 19.161 -6.528 18.737 1.00 0.00 N ATOM 1796 CA ARG A 120 18.805 -5.996 20.051 1.00 0.00 C ATOM 1797 C ARG A 120 19.487 -6.785 21.162 1.00 0.00 C ATOM 1798 O ARG A 120 18.819 -7.429 21.981 1.00 0.00 O ATOM 1799 CB ARG A 120 17.298 -6.018 20.245 1.00 0.00 C ATOM 1800 CG ARG A 120 16.814 -4.912 21.152 1.00 0.00 C ATOM 1801 CD ARG A 120 16.767 -3.584 20.422 1.00 0.00 C ATOM 1802 NE ARG A 120 16.356 -2.495 21.299 1.00 0.00 N ATOM 1803 CZ ARG A 120 15.290 -1.730 21.083 1.00 0.00 C ATOM 1804 NH1 ARG A 120 14.495 -1.964 20.042 1.00 0.00 N ATOM 1805 NH2 ARG A 120 15.014 -0.736 21.916 1.00 0.00 N ATOM 0 H ARG A 120 19.464 -5.815 18.074 1.00 0.00 H new ATOM 0 HA ARG A 120 19.151 -4.964 20.100 1.00 0.00 H new ATOM 0 HB2 ARG A 120 16.809 -5.928 19.275 1.00 0.00 H new ATOM 0 HB3 ARG A 120 17.003 -6.981 20.662 1.00 0.00 H new ATOM 0 HG2 ARG A 120 15.822 -5.157 21.531 1.00 0.00 H new ATOM 0 HG3 ARG A 120 17.474 -4.832 22.016 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.750 -3.364 20.006 1.00 0.00 H new ATOM 0 HD3 ARG A 120 16.075 -3.655 19.583 1.00 0.00 H new ATOM 0 HE ARG A 120 16.920 -2.308 22.128 1.00 0.00 H new ATOM 0 HH11 ARG A 120 14.702 -2.733 19.405 1.00 0.00 H new ATOM 0 HH12 ARG A 120 13.679 -1.374 19.881 1.00 0.00 H new ATOM 0 HH21 ARG A 120 15.618 -0.561 22.719 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.197 -0.147 21.754 1.00 0.00 H new ATOM 1819 N ASN A 121 20.817 -6.727 21.172 1.00 0.00 N ATOM 1820 CA ASN A 121 21.639 -7.487 22.112 1.00 0.00 C ATOM 1821 C ASN A 121 21.514 -8.986 21.864 1.00 0.00 C ATOM 1822 O ASN A 121 20.499 -9.605 22.194 1.00 0.00 O ATOM 1823 CB ASN A 121 21.285 -7.159 23.570 1.00 0.00 C ATOM 1824 CG ASN A 121 22.095 -7.977 24.560 1.00 0.00 C ATOM 1825 OD1 ASN A 121 23.219 -7.621 24.903 1.00 0.00 O ATOM 1826 ND2 ASN A 121 21.532 -9.073 25.042 1.00 0.00 N ATOM 0 H ASN A 121 21.357 -6.150 20.527 1.00 0.00 H new ATOM 0 HA ASN A 121 22.674 -7.191 21.942 1.00 0.00 H new ATOM 0 HB2 ASN A 121 21.457 -6.098 23.753 1.00 0.00 H new ATOM 0 HB3 ASN A 121 20.223 -7.343 23.734 1.00 0.00 H new ATOM 0 HD21 ASN A 121 22.033 -9.649 25.718 1.00 0.00 H new ATOM 0 HD22 ASN A 121 20.597 -9.342 24.737 1.00 0.00 H new ATOM 1833 N ASN A 122 22.547 -9.552 21.261 1.00 0.00 N ATOM 1834 CA ASN A 122 22.611 -10.988 21.022 1.00 0.00 C ATOM 1835 C ASN A 122 22.477 -11.761 22.335 1.00 0.00 C ATOM 1836 O ASN A 122 21.545 -12.585 22.451 1.00 0.00 O ATOM 1837 CB ASN A 122 23.916 -11.356 20.301 1.00 0.00 C ATOM 1838 CG ASN A 122 25.160 -10.863 21.022 1.00 0.00 C ATOM 1839 OD1 ASN A 122 25.604 -9.732 20.817 1.00 0.00 O ATOM 1840 ND2 ASN A 122 25.752 -11.716 21.839 1.00 0.00 N ATOM 1841 OXT ASN A 122 23.266 -11.506 23.264 1.00 0.00 O ATOM 0 H ASN A 122 23.360 -9.035 20.925 1.00 0.00 H new ATOM 0 HA ASN A 122 21.776 -11.267 20.379 1.00 0.00 H new ATOM 0 HB2 ASN A 122 23.971 -12.439 20.195 1.00 0.00 H new ATOM 0 HB3 ASN A 122 23.898 -10.937 19.295 1.00 0.00 H new ATOM 0 HD21 ASN A 