USER MOD reduce.3.24.130724 H: found=0, std=0, add=943, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 943 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 53 LYS NZ :NH3+ 163:sc= 0.346 (180deg=-0.000927) USER MOD Set 1.2: A 102 SER OG : rot 49:sc= 0.243 USER MOD Single : A 1 MET CE :methyl -155:sc= -1.25 (180deg=-2.4!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.282 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 12 LYS NZ :NH3+ -161:sc= 0.333 (180deg=0.23) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= -0.0105 (180deg=-0.145) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 1.19 (180deg=1.16) USER MOD Single : A 21 MET CE :methyl -160:sc= -0.181 (180deg=-0.914) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.57) USER MOD Single : A 31 THR OG1 : rot 37:sc= 0.414 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0427 USER MOD Single : A 39 LYS NZ :NH3+ 139:sc= 1.28 (180deg=0.752) USER MOD Single : A 40 LYS NZ :NH3+ -162:sc= 0.271 (180deg=-0.494!) USER MOD Single : A 41 TYR OH : rot -154:sc= 0.788 USER MOD Single : A 47 LYS NZ :NH3+ 173:sc=-0.00573 (180deg=-0.0852) USER MOD Single : A 49 SER OG : rot -95:sc= 1.05 USER MOD Single : A 50 GLN : amide:sc= -0.0563 X(o=-0.056,f=-0.047) USER MOD Single : A 51 ASN : amide:sc= -0.0718 X(o=-0.072,f=-0.067) USER MOD Single : A 59 SER OG : rot 180:sc= -0.891 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 66 LYS NZ :NH3+ -169:sc= 1.06 (180deg=0.952) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -166:sc= -0.174 (180deg=-0.651) USER MOD Single : A 80 THR OG1 : rot 42:sc= 0.238 USER MOD Single : A 82 LYS NZ :NH3+ -134:sc= 1.03 (180deg=-0.75!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -177:sc= 1.6 (180deg=1.59) USER MOD Single : A 94 LYS NZ :NH3+ -128:sc= 0.284 (180deg=-1.28) USER MOD Single : A 97 SER OG : rot 139:sc= 0.225 USER MOD Single : A 105 HIS : no HD1:sc= -0.295 X(o=-0.3,f=-0.0018) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.023 X(o=-0.023,f=-0.023) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.762 16.351 4.284 1.00 41.25 N ATOM 2 CA MET A 1 -0.369 15.396 4.124 1.00 14.24 C ATOM 3 C MET A 1 0.090 13.957 4.401 1.00 53.54 C ATOM 4 O MET A 1 1.131 13.525 3.901 1.00 5.23 O ATOM 5 CB MET A 1 -0.947 15.507 2.702 1.00 73.24 C ATOM 6 CG MET A 1 -2.251 14.745 2.502 1.00 44.13 C ATOM 7 SD MET A 1 -3.031 15.088 0.913 1.00 72.33 S ATOM 8 CE MET A 1 -4.620 14.293 1.140 1.00 25.41 C ATOM 0 H1 MET A 1 0.430 17.318 4.092 1.00 41.25 H new ATOM 0 H2 MET A 1 1.127 16.297 5.256 1.00 41.25 H new ATOM 0 H3 MET A 1 1.520 16.106 3.615 1.00 41.25 H new ATOM 0 HA MET A 1 -1.145 15.650 4.846 1.00 14.24 H new ATOM 0 HB2 MET A 1 -1.113 16.559 2.470 1.00 73.24 H new ATOM 0 HB3 MET A 1 -0.209 15.136 1.991 1.00 73.24 H new ATOM 0 HG2 MET A 1 -2.056 13.675 2.582 1.00 44.13 H new ATOM 0 HG3 MET A 1 -2.943 15.003 3.304 1.00 44.13 H new ATOM 0 HE1 MET A 1 -5.033 14.021 0.169 1.00 25.41 H new ATOM 0 HE2 MET A 1 -4.495 13.395 1.745 1.00 25.41 H new ATOM 0 HE3 MET A 1 -5.301 14.978 1.644 1.00 25.41 H new ATOM 20 N LEU A 2 -0.689 13.212 5.189 1.00 73.44 N ATOM 21 CA LEU A 2 -0.308 11.851 5.588 1.00 53.31 C ATOM 22 C LEU A 2 -0.416 10.877 4.404 1.00 14.44 C ATOM 23 O LEU A 2 -1.504 10.631 3.889 1.00 32.35 O ATOM 24 CB LEU A 2 -1.181 11.342 6.750 1.00 52.14 C ATOM 25 CG LEU A 2 -1.133 12.165 8.054 1.00 34.54 C ATOM 26 CD1 LEU A 2 -2.064 13.370 7.986 1.00 74.24 C ATOM 27 CD2 LEU A 2 -1.472 11.289 9.260 1.00 52.33 C ATOM 0 H LEU A 2 -1.585 13.525 5.563 1.00 73.44 H new ATOM 0 HA LEU A 2 0.729 11.894 5.921 1.00 53.31 H new ATOM 0 HB2 LEU A 2 -2.215 11.302 6.409 1.00 52.14 H new ATOM 0 HB3 LEU A 2 -0.882 10.319 6.980 1.00 52.14 H new ATOM 0 HG LEU A 2 -0.115 12.537 8.173 1.00 34.54 H new ATOM 0 HD11 LEU A 2 -2.006 13.928 8.921 1.00 74.24 H new ATOM 0 HD12 LEU A 2 -1.765 14.015 7.159 1.00 74.24 H new ATOM 0 HD13 LEU A 2 -3.088 13.030 7.829 1.00 74.24 H new ATOM 0 HD21 LEU A 2 -1.432 11.890 10.169 1.00 52.33 H new ATOM 0 HD22 LEU A 2 -2.474 10.878 9.141 1.00 52.33 H new ATOM 0 HD23 LEU A 2 -0.752 10.474 9.332 1.00 52.33 H new ATOM 39 N LEU A 3 0.716 10.328 3.973 1.00 21.51 N ATOM 40 CA LEU A 3 0.743 9.391 2.841 1.00 42.42 C ATOM 41 C LEU A 3 1.490 8.094 3.210 1.00 60.52 C ATOM 42 O LEU A 3 2.678 8.121 3.536 1.00 24.04 O ATOM 43 CB LEU A 3 1.406 10.067 1.632 1.00 33.12 C ATOM 44 CG LEU A 3 0.699 11.341 1.126 1.00 52.42 C ATOM 45 CD1 LEU A 3 1.526 12.038 0.048 1.00 44.35 C ATOM 46 CD2 LEU A 3 -0.694 11.010 0.601 1.00 42.00 C ATOM 0 H LEU A 3 1.630 10.512 4.387 1.00 21.51 H new ATOM 0 HA LEU A 3 -0.282 9.121 2.587 1.00 42.42 H new ATOM 0 HB2 LEU A 3 2.433 10.320 1.895 1.00 33.12 H new ATOM 0 HB3 LEU A 3 1.454 9.348 0.814 1.00 33.12 H new ATOM 0 HG LEU A 3 0.598 12.025 1.968 1.00 52.42 H new ATOM 0 HD11 LEU A 3 1.003 12.933 -0.290 1.00 44.35 H new ATOM 0 HD12 LEU A 3 2.496 12.318 0.458 1.00 44.35 H new ATOM 0 HD13 LEU A 3 1.670 11.362 -0.795 1.00 44.35 H new ATOM 0 HD21 LEU A 3 -1.176 11.922 0.249 1.00 42.00 H new ATOM 0 HD22 LEU A 3 -0.613 10.301 -0.223 1.00 42.00 H new ATOM 0 HD23 LEU A 3 -1.289 10.571 1.401 1.00 42.00 H new ATOM 58 N TYR A 4 0.784 6.962 3.164 1.00 34.13 N ATOM 59 CA TYR A 4 1.353 5.665 3.575 1.00 63.41 C ATOM 60 C TYR A 4 1.302 4.628 2.440 1.00 61.13 C ATOM 61 O TYR A 4 0.534 4.769 1.490 1.00 42.40 O ATOM 62 CB TYR A 4 0.604 5.128 4.805 1.00 43.23 C ATOM 63 CG TYR A 4 0.846 5.935 6.068 1.00 54.10 C ATOM 64 CD1 TYR A 4 0.196 7.147 6.288 1.00 23.32 C ATOM 65 CD2 TYR A 4 1.733 5.483 7.039 1.00 12.42 C ATOM 66 CE1 TYR A 4 0.424 7.879 7.438 1.00 44.15 C ATOM 67 CE2 TYR A 4 1.963 6.211 8.190 1.00 20.13 C ATOM 68 CZ TYR A 4 1.310 7.407 8.384 1.00 51.10 C ATOM 69 OH TYR A 4 1.543 8.134 9.530 1.00 11.32 O ATOM 0 H TYR A 4 -0.184 6.912 2.847 1.00 34.13 H new ATOM 0 HA TYR A 4 2.401 5.832 3.825 1.00 63.41 H new ATOM 0 HB2 TYR A 4 -0.465 5.116 4.592 1.00 43.23 H new ATOM 0 HB3 TYR A 4 0.906 4.095 4.981 1.00 43.23 H new ATOM 0 HD1 TYR A 4 -0.497 7.521 5.549 1.00 23.32 H new ATOM 0 HD2 TYR A 4 2.251 4.547 6.891 1.00 12.42 H new ATOM 0 HE1 TYR A 4 -0.089 8.816 7.595 1.00 44.15 H new ATOM 0 HE2 TYR A 4 2.653 5.843 8.935 1.00 20.13 H new ATOM 0 HH TYR A 4 2.192 7.661 10.091 1.00 11.32 H new ATOM 79 N VAL A 5 2.122 3.580 2.554 1.00 21.24 N ATOM 80 CA VAL A 5 2.185 2.518 1.539 1.00 65.33 C ATOM 81 C VAL A 5 1.980 1.124 2.164 1.00 24.33 C ATOM 82 O VAL A 5 2.669 0.747 3.113 1.00 11.05 O ATOM 83 CB VAL A 5 3.544 2.538 0.786 1.00 64.40 C ATOM 84 CG1 VAL A 5 3.606 1.432 -0.269 1.00 64.41 C ATOM 85 CG2 VAL A 5 3.798 3.906 0.153 1.00 44.21 C ATOM 0 H VAL A 5 2.755 3.441 3.342 1.00 21.24 H new ATOM 0 HA VAL A 5 1.378 2.713 0.833 1.00 65.33 H new ATOM 0 HB VAL A 5 4.331 2.350 1.516 1.00 64.40 H new ATOM 0 HG11 VAL A 5 4.568 1.470 -0.780 1.00 64.41 H new ATOM 0 HG12 VAL A 5 3.490 0.462 0.214 1.00 64.41 H new ATOM 0 HG13 VAL A 5 2.804 1.575 -0.994 1.00 64.41 H new ATOM 0 HG21 VAL A 5 4.755 3.894 -0.368 1.00 44.21 H new ATOM 0 HG22 VAL A 5 3.002 4.132 -0.556 1.00 44.21 H new ATOM 0 HG23 VAL A 5 3.818 4.669 0.931 1.00 44.21 H new ATOM 95 N LEU A 6 1.025 0.368 1.625 1.00 71.43 N ATOM 96 CA LEU A 6 0.773 -1.014 2.056 1.00 74.30 C ATOM 97 C LEU A 6 1.172 -2.005 0.949 1.00 73.33 C ATOM 98 O LEU A 6 0.692 -1.908 -0.179 1.00 11.51 O ATOM 99 CB LEU A 6 -0.710 -1.197 2.419 1.00 51.13 C ATOM 100 CG LEU A 6 -1.224 -0.318 3.572 1.00 51.51 C ATOM 101 CD1 LEU A 6 -2.710 -0.568 3.824 1.00 42.04 C ATOM 102 CD2 LEU A 6 -0.412 -0.570 4.841 1.00 14.14 C ATOM 0 H LEU A 6 0.405 0.690 0.881 1.00 71.43 H new ATOM 0 HA LEU A 6 1.379 -1.216 2.939 1.00 74.30 H new ATOM 0 HB2 LEU A 6 -1.311 -0.991 1.533 1.00 51.13 H new ATOM 0 HB3 LEU A 6 -0.876 -2.242 2.681 1.00 51.13 H new ATOM 0 HG LEU A 6 -1.100 0.727 3.286 1.00 51.51 H new ATOM 0 HD11 LEU A 6 -3.051 0.064 4.643 1.00 42.04 H new ATOM 0 HD12 LEU A 6 -3.277 -0.332 2.923 1.00 42.04 H new ATOM 0 HD13 LEU A 6 -2.864 -1.615 4.085 1.00 42.04 H new ATOM 0 HD21 LEU A 6 -0.790 0.060 5.646 1.00 14.14 H new ATOM 0 HD22 LEU A 6 -0.502 -1.618 5.128 1.00 14.14 H new ATOM 0 HD23 LEU A 6 0.636 -0.333 4.656 1.00 14.14 H new ATOM 114 N ILE A 7 2.045 -2.958 1.273 1.00 43.23 N ATOM 115 CA ILE A 7 2.566 -3.898 0.271 1.00 63.10 C ATOM 116 C ILE A 7 2.175 -5.354 0.583 1.00 1.22 C ATOM 117 O ILE A 7 2.357 -5.832 1.702 1.00 40.33 O ATOM 118 CB ILE A 7 4.110 -3.783 0.167 1.00 50.15 C ATOM 119 CG1 ILE A 7 4.659 -4.738 -0.904 1.00 1.41 C ATOM 120 CG2 ILE A 7 4.769 -4.051 1.520 1.00 25.30 C ATOM 121 CD1 ILE A 7 6.162 -4.662 -1.077 1.00 30.51 C ATOM 0 H ILE A 7 2.407 -3.103 2.215 1.00 43.23 H new ATOM 0 HA ILE A 7 2.115 -3.627 -0.684 1.00 63.10 H new ATOM 0 HB ILE A 7 4.352 -2.763 -0.132 1.00 50.15 H new ATOM 0 HG12 ILE A 7 4.384 -5.760 -0.642 1.00 1.41 H new ATOM 0 HG13 ILE A 7 4.181 -4.513 -1.857 1.00 1.41 H new ATOM 0 HG21 ILE A 7 5.851 -3.965 1.421 1.00 25.30 H new ATOM 0 HG22 ILE A 7 4.412 -3.324 2.249 1.00 25.30 H new ATOM 0 HG23 ILE A 7 4.515 -5.056 1.856 1.00 25.30 H new ATOM 0 HD11 ILE A 7 6.475 -5.364 -1.849 1.00 30.51 H new ATOM 0 HD12 ILE A 7 6.444 -3.651 -1.370 1.00 30.51 H new ATOM 0 HD13 ILE A 7 6.650 -4.916 -0.136 1.00 30.51 H new ATOM 133 N ILE A 8 1.631 -6.051 -0.414 1.00 21.35 N ATOM 134 CA ILE A 8 1.252 -7.463 -0.266 1.00 42.43 C ATOM 135 C ILE A 8 2.093 -8.354 -1.199 1.00 11.35 C ATOM 136 O ILE A 8 1.849 -8.404 -2.405 1.00 21.43 O ATOM 137 CB ILE A 8 -0.249 -7.669 -0.602 1.00 44.01 C ATOM 138 CG1 ILE A 8 -1.116 -6.678 0.192 1.00 61.41 C ATOM 139 CG2 ILE A 8 -0.674 -9.111 -0.310 1.00 54.35 C ATOM 140 CD1 ILE A 8 -2.584 -6.712 -0.171 1.00 0.12 C ATOM 0 H ILE A 8 1.441 -5.662 -1.338 1.00 21.35 H new ATOM 0 HA ILE A 8 1.435 -7.743 0.771 1.00 42.43 H new ATOM 0 HB ILE A 8 -0.394 -7.480 -1.666 1.00 44.01 H new ATOM 0 HG12 ILE A 8 -1.011 -6.891 1.256 1.00 61.41 H new ATOM 0 HG13 ILE A 8 -0.736 -5.669 0.030 1.00 61.41 H new ATOM 0 HG21 ILE A 8 -1.730 -9.235 -0.552 1.00 54.35 H new ATOM 0 HG22 ILE A 8 -0.080 -9.795 -0.916 1.00 54.35 H new ATOM 0 HG23 ILE A 8 -0.516 -9.330 0.746 1.00 54.35 H new ATOM 0 HD11 ILE A 8 -3.125 -5.984 0.434 1.00 0.12 H new ATOM 0 HD12 ILE A 8 -2.704 -6.468 -1.227 1.00 0.12 H new ATOM 0 HD13 ILE A 8 -2.983 -7.709 0.018 1.00 0.12 H new ATOM 152 N SER A 9 3.079 -9.054 -0.638 1.00 54.52 N ATOM 153 CA SER A 9 3.950 -9.939 -1.431 1.00 33.15 C ATOM 154 C SER A 9 4.704 -10.938 -0.542 1.00 64.11 C ATOM 155 O SER A 9 4.823 -10.742 0.669 1.00 11.42 O ATOM 156 CB SER A 9 4.961 -9.116 -2.245 1.00 63.13 C ATOM 157 OG SER A 9 5.822 -9.957 -3.000 1.00 62.01 O ATOM 0 H SER A 9 3.299 -9.030 0.358 1.00 54.52 H new ATOM 0 HA SER A 9 3.306 -10.499 -2.109 1.00 33.15 H new ATOM 0 HB2 SER A 9 4.428 -8.441 -2.915 1.00 63.13 H new ATOM 0 HB3 SER A 9 5.553 -8.495 -1.573 1.00 63.13 H new ATOM 0 HG SER A 9 6.453 -9.407 -3.509 1.00 62.01 H new ATOM 163 N ASN A 10 5.220 -12.006 -1.152 1.00 24.32 N ATOM 164 CA ASN A 10 6.055 -12.983 -0.438 1.00 11.11 C ATOM 165 C ASN A 10 7.537 -12.833 -0.822 1.00 51.25 C ATOM 166 O ASN A 10 8.398 -13.554 -0.308 1.00 11.05 O ATOM 167 CB ASN A 10 5.589 -14.414 -0.736 1.00 51.44 C ATOM 168 CG ASN A 10 4.177 -14.685 -0.255 1.00 5.35 C ATOM 169 OD1 ASN A 10 3.718 -14.121 0.735 1.00 41.22 O ATOM 170 ND2 ASN A 10 3.476 -15.558 -0.946 1.00 33.00 N ATOM 0 H ASN A 10 5.076 -12.220 -2.139 1.00 24.32 H new ATOM 0 HA ASN A 10 5.950 -12.787 0.629 1.00 11.11 H new ATOM 0 HB2 ASN A 10 5.642 -14.592 -1.810 1.00 51.44 H new ATOM 0 HB3 ASN A 10 6.271 -15.119 -0.262 1.00 51.44 H new ATOM 0 HD21 ASN A 10 2.522 -15.784 -0.664 1.00 33.00 H new ATOM 0 HD22 ASN A 10 3.886 -16.009 -1.764 1.00 33.00 H new ATOM 177 N ASP A 11 7.826 -11.902 -1.733 1.00 14.03 N ATOM 178 CA ASP A 11 9.200 -11.654 -2.185 1.00 22.40 C ATOM 179 C ASP A 11 9.930 -10.680 -1.243 1.00 12.35 C ATOM 180 O ASP A 11 9.644 -9.482 -1.233 1.00 25.15 O ATOM 181 CB ASP A 11 9.192 -11.095 -3.610 1.00 62.45 C ATOM 182 CG ASP A 11 8.569 -12.054 -4.605 1.00 30.31 C ATOM 183 OD1 ASP A 11 9.304 -12.896 -5.160 1.00 43.45 O ATOM 184 OD2 ASP A 11 7.347 -11.973 -4.838 1.00 42.50 O ATOM 0 H ASP A 11 7.126 -11.305 -2.174 1.00 14.03 H new ATOM 0 HA ASP A 11 9.735 -12.604 -2.173 1.00 22.40 H new ATOM 0 HB2 ASP A 11 8.643 -10.154 -3.625 1.00 62.45 H new ATOM 0 HB3 ASP A 11 10.214 -10.873 -3.916 1.00 62.45 H new ATOM 189 N LYS A 12 10.886 -11.193 -0.470 1.00 51.05 N ATOM 190 CA LYS A 12 11.602 -10.375 0.523 1.00 32.55 C ATOM 191 C LYS A 12 12.419 -9.259 -0.150 1.00 74.40 C ATOM 192 O LYS A 12 12.363 -8.101 0.265 1.00 2.22 O ATOM 193 CB LYS A 12 12.517 -11.249 1.401 1.00 42.15 C ATOM 194 CG LYS A 12 11.777 -12.167 2.378 1.00 53.14 C ATOM 195 CD LYS A 12 11.009 -13.282 1.669 1.00 34.14 C ATOM 196 CE LYS A 12 10.269 -14.179 2.655 1.00 32.35 C ATOM 197 NZ LYS A 12 9.542 -15.279 1.970 1.00 61.21 N ATOM 0 H LYS A 12 11.186 -12.167 -0.507 1.00 51.05 H new ATOM 0 HA LYS A 12 10.851 -9.908 1.160 1.00 32.55 H new ATOM 0 HB2 LYS A 12 13.144 -11.861 0.753 1.00 42.15 H new ATOM 0 HB3 LYS A 12 13.183 -10.599 1.968 1.00 42.15 H new ATOM 0 HG2 LYS A 12 12.494 -12.608 3.070 1.00 53.14 H new ATOM 0 HG3 LYS A 12 11.083 -11.574 2.973 1.00 53.14 H new ATOM 0 HD2 LYS A 12 10.296 -12.844 0.971 1.00 34.14 H new ATOM 0 HD3 LYS A 12 11.702 -13.883 1.081 1.00 34.14 H new ATOM 0 HE2 LYS A 12 10.980 -14.601 3.365 1.00 32.35 H new ATOM 0 HE3 LYS A 12 9.562 -13.580 3.230 1.00 32.35 H new ATOM 0 HZ1 LYS A 12 8.812 -15.661 2.605 1.00 61.21 H new ATOM 0 HZ2 LYS A 12 9.093 -14.913 1.106 1.00 61.21 H new ATOM 0 HZ3 LYS A 12 10.212 -16.034 1.719 1.00 61.21 H new ATOM 211 N LYS A 13 13.169 -9.612 -1.197 1.00 4.40 N ATOM 212 CA LYS A 13 13.933 -8.627 -1.976 1.00 20.24 C ATOM 213 C LYS A 13 13.018 -7.523 -2.526 1.00 15.20 C ATOM 214 O LYS A 13 13.387 -6.349 -2.544 1.00 32.22 O ATOM 215 CB LYS A 13 14.673 -9.315 -3.133 1.00 24.32 C ATOM 216 CG LYS A 13 15.826 -10.212 -2.689 1.00 24.31 C ATOM 217 CD LYS A 13 16.946 -9.408 -2.030 1.00 4.41 C ATOM 218 CE LYS A 13 18.121 -10.293 -1.626 1.00 44.03 C ATOM 219 NZ LYS A 13 17.724 -11.345 -0.653 1.00 4.14 N ATOM 0 H LYS A 13 13.265 -10.572 -1.527 1.00 4.40 H new ATOM 0 HA LYS A 13 14.662 -8.168 -1.308 1.00 20.24 H new ATOM 0 HB2 LYS A 13 13.960 -9.912 -3.702 1.00 24.32 H new ATOM 0 HB3 LYS A 13 15.060 -8.552 -3.808 1.00 24.32 H new ATOM 0 HG2 LYS A 13 15.456 -10.961 -1.989 1.00 24.31 H new ATOM 0 HG3 LYS A 13 16.222 -10.749 -3.551 1.00 24.31 H new ATOM 0 HD2 LYS A 13 17.292 -8.637 -2.718 1.00 4.41 H new ATOM 0 HD3 LYS A 13 16.556 -8.898 -1.149 1.00 4.41 H new ATOM 0 HE2 LYS A 13 18.542 -10.763 -2.515 1.00 44.03 H new ATOM 0 HE3 LYS A 13 18.906 -9.675 -1.190 1.00 44.03 H new ATOM 0 HZ1 LYS A 13 18.574 -11.822 -0.292 1.00 4.14 H new ATOM 0 HZ2 LYS A 13 17.209 -10.909 0.138 1.00 4.14 H new ATOM 0 HZ3 LYS A 13 17.111 -12.040 -1.124 1.00 4.14 H new ATOM 233 N LEU A 14 11.825 -7.912 -2.964 1.00 52.52 N ATOM 234 CA LEU A 14 10.833 -6.962 -3.474 1.00 43.41 C ATOM 235 C LEU A 14 10.376 -6.003 -2.358 1.00 44.00 C ATOM 236 O LEU A 14 10.293 -4.788 -2.559 1.00 34.23 O ATOM 237 CB LEU A 14 9.644 -7.741 -4.072 1.00 62.03 C ATOM 238 CG LEU A 14 8.591 -6.919 -4.845 1.00 74.54 C ATOM 239 CD1 LEU A 14 7.865 -7.799 -5.857 1.00 15.41 C ATOM 240 CD2 LEU A 14 7.581 -6.271 -3.898 1.00 42.11 C ATOM 0 H LEU A 14 11.517 -8.884 -2.977 1.00 52.52 H new ATOM 0 HA LEU A 14 11.281 -6.353 -4.259 1.00 43.41 H new ATOM 0 HB2 LEU A 14 10.040 -8.503 -4.744 1.00 62.03 H new ATOM 0 HB3 LEU A 14 9.138 -8.264 -3.260 1.00 62.03 H new ATOM 0 HG LEU A 14 9.117 -6.125 -5.374 1.00 74.54 H new ATOM 0 HD11 LEU A 14 7.126 -7.203 -6.393 1.00 15.41 H new ATOM 0 HD12 LEU A 14 8.585 -8.208 -6.566 1.00 15.41 H new ATOM 0 HD13 LEU A 14 7.364 -8.615 -5.336 1.00 15.41 H new ATOM 0 HD21 LEU A 14 6.854 -5.700 -4.476 1.00 42.11 H new ATOM 0 HD22 LEU A 14 7.065 -7.046 -3.331 1.00 42.11 H new ATOM 0 HD23 LEU A 14 8.102 -5.604 -3.211 1.00 42.11 H new ATOM 252 N ILE A 15 10.098 -6.561 -1.178 1.00 65.50 N ATOM 253 CA ILE A 15 9.687 -5.768 -0.015 1.00 1.42 C ATOM 254 C ILE A 15 10.790 -4.787 0.423 1.00 41.11 C ATOM 255 O ILE A 15 10.523 -3.611 0.676 1.00 22.43 O ATOM 256 CB ILE A 15 9.306 -6.682 1.181 1.00 60.53 C ATOM 257 CG1 ILE A 15 8.117 -7.589 0.809 1.00 34.44 C ATOM 258 CG2 ILE A 15 8.979 -5.839 2.416 1.00 23.00 C ATOM 259 CD1 ILE A 15 7.731 -8.577 1.891 1.00 44.23 C ATOM 0 H ILE A 15 10.150 -7.564 -1.001 1.00 65.50 H new ATOM 0 HA ILE A 15 8.812 -5.194 -0.320 1.00 1.42 H new ATOM 0 HB ILE A 15 10.160 -7.317 1.417 1.00 60.53 H new ATOM 0 HG12 ILE A 15 7.255 -6.963 0.579 1.00 34.44 H new ATOM 0 HG13 ILE A 15 8.363 -8.139 -0.099 1.00 34.44 H new ATOM 0 HG21 ILE A 15 8.714 -6.495 3.245 1.00 23.00 H new ATOM 0 HG22 ILE A 15 9.849 -5.242 2.690 1.00 23.00 H new ATOM 0 HG23 ILE A 15 8.141 -5.178 2.194 1.00 23.00 H new ATOM 0 HD11 ILE A 15 6.887 -9.177 1.551 1.00 44.23 H new ATOM 0 HD12 ILE A 15 8.577 -9.230 2.106 1.00 44.23 H new ATOM 0 HD13 ILE A 15 7.451 -8.036 2.795 1.00 44.23 H new ATOM 271 N GLU A 16 12.028 -5.273 0.502 1.00 41.54 N ATOM 272 CA GLU A 16 13.159 -4.439 0.927 1.00 71.34 C ATOM 273 C GLU A 16 13.473 -3.336 -0.100 1.00 43.44 C ATOM 274 O GLU A 16 13.682 -2.180 0.274 1.00 32.51 O ATOM 275 CB GLU A 16 14.395 -5.309 1.199 1.00 61.22 C ATOM 276 CG GLU A 16 14.213 -6.254 2.385 1.00 73.33 C ATOM 277 CD GLU A 16 15.462 -7.059 2.707 1.00 2.33 C ATOM 278 OE1 GLU A 16 16.352 -6.533 3.406 1.00 2.32 O ATOM 279 OE2 GLU A 16 15.557 -8.224 2.274 1.00 52.13 O ATOM 0 H GLU A 16 12.276 -6.237 0.279 1.00 41.54 H new ATOM 0 HA GLU A 16 12.875 -3.942 1.854 1.00 71.34 H new ATOM 0 HB2 GLU A 16 14.624 -5.894 0.308 1.00 61.22 H new ATOM 0 HB3 GLU A 16 15.253 -4.663 1.385 1.00 61.22 H new ATOM 0 HG2 GLU A 16 13.926 -5.674 3.262 1.00 73.33 H new ATOM 0 HG3 GLU A 16 13.392 -6.939 2.173 1.00 73.33 H new ATOM 286 N GLU A 17 13.494 -3.685 -1.389 1.00 35.42 N ATOM 287 CA GLU A 17 13.645 -2.682 -2.457 1.00 53.24 C ATOM 288 C GLU A 17 12.549 -1.605 -2.367 1.00 53.53 C ATOM 289 O GLU A 17 12.810 -0.414 -2.569 1.00 70.44 O ATOM 290 CB GLU A 17 13.619 -3.354 -3.842 1.00 15.02 C ATOM 291 CG GLU A 17 14.976 -3.881 -4.311 1.00 30.42 C ATOM 292 CD GLU A 17 15.943 -2.762 -4.682 1.00 51.23 C ATOM 293 OE1 GLU A 17 16.556 -2.163 -3.774 1.00 13.32 O ATOM 294 OE2 GLU A 17 16.082 -2.455 -5.885 1.00 13.13 O ATOM 0 H GLU A 17 13.409 -4.646 -1.721 1.00 35.42 H new ATOM 0 HA GLU A 17 14.611 -2.196 -2.322 1.00 53.24 H new ATOM 0 HB2 GLU A 17 12.910 -4.181 -3.818 1.00 15.02 H new ATOM 0 HB3 GLU A 17 13.248 -2.637 -4.574 1.00 15.02 H new ATOM 0 HG2 GLU A 17 15.417 -4.491 -3.523 1.00 30.42 H new ATOM 0 HG3 GLU A 17 14.831 -4.531 -5.173 1.00 30.42 H new ATOM 301 N ALA A 18 11.324 -2.037 -2.062 1.00 51.34 N ATOM 302 CA ALA A 18 10.198 -1.117 -1.863 1.00 53.21 C ATOM 303 C ALA A 18 10.423 -0.211 -0.639 1.00 24.23 C ATOM 304 O ALA A 18 10.173 0.993 -0.691 1.00 5.24 O ATOM 305 CB ALA A 18 8.898 -1.901 -1.719 1.00 41.14 C ATOM 0 H ALA A 18 11.084 -3.022 -1.947 1.00 51.34 H new ATOM 0 HA ALA A 18 10.127 -0.474 -2.740 1.00 53.21 H new ATOM 0 HB1 ALA A 18 8.070 -1.208 -1.572 1.00 41.14 H new ATOM 0 HB2 ALA A 18 8.725 -2.487 -2.621 1.00 41.14 H new ATOM 0 HB3 ALA A 18 8.969 -2.569 -0.861 1.00 41.14 H new ATOM 311 N ARG A 19 10.900 -0.802 0.460 1.00 10.42 N ATOM 312 CA ARG A 19 11.243 -0.042 1.674 1.00 14.12 C ATOM 313 C ARG A 19 12.264 1.065 1.365 1.00 21.24 C ATOM 314 O ARG A 19 12.100 2.216 1.777 1.00 1.03 O ATOM 315 CB ARG A 19 11.817 -0.978 2.751 1.00 22.31 C ATOM 316 CG ARG A 19 10.804 -1.950 3.352 1.00 33.03 C ATOM 317 CD ARG A 19 11.466 -2.906 4.340 1.00 41.04 C ATOM 318 NE ARG A 19 10.493 -3.737 5.045 1.00 62.23 N ATOM 319 CZ ARG A 19 10.785 -4.853 5.656 1.00 12.11 C ATOM 320 NH1 ARG A 19 11.992 -5.327 5.628 1.00 42.14 N ATOM 321 NH2 ARG A 19 9.867 -5.494 6.302 1.00 61.13 N ATOM 0 H ARG A 19 11.059 -1.807 0.538 1.00 10.42 H new ATOM 0 HA ARG A 19 10.327 0.419 2.044 1.00 14.12 H new ATOM 0 HB2 ARG A 19 12.637 -1.550 2.317 1.00 22.31 H new ATOM 0 HB3 ARG A 19 12.240 -0.372 3.553 1.00 22.31 H new ATOM 0 HG2 ARG A 19 10.017 -1.391 3.857 1.00 33.03 H new ATOM 0 HG3 ARG A 19 10.328 -2.521 2.555 1.00 33.03 H new ATOM 0 HD2 ARG A 19 12.169 -3.546 3.807 1.00 41.04 H new ATOM 0 HD3 ARG A 19 12.044 -2.333 5.065 1.00 41.04 H new ATOM 0 HE ARG A 19 9.522 -3.425 5.061 1.00 62.23 H new ATOM 0 HH11 ARG A 19 12.725 -4.827 5.125 1.00 42.14 H new ATOM 0 HH12 ARG A 19 12.208 -6.200 6.109 1.00 42.14 H new ATOM 0 HH21 ARG A 19 8.916 -5.128 6.334 1.00 61.13 H new ATOM 0 HH22 ARG A 19 10.094 -6.366 6.780 1.00 61.13 H new ATOM 335 N LYS A 20 13.316 0.697 0.639 1.00 22.05 N ATOM 336 CA LYS A 20 14.369 1.641 0.244 1.00 24.13 C ATOM 337 C LYS A 20 13.801 2.822 -0.562 1.00 70.11 C ATOM 338 O LYS A 20 14.227 3.965 -0.392 1.00 4.24 O ATOM 339 CB LYS A 20 15.437 0.907 -0.577 1.00 21.21 C ATOM 340 CG LYS A 20 16.164 -0.190 0.198 1.00 44.01 C ATOM 341 CD LYS A 20 17.005 -1.072 -0.720 1.00 31.43 C ATOM 342 CE LYS A 20 18.036 -0.269 -1.506 1.00 24.22 C ATOM 343 NZ LYS A 20 18.788 -1.125 -2.457 1.00 34.34 N ATOM 0 H LYS A 20 13.467 -0.256 0.308 1.00 22.05 H new ATOM 0 HA LYS A 20 14.817 2.047 1.151 1.00 24.13 H new ATOM 0 HB2 LYS A 20 14.967 0.467 -1.457 1.00 21.21 H new ATOM 0 HB3 LYS A 20 16.168 1.632 -0.935 1.00 21.21 H new ATOM 0 HG2 LYS A 20 16.805 0.263 0.954 1.00 44.01 H new ATOM 0 HG3 LYS A 20 15.436 -0.806 0.726 1.00 44.01 H new ATOM 0 HD2 LYS A 20 17.514 -1.830 -0.125 1.00 31.43 H new ATOM 0 HD3 LYS A 20 16.350 -1.598 -1.415 1.00 31.43 H new ATOM 0 HE2 LYS A 20 17.535 0.530 -2.053 1.00 24.22 H new ATOM 0 HE3 LYS A 20 18.732 0.206 -0.814 1.00 24.22 H new ATOM 0 HZ1 LYS A 20 19.407 -0.531 -3.044 1.00 34.34 H new ATOM 0 HZ2 LYS A 20 19.366 -1.808 -1.927 1.00 34.34 H new ATOM 0 HZ3 LYS A 20 18.119 -1.637 -3.067 1.00 34.34 H new ATOM 357 N MET A 21 12.837 2.538 -1.438 1.00 70.32 N ATOM 358 CA MET A 21 12.191 3.579 -2.246 1.00 72.40 C ATOM 359 C MET A 21 11.220 4.427 -1.416 1.00 4.55 C ATOM 360 O MET A 21 11.108 5.638 -1.620 1.00 21.13 O ATOM 361 CB MET A 21 11.466 2.956 -3.441 1.00 53.23 C ATOM 362 CG MET A 21 12.408 2.504 -4.543 1.00 4.32 C ATOM 363 SD MET A 21 13.403 3.862 -5.190 1.00 0.33 S ATOM 364 CE MET A 21 12.121 5.024 -5.665 1.00 14.43 C ATOM 0 H MET A 21 12.484 1.596 -1.608 1.00 70.32 H new ATOM 0 HA MET A 21 12.975 4.242 -2.612 1.00 72.40 H new ATOM 0 HB2 MET A 21 10.882 2.102 -3.098 1.00 53.23 H new ATOM 0 HB3 MET A 21 10.762 3.681 -3.849 1.00 53.23 H new ATOM 0 HG2 MET A 21 13.066 1.725 -4.159 1.00 4.32 H new ATOM 0 HG3 MET A 21 11.830 2.061 -5.354 1.00 4.32 H new ATOM 0 HE1 MET A 21 12.524 5.736 -6.385 1.00 14.43 H new ATOM 0 HE2 MET A 21 11.289 4.483 -6.116 1.00 14.43 H new ATOM 0 HE3 MET A 21 11.770 5.560 -4.783 1.00 14.43 H new ATOM 374 N ALA A 22 10.516 3.790 -0.484 1.00 31.55 N ATOM 375 CA ALA A 22 9.625 4.511 0.426 1.00 72.10 C ATOM 376 C ALA A 22 10.399 5.588 1.197 1.00 63.42 C ATOM 377 O ALA A 22 9.935 6.718 1.352 1.00 42.13 O ATOM 378 CB ALA A 22 8.948 3.541 1.387 1.00 30.12 C ATOM 0 H ALA A 22 10.543 2.781 -0.338 1.00 31.55 H new ATOM 0 HA ALA A 22 8.853 5.004 -0.164 1.00 72.10 H new ATOM 0 HB1 ALA A 22 8.289 4.093 2.057 1.00 30.12 H new ATOM 0 HB2 ALA A 22 8.364 2.815 0.820 1.00 30.12 H new ATOM 0 HB3 ALA A 22 9.706 3.020 1.972 1.00 30.12 H new ATOM 384 N GLU A 23 11.597 5.225 1.655 1.00 22.34 N ATOM 385 CA GLU A 23 12.503 6.164 2.325 1.00 55.12 C ATOM 386 C GLU A 23 12.868 7.337 1.405 1.00 44.35 C ATOM 387 O GLU A 23 12.869 8.495 1.826 1.00 25.02 O ATOM 388 CB GLU A 23 13.773 5.427 2.777 1.00 52.45 C ATOM 389 CG GLU A 23 13.511 4.317 3.797 1.00 41.23 C ATOM 390 CD GLU A 23 13.242 4.839 5.202 1.00 4.41 C ATOM 391 OE1 GLU A 23 12.345 5.693 5.377 1.00 72.44 O ATOM 392 OE2 GLU A 23 13.925 4.385 6.148 1.00 40.34 O ATOM 0 H GLU A 23 11.967 4.278 1.574 1.00 22.34 H new ATOM 0 HA GLU A 23 11.992 6.571 3.197 1.00 55.12 H new ATOM 0 HB2 GLU A 23 14.263 4.997 1.903 1.00 52.45 H new ATOM 0 HB3 GLU A 23 14.467 6.148 3.209 1.00 52.45 H new ATOM 0 HG2 GLU A 23 12.657 3.725 3.468 1.00 41.23 H new ATOM 0 HG3 GLU A 23 14.371 3.648 3.824 1.00 41.23 H new ATOM 399 N LYS A 24 13.170 7.029 0.143 1.00 73.31 N ATOM 400 CA LYS A 24 13.454 8.061 -0.864 1.00 45.42 C ATOM 401 C LYS A 24 12.259 9.015 -1.026 1.00 51.41 C ATOM 402 O LYS A 24 12.425 10.229 -1.167 1.00 53.43 O ATOM 403 CB LYS A 24 13.774 7.409 -2.221 1.00 34.12 C ATOM 404 CG LYS A 24 14.959 6.445 -2.197 1.00 75.23 C ATOM 405 CD LYS A 24 16.286 7.158 -1.947 1.00 20.13 C ATOM 406 CE LYS A 24 16.617 8.147 -3.061 1.00 4.42 C ATOM 407 NZ LYS A 24 17.973 8.728 -2.899 1.00 14.42 N ATOM 0 H LYS A 24 13.225 6.073 -0.210 1.00 73.31 H new ATOM 0 HA LYS A 24 14.317 8.633 -0.523 1.00 45.42 H new ATOM 0 HB2 LYS A 24 12.892 6.872 -2.569 1.00 34.12 H new ATOM 0 HB3 LYS A 24 13.976 8.195 -2.949 1.00 34.12 H new ATOM 0 HG2 LYS A 24 14.800 5.697 -1.420 1.00 75.23 H new ATOM 0 HG3 LYS A 24 15.009 5.912 -3.147 1.00 75.23 H new ATOM 0 HD2 LYS A 24 16.241 7.685 -0.994 1.00 20.13 H new ATOM 0 HD3 LYS A 24 17.085 6.421 -1.866 1.00 20.13 H new ATOM 0 HE2 LYS A 24 16.550 7.643 -4.025 1.00 4.42 H new ATOM 0 HE3 LYS A 24 15.877 8.948 -3.068 1.00 4.42 H new ATOM 0 HZ1 LYS A 24 18.160 9.395 -3.675 1.00 14.42 H new ATOM 0 HZ2 LYS A 24 18.029 9.230 -1.990 1.00 14.42 H new ATOM 0 HZ3 LYS A 24 18.681 7.967 -2.918 1.00 14.42 H new ATOM 421 N ALA A 25 11.055 8.449 -0.992 1.00 52.24 N ATOM 422 CA ALA A 25 9.818 9.218 -1.169 1.00 71.45 C ATOM 423 C ALA A 25 9.258 9.750 0.165 1.00 52.30 C ATOM 424 O ALA A 25 8.195 10.374 0.191 1.00 43.34 O ATOM 425 CB ALA A 25 8.782 8.350 -1.873 1.00 13.40 C ATOM 0 H ALA A 25 10.906 7.451 -0.842 1.00 52.24 H new ATOM 0 HA ALA A 25 10.051 10.090 -1.780 1.00 71.45 H new ATOM 0 HB1 ALA A 25 7.861 8.918 -2.006 1.00 13.40 H new ATOM 0 HB2 ALA A 25 9.164 8.045 -2.847 1.00 13.40 H new ATOM 0 HB3 ALA A 25 8.578 7.465 -1.270 1.00 13.40 H new ATOM 431 N ASN A 26 9.975 9.484 1.263 1.00 40.04 N ATOM 432 CA ASN A 26 9.595 9.957 2.610 1.00 61.10 C ATOM 433 C ASN A 26 8.288 9.299 3.110 1.00 1.40 C ATOM 434 O ASN A 26 7.697 9.723 4.103 1.00 44.33 O ATOM 435 CB ASN A 26 9.485 11.496 2.622 1.00 71.14 C ATOM 436 CG ASN A 26 9.401 12.078 4.025 1.00 24.55 C ATOM 437 OD1 ASN A 26 8.321 12.341 4.547 1.00 23.51 O ATOM 438 ND2 ASN A 26 10.541 12.277 4.653 1.00 33.11 N ATOM 0 H ASN A 26 10.835 8.936 1.249 1.00 40.04 H new ATOM 0 HA ASN A 26 10.381 9.657 3.303 1.00 61.10 H new ATOM 0 HB2 ASN A 26 10.349 11.920 2.111 1.00 71.14 H new ATOM 0 HB3 ASN A 26 