USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 ASN : amide:sc= -0.226 K(o=-0.23,f=-9.4!) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 32 GLN : amide:sc= 0.55 K(o=0.67,f=0) USER MOD Set 2.2: A 48 TYR OH : rot 134:sc= 0.124 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.0121 (180deg=-0.0582) USER MOD Single : A 3 GLN : amide:sc= -1.03! C(o=-1!,f=-3.3!) USER MOD Single : A 4 LYS NZ :NH3+ -143:sc= -2.1! (180deg=-4.65!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.345 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.63 K(o=-0.63,f=-4.7!) USER MOD Single : A 13 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.37) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0305 K(o=-0.03,f=-0.65) USER MOD Single : A 24 LYS NZ :NH3+ -115:sc= -0.484 (180deg=-2.3!) USER MOD Single : A 33 SER OG : rot 79:sc= 0.742 USER MOD Single : A 34 SER OG : rot 52:sc= 0.541 USER MOD Single : A 44 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.45) USER MOD Single : A 47 ASN : amide:sc= -0.314 K(o=-0.31,f=-2.4!) USER MOD Single : A 50 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.0099) USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= -0.028 (180deg=-0.223) USER MOD Single : A 53 GLN : amide:sc= 1.05 K(o=1.1,f=-0.035) USER MOD Single : A 58 SER OG : rot 89:sc= 0.421 USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0.688 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.13 USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= -0.0195 (180deg=-0.149) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 31:sc= 0.157 USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= -0.113 (180deg=-0.113) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 101 HIS : no HE2:sc= -0.15 K(o=-0.15,f=-2.8!) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 104 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.16) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.953 -25.530 12.253 1.00 62.15 N ATOM 2 CA MET A 1 22.014 -24.140 11.725 1.00 51.23 C ATOM 3 C MET A 1 20.863 -23.266 12.265 1.00 33.33 C ATOM 4 O MET A 1 19.759 -23.261 11.722 1.00 11.11 O ATOM 5 CB MET A 1 22.019 -24.147 10.183 1.00 14.53 C ATOM 6 CG MET A 1 20.915 -24.991 9.555 1.00 61.42 C ATOM 7 SD MET A 1 20.884 -24.861 7.756 1.00 62.52 S ATOM 8 CE MET A 1 19.609 -26.054 7.351 1.00 12.13 C ATOM 0 H1 MET A 1 22.670 -26.114 11.777 1.00 62.15 H new ATOM 0 H2 MET A 1 22.138 -25.521 13.276 1.00 62.15 H new ATOM 0 H3 MET A 1 21.009 -25.928 12.075 1.00 62.15 H new ATOM 0 HA MET A 1 22.946 -23.697 12.076 1.00 51.23 H new ATOM 0 HB2 MET A 1 21.923 -23.121 9.826 1.00 14.53 H new ATOM 0 HB3 MET A 1 22.984 -24.516 9.836 1.00 14.53 H new ATOM 0 HG2 MET A 1 21.054 -26.034 9.838 1.00 61.42 H new ATOM 0 HG3 MET A 1 19.951 -24.678 9.955 1.00 61.42 H new ATOM 0 HE1 MET A 1 19.473 -26.089 6.270 1.00 12.13 H new ATOM 0 HE2 MET A 1 19.905 -27.039 7.711 1.00 12.13 H new ATOM 0 HE3 MET A 1 18.672 -25.761 7.825 1.00 12.13 H new ATOM 20 N ASP A 2 21.129 -22.536 13.349 1.00 33.52 N ATOM 21 CA ASP A 2 20.145 -21.610 13.928 1.00 63.21 C ATOM 22 C ASP A 2 20.776 -20.245 14.253 1.00 52.43 C ATOM 23 O ASP A 2 20.102 -19.211 14.194 1.00 53.31 O ATOM 24 CB ASP A 2 19.498 -22.222 15.179 1.00 41.25 C ATOM 25 CG ASP A 2 20.511 -22.776 16.165 1.00 65.15 C ATOM 26 OD1 ASP A 2 21.167 -21.986 16.873 1.00 64.22 O ATOM 27 OD2 ASP A 2 20.663 -24.013 16.231 1.00 74.23 O ATOM 0 H ASP A 2 22.019 -22.566 13.847 1.00 33.52 H new ATOM 0 HA ASP A 2 19.368 -21.443 13.182 1.00 63.21 H new ATOM 0 HB2 ASP A 2 18.894 -21.463 15.676 1.00 41.25 H new ATOM 0 HB3 ASP A 2 18.821 -23.021 14.876 1.00 41.25 H new ATOM 32 N GLN A 3 22.063 -20.244 14.609 1.00 33.34 N ATOM 33 CA GLN A 3 22.805 -18.994 14.814 1.00 70.42 C ATOM 34 C GLN A 3 22.848 -18.170 13.516 1.00 12.52 C ATOM 35 O GLN A 3 23.271 -18.662 12.466 1.00 41.10 O ATOM 36 CB GLN A 3 24.235 -19.263 15.332 1.00 71.04 C ATOM 37 CG GLN A 3 25.140 -20.052 14.384 1.00 3.24 C ATOM 38 CD GLN A 3 24.780 -21.527 14.279 1.00 12.03 C ATOM 39 OE1 GLN A 3 24.266 -22.126 15.219 1.00 32.34 O ATOM 40 NE2 GLN A 3 25.044 -22.124 13.133 1.00 2.21 N ATOM 0 H GLN A 3 22.612 -21.090 14.761 1.00 33.34 H new ATOM 0 HA GLN A 3 22.278 -18.419 15.575 1.00 70.42 H new ATOM 0 HB2 GLN A 3 24.710 -18.306 15.548 1.00 71.04 H new ATOM 0 HB3 GLN A 3 24.165 -19.805 16.275 1.00 71.04 H new ATOM 0 HG2 GLN A 3 25.090 -19.604 13.392 1.00 3.24 H new ATOM 0 HG3 GLN A 3 26.172 -19.962 14.723 1.00 3.24 H new ATOM 0 HE21 GLN A 3 25.472 -21.598 12.371 1.00 2.21 H new ATOM 0 HE22 GLN A 3 24.820 -23.111 13.009 1.00 2.21 H new ATOM 49 N LYS A 4 22.391 -16.921 13.587 1.00 73.41 N ATOM 50 CA LYS A 4 22.295 -16.065 12.400 1.00 63.12 C ATOM 51 C LYS A 4 23.678 -15.601 11.920 1.00 63.43 C ATOM 52 O LYS A 4 24.355 -14.821 12.598 1.00 2.42 O ATOM 53 CB LYS A 4 21.402 -14.848 12.689 1.00 63.53 C ATOM 54 CG LYS A 4 21.175 -13.947 11.477 1.00 31.31 C ATOM 55 CD LYS A 4 20.201 -12.800 11.768 1.00 21.01 C ATOM 56 CE LYS A 4 20.802 -11.719 12.672 1.00 20.54 C ATOM 57 NZ LYS A 4 21.076 -12.207 14.052 1.00 62.21 N ATOM 0 H LYS A 4 22.081 -16.477 14.452 1.00 73.41 H new ATOM 0 HA LYS A 4 21.847 -16.659 11.603 1.00 63.12 H new ATOM 0 HB2 LYS A 4 20.437 -15.197 13.056 1.00 63.53 H new ATOM 0 HB3 LYS A 4 21.853 -14.260 13.488 1.00 63.53 H new ATOM 0 HG2 LYS A 4 22.130 -13.534 11.152 1.00 31.31 H new ATOM 0 HG3 LYS A 4 20.789 -14.545 10.652 1.00 31.31 H new ATOM 0 HD2 LYS A 4 19.890 -12.347 10.827 1.00 21.01 H new ATOM 0 HD3 LYS A 4 19.304 -13.203 12.239 1.00 21.01 H new ATOM 0 HE2 LYS A 4 21.729 -11.356 12.229 1.00 20.54 H new ATOM 0 HE3 LYS A 4 20.119 -10.871 12.720 1.00 20.54 H new ATOM 0 HZ1 LYS A 4 20.870 -11.450 14.735 1.00 62.21 H new ATOM 0 HZ2 LYS A 4 20.474 -13.030 14.255 1.00 62.21 H new ATOM 0 HZ3 LYS A 4 22.076 -12.482 14.131 1.00 62.21 H new ATOM 71 N SER A 5 24.097 -16.096 10.757 1.00 15.42 N ATOM 72 CA SER A 5 25.374 -15.693 10.148 1.00 4.40 C ATOM 73 C SER A 5 25.322 -14.234 9.669 1.00 60.42 C ATOM 74 O SER A 5 25.134 -13.958 8.483 1.00 15.21 O ATOM 75 CB SER A 5 25.735 -16.621 8.976 1.00 53.21 C ATOM 76 OG SER A 5 25.824 -17.975 9.397 1.00 13.10 O ATOM 0 H SER A 5 23.572 -16.780 10.212 1.00 15.42 H new ATOM 0 HA SER A 5 26.147 -15.777 10.912 1.00 4.40 H new ATOM 0 HB2 SER A 5 24.982 -16.530 8.193 1.00 53.21 H new ATOM 0 HB3 SER A 5 26.685 -16.310 8.542 1.00 53.21 H new ATOM 0 HG SER A 5 26.053 -18.541 8.631 1.00 13.10 H new ATOM 82 N SER A 6 25.465 -13.305 10.609 1.00 21.31 N ATOM 83 CA SER A 6 25.391 -11.869 10.309 1.00 33.02 C ATOM 84 C SER A 6 26.645 -11.386 9.569 1.00 1.23 C ATOM 85 O SER A 6 27.693 -11.182 10.179 1.00 54.43 O ATOM 86 CB SER A 6 25.213 -11.060 11.605 1.00 1.14 C ATOM 87 OG SER A 6 24.097 -11.517 12.357 1.00 74.13 O ATOM 0 H SER A 6 25.634 -13.517 11.592 1.00 21.31 H new ATOM 0 HA SER A 6 24.528 -11.712 9.662 1.00 33.02 H new ATOM 0 HB2 SER A 6 26.116 -11.137 12.210 1.00 1.14 H new ATOM 0 HB3 SER A 6 25.081 -10.006 11.362 1.00 1.14 H new ATOM 0 HG SER A 6 24.013 -10.983 13.175 1.00 74.13 H new ATOM 93 N SER A 7 26.537 -11.215 8.253 1.00 62.41 N ATOM 94 CA SER A 7 27.668 -10.740 7.439 1.00 33.05 C ATOM 95 C SER A 7 27.994 -9.265 7.740 1.00 1.20 C ATOM 96 O SER A 7 27.172 -8.379 7.487 1.00 75.21 O ATOM 97 CB SER A 7 27.370 -10.905 5.942 1.00 53.44 C ATOM 98 OG SER A 7 28.490 -10.529 5.150 1.00 73.23 O ATOM 0 H SER A 7 25.684 -11.396 7.724 1.00 62.41 H new ATOM 0 HA SER A 7 28.534 -11.348 7.701 1.00 33.05 H new ATOM 0 HB2 SER A 7 27.105 -11.942 5.733 1.00 53.44 H new ATOM 0 HB3 SER A 7 26.508 -10.295 5.671 1.00 53.44 H new ATOM 0 HG SER A 7 28.274 -10.645 4.201 1.00 73.23 H new ATOM 104 N PRO A 8 29.200 -8.981 8.279 1.00 21.14 N ATOM 105 CA PRO A 8 29.604 -7.610 8.651 1.00 75.34 C ATOM 106 C PRO A 8 29.896 -6.703 7.440 1.00 13.33 C ATOM 107 O PRO A 8 30.271 -7.176 6.361 1.00 63.23 O ATOM 108 CB PRO A 8 30.873 -7.835 9.484 1.00 24.44 C ATOM 109 CG PRO A 8 31.443 -9.112 8.966 1.00 33.32 C ATOM 110 CD PRO A 8 30.264 -9.965 8.573 1.00 12.21 C ATOM 0 HA PRO A 8 28.807 -7.089 9.182 1.00 75.34 H new ATOM 0 HB2 PRO A 8 31.576 -7.010 9.366 1.00 24.44 H new ATOM 0 HB3 PRO A 8 30.642 -7.907 10.547 1.00 24.44 H new ATOM 0 HG2 PRO A 8 32.095 -8.930 8.111 1.00 33.32 H new ATOM 0 HG3 PRO A 8 32.046 -9.607 9.727 1.00 33.32 H new ATOM 0 HD2 PRO A 8 30.489 -10.583 7.704 1.00 12.21 H new ATOM 0 HD3 PRO A 8 29.973 -10.641 9.377 1.00 12.21 H new ATOM 118 N GLN A 9 29.728 -5.393 7.634 1.00 22.11 N ATOM 119 CA GLN A 9 29.956 -4.399 6.574 1.00 52.10 C ATOM 120 C GLN A 9 30.920 -3.291 7.034 1.00 75.45 C ATOM 121 O GLN A 9 30.495 -2.284 7.606 1.00 63.31 O ATOM 122 CB GLN A 9 28.624 -3.764 6.140 1.00 73.34 C ATOM 123 CG GLN A 9 27.678 -4.711 5.402 1.00 14.33 C ATOM 124 CD GLN A 9 28.141 -5.046 3.989 1.00 41.11 C ATOM 125 OE1 GLN A 9 29.336 -5.103 3.699 1.00 11.43 O ATOM 126 NE2 GLN A 9 27.200 -5.257 3.093 1.00 61.21 N ATOM 0 H GLN A 9 29.432 -4.990 8.523 1.00 22.11 H new ATOM 0 HA GLN A 9 30.407 -4.922 5.731 1.00 52.10 H new ATOM 0 HB2 GLN A 9 28.115 -3.379 7.024 1.00 73.34 H new ATOM 0 HB3 GLN A 9 28.836 -2.910 5.497 1.00 73.34 H new ATOM 0 HG2 GLN A 9 27.581 -5.634 5.973 1.00 14.33 H new ATOM 0 HG3 GLN A 9 26.687 -4.259 5.355 1.00 14.33 H new ATOM 0 HE21 GLN A 9 26.218 -5.203 3.363 1.00 61.21 H new ATOM 0 HE22 GLN A 9 27.453 -5.474 2.129 1.00 61.21 H new ATOM 135 N PRO A 10 32.237 -3.462 6.807 1.00 55.42 N ATOM 136 CA PRO A 10 33.237 -2.436 7.154 1.00 44.35 C ATOM 137 C PRO A 10 33.115 -1.180 6.271 1.00 43.23 C ATOM 138 O PRO A 10 32.907 -1.284 5.059 1.00 4.24 O ATOM 139 CB PRO A 10 34.589 -3.142 6.912 1.00 13.33 C ATOM 140 CG PRO A 10 34.261 -4.596 6.774 1.00 50.21 C ATOM 141 CD PRO A 10 32.866 -4.654 6.216 1.00 60.31 C ATOM 0 HA PRO A 10 33.112 -2.079 8.176 1.00 44.35 H new ATOM 0 HB2 PRO A 10 35.075 -2.762 6.013 1.00 13.33 H new ATOM 0 HB3 PRO A 10 35.275 -2.971 7.742 1.00 13.33 H new ATOM 0 HG2 PRO A 10 34.968 -5.094 6.111 1.00 50.21 H new ATOM 0 HG3 PRO A 10 34.317 -5.102 7.738 1.00 50.21 H new ATOM 0 HD2 PRO A 10 32.863 -4.617 5.127 1.00 60.31 H new ATOM 0 HD3 PRO A 10 32.351 -5.570 6.505 1.00 60.31 H new ATOM 149 N ALA A 11 33.231 -0.001 6.888 1.00 4.23 N ATOM 150 CA ALA A 11 33.175 1.282 6.165 1.00 73.54 C ATOM 151 C ALA A 11 31.816 1.508 5.473 1.00 13.11 C ATOM 152 O ALA A 11 31.742 2.157 4.427 1.00 3.53 O ATOM 153 CB ALA A 11 34.318 1.367 5.154 1.00 35.33 C ATOM 0 H ALA A 11 33.365 0.096 7.894 1.00 4.23 H new ATOM 0 HA ALA A 11 33.289 2.077 6.902 1.00 73.54 H new ATOM 0 HB1 ALA A 11 34.266 2.319 4.626 1.00 35.33 H new ATOM 0 HB2 ALA A 11 35.272 1.293 5.676 1.00 35.33 H new ATOM 0 HB3 ALA A 11 34.232 0.550 4.438 1.00 35.33 H new ATOM 159 N ALA A 12 30.742 0.982 6.068 1.00 4.32 N ATOM 160 CA ALA A 12 29.386 1.193 5.543 1.00 55.34 C ATOM 161 C ALA A 12 28.984 2.679 5.616 1.00 2.35 C ATOM 162 O ALA A 12 28.538 3.167 6.657 1.00 21.51 O ATOM 163 CB ALA A 12 28.380 0.325 6.293 1.00 24.31 C ATOM 0 H ALA A 12 30.782 0.409 6.911 1.00 4.32 H new ATOM 0 HA ALA A 12 29.383 0.898 4.494 1.00 55.34 H new ATOM 0 HB1 ALA A 12 27.381 0.495 5.890 1.00 24.31 H new ATOM 0 HB2 ALA A 12 28.646 -0.725 6.174 1.00 24.31 H new ATOM 0 HB3 ALA A 12 28.393 0.585 7.352 1.00 24.31 H new ATOM 169 N GLN A 13 29.149 3.386 4.499 1.00 23.11 N ATOM 170 CA GLN A 13 28.941 4.839 4.447 1.00 43.15 C ATOM 171 C GLN A 13 27.453 5.219 4.511 1.00 51.23 C ATOM 172 O GLN A 13 26.603 4.581 3.884 1.00 65.33 O ATOM 173 CB GLN A 13 29.563 5.410 3.162 1.00 20.54 C ATOM 174 CG GLN A 13 31.036 5.057 2.979 1.00 73.42 C ATOM 175 CD GLN A 13 31.926 5.595 4.091 1.00 61.13 C ATOM 176 OE1 GLN A 13 31.660 6.642 4.674 1.00 30.23 O ATOM 177 NE2 GLN A 13 32.986 4.878 4.401 1.00 52.15 N ATOM 0 H GLN A 13 29.429 2.975 3.608 1.00 23.11 H new ATOM 0 HA GLN A 13 29.428 5.267 5.323 1.00 43.15 H new ATOM 0 HB2 GLN A 13 29.002 5.041 2.303 1.00 20.54 H new ATOM 0 HB3 GLN