122 26.607 -11.446 22.326 1.00 0.00 H new ATOM 0 HD22 ASN A 122 25.354 -12.644 21.983 1.00 0.00 H new TER 1848 ASN A 122 ATOM 1849 N GLY B 493 0.867 -15.440 -12.124 1.00 0.00 N ATOM 1850 CA GLY B 493 0.672 -15.659 -10.672 1.00 0.00 C ATOM 1851 C GLY B 493 -0.574 -14.965 -10.168 1.00 0.00 C ATOM 1852 O GLY B 493 -1.226 -14.243 -10.922 1.00 0.00 O ATOM 0 HA2 GLY B 493 0.601 -16.728 -10.471 1.00 0.00 H new ATOM 0 HA3 GLY B 493 1.541 -15.289 -10.127 1.00 0.00 H new ATOM 1858 N PRO B 494 -0.928 -15.152 -8.890 1.00 0.00 N ATOM 1859 CA PRO B 494 -2.135 -14.578 -8.306 1.00 0.00 C ATOM 1860 C PRO B 494 -1.948 -13.111 -7.939 1.00 0.00 C ATOM 1861 O PRO B 494 -1.871 -12.759 -6.759 1.00 0.00 O ATOM 1862 CB PRO B 494 -2.370 -15.421 -7.039 1.00 0.00 C ATOM 1863 CG PRO B 494 -1.271 -16.439 -7.004 1.00 0.00 C ATOM 1864 CD PRO B 494 -0.184 -15.929 -7.904 1.00 0.00 C ATOM 0 HA PRO B 494 -2.973 -14.601 -9.003 1.00 0.00 H new ATOM 0 HB2 PRO B 494 -2.350 -14.796 -6.146 1.00 0.00 H new ATOM 0 HB3 PRO B 494 -3.347 -15.904 -7.068 1.00 0.00 H new ATOM 0 HG2 PRO B 494 -0.901 -16.574 -5.988 1.00 0.00 H new ATOM 0 HG3 PRO B 494 -1.631 -17.410 -7.344 1.00 0.00 H new ATOM 0 HD2 PRO B 494 0.536 -15.315 -7.363 1.00 0.00 H new ATOM 0 HD3 PRO B 494 0.375 -16.743 -8.366 1.00 0.00 H new ATOM 1872 N ASP B 495 -1.860 -12.256 -8.950 1.00 0.00 N ATOM 1873 CA ASP B 495 -1.664 -10.838 -8.716 1.00 0.00 C ATOM 1874 C ASP B 495 -2.995 -10.125 -8.570 1.00 0.00 C ATOM 1875 O ASP B 495 -3.218 -9.434 -7.591 1.00 0.00 O ATOM 1876 CB ASP B 495 -0.828 -10.203 -9.841 1.00 0.00 C ATOM 1877 CG ASP B 495 -1.489 -10.265 -11.209 1.00 0.00 C ATOM 1878 OD1 ASP B 495 -2.034 -11.331 -11.571 1.00 0.00 O ATOM 1879 OD2 ASP B 495 -1.473 -9.244 -11.929 1.00 0.00 O ATOM 0 H ASP B 495 -1.921 -12.521 -9.933 1.00 0.00 H new ATOM 0 HA ASP B 495 -1.113 -10.727 -7.782 1.00 0.00 H new ATOM 0 HB2 ASP B 495 -0.631 -9.161 -9.590 1.00 0.00 H new ATOM 0 HB3 ASP B 495 0.137 -10.706 -9.892 1.00 0.00 H new ATOM 1884 N ALA B 496 -3.914 -10.312 -9.486 1.00 0.00 N ATOM 1885 CA ALA B 496 -5.194 -9.676 -9.305 1.00 0.00 C ATOM 1886 C ALA B 496 -5.883 -10.255 -8.096 1.00 0.00 C ATOM 1887 O ALA B 496 -6.093 -11.463 -7.987 1.00 0.00 O ATOM 1888 CB ALA B 496 -6.066 -9.726 -10.537 1.00 0.00 C ATOM 0 H ALA B 496 -3.808 -10.875 -10.330 1.00 0.00 H new ATOM 0 HA ALA B 496 -5.013 -8.615 -9.133 1.00 0.00 H new ATOM 0 HB1 ALA B 496 -7.014 -9.229 -10.332 1.00 0.00 H new ATOM 0 HB2 ALA B 496 -5.562 -9.220 -11.360 1.00 0.00 H new ATOM 0 HB3 ALA B 496 -6.252 -10.765 -10.809 1.00 0.00 H new ATOM 1894 N VAL B 497 -6.130 -9.382 -7.149 1.00 0.00 N ATOM 1895 CA VAL B 497 -6.873 -9.739 -5.954 1.00 0.00 C ATOM 1896 C VAL B 497 -8.335 -9.559 -6.241 1.00 0.00 C ATOM 1897 O VAL B 497 -8.795 -8.465 -6.530 1.00 0.00 O ATOM 1898 CB VAL B 497 -6.436 -8.887 -4.714 1.00 0.00 C ATOM 1899 CG1 VAL B 497 -5.253 -8.039 -5.068 1.00 0.00 C ATOM 1900 CG2 VAL B 497 -7.559 -8.001 -4.180 1.00 0.00 C ATOM 