8.602 11.795 2.058 1.00 71.14 H new ATOM 0 HD21 ASN A 26 10.542 12.659 5.599 1.00 33.11 H new ATOM 0 HD22 ASN A 26 11.423 12.049 4.194 1.00 33.11 H new ATOM 445 N LEU A 27 7.865 8.232 2.441 1.00 34.41 N ATOM 446 CA LEU A 27 6.629 7.529 2.806 1.00 22.23 C ATOM 447 C LEU A 27 6.918 6.365 3.768 1.00 73.13 C ATOM 448 O LEU A 27 8.011 5.796 3.760 1.00 54.41 O ATOM 449 CB LEU A 27 5.931 7.001 1.542 1.00 63.53 C ATOM 450 CG LEU A 27 5.645 8.051 0.454 1.00 31.32 C ATOM 451 CD1 LEU A 27 4.923 7.417 -0.734 1.00 32.31 C ATOM 452 CD2 LEU A 27 4.837 9.216 1.019 1.00 14.42 C ATOM 0 H LEU A 27 8.356 7.831 1.642 1.00 34.41 H new ATOM 0 HA LEU A 27 5.973 8.237 3.313 1.00 22.23 H new ATOM 0 HB2 LEU A 27 6.549 6.214 1.109 1.00 63.53 H new ATOM 0 HB3 LEU A 27 4.987 6.541 1.835 1.00 63.53 H new ATOM 0 HG LEU A 27 6.600 8.442 0.103 1.00 31.32 H new ATOM 0 HD11 LEU A 27 4.731 8.177 -1.491 1.00 32.31 H new ATOM 0 HD12 LEU A 27 5.545 6.630 -1.160 1.00 32.31 H new ATOM 0 HD13 LEU A 27 3.977 6.991 -0.400 1.00 32.31 H new ATOM 0 HD21 LEU A 27 4.648 9.944 0.230 1.00 14.42 H new ATOM 0 HD22 LEU A 27 3.888 8.846 1.406 1.00 14.42 H new ATOM 0 HD23 LEU A 27 5.397 9.691 1.824 1.00 14.42 H new ATOM 464 N GLU A 28 5.940 6.018 4.605 1.00 74.13 N ATOM 465 CA GLU A 28 6.077 4.872 5.511 1.00 43.11 C ATOM 466 C GLU A 28 5.424 3.619 4.908 1.00 15.43 C ATOM 467 O GLU A 28 4.257 3.642 4.507 1.00 40.32 O ATOM 468 CB GLU A 28 5.462 5.182 6.885 1.00 53.22 C ATOM 469 CG GLU A 28 5.661 4.064 7.906 1.00 52.53 C ATOM 470 CD GLU A 28 5.099 4.402 9.278 1.00 71.45 C ATOM 471 OE1 GLU A 28 5.778 5.111 10.048 1.00 22.13 O ATOM 472 OE2 GLU A 28 3.983 3.949 9.597 1.00 64.15 O ATOM 0 H GLU A 28 5.049 6.509 4.676 1.00 74.13 H new ATOM 0 HA GLU A 28 7.141 4.678 5.645 1.00 43.11 H new ATOM 0 HB2 GLU A 28 5.903 6.100 7.273 1.00 53.22 H new ATOM 0 HB3 GLU A 28 4.395 5.367 6.763 1.00 53.22 H new ATOM 0 HG2 GLU A 28 5.184 3.155 7.538 1.00 52.53 H new ATOM 0 HG3 GLU A 28 6.726 3.850 7.999 1.00 52.53 H new ATOM 479 N LEU A 29 6.183 2.527 4.848 1.00 14.42 N ATOM 480 CA LEU A 29 5.714 1.279 4.239 1.00 31.25 C ATOM 481 C LEU A 29 5.427 0.207 5.304 1.00 75.14 C ATOM 482 O LEU A 29 6.238 -0.026 6.201 1.00 53.45 O ATOM 483 CB LEU A 29 6.762 0.786 3.220 1.00 5.45 C ATOM 484 CG LEU A 29 6.436 -0.528 2.473 1.00 42.44 C ATOM 485 CD1 LEU A 29 7.104 -0.547 1.100 1.00 4.35 C ATOM 486 CD2 LEU A 29 6.877 -1.750 3.280 1.00 61.32 C ATOM 0 H LEU A 29 7.133 2.479 5.216 1.00 14.42 H new ATOM 0 HA LEU A 29 4.774 1.470 3.722 1.00 31.25 H new ATOM 0 HB2 LEU A 29 6.912 1.571 2.479 1.00 5.45 H new ATOM 0 HB3 LEU A 29 7.710 0.655 3.742 1.00 5.45 H new ATOM 0 HG LEU A 29 5.355 -0.572 2.344 1.00 42.44 H new ATOM 0 HD11 LEU A 29 6.862 -1.480 0.591 1.00 4.35 H new ATOM 0 HD12 LEU A 29 6.743 0.294 0.508 1.00 4.35 H new ATOM 0 HD13 LEU A 29 8.185 -0.469 1.220 1.00 4.35 H new ATOM 0 HD21 LEU A 29 6.634 -2.658 2.728 1.00 61.32 H new ATOM 0 HD22 LEU A 29 7.953 -1.705 3.449 1.00 61.32 H new ATOM 0 HD23 LEU A 29 6.359 -1.759 4.239 1.00 61.32 H new ATOM 498 N ARG A 30 4.265 -0.437 5.197 1.00 54.31 N ATOM 499 CA ARG A 30 3.884 -1.528 6.105 1.00 33.44 C ATOM 500 C ARG A 30 3.612 -2.823 5.316 1.00 40.54 C ATOM 501 O ARG A 30 2.895 -2.815 4.311 1.00 13.22 O ATOM 502 CB ARG A 30 2.636 -1.138 6.915 1.00 53.22 C ATOM 503 CG ARG A 30 2.812 0.107 7.787 1.00 31.25 C ATOM 504 CD ARG A 30 3.853 -0.100 8.884 1.00 24.11 C ATOM 505 NE ARG A 30 3.993 1.081 9.738 1.00 41.41 N ATOM 506 CZ ARG A 30 4.540 1.071 10.923 1.00 22.54 C ATOM 507 NH1 ARG A 30 5.039 -0.012 11.420 1.00 71.21 N ATOM 508 NH2 ARG A 30 4.603 2.165 11.604 1.00 12.51 N ATOM 0 H ARG A 30 3.565 -0.223 4.487 1.00 54.31 H new ATOM 0 HA ARG A 30 4.712 -1.705 6.791 1.00 33.44 H new ATOM 0 HB2 ARG A 30 1.808 -0.970 6.226 1.00 53.22 H new ATOM 0 HB3 ARG A 30 2.355 -1.976 7.552 1.00 53.22 H new ATOM 0 HG2 ARG A 30 3.109 0.948 7.161 1.00 31.25 H new ATOM 0 HG3 ARG A 30 1.856 0.369 8.240 1.00 31.25 H new ATOM 0 HD2 ARG A 30 3.570 -0.957 9.495 1.00 24.11 H new ATOM 0 HD3 ARG A 30 4.816 -0.335 8.430 1.00 24.11 H new ATOM 0 HE ARG A 30 3.640 1.970 9.384 1.00 41.41 H new ATOM 0 HH11 ARG A 30 5.010 -0.880 10.884 1.00 71.21 H new ATOM 0 HH12 ARG A 30 5.462 0.001 12.348 1.00 71.21 H new ATOM 0 HH21 ARG A 30 4.227 3.030 11.216 1.00 12.51 H new ATOM 0 HH22 ARG A 30 5.029 2.165 12.531 1.00 12.51 H new ATOM 522 N THR A 31 4.190 -3.936 5.771 1.00 12.14 N ATOM 523 CA THR A 31 4.024 -5.231 5.093 1.00 41.23 C ATOM 524 C THR A 31 2.699 -5.911 5.461 1.00 62.13 C ATOM 525 O THR A 31 2.467 -6.267 6.617 1.00 73.24 O ATOM 526 CB THR A 31 5.184 -6.203 5.418 1.00 31.15 C ATOM 527 OG1 THR A 31 5.276 -6.423 6.836 1.00 55.32 O ATOM 528 CG2 THR A 31 6.510 -5.660 4.900 1.00 25.21 C ATOM 0 H THR A 31 4.777 -3.971 6.604 1.00 12.14 H new ATOM 0 HA THR A 31 4.026 -5.007 4.026 1.00 41.23 H new ATOM 0 HB THR A 31 4.973 -7.150 4.921 1.00 31.15 H new ATOM 0 HG1 THR A 31 4.375 -6.457 7.221 1.00 55.32 H new ATOM 0 HG21 THR A 31 7.309 -6.361 5.141 1.00 25.21 H new ATOM 0 HG22 THR A 31 6.453 -5.532 3.819 1.00 25.21 H new ATOM 0 HG23 THR A 31 6.717 -4.698 5.369 1.00 25.21 H new ATOM 536 N VAL A 32 1.844 -6.106 4.465 1.00 52.32 N ATOM 537 CA VAL A 32 0.551 -6.760 4.661 1.00 1.21 C ATOM 538 C VAL A 32 0.663 -8.279 4.456 1.00 53.30 C ATOM 539 O VAL A 32 0.935 -8.751 3.353 1.00 43.11 O ATOM 540 CB VAL A 32 -0.511 -6.191 3.693 1.00 75.12 C ATOM 541 CG1 VAL A 32 -1.850 -6.906 3.867 1.00 1.32 C ATOM 542 CG2 VAL A 32 -0.667 -4.684 3.893 1.00 24.42 C ATOM 0 H VAL A 32 2.023 -5.818 3.503 1.00 52.32 H new ATOM 0 HA VAL A 32 0.241 -6.561 5.687 1.00 1.21 H new ATOM 0 HB VAL A 32 -0.170 -6.367 2.673 1.00 75.12 H new ATOM 0 HG11 VAL A 32 -2.579 -6.486 3.174 1.00 1.32 H new ATOM 0 HG12 VAL A 32 -1.724 -7.969 3.662 1.00 1.32 H new ATOM 0 HG13 VAL A 32 -2.203 -6.773 4.890 1.00 1.32 H new ATOM 0 HG21 VAL A 32 -1.419 -4.301 3.203 1.00 24.42 H new ATOM 0 HG22 VAL A 32 -0.980 -4.483 4.918 1.00 24.42 H new ATOM 0 HG23 VAL A 32 0.286 -4.191 3.701 1.00 24.42 H new ATOM 552 N LYS A 33 0.455 -9.035 5.530 1.00 5.10 N ATOM 553 CA LYS A 33 0.566 -10.496 5.483 1.00 25.42 C ATOM 554 C LYS A 33 -0.753 -11.159 5.038 1.00 21.23 C ATOM 555 O LYS A 33 -0.748 -12.135 4.283 1.00 12.41 O ATOM 556 CB LYS A 33 0.986 -11.020 6.862 1.00 72.45 C ATOM 557 CG LYS A 33 2.261 -10.371 7.397 1.00 2.45 C ATOM 558 CD LYS A 33 2.643 -10.914 8.772 1.00 73.33 C ATOM 559 CE LYS A 33 3.884 -10.227 9.331 1.00 34.34 C ATOM 560 NZ LYS A 33 4.239 -10.722 10.687 1.00 42.34 N ATOM 0 H LYS A 33 0.208 -8.663 6.447 1.00 5.10 H new ATOM 0 HA LYS A 33 1.323 -10.755 4.743 1.00 25.42 H new ATOM 0 HB2 LYS A 33 0.175 -10.848 7.570 1.00 72.45 H new ATOM 0 HB3 LYS A 33 1.134 -12.098 6.803 1.00 72.45 H new ATOM 0 HG2 LYS A 33 3.078 -10.546 6.698 1.00 2.45 H new ATOM 0 HG3 LYS A 33 2.120 -9.292 7.459 1.00 2.45 H new ATOM 0 HD2 LYS A 33 1.810 -10.775 9.461 1.00 73.33 H new ATOM 0 HD3 LYS A 33 2.823 -11.987 8.701 1.00 73.33 H new ATOM 0 HE2 LYS A 33 4.723 -10.391 8.655 1.00 34.34 H new ATOM 0 HE3 LYS A 33 3.714 -9.151 9.372 1.00 34.34 H new ATOM 0 HZ1 LYS A 33 5.088 -10.227 11.026 1.00 42.34 H new ATOM 0 HZ2 LYS A 33 3.450 -10.542 11.340 1.00 42.34 H new ATOM 0 HZ3 LYS A 33 4.428 -11.744 10.645 1.00 42.34 H new ATOM 574 N THR A 34 -1.880 -10.636 5.524 1.00 24.00 N ATOM 575 CA THR A 34 -3.211 -11.177 5.189 1.00 43.35 C ATOM 576 C THR A 34 -4.239 -10.057 4.980 1.00 61.50 C ATOM 577 O THR A 34 -3.965 -8.887 5.256 1.00 4.01 O ATOM 578 CB THR A 34 -3.753 -12.105 6.308 1.00 75.24 C ATOM 579 OG1 THR A 34 -3.877 -11.368 7.536 1.00 53.52 O ATOM 580 CG2 THR A 34 -2.852 -13.318 6.520 1.00 42.13 C ATOM 0 H THR A 34 -1.904 -9.834 6.154 1.00 24.00 H new ATOM 0 HA THR A 34 -3.078 -11.743 4.267 1.00 43.35 H new ATOM 0 HB THR A 34 -4.732 -12.467 5.996 1.00 75.24 H new ATOM 0 HG1 THR A 34 -4.221 -11.958 8.238 1.00 53.52 H new ATOM 0 HG21 THR A 34 -3.265 -13.944 7.311 1.00 42.13 H new ATOM 0 HG22 THR A 34 -2.793 -13.893 5.596 1.00 42.13 H new ATOM 0 HG23 THR A 34 -1.854 -12.985 6.804 1.00 42.13 H new ATOM 588 N GLU A 35 -5.428 -10.425 4.497 1.00 73.15 N ATOM 589 CA GLU A 35 -6.553 -9.485 4.388 1.00 51.33 C ATOM 590 C GLU A 35 -6.832 -8.813 5.741 1.00 55.51 C ATOM 591 O GLU A 35 -7.092 -7.608 5.814 1.00 2.50 O ATOM 592 CB GLU A 35 -7.810 -10.227 3.908 1.00 11.42 C ATOM 593 CG GLU A 35 -9.045 -9.340 3.753 1.00 35.43 C ATOM 594 CD GLU A 35 -10.315 -10.128 3.457 1.00 51.34 C ATOM 595 OE1 GLU A 35 -10.213 -11.271 2.958 1.00 64.31 O ATOM 596 OE2 GLU A 35 -11.420 -9.605 3.717 1.00 62.10 O ATOM 0 H GLU A 35 -5.640 -11.369 4.174 1.00 73.15 H new ATOM 0 HA GLU A 35 -6.289 -8.714 3.664 1.00 51.33 H new ATOM 0 HB2 GLU A 35 -7.595 -10.700 2.950 1.00 11.42 H new ATOM 0 HB3 GLU A 35 -8.037 -11.026 4.614 1.00 11.42 H new ATOM 0 HG2 GLU A 35 -9.187 -8.763 4.667 1.00 35.43 H new ATOM 0 HG3 GLU A 35 -8.873 -8.625 2.948 1.00 35.43 H new ATOM 603 N ASP A 36 -6.766 -9.607 6.811 1.00 55.21 N ATOM 604 CA ASP A 36 -6.927 -9.093 8.171 1.00 43.51 C ATOM 605 C ASP A 36 -5.878 -8.011 8.480 1.00 35.35 C ATOM 606 O ASP A 36 -6.198 -6.976 9.056 1.00 0.23 O ATOM 607 CB ASP A 36 -6.827 -10.241 9.181 1.00 11.21 C ATOM 608 CG ASP A 36 -7.131 -9.794 10.600 1.00 4.13 C ATOM 609 OD1 ASP A 36 -8.326 -9.651 10.937 1.00 40.11 O ATOM 610 OD2 ASP A 36 -6.182 -9.580 11.381 1.00 13.22 O ATOM 0 H ASP A 36 -6.601 -10.612 6.761 1.00 55.21 H new ATOM 0 HA ASP A 36 -7.913 -8.636 8.251 1.00 43.51 H new ATOM 0 HB2 ASP A 36 -7.520 -11.033 8.896 1.00 11.21 H new ATOM 0 HB3 ASP A 36 -5.824 -10.667 9.144 1.00 11.21 H new ATOM 615 N GLU A 37 -4.625 -8.256 8.082 1.00 3.22 N ATOM 616 CA GLU A 37 -3.557 -7.254 8.221 1.00 13.54 C ATOM 617 C GLU A 37 -3.905 -5.964 7.463 1.00 31.21 C ATOM 618 O GLU A 37 -3.839 -4.871 8.021 1.00 15.30 O ATOM 619 CB GLU A 37 -2.219 -7.807 7.702 1.00 52.52 C ATOM 620 CG GLU A 37 -1.596 -8.882 8.587 1.00 63.21 C ATOM 621 CD GLU A 37 -1.230 -8.366 9.971 1.00 25.45 C ATOM 622 OE1 GLU A 37 -0.442 -7.399 10.066 1.00 62.31 O ATOM 623 OE2 GLU A 37 -1.736 -8.911 10.971 1.00 32.10 O ATOM 0 H GLU A 37 -4.324 -9.135 7.662 1.00 3.22 H new ATOM 0 HA GLU A 37 -3.462 -7.024 9.282 1.00 13.54 H new ATOM 0 HB2 GLU A 37 -2.372 -8.219 6.704 1.00 52.52 H new ATOM 0 HB3 GLU A 37 -1.513 -6.982 7.602 1.00 52.52 H new ATOM 0 HG2 GLU A 37 -2.294 -9.713 8.687 1.00 63.21 H new ATOM 0 HG3 GLU A 37 -0.702 -9.273 8.102 1.00 63.21 H new ATOM 630 N LEU A 38 -4.279 -6.112 6.189 1.00 23.25 N ATOM 631 CA LEU A 38 -4.673 -4.974 5.341 1.00 75.35 C ATOM 632 C LEU A 38 -5.734 -4.118 6.058 1.00 13.11 C ATOM 633 O LEU A 38 -5.580 -2.903 6.208 1.00 13.02 O ATOM 634 CB LEU A 38 -5.204 -5.514 3.990 1.00 2.13 C ATOM 635 CG LEU A 38 -5.291 -4.511 2.814 1.00 52.54 C ATOM 636 CD1 LEU A 38 -6.430 -3.515 3.004 1.00 71.24 C ATOM 637 CD2 LEU A 38 -3.963 -3.780 2.621 1.00 1.25 C ATOM 0 H LEU A 38 -4.319 -7.015 5.716 1.00 23.25 H new ATOM 0 HA LEU A 38 -3.810 -4.336 5.150 1.00 75.35 H new ATOM 0 HB2 LEU A 38 -4.565 -6.342 3.682 1.00 2.13 H new ATOM 0 HB3 LEU A 38 -6.199 -5.925 4.158 1.00 2.13 H new ATOM 0 HG LEU A 38 -5.503 -5.086 1.913 1.00 52.54 H new ATOM 0 HD11 LEU A 38 -6.458 -2.828 2.158 1.00 71.24 H new ATOM 0 HD12 LEU A 38 -7.376 -4.052 3.067 1.00 71.24 H new ATOM 0 HD13 LEU A 38 -6.271 -2.952 3.923 1.00 71.24 H new ATOM 0 HD21 LEU A 38 -4.050 -3.081 1.789 1.00 1.25 H new ATOM 0 HD22 LEU A 38 -3.713 -3.233 3.530 1.00 1.25 H new ATOM 0 HD23 LEU A 38 -3.177 -4.504 2.406 1.00 1.25 H new ATOM 649 N LYS A 39 -6.794 -4.776 6.513 1.00 64.35 N ATOM 650 CA LYS A 39 -7.849 -4.135 7.307 1.00 52.52 C ATOM 651 C LYS A 39 -7.280 -3.474 8.577 1.00 41.53 C ATOM 652 O LYS A 39 -7.550 -2.307 8.861 1.00 65.35 O ATOM 653 CB LYS A 39 -8.886 -5.192 7.699 1.00 54.01 C ATOM 654 CG LYS A 39 -9.973 -4.690 8.646 1.00 33.44 C ATOM 655 CD LYS A 39 -10.726 -5.851 9.293 1.00 33.20 C ATOM 656 CE LYS A 39 -9.803 -6.699 10.170 1.00 25.44 C ATOM 657 NZ LYS A 39 -10.453 -7.952 10.631 1.00 0.10 N ATOM 0 H LYS A 39 -6.951 -5.770 6.345 1.00 64.35 H new ATOM 0 HA LYS A 39 -8.310 -3.353 6.703 1.00 52.52 H new ATOM 0 HB2 LYS A 39 -9.358 -5.573 6.794 1.00 54.01 H new ATOM 0 HB3 LYS A 39 -8.372 -6.031 8.168 1.00 54.01 H new ATOM 0 HG2 LYS A 39 -9.524 -4.068 9.421 1.00 33.44 H new ATOM 0 HG3 LYS A 39 -10.673 -4.060 8.098 1.00 33.44 H new ATOM 0 HD2 LYS A 39 -11.547 -5.463 9.896 1.00 33.20 H new ATOM 0 HD3 LYS A 39 -11.168 -6.476 8.517 1.00 33.20 H new ATOM 0 HE2 LYS A 39 -8.901 -6.946 9.611 1.00 25.44 H new ATOM 0 HE3 LYS A 39 -9.491 -6.115 11.036 1.00 25.44 H new ATOM 0 HZ1 LYS A 39 -9.771 -8.736 10.580 1.00 0.10 H new ATOM 0 HZ2 LYS A 39 -10.774 -7.836 11.613 1.00 0.10 H new ATOM 0 HZ3 LYS A 39 -11.270 -8.163 10.023 1.00 0.10 H new ATOM 671 N LYS A 40 -6.489 -4.241 9.325 1.00 22.01 N ATOM 672 CA LYS A 40 -5.910 -3.795 10.600 1.00 34.32 C ATOM 673 C LYS A 40 -5.098 -2.497 10.433 1.00 3.32 C ATOM 674 O LYS A 40 -5.030 -1.670 11.348 1.00 41.21 O ATOM 675 CB LYS A 40 -5.045 -4.933 11.180 1.00 53.35 C ATOM 676 CG LYS A 40 -4.426 -4.663 12.557 1.00 74.11 C ATOM 677 CD LYS A 40 -3.031 -4.040 12.465 1.00 73.31 C ATOM 678 CE LYS A 40 -2.070 -4.911 11.657 1.00 62.34 C ATOM 679 NZ LYS A 40 -1.943 -6.283 12.216 1.00 35.20 N ATOM 0 H LYS A 40 -6.228 -5.193 9.067 1.00 22.01 H