A 13 29.458 6.495 3.170 1.00 20.54 H new ATOM 0 HG2 GLN A 13 31.140 3.973 2.932 1.00 73.42 H new ATOM 0 HG3 GLN A 13 31.381 5.452 2.023 1.00 73.42 H new ATOM 0 HE21 GLN A 13 33.181 4.012 3.898 1.00 52.15 H new ATOM 0 HE22 GLN A 13 33.612 5.189 5.144 1.00 52.15 H new ATOM 186 N ALA A 14 27.152 6.267 5.273 1.00 71.22 N ATOM 187 CA ALA A 14 25.786 6.783 5.392 1.00 60.30 C ATOM 188 C ALA A 14 25.614 8.086 4.590 1.00 64.12 C ATOM 189 O ALA A 14 26.458 8.982 4.667 1.00 74.25 O ATOM 190 CB ALA A 14 25.446 7.019 6.859 1.00 63.13 C ATOM 0 H ALA A 14 27.840 6.781 5.823 1.00 71.22 H new ATOM 0 HA ALA A 14 25.102 6.041 4.980 1.00 60.30 H new ATOM 0 HB1 ALA A 14 24.429 7.403 6.940 1.00 63.13 H new ATOM 0 HB2 ALA A 14 25.524 6.080 7.406 1.00 63.13 H new ATOM 0 HB3 ALA A 14 26.142 7.744 7.282 1.00 63.13 H new ATOM 196 N PRO A 15 24.532 8.205 3.794 1.00 52.02 N ATOM 197 CA PRO A 15 24.235 9.434 3.027 1.00 52.20 C ATOM 198 C PRO A 15 23.961 10.653 3.932 1.00 43.31 C ATOM 199 O PRO A 15 23.775 10.514 5.144 1.00 75.20 O ATOM 200 CB PRO A 15 22.975 9.063 2.218 1.00 33.25 C ATOM 201 CG PRO A 15 22.921 7.570 2.241 1.00 12.54 C ATOM 202 CD PRO A 15 23.522 7.160 3.557 1.00 61.54 C ATOM 0 HA PRO A 15 25.081 9.734 2.408 1.00 52.20 H new ATOM 0 HB2 PRO A 15 22.079 9.496 2.663 1.00 33.25 H new ATOM 0 HB3 PRO A 15 23.038 9.439 1.197 1.00 33.25 H new ATOM 0 HG2 PRO A 15 21.895 7.214 2.152 1.00 12.54 H new ATOM 0 HG3 PRO A 15 23.479 7.145 1.407 1.00 12.54 H new ATOM 0 HD2 PRO A 15 22.776 7.131 4.351 1.00 61.54 H new ATOM 0 HD3 PRO A 15 23.971 6.168 3.505 1.00 61.54 H new ATOM 210 N GLU A 16 23.938 11.846 3.340 1.00 52.30 N ATOM 211 CA GLU A 16 23.676 13.079 4.094 1.00 52.43 C ATOM 212 C GLU A 16 22.208 13.151 4.554 1.00 22.13 C ATOM 213 O GLU A 16 21.914 13.490 5.705 1.00 10.23 O ATOM 214 CB GLU A 16 24.022 14.305 3.233 1.00 24.45 C ATOM 215 CG GLU A 16 23.935 15.636 3.976 1.00 54.21 C ATOM 216 CD GLU A 16 24.957 15.749 5.098 1.00 15.35 C ATOM 217 OE1 GLU A 16 26.126 16.094 4.816 1.00 54.13 O ATOM 218 OE2 GLU A 16 24.604 15.489 6.268 1.00 33.24 O ATOM 0 H GLU A 16 24.097 11.989 2.343 1.00 52.30 H new ATOM 0 HA GLU A 16 24.307 13.074 4.983 1.00 52.43 H new ATOM 0 HB2 GLU A 16 25.032 14.186 2.841 1.00 24.45 H new ATOM 0 HB3 GLU A 16 23.349 14.335 2.376 1.00 24.45 H new ATOM 0 HG2 GLU A 16 24.085 16.452 3.270 1.00 54.21 H new ATOM 0 HG3 GLU A 16 22.933 15.752 4.389 1.00 54.21 H new ATOM 225 N THR A 17 21.291 12.821 3.645 1.00 25.01 N ATOM 226 CA THR A 17 19.851 12.826 3.945 1.00 34.23 C ATOM 227 C THR A 17 19.352 11.419 4.312 1.00 34.44 C ATOM 228 O THR A 17 19.365 10.508 3.480 1.00 1.13 O ATOM 229 CB THR A 17 19.023 13.352 2.740 1.00 2.01 C ATOM 230 OG1 THR A 17 19.431 14.688 2.400 1.00 24.40 O ATOM 231 CG2 THR A 17 17.526 13.338 3.040 1.00 40.52 C ATOM 0 H THR A 17 21.517 12.545 2.689 1.00 25.01 H new ATOM 0 HA THR A 17 19.711 13.493 4.796 1.00 34.23 H new ATOM 0 HB THR A 17 19.211 12.686 1.898 1.00 2.01 H new ATOM 0 HG1 THR A 17 18.903 15.007 1.638 1.00 24.40 H new ATOM 0 HG21 THR A 17 16.978 13.712 2.175 1.00 40.52 H new ATOM 0 HG22 THR A 17 17.208 12.318 3.257 1.00 40.52 H new ATOM 0 HG23 THR A 17 17.322 13.973 3.902 1.00 40.52 H new ATOM 239 N LYS A 18 18.920 11.243 5.562 1.00 14.13 N ATOM 240 CA LYS A 18 18.363 9.965 6.023 1.00 54.41 C ATOM 241 C LYS A 18 16.919 10.131 6.524 1.00 30.02 C ATOM 242 O LYS A 18 16.671 10.772 7.547 1.00 4.21 O ATOM 243 CB LYS A 18 19.240 9.371 7.137 1.00 24.13 C ATOM 244 CG LYS A 18 18.700 8.060 7.710 1.00 73.53 C ATOM 245 CD LYS A 18 19.604 7.498 8.807 1.00 20.24 C ATOM 246 CE LYS A 18 20.958 7.055 8.261 1.00 63.42 C ATOM 247 NZ LYS A 18 21.864 6.578 9.336 1.00 61.44 N ATOM 0 H LYS A 18 18.944 11.970 6.277 1.00 14.13 H new ATOM 0 HA LYS A 18 18.351 9.282 5.173 1.00 54.41 H new ATOM 0 HB2 LYS A 18 20.243 9.201 6.746 1.00 24.13 H new ATOM 0 HB3 LYS A 18 19.331 10.099 7.943 1.00 24.13 H new ATOM 0 HG2 LYS A 18 17.701 8.225 8.113 1.00 73.53 H new ATOM 0 HG3 LYS A 18 18.604 7.327 6.909 1.00 73.53 H new ATOM 0 HD2 LYS A 18 19.754 8.255 9.577 1.00 20.24 H new ATOM 0 HD3 LYS A 18 19.111 6.651 9.285 1.00 20.24 H new ATOM 0 HE2 LYS A 18 20.811 6.259 7.531 1.00 63.42 H new ATOM 0 HE3 LYS A 18 21.426 7.887 7.735 1.00 63.42 H new ATOM 0 HZ1 LYS A 18 22.772 6.287 8.921 1.00 61.44 H new ATOM 0 HZ2 LYS A 18 22.026 7.345 10.020 1.00 61.44 H new ATOM 0 HZ3 LYS A 18 21.430 5.767 9.822 1.00 61.44 H new ATOM 261 N GLN A 19 15.971 9.550 5.793 1.00 43.13 N ATOM 262 CA GLN A 19 14.549 9.598 6.165 1.00 34.24 C ATOM 263 C GLN A 19 14.087 8.265 6.776 1.00 54.04 C ATOM 264 O GLN A 19 14.645 7.208 6.479 1.00 11.00 O ATOM 265 CB GLN A 19 13.693 9.928 4.934 1.00 23.30 C ATOM 266 CG GLN A 19 13.928 11.321 4.362 1.00 73.12 C ATOM 267 CD GLN A 19 13.482 12.433 5.300 1.00 71.52 C ATOM 268 OE1 GLN A 19 12.551 12.273 6.086 1.00 23.43 O ATOM 269 NE2 GLN A 19 14.130 13.574 5.218 1.00 20.21 N ATOM 0 H GLN A 19 16.158 9.036 4.932 1.00 43.13 H new ATOM 0 HA GLN A 19 14.425 10.379 6.915 1.00 34.24 H new ATOM 0 HB2 GLN A 19 13.895 9.190 4.157 1.00 23.30 H new ATOM 0 HB3 GLN A 19 12.641 9.830 5.201 1.00 23.30 H new ATOM 0 HG2 GLN A 19 14.989 11.443 4.142 1.00 73.12 H new ATOM 0 HG3 GLN A 19 13.393 11.414 3.417 1.00 73.12 H new ATOM 0 HE21 GLN A 19 14.899 13.677 4.556 1.00 20.21 H new ATOM 0 HE22 GLN A 19 13.864 14.356 5.817 1.00 20.21 H new ATOM 278 N ALA A 20 13.063 8.323 7.624 1.00 50.43 N ATOM 279 CA ALA A 20 12.504 7.126 8.263 1.00 73.50 C ATOM 280 C ALA A 20 11.009 6.971 7.940 1.00 13.32 C ATOM 281 O ALA A 20 10.249 7.937 7.995 1.00 5.52 O ATOM 282 CB ALA A 20 12.722 7.186 9.774 1.00 55.11 C ATOM 0 H ALA A 20 12.598 9.191 7.888 1.00 50.43 H new ATOM 0 HA ALA A 20 13.023 6.254 7.866 1.00 73.50 H new ATOM 0 HB1 ALA A 20 12.303 6.293 10.238 1.00 55.11 H new ATOM 0 HB2 ALA A 20 13.790 7.238 9.986 1.00 55.11 H new ATOM 0 HB3 ALA A 20 12.228 8.070 10.178 1.00 55.11 H new ATOM 288 N PHE A 21 10.594 5.748 7.606 1.00 40.01 N ATOM 289 CA PHE A 21 9.195 5.468 7.248 1.00 4.04 C ATOM 290 C PHE A 21 8.238 5.706 8.436 1.00 25.12 C ATOM 291 O PHE A 21 8.277 4.966 9.424 1.00 34.11 O ATOM 292 CB PHE A 21 9.054 4.013 6.771 1.00 54.24 C ATOM 293 CG PHE A 21 9.890 3.680 5.558 1.00 51.24 C ATOM 294 CD1 PHE A 21 9.564 4.195 4.311 1.00 2.45 C ATOM 295 CD2 PHE A 21 10.999 2.850 5.665 1.00 23.54 C ATOM 296 CE1 PHE A 21 10.325 3.890 3.198 1.00 51.01 C ATOM 297 CE2 PHE A 21 11.764 2.543 4.554 1.00 61.14 C ATOM 298 CZ PHE A 21 11.426 3.063 3.319 1.00 12.40 C ATOM 0 H PHE A 21 11.205 4.932 7.575 1.00 40.01 H new ATOM 0 HA PHE A 21 8.922 6.154 6.447 1.00 4.04 H new ATOM 0 HB2 PHE A 21 9.333 3.346 7.586 1.00 54.24 H new ATOM 0 HB3 PHE A 21 8.007 3.816 6.543 1.00 54.24 H new ATOM 0 HD1 PHE A 21 8.705 4.842 4.209 1.00 2.45 H new ATOM 0 HD2 PHE A 21 11.267 2.439 6.627 1.00 23.54 H new ATOM 0 HE1 PHE A 21 10.059 4.298 2.234 1.00 51.01 H new ATOM 0 HE2 PHE A 21 12.624 1.898 4.652 1.00 61.14 H new ATOM 0 HZ PHE A 21 12.021 2.824 2.450 1.00 12.40 H new ATOM 308 N PRO A 22 7.362 6.733 8.362 1.00 41.30 N ATOM 309 CA PRO A 22 6.380 6.993 9.423 1.00 13.24 C ATOM 310 C PRO A 22 5.179 6.034 9.358 1.00 61.32 C ATOM 311 O PRO A 22 4.229 6.246 8.600 1.00 71.51 O ATOM 312 CB PRO A 22 5.947 8.438 9.145 1.00 33.32 C ATOM 313 CG PRO A 22 6.120 8.610 7.672 1.00 31.33 C ATOM 314 CD PRO A 22 7.270 7.717 7.264 1.00 12.25 C ATOM 0 HA PRO A 22 6.796 6.844 10.420 1.00 13.24 H new ATOM 0 HB2 PRO A 22 4.912 8.606 9.444 1.00 33.32 H new ATOM 0 HB3 PRO A 22 6.559 9.148 9.701 1.00 33.32 H new ATOM 0 HG2 PRO A 22 5.209 8.335 7.140 1.00 31.33 H new ATOM 0 HG3 PRO A 22 6.331 9.651 7.426 1.00 31.33 H new ATOM 0 HD2 PRO A 22 7.079 7.231 6.307 1.00 12.25 H new ATOM 0 HD3 PRO A 22 8.196 8.282 7.155 1.00 12.25 H new ATOM 322 N ARG A 23 5.214 4.992 10.181 1.00 63.01 N ATOM 323 CA ARG A 23 4.179 3.954 10.158 1.00 72.53 C ATOM 324 C ARG A 23 2.919 4.373 10.930 1.00 34.55 C ATOM 325 O ARG A 23 1.831 3.853 10.676 1.00 21.42 O ATOM 326 CB ARG A 23 4.732 2.631 10.706 1.00 11.22 C ATOM 327 CG ARG A 23 5.380 2.743 12.082 1.00 24.20 C ATOM 328 CD ARG A 23 5.902 1.396 12.576 1.00 34.22 C ATOM 329 NE ARG A 23 6.667 1.527 13.812 1.00 33.22 N ATOM 330 CZ ARG A 23 7.229 0.528 14.439 1.00 61.21 C ATOM 331 NH1 ARG A 23 7.089 -0.688 14.012 1.00 1.13 N ATOM 332 NH2 ARG A 23 7.921 0.740 15.509 1.00 21.43 N ATOM 0 H ARG A 23 5.947 4.840 10.874 1.00 63.01 H new ATOM 0 HA ARG A 23 3.887 3.813 9.117 1.00 72.53 H new ATOM 0 HB2 ARG A 23 3.920 1.905 10.758 1.00 11.22 H new ATOM 0 HB3 ARG A 23 5.466 2.239 10.002 1.00 11.22 H new ATOM 0 HG2 ARG A 23 6.202 3.457 12.039 1.00 24.20 H new ATOM 0 HG3 ARG A 23 4.654 3.135 12.795 1.00 24.20 H new ATOM 0 HD2 ARG A 23 5.063 0.719 12.739 1.00 34.22 H new ATOM 0 HD3 ARG A 23 6.530 0.946 11.807 1.00 34.22 H new ATOM 0 HE ARG A 23 6.770 2.459 14.213 1.00 33.22 H new ATOM 0 HH11 ARG A 23 6.534 -0.874 13.177 1.00 1.13 H new ATOM 0 HH12 ARG A 23 7.533 -1.458 14.512 1.00 1.13 H new ATOM 0 HH21 ARG A 23 8.030 1.689 15.866 1.00 21.43 H new ATOM 0 HH22 ARG A 23 8.359 -0.042 15.997 1.00 21.43 H new ATOM 346 N LYS A 24 3.067 5.321 11.860 1.00 2.12 N ATOM 347 CA LYS A 24 1.932 5.818 12.657 1.00 2.31 C ATOM 348 C LYS A 24 0.773 6.298 11.761 1.00 72.02 C ATOM 349 O LYS A 24 -0.397 6.192 12.131 1.00 52.24 O ATOM 350 CB LYS A 24 2.388 6.949 13.593 1.00 43.34 C ATOM 351 CG LYS A 24 3.451 6.513 14.602 1.00 24.44 C ATOM 352 CD LYS A 24 3.826 7.619 15.596 1.00 63.34 C ATOM 353 CE LYS A 24 4.502 8.820 14.927 1.00 30.42 C ATOM 354 NZ LYS A 24 3.525 9.769 14.330 1.00 42.23 N ATOM 0 H LYS A 24 3.959 5.762 12.082 1.00 2.12 H new ATOM 0 HA LYS A 24 1.563 4.987 13.258 1.00 2.31 H new ATOM 0 HB2 LYS A 24 2.782 7.770 12.994 1.00 43.34 H new ATOM 0 HB3 LYS A 24 1.523 7.335 14.132 1.00 43.34 H new ATOM 0 HG2 LYS A 24 3.087 5.646 15.153 1.00 24.44 H new ATOM 0 HG3 LYS A 24 4.345 6.197 14.065 1.00 24.44 H new ATOM 0 HD2 LYS A 24 2.927 7.956 16.112 1.00 63.34 H new ATOM 0 HD3 LYS A 24 4.494 7.208 16.353 1.00 63.34 H new ATOM 0 HE2 LYS A 24 5.110 9.346 15.663 1.00 30.42 H new ATOM 0 HE3 LYS A 24 5.179 8.465 14.150 1.00 30.42 H new ATOM 0 HZ1 LYS A 24 3.644 9.785 13.297 1.00 42.23 H new ATOM 0 HZ2 LYS A 24 2.558 9.464 14.563 1.00 42.23 H new ATOM 0 HZ3 LYS A 24 3.689 10.722 14.712 1.00 42.23 H new ATOM 368 N PHE A 25 1.107 6.821 10.583 1.00 21.14 N ATOM 369 CA PHE A 25 0.097 7.226 9.598 1.00 54.22 C ATOM 370 C PHE A 25 -0.176 6.107 8.578 1.00 13.41 C ATOM 371 O PHE A 25 -1.328 5.758 8.314 1.00 22.53 O ATOM 372 CB PHE A 25 0.556 8.484 8.849 1.00 53.54 C ATOM 373 CG PHE A 25 0.691 9.710 9.718 1.00 21.22 C ATOM 374 CD1 PHE A 25 -0.419 10.492 10.011 1.00 14.24 C ATOM 375 CD2 PHE A 25 1.925 10.090 10.229 1.00 72.32 C ATOM 376 CE1 PHE A 25 -0.300 11.623 10.796 1.00 23.03 C ATOM 377 CE2 PHE A 25 2.046 11.221 11.015 1.00 21.13 C ATOM 378 CZ PHE A 25 0.933 11.987 11.298 1.00 61.13 C ATOM 0 H PHE A 25 2.070 6.976 10.284 1.00 21.14 H new ATOM 0 HA PHE A 25 -0.823 7.434 10.144 1.00 54.22 H new ATOM 0 HB2 PHE A 25 1.517 8.281 8.376 1.00 53.54 H new ATOM 0 HB3 PHE A 25 -0.154 8.696 8.050 1.00 53.54 H new ATOM 0 HD1 PHE A 25 -1.387 10.213 9.621 1.00 14.24 H new ATOM 0 HD2 PHE A 25 2.800 9.496 10.010 1.00 72.32 H new ATOM 0 HE1 PHE A 25 -1.171 12.222 11.017 1.00 23.03 H new ATOM 0 HE2 PHE A 25 3.011 11.505 11.408 1.00 21.13 H new ATOM 0 HZ PHE A 25 1.027 12.871 11.912 1.00 61.13 H new ATOM 388 N VAL A 26 0.894 5.542 8.016 1.00 54.51 N ATOM 389 CA VAL A 26 0.778 4.556 6.931 1.00 40.31 C ATOM 390 C VAL A 26 -0.040 3.316 7.338 1.00 70.50 C ATOM 391 O VAL A 26 -0.983 2.938 6.642 1.00 70.15 O ATOM 392 CB VAL A 26 2.170 4.107 6.417 1.00 63.11 C ATOM 393 CG1 VAL A 26 2.023 3.132 5.253 1.00 32.51 C ATOM 394 CG2 VAL A 26 3.016 5.314 6.006 1.00 42.41 C ATOM 0 H VAL A 26 1.854 5.748 8.292 1.00 54.51 H new ATOM 0 HA VAL A 26 0.244 5.064 6.128 1.00 40.31 H new ATOM 0 HB VAL A 26 2.683 3.596 7.231 