0 H VAL B 497 -5.826 -8.409 -7.180 1.00 0.00 H new ATOM 0 HA VAL B 497 -6.663 -10.778 -5.699 1.00 0.00 H new ATOM 0 HB VAL B 497 -6.174 -9.590 -3.923 1.00 0.00 H new ATOM 0 HG11 VAL B 497 -4.955 -7.450 -4.201 1.00 0.00 H new ATOM 0 HG12 VAL B 497 -4.425 -8.679 -5.374 1.00 0.00 H new ATOM 0 HG13 VAL B 497 -5.517 -7.371 -5.888 1.00 0.00 H new ATOM 0 HG21 VAL B 497 -7.198 -7.434 -3.322 1.00 0.00 H new ATOM 0 HG22 VAL B 497 -7.881 -7.312 -4.961 1.00 0.00 H new ATOM 0 HG23 VAL B 497 -8.400 -8.624 -3.876 1.00 0.00 H new ATOM 1910 N ILE B 498 -9.086 -10.620 -6.240 1.00 0.00 N ATOM 1911 CA ILE B 498 -10.448 -10.447 -6.621 1.00 0.00 C ATOM 1912 C ILE B 498 -11.261 -10.275 -5.375 1.00 0.00 C ATOM 1913 O ILE B 498 -11.879 -11.216 -4.879 1.00 0.00 O ATOM 1914 CB ILE B 498 -11.060 -11.547 -7.508 1.00 0.00 C ATOM 1915 CG1 ILE B 498 -10.185 -12.001 -8.703 1.00 0.00 C ATOM 1916 CG2 ILE B 498 -12.396 -11.043 -8.046 1.00 0.00 C ATOM 1917 CD1 ILE B 498 -8.842 -11.350 -8.849 1.00 0.00 C ATOM 0 H ILE B 498 -8.796 -11.566 -5.993 1.00 0.00 H new ATOM 0 HA ILE B 498 -10.467 -9.565 -7.261 1.00 0.00 H new ATOM 0 HB ILE B 498 -11.161 -12.424 -6.869 1.00 0.00 H new ATOM 0 HG12 ILE B 498 -10.033 -13.077 -8.622 1.00 0.00 H new ATOM 0 HG13 ILE B 498 -10.747 -11.827 -9.620 1.00 0.00 H new ATOM 0 HG21 ILE B 498 -12.846 -11.809 -8.678 1.00 0.00 H new ATOM 0 HG22 ILE B 498 -13.063 -10.821 -7.213 1.00 0.00 H new ATOM 0 HG23 ILE B 498 -12.234 -10.138 -8.632 1.00 0.00 H new ATOM 0 HD11 ILE B 498 -8.333 -11.757 -9.723 1.00 0.00 H new ATOM 0 HD12 ILE B 498 -8.970 -10.275 -8.972 1.00 0.00 H new ATOM 0 HD13 ILE B 498 -8.245 -11.544 -7.958 1.00 0.00 H new ATOM 1929 N ILE B 499 -11.248 -9.066 -4.846 1.00 0.00 N ATOM 1930 CA ILE B 499 -11.896 -8.846 -3.590 1.00 0.00 C ATOM 1931 C ILE B 499 -13.364 -8.548 -3.851 1.00 0.00 C ATOM 1932 O ILE B 499 -13.768 -7.403 -4.064 1.00 0.00 O ATOM 1933 CB ILE B 499 -11.178 -7.744 -2.752 1.00 0.00 C ATOM 1934 CG1 ILE B 499 -9.984 -8.327 -1.977 1.00 0.00 C ATOM 1935 CG2 ILE B 499 -12.129 -7.048 -1.799 1.00 0.00 C ATOM 1936 CD1 ILE B 499 -10.057 -9.819 -1.724 1.00 0.00 C ATOM 0 H ILE B 499 -10.805 -8.247 -5.262 1.00 0.00 H new ATOM 0 HA ILE B 499 -11.834 -9.744 -2.975 1.00 0.00 H new ATOM 0 HB ILE B 499 -10.808 -7.001 -3.458 1.00 0.00 H new ATOM 0 HG12 ILE B 499 -9.070 -8.111 -2.530 1.00 0.00 H new ATOM 0 HG13 ILE B 499 -9.906 -7.814 -1.019 1.00 0.00 H new ATOM 0 HG21 ILE B 499 -11.588 -6.288 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE B 499 -12.932 -6.576 -2.366 1.00 0.00 H new ATOM 0 HG23 ILE B 499 -12.553 -7.778 -1.110 1.00 0.00 H new ATOM 0 HD11 ILE B 499 -9.173 -10.138 -1.172 1.00 0.00 H new ATOM 0 HD12 ILE B 499 -10.950 -10.046 -1.141 1.00 0.00 H new ATOM 0 HD13 ILE B 499 -10.101 -10.348 -2.676 1.00 0.00 H new ATOM 1948 N GLY B 500 -14.130 -9.642 -3.877 1.00 0.00 N ATOM 1949 CA GLY B 500 -15.567 -9.607 -4.080 1.00 0.00 C ATOM 1950 C GLY B 500 -16.019 -8.664 -5.167 1.00 