new ATOM 0 HA LYS A 40 -6.716 -3.565 11.297 1.00 34.32 H new ATOM 0 HB2 LYS A 40 -5.658 -5.832 11.248 1.00 53.35 H new ATOM 0 HB3 LYS A 40 -4.241 -5.148 10.476 1.00 53.35 H new ATOM 0 HG2 LYS A 40 -5.080 -3.998 13.121 1.00 74.11 H new ATOM 0 HG3 LYS A 40 -4.366 -5.598 13.114 1.00 74.11 H new ATOM 0 HD2 LYS A 40 -3.103 -3.055 12.004 1.00 73.31 H new ATOM 0 HD3 LYS A 40 -2.632 -3.894 13.469 1.00 73.31 H new ATOM 0 HE2 LYS A 40 -2.419 -4.972 10.626 1.00 62.34 H new ATOM 0 HE3 LYS A 40 -1.088 -4.439 11.634 1.00 62.34 H new ATOM 0 HZ1 LYS A 40 -1.082 -6.731 11.843 1.00 35.20 H new ATOM 0 HZ2 LYS A 40 -1.885 -6.231 13.253 1.00 35.20 H new ATOM 0 HZ3 LYS A 40 -2.773 -6.847 11.943 1.00 35.20 H new ATOM 693 N TYR A 41 -4.480 -2.321 9.270 1.00 52.52 N ATOM 694 CA TYR A 41 -3.780 -1.071 8.960 1.00 61.11 C ATOM 695 C TYR A 41 -4.781 0.049 8.627 1.00 35.20 C ATOM 696 O TYR A 41 -4.687 1.158 9.156 1.00 74.04 O ATOM 697 CB TYR A 41 -2.796 -1.269 7.799 1.00 14.11 C ATOM 698 CG TYR A 41 -1.691 -2.267 8.101 1.00 14.24 C ATOM 699 CD1 TYR A 41 -0.922 -2.153 9.255 1.00 53.34 C ATOM 700 CD2 TYR A 41 -1.417 -3.320 7.235 1.00 55.44 C ATOM 701 CE1 TYR A 41 0.082 -3.058 9.536 1.00 12.41 C ATOM 702 CE2 TYR A 41 -0.413 -4.229 7.511 1.00 1.15 C ATOM 703 CZ TYR A 41 0.331 -4.095 8.663 1.00 73.25 C ATOM 704 OH TYR A 41 1.330 -5.000 8.944 1.00 33.05 O ATOM 0 H TYR A 41 -4.447 -3.020 8.528 1.00 52.52 H new ATOM 0 HA TYR A 41 -3.215 -0.776 9.844 1.00 61.11 H new ATOM 0 HB2 TYR A 41 -3.347 -1.605 6.920 1.00 14.11 H new ATOM 0 HB3 TYR A 41 -2.347 -0.308 7.546 1.00 14.11 H new ATOM 0 HD1 TYR A 41 -1.114 -1.343 9.943 1.00 53.34 H new ATOM 0 HD2 TYR A 41 -1.999 -3.429 6.332 1.00 55.44 H new ATOM 0 HE1 TYR A 41 0.670 -2.954 10.436 1.00 12.41 H new ATOM 0 HE2 TYR A 41 -0.213 -5.040 6.827 1.00 1.15 H new ATOM 0 HH TYR A 41 1.662 -5.391 8.109 1.00 33.05 H new ATOM 714 N LEU A 42 -5.753 -0.260 7.765 1.00 63.23 N ATOM 715 CA LEU A 42 -6.771 0.719 7.356 1.00 42.13 C ATOM 716 C LEU A 42 -7.550 1.283 8.556 1.00 75.03 C ATOM 717 O LEU A 42 -7.782 2.490 8.639 1.00 35.53 O ATOM 718 CB LEU A 42 -7.756 0.092 6.362 1.00 62.31 C ATOM 719 CG LEU A 42 -7.169 -0.304 4.998 1.00 61.23 C ATOM 720 CD1 LEU A 42 -8.266 -0.859 4.091 1.00 21.53 C ATOM 721 CD2 LEU A 42 -6.472 0.887 4.342 1.00 74.43 C ATOM 0 H LEU A 42 -5.859 -1.179 7.335 1.00 63.23 H new ATOM 0 HA LEU A 42 -6.240 1.543 6.879 1.00 42.13 H new ATOM 0 HB2 LEU A 42 -8.190 -0.796 6.821 1.00 62.31 H new ATOM 0 HB3 LEU A 42 -8.572 0.796 6.195 1.00 62.31 H new ATOM 0 HG LEU A 42 -6.424 -1.084 5.155 1.00 61.23 H new ATOM 0 HD11 LEU A 42 -7.837 -1.136 3.128 1.00 21.53 H new ATOM 0 HD12 LEU A 42 -8.712 -1.738 4.556 1.00 21.53 H new ATOM 0 HD13 LEU A 42 -9.033 -0.099 3.941 1.00 21.53 H new ATOM 0 HD21 LEU A 42 -6.064 0.584 3.378 1.00 74.43 H new ATOM 0 HD22 LEU A 42 -7.191 1.693 4.195 1.00 74.43 H new ATOM 0 HD23 LEU A 42 -5.663 1.235 4.985 1.00 74.43 H new ATOM 733 N GLU A 43 -7.956 0.412 9.481 1.00 15.32 N ATOM 734 CA GLU A 43 -8.716 0.841 10.662 1.00 31.33 C ATOM 735 C GLU A 43 -7.907 1.820 11.529 1.00 71.30 C ATOM 736 O GLU A 43 -8.473 2.722 12.151 1.00 11.25 O ATOM 737 CB GLU A 43 -9.172 -0.371 11.492 1.00 63.43 C ATOM 738 CG GLU A 43 -10.132 -1.294 10.741 1.00 51.43 C ATOM 739 CD GLU A 43 -10.780 -2.341 11.638 1.00 55.10 C ATOM 740 OE1 GLU A 43 -10.157 -3.390 11.892 1.00 54.44 O ATOM 741 OE2 GLU A 43 -11.922 -2.115 12.098 1.00 22.21 O ATOM 0 H GLU A 43 -7.774 -0.591 9.438 1.00 15.32 H new ATOM 0 HA GLU A 43 -9.602 1.367 10.307 1.00 31.33 H new ATOM 0 HB2 GLU A 43 -8.296 -0.942 11.799 1.00 63.43 H new ATOM 0 HB3 GLU A 43 -9.657 -0.017 12.402 1.00 63.43 H new ATOM 0 HG2 GLU A 43 -10.912 -0.693 10.272 1.00 51.43 H new ATOM 0 HG3 GLU A 43 -9.591 -1.796 9.939 1.00 51.43 H new ATOM 748 N GLU A 44 -6.585 1.646 11.559 1.00 44.34 N ATOM 749 CA GLU A 44 -5.694 2.592 12.245 1.00 10.21 C ATOM 750 C GLU A 44 -5.611 3.917 11.466 1.00 40.45 C ATOM 751 O GLU A 44 -5.730 5.001 12.042 1.00 71.44 O ATOM 752 CB GLU A 44 -4.294 1.978 12.408 1.00 52.53 C ATOM 753 CG GLU A 44 -3.313 2.829 13.219 1.00 53.22 C ATOM 754 CD GLU A 44 -3.704 2.980 14.688 1.00 43.11 C ATOM 755 OE1 GLU A 44 -4.140 1.980 15.306 1.00 5.13 O ATOM 756 OE2 GLU A 44 -3.540 4.088 15.243 1.00 62.53 O ATOM 0 H GLU A 44 -6.105 0.861 11.118 1.00 44.34 H new ATOM 0 HA GLU A 44 -6.103 2.800 13.234 1.00 10.21 H new ATOM 0 HB2 GLU A 44 -4.393 1.005 12.888 1.00 52.53 H new ATOM 0 HB3 GLU A 44 -3.871 1.804 11.419 1.00 52.53 H new ATOM 0 HG2 GLU A 44 -2.321 2.381 13.160 1.00 53.22 H new ATOM 0 HG3 GLU A 44 -3.243 3.818 12.767 1.00 53.22 H new ATOM 763 N PHE A 45 -5.434 3.818 10.147 1.00 35.24 N ATOM 764 CA PHE A 45 -5.378 5.000 9.273 1.00 54.41 C ATOM 765 C PHE A 45 -6.693 5.799 9.308 1.00 72.25 C ATOM 766 O PHE A 45 -6.694 7.017 9.134 1.00 73.34 O ATOM 767 CB PHE A 45 -5.057 4.584 7.829 1.00 24.20 C ATOM 768 CG PHE A 45 -3.713 3.914 7.664 1.00 42.15 C ATOM 769 CD1 PHE A 45 -2.610 4.344 8.388 1.00 15.05 C ATOM 770 CD2 PHE A 45 -3.556 2.855 6.780 1.00 1.11 C ATOM 771 CE1 PHE A 45 -1.382 3.732 8.234 1.00 2.03 C ATOM 772 CE2 PHE A 45 -2.329 2.242 6.623 1.00 24.43 C ATOM 773 CZ PHE A 45 -1.241 2.681 7.350 1.00 32.34 C ATOM 0 H PHE A 45 -5.326 2.930 9.656 1.00 35.24 H new ATOM 0 HA PHE A 45 -4.584 5.645 9.648 1.00 54.41 H new ATOM 0 HB2 PHE A 45 -5.834 3.906 7.476 1.00 24.20 H new ATOM 0 HB3 PHE A 45 -5.091 5.468 7.192 1.00 24.20 H new ATOM 0 HD1 PHE A 45 -2.713 5.167 9.080 1.00 15.05 H new ATOM 0 HD2 PHE A 45 -4.404 2.507 6.209 1.00 1.11 H new ATOM 0 HE1 PHE A 45 -0.532 4.075 8.805 1.00 2.03 H new ATOM 0 HE2 PHE A 45 -2.221 1.419 5.932 1.00 24.43 H new ATOM 0 HZ PHE A 45 -0.280 2.203 7.227 1.00 32.34 H new ATOM 783 N ARG A 46 -7.808 5.106 9.542 1.00 71.32 N ATOM 784 CA ARG A 46 -9.128 5.750 9.664 1.00 41.13 C ATOM 785 C ARG A 46 -9.154 6.801 10.789 1.00 24.32 C ATOM 786 O ARG A 46 -9.962 7.731 10.766 1.00 74.13 O ATOM 787 CB ARG A 46 -10.215 4.688 9.895 1.00 42.45 C ATOM 788 CG ARG A 46 -10.654 3.965 8.621 1.00 42.11 C ATOM 789 CD ARG A 46 -11.540 2.756 8.916 1.00 73.22 C ATOM 790 NE ARG A 46 -12.599 3.054 9.876 1.00 3.51 N ATOM 791 CZ ARG A 46 -13.346 2.150 10.452 1.00 45.14 C ATOM 792 NH1 ARG A 46 -13.235 0.896 10.144 1.00 33.45 N ATOM 793 NH2 ARG A 46 -14.219 2.513 11.330 1.00 60.22 N ATOM 0 H ARG A 46 -7.829 4.092 9.652 1.00 71.32 H new ATOM 0 HA ARG A 46 -9.329 6.272 8.728 1.00 41.13 H new ATOM 0 HB2 ARG A 46 -9.845 3.953 10.609 1.00 42.45 H new ATOM 0 HB3 ARG A 46 -11.084 5.164 10.349 1.00 42.45 H new ATOM 0 HG2 ARG A 46 -11.195 4.661 7.979 1.00 42.11 H new ATOM 0 HG3 ARG A 46 -9.773 3.640 8.068 1.00 42.11 H new ATOM 0 HD2 ARG A 46 -11.987 2.403 7.987 1.00 73.22 H new ATOM 0 HD3 ARG A 46 -10.923 1.944 9.302 1.00 73.22 H new ATOM 0 HE ARG A 46 -12.767 4.032 10.112 1.00 3.51 H new ATOM 0 HH11 ARG A 46 -12.556 0.601 9.442 1.00 33.45 H new ATOM 0 HH12 ARG A 46 -13.826 0.204 10.604 1.00 33.45 H new ATOM 0 HH21 ARG A 46 -14.322 3.499 11.570 1.00 60.22 H new ATOM 0 HH22 ARG A 46 -14.806 1.814 11.785 1.00 60.22 H new ATOM 807 N LYS A 47 -8.268 6.652 11.769 1.00 34.05 N ATOM 808 CA LYS A 47 -8.131 7.639 12.844 1.00 30.52 C ATOM 809 C LYS A 47 -7.599 8.974 12.297 1.00 24.51 C ATOM 810 O LYS A 47 -7.973 10.047 12.774 1.00 63.53 O ATOM 811 CB LYS A 47 -7.191 7.104 13.935 1.00 4.31 C ATOM 812 CG LYS A 47 -7.711 5.851 14.637 1.00 65.53 C ATOM 813 CD LYS A 47 -6.676 5.256 15.591 1.00 5.12 C ATOM 814 CE LYS A 47 -6.213 6.259 16.645 1.00 52.25 C ATOM 815 NZ LYS A 47 -7.345 6.797 17.444 1.00 60.31 N ATOM 0 H LYS A 47 -7.632 5.858 11.844 1.00 34.05 H new ATOM 0 HA LYS A 47 -9.116 7.814 13.276 1.00 30.52 H new ATOM 0 HB2 LYS A 47 -6.221 6.883 13.489 1.00 4.31 H new ATOM 0 HB3 LYS A 47 -7.030 7.885 14.678 1.00 4.31 H new ATOM 0 HG2 LYS A 47 -8.616 6.096 15.192 1.00 65.53 H new ATOM 0 HG3 LYS A 47 -7.987 5.106 13.891 1.00 65.53 H new ATOM 0 HD2 LYS A 47 -7.101 4.383 16.086 1.00 5.12 H new ATOM 0 HD3 LYS A 47 -5.815 4.910 15.019 1.00 5.12 H new ATOM 0 HE2 LYS A 47 -5.496 5.779 17.311 1.00 52.25 H new ATOM 0 HE3 LYS A 47 -5.692 7.082 16.156 1.00 52.25 H new ATOM 0 HZ1 LYS A 47 -6.975 7.380 18.221 1.00 60.31 H new ATOM 0 HZ2 LYS A 47 -7.955 7.379 16.834 1.00 60.31 H new ATOM 0 HZ3 LYS A 47 -7.899 6.009 17.836 1.00 60.31 H new ATOM 829 N GLU A 48 -6.734 8.896 11.284 1.00 34.24 N ATOM 830 CA GLU A 48 -6.135 10.084 10.667 1.00 14.44 C ATOM 831 C GLU A 48 -6.825 10.415 9.331 1.00 73.44 C ATOM 832 O GLU A 48 -6.246 11.081 8.471 1.00 71.32 O ATOM 833 CB GLU A 48 -4.634 9.841 10.429 1.00 64.32 C ATOM 834 CG GLU A 48 -3.885 9.269 11.635 1.00 50.00 C ATOM 835 CD GLU A 48 -3.925 10.174 12.858 1.00 23.24 C ATOM 836 OE1 GLU A 48 -4.861 10.044 13.673 1.00 41.44 O ATOM 837 OE2 GLU A 48 -3.006 11.010 13.023 1.00 60.24 O ATOM 0 H GLU A 48 -6.430 8.015 10.870 1.00 34.24 H new ATOM 0 HA GLU A 48 -6.268 10.929 11.342 1.00 14.44 H new ATOM 0 HB2 GLU A 48 -4.518 9.158 9.588 1.00 64.32 H new ATOM 0 HB3 GLU A 48 -4.167 10.783 10.141 1.00 64.32 H new ATOM 0 HG2 GLU A 48 -4.315 8.301 11.894 1.00 50.00 H new ATOM 0 HG3 GLU A 48 -2.846 9.092 11.357 1.00 50.00 H new ATOM 844 N SER A 49 -8.085 9.987 9.183 1.00 31.15 N ATOM 845 CA SER A 49 -8.835 10.122 7.912 1.00 32.01 C ATOM 846 C SER A 49 -9.186 11.581 7.554 1.00 40.23 C ATOM 847 O SER A 49 -10.091 11.835 6.759 1.00 43.04 O ATOM 848 CB SER A 49 -10.123 9.286 7.970 1.00 42.21 C ATOM 849 OG SER A 49 -10.941 9.670 9.066 1.00 4.10 O ATOM 0 H SER A 49 -8.616 9.540 9.930 1.00 31.15 H new ATOM 0 HA SER A 49 -8.173 9.755 7.128 1.00 32.01 H new ATOM 0 HB2 SER A 49 -10.679 9.406 7.040 1.00 42.21 H new ATOM 0 HB3 SER A 49 -9.869 8.229 8.056 1.00 42.21 H new ATOM 0 HG SER A 49 -10.758 9.086 9.831 1.00 4.10 H new ATOM 855 N GLN A 50 -8.461 12.538 8.124 1.00 14.35 N ATOM 856 CA GLN A 50 -8.642 13.948 7.785 1.00 54.45 C ATOM 857 C GLN A 50 -7.813 14.321 6.546 1.00 62.33 C ATOM 858 O GLN A 50 -8.339 14.865 5.575 1.00 10.33 O ATOM 859 CB GLN A 50 -8.245 14.828 8.978 1.00 13.31 C ATOM 860 CG GLN A 50 -9.033 14.535 10.250 1.00 15.10 C ATOM 861 CD GLN A 50 -10.519 14.825 10.106 1.00 65.52 C ATOM 862 OE1 GLN A 50 -10.971 15.935 10.360 1.00 52.24 O ATOM 863 NE2 GLN A 50 -11.289 13.836 9.702 1.00 42.34 N ATOM 0 H GLN A 50 -7.741 12.364 8.825 1.00 14.35 H new ATOM 0 HA GLN A 50 -9.694 14.118 7.553 1.00 54.45 H new ATOM 0 HB2 GLN A 50 -7.183 14.691 9.181 1.00 13.31 H new ATOM 0 HB3 GLN A 50 -8.386 15.875 8.708 1.00 13.31 H new ATOM 0 HG2 GLN A 50 -8.897 13.488 10.523 1.00 15.10 H new ATOM 0 HG3 GLN A 50 -8.629 15.132 11.067 1.00 15.10 H new ATOM 0 HE21 GLN A 50 -10.882 12.923 9.498 1.00 42.34 H new ATOM 0 HE22 GLN A 50 -12.292 13.983 9.593 1.00 42.34 H new ATOM 872 N ASN A 51 -6.515 14.010 6.582 1.00 14.43 N ATOM 873 CA ASN A 51 -5.602 14.347 5.479 1.00 34.22 C ATOM 874 C ASN A 51 -4.686 13.158 5.124 1.00 42.54 C ATOM 875 O ASN A 51 -3.476 13.329 4.969 1.00 52.22 O ATOM 876 CB ASN A 51 -4.728 15.552 5.868 1.00 20.44 C ATOM 877 CG ASN A 51 -5.497 16.641 6.596 1.00 44.41 C ATOM 878 OD1 ASN A 51 -6.055 17.550 5.987 1.00 14.24 O ATOM 879 ND2 ASN A 51 -5.527 16.562 7.911 1.00 4.20 N ATOM 0 H ASN A 51 -6.070 13.526 7.361 1.00 14.43 H new ATOM 0 HA ASN A 51 -6.212 14.591 4.609 1.00 34.22 H new ATOM 0 HB2 ASN A 51 -3.910 15.209 6.501 1.00 20.44 H new ATOM 0 HB3 ASN A 51 -4.280 15.973 4.968 1.00 20.44 H new ATOM 0 HD21 ASN A 51 -6.024 17.269 8.453 1.00 4.20 H new ATOM 0 HD22 ASN A 51 -5.053 15.794 8.387 1.00 4.20 H new ATOM 886 N ILE A 52 -5.255 11.962 4.980 1.00 62.43 N ATOM 887 CA ILE A 52 -4.445 10.763 4.713 1.00 54.20 C ATOM 888 C ILE A 52 -4.851 10.052 3.406 1.00 53.15 C ATOM 889 O ILE A 52 -6.034 9.964 3.067 1.00 45.51 O ATOM 890 CB ILE A 52 -4.528 9.753 5.891 1.00 33.21 C ATOM 891 CG1 ILE A 52 -3.494 8.626 5.714 1.00 60.15 C ATOM 892 CG2 ILE A 52 -5.937 9.171 6.006 1.00 21.24 C ATOM 893 CD1 ILE A 52 -3.435 7.660 6.879 1.00 5.12 C ATOM 0 H ILE A 52 -6.259 11.793 5.042 1.00 62.43 H new ATOM 0 HA ILE A 52 -3.419 11.113 4.604 1.00 54.20 H new ATOM 0 HB ILE A 52 -4.301 10.288 6.813 1.00 33.21 H new ATOM 0 HG12 ILE A 52 -3.728 8.071 4.806 1.00 60.15 H new ATOM 0 HG13 ILE A 52 -2.508 9.069 5.572 1.00 60.15 H new ATOM 0 HG21 ILE A 52 -5.973 8.466 6.837 1.00 21.24 H new ATOM 0 HG22 ILE A 52 -6.650 9.976 6.182 1.00 21.24 H new ATOM 0 HG23 ILE A 52 -6.194 8.655 5.081 1.00 21.24 H new ATOM 0 HD11 ILE A 52 -2.684 6.895 6.680 1.00 5.12 H new ATOM 0 HD12 ILE A 52 -3.170 8.201 7.787 1.00 5.12 H new ATOM 0 HD13 ILE A 52 -4.408 7.187 7.009 1.00 5.12 H new ATOM 905 N LYS A 53 -3.850 9.565 2.668 1.00 51.12 N ATOM 906 CA LYS A 53 -4.075 8.720 1.486 1.00 24.43 C ATOM 907 C LYS A 53 -3.086 7.543 1.496 1.00 13.35 C ATOM 908 O LYS A 53 -1.932 7.693 1.906 1.00 23.10 O ATOM 909 CB LYS A 53 -3.916 9.523 0.182 1.00 15.21 C ATOM 910 CG LYS A 53 -4.620 10.878 0.193 1.00 4.41 C ATOM 911 CD LYS A 53 -4.812 11.449 -1.211 1.00 33.43 C ATOM 912 CE LYS A 53 -5.804 10.621 -2.023 1.00 20.51 C ATOM 913 NZ LYS A 53 -6.214 11.301 -3.283 1.00 24.25 N ATOM 0 H LYS A 53 -2.866 9.742 2.869 1.00 51.12 H new ATOM 0 HA LYS A 53 -5.097 8.344 1.528 1.00 24.43 H new ATOM 0 HB2 LYS A 53 -2.854 9.679 -0.008 1.00 15.21 H new ATOM 0 HB3 LYS A 53 -4.305 8.931 -0.646 1.00 15.21 H new ATOM 