1.00 63.11 H new ATOM 0 HG11 VAL A 26 3.011 2.828 4.906 1.00 32.51 H new ATOM 0 HG12 VAL A 26 1.468 2.254 5.582 1.00 32.51 H new ATOM 0 HG13 VAL A 26 1.485 3.617 4.438 1.00 32.51 H new ATOM 0 HG21 VAL A 26 3.988 4.973 5.649 1.00 42.41 H new ATOM 0 HG22 VAL A 26 2.509 5.860 5.211 1.00 42.41 H new ATOM 0 HG23 VAL A 26 3.155 5.970 6.865 1.00 42.41 H new ATOM 404 N LEU A 27 0.311 2.689 8.463 1.00 55.32 N ATOM 405 CA LEU A 27 -0.416 1.499 8.930 1.00 41.52 C ATOM 406 C LEU A 27 -1.873 1.840 9.287 1.00 14.24 C ATOM 407 O LEU A 27 -2.766 0.999 9.153 1.00 71.04 O ATOM 408 CB LEU A 27 0.292 0.861 10.133 1.00 42.20 C ATOM 409 CG LEU A 27 1.694 0.298 9.845 1.00 1.21 C ATOM 410 CD1 LEU A 27 2.318 -0.288 11.109 1.00 20.12 C ATOM 411 CD2 LEU A 27 1.632 -0.753 8.740 1.00 0.02 C ATOM 0 H LEU A 27 1.083 2.978 9.063 1.00 55.32 H new ATOM 0 HA LEU A 27 -0.426 0.779 8.112 1.00 41.52 H new ATOM 0 HB2 LEU A 27 0.373 1.607 10.924 1.00 42.20 H new ATOM 0 HB3 LEU A 27 -0.334 0.055 10.517 1.00 42.20 H new ATOM 0 HG LEU A 27 2.326 1.119 9.506 1.00 1.21 H new ATOM 0 HD11 LEU A 27 3.309 -0.679 10.878 1.00 20.12 H new ATOM 0 HD12 LEU A 27 2.403 0.490 11.867 1.00 20.12 H new ATOM 0 HD13 LEU A 27 1.688 -1.094 11.486 1.00 20.12 H new ATOM 0 HD21 LEU A 27 2.633 -1.140 8.550 1.00 0.02 H new ATOM 0 HD22 LEU A 27 0.980 -1.569 9.051 1.00 0.02 H new ATOM 0 HD23 LEU A 27 1.239 -0.301 7.830 1.00 0.02 H new ATOM 423 N ALA A 28 -2.103 3.077 9.730 1.00 44.01 N ATOM 424 CA ALA A 28 -3.459 3.564 10.015 1.00 32.53 C ATOM 425 C ALA A 28 -4.280 3.681 8.723 1.00 12.24 C ATOM 426 O ALA A 28 -5.459 3.330 8.685 1.00 53.42 O ATOM 427 CB ALA A 28 -3.400 4.907 10.737 1.00 24.51 C ATOM 0 H ALA A 28 -1.368 3.763 9.900 1.00 44.01 H new ATOM 0 HA ALA A 28 -3.953 2.842 10.665 1.00 32.53 H new ATOM 0 HB1 ALA A 28 -4.413 5.255 10.941 1.00 24.51 H new ATOM 0 HB2 ALA A 28 -2.859 4.792 11.676 1.00 24.51 H new ATOM 0 HB3 ALA A 28 -2.886 5.635 10.110 1.00 24.51 H new ATOM 433 N ALA A 29 -3.650 4.186 7.665 1.00 75.45 N ATOM 434 CA ALA A 29 -4.285 4.261 6.345 1.00 52.04 C ATOM 435 C ALA A 29 -4.538 2.860 5.774 1.00 34.33 C ATOM 436 O ALA A 29 -5.590 2.589 5.192 1.00 64.11 O ATOM 437 CB ALA A 29 -3.418 5.076 5.390 1.00 63.24 C ATOM 0 H ALA A 29 -2.698 4.551 7.693 1.00 75.45 H new ATOM 0 HA ALA A 29 -5.249 4.757 6.458 1.00 52.04 H new ATOM 0 HB1 ALA A 29 -3.899 5.125 4.413 1.00 63.24 H new ATOM 0 HB2 ALA A 29 -3.292 6.085 5.784 1.00 63.24 H new ATOM 0 HB3 ALA A 29 -2.442 4.601 5.290 1.00 63.24 H new ATOM 443 N LEU A 30 -3.565 1.975 5.972 1.00 22.20 N ATOM 444 CA LEU A 30 -3.635 0.593 5.488 1.00 35.15 C ATOM 445 C LEU A 30 -4.891 -0.131 6.008 1.00 73.13 C ATOM 446 O LEU A 30 -5.711 -0.613 5.223 1.00 25.54 O ATOM 447 CB LEU A 30 -2.365 -0.160 5.918 1.00 2.44 C ATOM 448 CG LEU A 30 -2.263 -1.619 5.449 1.00 24.12 C ATOM 449 CD1 LEU A 30 -2.296 -1.704 3.925 1.00 64.13 C ATOM 450 CD2 LEU A 30 -0.996 -2.271 5.999 1.00 22.31 C ATOM 0 H LEU A 30 -2.703 2.193 6.473 1.00 22.20 H new ATOM 0 HA LEU A 30 -3.702 0.613 4.400 1.00 35.15 H new ATOM 0 HB2 LEU A 30 -1.498 0.384 5.543 1.00 2.44 H new ATOM 0 HB3 LEU A 30 -2.306 -0.143 7.006 1.00 2.44 H new ATOM 0 HG LEU A 30 -3.125 -2.162 5.836 1.00 24.12 H new ATOM 0 HD11 LEU A 30 -2.222 -2.747 3.617 1.00 64.13 H new ATOM 0 HD12 LEU A 30 -3.231 -1.282 3.557 1.00 64.13 H new ATOM 0 HD13 LEU A 30 -1.458 -1.143 3.511 1.00 64.13 H new ATOM 0 HD21 LEU A 30 -0.940 -3.304 5.657 1.00 22.31 H new ATOM 0 HD22 LEU A 30 -0.122 -1.724 5.645 1.00 22.31 H new ATOM 0 HD23 LEU A 30 -1.020 -2.251 7.089 1.00 22.31 H new ATOM 462 N GLU A 31 -5.045 -0.183 7.333 1.00 15.40 N ATOM 463 CA GLU A 31 -6.198 -0.858 7.954 1.00 0.33 C ATOM 464 C GLU A 31 -7.535 -0.224 7.522 1.00 54.43 C ATOM 465 O GLU A 31 -8.527 -0.924 7.309 1.00 31.12 O ATOM 466 CB GLU A 31 -6.071 -0.833 9.487 1.00 65.40 C ATOM 467 CG GLU A 31 -5.925 0.567 10.072 1.00 2.03 C ATOM 468 CD GLU A 31 -5.823 0.571 11.590 1.00 35.33 C ATOM 469 OE1 GLU A 31 -4.771 0.159 12.125 1.00 0.04 O ATOM 470 OE2 GLU A 31 -6.797 0.979 12.258 1.00 10.40 O ATOM 0 H GLU A 31 -4.392 0.231 7.998 1.00 15.40 H new ATOM 0 HA GLU A 31 -6.195 -1.892 7.610 1.00 0.33 H new ATOM 0 HB2 GLU A 31 -6.950 -1.308 9.922 1.00 65.40 H new ATOM 0 HB3 GLU A 31 -5.208 -1.430 9.780 1.00 65.40 H new ATOM 0 HG2 GLU A 31 -5.036 1.039 9.653 1.00 2.03 H new ATOM 0 HG3 GLU A 31 -6.780 1.172 9.769 1.00 2.03 H new ATOM 477 N GLN A 32 -7.552 1.102 7.382 1.00 10.43 N ATOM 478 CA GLN A 32 -8.759 1.821 6.953 1.00 4.53 C ATOM 479 C GLN A 32 -9.041 1.622 5.457 1.00 53.40 C ATOM 480 O GLN A 32 -10.169 1.811 5.003 1.00 51.23 O ATOM 481 CB GLN A 32 -8.628 3.319 7.266 1.00 64.34 C ATOM 482 CG GLN A 32 -8.547 3.623 8.758 1.00 53.43 C ATOM 483 CD GLN A 32 -8.425 5.110 9.046 1.00 45.01 C ATOM 484 OE1 GLN A 32 -9.419 5.804 9.227 1.00 14.31 O ATOM 485 NE2 GLN A 32 -7.209 5.611 9.091 1.00 34.23 N ATOM 0 H GLN A 32 -6.746 1.702 7.558 1.00 10.43 H new ATOM 0 HA GLN A 32 -9.600 1.407 7.509 1.00 4.53 H new ATOM 0 HB2 GLN A 32 -7.736 3.708 6.775 1.00 64.34 H new ATOM 0 HB3 GLN A 32 -9.482 3.847 6.841 1.00 64.34 H new ATOM 0 HG2 GLN A 32 -9.436 3.233 9.253 1.00 53.43 H new ATOM 0 HG3 GLN A 32 -7.690 3.103 9.185 1.00 53.43 H new ATOM 0 HE21 GLN A 32 -6.402 5.006 8.936 1.00 34.23 H new ATOM 0 HE22 GLN A 32 -7.073 6.604 9.281 1.00 34.23 H new ATOM 494 N SER A 33 -8.014 1.250 4.697 1.00 41.04 N ATOM 495 CA SER A 33 -8.160 0.983 3.255 1.00 63.13 C ATOM 496 C SER A 33 -8.363 -0.514 2.981 1.00 22.30 C ATOM 497 O SER A 33 -8.361 -0.952 1.828 1.00 72.52 O ATOM 498 CB SER A 33 -6.922 1.475 2.495 1.00 1.41 C ATOM 499 OG SER A 33 -6.739 2.871 2.659 1.00 23.14 O ATOM 0 H SER A 33 -7.066 1.124 5.051 1.00 41.04 H new ATOM 0 HA SER A 33 -9.042 1.522 2.908 1.00 63.13 H new ATOM 0 HB2 SER A 33 -6.039 0.946 2.853 1.00 1.41 H new ATOM 0 HB3 SER A 33 -7.026 1.242 1.435 1.00 1.41 H new ATOM 0 HG SER A 33 -6.325 3.047 3.530 1.00 23.14 H new ATOM 505 N SER A 34 -8.530 -1.293 4.047 1.00 51.12 N ATOM 506 CA SER A 34 -8.710 -2.747 3.930 1.00 21.22 C ATOM 507 C SER A 34 -10.177 -3.123 3.696 1.00 2.43 C ATOM 508 O SER A 34 -11.090 -2.487 4.230 1.00 12.41 O ATOM 509 CB SER A 34 -8.206 -3.452 5.198 1.00 55.44 C ATOM 510 OG SER A 34 -6.824 -3.209 5.415 1.00 20.01 O ATOM 0 H SER A 34 -8.545 -0.945 5.006 1.00 51.12 H new ATOM 0 HA SER A 34 -8.129 -3.074 3.067 1.00 21.22 H new ATOM 0 HB2 SER A 34 -8.777 -3.105 6.059 1.00 55.44 H new ATOM 0 HB3 SER A 34 -8.379 -4.525 5.112 1.00 55.44 H new ATOM 0 HG SER A 34 -6.652 -2.245 5.380 1.00 20.01 H new ATOM 516 N ASP A 35 -10.396 -4.157 2.889 1.00 53.14 N ATOM 517 CA ASP A 35 -11.737 -4.712 2.685 1.00 63.24 C ATOM 518 C ASP A 35 -12.138 -5.606 3.872 1.00 22.34 C ATOM 519 O ASP A 35 -11.330 -5.866 4.766 1.00 24.21 O ATOM 520 CB ASP A 35 -11.788 -5.527 1.386 1.00 70.23 C ATOM 521 CG ASP A 35 -11.438 -4.706 0.156 1.00 12.32 C ATOM 522 OD1 ASP A 35 -12.078 -3.656 -0.062 1.00 23.14 O ATOM 523 OD2 ASP A 35 -10.545 -5.123 -0.614 1.00 40.34 O ATOM 0 H ASP A 35 -9.662 -4.631 2.363 1.00 53.14 H new ATOM 0 HA ASP A 35 -12.440 -3.882 2.613 1.00 63.24 H new ATOM 0 HB2 ASP A 35 -11.098 -6.367 1.463 1.00 70.23 H new ATOM 0 HB3 ASP A 35 -12.787 -5.945 1.265 1.00 70.23 H new ATOM 528 N ASP A 36 -13.377 -6.094 3.865 1.00 4.02 N ATOM 529 CA ASP A 36 -13.870 -6.983 4.926 1.00 60.44 C ATOM 530 C ASP A 36 -13.033 -8.281 5.020 1.00 11.23 C ATOM 531 O ASP A 36 -13.032 -8.963 6.046 1.00 21.21 O ATOM 532 CB ASP A 36 -15.347 -7.311 4.677 1.00 44.14 C ATOM 533 CG ASP A 36 -15.962 -8.110 5.811 1.00 33.42 C ATOM 534 OD1 ASP A 36 -16.322 -7.505 6.840 1.00 71.45 O ATOM 535 OD2 ASP A 36 -16.091 -9.343 5.682 1.00 33.21 O ATOM 0 H ASP A 36 -14.062 -5.891 3.137 1.00 4.02 H new ATOM 0 HA ASP A 36 -13.770 -6.465 5.880 1.00 60.44 H new ATOM 0 HB2 ASP A 36 -15.905 -6.384 4.545 1.00 44.14 H new ATOM 0 HB3 ASP A 36 -15.440 -7.874 3.748 1.00 44.14 H new ATOM 540 N ALA A 37 -12.314 -8.608 3.945 1.00 22.12 N ATOM 541 CA ALA A 37 -11.454 -9.800 3.914 1.00 63.31 C ATOM 542 C ALA A 37 -10.134 -9.584 4.680 1.00 23.31 C ATOM 543 O ALA A 37 -9.399 -10.537 4.951 1.00 42.31 O ATOM 544 CB ALA A 37 -11.169 -10.200 2.472 1.00 73.43 C ATOM 0 H ALA A 37 -12.308 -8.065 3.081 1.00 22.12 H new ATOM 0 HA ALA A 37 -11.991 -10.605 4.415 1.00 63.31 H new ATOM 0 HB1 ALA A 37 -10.531 -11.084 2.459 1.00 73.43 H new ATOM 0 HB2 ALA A 37 -12.107 -10.422 1.964 1.00 73.43 H new ATOM 0 HB3 ALA A 37 -10.664 -9.381 1.960 1.00 73.43 H new ATOM 550 N GLY A 38 -9.838 -8.330 5.023 1.00 13.24 N ATOM 551 CA GLY A 38 -8.620 -8.010 5.767 1.00 73.54 C ATOM 552 C GLY A 38 -7.475 -7.519 4.883 1.00 14.43 C ATOM 553 O GLY A 38 -6.417 -7.133 5.383 1.00 61.51 O ATOM 0 H GLY A 38 -10.421 -7.524 4.799 1.00 13.24 H new ATOM 0 HA2 GLY A 38 -8.848 -7.245 6.510 1.00 73.54 H new ATOM 0 HA3 GLY A 38 -8.293 -8.896 6.311 1.00 73.54 H new ATOM 557 N TRP A 39 -7.679 -7.534 3.567 1.00 14.15 N ATOM 558 CA TRP A 39 -6.656 -7.083 2.615 1.00 51.22 C ATOM 559 C TRP A 39 -6.982 -5.693 2.048 1.00 1.32 C ATOM 560 O TRP A 39 -8.132 -5.391 1.729 1.00 64.54 O ATOM 561 CB TRP A 39 -6.514 -8.089 1.467 1.00 12.24 C ATOM 562 CG TRP A 39 -5.937 -9.404 1.892 1.00 75.25 C ATOM 563 CD1 TRP A 39 -6.618 -10.487 2.368 1.00 74.10 C ATOM 564 CD2 TRP A 39 -4.553 -9.771 1.881 1.00 31.21 C ATOM 565 NE1 TRP A 39 -5.743 -11.505 2.649 1.00 60.00 N ATOM 566 CE2 TRP A 39 -4.468 -11.090 2.357 1.00 21.13 C ATOM 567 CE3 TRP A 39 -3.380 -9.110 1.510 1.00 41.15 C ATOM 568 CZ2 TRP A 39 -3.256 -11.761 2.476 1.00 74.40 C ATOM 569 CZ3 TRP A 39 -2.176 -9.776 1.627 1.00 50.22 C ATOM 570 CH2 TRP A 39 -2.122 -11.090 2.104 1.00 31.42 C ATOM 0 H TRP A 39 -8.544 -7.854 3.131 1.00 14.15 H new ATOM 0 HA TRP A 39 -5.713 -7.015 3.158 1.00 51.22 H new ATOM 0 HB2 TRP A 39 -7.494 -8.259 1.020 1.00 12.24 H new ATOM 0 HB3 TRP A 39 -5.881 -7.657 0.692 1.00 12.24 H new ATOM 0 HD1 TRP A 39 -7.688 -10.535 2.503 1.00 74.10 H new ATOM 0 HE1 TRP A 39 -5.999 -12.422 3.016 1.00 60.00 H new ATOM 0 HE3 TRP A 39 -3.414 -8.097 1.138 1.00 41.15 H new ATOM 0 HZ2 TRP A 39 -3.211 -12.774 2.848 1.00 74.40 H new ATOM 0 HZ3 TRP A 39 -1.262 -9.275 1.346 1.00 50.22 H new ATOM 0 HH2 TRP A 39 -1.166 -11.586 2.180 1.00 31.42 H new ATOM 581 N ALA A 40 -5.955 -4.856 1.915 1.00 60.03 N ATOM 582 CA ALA A 40 -6.113 -3.499 1.385 1.00 41.24 C ATOM 583 C ALA A 40 -5.517 -3.376 -0.022 1.00 51.21 C ATOM 584 O ALA A 40 -4.309 -3.512 -0.207 1.00 11.24 O ATOM 585 CB ALA A 40 -5.449 -2.495 2.319 1.00 14.52 C ATOM 0 H ALA A 40 -4.996 -5.095 2.169 1.00 60.03 H new ATOM 0 HA ALA A 40 -7.180 -3.285 1.320 1.00 41.24 H new ATOM 0 HB1 ALA A 40 -5.571 -1.489 1.918 1.00 14.52 H new ATOM 0 HB2 ALA A 40 -5.913 -2.552 3.304 1.00 14.52 H new ATOM 0 HB3 ALA A 40 -4.387 -2.725 2.405 1.00 14.52 H new ATOM 591 N ASN A 41 -6.369 -3.114 -1.009 1.00 43.20 N ATOM 592 CA ASN A 41 -5.919 -2.962 -2.399 1.00 74.04 C ATOM 593 C ASN A 41 -4.989 -1.745 -2.543 1.00 40.44 C ATOM 594 O ASN A 41 -5.278 -0.668 -2.018 1.00 25.15 O ATOM 595 CB ASN A 41 -7.140 -2.828 -3.326 1.00 71.40 C ATOM 596 CG ASN A 41 -6.786 -2.838 -4.808 1.00 22.41 C ATOM 597 OD1 ASN A 41 -5.754 -2.324 -5.225 1.00 41.33 O ATOM 598 ND2 ASN A 41 -7.636 -3.440 -5.618 1.00 21.40 N ATOM 0 H ASN A 41 -7.374 -3.002 -0.878 1.00 43.20 H new ATOM 0 HA ASN A 41 -5.352 -3.848 -2.685 1.00 74.04 H new ATOM 0 HB2 ASN A 41 -7.832 -3.645 -3.121 1.00 71.40 H new ATOM 0 HB3 ASN A 41 -7.663 -1.901 -3.092 1.00 71.40 H new ATOM 0 HD21 ASN A 41 -7.442 -3.486 -6.618 1.00 21.40 H new ATOM 0 HD22 ASN A 41 -8.487 -3.859 -5.244 1.00 21.40 H new ATOM 605 N LEU A 42 -3.881 -1.927 -3.264 1.00 1.02 N ATOM 606 CA LEU A 42 -2.883 -0.867 -3.471 1.00 31.21 C ATOM 607 C LEU A 42 -3.534 0.442 -3.952 1.00 74.15 C ATOM 608 O LEU A 42 -3.094 1.537 -3.589 1.00 42.34 O ATOM 609 CB LEU A 42 -1.833 -1.332 -4.489 1.00 24.31 C ATOM 610 CG LEU A 42 -0.677 -0.348 -4.752 1.00 74.23 C ATOM 611 CD1 LEU A 42 0.160 -0.130 -3.491 1.00 54.14 C ATOM 612 CD2 LEU A 42 0.197 -0.841 -5.903 1.00 70.22 C ATOM 0 H LEU A 42 -3.648 -2.809 -3.721 1.00 1.02 H new ATOM 0 HA LEU A 42 -2.404 -0.668 -2.512 1.00 31.21 H new ATOM 0 HB2 LEU A 42 -1.411 -2.276 -4.143 1.00 24.31 H new ATOM 0 HB3 LEU A 42 -2.335 -1.535 -5.435 1.00 24.31 H new ATOM 0 HG LEU A 42 -1.110 0.612 -5.035 1.00 74.23 H new ATOM 0 HD11 LEU A 42 0.968 0.569 -3.707 1.00 54.14 H new ATOM 0 HD12 LEU A 42 -0.471 0.278 -2.701 1.00 54.14 H new ATOM 0 HD13 LEU A 42 0.580 -1.081 -3.164 1.00 54.14 H new ATOM 0 HD21 LEU A 42 1.008 -0.133 -6.073 1.00 70.22 H new ATOM 0 HD22 LEU A 42 0.614 -1.816 -5.651 1.00 70.22 H new ATOM 0 HD23 LEU A 42 -0.406 -0.927 -6.807 1.00 70.22 H new ATOM 624 N GLY A 43 -4.578 0.317 -4.773 1.00 31.13 N ATOM 625 CA GLY A 43 -5.332 1.485 -5.223 1.00 73.35 C ATOM 626 C GLY A 43 -5.939 2.272 -4.065 1.00 64.50 C ATOM 627 O GLY A 43 -5.874 3.500 -4.035 1.00 75.22 O ATOM 0 H GLY A 43 -4.917 -0.574 -5.136 1.00 31.13 H new ATOM 0 HA2 GLY A 43 -4.675 2.138 -5.797 1.00 73.35 H new ATOM 0 HA3 GLY A 43 -6.127 1.163 -5.895 1.00 73.35 H new ATOM 631 N ASN A 44 -6.524 1.558 -3.105 1.00 64.22 N ATOM 632 CA ASN A 44 -7.096 2.188 -1.910 1.00 41.10 C ATOM 633 C ASN A 44 -5.982 2.716 -0.994 1.00 22.15 C ATOM 634 O ASN A 44 -6.038 3.845 -0.510 1.00 35.32 O ATOM 635 CB ASN A 44 -7.959 1.192 -1.128 1.00 41.24 C ATOM 636 CG ASN A 44 -8.978 0.476 -1.994 1.00 42.24 C ATOM 637 OD1 ASN A 44 -9.415 0.982 -3.021 1.00 41.14 O ATOM 638 ND2 ASN A 44 -9.384 -0.701 -1.571 1.00 4.41 N ATOM 0 H ASN A 44 -6.616 0.542 -3.129 1.00 64.22 H new ATOM 0 HA ASN A 44 -7.720 3.019 -2.240 1.00 41.10 H new ATOM 0 HB2 ASN A 44 -7.312 0.454 -0.654 1.00 41.24 H new ATOM 0 HB3 ASN A 44 -8.478 1.720 -0.329 1.00 41.24 H new ATOM 0 HD21 ASN A 44 -10.083 -1.221 -2.102 1.00 4.41 H new ATOM 0 HD22 ASN A 44 -9.000 -1.094 -0.712 1.00 4.41 H new ATOM 645 N PHE A 45 -4.969 1.875 -0.779 1.00 22.14 N ATOM 646 CA PHE A 45 -3.824 2.209 0.074 1.00 74.41 C ATOM 647 C PHE A 45 -3.178 3.544 -0.332 1.00 35.32 C ATOM 648 O PHE A 45 -3.129 4.479 0.460 1.00 12.34 O ATOM 649 CB PHE A 45 -2.792 1.076 0.006 1.00 3.03 C ATOM 650 CG PHE A 45 -1.532 1.328 0.802 1.00 74.33 C ATOM 651 CD1 PHE A 45 -1.559 1.324 2.190 1.00 73.12 C ATOM 652 CD2 PHE A 45 -0.318 1.556 0.163 1.00 52.24 C ATOM 653 CE1 PHE A 45 -0.406 1.541 2.921 1.00 34.15 C ATOM 654 CE2 PHE A 45 0.837 1.775 0.891 1.00 62.32 C ATOM 655 CZ PHE A 45 0.792 1.765 2.271 1.00 43.14 C ATOM 0 H PHE A 45 -4.918 0.943 -1.191 1.00 22.14 H new ATOM 0 HA PHE A 45 -4.183 2.322 1.097 1.00 74.41 H new ATOM 0 HB2 PHE A 45 -3.256 0.157 0.365 1.00 3.03 H new ATOM 0 HB3 PHE A 45 -2.521 0.910 -1.037 1.00 3.03 H new ATOM 0 HD1 PHE A 45 -2.492 1.149 2.705 1.00 73.12 H new ATOM 0 HD2 PHE A 45 -0.277 1.562 -0.916 1.00 52.24 H new ATOM 0 HE1 PHE A 45 -0.442 1.535 4.000 1.00 34.15 H new ATOM 0 HE2 PHE A 45 1.772 1.953 0.381 1.00 62.32 H new ATOM 0 HZ PHE A 45 1.693 1.932 2.842 1.00 43.14 H new ATOM 665 N GLY A 46 -2.702 3.629 -1.573 1.00 4.32 N ATOM 666 CA GLY A 46 -2.064 4.854 -2.050 1.00 42.51 C ATOM 667 C GLY A 46 -2.995 6.066 -2.029 1.00 25.35 C ATOM 668 O GLY A 46 -2.566 7.185 -1.744 1.00 0.13 O ATOM 0 H GLY A 46 -2.745 2.875 -2.258 1.00 4.32 H new ATOM 0 HA2 GLY A 46 -1.190 5.065 -1.433 1.00 42.51 H new ATOM 0 HA3 GLY A 46 -1.706 4.697 -3.067 1.00 42.51 H new ATOM 672 N ASN A 47 -4.274 5.836 -2.317 1.00 4.41 N ATOM 673 CA ASN A 47 -5.274 6.910 -2.352 1.00 12.00 C ATOM 674 C ASN A 47 -5.500 7.515 -0.953 1.00 65.52 C ATOM 675 O ASN A 47 -5.384 8.730 -0.759 1.00 12.05 O ATOM 676 CB ASN A 47 -6.593 6.360 -2.923 1.00 52.43 C ATOM 677 CG ASN A 47 -7.620 7.438 -3.234 1.00 24.23 C ATOM 678 OD1 ASN A 47 -7.694 8.467 -2.574 1.00 11.11 O ATOM 679 ND2 ASN A 47 -8.422 7.212 -4.256 1.00 51.14 N ATOM 0 H ASN A 47 -4.648 4.911 -2.531 1.00 4.41 H new ATOM 0 HA ASN A 47 -4.904 7.709 -2.995 1.00 12.00 H new ATOM 0 HB2 ASN A 47 -6.379 5.800 -3.834 1.00 52.43 H new ATOM 0 HB3 ASN A 47 -7.022 5.656 -2.210 1.00 52.43 H new ATOM 0 HD21 ASN A 47 -9.126 7.903 -4.514 1.00 51.14 H new ATOM 0 HD22 ASN A 47 -8.338 6.346 -4.788 1.00 51.14 H new ATOM 686 N TYR A 48 -5.817 6.664 0.024 1.00 3.01 N ATOM 687 CA TYR A 48 -6.096 7.125 1.389 1.00 75.11 C ATOM 688 C TYR A 48 -4.808 7.529 2.136 1.00 54.21 C ATOM 689 O TYR A 48 -4.814 8.469 2.932 1.00 31.35 O ATOM 690 CB TYR A 48 -6.850 6.044 2.177 1.00 51.33 C ATOM 691 CG TYR A 48 -7.462 6.558 3.468 1.00 24.41 C ATOM 692 CD1 TYR A 48 -8.580 7.383 3.439 1.00 64.04 C ATOM 693 CD2 TYR A 48 -6.914 6.242 4.708 1.00 70.51 C ATOM 694 CE1 TYR A 48 -9.139 7.875 4.603 1.00 54.21 C ATOM 695 CE2 TYR A 48 -7.465 6.733 5.877 1.00 72.31 C ATOM 696 CZ TYR A 48 -8.576 7.549 5.819 1.00 11.33 C ATOM 697 OH TYR A 48 -9.124 8.044 6.981 1.00 61.12 O ATOM 0 H TYR A 48 -5.887 5.654 -0.102 1.00 3.01 H new ATOM 0 HA TYR A 48 -6.723 8.013 1.310 1.00 75.11 H new ATOM 0 HB2 TYR A 48 -7.639 5.630 1.549 1.00 51.33 H new ATOM 0 HB3 TYR A 48 -6.165 5.228 2.408 1.00 51.33 H new ATOM 0 HD1 TYR A 48 -9.020 7.645 2.488 1.00 64.04 H new ATOM 0 HD2 TYR A 48 -6.045 5.603 4.758 1.00 70.51 H new ATOM 0 HE1 TYR A 48 -10.011 8.511 4.561 1.00 54.21 H new ATOM 0 HE2 TYR A 48 -7.028 6.479 6.831 1.00 72.31 H new ATOM 0 HH TYR A 48 -9.197 7.323 7.641 1.00 61.12 H new ATOM 707 N LEU A 49 -3.708 6.820 1.877 1.00 4.04 N ATOM 708 CA LEU A 49 -2.412 7.149 2.489 1.00 51.12 C ATOM 709 C LEU A 49 -1.992 8.586 2.164 1.00 75.34 C ATOM 710 O LEU A 49 -1.557 9.332 3.040 1.00 51.12 O ATOM 711 CB LEU A 49 -1.326 6.173 2.013 1.00 4.14 C ATOM 712 CG LEU A 49 0.103 6.493 2.484 1.00 32.20 C ATOM 713 CD1 LEU A 49 0.176 6.541 4.007 1.00 2.24 C ATOM 714 CD2 LEU A 49 1.098 5.478 1.923 1.00 40.53 C ATOM 0 H LEU A 49 -3.685 6.016 1.250 1.00 4.04 H new ATOM 0 HA LEU A 49 -2.527 7.058 3.569 1.00 51.12 H new ATOM 0 HB2 LEU A 49 -1.587 5.171 2.355 1.00 4.14 H new ATOM 0 HB3 LEU A 49 -1.334 6.150 0.923 1.00 4.14 H new ATOM 0 HG LEU A 49 0.372 7.478 2.103 1.00 32.20 H new ATOM 0 HD11 LEU A 49 1.196 6.769 4.315 1.00 2.24 H new ATOM 0 HD12 LEU A 49 -0.497 7.314 4.379 1.00 2.24 H new ATOM 0 HD13 LEU A 49 -0.119 5.575 4.416 1.00 2.24 H new ATOM 0 HD21 LEU A 49 2.102 5.723 2.269 1.00 40.53 H new ATOM 0 HD22 LEU A 49 0.830 4.478 2.266 1.00 40.53 H new ATOM 0 HD23 LEU A 49 1.072 5.507 0.834 1.00 40.53 H new ATOM 726 N ASN A 50 -2.147 8.969 0.900 1.00 43.14 N ATOM 727 CA ASN A 50 -1.775 10.313 0.449 1.00 43.31 C ATOM 728 C ASN A 50 -2.635 11.399 1.132 1.00 42.01 C ATOM 729 O ASN A 50 -2.307 12.581 1.085 1.00 13.25 O ATOM 730 CB ASN A 50 -1.891 10.396 -1.080 1.00 45.44 C ATOM 731 CG ASN A 50 -1.292 11.672 -1.647 1.00 0.40 C ATOM 732 OD1 ASN A 50 -1.989 12.647 -1.895 1.00 60.23 O ATOM 733 ND2 ASN A 50 0.013 11.680 -1.846 1.00 62.51 N ATOM 0 H ASN A 50 -2.527 8.370 0.167 1.00 43.14 H new ATOM 0 HA ASN A 50 -0.740 10.500 0.736 1.00 43.31 H new ATOM 0 HB2 ASN A 50 -1.391 9.536 -1.525 1.00 45.44 H new ATOM 0 HB3 ASN A 50 -2.942 10.336 -1.364 1.00 45.44 H new ATOM 0 HD21 ASN A 50 0.467 12.515 -2.216 1.00 62.51 H new ATOM 0 HD22 ASN A 50 0.567 10.851 -1.629 1.00 62.51 H new ATOM 740 N LYS A 51 -3.737 10.991 1.770 1.00 22.51 N ATOM 741 CA LYS A 51 -4.568 11.916 2.553 1.00 32.33 C ATOM 742 C LYS A 51 -3.937 12.195 3.924 1.00 21.33 C ATOM 743 O LYS A 51 -3.918 13.333 4.393 1.00 42.32 O ATOM 744 CB LYS A 51 -5.981 11.349 2.749 1.00 62.40 C ATOM 745 CG LYS A 51 -6.731 11.085 1.447 1.00 61.14 C ATOM 746 CD LYS A 51 -8.148 10.579 1.699 1.00 1.14 C ATOM 747 CE LYS A 51 -8.997 11.606 2.444 1.00 24.11 C ATOM 748 NZ LYS A 51 -9.099 12.892 1.704 1.00 14.43 N ATOM 0 H LYS A 51 -4.075 10.029 1.761 1.00 22.51 H new ATOM 0 HA LYS A 51 -4.632 12.850 1.995 1.00 32.33 H new ATOM 0 HB2 LYS A 51 -5.913 10.418 3.312 1.00 62.40 H new ATOM 0 HB3 LYS A 51 -6.560 12.046 3.355 1.00 62.40 H new ATOM 0 HG2 LYS A 51 -6.772 12.002 0.859 1.00 61.14 H new ATOM 0 HG3 LYS A 51 -6.184 10.352 0.855 1.00 61.14 H new ATOM 0 HD2 LYS A 51 -8.622 10.339 0.747 1.00 1.14 H new ATOM 0 HD3 LYS A 51 -8.106 9.656 2.277 1.00 1.14 H new ATOM 0 HE2 LYS A 51 -9.996 11.201 2.605 1.00 24.11 H new ATOM 0 HE3 LYS A 51 -8.564 11.788 3.428 1.00 24.11 H new ATOM 0 HZ1 LYS A 51 -9.827 13.490 2.145 1.00 14.43 H new ATOM 0 HZ2 LYS A 51 -8.183 13.383 1.733 1.00 14.43 H new ATOM 0 HZ3 LYS A 51 -9.359 12.704 0.715 1.00 14.43 H new ATOM 762 N LEU A 52 -3.424 11.149 4.569 1.00 73.02 N ATOM 763 CA LEU A 52 -2.793 11.287 5.886 1.00 31.02 C ATOM 764 C LEU A 52 -1.374 11.862 5.765 1.00 33.25 C ATOM 765 O LEU A 52 -0.948 12.680 6.583 1.00 72.13 O ATOM 766 CB LEU A 52 -2.752 9.930 6.607 1.00 25.44 C ATOM 767 CG LEU A 52 -4.114 9.234 6.786 1.00 70.02 C ATOM 768 CD1 LEU A 52 -3.969 7.972 7.631 1.00 1.34 C ATOM 769 CD2 LEU A 52 -5.140 10.185 7.401 1.00 35.34 C ATOM 0 H LEU A 52 -3.431 10.197 4.204 1.00 73.02 H new ATOM 0 HA LEU A 52 -3.394 11.983 6.472 1.00 31.02 H new ATOM 0 HB2 LEU A 52 -2.093 9.263 6.052 1.00 25.44 H new ATOM 0 HB3 LEU A 52 -2.305 10.074 7.591 1.00 25.44 H new ATOM 0 HG LEU A 52 -4.476 8.944 5.800 1.00 70.02 H new ATOM 0 HD11 LEU A 52 -4.943 7.496 7.745 1.00 1.34 H new ATOM 0 HD12 LEU A 52 -3.283 7.282 7.139 1.00 1.34 H new ATOM 0 HD13 LEU A 52 -3.577 8.235 8.613 1.00 1.34 H new ATOM 0 HD21 LEU A 52 -6.092 9.668 7.516 1.00 35.34 H new ATOM 0 HD22 LEU A 52 -4.788 10.518 8.377 1.00 35.34 H new ATOM 0 HD23 LEU A 52 -5.273 11.048 6.749 1.00 35.34 H new ATOM 781 N GLN A 53 -0.645 11.421 4.743 1.00 40.33 N ATOM 782 CA GLN A 53 0.712 11.915 4.468 1.00 24.03 C ATOM 783 C GLN A 53 0.908 12.212 2.971 1.00 62.54 C ATOM 784 O GLN A 53 1.486 11.409 2.238 1.00 53.33 O ATOM 785 CB GLN A 53 1.769 10.900 4.941 1.00 24.41 C ATOM 786 CG GLN A 53 1.894 10.773 6.455 1.00 42.21 C ATOM 787 CD GLN A 53 2.500 12.007 7.103 1.00 71.44 C ATOM 788 OE1 GLN A 53 3.712 12.119 7.243 1.00 23.30 O ATOM 789 NE2 GLN A 53 1.664 12.936 7.516 1.00 13.24 N ATOM 0 H GLN A 53 -0.971 10.715 4.083 1.00 40.33 H new ATOM 0 HA GLN A 53 0.839 12.845 5.023 1.00 24.03 H new ATOM 0 HB2 GLN A 53 1.525 9.922 4.526 1.00 24.41 H new ATOM 0 HB3 GLN A 53 2.738 11.187 4.532 1.00 24.41 H new ATOM 0 HG2 GLN A 53 0.908 10.592 6.882 1.00 42.21 H new ATOM 0 HG3 GLN A 53 2.509 9.905 6.692 1.00 42.21 H new ATOM 0 HE21 GLN A 53 0.660 12.813 7.385 1.00 13.24 H new ATOM 0 HE22 GLN A 53 2.020 13.779 7.967 1.00 13.24 H new ATOM 798 N PRO A 54 0.421 13.373 2.489 1.00 61.14 N ATOM 799 CA PRO A 54 0.592 13.779 1.080 1.00 12.23 C ATOM 800 C PRO A 54 2.061 14.068 0.725 1.00 23.53 C ATOM 801 O PRO A 54 2.429 14.140 -0.449 1.00 23.40 O ATOM 802 CB PRO A 54 -0.260 15.052 0.967 1.00 73.23 C ATOM 803 CG PRO A 54 -0.359 15.573 2.362 1.00 5.32 C ATOM 804 CD PRO A 54 -0.350 14.366 3.261 1.00 60.05 C ATOM 0 HA PRO A 54 0.290 12.991 0.390 1.00 12.23 H new ATOM 0 HB2 PRO A 54 0.206 15.782 0.305 1.00 73.23 H new ATOM 0 HB3 PRO A 54 -1.246 14.833 0.556 1.00 73.23 H new ATOM 0 HG2 PRO A 54 0.476 16.235 2.591 1.00 5.32 H new ATOM 0 HG3 PRO A 54 -1.272 16.153 2.497 1.00 5.32 H new ATOM 0 HD2 PRO A 54 0.120 14.583 4.220 1.00 60.05 H new ATOM 0 HD3 PRO A 54 -1.360 14.015 3.473 1.00 60.05 H new ATOM 812 N ASP A 55 2.888 14.235 1.755 1.00 0.40 N ATOM 813 CA ASP A 55 4.324 14.461 1.588 1.00 61.04 C ATOM 814 C ASP A 55 5.080 13.132 1.383 1.00 21.12 C ATOM 815 O ASP A 55 6.226 13.121 0.929 1.00 42.41 O ATOM 816 CB ASP A 55 4.862 15.200 2.822 1.00 13.55 C ATOM 817 CG ASP A 55 6.323 15.591 2.685 1.00 52.22 C ATOM 818 OD1 ASP A 55 6.625 16.499 1.883 1.00 50.01 O ATOM 819 OD2 ASP A 55 7.175 15.000 3.379 1.00 3.20 O ATOM 0 H ASP A 55 2.583 14.218 2.728 1.00 0.40 H new ATOM 0 HA ASP A 55 4.484 15.068 0.697 1.00 61.04 H new ATOM 0 HB2 ASP A 55 4.265 16.096 2.991 1.00 13.55 H new ATOM 0 HB3 ASP A 55 4.741 14.566 3.700 1.00 13.55 H new ATOM 824 N PHE A 56 4.426 12.013 1.699 1.00 15.33 N ATOM 825 CA PHE A 56 5.070 10.695 1.636 1.00 51.24 C ATOM 826 C PHE A 56 4.900 10.042 0.255 1.00 