0.00 C ATOM 1951 O GLY B 500 -16.080 -9.033 -6.341 1.00 0.00 O ATOM 0 H GLY B 500 -13.758 -10.584 -3.756 1.00 0.00 H new ATOM 0 HA2 GLY B 500 -15.912 -10.612 -4.321 1.00 0.00 H new ATOM 0 HA3 GLY B 500 -16.047 -9.321 -3.144 1.00 0.00 H new ATOM 1955 N MET B 501 -16.350 -7.452 -4.744 1.00 0.00 N ATOM 1956 CA MET B 501 -16.789 -6.392 -5.611 1.00 0.00 C ATOM 1957 C MET B 501 -15.904 -6.273 -6.843 1.00 0.00 C ATOM 1958 O MET B 501 -16.407 -6.173 -7.959 1.00 0.00 O ATOM 1959 CB MET B 501 -16.779 -5.091 -4.810 1.00 0.00 C ATOM 1960 CG MET B 501 -17.651 -4.008 -5.383 1.00 0.00 C ATOM 1961 SD MET B 501 -16.925 -3.175 -6.810 1.00 0.00 S ATOM 1962 CE MET B 501 -15.529 -2.335 -6.060 1.00 0.00 C ATOM 0 H MET B 501 -16.316 -7.182 -3.761 1.00 0.00 H new ATOM 0 HA MET B 501 -17.796 -6.609 -5.969 1.00 0.00 H new ATOM 0 HB2 MET B 501 -17.103 -5.302 -3.791 1.00 0.00 H new ATOM 0 HB3 MET B 501 -15.755 -4.723 -4.749 1.00 0.00 H new ATOM 0 HG2 MET B 501 -18.609 -4.440 -5.673 1.00 0.00 H new ATOM 0 HG3 MET B 501 -17.856 -3.270 -4.608 1.00 0.00 H new ATOM 0 HE1 MET B 501 -14.732 -2.225 -6.796 1.00 0.00 H new ATOM 0 HE2 MET B 501 -15.841 -1.350 -5.713 1.00 0.00 H new ATOM 0 HE3 MET B 501 -15.164 -2.919 -5.215 1.00 0.00 H new ATOM 1972 N THR B 502 -14.591 -6.302 -6.658 1.00 0.00 N ATOM 1973 CA THR B 502 -13.703 -6.067 -7.783 1.00 0.00 C ATOM 1974 C THR B 502 -12.413 -6.876 -7.749 1.00 0.00 C ATOM 1975 O THR B 502 -11.855 -7.157 -6.690 1.00 0.00 O ATOM 1976 CB THR B 502 -13.402 -4.563 -7.890 1.00 0.00 C ATOM 1977 OG1 THR B 502 -14.319 -3.927 -8.788 1.00 0.00 O ATOM 1978 CG2 THR B 502 -11.997 -4.301 -8.346 1.00 0.00 C ATOM 0 H THR B 502 -14.129 -6.481 -5.766 1.00 0.00 H new ATOM 0 HA THR B 502 -14.230 -6.415 -8.671 1.00 0.00 H new ATOM 0 HB THR B 502 -13.519 -4.146 -6.890 1.00 0.00 H new ATOM 0 HG1 THR B 502 -15.147 -3.710 -8.311 1.00 0.00 H new ATOM 0 HG21 THR B 502 -11.829 -3.226 -8.407 1.00 0.00 H new ATOM 0 HG22 THR B 502 -11.296 -4.738 -7.635 1.00 0.00 H new ATOM 0 HG23 THR B 502 -11.844 -4.749 -9.328 1.00 0.00 H new ATOM 1986 N LYS B 503 -11.967 -7.272 -8.942 1.00 0.00 N ATOM 1987 CA LYS B 503 -10.664 -7.864 -9.118 1.00 0.00 C ATOM 1988 C LYS B 503 -9.587 -6.814 -9.295 1.00 0.00 C ATOM 1989 O LYS B 503 -9.597 -6.064 -10.260 1.00 0.00 O ATOM 1990 CB LYS B 503 -10.670 -8.814 -10.306 1.00 0.00 C ATOM 1991 CG LYS B 503 -9.339 -8.897 -11.040 1.00 0.00 C ATOM 1992 CD LYS B 503 -9.225 -10.156 -11.876 1.00 0.00 C ATOM 1993 CE LYS B 503 -10.552 -10.520 -12.519 1.00 0.00 C ATOM 1994 NZ LYS B 503 -10.969 -9.508 -13.526 1.00 0.00 N ATOM 0 H LYS B 503 -12.506 -7.187 -9.804 1.00 0.00 H new ATOM 0 HA LYS B 503 -10.434 -8.424 -8.212 1.00 0.00 H new ATOM 0 HB2 LYS B 503 -10.945 -9.810 -9.960 1.00 0.00 H new ATOM 0 HB3 LYS B 503 -11.441 -8.496 -11.008 1.00 0.00 H new ATOM 0 HG2 LYS B 503 -9.225 -8.024 -11.683 1.00 0.00 H new ATOM 0 HG3 LYS B 503 -8.524 -8.868 -10.316 1.00 0.00 H new ATOM 0 HD2 LYS B 503 -8.472 -10.013 -12.651 1.00 0.00 H new ATOM 0 HD3 LYS B 503 -8.885 -10.980 -11.249 1.00 0.00 H new ATOM 0 HE2 LYS B 503 -10.470 -11.496 -12.996 1.00 0.00 H new ATOM 0 HE3 LYS B 503 -11.319 -10.605 -11.749 1.00 0.00 H new ATOM 0 HZ1 LYS B 503 -11.900 -9.123 -13.266 1.00 0.00 H new ATOM 0 HZ2 LYS B 503 -10.271 -8.738 -13.554 1.00 0.00 H new ATOM 0 HZ3 LYS B 503 -11.029 -9.955 -14.463 1.00 0.00 H new ATOM 2008 N ILE B 504 -8.643 -6.803 -8.372 1.00 0.00 N ATOM 2009 CA ILE B 504 -7.594 -5.824 -8.350 1.00 0.00 C ATOM 2010 C ILE B 504 -6.340 -6.335 -8.997 1.00 0.00 C ATOM 2011 O ILE B 504 -5.610 -7.119 -8.409 1.00 0.00 O ATOM 2012 CB ILE B 504 -7.229 -5.432 -6.927 1.00 0.00 C ATOM 2013 CG1 ILE B 504 -8.466 -4.988 -6.193 1.00 0.00 C ATOM 2014 CG2 ILE B 504 -6.224 -4.316 -6.957 1.00 0.00 C ATOM 2015 CD1 ILE B 504 -8.160 -4.206 -4.951 1.00 0.00 C ATOM 0 H ILE B 504 -8.590 -7.483 -7.614 1.00 0.00 H new ATOM 0 HA ILE B 504 -7.981 -4.966 -8.899 1.00 0.00 H new ATOM 0 HB ILE B 504 -6.797 -6.290 -6.412 1.00 0.00 H new ATOM 0 HG12 ILE B 504 -9.078 -4.379 -6.858 1.00 0.00 H new ATOM 0 HG13 ILE B 504 -9.059 -5.864 -5.928 1.00 0.00 H new ATOM 0 HG21 ILE B 504 -5.962 -4.035 -5.937 1.00 0.00 H new ATOM 0 HG22 ILE B 504 -5.329 -4.647 -7.483 1.00 0.00 H new ATOM 0 HG23 ILE B 504 -6.651 -3.456 -7.472 1.00 0.00 H new ATOM 0 HD11 ILE B 504 -9.092 -3.914 -4.466 1.00 0.00 H new ATOM 0 HD12 ILE B 504 -7.573 -4.821 -4.269 1.00 0.00 H new ATOM 0 HD13 ILE B 504 -7.593 -3.313 -5.214 1.00 0.00 H new ATOM 2027 N PRO B 505 -6.037 -5.843 -10.175 1.00 0.00 N ATOM 2028 CA PRO B 505 -4.835 -6.204 -10.869 1.00 0.00 C ATOM 2029 C PRO B 505 -3.670 -5.448 -10.255 1.00 0.00 C ATOM 2030 O PRO B 505 -3.481 -4.247 -10.480 1.00 0.00 O ATOM 2031 CB PRO B 505 -5.151 -5.784 -12.297 1.00 0.00 C ATOM 2032 CG PRO B 505 -6.038 -4.603 -12.148 1.00 0.00 C ATOM 2033 CD PRO B 505 -6.800 -4.822 -10.882 1.00 0.00 C ATOM 0 HA PRO B 505 -4.550 -7.255 -10.818 1.00 0.00 H new ATOM 0 HB2 PRO B 505 -4.244 -5.533 -12.847 1.00 0.00 H new ATOM 0 HB3 PRO B 505 -5.645 -6.585 -12.846 1.00 0.00 H new ATOM 0 HG2 PRO B 505 -5.457 -3.682 -12.100 1.00 0.00 H new ATOM 0 HG3 PRO B 505 -6.713 -4.511 -12.999 1.00 0.00 H new ATOM 0 HD2 PRO B 505 -6.873 -3.905 -10.298 1.00 0.00 H new ATOM 0 HD3 PRO B 505 -7.818 -5.154 -11.083 1.00 0.00 H new ATOM 2041 N VAL B 506 -2.967 -6.133 -9.375 1.00 0.00 N ATOM 2042 CA VAL B 506 -1.882 -5.521 -8.638 1.00 0.00 C ATOM 2043 C VAL B 506 -0.535 -5.741 -9.325 1.00 0.00 C ATOM 2044 O VAL B 506 -0.421 -6.479 -10.305 1.00 0.00 O ATOM 2045 CB VAL B 506 -1.813 -6.092 -7.214 1.00 0.00 C ATOM 2046 CG1 VAL B 506 -3.150 -5.986 -6.496 1.00 0.00 C ATOM 2047 CG2 VAL B 506 -1.390 -7.520 -7.268 1.00 0.00 C ATOM 0 H VAL B 506 -3.129 -7.115 -9.153 1.00 0.00 H new ATOM 0 HA VAL B 506 -2.084 -4.450 -8.602 1.00 0.00 H new ATOM 0 HB VAL B 506 -1.085 -5.504 -6.655 1.00 0.00 H new ATOM 0 HG11 VAL B 506 -3.058 -6.401 -5.492 1.00 0.00 H new ATOM 0 HG12 VAL B 506 -3.446 -4.939 -6.430 1.00 0.00 H new ATOM 0 HG13 VAL B 506 -3.906 -6.542 -7.051 1.00 0.00 H new ATOM 0 HG21 VAL B 506 -1.342 -7.924 -6.257 1.00 0.00 H new ATOM 0 HG22 VAL B 506 -2.111 -8.091 -7.853 1.00 0.00 H new ATOM 0 HG23 VAL B 506 -0.407 -7.591 -7.734 1.00 0.00 H new ATOM 2057 N ILE B 507 0.473 -5.080 -8.787 1.00 0.00 N ATOM 2058 CA ILE B 507 1.839 -5.173 -9.270 1.00 0.00 C ATOM 2059 C ILE B 507 2.749 -5.517 -8.103 1.00 0.00 C ATOM 2060 O ILE B 507 2.332 -5.411 -6.957 1.00 0.00 O ATOM 2061 CB ILE B 507 2.282 -3.847 -9.902 1.00 0.00 C ATOM 2062 CG1 ILE B 507 2.537 -2.822 -8.831 1.00 0.00 C ATOM 2063 CG2 ILE B 507 1.189 -3.323 -10.802 1.00 0.00 C ATOM 2064 CD1 ILE B 507 3.153 -1.544 -9.338 1.00 0.00 C ATOM 0 H ILE B 507 0.364 -4.453 -7.990 1.00 0.00 H new ATOM 0 HA ILE B 507 1.898 -5.950 -10.032 1.00 0.00 H new ATOM 0 HB ILE B 507 3.194 -4.025 -10.473 1.00 0.00 H new ATOM 0 HG12 ILE B 507 1.595 -2.587 -8.336 1.00 0.00 H new ATOM 0 HG13 ILE B 507 3.194 -3.256 -8.077 1.00 0.00 H new ATOM 0 HG21 ILE B 507 1.506 -2.381 -11.249 1.00 0.00 H new ATOM 0 HG22 ILE B 507 0.987 -4.049 -11.590 1.00 0.00 H new ATOM 0 HG23 ILE B 507 0.283 -3.160 -10.218 1.00 0.00 H new ATOM 0 HD11 ILE B 507 3.305 -0.858 -8.505 1.00 0.00 H new ATOM 0 HD12 ILE B 507 4.112 -1.763 -9.807 1.00 0.00 H new ATOM 0 HD13 ILE B 507 2.488 -1.085 -10.070 1.00 0.00 H new ATOM 2076 N GLU B 508 3.968 -5.940 -8.376 1.00 0.00 N ATOM 2077 CA GLU B 508 4.880 -6.317 -7.310 1.00 0.00 C ATOM 2078 C GLU B 508 5.875 -5.202 -7.012 1.00 0.00 C ATOM 2079 O GLU B 508 6.227 -4.404 -7.885 1.00 0.00 O ATOM 2080 CB GLU B 508 5.586 -7.623 -7.656 1.00 0.00 C ATOM 2081 CG GLU B 508 4.645 -8.809 -7.626 1.00 0.00 C ATOM 2082 CD GLU B 508 5.294 -10.091 -8.087 1.00 0.00 C ATOM 2083 OE1 GLU B 508 6.046 -10.708 -7.304 1.00 0.00 O ATOM 2084 OE2 GLU B 508 5.044 -10.500 -9.239 1.00 0.00 O ATOM 0 H GLU B 508 4.349 -6.031 -9.318 1.00 0.00 H new ATOM 0 HA GLU B 508 4.300 -6.477 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU B 508 6.032 -7.541 -8.647 1.00 0.00 H new ATOM 0 HB3 GLU B 508 6.401 -7.791 -6.952 1.00 0.00 H new ATOM 0 HG2 GLU B 508 4.271 -8.943 -6.611 1.00 0.00 H new ATOM 0 HG3 GLU B 508 3.783 -8.597 -8.258 1.00 0.00 H new ATOM 2091 N ASN B 509 6.307 -5.160 -5.759 1.00 0.00 N ATOM 2092 CA ASN B 509 7.128 -4.070 -5.240 1.00 0.00 C ATOM 2093 C ASN B 509 8.572 -4.176 -5.714 1.00 0.00 C ATOM 2094 O ASN B 509 9.086 -5.272 -5.936 1.00 0.00 O ATOM 2095 CB ASN B 509 7.111 -4.088 -3.712 1.00 0.00 C ATOM 2096 CG ASN B 509 7.923 -5.235 -3.137 1.00 0.00 C ATOM 2097 OD1 ASN B 509 9.103 -5.083 -2.853 1.00 0.00 O ATOM 2098 ND2 ASN B 509 7.301 -6.388 -2.961 1.00 0.00 N ATOM 0 H ASN B 509 6.098 -5.883 -5.070 1.00 0.00 H new ATOM 0 HA ASN B 509 6.706 -3.138 -5.615 1.00 0.00 H new ATOM 0 HB2 ASN B 509 7.505 -3.144 -3.336 1.00 0.00 H new ATOM 0 HB3 ASN B 509 6.081 -4.165 -3.364 1.00 0.00 H new ATOM 0 HD21 ASN B 509 7.806 -7.187 -2.577 1.00 0.00 H new ATOM 