0 HG2 LYS A 53 -5.592 10.775 0.676 1.00 4.41 H new ATOM 0 HG3 LYS A 53 -4.040 11.580 0.791 1.00 4.41 H new ATOM 0 HD2 LYS A 53 -5.167 12.477 -1.141 1.00 33.43 H new ATOM 0 HD3 LYS A 53 -3.852 11.477 -1.727 1.00 33.43 H new ATOM 0 HE2 LYS A 53 -5.357 9.656 -2.263 1.00 20.51 H new ATOM 0 HE3 LYS A 53 -6.688 10.421 -1.417 1.00 20.51 H new ATOM 0 HZ1 LYS A 53 -6.645 10.608 -3.927 1.00 24.25 H new ATOM 0 HZ2 LYS A 53 -6.905 12.047 -3.066 1.00 24.25 H new ATOM 0 HZ3 LYS A 53 -5.379 11.724 -3.737 1.00 24.25 H new ATOM 927 N VAL A 54 -3.536 6.371 1.055 1.00 72.10 N ATOM 928 CA VAL A 54 -2.699 5.164 1.094 1.00 53.34 C ATOM 929 C VAL A 54 -2.510 4.540 -0.300 1.00 31.45 C ATOM 930 O VAL A 54 -3.457 4.412 -1.079 1.00 44.54 O ATOM 931 CB VAL A 54 -3.301 4.100 2.050 1.00 1.25 C ATOM 932 CG1 VAL A 54 -2.415 2.856 2.118 1.00 15.21 C ATOM 933 CG2 VAL A 54 -3.519 4.687 3.446 1.00 70.21 C ATOM 0 H VAL A 54 -4.469 6.227 0.668 1.00 72.10 H new ATOM 0 HA VAL A 54 -1.723 5.479 1.464 1.00 53.34 H new ATOM 0 HB VAL A 54 -4.269 3.800 1.650 1.00 1.25 H new ATOM 0 HG11 VAL A 54 -2.862 2.128 2.795 1.00 15.21 H new ATOM 0 HG12 VAL A 54 -2.324 2.419 1.124 1.00 15.21 H new ATOM 0 HG13 VAL A 54 -1.426 3.133 2.484 1.00 15.21 H new ATOM 0 HG21 VAL A 54 -3.942 3.924 4.100 1.00 70.21 H new ATOM 0 HG22 VAL A 54 -2.565 5.025 3.852 1.00 70.21 H new ATOM 0 HG23 VAL A 54 -4.206 5.531 3.383 1.00 70.21 H new ATOM 943 N LEU A 55 -1.273 4.165 -0.611 1.00 75.44 N ATOM 944 CA LEU A 55 -0.964 3.425 -1.836 1.00 2.32 C ATOM 945 C LEU A 55 -0.854 1.924 -1.533 1.00 30.11 C ATOM 946 O LEU A 55 -0.026 1.508 -0.724 1.00 14.30 O ATOM 947 CB LEU A 55 0.351 3.931 -2.444 1.00 24.51 C ATOM 948 CG LEU A 55 0.780 3.240 -3.750 1.00 41.24 C ATOM 949 CD1 LEU A 55 -0.173 3.583 -4.892 1.00 72.33 C ATOM 950 CD2 LEU A 55 2.218 3.608 -4.106 1.00 34.23 C ATOM 0 H LEU A 55 -0.460 4.362 -0.028 1.00 75.44 H new ATOM 0 HA LEU A 55 -1.770 3.585 -2.552 1.00 2.32 H new ATOM 0 HB2 LEU A 55 0.257 5.001 -2.632 1.00 24.51 H new ATOM 0 HB3 LEU A 55 1.145 3.805 -1.708 1.00 24.51 H new ATOM 0 HG LEU A 55 0.734 2.162 -3.594 1.00 41.24 H new ATOM 0 HD11 LEU A 55 0.155 3.081 -5.802 1.00 72.33 H new ATOM 0 HD12 LEU A 55 -1.180 3.252 -4.637 1.00 72.33 H new ATOM 0 HD13 LEU A 55 -0.175 4.661 -5.053 1.00 72.33 H new ATOM 0 HD21 LEU A 55 2.502 3.109 -5.033 1.00 34.23 H new ATOM 0 HD22 LEU A 55 2.296 4.687 -4.236 1.00 34.23 H new ATOM 0 HD23 LEU A 55 2.884 3.290 -3.304 1.00 34.23 H new ATOM 962 N ILE A 56 -1.689 1.113 -2.176 1.00 61.53 N ATOM 963 CA ILE A 56 -1.710 -0.332 -1.920 1.00 42.34 C ATOM 964 C ILE A 56 -1.163 -1.129 -3.116 1.00 24.34 C ATOM 965 O ILE A 56 -1.742 -1.116 -4.205 1.00 71.43 O ATOM 966 CB ILE A 56 -3.145 -0.823 -1.591 1.00 43.21 C ATOM 967 CG1 ILE A 56 -3.724 -0.033 -0.403 1.00 24.25 C ATOM 968 CG2 ILE A 56 -3.144 -2.324 -1.291 1.00 11.14 C ATOM 969 CD1 ILE A 56 -5.145 -0.419 -0.042 1.00 44.34 C ATOM 0 H ILE A 56 -2.360 1.426 -2.877 1.00 61.53 H new ATOM 0 HA ILE A 56 -1.065 -0.506 -1.059 1.00 42.34 H new ATOM 0 HB ILE A 56 -3.778 -0.649 -2.461 1.00 43.21 H new ATOM 0 HG12 ILE A 56 -3.085 -0.184 0.467 1.00 24.25 H new ATOM 0 HG13 ILE A 56 -3.696 1.031 -0.639 1.00 24.25 H new ATOM 0 HG21 ILE A 56 -4.159 -2.650 -1.063 1.00 11.14 H new ATOM 0 HG22 ILE A 56 -2.775 -2.869 -2.160 1.00 11.14 H new ATOM 0 HG23 ILE A 56 -2.498 -2.524 -0.436 1.00 11.14 H new ATOM 0 HD11 ILE A 56 -5.481 0.181 0.803 1.00 44.34 H new ATOM 0 HD12 ILE A 56 -5.798 -0.241 -0.896 1.00 44.34 H new ATOM 0 HD13 ILE A 56 -5.178 -1.475 0.227 1.00 44.34 H new ATOM 981 N LEU A 57 -0.044 -1.820 -2.902 1.00 4.02 N ATOM 982 CA LEU A 57 0.554 -2.680 -3.931 1.00 55.10 C ATOM 983 C LEU A 57 0.184 -4.144 -3.665 1.00 12.14 C ATOM 984 O LEU A 57 0.579 -4.719 -2.651 1.00 33.12 O ATOM 985 CB LEU A 57 2.088 -2.521 -3.965 1.00 63.23 C ATOM 986 CG LEU A 57 2.621 -1.179 -4.509 1.00 5.42 C ATOM 987 CD1 LEU A 57 2.065 -0.897 -5.903 1.00 60.24 C ATOM 988 CD2 LEU A 57 2.309 -0.029 -3.554 1.00 62.43 C ATOM 0 H LEU A 57 0.471 -1.803 -2.022 1.00 4.02 H new ATOM 0 HA LEU A 57 0.160 -2.377 -4.901 1.00 55.10 H new ATOM 0 HB2 LEU A 57 2.469 -2.656 -2.953 1.00 63.23 H new ATOM 0 HB3 LEU A 57 2.503 -3.326 -4.572 1.00 63.23 H new ATOM 0 HG LEU A 57 3.705 -1.260 -4.586 1.00 5.42 H new ATOM 0 HD11 LEU A 57 2.455 0.054 -6.265 1.00 60.24 H new ATOM 0 HD12 LEU A 57 2.365 -1.694 -6.583 1.00 60.24 H new ATOM 0 HD13 LEU A 57 0.977 -0.849 -5.858 1.00 60.24 H new ATOM 0 HD21 LEU A 57 2.698 0.902 -3.966 1.00 62.43 H new ATOM 0 HD22 LEU A 57 1.230 0.054 -3.425 1.00 62.43 H new ATOM 0 HD23 LEU A 57 2.776 -0.221 -2.588 1.00 62.43 H new ATOM 1000 N VAL A 58 -0.575 -4.740 -4.574 1.00 62.03 N ATOM 1001 CA VAL A 58 -1.090 -6.095 -4.379 1.00 22.31 C ATOM 1002 C VAL A 58 -0.421 -7.111 -5.318 1.00 33.43 C ATOM 1003 O VAL A 58 0.031 -6.770 -6.414 1.00 53.30 O ATOM 1004 CB VAL A 58 -2.624 -6.134 -4.595 1.00 25.43 C ATOM 1005 CG1 VAL A 58 -3.336 -5.190 -3.624 1.00 13.41 C ATOM 1006 CG2 VAL A 58 -2.973 -5.784 -6.038 1.00 52.52 C ATOM 0 H VAL A 58 -0.850 -4.309 -5.456 1.00 62.03 H new ATOM 0 HA VAL A 58 -0.855 -6.374 -3.352 1.00 22.31 H new ATOM 0 HB VAL A 58 -2.968 -7.149 -4.395 1.00 25.43 H new ATOM 0 HG11 VAL A 58 -4.411 -5.235 -3.795 1.00 13.41 H new ATOM 0 HG12 VAL A 58 -3.119 -5.491 -2.599 1.00 13.41 H new ATOM 0 HG13 VAL A 58 -2.986 -4.170 -3.785 1.00 13.41 H new ATOM 0 HG21 VAL A 58 -4.055 -5.817 -6.169 1.00 52.52 H new ATOM 0 HG22 VAL A 58 -2.610 -4.782 -6.267 1.00 52.52 H new ATOM 0 HG23 VAL A 58 -2.504 -6.502 -6.710 1.00 52.52 H new ATOM 1016 N SER A 59 -0.366 -8.360 -4.869 1.00 12.33 N ATOM 1017 CA SER A 59 0.196 -9.460 -5.662 1.00 55.04 C ATOM 1018 C SER A 59 -0.786 -9.936 -6.745 1.00 21.52 C ATOM 1019 O SER A 59 -0.459 -9.968 -7.933 1.00 73.31 O ATOM 1020 CB SER A 59 0.537 -10.637 -4.739 1.00 73.11 C ATOM 1021 OG SER A 59 -0.618 -11.070 -4.031 1.00 33.42 O ATOM 0 H SER A 59 -0.707 -8.643 -3.950 1.00 12.33 H new ATOM 0 HA SER A 59 1.096 -9.091 -6.154 1.00 55.04 H new ATOM 0 HB2 SER A 59 0.940 -11.462 -5.327 1.00 73.11 H new ATOM 0 HB3 SER A 59 1.312 -10.340 -4.033 1.00 73.11 H new ATOM 0 HG SER A 59 -0.382 -11.822 -3.449 1.00 33.42 H new ATOM 1027 N ASN A 60 -1.990 -10.323 -6.319 1.00 0.40 N ATOM 1028 CA ASN A 60 -3.005 -10.885 -7.225 1.00 22.44 C ATOM 1029 C ASN A 60 -4.204 -9.938 -7.405 1.00 62.22 C ATOM 1030 O ASN A 60 -4.428 -9.044 -6.589 1.00 75.54 O ATOM 1031 CB ASN A 60 -3.503 -12.222 -6.666 1.00 0.13 C ATOM 1032 CG ASN A 60 -2.375 -13.199 -6.402 1.00 51.30 C ATOM 1033 OD1 ASN A 60 -1.395 -13.253 -7.141 1.00 42.15 O ATOM 1034 ND2 ASN A 60 -2.497 -13.969 -5.340 1.00 21.32 N ATOM 0 H ASN A 60 -2.291 -10.259 -5.347 1.00 0.40 H new ATOM 0 HA ASN A 60 -2.537 -11.026 -8.199 1.00 22.44 H new ATOM 0 HB2 ASN A 60 -4.049 -12.044 -5.739 1.00 0.13 H new ATOM 0 HB3 ASN A 60 -4.207 -12.667 -7.370 1.00 0.13 H new ATOM 0 HD21 ASN A 60 -1.763 -14.638 -5.108 1.00 21.32 H new ATOM 0 HD22 ASN A 60 -3.325 -13.896 -4.750 1.00 21.32 H new ATOM 1041 N ASP A 61 -4.983 -10.152 -8.469 1.00 64.54 N ATOM 1042 CA ASP A 61 -6.215 -9.382 -8.695 1.00 11.14 C ATOM 1043 C ASP A 61 -7.230 -9.625 -7.564 1.00 42.30 C ATOM 1044 O ASP A 61 -8.031 -8.750 -7.230 1.00 62.51 O ATOM 1045 CB ASP A 61 -6.828 -9.751 -10.047 1.00 64.54 C ATOM 1046 CG ASP A 61 -5.874 -9.474 -11.193 1.00 52.03 C ATOM 1047 OD1 ASP A 61 -5.014 -10.334 -11.476 1.00 74.54 O ATOM 1048 OD2 ASP A 61 -5.956 -8.386 -11.802 1.00 50.20 O ATOM 0 H ASP A 61 -4.786 -10.849 -9.187 1.00 64.54 H new ATOM 0 HA ASP A 61 -5.960 -8.322 -8.700 1.00 11.14 H new ATOM 0 HB2 ASP A 61 -7.099 -10.807 -10.047 1.00 64.54 H new ATOM 0 HB3 ASP A 61 -7.748 -9.186 -10.195 1.00 64.54 H new ATOM 1053 N GLU A 62 -7.181 -10.819 -6.979 1.00 75.14 N ATOM 1054 CA GLU A 62 -7.982 -11.139 -5.794 1.00 71.30 C ATOM 1055 C GLU A 62 -7.607 -10.209 -4.629 1.00 71.32 C ATOM 1056 O GLU A 62 -8.466 -9.558 -4.034 1.00 42.23 O ATOM 1057 CB GLU A 62 -7.765 -12.608 -5.405 1.00 3.34 C ATOM 1058 CG GLU A 62 -8.496 -13.035 -4.137 1.00 44.05 C ATOM 1059 CD GLU A 62 -8.348 -14.520 -3.853 1.00 21.32 C ATOM 1060 OE1 GLU A 62 -7.312 -14.927 -3.284 1.00 71.12 O ATOM 1061 OE2 GLU A 62 -9.263 -15.291 -4.203 1.00 1.54 O ATOM 0 H GLU A 62 -6.593 -11.586 -7.306 1.00 75.14 H new ATOM 0 HA GLU A 62 -9.037 -10.988 -6.024 1.00 71.30 H new ATOM 0 HB2 GLU A 62 -8.091 -13.242 -6.229 1.00 3.34 H new ATOM 0 HB3 GLU A 62 -6.697 -12.783 -5.271 1.00 3.34 H new ATOM 0 HG2 GLU A 62 -8.111 -12.466 -3.291 1.00 44.05 H new ATOM 0 HG3 GLU A 62 -9.554 -12.790 -4.231 1.00 44.05 H new ATOM 1068 N GLU A 63 -6.308 -10.136 -4.332 1.00 33.43 N ATOM 1069 CA GLU A 63 -5.790 -9.213 -3.314 1.00 25.52 C ATOM 1070 C GLU A 63 -6.176 -7.762 -3.650 1.00 12.44 C ATOM 1071 O GLU A 63 -6.493 -6.962 -2.768 1.00 5.40 O ATOM 1072 CB GLU A 63 -4.258 -9.337 -3.226 1.00 55.04 C ATOM 1073 CG GLU A 63 -3.757 -10.759 -2.991 1.00 4.11 C ATOM 1074 CD GLU A 63 -4.196 -11.339 -1.652 1.00 42.50 C ATOM 1075 OE1 GLU A 63 -5.287 -11.941 -1.588 1.00 32.10 O ATOM 1076 OE2 GLU A 63 -3.443 -11.213 -0.665 1.00 14.34 O ATOM 0 H GLU A 63 -5.592 -10.706 -4.782 1.00 33.43 H new ATOM 0 HA GLU A 63 -6.231 -9.476 -2.352 1.00 25.52 H new ATOM 0 HB2 GLU A 63 -3.821 -8.958 -4.150 1.00 55.04 H new ATOM 0 HB3 GLU A 63 -3.899 -8.699 -2.418 1.00 55.04 H new ATOM 0 HG2 GLU A 63 -4.119 -11.402 -3.794 1.00 4.11 H new ATOM 0 HG3 GLU A 63 -2.668 -10.767 -3.043 1.00 4.11 H new ATOM 1083 N LEU A 64 -6.143 -7.440 -4.946 1.00 65.31 N ATOM 1084 CA LEU A 64 -6.555 -6.125 -5.448 1.00 4.50 C ATOM 1085 C LEU A 64 -8.001 -5.808 -5.043 1.00 10.13 C ATOM 1086 O LEU A 64 -8.283 -4.750 -4.476 1.00 14.04 O ATOM 1087 CB LEU A 64 -6.430 -6.096 -6.979 1.00 52.20 C ATOM 1088 CG LEU A 64 -6.693 -4.739 -7.652 1.00 54.52 C ATOM 1089 CD1 LEU A 64 -5.567 -3.757 -7.345 1.00 22.50 C ATOM 1090 CD2 LEU A 64 -6.865 -4.910 -9.161 1.00 53.23 C ATOM 0 H LEU A 64 -5.831 -8.081 -5.675 1.00 65.31 H new ATOM 0 HA LEU A 64 -5.903 -5.370 -5.009 1.00 4.50 H new ATOM 0 HB2 LEU A 64 -5.426 -6.424 -7.248 1.00 52.20 H new ATOM 0 HB3 LEU A 64 -7.125 -6.826 -7.394 1.00 52.20 H new ATOM 0 HG LEU A 64 -7.619 -4.331 -7.247 1.00 54.52 H new ATOM 0 HD11 LEU A 64 -5.773 -2.803 -7.831 1.00 22.50 H new ATOM 0 HD12 LEU A 64 -5.498 -3.608 -6.267 1.00 22.50 H new ATOM 0 HD13 LEU A 64 -4.624 -4.157 -7.717 1.00 22.50 H new ATOM 0 HD21 LEU A 64 -7.050 -3.938 -9.619 1.00 53.23 H new ATOM 0 HD22 LEU A 64 -5.959 -5.343 -9.584 1.00 53.23 H new ATOM 0 HD23 LEU A 64 -7.709 -5.571 -9.358 1.00 53.23 H new ATOM 1102 N ASP A 65 -8.907 -6.744 -5.331 1.00 12.52 N ATOM 1103 CA ASP A 65 -10.332 -6.561 -5.049 1.00 21.10 C ATOM 1104 C ASP A 65 -10.595 -6.481 -3.535 1.00 50.42 C ATOM 1105 O ASP A 65 -11.353 -5.629 -3.073 1.00 14.01 O ATOM 1106 CB ASP A 65 -11.143 -7.700 -5.685 1.00 24.40 C ATOM 1107 CG ASP A 65 -12.644 -7.440 -5.671 1.00 75.13 C ATOM 1108 OD1 ASP A 65 -13.067 -6.341 -6.097 1.00 13.02 O ATOM 1109 OD2 ASP A 65 -13.408 -8.335 -5.252 1.00 24.33 O ATOM 0 H ASP A 65 -8.678 -7.640 -5.761 1.00 12.52 H new ATOM 0 HA ASP A 65 -10.651 -5.615 -5.487 1.00 21.10 H new ATOM 0 HB2 ASP A 65 -10.814 -7.843 -6.714 1.00 24.40 H new ATOM 0 HB3 ASP A 65 -10.935 -8.628 -5.153 1.00 24.40 H new ATOM 1114 N LYS A 66 -9.946 -7.347 -2.763 1.00 74.14 N ATOM 1115 CA LYS A 66 -10.112 -7.349 -1.306 1.00 35.24 C ATOM 1116 C LYS A 66 -9.672 -6.017 -0.676 1.00 73.42 C ATOM 1117 O LYS A 66 -10.348 -5.483 0.209 1.00 52.20 O ATOM 1118 CB LYS A 66 -9.331 -8.509 -0.675 1.00 11.33 C ATOM 1119 CG LYS A 66 -9.772 -9.887 -1.163 1.00 25.32 C ATOM 1120 CD LYS A 66 -11.284 -10.075 -1.044 1.00 32.22 C ATOM 1121 CE LYS A 66 -11.771 -9.935 0.393 1.00 53.30 C ATOM 1122 NZ LYS A 66 -13.254 -9.958 0.482 1.00 63.21 N ATOM 0 H LYS A 66 -9.302 -8.055 -3.116 1.00 74.14 H new ATOM 0 HA LYS A 66 -11.175 -7.479 -1.104 1.00 35.24 H new ATOM 0 HB2 LYS A 66 -8.270 -8.380 -0.890 1.00 11.33 H new ATOM 0 HB3 LYS A 66 -9.444 -8.464 0.408 1.00 11.33 H new ATOM 0 HG2 LYS A 66 -9.470 -10.018 -2.202 1.00 25.32 H new ATOM 0 HG3 LYS A 66 -9.263 -10.658 -0.584 1.00 25.32 H new ATOM 0 HD2 LYS A 66 -11.790 -9.340 -1.670 1.00 32.22 H new ATOM 0 HD3 LYS A 66 -11.557 -11.060 -1.424 1.00 32.22 H new ATOM 0 HE2 LYS A 66 -11.359 -10.744 0.996 1.00 53.30 H new ATOM 0 HE3 LYS A 66 -11.397 -9.002 0.813 1.00 53.30 H new ATOM 0 HZ1 LYS A 66 -13.549 -9.676 1.439 1.00 63.21 H new ATOM 0 HZ2 LYS A 66 -13.654 -9.296 -0.213 1.00 63.21 H new ATOM 0 HZ3 LYS A 66 -13.599 -10.919 0.283 1.00 63.21 H new ATOM 1136 N ALA A 67 -8.542 -5.482 -1.142 1.00 62.13 N ATOM 1137 CA ALA A 67 -8.024 -4.202 -0.643 1.00 11.31 C ATOM 1138 C ALA A 67 -9.012 -3.051 -0.895 1.00 55.33 C ATOM 1139 O ALA A 67 -9.372 -2.311 0.025 1.00 62.41 O ATOM 1140 CB ALA A 67 -6.674 -3.892 -1.284 1.00 45.41 C ATOM 0 H ALA A 67 -7.966 -5.914 -1.865 1.00 62.13 H new ATOM 0 HA ALA A 67 -7.895 -4.295 0.435 1.00 11.31 H new ATOM 0 HB1 ALA A 67 -6.301 -2.940 -0.905 1.00 45.41 H new ATOM 0 HB2 ALA A 67 -5.965 -4.683 -1.039 1.00 45.41 H new ATOM 0 HB3 ALA A 67 -6.790 -3.831 -2.366 1.00 45.41 H new ATOM 1146 N LYS A 68 -9.452 -2.911 -2.146 1.00 41.44 N ATOM 1147 CA LYS A 68 -10.391 -1.845 -2.521 1.00 62.51 C ATOM 1148 C LYS A 68 -11.764 -2.026 -1.846 1.00 22.22 C ATOM 1149 O LYS A 68 -12.421 -1.041 -1.512 1.00 74.43 O ATOM 1150 CB LYS A 68 -10.539 -1.773 -4.049 1.00 55.24 C ATOM 1151 CG LYS A 68 -10.925 -3.100 -4.689 1.00 2.44 C ATOM 1152 CD LYS A 68 -10.953 -3.029 -6.212 1.00 32.42 C ATOM 1153 CE LYS A 68 -12.104 -2.176 -6.726 1.00 15.02 C ATOM 1154 NZ LYS A 68 -12.188 -2.202 -8.210 1.00 40.42 N ATOM 0 H LYS A 68 -9.176 -3.519 -2.917 1.00 41.44 H new ATOM 0 HA LYS A 68 -9.978 -0.901 -2.164 1.00 62.51 H new ATOM 0 HB2 LYS A 68 -11.294 -1.027 -4.297 1.00 55.24 H new ATOM 0 HB3 LYS A 68 -9.598 -1.431 -4.481 1.00 55.24 H new ATOM 0 HG2 LYS A 68 -10.218 -3.869 -4.378 1.00 2.44 H new ATOM 0 HG3 LYS A 68 -11.907 -3.403 -4.325 1.00 2.44 H new ATOM 0 HD2 LYS A 68 -10.010 -2.619 -6.572 1.00 32.42 H new ATOM 0 HD3 LYS A 68 -11.039 -4.036 -6.620 1.00 32.42 H new ATOM 0 HE2 LYS A 68 -13.041 -2.536 -6.302 1.00 15.02 H new ATOM 0 HE3 LYS A 68 -11.975 -1.148 -6.387 1.00 15.02 H new ATOM 0 HZ1 LYS A 68 -12.984 -1.610 -8.523 1.00 40.42 H new ATOM 0 HZ2 LYS A 68 -11.303 -1.835 -8.614 1.00 40.42 H new ATOM 0 HZ3 LYS A 68 -12.336 -3.180 -8.532 1.00 40.42 H new ATOM 1168 N GLU A 69 -12.195 -3.278 -1.638 1.00 15.23 N ATOM 1169 CA GLU A 69 -13.448 -3.546 -0.909 1.00 23.53 C ATOM 1170 C GLU A 69 -13.431 -2.895 0.480 1.00 44.50 C ATOM 1171 O GLU A 69 -14.312 -2.100 0.821 1.00 40.43 O ATOM 1172 CB GLU A 69 -13.696 -5.054 -0.738 1.00 11.03 C ATOM 1173 CG GLU A 69 -14.178 -5.768 -1.992 1.00 21.25 C ATOM 1174 CD GLU A 69 -14.630 -7.186 -1.692 1.00 25.54 C ATOM 1175 OE1 GLU A 69 -13.774 -8.082 -1.572 1.00 11.20 O ATOM 1176 OE2 GLU A 69 -15.849 -7.406 -1.531 1.00 75.53 O ATOM 0 H GLU A 69 -11.704 -4.113 -1.958 1.00 15.23 H new ATOM 0 HA GLU A 69 -14.251 -3.116 -1.508 1.00 23.53 H new ATOM 0 HB2 GLU A 69 -12.772 -5.524 -0.402 1.00 11.03 H new ATOM 0 HB3 GLU A 69 -14.433 -5.199 0.052 1.00 11.03 H new ATOM 0 HG2 GLU A 69 -15.003 -5.209 -2.435 1.00 21.25 H new ATOM 0 HG3 GLU A 69 -13.376 -5.790 -2.729 1.00 21.25 H new ATOM 1183 N LEU A 70 -12.427 -3.251 1.277 1.00 11.11 N ATOM 1184 CA LEU A 70 -12.283 -2.720 2.637 1.00 11.45 C ATOM 1185 C LEU A 70 -12.206 -1.183 2.631 1.00 70.44 C ATOM 1186 O LEU A 70 -12.810 -0.517 3.475 1.00 2.20 O ATOM 1187 CB LEU A 70 -11.032 -3.315 3.303 1.00 20.40 C ATOM 1188 CG LEU A 70 -11.021 -4.849 3.427 1.00 31.15 C ATOM 1189 CD1 LEU A 70 -9.700 -5.339 4.018 1.00 74.44 C ATOM 1190 CD2 LEU A 70 -12.202 -5.330 4.270 1.00 62.33 C ATOM 0 H LEU A 70 -11.696 -3.908 1.006 1.00 11.11 H new ATOM 0 HA LEU A 70 -13.165 -3.007 3.210 1.00 11.45 H new ATOM 0 HB2 LEU A 70 -10.155 -3.006 2.733 1.00 20.40 H new ATOM 0 HB3 LEU A 70 -10.932 -2.885 4.300 1.00 20.40 H new ATOM 0 HG LEU A 70 -11.120 -5.270 2.427 1.00 31.15 H new ATOM 0 HD11 LEU A 70 -9.717 -6.426 4.095 1.00 74.44 H new ATOM 0 HD12 LEU A 70 -8.877 -5.034 3.372 1.00 74.44 H new ATOM 0 HD13 LEU A 70 -9.562 -4.907 5.009 1.00 74.44 H new ATOM 0 HD21 LEU A 70 -12.176 -6.417 4.346 1.00 62.33 H new ATOM 0 HD22 LEU A 70 -12.138 -4.895 5.267 1.00 62.33 H new ATOM 0 HD23 LEU A 70 -13.135 -5.021 3.799 1.00 62.33 H new ATOM 1202 N ALA A 71 -11.473 -0.634 1.664 1.00 64.11 N ATOM 1203 CA ALA A 71 -11.329 0.819 1.523 1.00 35.32 C ATOM 1204 C ALA A 71 -12.667 1.507 1.192 1.00 2.44 C ATOM 1205 O ALA A 71 -13.005 2.536 1.777 1.00 61.34 O ATOM 1206 CB ALA A 71 -10.293 1.136 0.453 1.00 43.34 C ATOM 0 H ALA A 71 -10.966 -1.174 0.962 1.00 64.11 H new ATOM 0 HA ALA A 71 -10.994 1.211 2.483 1.00 35.32 H new ATOM 0 HB1 ALA A 71 -10.191 2.217 0.354 1.00 43.34 H new ATOM 0 HB2 ALA A 71 -9.333 0.706 0.738 1.00 43.34 H new ATOM 0 HB3 ALA A 71 -10.612 0.713 -0.499 1.00 43.34 H new ATOM 1212 N GLN A 72 -13.420 0.942 0.246 1.00 33.03 N ATOM 1213 CA GLN A 72 -14.727 1.492 -0.144 1.00 73.14 C ATOM 1214 C GLN A 72 -15.737 1.436 1.013 1.00 50.00 C ATOM 1215 O GLN A 72 -16.390 2.432 1.334 1.00 62.42 O ATOM 1216 CB GLN A 72 -15.298 0.727 -1.349 1.00 35.25 C ATOM 1217 CG GLN A 72 -14.523 0.927 -2.648 1.00 75.03 C ATOM 1218 CD GLN A 72 -15.127 0.157 -3.815 1.00 53.04 C ATOM 1219 OE1 GLN A 72 -16.331 -0.075 -3.868 1.00 51.15 O ATOM 1220 NE2 GLN A 72 -14.301 -0.239 -4.764 1.00 4.14 N ATOM 0 H GLN A 72 -13.150 0.103 -0.267 1.00 33.03 H new ATOM 0 HA GLN A 72 -14.566 2.536 -0.413 1.00 73.14 H new ATOM 0 HB2 GLN A 72 -15.318 -0.337 -1.112 1.00 35.25 H new ATOM 0 HB3 GLN A 72 -16.331 1.038 -1.505 1.00 35.25 H new ATOM 0 HG2 GLN A 72 -14.498 1.989 -2.892 1.00 75.03 H new ATOM 0 HG3 GLN A 72 -13.490 0.609 -2.503 1.00 75.03 H new ATOM 0 HE21 GLN A 72 -13.305 -0.031 -4.692 1.00 4.14 H new ATOM 0 HE22 GLN A 72 -14.658 -0.753 -5.569 1.00 4.14 H new ATOM 1229 N LYS A 73 -15.848 0.266 1.637 1.00 33.34 N ATOM 1230 CA LYS A 73 -16.826 0.044 2.709 1.00 22.13 C ATOM 1231 C LYS A 73 -16.520 0.870 3.969 1.00 72.13 C ATOM 1232 O LYS A 73 -17.426 1.191 4.741 1.00 34.51 O ATOM 1233 CB LYS A 73 -16.904 -1.450 3.052 1.00 71.23 C ATOM 1234 CG LYS A 73 -17.469 -2.300 1.916 1.00 33.43 C ATOM 1235 CD LYS A 73 -17.581 -3.777 2.289 1.00 52.31 C ATOM 1236 CE LYS A 73 -16.218 -4.432 2.472 1.00 2.23 C ATOM 1237 NZ LYS A 73 -16.342 -5.886 2.759 1.00 4.13 N ATOM 0 H LYS A 73 -15.273 -0.548 1.421 1.00 33.34 H new ATOM 0 HA LYS A 73 -17.793 0.382 2.338 1.00 22.13 H new ATOM 0 HB2 LYS A 73 -15.907 -1.810 3.305 1.00 71.23 H new ATOM 0 HB3 LYS A 73 -17.525 -1.581 3.938 1.00 71.23 H new ATOM 0 HG2 LYS A 73 -18.454 -1.923 1.640 1.00 33.43 H new ATOM 0 HG3 LYS A 73 -16.831 -2.198 1.038 1.00 33.43 H new ATOM 0 HD2 LYS A 73 -18.155 -3.874 3.211 1.00 52.31 H new ATOM 0 HD3 LYS A 73 -18.134 -4.305 1.512 1.00 52.31 H new ATOM 0 HE2 LYS A 73 -15.621 -4.288 1.571 1.00 2.23 H new ATOM 0 HE3 LYS A 73 -15.686 -3.944 3.288 1.00 2.23 H new ATOM 0 HZ1 LYS A 73 -15.395 -6.298 2.878 1.00 4.13 H new ATOM 0 HZ2 LYS A 73 -16.891 -6.022 3.632 1.00 4.13 H new ATOM 0 HZ3 LYS A 73 -16.828 -6.356 1.968 1.00 4.13 H new ATOM 1251 N MET A 74 -15.248 1.198 4.188 1.00 74.13 N ATOM 1252 CA MET A 74 -14.859 2.077 5.300 1.00 43.11 C ATOM 1253 C MET A 74 -14.606 3.518 4.821 1.00 55.31 C ATOM 1254 O MET A 74 -14.296 4.399 5.625 1.00 0.34 O ATOM 1255 CB MET A 74 -13.616 1.523 6.013 1.00 3.20 C ATOM 1256 CG MET A 74 -13.878 0.232 6.780 1.00 71.14 C ATOM 1257 SD MET A 74 -12.430 -0.343 7.700 1.00 65.40 S ATOM 1258 CE MET A 74 -11.326 -0.801 6.368 1.00 34.41 C ATOM 0 H MET A 74 -14.469 0.872 3.616 1.00 74.13 H new ATOM 0 HA MET A 74 -15.689 2.103 6.007 1.00 43.11 H new ATOM 0 HB2 MET A 74 -12.833 1.345 5.276 1.00 3.20 H new ATOM 0 HB3 MET A 74 -13.238 2.276 6.704 1.00 3.20 H new ATOM 0 HG2 MET A 74 -14.705 0.388 7.473 1.00 71.14 H new ATOM 0 HG3 MET A 74 -14.190 -0.544 6.081 1.00 71.14 H new ATOM 0 HE1 MET A 74 -10.504 -1.397 6.765 1.00 34.41 H new ATOM 0 HE2 MET A 74 -11.872 -1.385 5.627 1.00 34.41 H new ATOM 0 HE3 MET A 74 -10.928 0.099 5.899 1.00 34.41 H new ATOM 1268 N GLU A 75 -14.752 3.739 3.511 1.00 54.32 N ATOM 1269 CA GLU A 75 -14.571 5.064 2.890 1.00 4.23 C ATOM 1270 C GLU A 75 -13.173 5.649 3.167 1.00 64.02 C ATOM 1271 O GLU A 75 -12.994 6.486 4.051 1.00 1.30 O ATOM 1272 CB GLU A 75 -15.680 6.031 3.343 1.00 73.54 C ATOM 1273 CG GLU A 75 -17.088 5.549 2.988 1.00 33.31 C ATOM 1274 CD GLU A 75 -18.181 6.503 3.445 1.00 44.30 C ATOM 1275 OE1 GLU A 75 -18.644 6.382 4.601 1.00 24.02 O ATOM 1276 OE2 GLU A 75 -18.598 7.371 2.645 1.00 44.03 O ATOM 0 H GLU A 75 -14.999 3.006 2.846 1.00 54.32 H new ATOM 0 HA GLU A 75 -14.649 4.932 1.811 1.00 4.23 H new ATOM 0 HB2 GLU A 75 -15.613 6.170 4.422 1.00 73.54 H new ATOM 0 HB3 GLU A 75 -15.511 7.006 2.885 1.00 73.54 H new ATOM 0 HG2 GLU A 75 -17.158 5.417 1.908 1.00 33.31 H new ATOM 0 HG3 GLU A 75 -17.255 4.572 3.440 1.00 33.31 H new ATOM 1283 N ILE A 76 -12.181 5.175 2.409 1.00 4.25 N ATOM 1284 CA ILE A 76 -10.791 5.638 2.543 1.00 64.52 C ATOM 1285 C ILE A 76 -10.187 5.991 1.170 1.00 52.32 C ATOM 1286 O ILE A 76 -10.507 5.358 0.158 1.00 14.34 O ATOM 1287 CB ILE A 76 -9.906 4.553 3.219 1.00 1.10 C ATOM 1288 CG1 ILE A 76 -10.525 4.095 4.554 1.00 24.23 C ATOM 1289 CG2 ILE A 76 -8.483 5.071 3.442 1.00 22.23 C ATOM 1290 CD1 ILE A 76 -9.783 2.950 5.211 1.00 3.33 C ATOM 0 H ILE A 76 -12.313 4.465 1.689 1.00 4.25 H new ATOM 0 HA ILE A 76 -10.810 6.531 3.167 1.00 64.52 H new ATOM 0 HB ILE A 76 -9.858 3.695 2.549 1.00 1.10 H new ATOM 0 HG12 ILE A 76 -10.551 4.941 5.241 1.00 24.23 H new ATOM 0 HG13 ILE A 76 -11.558 3.794 4.380 1.00 24.23 H new ATOM 0 HG21 ILE A 76 -7.883 4.294 3.916 1.00 22.23 H new ATOM 0 HG22 ILE A 76 -8.039 5.338 2.483 1.00 22.23 H new ATOM 0 HG23 ILE A 76 -8.513 5.950 4.086 1.00 22.23 H new ATOM 0 HD11 ILE A 76 -10.278 2.684 6.145 1.00 3.33 H new ATOM 0 HD12 ILE A 76 -9.780 2.088 4.544 1.00 3.33 H new ATOM 0 HD13 ILE A 76 -8.756 3.253 5.418 1.00 3.33 H new ATOM 1302 N ASP A 77 -9.319 7.003 1.131 1.00 3.04 N ATOM 1303 CA ASP A 77 -8.644 7.394 -0.113 1.00 13.23 C ATOM 1304 C ASP A 77 -7.405 6.526 -0.381 1.00 20.13 C ATOM 1305 O ASP A 77 -6.329 6.765 0.176 1.00 21.51 O ATOM 1306 CB ASP A 77 -8.241 8.870 -0.066 1.00 42.14 C ATOM 1307 CG ASP A 77 -9.442 9.791 -0.014 1.00 21.24 C ATOM 1308 OD1 ASP A 77 -10.071 10.003 -1.075 1.00 42.54 O ATOM 1309 OD2 ASP A 77 -9.757 10.307 1.075 1.00 71.01 O ATOM 0 H ASP A 77 -9.066 7.567 1.942 1.00 3.04 H new ATOM 0 HA ASP A 77 -9.351 7.240 -0.928 1.00 13.23 H new ATOM 0 HB2 ASP A 77 -7.613 9.045 0.807 1.00 42.14 H new ATOM 0 HB3 ASP A 77 -7.640 9.109 -0.944 1.00 42.14 H new ATOM 1314 N VAL A 78 -7.559 5.516 -1.235 1.00 61.32 N ATOM 1315 CA VAL A 78 -6.453 4.610 -1.570 1.00 75.14 C ATOM 1316 C VAL A 78 -6.263 4.457 -3.089 1.00 44.32 C ATOM 1317 O VAL A 78 -7.193 4.658 -3.874 1.00 11.24 O ATOM 1318 CB VAL A 78 -6.663 3.201 -0.954 1.00 64.51 C ATOM 1319 CG1 VAL A 78 -6.812 3.277 0.565 1.00 71.11 C ATOM 1320 CG2 VAL A 78 -7.869 2.507 -1.586 1.00 42.44 C ATOM 0 H VAL A 78 -8.436 5.301 -1.709 1.00 61.32 H new ATOM 0 HA VAL A 78 -5.558 5.066 -1.146 1.00 75.14 H new ATOM 0 HB VAL A 78 -5.776 2.606 -1.171 1.00 64.51 H new ATOM 0 HG11 VAL A 78 -6.958 2.274 0.967 1.00 71.11 H new ATOM 0 HG12 VAL A 78 -5.912 3.714 0.997 1.00 71.11 H new ATOM 0 HG13 VAL A 78 -7.673 3.897 0.816 1.00 71.11 H new ATOM 0 HG21 VAL A 78 -7.997 1.521 -1.139 1.00 42.44 H new ATOM 0 HG22 VAL A 78 -8.765 3.103 -1.412 1.00 42.44 H new ATOM 0 HG23 VAL A 78 -7.707 2.401 -2.659 1.00 42.44 H new ATOM 1330 N ARG A 79 -5.042 4.109 -3.488 1.00 12.43 N ATOM 1331 CA ARG A 79 -4.732 3.770 -4.883 1.00 60.43 C ATOM 1332 C ARG A 79 -4.196 2.331 -4.970 1.00 2.42 C ATOM 1333 O ARG A 79 -3.101 2.036 -4.490 1.00 43.21 O ATOM 1334 CB ARG A 79 -3.713 4.766 -5.468 1.00 51.33 C ATOM 1335 CG ARG A 79 -4.300 6.148 -5.767 1.00 52.33 C ATOM 1336 CD ARG A 79 -3.250 7.118 -6.311 1.00 61.01 C ATOM 1337 NE ARG A 79 -3.855 8.350 -6.825 1.00 64.30 N ATOM 1338 CZ ARG A 79 -3.382 9.557 -6.639 1.00 55.21 C ATOM 1339 NH1 ARG A 79 -2.306 9.757 -5.945 1.00 63.34 N ATOM 1340 NH2 ARG A 79 -3.987 10.574 -7.157 1.00 41.20 N ATOM 0 H ARG A 79 -4.240 4.053 -2.860 1.00 12.43 H new ATOM 0 HA ARG A 79 -5.647 3.837 -5.471 1.00 60.43 H new ATOM 0 HB2 ARG A 79 -2.885 4.877 -4.768 1.00 51.33 H new ATOM 0 HB3 ARG A 79 -3.300 4.351 -6.387 1.00 51.33 H new ATOM 0 HG2 ARG A 79 -5.109 6.048 -6.491 1.00 52.33 H new ATOM 0 HG3 ARG A 79 -4.736 6.560 -4.857 1.00 52.33 H new ATOM 0 HD2 ARG A 79 -2.540 7.365 -5.521 1.00 61.01 H new ATOM 0 HD3 ARG A 79 -2.685 6.632 -7.107 1.00 61.01 H new ATOM 0 HE ARG A 79 -4.712 8.260 -7.371 1.00 64.30 H new ATOM 0 HH11 ARG A 79 -1.811 8.966 -5.532 1.00 63.34 H new ATOM 0 HH12 ARG A 79 -1.954 10.705 -5.812 1.00 63.34 H new ATOM 0 HH21 ARG A 79 -4.833 10.437 -7.711 1.00 41.20 H new ATOM 0 HH22 ARG A 79 -3.619 11.514 -7.012 1.00 41.20 H new ATOM 1354 N THR A 80 -4.978 1.437 -5.572 1.00 34.34 N ATOM 1355 CA THR A 80 -4.643 0.004 -5.621 1.00 14.13 C ATOM 1356 C THR A 80 -3.992 -0.396 -6.948 1.00 53.53 C ATOM 1357 O THR A 80 -4.630 -0.356 -8.000 1.00 21.02 O ATOM 1358 CB THR A 80 -5.898 -0.874 -5.408 1.00 33.51 C ATOM 1359 OG1 THR A 80 -6.960 -0.449 -6.281 1.00 44.00 O ATOM 1360 CG2 THR A 80 -6.368 -0.828 -3.960 1.00 1.45 C ATOM 0 H THR A 80 -5.854 1.676 -6.037 1.00 34.34 H new ATOM 0 HA THR A 80 -3.930 -0.163 -4.813 1.00 14.13 H new ATOM 0 HB THR A 80 -5.627 -1.903 -5.646 1.00 33.51 H new ATOM 0 HG1 THR A 80 -6.596 -0.258 -7.170 1.00 44.00 H new ATOM 0 HG21 THR A 80 -7.252 -1.456 -3.844 1.00 1.45 H new ATOM 0 HG22 THR A 80 -5.575 -1.194 -3.308 1.00 1.45 H new ATOM 0 HG23 THR A 80 -6.614 0.199 -3.690 1.00 1.45 H new ATOM 1368 N ARG A 81 -2.725 -0.802 -6.889 1.00 52.02 N ATOM 1369 CA ARG A 81 -1.981 -1.251 -8.079 1.00 12.12 C ATOM 1370 C ARG A 81 -1.442 -2.682 -7.891 1.00 43.11 C ATOM 1371 O ARG A 81 -0.983 -3.044 -6.809 1.00 54.22 O ATOM 1372 CB ARG A 81 -0.811 -0.297 -8.367 1.00 20.20 C ATOM 1373 CG ARG A 81 -1.212 1.153 -8.650 1.00 64.52 C ATOM 1374 CD ARG A 81 -1.877 1.334 -10.015 1.00 34.24 C ATOM 1375 NE ARG A 81 -3.251 0.839 -10.051 1.00 62.14 N ATOM 1376 CZ ARG A 81 -4.101 1.103 -11.004 1.00 35.13 C ATOM 1377 NH1 ARG A 81 -3.750 1.818 -12.026 1.00 73.30 N ATOM 1378 NH2 ARG A 81 -5.312 0.652 -10.931 1.00 71.13 N ATOM 0 H ARG A 81 -2.183 -0.832 -6.025 1.00 52.02 H new ATOM 0 HA ARG A 81 -2.671 -1.247 -8.923 1.00 12.12 H new ATOM 0 HB2 ARG A 81 -0.133 -0.310 -7.514 1.00 20.20 H new ATOM 0 HB3 