0.23 C ATOM 827 O PHE A 56 3.845 9.489 -0.062 1.00 54.41 O ATOM 828 CB PHE A 56 4.503 9.778 2.734 1.00 12.20 C ATOM 829 CG PHE A 56 5.157 8.417 2.796 1.00 75.23 C ATOM 830 CD1 PHE A 56 6.416 8.264 3.359 1.00 43.50 C ATOM 831 CD2 PHE A 56 4.510 7.292 2.297 1.00 24.13 C ATOM 832 CE1 PHE A 56 7.018 7.021 3.420 1.00 41.10 C ATOM 833 CE2 PHE A 56 5.109 6.048 2.355 1.00 22.14 C ATOM 834 CZ PHE A 56 6.365 5.912 2.919 1.00 31.22 C ATOM 0 H PHE A 56 3.452 11.990 2.001 1.00 15.33 H new ATOM 0 HA PHE A 56 6.138 10.838 1.801 1.00 51.24 H new ATOM 0 HB2 PHE A 56 4.619 10.270 3.700 1.00 12.20 H new ATOM 0 HB3 PHE A 56 3.433 9.649 2.569 1.00 12.20 H new ATOM 0 HD1 PHE A 56 6.932 9.127 3.754 1.00 43.50 H new ATOM 0 HD2 PHE A 56 3.528 7.392 1.859 1.00 24.13 H new ATOM 0 HE1 PHE A 56 7.999 6.917 3.859 1.00 41.10 H new ATOM 0 HE2 PHE A 56 4.597 5.183 1.960 1.00 22.14 H new ATOM 0 HZ PHE A 56 6.834 4.940 2.967 1.00 31.22 H new ATOM 844 N ASP A 57 5.943 10.130 -0.567 1.00 41.21 N ATOM 845 CA ASP A 57 5.963 9.472 -1.877 1.00 25.53 C ATOM 846 C ASP A 57 7.223 8.605 -2.047 1.00 20.03 C ATOM 847 O ASP A 57 8.306 8.966 -1.582 1.00 4.41 O ATOM 848 CB ASP A 57 5.876 10.498 -3.008 1.00 52.02 C ATOM 849 CG ASP A 57 5.819 9.821 -4.366 1.00 73.34 C ATOM 850 OD1 ASP A 57 4.779 9.212 -4.689 1.00 51.35 O ATOM 851 OD2 ASP A 57 6.824 9.864 -5.099 1.00 53.44 O ATOM 0 H ASP A 57 6.791 10.653 -0.350 1.00 41.21 H new ATOM 0 HA ASP A 57 5.089 8.822 -1.928 1.00 25.53 H new ATOM 0 HB2 ASP A 57 4.990 11.118 -2.871 1.00 52.02 H new ATOM 0 HB3 ASP A 57 6.740 11.162 -2.966 1.00 52.02 H new ATOM 856 N SER A 58 7.068 7.461 -2.715 1.00 13.23 N ATOM 857 CA SER A 58 8.161 6.489 -2.908 1.00 43.43 C ATOM 858 C SER A 58 9.451 7.131 -3.453 1.00 42.43 C ATOM 859 O SER A 58 10.556 6.677 -3.140 1.00 5.44 O ATOM 860 CB SER A 58 7.713 5.380 -3.869 1.00 4.45 C ATOM 861 OG SER A 58 7.432 5.899 -5.161 1.00 51.41 O ATOM 0 H SER A 58 6.185 7.176 -3.139 1.00 13.23 H new ATOM 0 HA SER A 58 8.388 6.080 -1.923 1.00 43.43 H new ATOM 0 HB2 SER A 58 8.493 4.622 -3.941 1.00 4.45 H new ATOM 0 HB3 SER A 58 6.825 4.888 -3.471 1.00 4.45 H new ATOM 0 HG SER A 58 8.251 5.900 -5.699 1.00 51.41 H new ATOM 867 N ARG A 59 9.311 8.182 -4.262 1.00 32.52 N ATOM 868 CA ARG A 59 10.471 8.847 -4.883 1.00 11.32 C ATOM 869 C ARG A 59 11.474 9.377 -3.844 1.00 13.35 C ATOM 870 O ARG A 59 12.673 9.469 -4.120 1.00 12.31 O ATOM 871 CB ARG A 59 10.004 9.995 -5.790 1.00 51.03 C ATOM 872 CG ARG A 59 9.294 9.533 -7.062 1.00 64.31 C ATOM 873 CD ARG A 59 10.217 8.711 -7.955 1.00 15.24 C ATOM 874 NE ARG A 59 11.452 9.427 -8.264 1.00 13.22 N ATOM 875 CZ ARG A 59 12.465 8.912 -8.905 1.00 63.12 C ATOM 876 NH1 ARG A 59 12.422 7.699 -9.354 1.00 61.10 N ATOM 877 NH2 ARG A 59 13.526 9.621 -9.108 1.00 34.45 N ATOM 0 H ARG A 59 8.411 8.595 -4.506 1.00 32.52 H new ATOM 0 HA ARG A 59 10.987 8.093 -5.478 1.00 11.32 H new ATOM 0 HB2 ARG A 59 9.331 10.640 -5.225 1.00 51.03 H new ATOM 0 HB3 ARG A 59 10.868 10.600 -6.067 1.00 51.03 H new ATOM 0 HG2 ARG A 59 8.420 8.938 -6.796 1.00 64.31 H new ATOM 0 HG3 ARG A 59 8.933 10.401 -7.613 1.00 64.31 H new ATOM 0 HD2 ARG A 59 10.457 7.769 -7.461 1.00 15.24 H new ATOM 0 HD3 ARG A 59 9.700 8.462 -8.882 1.00 15.24 H new ATOM 0 HE ARG A 59 11.528 10.397 -7.957 1.00 13.22 H new ATOM 0 HH11 ARG A 59 11.588 7.131 -9.209 1.00 61.10 H new ATOM 0 HH12 ARG A 59 13.223 7.311 -9.853 1.00 61.10 H new ATOM 0 HH21 ARG A 59 13.571 10.581 -8.767 1.00 34.45 H new ATOM 0 HH22 ARG A 59 14.319 9.220 -9.609 1.00 34.45 H new ATOM 891 N LEU A 60 10.987 9.714 -2.651 1.00 53.41 N ATOM 892 CA LEU A 60 11.843 10.240 -1.579 1.00 41.12 C ATOM 893 C LEU A 60 12.930 9.235 -1.166 1.00 45.21 C ATOM 894 O LEU A 60 14.043 9.620 -0.809 1.00 63.53 O ATOM 895 CB LEU A 60 10.991 10.603 -0.355 1.00 72.13 C ATOM 896 CG LEU A 60 9.899 11.656 -0.596 1.00 43.50 C ATOM 897 CD1 LEU A 60 9.088 11.883 0.676 1.00 31.11 C ATOM 898 CD2 LEU A 60 10.510 12.968 -1.096 1.00 22.43 C ATOM 0 H LEU A 60 10.002 9.633 -2.398 1.00 53.41 H new ATOM 0 HA LEU A 60 12.338 11.131 -1.966 1.00 41.12 H new ATOM 0 HB2 LEU A 60 10.519 9.695 0.019 1.00 72.13 H new ATOM 0 HB3 LEU A 60 11.653 10.965 0.432 1.00 72.13 H new ATOM 0 HG LEU A 60 9.226 11.284 -1.369 1.00 43.50 H new ATOM 0 HD11 LEU A 60 8.319 12.632 0.488 1.00 31.11 H new ATOM 0 HD12 LEU A 60 8.618 10.948 0.979 1.00 31.11 H new ATOM 0 HD13 LEU A 60 9.748 12.232 1.471 1.00 31.11 H new ATOM 0 HD21 LEU A 60 9.718 13.699 -1.260 1.00 22.43 H new ATOM 0 HD22 LEU A 60 11.209 13.351 -0.352 1.00 22.43 H new ATOM 0 HD23 LEU A 60 11.039 12.790 -2.032 1.00 22.43 H new ATOM 910 N TYR A 61 12.598 7.946 -1.219 1.00 52.23 N ATOM 911 CA TYR A 61 13.524 6.886 -0.795 1.00 3.44 C ATOM 912 C TYR A 61 14.188 6.189 -1.997 1.00 34.02 C ATOM 913 O TYR A 61 14.784 5.118 -1.858 1.00 20.12 O ATOM 914 CB TYR A 61 12.780 5.861 0.070 1.00 74.42 C ATOM 915 CG TYR A 61 12.234 6.444 1.362 1.00 4.24 C ATOM 916 CD1 TYR A 61 10.998 7.086 1.395 1.00 71.40 C ATOM 917 CD2 TYR A 61 12.960 6.361 2.546 1.00 53.35 C ATOM 918 CE1 TYR A 61 10.508 7.628 2.567 1.00 44.53 C ATOM 919 CE2 TYR A 61 12.473 6.898 3.721 1.00 2.22 C ATOM 920 CZ TYR A 61 11.247 7.530 3.727 1.00 3.13 C ATOM 921 OH TYR A 61 10.764 8.071 4.897 1.00 52.44 O ATOM 0 H TYR A 61 11.695 7.606 -1.551 1.00 52.23 H new ATOM 0 HA TYR A 61 14.317 7.350 -0.209 1.00 3.44 H new ATOM 0 HB2 TYR A 61 11.956 5.440 -0.506 1.00 74.42 H new ATOM 0 HB3 TYR A 61 13.455 5.039 0.308 1.00 74.42 H new ATOM 0 HD1 TYR A 61 10.414 7.161 0.490 1.00 71.40 H new ATOM 0 HD2 TYR A 61 13.921 5.868 2.546 1.00 53.35 H new ATOM 0 HE1 TYR A 61 9.550 8.127 2.575 1.00 44.53 H new ATOM 0 HE2 TYR A 61 13.049 6.824 4.631 1.00 2.22 H new ATOM 0 HH TYR A 61 9.784 8.047 4.889 1.00 52.44 H new ATOM 931 N GLY A 62 14.098 6.812 -3.170 1.00 14.15 N ATOM 932 CA GLY A 62 14.710 6.250 -4.371 1.00 74.24 C ATOM 933 C GLY A 62 13.914 5.101 -4.987 1.00 24.14 C ATOM 934 O GLY A 62 14.493 4.174 -5.561 1.00 61.42 O ATOM 0 H GLY A 62 13.612 7.697 -3.314 1.00 14.15 H new ATOM 0 HA2 GLY A 62 14.824 7.040 -5.113 1.00 74.24 H new ATOM 0 HA3 GLY A 62 15.711 5.896 -4.126 1.00 74.24 H new ATOM 938 N TYR A 63 12.589 5.146 -4.859 1.00 42.34 N ATOM 939 CA TYR A 63 11.710 4.151 -5.492 1.00 65.35 C ATOM 940 C TYR A 63 10.864 4.797 -6.598 1.00 14.31 C ATOM 941 O TYR A 63 10.181 5.797 -6.368 1.00 63.11 O ATOM 942 CB TYR A 63 10.800 3.489 -4.450 1.00 70.51 C ATOM 943 CG TYR A 63 11.545 2.636 -3.438 1.00 62.42 C ATOM 944 CD1 TYR A 63 12.065 3.192 -2.275 1.00 64.24 C ATOM 945 CD2 TYR A 63 11.728 1.273 -3.650 1.00 35.33 C ATOM 946 CE1 TYR A 63 12.745 2.417 -1.354 1.00 54.43 C ATOM 947 CE2 TYR A 63 12.404 0.492 -2.733 1.00 45.21 C ATOM 948 CZ TYR A 63 12.911 1.069 -1.587 1.00 62.12 C ATOM 949 OH TYR A 63 13.589 0.297 -0.668 1.00 32.03 O ATOM 0 H TYR A 63 12.095 5.860 -4.323 1.00 42.34 H new ATOM 0 HA TYR A 63 12.341 3.383 -5.941 1.00 65.35 H new ATOM 0 HB2 TYR A 63 10.246 4.264 -3.920 1.00 70.51 H new ATOM 0 HB3 TYR A 63 10.066 2.868 -4.964 1.00 70.51 H new ATOM 0 HD1 TYR A 63 11.936 4.248 -2.088 1.00 64.24 H new ATOM 0 HD2 TYR A 63 11.335 0.818 -4.547 1.00 35.33 H new ATOM 0 HE1 TYR A 63 13.144 2.866 -0.456 1.00 54.43 H new ATOM 0 HE2 TYR A 63 12.535 -0.565 -2.912 1.00 45.21 H new ATOM 0 HH TYR A 63 13.619 -0.632 -0.979 1.00 32.03 H new ATOM 959 N LYS A 64 10.904 4.209 -7.789 1.00 33.41 N ATOM 960 CA LYS A 64 10.229 4.766 -8.968 1.00 60.42 C ATOM 961 C LYS A 64 8.698 4.803 -8.811 1.00 1.51 C ATOM 962 O LYS A 64 8.026 5.627 -9.431 1.00 15.54 O ATOM 963 CB LYS A 64 10.613 3.955 -10.214 1.00 22.02 C ATOM 964 CG LYS A 64 12.121 3.905 -10.466 1.00 5.14 C ATOM 965 CD LYS A 64 12.478 3.015 -11.657 1.00 24.43 C ATOM 966 CE LYS A 64 11.904 3.547 -12.966 1.00 43.25 C ATOM 967 NZ LYS A 64 12.258 2.678 -14.119 1.00 14.02 N ATOM 0 H LYS A 64 11.401 3.337 -7.970 1.00 33.41 H new ATOM 0 HA LYS A 64 10.562 5.798 -9.077 1.00 60.42 H new ATOM 0 HB2 LYS A 64 10.236 2.938 -10.107 1.00 22.02 H new ATOM 0 HB3 LYS A 64 10.121 4.387 -11.085 1.00 22.02 H new ATOM 0 HG2 LYS A 64 12.491 4.914 -10.645 1.00 5.14 H new ATOM 0 HG3 LYS A 64 12.625 3.534 -9.573 1.00 5.14 H new ATOM 0 HD2 LYS A 64 13.562 2.941 -11.741 1.00 24.43 H new ATOM 0 HD3 LYS A 64 12.103 2.007 -11.481 1.00 24.43 H new ATOM 0 HE2 LYS A 64 10.819 3.618 -12.885 1.00 43.25 H new ATOM 0 HE3 LYS A 64 12.278 4.556 -13.143 1.00 43.25 H new ATOM 0 HZ1 LYS A 64 11.850 3.073 -14.990 1.00 14.02 H new ATOM 0 HZ2 LYS A 64 13.293 2.630 -14.213 1.00 14.02 H new ATOM 0 HZ3 LYS A 64 11.880 1.722 -13.962 1.00 14.02 H new ATOM 981 N LYS A 65 8.152 3.908 -7.989 1.00 54.30 N ATOM 982 CA LYS A 65 6.704 3.858 -7.750 1.00 52.22 C ATOM 983 C LYS A 65 6.373 3.187 -6.408 1.00 15.43 C ATOM 984 O LYS A 65 7.165 2.402 -5.880 1.00 52.03 O ATOM 985 CB LYS A 65 6.000 3.138 -8.910 1.00 3.34 C ATOM 986 CG LYS A 65 6.556 1.747 -9.215 1.00 5.14 C ATOM 987 CD LYS A 65 5.979 1.176 -10.512 1.00 23.14 C ATOM 988 CE LYS A 65 6.290 2.069 -11.710 1.00 2.41 C ATOM 989 NZ LYS A 65 5.745 1.516 -12.976 1.00 23.24 N ATOM 0 H LYS A 65 8.687 3.207 -7.476 1.00 54.30 H new ATOM 0 HA LYS A 65 6.337 4.883 -7.698 1.00 52.22 H new ATOM 0 HB2 LYS A 65 4.939 3.050 -8.677 1.00 3.34 H new ATOM 0 HB3 LYS A 65 6.080 3.753 -9.806 1.00 3.34 H new ATOM 0 HG2 LYS A 65 7.642 1.799 -9.292 1.00 5.14 H new ATOM 0 HG3 LYS A 65 6.327 1.075 -8.388 1.00 5.14 H new ATOM 0 HD2 LYS A 65 6.388 0.180 -10.685 1.00 23.14 H new ATOM 0 HD3 LYS A 65 4.899 1.065 -10.412 1.00 23.14 H new ATOM 0 HE2 LYS A 65 5.873 3.062 -11.539 1.00 2.41 H new ATOM 0 HE3 LYS A 65 7.370 2.188 -11.802 1.00 2.41 H new ATOM 0 HZ1 LYS A 65 5.979 2.154 -13.763 1.00 23.24 H new ATOM 0 HZ2 LYS A 65 6.162 0.580 -13.154 1.00 23.24 H new ATOM 0 HZ3 LYS A 65 4.712 1.426 -12.899 1.00 23.24 H new ATOM 1003 N LEU A 66 5.195 3.505 -5.869 1.00 65.44 N ATOM 1004 CA LEU A 66 4.774 3.017 -4.545 1.00 15.23 C ATOM 1005 C LEU A 66 4.750 1.480 -4.466 1.00 31.23 C ATOM 1006 O LEU A 66 5.125 0.900 -3.446 1.00 63.45 O ATOM 1007 CB LEU A 66 3.386 3.579 -4.194 1.00 70.34 C ATOM 1008 CG LEU A 66 2.840 3.192 -2.805 1.00 2.24 C ATOM 1009 CD1 LEU A 66 3.738 3.733 -1.693 1.00 13.51 C ATOM 1010 CD2 LEU A 66 1.403 3.683 -2.631 1.00 33.14 C ATOM 0 H LEU A 66 4.508 4.102 -6.329 1.00 65.44 H new ATOM 0 HA LEU A 66 5.511 3.369 -3.823 1.00 15.23 H new ATOM 0 HB2 LEU A 66 3.428 4.666 -4.258 1.00 70.34 H new ATOM 0 HB3 LEU A 66 2.676 3.243 -4.950 1.00 70.34 H new ATOM 0 HG LEU A 66 2.838 2.104 -2.735 1.00 2.24 H new ATOM 0 HD11 LEU A 66 3.330 3.446 -0.724 1.00 13.51 H new ATOM 0 HD12 LEU A 66 4.741 3.320 -1.802 1.00 13.51 H new ATOM 0 HD13 LEU A 66 3.785 4.820 -1.759 1.00 13.51 H new ATOM 0 HD21 LEU A 66 1.038 3.399 -1.644 1.00 33.14 H new ATOM 0 HD22 LEU A 66 1.375 4.768 -2.730 1.00 33.14 H new ATOM 0 HD23 LEU A 66 0.770 3.233 -3.395 1.00 33.14 H new ATOM 1022 N SER A 67 4.312 0.829 -5.543 1.00 3.50 N ATOM 1023 CA SER A 67 4.217 -0.639 -5.578 1.00 44.24 C ATOM 1024 C SER A 67 5.550 -1.307 -5.214 1.00 2.21 C ATOM 1025 O SER A 67 5.591 -2.219 -4.383 1.00 43.35 O ATOM 1026 CB SER A 67 3.769 -1.115 -6.966 1.00 62.02 C ATOM 1027 OG SER A 67 4.693 -0.724 -7.972 1.00 25.14 O ATOM 0 H SER A 67 4.017 1.289 -6.404 1.00 3.50 H new ATOM 0 HA SER A 67 3.476 -0.930 -4.834 1.00 44.24 H new ATOM 0 HB2 SER A 67 3.668 -2.200 -6.965 1.00 62.02 H new ATOM 0 HB3 SER A 67 2.786 -0.703 -7.193 1.00 62.02 H new ATOM 0 HG SER A 67 4.381 -1.043 -8.845 1.00 25.14 H new ATOM 1033 N ASP A 68 6.635 -0.843 -5.836 1.00 63.34 N ATOM 1034 CA ASP A 68 7.973 -1.382 -5.570 1.00 60.15 C ATOM 1035 C ASP A 68 8.403 -1.125 -4.117 1.00 30.55 C ATOM 1036 O ASP A 68 8.967 -2.001 -3.459 1.00 44.02 O ATOM 1037 CB ASP A 68 8.991 -0.773 -6.541 1.00 1.11 C ATOM 1038 CG ASP A 68 10.346 -1.458 -6.463 1.00 4.14 C ATOM 1039 OD1 ASP A 68 10.410 -2.679 -6.718 1.00 72.45 O ATOM 1040 OD2 ASP A 68 11.353 -0.778 -6.174 1.00 60.40 O ATOM 0 H ASP A 68 