0 HD22 ASN B 509 6.316 -6.479 -3.209 1.00 0.00 H new ATOM 2105 N PRO B 510 9.237 -3.027 -5.895 1.00 0.00 N ATOM 2106 CA PRO B 510 10.672 -2.967 -6.159 1.00 0.00 C ATOM 2107 C PRO B 510 11.515 -3.009 -4.877 1.00 0.00 C ATOM 2108 O PRO B 510 12.740 -3.030 -4.939 1.00 0.00 O ATOM 2109 CB PRO B 510 10.853 -1.605 -6.855 1.00 0.00 C ATOM 2110 CG PRO B 510 9.487 -1.005 -6.967 1.00 0.00 C ATOM 2111 CD PRO B 510 8.645 -1.690 -5.937 1.00 0.00 C ATOM 0 HA PRO B 510 11.003 -3.821 -6.750 1.00 0.00 H new ATOM 0 HB2 PRO B 510 11.515 -0.959 -6.279 1.00 0.00 H new ATOM 0 HB3 PRO B 510 11.305 -1.728 -7.839 1.00 0.00 H new ATOM 0 HG2 PRO B 510 9.519 0.070 -6.792 1.00 0.00 H new ATOM 0 HG3 PRO B 510 9.077 -1.153 -7.966 1.00 0.00 H new ATOM 0 HD2 PRO B 510 8.698 -1.190 -4.970 1.00 0.00 H new ATOM 0 HD3 PRO B 510 7.594 -1.719 -6.224 1.00 0.00 H new ATOM 2119 N GLN B 511 10.862 -3.036 -3.715 1.00 0.00 N ATOM 2120 CA GLN B 511 11.575 -2.961 -2.439 1.00 0.00 C ATOM 2121 C GLN B 511 12.332 -4.255 -2.147 1.00 0.00 C ATOM 2122 O GLN B 511 13.436 -4.235 -1.608 1.00 0.00 O ATOM 2123 CB GLN B 511 10.599 -2.651 -1.298 1.00 0.00 C ATOM 2124 CG GLN B 511 10.224 -1.176 -1.158 1.00 0.00 C ATOM 2125 CD GLN B 511 10.489 -0.365 -2.408 1.00 0.00 C ATOM 2126 OE1 GLN B 511 9.493 -0.256 -3.263 1.00 0.00 O flip ATOM 2127 NE2 GLN B 511 11.579 0.169 -2.598 1.00 0.00 N flip ATOM 0 H GLN B 511 9.848 -3.109 -3.630 1.00 0.00 H new ATOM 0 HA GLN B 511 12.303 -2.154 -2.513 1.00 0.00 H new ATOM 0 HB2 GLN B 511 9.688 -3.230 -1.450 1.00 0.00 H new ATOM 0 HB3 GLN B 511 11.039 -2.990 -0.360 1.00 0.00 H new ATOM 0 HG2 GLN B 511 9.167 -1.101 -0.903 1.00 0.00 H new ATOM 0 HG3 GLN B 511 10.784 -0.744 -0.329 1.00 0.00 H new ATOM 0 HE21 GLN B 511 12.326 0.061 -1.912 1.00 0.00 H new ATOM 0 HE22 GLN B 511 11.737 0.720 -3.442 1.00 0.00 H new HETATM 2136 N PTR B 512 11.727 -5.371 -2.516 1.00 0.00 N HETATM 2137 CA PTR B 512 12.299 -6.692 -2.273 1.00 0.00 C HETATM 2138 C PTR B 512 13.452 -7.001 -3.211 1.00 0.00 C HETATM 2139 O PTR B 512 14.428 -7.642 -2.823 1.00 0.00 O HETATM 2140 CB PTR B 512 11.227 -7.764 -2.457 1.00 0.00 C HETATM 2141 CG PTR B 512 10.274 -7.898 -1.297 1.00 0.00 C HETATM 2142 CD1 PTR B 512 10.014 -6.832 -0.446 1.00 0.00 C HETATM 2143 CD2 PTR B 512 9.637 -9.103 -1.050 1.00 0.00 C HETATM 2144 CE1 PTR B 512 9.157 -6.960 0.609 1.00 0.00 C HETATM 2145 CE2 PTR B 512 8.770 -9.239 0.010 1.00 0.00 C HETATM 2146 CZ PTR B 512 8.535 -8.166 0.837 1.00 0.00 C HETATM 2147 OH PTR B 512 7.680 -8.296 1.894 1.00 0.00 O HETATM 2148 P PTR B 512 8.214 -9.028 3.242 1.00 0.00 P HETATM 2149 O1P PTR B 512 9.571 -8.428 3.523 1.00 0.00 O HETATM 2150 O2P PTR B 512 8.116 -10.575 2.879 1.00 0.00 O HETATM 2151 O3P PTR B 512 7.238 -8.501 4.264 1.00 0.00 O HETATM 0 HE2 PTR B 512 8.273 -10.192 0.193 1.00 0.00 H new HETATM 0 HE1 PTR B 512 8.967 -6.112 1.267 1.00 0.00 H new HETATM 0 HD2 PTR B 512 9.825 -9.955 -1.704 1.00 0.00 H new HETATM 0 HD1 PTR B 512 10.504 -5.875 -0.624 1.00 0.00 H new HETATM 0 HB3 PTR B 512 10.655 -7.538 -3.357 1.00 0.00 H new HETATM 0 HB2 PTR B 512 11.715 -8.724 -2.623 1.00 0.00 H new HETATM 0 HA PTR B 512 12.677 -6.691 -1.251 1.00 0.00 H new ATOM 2161 N PHE B 513 13.329 -6.558 -4.447 1.00 0.00 N ATOM 2162 CA PHE B 513 14.249 -6.970 -5.493 1.00 0.00 C ATOM 2163 C PHE B 513 15.314 -5.915 -5.757 1.00 0.00 C ATOM 2164 O PHE B 513 16.394 -6.218 -6.263 1.00 0.00 O ATOM 2165 CB PHE B 513 13.469 -7.258 -6.764 1.00 0.00 C ATOM 2166 CG PHE B 513 12.362 -8.240 -6.563 1.00 0.00 C ATOM 2167 CD1 PHE B 513 12.645 -9.583 -6.578 1.00 0.00 C ATOM 2168 CD2 PHE B 513 11.052 -7.830 -6.371 1.00 0.00 C ATOM 2169 CE1 PHE B 513 11.655 -10.514 -6.405 1.00 0.00 C ATOM 2170 CE2 PHE B 513 10.045 -8.760 -6.194 1.00 0.00 C ATOM 2171 CZ PHE B 513 10.349 -10.107 -6.211 1.00 0.00 C ATOM 0 H PHE B 513 12.601 -5.912 -4.753 1.00 0.00 H new ATOM 0 HA PHE B 513 14.762 -7.872 -5.160 1.00 0.00 H new ATOM 0 HB2 PHE B 513 13.054 -6.326 -7.148 1.00 0.00 H new ATOM 0 HB3 PHE B 513 14.152 -7.640 -7.523 1.00 0.00 H new ATOM 0 HD1 PHE B 513 13.663 -9.911 -6.728 1.00 0.00 H new ATOM 0 HD2 PHE B 513 10.816 -6.776 -6.360 1.00 0.00 H new ATOM 0 HE1 PHE B 513 11.896 -11.567 -6.420 1.00 0.00 H new ATOM 0 HE2 PHE B 513 9.026 -8.435 -6.043 1.00 0.00 H new ATOM 0 HZ PHE B 513 9.568 -10.840 -6.073 1.00 0.00 H new ATOM 2181 N GLY B 514 15.013 -4.679 -5.397 1.00 0.00 N ATOM 2182 CA GLY B 514 15.892 -3.573 -5.714 1.00 0.00 C ATOM 2183 C GLY B 514 15.223 -2.627 -6.683 1.00 0.00 C ATOM 2184 O GLY B 514 15.186 -1.415 -6.466 1.00 0.00 O ATOM 0 H GLY B 514 14.169 -4.419 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY B 514 16.159 -3.040 -4.802 1.00 0.00 H new ATOM 0 HA3 GLY B 514 16.819 -3.950 -6.146 1.00 0.00 H new ATOM 2188 N ILE B 515 14.697 -3.192 -7.760 1.00 0.00 N ATOM 2189 CA ILE B 515 13.862 -2.457 -8.689 1.00 0.00 C ATOM 2190 C ILE B 515 13.009 -3.424 -9.512 1.00 0.00 C ATOM 2191 O ILE B 515 11.781 -3.456 -9.304 1.00 0.00 O ATOM 2192 CB ILE B 515 14.683 -1.520 -9.611 1.00 0.00 C ATOM 2193 CG1 ILE B 515 13.755 -0.835 -10.620 1.00 0.00 C ATOM 2194 CG2 ILE B 515 15.807 -2.273 -10.318 1.00 0.00 C ATOM 2195 CD1 ILE B 515 14.448 0.188 -11.489 1.00 0.00 C ATOM 2196 OXT ILE B 515 13.563 -4.184 -10.332 1.00 0.00 O ATOM 0 H ILE B 515 14.839 -4.170 -8.011 1.00 0.00 H new ATOM 0 HA ILE B 515 13.205 -1.817 -8.100 1.00 0.00 H new ATOM 0 HB ILE B 515 15.152 -0.755 -8.992 1.00 0.00 H new ATOM 0 HG12 ILE B 515 13.304 -1.595 -11.259 1.00 0.00 H new ATOM 0 HG13 ILE B 515 12.942 -0.349 -10.080 1.00 0.00 H new ATOM 0 HG21 ILE B 515 16.361 -1.584 -10.956 1.00 0.00 H new ATOM 0 HG22 ILE B 515 16.480 -2.702 -9.576 1.00 0.00 H new ATOM 0 HG23 ILE B 515 15.383 -3.071 -10.928 1.00 0.00 H new ATOM 0 HD11 ILE B 515 13.727 0.629 -12.177 1.00 0.00 H new ATOM 0 HD12 ILE B 515 14.875 0.969 -10.861 1.00 0.00 H new ATOM 0 HD13 ILE B 515 15.242 -0.296 -12.057 1.00 0.00 H new TER 2208 ILE B 515