ARG A 81 -0.254 -0.678 -9.223 1.00 20.20 H new ATOM 0 HG2 ARG A 81 -1.895 1.494 -7.872 1.00 64.52 H new ATOM 0 HG3 ARG A 81 -0.326 1.786 -8.597 1.00 64.52 H new ATOM 0 HD2 ARG A 81 -1.871 2.392 -10.279 1.00 34.24 H new ATOM 0 HD3 ARG A 81 -1.289 0.814 -10.771 1.00 34.24 H new ATOM 0 HE ARG A 81 -3.566 0.249 -9.281 1.00 62.14 H new ATOM 0 HH11 ARG A 81 -2.799 2.181 -12.092 1.00 73.30 H new ATOM 0 HH12 ARG A 81 -4.424 2.017 -12.765 1.00 73.30 H new ATOM 0 HH21 ARG A 81 -5.600 0.091 -10.129 1.00 71.13 H new ATOM 0 HH22 ARG A 81 -5.978 0.857 -11.675 1.00 71.13 H new ATOM 1392 N LYS A 82 -1.495 -3.486 -8.950 1.00 13.20 N ATOM 1393 CA LYS A 82 -0.994 -4.869 -8.906 1.00 41.45 C ATOM 1394 C LYS A 82 0.441 -4.957 -9.456 1.00 12.51 C ATOM 1395 O LYS A 82 0.708 -4.552 -10.588 1.00 62.11 O ATOM 1396 CB LYS A 82 -1.917 -5.801 -9.709 1.00 32.23 C ATOM 1397 CG LYS A 82 -1.506 -7.273 -9.650 1.00 14.13 C ATOM 1398 CD LYS A 82 -2.435 -8.171 -10.467 1.00 51.31 C ATOM 1399 CE LYS A 82 -2.394 -7.838 -11.956 1.00 1.33 C ATOM 1400 NZ LYS A 82 -3.274 -8.737 -12.747 1.00 32.23 N ATOM 0 H LYS A 82 -1.879 -3.209 -9.853 1.00 13.20 H new ATOM 0 HA LYS A 82 -0.984 -5.186 -7.863 1.00 41.45 H new ATOM 0 HB2 LYS A 82 -2.935 -5.702 -9.333 1.00 32.23 H new ATOM 0 HB3 LYS A 82 -1.929 -5.478 -10.750 1.00 32.23 H new ATOM 0 HG2 LYS A 82 -0.486 -7.378 -10.020 1.00 14.13 H new ATOM 0 HG3 LYS A 82 -1.504 -7.606 -8.612 1.00 14.13 H new ATOM 0 HD2 LYS A 82 -2.151 -9.213 -10.321 1.00 51.31 H new ATOM 0 HD3 LYS A 82 -3.456 -8.064 -10.100 1.00 51.31 H new ATOM 0 HE2 LYS A 82 -2.703 -6.803 -12.106 1.00 1.33 H new ATOM 0 HE3 LYS A 82 -1.370 -7.921 -12.319 1.00 1.33 H new ATOM 0 HZ1 LYS A 82 -2.762 -9.072 -13.588 1.00 32.23 H new ATOM 0 HZ2 LYS A 82 -3.552 -9.552 -12.164 1.00 32.23 H new ATOM 0 HZ3 LYS A 82 -4.125 -8.217 -13.044 1.00 32.23 H new ATOM 1414 N VAL A 83 1.362 -5.495 -8.655 1.00 51.04 N ATOM 1415 CA VAL A 83 2.769 -5.597 -9.063 1.00 0.01 C ATOM 1416 C VAL A 83 3.322 -7.022 -8.896 1.00 74.05 C ATOM 1417 O VAL A 83 3.104 -7.681 -7.879 1.00 70.23 O ATOM 1418 CB VAL A 83 3.663 -4.605 -8.271 1.00 50.42 C ATOM 1419 CG1 VAL A 83 3.296 -3.161 -8.610 1.00 42.04 C ATOM 1420 CG2 VAL A 83 3.555 -4.853 -6.765 1.00 60.11 C ATOM 0 H VAL A 83 1.164 -5.865 -7.726 1.00 51.04 H new ATOM 0 HA VAL A 83 2.796 -5.339 -10.122 1.00 0.01 H new ATOM 0 HB VAL A 83 4.699 -4.773 -8.566 1.00 50.42 H new ATOM 0 HG11 VAL A 83 3.934 -2.481 -8.045 1.00 42.04 H new ATOM 0 HG12 VAL A 83 3.439 -2.990 -9.677 1.00 42.04 H new ATOM 0 HG13 VAL A 83 2.253 -2.980 -8.350 1.00 42.04 H new ATOM 0 HG21 VAL A 83 4.191 -4.145 -6.233 1.00 60.11 H new ATOM 0 HG22 VAL A 83 2.521 -4.721 -6.448 1.00 60.11 H new ATOM 0 HG23 VAL A 83 3.877 -5.870 -6.540 1.00 60.11 H new ATOM 1430 N THR A 84 4.044 -7.486 -9.916 1.00 3.14 N ATOM 1431 CA THR A 84 4.708 -8.800 -9.881 1.00 35.03 C ATOM 1432 C THR A 84 6.232 -8.656 -9.998 1.00 52.21 C ATOM 1433 O THR A 84 6.948 -9.631 -10.239 1.00 52.13 O ATOM 1434 CB THR A 84 4.204 -9.715 -11.025 1.00 64.22 C ATOM 1435 OG1 THR A 84 4.431 -9.086 -12.298 1.00 52.05 O ATOM 1436 CG2 THR A 84 2.719 -10.025 -10.862 1.00 22.23 C ATOM 0 H THR A 84 4.188 -6.971 -10.785 1.00 3.14 H new ATOM 0 HA THR A 84 4.460 -9.253 -8.921 1.00 35.03 H new ATOM 0 HB THR A 84 4.760 -10.651 -10.980 1.00 64.22 H new ATOM 0 HG1 THR A 84 4.111 -9.673 -13.015 1.00 52.05 H new ATOM 0 HG21 THR A 84 2.390 -10.669 -11.678 1.00 22.23 H new ATOM 0 HG22 THR A 84 2.555 -10.532 -9.911 1.00 22.23 H new ATOM 0 HG23 THR A 84 2.149 -9.096 -10.881 1.00 22.23 H new ATOM 1444 N SER A 85 6.724 -7.430 -9.824 1.00 55.12 N ATOM 1445 CA SER A 85 8.163 -7.138 -9.920 1.00 34.22 C ATOM 1446 C SER A 85 8.548 -5.954 -9.020 1.00 52.55 C ATOM 1447 O SER A 85 7.783 -4.996 -8.888 1.00 32.23 O ATOM 1448 CB SER A 85 8.555 -6.829 -11.375 1.00 54.30 C ATOM 1449 OG SER A 85 8.303 -7.938 -12.225 1.00 75.25 O ATOM 0 H SER A 85 6.147 -6.615 -9.614 1.00 55.12 H new ATOM 0 HA SER A 85 8.704 -8.022 -9.583 1.00 34.22 H new ATOM 0 HB2 SER A 85 7.995 -5.963 -11.728 1.00 54.30 H new ATOM 0 HB3 SER A 85 9.612 -6.566 -11.421 1.00 54.30 H new ATOM 0 HG SER A 85 8.560 -7.712 -13.143 1.00 75.25 H new ATOM 1455 N PRO A 86 9.747 -5.996 -8.400 1.00 24.34 N ATOM 1456 CA PRO A 86 10.206 -4.947 -7.465 1.00 52.14 C ATOM 1457 C PRO A 86 10.188 -3.533 -8.066 1.00 51.41 C ATOM 1458 O PRO A 86 9.554 -2.633 -7.518 1.00 43.53 O ATOM 1459 CB PRO A 86 11.643 -5.372 -7.124 1.00 42.42 C ATOM 1460 CG PRO A 86 11.673 -6.840 -7.378 1.00 54.30 C ATOM 1461 CD PRO A 86 10.752 -7.072 -8.545 1.00 25.30 C ATOM 0 HA PRO A 86 9.545 -4.876 -6.601 1.00 52.14 H new ATOM 0 HB2 PRO A 86 12.369 -4.848 -7.745 1.00 42.42 H new ATOM 0 HB3 PRO A 86 11.888 -5.144 -6.086 1.00 42.42 H new ATOM 0 HG2 PRO A 86 12.684 -7.177 -7.605 1.00 54.30 H new ATOM 0 HG3 PRO A 86 11.341 -7.396 -6.501 1.00 54.30 H new ATOM 0 HD2 PRO A 86 11.281 -7.004 -9.496 1.00 25.30 H new ATOM 0 HD3 PRO A 86 10.293 -8.060 -8.506 1.00 25.30 H new ATOM 1469 N ASP A 87 10.874 -3.345 -9.196 1.00 34.51 N ATOM 1470 CA ASP A 87 10.982 -2.025 -9.833 1.00 61.44 C ATOM 1471 C ASP A 87 9.614 -1.396 -10.140 1.00 41.32 C ATOM 1472 O ASP A 87 9.475 -0.171 -10.146 1.00 12.22 O ATOM 1473 CB ASP A 87 11.832 -2.125 -11.097 1.00 53.23 C ATOM 1474 CG ASP A 87 13.278 -2.441 -10.765 1.00 34.53 C ATOM 1475 OD1 ASP A 87 14.032 -1.501 -10.425 1.00 41.43 O ATOM 1476 OD2 ASP A 87 13.664 -3.628 -10.816 1.00 75.04 O ATOM 0 H ASP A 87 11.365 -4.090 -9.691 1.00 34.51 H new ATOM 0 HA ASP A 87 11.470 -1.360 -9.120 1.00 61.44 H new ATOM 0 HB2 ASP A 87 11.429 -2.900 -11.749 1.00 53.23 H new ATOM 0 HB3 ASP A 87 11.780 -1.186 -11.648 1.00 53.23 H new ATOM 1481 N GLU A 88 8.607 -2.234 -10.377 1.00 73.33 N ATOM 1482 CA GLU A 88 7.240 -1.748 -10.579 1.00 65.03 C ATOM 1483 C GLU A 88 6.730 -1.044 -9.314 1.00 71.12 C ATOM 1484 O GLU A 88 6.400 0.144 -9.339 1.00 34.21 O ATOM 1485 CB GLU A 88 6.304 -2.908 -10.955 1.00 15.12 C ATOM 1486 CG GLU A 88 6.725 -3.659 -12.214 1.00 30.55 C ATOM 1487 CD GLU A 88 6.838 -2.753 -13.431 1.00 74.11 C ATOM 1488 OE1 GLU A 88 5.792 -2.291 -13.931 1.00 25.42 O ATOM 1489 OE2 GLU A 88 7.971 -2.507 -13.898 1.00 44.01 O ATOM 0 H GLU A 88 8.709 -3.247 -10.434 1.00 73.33 H new ATOM 0 HA GLU A 88 7.249 -1.030 -11.399 1.00 65.03 H new ATOM 0 HB2 GLU A 88 6.260 -3.610 -10.123 1.00 15.12 H new ATOM 0 HB3 GLU A 88 5.296 -2.517 -11.097 1.00 15.12 H new ATOM 0 HG2 GLU A 88 7.685 -4.145 -12.038 1.00 30.55 H new ATOM 0 HG3 GLU A 88 6.002 -4.448 -12.420 1.00 30.55 H new ATOM 1496 N ALA A 89 6.699 -1.780 -8.201 1.00 44.52 N ATOM 1497 CA ALA A 89 6.288 -1.217 -6.909 1.00 3.13 C ATOM 1498 C ALA A 89 7.168 -0.017 -6.522 1.00 22.23 C ATOM 1499 O ALA A 89 6.673 0.996 -6.021 1.00 21.51 O ATOM 1500 CB ALA A 89 6.340 -2.291 -5.827 1.00 31.24 C ATOM 0 H ALA A 89 6.953 -2.767 -8.166 1.00 44.52 H new ATOM 0 HA ALA A 89 5.262 -0.861 -7.003 1.00 3.13 H new ATOM 0 HB1 ALA A 89 6.033 -1.862 -4.873 1.00 31.24 H new ATOM 0 HB2 ALA A 89 5.667 -3.107 -6.091 1.00 31.24 H new ATOM 0 HB3 ALA A 89 7.357 -2.673 -5.742 1.00 31.24 H new ATOM 1506 N LYS A 90 8.472 -0.144 -6.772 1.00 51.32 N ATOM 1507 CA LYS A 90 9.432 0.942 -6.537 1.00 64.13 C ATOM 1508 C LYS A 90 8.989 2.237 -7.238 1.00 72.34 C ATOM 1509 O LYS A 90 8.946 3.311 -6.625 1.00 3.35 O ATOM 1510 CB LYS A 90 10.830 0.523 -7.030 1.00 30.02 C ATOM 1511 CG LYS A 90 11.490 -0.566 -6.178 1.00 14.21 C ATOM 1512 CD LYS A 90 12.781 -1.098 -6.808 1.00 22.20 C ATOM 1513 CE LYS A 90 13.801 0.003 -7.078 1.00 13.31 C ATOM 1514 NZ LYS A 90 15.038 -0.538 -7.701 1.00 51.22 N ATOM 0 H LYS A 90 8.893 -0.996 -7.141 1.00 51.32 H new ATOM 0 HA LYS A 90 9.471 1.136 -5.465 1.00 64.13 H new ATOM 0 HB2 LYS A 90 10.750 0.168 -8.057 1.00 30.02 H new ATOM 0 HB3 LYS A 90 11.477 1.400 -7.045 1.00 30.02 H new ATOM 0 HG2 LYS A 90 11.710 -0.166 -5.188 1.00 14.21 H new ATOM 0 HG3 LYS A 90 10.790 -1.390 -6.040 1.00 14.21 H new ATOM 0 HD2 LYS A 90 13.223 -1.843 -6.146 1.00 22.20 H new ATOM 0 HD3 LYS A 90 12.542 -1.604 -7.743 1.00 22.20 H new ATOM 0 HE2 LYS A 90 13.361 0.754 -7.734 1.00 13.31 H new ATOM 0 HE3 LYS A 90 14.053 0.504 -6.143 1.00 13.31 H new ATOM 0 HZ1 LYS A 90 15.729 0.229 -7.824 1.00 51.22 H new ATOM 0 HZ2 LYS A 90 15.443 -1.273 -7.087 1.00 51.22 H new ATOM 0 HZ3 LYS A 90 14.809 -0.949 -8.628 1.00 51.22 H new ATOM 1528 N ARG A 91 8.653 2.130 -8.524 1.00 3.31 N ATOM 1529 CA ARG A 91 8.180 3.288 -9.281 1.00 44.35 C ATOM 1530 C ARG A 91 6.849 3.812 -8.724 1.00 21.25 C ATOM 1531 O ARG A 91 6.700 5.007 -8.505 1.00 61.31 O ATOM 1532 CB ARG A 91 8.013 2.965 -10.773 1.00 44.22 C ATOM 1533 CG ARG A 91 7.539 4.175 -11.573 1.00 34.31 C ATOM 1534 CD ARG A 91 7.200 3.846 -13.021 1.00 25.21 C ATOM 1535 NE ARG A 91 6.600 5.003 -13.689 1.00 41.04 N ATOM 1536 CZ ARG A 91 5.848 4.940 -14.753 1.00 62.20 C ATOM 1537 NH1 ARG A 91 5.648 3.815 -15.361 1.00 42.02 N ATOM 1538 NH2 ARG A 91 5.312 6.018 -15.229 1.00 2.41 N ATOM 0 H ARG A 91 8.699 1.262 -9.058 1.00 3.31 H new ATOM 0 HA ARG A 91 8.942 4.060 -9.175 1.00 44.35 H new ATOM 0 HB2 ARG A 91 8.963 2.614 -11.176 1.00 44.22 H new ATOM 0 HB3 ARG A 91 7.297 2.151 -10.889 1.00 44.22 H new ATOM 0 HG2 ARG A 91 6.660 4.600 -11.089 1.00 34.31 H new ATOM 0 HG3 ARG A 91 8.314 4.941 -11.554 1.00 34.31 H new ATOM 0 HD2 ARG A 91 8.103 3.542 -13.551 1.00 25.21 H new ATOM 0 HD3 ARG A 91 6.511 3.002 -13.055 1.00 25.21 H new ATOM 0 HE ARG A 91 6.783 5.925 -13.293 1.00 41.04 H new ATOM 0 HH11 ARG A 91 6.081 2.961 -15.009 1.00 42.02 H new ATOM 0 HH12 ARG A 91 5.057 3.782 -16.192 1.00 42.02 H new ATOM 0 HH21 ARG A 91 5.478 6.915 -14.772 1.00 2.41 H new ATOM 0 HH22 ARG A 91 4.724 5.971 -16.061 1.00 2.41 H new ATOM 1552 N TRP A 92 5.889 2.915 -8.498 1.00 43.41 N ATOM 1553 CA TRP A 92 4.558 3.314 -8.010 1.00 54.14 C ATOM 1554 C TRP A 92 4.631 4.114 -6.698 1.00 20.42 C ATOM 1555 O TRP A 92 3.877 5.073 -6.510 1.00 15.44 O ATOM 1556 CB TRP A 92 3.647 2.087 -7.853 1.00 4.35 C ATOM 1557 CG TRP A 92 3.176 1.539 -9.173 1.00 62.42 C ATOM 1558 CD1 TRP A 92 3.518 0.350 -9.752 1.00 64.31 C ATOM 1559 CD2 TRP A 92 2.282 2.183 -10.087 1.00 75.11 C ATOM 1560 NE1 TRP A 92 2.890 0.218 -10.967 1.00 3.13 N ATOM 1561 CE2 TRP A 92 2.123 1.329 -11.193 1.00 31.43 C ATOM 1562 CE3 TRP A 92 1.593 3.400 -10.071 1.00 50.04 C ATOM 1563 CZ2 TRP A 92 1.308 1.654 -12.275 1.00 20.42 C ATOM 1564 CZ3 TRP A 92 0.786 3.723 -11.145 1.00 53.13 C ATOM 1565 CH2 TRP A 92 0.647 2.852 -12.234 1.00 11.32 C ATOM 0 H TRP A 92 6.002 1.912 -8.642 1.00 43.41 H new ATOM 0 HA TRP A 92 4.127 3.976 -8.761 1.00 54.14 H new ATOM 0 HB2 TRP A 92 4.184 1.308 -7.312 1.00 4.35 H new ATOM 0 HB3 TRP A 92 2.782 2.357 -7.247 1.00 4.35 H new ATOM 0 HD1 TRP A 92 4.185 -0.380 -9.318 1.00 64.31 H new ATOM 0 HE1 TRP A 92 2.981 -0.578 -11.598 1.00 3.13 H new ATOM 0 HE3 TRP A 92 1.690 4.075 -9.234 1.00 50.04 H new ATOM 0 HZ2 TRP A 92 1.201 0.985 -13.116 1.00 20.42 H new ATOM 0 HZ3 TRP A 92 0.253 4.663 -11.145 1.00 53.13 H new ATOM 0 HH2 TRP A 92 0.006 3.131 -13.057 1.00 11.32 H new ATOM 1576 N ILE A 93 5.534 3.728 -5.797 1.00 23.54 N ATOM 1577 CA ILE A 93 5.769 4.499 -4.569 1.00 54.04 C ATOM 1578 C ILE A 93 6.238 5.925 -4.908 1.00 20.14 C ATOM 1579 O ILE A 93 5.775 6.908 -4.316 1.00 52.12 O ATOM 1580 CB ILE A 93 6.816 3.805 -3.659 1.00 21.22 C ATOM 1581 CG1 ILE A 93 6.308 2.420 -3.222 1.00 10.20 C ATOM 1582 CG2 ILE A 93 7.143 4.673 -2.442 1.00 33.34 C ATOM 1583 CD1 ILE A 93 7.289 1.643 -2.364 1.00 2.33 C ATOM 0 H ILE A 93 6.113 2.893 -5.890 1.00 23.54 H new ATOM 0 HA ILE A 93 4.824 4.552 -4.028 1.00 54.04 H new ATOM 0 HB ILE A 93 7.734 3.672 -4.231 1.00 21.22 H new ATOM 0 HG12 ILE A 93 5.377 2.544 -2.669 1.00 10.20 H new ATOM 0 HG13 ILE A 93 6.075 1.833 -4.111 1.00 10.20 H new ATOM 0 HG21 ILE A 93 7.879 4.164 -1.820 1.00 33.34 H new ATOM 0 HG22 ILE A 93 7.547 5.629 -2.775 1.00 33.34 H new ATOM 0 HG23 ILE A 93 6.235 4.845 -1.863 1.00 33.34 H new ATOM 0 HD11 ILE A 93 6.856 0.679 -2.098 1.00 2.33 H new ATOM 0 HD12 ILE A 93 8.213 1.485 -2.920 1.00 2.33 H new ATOM 0 HD13 ILE A 93 7.504 2.207 -1.456 1.00 2.33 H new ATOM 1595 N LYS A 94 7.152 6.028 -5.874 1.00 30.13 N ATOM 1596 CA LYS A 94 7.618 7.326 -6.377 1.00 45.22 C ATOM 1597 C LYS A 94 6.463 8.141 -6.995 1.00 60.34 C ATOM 1598 O LYS A 94 6.233 9.293 -6.619 1.00 52.53 O ATOM 1599 CB LYS A 94 8.732 7.104 -7.413 1.00 42.45 C ATOM 1600 CG LYS A 94 9.186 8.369 -8.135 1.00 20.32 C ATOM 1601 CD LYS A 94 10.310 8.074 -9.127 1.00 41.21 C ATOM 1602 CE LYS A 94 10.706 9.310 -9.925 1.00 70.13 C ATOM 1603 NZ LYS A 94 11.083 10.443 -9.042 1.00 72.34 N ATOM 0 H LYS A 94 7.588 5.225 -6.327 1.00 30.13 H new ATOM 0 HA LYS A 94 8.010 7.900 -5.537 1.00 45.22 H new ATOM 0 HB2 LYS A 94 9.592 6.658 -6.913 1.00 42.45 H new ATOM 0 HB3 LYS A 94 8.384 6.383 -8.153 1.00 42.45 H new ATOM 0 HG2 LYS A 94 8.341 8.812 -8.662 1.00 20.32 H new ATOM 0 HG3 LYS A 94 9.527 9.103 -7.405 1.00 20.32 H new ATOM 0 HD2 LYS A 94 11.179 7.696 -8.588 1.00 41.21 H new ATOM 0 HD3 LYS A 94 9.992 7.287 -9.811 1.00 41.21 H new ATOM 0 HE2 LYS A 94 11.543 9.066 -10.580 1.00 70.13 H new ATOM 0 HE3 LYS A 94 9.876 9.610 -10.566 1.00 70.13 H new ATOM 0 HZ1 LYS A 94 10.544 11.290 -9.314 1.00 72.34 H new ATOM 0 HZ2 LYS A 94 10.869 10.199 -8.054 