6.615 -0.094 -6.528 1.00 63.34 H new ATOM 0 HA ASP A 68 7.936 -2.461 -5.721 1.00 60.15 H new ATOM 0 HB2 ASP A 68 8.608 -0.846 -7.559 1.00 1.11 H new ATOM 0 HB3 ASP A 68 9.110 0.288 -6.321 1.00 1.11 H new ATOM 1045 N LEU A 69 8.125 0.080 -3.620 1.00 44.31 N ATOM 1046 CA LEU A 69 8.422 0.438 -2.227 1.00 14.31 C ATOM 1047 C LEU A 69 7.790 -0.559 -1.244 1.00 4.40 C ATOM 1048 O LEU A 69 8.473 -1.130 -0.391 1.00 41.43 O ATOM 1049 CB LEU A 69 7.912 1.855 -1.920 1.00 4.42 C ATOM 1050 CG LEU A 69 8.008 2.282 -0.443 1.00 72.11 C ATOM 1051 CD1 LEU A 69 9.461 2.324 0.022 1.00 71.00 C ATOM 1052 CD2 LEU A 69 7.327 3.631 -0.225 1.00 54.22 C ATOM 0 H LEU A 69 7.693 0.829 -4.161 1.00 44.31 H new ATOM 0 HA LEU A 69 9.504 0.405 -2.102 1.00 14.31 H new ATOM 0 HB2 LEU A 69 8.476 2.566 -2.524 1.00 4.42 H new ATOM 0 HB3 LEU A 69 6.871 1.925 -2.235 1.00 4.42 H new ATOM 0 HG LEU A 69 7.487 1.537 0.158 1.00 72.11 H new ATOM 0 HD11 LEU A 69 9.500 2.628 1.068 1.00 71.00 H new ATOM 0 HD12 LEU A 69 9.906 1.335 -0.085 1.00 71.00 H new ATOM 0 HD13 LEU A 69 10.017 3.039 -0.585 1.00 71.00 H new ATOM 0 HD21 LEU A 69 7.407 3.913 0.825 1.00 54.22 H new ATOM 0 HD22 LEU A 69 7.812 4.387 -0.842 1.00 54.22 H new ATOM 0 HD23 LEU A 69 6.275 3.557 -0.502 1.00 54.22 H new ATOM 1064 N VAL A 70 6.483 -0.763 -1.379 1.00 43.04 N ATOM 1065 CA VAL A 70 5.741 -1.650 -0.480 1.00 43.22 C ATOM 1066 C VAL A 70 6.253 -3.099 -0.545 1.00 64.42 C ATOM 1067 O VAL A 70 6.547 -3.707 0.487 1.00 10.15 O ATOM 1068 CB VAL A 70 4.228 -1.635 -0.801 1.00 51.12 C ATOM 1069 CG1 VAL A 70 3.461 -2.531 0.167 1.00 33.03 C ATOM 1070 CG2 VAL A 70 3.684 -0.210 -0.764 1.00 0.24 C ATOM 0 H VAL A 70 5.912 -0.326 -2.103 1.00 43.04 H new ATOM 0 HA VAL A 70 5.903 -1.269 0.528 1.00 43.22 H new ATOM 0 HB VAL A 70 4.090 -2.027 -1.809 1.00 51.12 H new ATOM 0 HG11 VAL A 70 2.399 -2.505 -0.077 1.00 33.03 H new ATOM 0 HG12 VAL A 70 3.828 -3.554 0.084 1.00 33.03 H new ATOM 0 HG13 VAL A 70 3.608 -2.175 1.187 1.00 33.03 H new ATOM 0 HG21 VAL A 70 2.618 -0.221 -0.992 1.00 0.24 H new ATOM 0 HG22 VAL A 70 3.838 0.212 0.229 1.00 0.24 H new ATOM 0 HG23 VAL A 70 4.207 0.398 -1.502 1.00 0.24 H new ATOM 1080 N LYS A 71 6.372 -3.648 -1.758 1.00 2.51 N ATOM 1081 CA LYS A 71 6.804 -5.045 -1.931 1.00 21.35 C ATOM 1082 C LYS A 71 8.259 -5.259 -1.477 1.00 74.21 C ATOM 1083 O LYS A 71 8.654 -6.379 -1.146 1.00 24.11 O ATOM 1084 CB LYS A 71 6.633 -5.493 -3.395 1.00 42.21 C ATOM 1085 CG LYS A 71 7.493 -4.716 -4.387 1.00 72.25 C ATOM 1086 CD LYS A 71 7.241 -5.147 -5.830 1.00 43.13 C ATOM 1087 CE LYS A 71 7.647 -6.599 -6.075 1.00 45.45 C ATOM 1088 NZ LYS A 71 9.101 -6.819 -5.847 1.00 42.11 N ATOM 0 H LYS A 71 6.178 -3.155 -2.629 1.00 2.51 H new ATOM 0 HA LYS A 71 6.165 -5.658 -1.296 1.00 21.35 H new ATOM 0 HB2 LYS A 71 6.877 -6.553 -3.471 1.00 42.21 H new ATOM 0 HB3 LYS A 71 5.585 -5.386 -3.677 1.00 42.21 H new ATOM 0 HG2 LYS A 71 7.287 -3.650 -4.287 1.00 72.25 H new ATOM 0 HG3 LYS A 71 8.546 -4.862 -4.145 1.00 72.25 H new ATOM 0 HD2 LYS A 71 6.184 -5.022 -6.066 1.00 43.13 H new ATOM 0 HD3 LYS A 71 7.798 -4.497 -6.505 1.00 43.13 H new ATOM 0 HE2 LYS A 71 7.074 -7.251 -5.416 1.00 45.45 H new ATOM 0 HE3 LYS A 71 7.394 -6.878 -7.098 1.00 45.45 H new ATOM 0 HZ1 LYS A 71 9.373 -7.753 -6.215 1.00 42.11 H new ATOM 0 HZ2 LYS A 71 9.645 -6.081 -6.339 1.00 42.11 H new ATOM 0 HZ3 LYS A 71 9.303 -6.777 -4.828 1.00 42.11 H new ATOM 1102 N ALA A 72 9.053 -4.189 -1.477 1.00 21.52 N ATOM 1103 CA ALA A 72 10.439 -4.254 -1.002 1.00 33.44 C ATOM 1104 C ALA A 72 10.516 -4.218 0.534 1.00 14.11 C ATOM 1105 O ALA A 72 11.439 -4.771 1.134 1.00 21.03 O ATOM 1106 CB ALA A 72 11.254 -3.109 -1.597 1.00 70.30 C ATOM 0 H ALA A 72 8.763 -3.266 -1.800 1.00 21.52 H new ATOM 0 HA ALA A 72 10.858 -5.204 -1.333 1.00 33.44 H new ATOM 0 HB1 ALA A 72 12.281 -3.168 -1.237 1.00 70.30 H new ATOM 0 HB2 ALA A 72 11.246 -3.183 -2.684 1.00 70.30 H new ATOM 0 HB3 ALA A 72 10.818 -2.157 -1.295 1.00 70.30 H new ATOM 1112 N ARG A 73 9.539 -3.568 1.166 1.00 64.14 N ATOM 1113 CA ARG A 73 9.533 -3.403 2.627 1.00 41.25 C ATOM 1114 C ARG A 73 8.574 -4.392 3.314 1.00 10.33 C ATOM 1115 O ARG A 73 7.679 -3.997 4.065 1.00 14.32 O ATOM 1116 CB ARG A 73 9.170 -1.951 2.984 1.00 72.41 C ATOM 1117 CG ARG A 73 10.151 -0.929 2.415 1.00 32.53 C ATOM 1118 CD ARG A 73 11.563 -1.136 2.960 1.00 35.34 C ATOM 1119 NE ARG A 73 12.574 -0.420 2.184 1.00 51.01 N ATOM 1120 CZ ARG A 73 13.844 -0.389 2.494 1.00 50.15 C ATOM 1121 NH1 ARG A 73 14.266 -0.935 3.589 1.00 52.43 N ATOM 1122 NH2 ARG A 73 14.689 0.192 1.706 1.00 15.30 N ATOM 0 H ARG A 73 8.740 -3.146 0.693 1.00 64.14 H new ATOM 0 HA ARG A 73 10.534 -3.624 2.996 1.00 41.25 H new ATOM 0 HB2 ARG A 73 8.169 -1.731 2.611 1.00 72.41 H new ATOM 0 HB3 ARG A 73 9.136 -1.848 4.069 1.00 72.41 H new ATOM 0 HG2 ARG A 73 10.166 -1.005 1.328 1.00 32.53 H new ATOM 0 HG3 ARG A 73 9.811 0.077 2.659 1.00 32.53 H new ATOM 0 HD2 ARG A 73 11.601 -0.801 3.997 1.00 35.34 H new ATOM 0 HD3 ARG A 73 11.796 -2.201 2.960 1.00 35.34 H new ATOM 0 HE ARG A 73 12.271 0.085 1.351 1.00 51.01 H new ATOM 0 HH11 ARG A 73 13.606 -1.394 4.217 1.00 52.43 H new ATOM 0 HH12 ARG A 73 15.258 -0.907 3.824 1.00 52.43 H new ATOM 0 HH21 ARG A 73 14.365 0.627 0.842 1.00 15.30 H new ATOM 0 HH22 ARG A 73 15.679 0.216 1.949 1.00 15.30 H new ATOM 1136 N THR A 74 8.806 -5.686 3.083 1.00 44.23 N ATOM 1137 CA THR A 74 7.987 -6.759 3.677 1.00 74.52 C ATOM 1138 C THR A 74 8.010 -6.725 5.213 1.00 55.34 C ATOM 1139 O THR A 74 7.062 -7.161 5.868 1.00 20.24 O ATOM 1140 CB THR A 74 8.465 -8.153 3.212 1.00 44.22 C ATOM 1141 OG1 THR A 74 9.854 -8.322 3.526 1.00 40.12 O ATOM 1142 CG2 THR A 74 8.253 -8.336 1.711 1.00 32.44 C ATOM 0 H THR A 74 9.560 -6.024 2.484 1.00 44.23 H new ATOM 0 HA THR A 74 6.968 -6.582 3.334 1.00 74.52 H new ATOM 0 HB THR A 74 7.876 -8.905 3.736 1.00 44.22 H new ATOM 0 HG1 THR A 74 10.151 -9.208 3.230 1.00 40.12 H new ATOM 0 HG21 THR A 74 8.599 -9.326 1.413 1.00 32.44 H new ATOM 0 HG22 THR A 74 7.193 -8.236 1.478 1.00 32.44 H new ATOM 0 HG23 THR A 74 8.816 -7.576 1.169 1.00 32.44 H new ATOM 1150 N ASP A 75 9.106 -6.216 5.775 1.00 54.13 N ATOM 1151 CA ASP A 75 9.239 -6.023 7.227 1.00 74.04 C ATOM 1152 C ASP A 75 8.067 -5.193 7.793 1.00 53.40 C ATOM 1153 O ASP A 75 7.634 -5.386 8.935 1.00 54.13 O ATOM 1154 CB ASP A 75 10.577 -5.328 7.511 1.00 1.44 C ATOM 1155 CG ASP A 75 10.815 -5.057 8.987 1.00 32.50 C ATOM 1156 OD1 ASP A 75 11.052 -6.020 9.746 1.00 71.23 O ATOM 1157 OD2 ASP A 75 10.799 -3.873 9.389 1.00 11.24 O ATOM 0 H ASP A 75 9.926 -5.925 5.243 1.00 54.13 H new ATOM 0 HA ASP A 75 9.214 -6.995 7.720 1.00 74.04 H new ATOM 0 HB2 ASP A 75 11.388 -5.947 7.127 1.00 1.44 H new ATOM 0 HB3 ASP A 75 10.611 -4.385 6.966 1.00 1.44 H new ATOM 1162 N LEU A 76 7.556 -4.277 6.977 1.00 54.33 N ATOM 1163 CA LEU A 76 6.440 -3.414 7.372 1.00 52.24 C ATOM 1164 C LEU A 76 5.109 -3.901 6.770 1.00 3.40 C ATOM 1165 O LEU A 76 4.088 -3.968 7.459 1.00 10.52 O ATOM 1166 CB LEU A 76 6.714 -1.970 6.919 1.00 54.22 C ATOM 1167 CG LEU A 76 7.976 -1.315 7.510 1.00 73.42 C ATOM 1168 CD1 LEU A 76 8.238 0.042 6.857 1.00 33.21 C ATOM 1169 CD2 LEU A 76 7.847 -1.173 9.028 1.00 2.54 C ATOM 0 H LEU A 76 7.898 -4.110 6.031 1.00 54.33 H new ATOM 0 HA LEU A 76 6.354 -3.452 8.458 1.00 52.24 H new ATOM 0 HB2 LEU A 76 6.796 -1.959 5.832 1.00 54.22 H new ATOM 0 HB3 LEU A 76 5.852 -1.357 7.180 1.00 54.22 H new ATOM 0 HG LEU A 76 8.828 -1.961 7.299 1.00 73.42 H new ATOM 0 HD11 LEU A 76 9.134 0.487 7.290 1.00 33.21 H new ATOM 0 HD12 LEU A 76 8.381 -0.092 5.785 1.00 33.21 H new ATOM 0 HD13 LEU A 76 7.386 0.700 7.031 1.00 33.21 H new ATOM 0 HD21 LEU A 76 8.748 -0.708 9.428 1.00 2.54 H new ATOM 0 HD22 LEU A 76 6.983 -0.551 9.263 1.00 2.54 H new ATOM 0 HD23 LEU A 76 7.718 -2.158 9.476 1.00 2.54 H new ATOM 1181 N PHE A 77 5.131 -4.248 5.481 1.00 62.53 N ATOM 1182 CA PHE A 77 3.901 -4.565 4.742 1.00 2.12 C ATOM 1183 C PHE A 77 3.942 -5.970 4.117 1.00 33.33 C ATOM 1184 O PHE A 77 4.911 -6.345 3.457 1.00 55.24 O ATOM 1185 CB PHE A 77 3.689 -3.528 3.630 1.00 1.03 C ATOM 1186 CG PHE A 77 3.826 -2.100 4.101 1.00 14.12 C ATOM 1187 CD1 PHE A 77 2.995 -1.597 5.090 1.00 20.42 C ATOM 1188 CD2 PHE A 77 4.796 -1.264 3.557 1.00 62.30 C ATOM 1189 CE1 PHE A 77 3.129 -0.295 5.528 1.00 23.34 C ATOM 1190 CE2 PHE A 77 4.930 0.039 3.992 1.00 64.33 C ATOM 1191 CZ PHE A 77 4.098 0.523 4.978 1.00 60.35 C ATOM 0 H PHE A 77 5.984 -4.317 4.926 1.00 62.53 H new ATOM 0 HA PHE A 77 3.077 -4.540 5.455 1.00 2.12 H new ATOM 0 HB2 PHE A 77 4.410 -3.710 2.833 1.00 1.03 H new ATOM 0 HB3 PHE A 77 2.697 -3.666 3.200 1.00 1.03 H new ATOM 0 HD1 PHE A 77 2.235 -2.231 5.522 1.00 20.42 H new ATOM 0 HD2 PHE A 77 5.452 -1.639 2.785 1.00 62.30 H new ATOM 0 HE1 PHE A 77 2.477 0.085 6.301 1.00 23.34 H new ATOM 0 HE2 PHE A 77 5.686 0.678 3.560 1.00 64.33 H new ATOM 0 HZ PHE A 77 4.203 1.542 5.321 1.00 60.35 H new ATOM 1201 N VAL A 78 2.874 -6.736 4.323 1.00 64.52 N ATOM 1202 CA VAL A 78 2.707 -8.036 3.661 1.00 54.01 C ATOM 1203 C VAL A 78 2.030 -7.849 2.298 1.00 2.23 C ATOM 1204 O VAL A 78 0.971 -7.225 2.206 1.00 13.21 O ATOM 1205 CB VAL A 78 1.847 -9.000 4.514 1.00 74.03 C ATOM 1206 CG1 VAL A 78 1.744 -10.375 3.857 1.00 1.51 C ATOM 1207 CG2 VAL A 78 2.397 -9.113 5.931 1.00 13.11 C ATOM 0 H VAL A 78 2.106 -6.482 4.945 1.00 64.52 H new ATOM 0 HA VAL A 78 3.700 -8.468 3.534 1.00 54.01 H new ATOM 0 HB VAL A 78 0.842 -8.584 4.575 1.00 74.03 H new ATOM 0 HG11 VAL A 78 1.134 -11.031 4.479 1.00 1.51 H new ATOM 0 HG12 VAL A 78 1.283 -10.275 2.874 1.00 1.51 H new ATOM 0 HG13 VAL A 78 2.741 -10.802 3.749 1.00 1.51 H new ATOM 0 HG21 VAL A 78 1.775 -9.796 6.509 1.00 13.11 H new ATOM 0 HG22 VAL A 78 3.418 -9.494 5.896 1.00 13.11 H new ATOM 0 HG23 VAL A 78 2.392 -8.130 6.403 1.00 13.11 H new ATOM 1217 N THR A 79 2.636 -8.392 1.244 1.00 54.22 N ATOM 1218 CA THR A 79 2.148 -8.170 -0.125 1.00 1.25 C ATOM 1219 C THR A 79 1.714 -9.470 -0.818 1.00 41.12 C ATOM 1220 O THR A 79 2.453 -10.456 -0.833 1.00 62.32 O ATOM 1221 CB THR A 79 3.236 -7.494 -0.996 1.00 0.12 C ATOM 1222 OG1 THR A 79 4.386 -8.349 -1.112 1.00 40.25 O ATOM 1223 CG2 THR A 79 3.662 -6.158 -0.401 1.00 13.04 C ATOM 0 H THR A 79 3.462 -8.987 1.306 1.00 54.22 H new ATOM 0 HA THR A 79 1.278 -7.521 -0.030 1.00 1.25 H new ATOM 0 HB THR A 79 2.809 -7.320 -1.984 1.00 0.12 H new ATOM 0 HG1 THR A 79 4.102 -9.286 -1.071 1.00 40.25 H new ATOM 0 HG21 THR A 79 4.426 -5.706 -1.033 1.00 13.04 H new ATOM 0 HG22 THR A 79 2.800 -5.494 -0.343 1.00 13.04 H new ATOM 0 HG23 THR A 79 4.065 -6.317 0.599 1.00 13.04 H new ATOM 1231 N GLU A 80 0.509 -9.453 -1.393 1.00 31.54 N ATOM 1232 CA GLU A 80 0.013 -10.547 -2.247 1.00 62.51 C ATOM 1233 C GLU A 80 -0.924 -10.005 -3.339 1.00 61.01 C ATOM 1234 O GLU A 80 -1.835 -9.223 -3.063 1.00 54.03 O ATOM 1235 CB GLU A 80 -0.726 -11.628 -1.431 1.00 23.24 C ATOM 1236 CG GLU A 80 0.180 -12.485 -0.548 1.00 14.10 C ATOM 1237 CD GLU A 80 -0.542 -13.683 0.056 1.00 71.01 C ATOM 1238 OE1 GLU A 80 -1.049 -14.529 -0.714 1.00 21.50 O ATOM 1239 OE2 GLU A 80 -0.592 -13.801 1.299 1.00 75.54 O ATOM 0 H GLU A 80 -0.153 -8.685 -1.283 1.00 31.54 H new ATOM 0 HA GLU A 80 0.887 -11.005 -2.710 1.00 62.51 H new ATOM 0 HB2 GLU A 80 -1.472 -11.143 -0.802 1.00 23.24 H new ATOM 0 HB3 GLU A 80 -1.264 -12.280 -2.119 1.00 23.24 H new ATOM 0 HG2 GLU A 80 1.026 -12.837 -1.138 1.00 14.10 H new ATOM 0 HG3 GLU A 80 0.585 -11.869 0.255 1.00 14.10 H new ATOM 1246 N GLU A 81 -0.700 -10.429 -4.581 1.00 72.12 N ATOM 1247 CA GLU A 81 -1.524 -9.987 -5.714 1.00 54.43 C ATOM 1248 C GLU A 81 -2.747 -10.898 -5.899 1.00 73.32 C ATOM 1249 O GLU A 81 -2.609 -12.108 -6.083 1.00 63.11 O ATOM 1250 CB GLU A 81 -0.691 -9.976 -7.003 1.00 63.13 C ATOM 1251 CG GLU A 81 0.570 -9.123 -6.923 1.00 24.13 C ATOM 1252 CD GLU A 81 1.399 -9.187 -8.197 1.00 75.23 C ATOM 1253 OE1 GLU A 81 2.062 -10.220 -8.428 1.00 52.10 O ATOM 1254 OE2 GLU A 81 1.390 -8.211 -8.973 1.00 14.10 O ATOM 0 H GLU A 81 0.045 -11.079 -4.833 1.00 72.12 H new ATOM 0 HA GLU A 81 -1.874 -8.977 -5.499 1.00 54.43 H new ATOM 0 HB2 GLU A 81 -0.409 -11.000 -7.249 1.00 63.13 H new ATOM 0 HB3 GLU A 81 -1.312 -9.611 -7.821 1.00 63.13 H new ATOM 0 HG2 GLU A 81 0.292 -8.088 -6.726 1.00 24.13 H new ATOM 0 HG3 GLU A 81 1.177 -9.456 -6.081 1.00 24.13 H new ATOM 1261 N ARG A 82 -3.945 -10.316 -5.861 1.00 60.24 N ATOM 1262 CA ARG A 82 -5.187 -11.087 -6.018 1.00 33.24 C ATOM 1263 C ARG A 82 -5.947 -10.641 -7.275 1.00 70.42 C ATOM 1264 O ARG A 82 -5.913 -9.468 -7.647 1.00 45.44 O ATOM 1265 CB ARG A 82 -6.083 -10.924 -4.779 1.00 74.52 C ATOM 1266 CG ARG A 82 -5.363 -11.165 -3.450 1.00 34.21 C ATOM 1267 CD ARG A 82 -4.727 -12.553 -3.374 1.00 65.44 C ATOM 1268 NE ARG A 82 -5.717 -13.627 -3.445 1.00 4.43 N ATOM 1269 CZ ARG A 82 -5.789 -14.613 -2.593 1.00 14.12 C ATOM 1270 NH1 ARG A 82 -4.958 -14.686 -1.604 1.00 21.21 N ATOM 1271 NH2 ARG A 82 -6.687 -15.532 -2.732 1.00 54.35 N ATOM 0 H ARG A 82 -4.086 -9.315 -5.723 1.00 60.24 H new ATOM 0 HA ARG A 82 -4.921 -12.139 -6.125 1.00 33.24 H new ATOM 0 HB2 ARG A 82 -6.501 -9.917 -4.776 1.00 74.52 H new ATOM 0 HB3 ARG A 82 -6.921 -11.617 -4.857 1.00 74.52 H new ATOM 0 HG2 ARG A 82 -4.591 -10.407 -3.316 1.00 34.21 H new ATOM 0 HG3 ARG A 82 -6.071 -11.048 -2.630 1.00 34.21 H new ATOM 0 HD2 ARG A 82 -4.013 -12.667 -4.189 1.00 65.44 H new ATOM 0 HD3 ARG A 82 -4.166 -12.642 -2.444 1.00 65.44 H new ATOM 0 HE ARG A 82 -6.393 -13.604 -4.208 1.00 4.43 H new ATOM 0 HH11 ARG A 82 -4.241 -13.970 -1.486 1.00 21.21 H new ATOM 0 HH12 ARG A 82 -5.020 -15.459 -0.942 1.00 21.21 H new ATOM 0 HH21 ARG A 82 -7.344 -15.489 -3.511 1.00 54.35 H new ATOM 0 HH22 ARG A 82 -6.738 -16.300 -2.063 1.00 54.35 H new ATOM 1285 N GLN A 83 -6.637 -11.575 -7.923 1.00 43.15 N ATOM 1286 CA GLN A 83 -7.351 -11.278 -9.172 1.00 51.44 C ATOM 1287 C GLN A 83 -8.700 -10.591 -8.900 1.00 73.22 C ATOM 1288 O GLN A 83 -9.436 -10.978 -7.988 1.00 14.03 O ATOM 1289 CB GLN A 83 -7.565 -12.562 -9.977 1.00 43.30 C ATOM 1290 CG GLN A 83 -8.093 -12.327 -11.392 1.00 43.43 C ATOM 1291 CD GLN A 83 -8.277 -13.616 -12.173 1.00 35.15 C ATOM 1292 OE1 GLN A 83 -7.588 -14.606 -11.938 1.00 4.01 O ATOM 1293 NE2 GLN A 83 -9.200 -13.619 -13.112 1.00 34.34 N ATOM 0 H GLN A 83 -6.720 -12.542 -7.610 1.00 43.15 H new ATOM 0 HA GLN A 83 -6.736 -10.590 -9.752 1.00 51.44 H new ATOM 0 HB2 GLN A 83 -6.620 -13.102 -10.038 1.00 43.30 H new ATOM 0 HB3 GLN A 83 -8.265 -13.203 -9.441 1.00 43.30 H new ATOM 0 HG2 GLN A 83 -9.047 -11.802 -11.337 1.00 43.43 H new ATOM 0 HG3 GLN A 83 -7.402 -11.677 -11.929 1.00 43.43 H new ATOM 0 HE21 GLN A 83 -9.756 -12.781 -13.283 1.00 34.34 H new ATOM 0 HE22 GLN A 83 -9.359 -14.459 -13.668 1.00 34.34 H new ATOM 1302 N VAL A 84 -9.018 -9.577 -9.704 1.00 53.30 N ATOM 1303 CA VAL A 84 -10.249 -8.798 -9.526 1.00 5.30 C ATOM 1304 C VAL A 84 -11.424 -9.421 -10.312 1.00 51.42 C ATOM 1305 O VAL A 84 -11.361 -9.553 -11.538 1.00 23.41 O ATOM 1306 CB VAL A 84 -10.041 -7.329 -9.981 1.00 62.13 C ATOM 1307 CG1 VAL A 84 -11.256 -6.470 -9.637 1.00 41.04 C ATOM 1308 CG2 VAL A 84 -8.771 -6.745 -9.361 1.00 3.11 C ATOM 0 H VAL A 84 -8.440 -9.273 -10.488 1.00 53.30 H new ATOM 0 HA VAL A 84 -10.493 -8.812 -8.464 1.00 5.30 H new ATOM 0 HB VAL A 84 -9.925 -7.326 -11.065 1.00 62.13 H new ATOM 0 HG11 VAL A 84 -11.083 -5.446 -9.967 1.00 41.04 H new ATOM 0 HG12 VAL A 84 -12.137 -6.869 -10.139 1.00 41.04 H new ATOM 0 HG13 VAL A 84 -11.416 -6.481 -8.559 1.00 41.04 H new ATOM 0 HG21 VAL A 84 -8.645 -5.715 -9.693 1.00 3.11 H new ATOM 0 HG22 VAL A 84 -8.853 -6.768 -8.274 1.00 3.11 H new ATOM 0 HG23 VAL A 84 -7.909 -7.335 -9.673 1.00 3.11 H new ATOM 1318 N PRO A 85 -12.517 -9.807 -9.616 1.00 70.42 N ATOM 1319 CA PRO A 85 -13.680 -10.464 -10.251 1.00 32.53 C ATOM 1320 C PRO A 85 -14.352 -9.588 -11.326 1.00 5.54 C ATOM 1321 O PRO A 85 -14.803 -8.473 -11.051 1.00 3.11 O ATOM 1322 CB PRO A 85 -14.641 -10.719 -9.075 1.00 50.15 C ATOM 1323 CG PRO A 85 -14.206 -9.771 -8.007 1.00 13.21 C ATOM 1324 CD PRO A 85 -12.715 -9.635 -8.166 1.00 2.42 C ATOM 0 HA PRO A 85 -13.387 -11.370 -10.781 1.00 32.53 H new ATOM 0 HB2 PRO A 85 -15.676 -10.539 -9.365 1.00 50.15 H new ATOM 0 HB3 PRO A 85 -14.581 -11.752 -8.734 1.00 50.15 H new ATOM 0 HG2 PRO A 85 -14.701 -8.806 -8.115 1.00 13.21 H new ATOM 0 HG3 PRO A 85 -14.461 -10.151 -7.018 1.00 13.21 H new ATOM 0 HD2 PRO A 85 -12.360 -8.663 -7.823 1.00 2.42 H new ATOM 0 HD3 PRO A 85 -12.178 -10.391 -7.593 1.00 2.42 H new ATOM 1332 N GLY A 86 -14.431 -10.112 -12.548 1.00 33.33 N ATOM 1333 CA GLY A 86 -14.970 -9.347 -13.672 1.00 15.02 C ATOM 1334 C GLY A 86 -13.877 -8.704 -14.519 1.00 12.03 C ATOM 1335 O GLY A 86 -14.148 -8.139 -15.584 1.00 2.30 O ATOM 0 H GLY A 86 -14.131 -11.058 -12.785 1.00 33.33 H new ATOM 0 HA2 GLY A 86 -15.572 -10.005 -14.299 1.00 15.02 H new ATOM 0 HA3 GLY A 86 -15.635 -8.571 -13.293 1.00 15.02 H new ATOM 1339 N SER A 87 -12.638 -8.784 -14.039 1.00 62.44 N ATOM 1340 CA SER A 87 -11.474 -8.246 -14.755 1.00 33.03 C ATOM 1341 C SER A 87 -10.423 -9.337 -14.988 1.00 60.51 C ATOM 1342 O SER A 87 -10.312 -10.286 -14.210 1.00 51.40 O ATOM 1343 CB SER A 87 -10.847 -7.082 -13.971 1.00 62.20 C ATOM 1344 OG SER A 87 -11.716 -5.959 -13.931 1.00 70.41 O ATOM 0 H SER A 87 -12.409 -9.221 -13.146 1.00 62.44 H new ATOM 0 HA SER A 87 -11.818 -7.879 -15.722 1.00 33.03 H new ATOM 0 HB2 SER A 87 -10.620 -7.405 -12.955 1.00 62.20 H new ATOM 0 HB3 SER A 87 -9.902 -6.797 -14.433 1.00 62.20 H new ATOM 0 HG SER A 87 -11.292 -5.235 -13.425 1.00 70.41 H new ATOM 1350 N THR A 88 -9.658 -9.204 -16.066 1.00 64.50 N ATOM 1351 CA THR A 88 -8.612 -10.186 -16.398 1.00 13.23 C ATOM 1352 C THR A 88 -7.297 -9.879 -15.660 1.00 33.42 C ATOM 1353 O THR A 88 -6.451 -10.757 -15.476 1.00 73.10 O ATOM 1354 CB THR A 88 -8.349 -10.240 -17.928 1.00 12.34 C ATOM 1355 OG1 THR A 88 -7.431 -11.299 -18.246 1.00 32.15 O ATOM 1356 CG2 THR A 88 -7.797 -8.912 -18.450 1.00 62.43 C ATOM 0 H THR A 88 -9.736 -8.432 -16.728 1.00 64.50 H new ATOM 0 HA THR A 88 -8.979 -11.159 -16.071 1.00 13.23 H new ATOM 0 HB THR A 88 -9.305 -10.431 -18.415 1.00 12.34 H new ATOM 0 HG1 THR A 88 -7.278 -11.320 -19.214 1.00 32.15 H new ATOM 0 HG21 THR A 88 -7.625 -8.986 -19.524 1.00 62.43 H new ATOM 0 HG22 THR A 88 -8.515 -8.116 -18.252 1.00 62.43 H new ATOM 0 HG23 THR A 88 -6.857 -8.686 -17.947 1.00 62.43 H new ATOM 1364 N GLN A 89 -7.142 -8.627 -15.225 1.00 42.05 N ATOM 1365 CA GLN A 89 -5.932 -8.190 -14.516 1.00 11.31 C ATOM 1366 C GLN A 89 -6.032 -8.432 -12.997 1.00 51.35 C ATOM 1367 O GLN A 89 -7.125 -8.576 -12.443 1.00 61.13 O ATOM 1368 CB GLN A 89 -5.670 -6.698 -14.781 1.00 41.34 C ATOM 1369 CG GLN A 89 -6.728 -5.766 -14.193 1.00 61.31 C ATOM 1370 CD GLN A 89 -6.390 -4.298 -14.392 1.00 21.25 C ATOM 1371 OE1 GLN A 89 -5.726 -3.681 -13.563 1.00 62.21 O ATOM 1372 NE2 GLN A 89 -6.847 -3.727 -15.488 1.00 53.13 N ATOM 0 H GLN A 89 -7.840 -7.894 -15.351 1.00 42.05 H new ATOM 0 HA GLN A 89 -5.103 -8.785 -14.898 1.00 11.31 H new ATOM 0 HB2 GLN A 89 -4.697 -6.432 -14.368 1.00 41.34 H new ATOM 0 HB3 GLN A 89 -5.615 -6.535 -15.857 1.00 41.34 H new ATOM 0 HG2 GLN A 89 -7.692 -5.979 -14.656 1.00 61.31 H new ATOM 0 HG3 GLN A 89 -6.834 -5.969 -13.127 1.00 61.31 H new ATOM 0 HE21 GLN A 89 -7.395 -4.270 -16.155 1.00 53.13 H new ATOM 0 HE22 GLN A 89 -6.652 -2.742 -15.669 1.00 53.13 H new ATOM 1381 N LYS A 90 -4.877 -8.471 -12.329 1.00 33.31 N ATOM 1382 CA LYS A 90 -4.823 -8.642 -10.872 1.00 75.43 C ATOM 1383 C LYS A 90 -4.358 -7.352 -10.172 1.00 3.30 C ATOM 1384 O LYS A 90 -3.710 -6.496 -10.779 1.00 35.45 O ATOM 1385 CB LYS A 90 -3.892 -9.810 -10.504 1.00 73.23 C ATOM 1386 CG LYS A 90 -2.461 -9.655 -11.019 1.00 65.43 C ATOM 1387 CD LYS A 90 -1.552 -10.777 -10.521 1.00 20.44 C ATOM 1388 CE LYS A 90 -2.032 -12.152 -10.972 1.00 72.22 C ATOM 1389 NZ LYS A 90 -1.197 -13.246 -10.402 1.00 22.33 N ATOM 0 H LYS A 90 -3.963 -8.386 -12.774 1.00 33.31 H new ATOM 0 HA LYS A 90 -5.832 -8.868 -10.526 1.00 75.43 H new ATOM 0 HB2 LYS A 90 -3.867 -9.912 -9.419 1.00 73.23 H new ATOM 0 HB3 LYS A 90 -4.312 -10.734 -10.902 1.00 73.23 H new ATOM 0 HG2 LYS A 90 -2.466 -9.649 -12.109 1.00 65.43 H new ATOM 0 HG3 LYS A 90 -2.061 -8.694 -10.696 1.00 65.43 H new ATOM 0 HD2 LYS A 90 -0.539 -10.610 -10.886 1.00 20.44 H new ATOM 0 HD3 LYS A 90 -1.507 -10.749 -9.432 1.00 20.44 H new ATOM 0 HE2 LYS A 90 -3.070 -12.292 -10.669 1.00 72.22 H new ATOM 0 HE3 LYS A 90 -2.008 -12.206 -12.060 1.00 72.22 H new ATOM 0 HZ1 LYS A 90 -1.556 -14.165 -10.732 1.00 22.33 H new ATOM 0 HZ2 LYS A 90 -0.211 -13.128 -10.712 1.00 22.33 H new ATOM 0 HZ3 LYS A 90 -1.240 -13.211 -9.364 1.00 22.33 H new ATOM 1403 N ALA A 91 -4.700 -7.222 -8.892 1.00 63.41 N ATOM 1404 CA ALA A 91 -4.311 -6.056 -8.091 1.00 35.54 C ATOM 1405 C ALA A 91 -3.502 -6.476 -6.857 1.00 3.35 C ATOM 1406 O ALA A 91 -3.710 -7.554 -6.298 1.00 14.23 O ATOM 1407 CB ALA A 91 -5.551 -5.273 -7.672 1.00 44.24 C ATOM 0 H ALA A 91 -5.250 -7.913 -8.382 1.00 63.41 H new ATOM 0 HA ALA A 91 -3.677 -5.417 -8.705 1.00 35.54 H new ATOM 0 HB1 ALA A 91 -5.252 -4.409 -7.078 1.00 44.24 H new ATOM 0 HB2 ALA A 91 -6.085 -4.935 -8.560 1.00 44.24 H new ATOM 0 HB3 ALA A 91 -6.203 -5.914 -7.078 1.00 44.24 H new ATOM 1413 N LEU A 92 -2.582 -5.615 -6.437 1.00 41.51 N ATOM 1414 CA LEU A 92 -1.726 -5.893 -5.281 1.00 33.34 C ATOM 1415 C LEU A 92 -2.439 -5.551 -3.962 1.00 55.44 C ATOM 1416 O LEU A 92 -2.719 -4.387 -3.681 1.00 1.13 O ATOM 1417 CB LEU A 92 -0.415 -5.098 -5.397 1.00 24.23 C ATOM 1418 CG LEU A 92 0.575 -5.278 -4.228 1.00 52.35 C ATOM 1419 CD1 LEU A 92 1.155 -6.691 -4.214 1.00 44.01 C ATOM 1420 CD2 LEU A 92 1.691 -4.236 -4.300 1.00 61.14 C ATOM 0 H LEU A 92 -2.406 -4.713 -6.880 1.00 41.51 H new ATOM 0 HA LEU A 92 -1.502 -6.960 -5.273 1.00 33.34 H new ATOM 0 HB2 LEU A 92 0.085 -5.387 -6.321 1.00 24.23 H new ATOM 0 HB3 LEU A 92 -0.659 -4.039 -5.484 1.00 24.23 H new ATOM 0 HG LEU A 92 0.028 -5.130 -3.297 1.00 52.35 H new ATOM 0 HD11 LEU A 92 1.850 -6.791 -3.380 1.00 44.01 H new ATOM 0 HD12 LEU A 92 0.348 -7.415 -4.102 1.00 44.01 H new ATOM 0 HD13 LEU A 92 1.682 -6.877 -5.150 1.00 44.01 H new ATOM 0 HD21 LEU A 92 2.378 -4.381 -3.466 1.00 61.14 H new ATOM 0 HD22 LEU A 92 2.232 -4.347 -5.240 1.00 61.14 H new ATOM 0 HD23 LEU A 92 1.260 -3.236 -4.245 1.00 61.14 H new ATOM 1432 N TYR A 93 -2.739 -6.573 -3.162 1.00 13.23 N ATOM 1433 CA TYR A 93 -3.363 -6.376 -1.847 1.00 60.44 C ATOM 1434 C TYR A 93 -2.333 -6.429 -0.713 1.00 43.15 C ATOM 1435 O TYR A 93 -1.391 -7.227 -0.739 1.00 71.32 O ATOM 1436 CB TYR A 93 -4.489 -7.394 -1.617 1.00 41.12 C ATOM 1437 CG TYR A 93 -5.730 -7.106 -2.446 1.00 14.12 C ATOM 1438 CD1 TYR A 93 -5.784 -7.404 -3.804 1.00 30.35 C ATOM 1439 CD2 TYR A 93 -6.844 -6.512 -1.862 1.00 11.33 C ATOM 1440 CE1 TYR A 93 -6.910 -7.115 -4.553 1.00 61.11 C ATOM 1441 CE2 TYR A 93 -7.973 -6.225 -2.602 1.00 54.33 C ATOM 1442 CZ TYR A 93 -8.002 -6.527 -3.947 1.00 74.44 C ATOM 1443 OH TYR A 93 -9.125 -6.226 -4.687 1.00 74.22 O ATOM 0 H TYR A 93 -2.561 -7.549 -3.399 1.00 13.23 H new ATOM 0 HA TYR A 93 -3.799 -5.377 -1.840 1.00 60.44 H new ATOM 0 HB2 TYR A 93 -4.123 -8.392 -1.856 1.00 41.12 H new ATOM 0 HB3 TYR A 93 -4.758 -7.398 -0.561 1.00 41.12 H new ATOM 0 HD1 TYR A 93 -4.933 -7.868 -4.281 1.00 30.35 H new ATOM 0 HD2 TYR A 93 -6.825 -6.271 -0.809 1.00 11.33 H new ATOM 0 HE1 TYR A 93 -6.935 -7.348 -5.607 1.00 61.11 H new ATOM 0 HE2 TYR A 93 -8.829 -5.766 -2.130 1.00 54.33 H new ATOM 0 HH TYR A 93 -9.800 -5.817 -4.106 1.00 74.22 H new ATOM 1453 N LEU A 94 -2.530 -5.568 0.282 1.00 54.30 N ATOM 1454 CA LEU A 94 -1.553 -5.364 1.358 1.00 62.04 C ATOM 1455 C LEU A 94 -2.181 -5.589 2.746 1.00 1.11 C ATOM 1456 O LEU A 94 -3.388 -5.428 2.927 1.00 54.04 O ATOM 1457 CB LEU A 94 -1.014 -3.928 1.280 1.00 61.10 C ATOM 1458 CG LEU A 94 -0.549 -3.471 -0.112 1.00 60.21 C ATOM 1459 CD1 LEU A 94 -0.107 -2.011 -0.079 1.00 60.44 C ATOM 1460 CD2 LEU A 94 0.575 -4.362 -0.630 1.00 23.41 C ATOM 0 H LEU A 94 -3.367 -4.992 0.369 1.00 54.30 H new ATOM 0 HA LEU A 94 -0.748 -6.088 1.227 1.00 62.04 H new ATOM 0 HB2 LEU A 94 -1.792 -3.247 1.626 1.00 61.10 H new ATOM 0 HB3 LEU A 94 -0.177 -3.834 1.972 1.00 61.10 H new ATOM 0 HG LEU A 94 -1.393 -3.559 -0.796 1.00 60.21 H new ATOM 0 HD11 LEU A 94 0.218 -1.707 -1.074 1.00 60.44 H new ATOM 0 HD12 LEU A 94 -0.942 -1.385 0.237 1.00 60.44 H new ATOM 0 HD13 LEU A 94 0.718 -1.897 0.624 1.00 60.44 H new ATOM 0 HD21 LEU A 94 0.887 -4.018 -1.616 1.00 23.41 H new ATOM 0 HD22 LEU A 94 1.422 -4.315 0.055 1.00 23.41 H new ATOM 0 HD23 LEU A 94 0.221 -5.391 -0.699 1.00 23.41 H new ATOM 1472 N ARG A 95 -1.355 -5.961 3.721 1.00 43.44 N ATOM 1473 CA ARG A 95 -1.794 -6.058 5.122 1.00 44.33 C ATOM 1474 C ARG A 95 -0.604 -5.848 6.072 1.00 21.01 C ATOM 1475 O ARG A 95 0.545 -6.095 5.700 1.00 5.30 O ATOM 1476 CB ARG A 95 -2.475 -7.413 5.392 1.00 42.52 C ATOM 1477 CG ARG A 95 -1.530 -8.608 5.342 1.00 54.44 C ATOM 1478 CD ARG A 95 -2.274 -9.937 5.437 1.00 60.42 C ATOM 1479 NE ARG A 95 -3.137 -10.022 6.616 1.00 33.11 N ATOM 1480 CZ ARG A 95 -3.844 -11.076 6.931 1.00 13.54 C ATOM 1481 NH1 ARG A 95 -3.751 -12.165 6.235 1.00 10.23 N ATOM 1482 NH2 ARG A 95 -4.624 -11.050 7.955 1.00 42.11 N ATOM 0 H ARG A 95 -0.375 -6.202 3.572 1.00 43.44 H new ATOM 0 HA ARG A 95 -2.526 -5.272 5.306 1.00 44.33 H new ATOM 0 HB2 ARG A 95 -2.949 -7.380 6.373 1.00 42.52 H new ATOM 0 HB3 ARG A 95 -3.268 -7.561 4.659 1.00 42.52 H new ATOM 0 HG2 ARG A 95 -0.959 -8.579 4.414 1.00 54.44 H new ATOM 0 HG3 ARG A 95 -0.813 -8.536 6.160 1.00 54.44 H new ATOM 0 HD2 ARG A 95 -2.878 -10.075 4.540 1.00 60.42 H new ATOM 0 HD3 ARG A 95 -1.551 -10.752 5.463 1.00 60.42 H new ATOM 0 HE ARG A 95 -3.190 -9.209 7.230 1.00 33.11 H new ATOM 0 HH11 ARG A 95 -3.122 -12.206 5.433 1.00 10.23 H new ATOM 0 HH12 ARG A 95 -4.307 -12.982 6.489 1.00 10.23 H new ATOM 0 HH21 ARG A 95 -4.692 -10.206 8.523 1.00 42.11 H new ATOM 0 HH22 ARG A 95 -5.174 -11.874 8.198 1.00 42.11 H new ATOM 1496 N ALA A 96 -0.874 -5.385 7.290 1.00 43.42 N ATOM 1497 CA ALA A 96 0.192 -5.076 8.255 1.00 2.25 C ATOM 1498 C ALA A 96 0.984 -6.329 8.676 1.00 33.32 C ATOM 1499 O ALA A 96 0.410 -7.395 8.912 1.00 72.31 O ATOM 1500 CB ALA A 96 -0.395 -4.376 9.477 1.00 51.31 C ATOM 0 H ALA A 96 -1.818 -5.214 7.637 1.00 43.42 H new ATOM 0 HA ALA A 96 0.897 -4.408 7.760 1.00 2.25 H new ATOM 0 HB1 ALA A 96 0.402 -4.151 10.186 1.00 51.31 H new ATOM 0 HB2 ALA A 96 -0.878 -3.449 9.168 1.00 51.31 H new ATOM 0 HB3 ALA A 96 -1.129 -5.027 9.951 1.00 51.31 H new ATOM 1506 N LYS A 97 2.309 -6.190 8.765 1.00 24.23 N ATOM 1507 CA LYS A 97 3.186 -7.295 9.180 1.00 52.50 C ATOM 1508 C LYS A 97 3.172 -7.483 10.707 1.00 12.33 C ATOM 1509 O LYS A 97 3.698 -6.652 11.455 1.00 32.12 O ATOM 1510 CB LYS A 97 4.624 -7.042 8.693 1.00 32.42 C ATOM 1511 CG LYS A 97 5.662 -8.037 9.229 1.00 64.15 C ATOM 1512 CD LYS A 97 5.400 -9.468 8.760 1.00 23.23 C ATOM 1513 CE LYS A 97 5.585 -9.624 7.255 1.00 71.22 C ATOM 1514 NZ LYS A 97 5.311 -11.014 6.804 1.00 75.34 N ATOM 0 H LYS A 97 2.802 -5.322 8.555 1.00 24.23 H new ATOM 0 HA LYS A 97 2.807 -8.210 8.726 1.00 52.50 H new ATOM 0 HB2 LYS A 97 4.636 -7.075 7.604 1.00 32.42 H new ATOM 0 HB3 LYS A 97 4.921 -6.035 8.984 1.00 32.42 H new ATOM 0 HG2 LYS A 97 6.656 -7.729 8.906 1.00 64.15 H new ATOM 0 HG3 LYS A 97 5.658 -8.009 10.319 1.00 64.15 H new ATOM 0 HD2 LYS A 97 6.075 -10.148 9.280 1.00 23.23 H new ATOM 0 HD3 LYS A 97 4.385 -9.757 9.031 1.00 23.23 H new ATOM 0 HE2 LYS A 97 4.920 -8.936 6.734 1.00 71.22 H new ATOM 0 HE3 LYS A 97 6.604 -9.349 6.984 1.00 71.22 H new ATOM 0 HZ1 LYS A 97 5.448 -11.078 5.775 1.00 75.34 H new ATOM 0 HZ2 LYS A 97 5.963 -11.669 7.282 1.00 75.34 H new ATOM 0 HZ3 LYS A 97 4.330 -11.268 7.039 1.00 75.34 H new ATOM 1528 N LEU A 98 2.565 -8.580 11.158 1.00 64.53 N ATOM 1529 CA LEU A 98 2.522 -8.921 12.585 1.00 41.21 C ATOM 1530 C LEU A 98 3.597 -9.963 12.937 1.00 60.23 C ATOM 1531 O LEU A 98 3.689 -11.013 12.298 1.00 21.23 O ATOM 1532 CB LEU A 98 1.131 -9.457 12.957 1.00 3.10 C ATOM 1533 CG LEU A 98 -0.043 -8.497 12.682 1.00 53.32 C ATOM 1534 CD1 LEU A 98 -1.374 -9.138 13.074 1.00 34.41 C ATOM 1535 CD2 LEU A 98 0.159 -7.173 13.421 1.00 25.24 C ATOM 0 H LEU A 98 2.093 -9.253 10.554 1.00 64.53 H new ATOM 0 HA LEU A 98 2.724 -8.015 13.157 1.00 41.21 H new ATOM 0 HB2 LEU A 98 0.958 -10.382 12.407 1.00 3.10 H new ATOM 0 HB3 LEU A 98 1.130 -9.711 14.017 1.00 3.10 H new ATOM 0 HG LEU A 98 -0.070 -8.291 11.612 1.00 53.32 H new ATOM 0 HD11 LEU A 98 -2.187 -8.441 12.871 1.00 34.41 H new ATOM 0 HD12 LEU A 98 -1.523 -10.049 12.495 1.00 34.41 H new ATOM 0 HD13 LEU A 98 -1.362 -9.381 14.136 1.00 34.41 H new ATOM 0 HD21 LEU A 98 -0.680 -6.509 13.214 1.00 25.24 H new ATOM 0 HD22 LEU A 98 0.218 -7.360 14.493 1.00 25.24 H new ATOM 0 HD23 LEU A 98 1.084 -6.705 13.083 1.00 25.24 H new ATOM 1547 N GLU A 99 4.401 -9.669 13.956 1.00 60.51 N ATOM 1548 CA GLU A 99 5.478 -10.566 14.388 1.00 40.44 C ATOM 1549 C GLU A 99 5.866 -10.261 15.841 1.00 34.52 C ATOM 1550 O GLU A 99 6.361 -9.170 16.144 1.00 0.33 O ATOM 1551 CB GLU A 99 6.694 -10.418 13.446 1.00 12.53 C ATOM 1552 CG GLU A 99 7.715 -11.561 13.515 1.00 0.24 C ATOM 1553 CD GLU A 99 8.693 -11.458 14.680 1.00 14.34 C ATOM 1554 OE1 GLU A 99 9.660 -10.671 14.583 1.00 54.10 O ATOM 1555 OE2 GLU A 99 8.512 -12.179 15.682 1.00 51.54 O ATOM 0 H GLU A 99 4.329 -8.811 14.503 1.00 60.51 H new ATOM 0 HA GLU A 99 5.130 -11.598 14.339 1.00 40.44 H new ATOM 0 HB2 GLU A 99 6.332 -10.337 12.421 1.00 12.53 H new ATOM 0 HB3 GLU A 99 7.203 -9.483 13.679 1.00 12.53 H new ATOM 0 HG2 GLU A 99 7.179 -12.507 13.588 1.00 0.24 H new ATOM 0 HG3 GLU A 99 8.279 -11.585 12.583 1.00 0.24 H new ATOM 1562 N HIS A 100 5.612 -11.208 16.740 1.00 34.54 N ATOM 1563 CA HIS A 100 5.938 -11.028 18.157 1.00 43.43 C ATOM 1564 C HIS A 100 7.453 -11.107 18.386 1.00 22.24 C ATOM 1565 O HIS A 100 7.998 -12.179 18.668 1.00 14.41 O ATOM 1566 CB HIS A 100 5.217 -12.070 19.022 1.00 5.52 C ATOM 1567 CG HIS A 100 5.476 -11.902 20.489 1.00 64.41 C ATOM 1568 ND1 HIS A 100 6.478 -12.571 21.161 1.00 40.54 N ATOM 1569 CD2 HIS A 100 4.868 -11.122 21.413 1.00 11.53 C ATOM 1570 CE1 HIS A 100 6.473 -12.210 22.428 1.00 13.23 C ATOM 1571 NE2 HIS A 100 5.509 -11.335 22.606 1.00 63.13 N ATOM 0 H HIS A 100 5.183 -12.106 16.516 1.00 34.54 H new ATOM 0 HA HIS A 100 5.595 -10.036 18.452 1.00 43.43 H new ATOM 0 HB2 HIS A 100 4.144 -12.005 18.839 1.00 5.52 H new ATOM 0 HB3 HIS A 100 5.532 -13.068 18.716 1.00 5.52 H new ATOM 0 HD2 HIS A 100 4.034 -10.457 21.243 1.00 11.53 H new ATOM 0 HE1 HIS A 100 7.147 -12.572 23.191 1.00 13.23 H new ATOM 0 HE2 HIS A 100 5.275 -10.886 23.491 1.00 63.13 H new ATOM 1580 N HIS A 101 8.125 -9.966 18.263 1.00 12.41 N ATOM 1581 CA HIS A 101 9.584 -9.907 18.381 1.00 72.31 C ATOM 1582 C HIS A 101 10.065 -10.355 19.772 1.00 13.12 C ATOM 1583 O HIS A 101 9.652 -9.799 20.792 1.00 23.13 O ATOM 1584 CB HIS A 101 10.082 -8.484 18.085 1.00 54.51 C ATOM 1585 CG HIS A 101 9.866 -8.048 16.663 1.00 53.55 C ATOM 1586 ND1 HIS A 101 8.623 -7.752 16.143 1.00 23.51 N ATOM 1587 CD2 HIS A 101 10.744 -7.852 15.648 1.00 61.34 C ATOM 1588 CE1 HIS A 101 8.745 -7.398 14.882 1.00 65.41 C ATOM 1589 NE2 HIS A 101 10.018 -7.448 14.555 1.00 14.23 N ATOM 0 H HIS A 101 7.683 -9.065 18.081 1.00 12.41 H new ATOM 0 HA HIS A 101 10.001 -10.598 17.648 1.00 72.31 H new ATOM 0 HB2 HIS A 101 9.574 -7.786 18.750 1.00 54.51 H new ATOM 0 HB3 HIS A 101 11.146 -8.426 18.315 1.00 54.51 H new ATOM 0 HD1 HIS A 101 7.744 -7.800 16.658 1.00 23.51 H new ATOM 0 HD2 HIS A 101 11.814 -7.988 15.691 1.00 61.34 H new ATOM 0 HE1 HIS A 101 7.936 -7.114 14.225 1.00 65.41 H new ATOM 1598 N HIS A 102 10.929 -11.372 19.803 1.00 34.40 N ATOM 1599 CA HIS A 102 11.567 -11.811 21.052 1.00 35.34 C ATOM 1600 C HIS A 102 12.280 -10.638 21.739 1.00 2.34 C ATOM 1601 O HIS A 102 12.733 -9.705 21.074 1.00 40.03 O ATOM 1602 CB HIS A 102 12.565 -12.940 20.772 1.00 14.43 C ATOM 1603 CG HIS A 102 11.917 -14.202 20.298 1.00 42.43 C ATOM 1604 ND1 HIS A 102 11.665 -14.470 18.971 1.00 23.32 N ATOM 1605 CD2 HIS A 102 11.458 -15.275 20.986 1.00 72.11 C ATOM 1606 CE1 HIS A 102 11.083 -15.644 18.863 1.00 53.52 C ATOM 1607 NE2 HIS A 102 10.944 -16.156 20.069 1.00 45.14 N ATOM 0 H HIS A 102 11.204 -11.908 18.980 1.00 34.40 H new ATOM 0 HA HIS A 102 10.790 -12.183 21.719 1.00 35.34 H new ATOM 0 HB2 HIS A 102 13.281 -12.604 20.022 1.00 14.43 H new ATOM 0 HB3 HIS A 102 13.130 -13.149 21.681 1.00 14.43 H new ATOM 0 HD2 HIS A 102 11.491 -15.411 22.057 1.00 72.11 H new ATOM 0 HE1 HIS A 102 10.771 -16.111 17.940 1.00 53.52 H new ATOM 0 HE2 HIS A 102 10.523 -17.060 20.285 1.00 45.14 H new ATOM 1616 N HIS A 103 12.389 -10.687 23.062 1.00 4.21 N ATOM 1617 CA HIS A 103 12.931 -9.557 23.820 1.00 50.13 C ATOM 1618 C HIS A 103 14.445 -9.371 23.593 1.00 51.54 C ATOM 1619 O HIS A 103 15.275 -9.919 24.322 1.00 64.03 O ATOM 1620 CB HIS A 103 12.627 -9.707 25.316 1.00 70.33 C ATOM 1621 CG HIS A 103 13.018 -8.504 26.120 1.00 0.55 C ATOM 1622 ND1 HIS A 103 14.241 -8.385 26.739 1.00 64.05 N ATOM 1623 CD2 HIS A 103 12.355 -7.352 26.387 1.00 72.13 C ATOM 1624 CE1 HIS A 103 14.317 -7.219 27.348 1.00 52.10 C ATOM 1625 NE2 HIS A 103 13.189 -6.571 27.150 1.00 42.22 N ATOM 0 H HIS A 103 12.113 -11.487 23.631 1.00 4.21 H new ATOM 0 HA HIS A 103 12.436 -8.660 23.448 1.00 50.13 H new ATOM 0 HB2 HIS A 103 11.561 -9.893 25.447 1.00 70.33 H new ATOM 0 HB3 HIS A 103 13.153 -10.581 25.701 1.00 70.33 H new ATOM 0 HD2 HIS A 103 11.358 -7.096 26.061 1.00 72.13 H new ATOM 0 HE1 HIS A 103 15.162 -6.856 27.914 1.00 52.10 H new ATOM 0 HE2 HIS A 103 12.970 -5.640 27.505 1.00 42.22 H new ATOM 1634 N HIS A 104 14.785 -8.610 22.559 1.00 2.53 N ATOM 1635 CA HIS A 104 16.172 -8.208 22.295 1.00 14.31 C ATOM 1636 C HIS A 104 16.258 -6.704 22.000 1.00 51.13 C ATOM 1637 O HIS A 104 17.272 -6.209 21.505 1.00 35.43 O ATOM 1638 CB HIS A 104 16.765 -9.018 21.132 1.00 63.03 C ATOM 1639 CG HIS A 104 15.930 -9.018 19.885 1.00 63.41 C ATOM 1640 ND1 HIS A 104 15.880 -7.958 19.004 1.00 44.52 N ATOM 1641 CD2 HIS A 104 15.114 -9.967 19.368 1.00 32.23 C ATOM 1642 CE1 HIS A 104 15.073 -8.255 18.006 1.00 40.54 C ATOM 1643 NE2 HIS A 104 14.597 -9.469 18.199 1.00 40.41 N ATOM 0 H HIS A 104 14.114 -8.253 21.879 1.00 2.53 H new ATOM 0 HA HIS A 104 16.757 -8.416 23.191 1.00 14.31 H new ATOM 0 HB2 HIS A 104 17.751 -8.620 20.894 1.00 63.03 H new ATOM 0 HB3 HIS A 104 16.908 -10.048 21.459 1.00 63.03 H new ATOM 0 HD2 HIS A 104 14.908 -10.937 19.797 1.00 32.23 H new ATOM 0 HE1 HIS A 104 14.840 -7.612 17.170 1.00 40.54 H new ATOM 0 HE2 HIS A 104 13.950 -9.958 17.580 1.00 40.41 H new ATOM 1652 N HIS A 105 15.178 -5.988 22.310 1.00 21.04 N ATOM 1653 CA HIS A 105 15.120 -4.530 22.145 1.00 34.31 C ATOM 1654 C HIS A 105 14.258 -3.888 23.254 1.00 42.12 C ATOM 1655 O HIS A 105 14.830 -3.327 24.214 1.00 38.38 O ATOM 1656 CB HIS A 105 14.569 -4.175 20.752 1.00 42.51 C ATOM 1657 CG HIS A 105 14.482 -2.697 20.494 1.00 11.53 C ATOM 1658 ND1 HIS A 105 13.290 -2.033 20.307 1.00 63.13 N ATOM 1659 CD2 HIS A 105 15.450 -1.755 20.396 1.00 71.51 C ATOM 1660 CE1 HIS A 105 13.527 -0.753 20.107 1.00 42.30 C ATOM 1661 NE2 HIS A 105 14.828 -0.554 20.157 1.00 13.01 N ATOM 1662 OXT HIS A 105 13.014 -3.973 23.170 1.00 38.38 O ATOM 0 H HIS A 105 14.320 -6.397 22.681 1.00 21.04 H new ATOM 0 HA HIS A 105 16.131 -4.130 22.231 1.00 34.31 H new ATOM 0 HB2 HIS A 105 15.205 -4.630 19.993 1.00 42.51 H new ATOM 0 HB3 HIS A 105 13.577 -4.613 20.641 1.00 42.51 H new ATOM 0 HD2 HIS A 105 16.514 -1.918 20.489 1.00 71.51 H new ATOM 0 HE1 HIS A 105 12.780 0.006 19.931 1.00 42.30 H new ATOM 0 HE2 HIS A 105 15.296 0.344 20.038 1.00 13.01 H new TER 1671 HIS A 105