1.00 72.34 H new ATOM 0 HZ3 LYS A 94 12.101 10.635 -9.138 1.00 72.34 H new ATOM 1617 N GLU A 95 5.734 7.521 -7.929 1.00 54.43 N ATOM 1618 CA GLU A 95 4.601 8.166 -8.616 1.00 63.11 C ATOM 1619 C GLU A 95 3.596 8.752 -7.609 1.00 42.34 C ATOM 1620 O GLU A 95 3.161 9.900 -7.734 1.00 43.34 O ATOM 1621 CB GLU A 95 3.872 7.149 -9.511 1.00 22.45 C ATOM 1622 CG GLU A 95 4.754 6.443 -10.542 1.00 63.41 C ATOM 1623 CD GLU A 95 5.261 7.362 -11.645 1.00 12.41 C ATOM 1624 OE1 GLU A 95 4.432 8.035 -12.289 1.00 52.34 O ATOM 1625 OE2 GLU A 95 6.486 7.381 -11.904 1.00 65.54 O ATOM 0 H GLU A 95 5.908 6.563 -8.232 1.00 54.43 H new ATOM 0 HA GLU A 95 5.005 8.976 -9.224 1.00 63.11 H new ATOM 0 HB2 GLU A 95 3.409 6.395 -8.875 1.00 22.45 H new ATOM 0 HB3 GLU A 95 3.066 7.662 -10.036 1.00 22.45 H new ATOM 0 HG2 GLU A 95 5.608 5.997 -10.032 1.00 63.41 H new ATOM 0 HG3 GLU A 95 4.189 5.627 -10.992 1.00 63.41 H new ATOM 1632 N PHE A 96 3.240 7.947 -6.609 1.00 11.21 N ATOM 1633 CA PHE A 96 2.272 8.348 -5.582 1.00 53.12 C ATOM 1634 C PHE A 96 2.759 9.566 -4.781 1.00 61.25 C ATOM 1635 O PHE A 96 1.997 10.500 -4.532 1.00 14.25 O ATOM 1636 CB PHE A 96 2.003 7.169 -4.638 1.00 10.53 C ATOM 1637 CG PHE A 96 0.968 7.444 -3.572 1.00 74.41 C ATOM 1638 CD1 PHE A 96 -0.383 7.485 -3.892 1.00 14.44 C ATOM 1639 CD2 PHE A 96 1.343 7.656 -2.250 1.00 3.14 C ATOM 1640 CE1 PHE A 96 -1.334 7.733 -2.918 1.00 2.51 C ATOM 1641 CE2 PHE A 96 0.395 7.903 -1.276 1.00 12.22 C ATOM 1642 CZ PHE A 96 -0.944 7.941 -1.611 1.00 52.32 C ATOM 0 H PHE A 96 3.610 7.004 -6.486 1.00 11.21 H new ATOM 0 HA PHE A 96 1.349 8.635 -6.085 1.00 53.12 H new ATOM 0 HB2 PHE A 96 1.678 6.313 -5.230 1.00 10.53 H new ATOM 0 HB3 PHE A 96 2.938 6.886 -4.154 1.00 10.53 H new ATOM 0 HD1 PHE A 96 -0.695 7.321 -4.913 1.00 14.44 H new ATOM 0 HD2 PHE A 96 2.389 7.627 -1.981 1.00 3.14 H new ATOM 0 HE1 PHE A 96 -2.381 7.764 -3.181 1.00 2.51 H new ATOM 0 HE2 PHE A 96 0.701 8.066 -0.253 1.00 12.22 H new ATOM 0 HZ PHE A 96 -1.686 8.133 -0.850 1.00 52.32 H new ATOM 1652 N SER A 97 4.031 9.550 -4.386 1.00 41.41 N ATOM 1653 CA SER A 97 4.612 10.651 -3.602 1.00 35.42 C ATOM 1654 C SER A 97 4.669 11.952 -4.414 1.00 51.25 C ATOM 1655 O SER A 97 4.300 13.021 -3.923 1.00 73.24 O ATOM 1656 CB SER A 97 6.020 10.282 -3.115 1.00 65.33 C ATOM 1657 OG SER A 97 6.574 11.305 -2.294 1.00 65.34 O ATOM 0 H SER A 97 4.681 8.792 -4.593 1.00 41.41 H new ATOM 0 HA SER A 97 3.965 10.814 -2.740 1.00 35.42 H new ATOM 0 HB2 SER A 97 5.979 9.347 -2.555 1.00 65.33 H new ATOM 0 HB3 SER A 97 6.670 10.111 -3.973 1.00 65.33 H new ATOM 0 HG SER A 97 7.045 10.898 -1.537 1.00 65.34 H new ATOM 1663 N GLU A 98 5.123 11.858 -5.665 1.00 25.24 N ATOM 1664 CA GLU A 98 5.215 13.031 -6.545 1.00 31.30 C ATOM 1665 C GLU A 98 3.820 13.565 -6.921 1.00 74.25 C ATOM 1666 O GLU A 98 3.655 14.747 -7.231 1.00 71.51 O ATOM 1667 CB GLU A 98 6.019 12.688 -7.806 1.00 24.15 C ATOM 1668 CG GLU A 98 7.432 12.195 -7.505 1.00 54.23 C ATOM 1669 CD GLU A 98 8.248 11.918 -8.755 1.00 43.22 C ATOM 1670 OE1 GLU A 98 7.823 11.085 -9.578 1.00 51.45 O ATOM 1671 OE2 GLU A 98 9.338 12.513 -8.909 1.00 3.34 O ATOM 0 H GLU A 98 5.433 10.986 -6.093 1.00 25.24 H new ATOM 0 HA GLU A 98 5.734 13.819 -6.000 1.00 31.30 H new ATOM 0 HB2 GLU A 98 5.487 11.922 -8.371 1.00 24.15 H new ATOM 0 HB3 GLU A 98 6.077 13.571 -8.443 1.00 24.15 H new ATOM 0 HG2 GLU A 98 7.948 12.940 -6.900 1.00 54.23 H new ATOM 0 HG3 GLU A 98 7.373 11.285 -6.908 1.00 54.23 H new ATOM 1678 N GLU A 99 2.821 12.685 -6.906 1.00 4.30 N ATOM 1679 CA GLU A 99 1.423 13.097 -7.081 1.00 0.31 C ATOM 1680 C GLU A 99 0.949 13.843 -5.822 1.00 13.15 C ATOM 1681 O GLU A 99 0.421 14.956 -5.896 1.00 44.32 O ATOM 1682 CB GLU A 99 0.540 11.860 -7.338 1.00 10.13 C ATOM 1683 CG GLU A 99 -0.719 12.125 -8.165 1.00 52.15 C ATOM 1684 CD GLU A 99 -1.742 13.014 -7.472 1.00 22.45 C ATOM 1685 OE1 GLU A 99 -2.313 12.582 -6.447 1.00 31.32 O ATOM 1686 OE2 GLU A 99 -1.994 14.137 -7.962 1.00 74.24 O ATOM 0 H GLU A 99 2.950 11.682 -6.775 1.00 4.30 H new ATOM 0 HA GLU A 99 1.343 13.763 -7.940 1.00 0.31 H new ATOM 0 HB2 GLU A 99 1.138 11.105 -7.847 1.00 10.13 H new ATOM 0 HB3 GLU A 99 0.244 11.438 -6.378 1.00 10.13 H new ATOM 0 HG2 GLU A 99 -0.430 12.589 -9.108 1.00 52.15 H new ATOM 0 HG3 GLU A 99 -1.188 11.172 -8.409 1.00 52.15 H new ATOM 1693 N GLY A 100 1.174 13.223 -4.666 1.00 73.35 N ATOM 1694 CA GLY A 100 0.813 13.830 -3.392 1.00 61.00 C ATOM 1695 C GLY A 100 -0.613 13.512 -2.962 1.00 30.12 C ATOM 1696 O GLY A 100 -0.845 12.593 -2.177 1.00 51.34 O ATOM 0 H GLY A 100 1.604 12.302 -4.588 1.00 73.35 H new ATOM 0 HA2 GLY A 100 1.504 13.484 -2.623 1.00 61.00 H new ATOM 0 HA3 GLY A 100 0.932 14.911 -3.465 1.00 61.00 H new ATOM 1700 N GLY A 101 -1.572 14.259 -3.494 1.00 15.21 N ATOM 1701 CA GLY A 101 -2.958 14.089 -3.084 1.00 54.22 C ATOM 1702 C GLY A 101 -3.945 14.846 -3.960 1.00 72.33 C ATOM 1703 O GLY A 101 -3.559 15.701 -4.758 1.00 50.20 O ATOM 0 H GLY A 101 -1.418 14.979 -4.200 1.00 15.21 H new ATOM 0 HA2 GLY A 101 -3.207 13.028 -3.102 1.00 54.22 H new ATOM 0 HA3 GLY A 101 -3.068 14.424 -2.053 1.00 54.22 H new ATOM 1707 N SER A 102 -5.228 14.542 -3.799 1.00 31.24 N ATOM 1708 CA SER A 102 -6.281 15.154 -4.616 1.00 54.24 C ATOM 1709 C SER A 102 -7.147 16.097 -3.779 1.00 52.33 C ATOM 1710 O SER A 102 -8.087 15.668 -3.107 1.00 5.34 O ATOM 1711 CB SER A 102 -7.155 14.070 -5.266 1.00 14.14 C ATOM 1712 OG SER A 102 -7.662 13.168 -4.294 1.00 1.31 O ATOM 0 H SER A 102 -5.570 13.873 -3.109 1.00 31.24 H new ATOM 0 HA SER A 102 -5.800 15.738 -5.401 1.00 54.24 H new ATOM 0 HB2 SER A 102 -7.983 14.538 -5.799 1.00 14.14 H new ATOM 0 HB3 SER A 102 -6.570 13.522 -6.004 1.00 14.14 H new ATOM 0 HG SER A 102 -8.054 13.674 -3.552 1.00 1.31 H new ATOM 1718 N LEU A 103 -6.800 17.380 -3.796 1.00 54.34 N ATOM 1719 CA LEU A 103 -7.568 18.409 -3.087 1.00 12.52 C ATOM 1720 C LEU A 103 -8.619 19.035 -4.013 1.00 42.32 C ATOM 1721 O LEU A 103 -9.695 19.452 -3.572 1.00 74.23 O ATOM 1722 CB LEU A 103 -6.621 19.488 -2.544 1.00 32.21 C ATOM 1723 CG LEU A 103 -5.527 18.976 -1.591 1.00 3.42 C ATOM 1724 CD1 LEU A 103 -4.600 20.112 -1.169 1.00 71.52 C ATOM 1725 CD2 LEU A 103 -6.150 18.300 -0.369 1.00 3.14 C ATOM 0 H LEU A 103 -5.986 17.738 -4.296 1.00 54.34 H new ATOM 0 HA LEU A 103 -8.088 17.942 -2.251 1.00 12.52 H new ATOM 0 HB2 LEU A 103 -6.143 19.987 -3.387 1.00 32.21 H new ATOM 0 HB3 LEU A 103 -7.213 20.240 -2.022 1.00 32.21 H new ATOM 0 HG LEU A 103 -4.931 18.235 -2.123 1.00 3.42 H new ATOM 0 HD11 LEU A 103 -3.835 19.726 -0.496 1.00 71.52 H new ATOM 0 HD12 LEU A 103 -4.124 20.540 -2.051 1.00 71.52 H new ATOM 0 HD13 LEU A 103 -5.178 20.882 -0.658 1.00 71.52 H new ATOM 0 HD21 LEU A 103 -5.360 17.945 0.293 1.00 3.14 H new ATOM 0 HD22 LEU A 103 -6.775 19.017 0.164 1.00 3.14 H new ATOM 0 HD23 LEU A 103 -6.760 17.456 -0.691 1.00 3.14 H new ATOM 1737 N GLU A 104 -8.295 19.093 -5.305 1.00 42.04 N ATOM 1738 CA GLU A 104 -9.220 19.599 -6.323 1.00 44.24 C ATOM 1739 C GLU A 104 -10.422 18.651 -6.512 1.00 4.33 C ATOM 1740 O GLU A 104 -10.394 17.730 -7.333 1.00 11.25 O ATOM 1741 CB GLU A 104 -8.482 19.808 -7.658 1.00 22.23 C ATOM 1742 CG GLU A 104 -7.717 18.577 -8.142 1.00 4.24 C ATOM 1743 CD GLU A 104 -7.072 18.774 -9.504 1.00 11.52 C ATOM 1744 OE1 GLU A 104 -7.757 18.562 -10.527 1.00 45.24 O ATOM 1745 OE2 GLU A 104 -5.874 19.129 -9.561 1.00 2.04 O ATOM 0 H GLU A 104 -7.393 18.794 -5.675 1.00 42.04 H new ATOM 0 HA GLU A 104 -9.606 20.559 -5.979 1.00 44.24 H new ATOM 0 HB2 GLU A 104 -9.205 20.097 -8.420 1.00 22.23 H new ATOM 0 HB3 GLU A 104 -7.784 20.638 -7.550 1.00 22.23 H new ATOM 0 HG2 GLU A 104 -6.945 18.326 -7.414 1.00 4.24 H new ATOM 0 HG3 GLU A 104 -8.399 17.728 -8.189 1.00 4.24 H new ATOM 1752 N HIS A 105 -11.468 18.861 -5.719 1.00 0.42 N ATOM 1753 CA HIS A 105 -12.688 18.055 -5.822 1.00 44.31 C ATOM 1754 C HIS A 105 -13.709 18.708 -6.768 1.00 43.22 C ATOM 1755 O HIS A 105 -14.245 19.780 -6.482 1.00 10.00 O ATOM 1756 CB HIS A 105 -13.305 17.838 -4.436 1.00 65.45 C ATOM 1757 CG HIS A 105 -12.378 17.176 -3.456 1.00 54.24 C ATOM 1758 ND1 HIS A 105 -11.722 15.990 -3.718 1.00 21.24 N ATOM 1759 CD2 HIS A 105 -11.999 17.539 -2.206 1.00 34.50 C ATOM 1760 CE1 HIS A 105 -10.992 15.653 -2.674 1.00 61.31 C ATOM 1761 NE2 HIS A 105 -11.140 16.573 -1.745 1.00 11.12 N ATOM 0 H HIS A 105 -11.499 19.581 -4.997 1.00 0.42 H new ATOM 0 HA HIS A 105 -12.415 17.086 -6.240 1.00 44.31 H new ATOM 0 HB2 HIS A 105 -13.617 18.801 -4.033 1.00 65.45 H new ATOM 0 HB3 HIS A 105 -14.203 17.230 -4.540 1.00 65.45 H new ATOM 0 HD2 HIS A 105 -12.314 18.423 -1.672 1.00 34.50 H new ATOM 0 HE1 HIS A 105 -10.376 14.770 -2.594 1.00 61.31 H new ATOM 0 HE2 HIS A 105 -10.689 16.569 -0.830 1.00 11.12 H new ATOM 1770 N HIS A 106 -13.975 18.045 -7.890 1.00 42.11 N ATOM 1771 CA HIS A 106 -14.868 18.571 -8.929 1.00 30.05 C ATOM 1772 C HIS A 106 -16.308 18.781 -8.412 1.00 22.11 C ATOM 1773 O HIS A 106 -16.980 17.831 -8.014 1.00 2.24 O ATOM 1774 CB HIS A 106 -14.875 17.608 -10.121 1.00 21.24 C ATOM 1775 CG HIS A 106 -15.639 18.105 -11.308 1.00 24.43 C ATOM 1776 ND1 HIS A 106 -16.879 17.618 -11.663 1.00 53.02 N ATOM 1777 CD2 HIS A 106 -15.325 19.036 -12.238 1.00 54.35 C ATOM 1778 CE1 HIS A 106 -17.291 18.225 -12.754 1.00 75.51 C ATOM 1779 NE2 HIS A 106 -16.371 19.090 -13.127 1.00 51.22 N ATOM 0 H HIS A 106 -13.581 17.130 -8.108 1.00 42.11 H new ATOM 0 HA HIS A 106 -14.491 19.547 -9.233 1.00 30.05 H new ATOM 0 HB2 HIS A 106 -13.846 17.413 -10.422 1.00 21.24 H new ATOM 0 HB3 HIS A 106 -15.300 16.656 -9.802 1.00 21.24 H new ATOM 0 HD2 HIS A 106 -14.421 19.626 -12.275 1.00 54.35 H new ATOM 0 HE1 HIS A 106 -18.228 18.044 -13.260 1.00 75.51 H new ATOM 0 HE2 HIS A 106 -16.426 19.700 -13.942 1.00 51.22 H new ATOM 1788 N HIS A 107 -16.768 20.035 -8.425 1.00 0.43 N ATOM 1789 CA HIS A 107 -18.141 20.377 -8.016 1.00 75.34 C ATOM 1790 C HIS A 107 -18.693 21.552 -8.841 1.00 23.42 C ATOM 1791 O HIS A 107 -17.966 22.497 -9.156 1.00 53.52 O ATOM 1792 CB HIS A 107 -18.197 20.737 -6.522 1.00 44.35 C ATOM 1793 CG HIS A 107 -17.956 19.576 -5.604 1.00 50.55 C ATOM 1794 ND1 HIS A 107 -18.868 18.560 -5.427 1.00 23.20 N ATOM 1795 CD2 HIS A 107 -16.908 19.275 -4.801 1.00 34.40 C ATOM 1796 CE1 HIS A 107 -18.396 17.690 -4.559 1.00 2.42 C ATOM 1797 NE2 HIS A 107 -17.209 18.097 -4.161 1.00 3.31 N ATOM 0 H HIS A 107 -16.209 20.837 -8.715 1.00 0.43 H new ATOM 0 HA HIS A 107 -18.758 19.497 -8.197 1.00 75.34 H new ATOM 0 HB2 HIS A 107 -17.455 21.509 -6.317 1.00 44.35 H new ATOM 0 HB3 HIS A 107 -19.174 21.166 -6.299 1.00 44.35 H new ATOM 0 HD2 HIS A 107 -16.003 19.854 -4.685 1.00 34.40 H new ATOM 0 HE1 HIS A 107 -18.898 16.793 -4.229 1.00 2.42 H new ATOM 0 HE2 HIS A 107 -16.611 17.617 -3.488 1.00 3.31 H new ATOM 1806 N HIS A 108 -19.981 21.496 -9.176 1.00 10.33 N ATOM 1807 CA HIS A 108 -20.630 22.572 -9.935 1.00 34.44 C ATOM 1808 C HIS A 108 -20.755 23.847 -9.084 1.00 43.11 C ATOM 1809 O HIS A 108 -21.285 23.811 -7.973 1.00 73.10 O ATOM 1810 CB HIS A 108 -22.016 22.121 -10.410 1.00 4.05 C ATOM 1811 CG HIS A 108 -22.722 23.131 -11.266 1.00 33.00 C ATOM 1812 ND1 HIS A 108 -23.603 24.068 -10.764 1.00 11.34 N ATOM 1813 CD2 HIS A 108 -22.670 23.352 -12.602 1.00 31.42 C ATOM 1814 CE1 HIS A 108 -24.055 24.818 -11.749 1.00 24.51 C ATOM 1815 NE2 HIS A 108 -23.506 24.408 -12.873 1.00 53.24 N ATOM 0 H HIS A 108 -20.598 20.720 -8.936 1.00 10.33 H new ATOM 0 HA HIS A 108 -20.010 22.798 -10.803 1.00 34.44 H new ATOM 0 HB2 HIS A 108 -21.913 21.192 -10.971 1.00 4.05 H new ATOM 0 HB3 HIS A 108 -22.634 21.901 -9.540 1.00 4.05 H new ATOM 0 HD2 HIS A 108 -22.081 22.801 -13.320 1.00 31.42 H new ATOM 0 HE1 HIS A 108 -24.758 25.632 -11.651 1.00 24.51 H new ATOM 0 HE2 HIS A 108 -23.674 24.809 -13.796 1.00 53.24 H new ATOM 1824 N HIS A 109 -20.276 24.972 -9.610 1.00 31.22 N ATOM 1825 CA HIS A 109 -20.290 26.237 -8.869 1.00 30.52 C ATOM 1826 C HIS A 109 -21.723 26.693 -8.543 1.00 74.32 C ATOM 1827 O HIS A 109 -22.514 26.984 -9.441 1.00 40.25 O ATOM 1828 CB HIS A 109 -19.559 27.328 -9.658 1.00 62.33 C ATOM 1829 CG HIS A 109 -19.483 28.639 -8.933 1.00 33.40 C ATOM 1830 ND1 HIS A 109 -20.205 29.751 -9.306 1.00 13.32 N ATOM 1831 CD2 HIS A 109 -18.771 29.009 -7.841 1.00 13.01 C ATOM 1832 CE1 HIS A 109 -19.946 30.741 -8.479 1.00 72.42 C ATOM 1833 NE2 HIS A 109 -19.080 30.320 -7.583 1.00 52.10 N ATOM 0 H HIS A 109 -19.873 25.036 -10.545 1.00 31.22 H new ATOM 0 HA HIS A 109 -19.771 26.067 -7.926 1.00 30.52 H new ATOM 0 HB2 HIS A 109 -18.549 26.987 -9.884 1.00 62.33 H new ATOM 0 HB3 HIS A 109 -20.066 27.478 -10.611 1.00 62.33 H new ATOM 0 HD2 HIS A 109 -18.089 28.388 -7.279 1.00 13.01 H new ATOM 0 HE1 HIS A 109 -20.372 31.732 -8.528 1.00 72.42 H new ATOM 0 HE2 HIS A 109 -18.699 30.879 -6.819 1.00 52.10 H new ATOM 1842 N HIS A 110 -22.044 26.744 -7.250 1.00 20.41 N ATOM 1843 CA HIS A 110 -23.355 27.222 -6.786 1.00 42.10 C ATOM 1844 C HIS A 110 -23.379 28.763 -6.666 1.00 34.54 C ATOM 1845 O HIS A 110 -23.869 29.433 -7.604 1.00 38.08 O ATOM 1846 CB HIS A 110 -23.702 26.569 -5.436 1.00 4.14 C ATOM 1847 CG HIS A 110 -25.019 27.010 -4.865 1.00 3.14 C ATOM 1848 ND1 HIS A 110 -25.125 27.839 -3.770 1.00 52.43 N ATOM 1849 CD2 HIS A 110 -26.293 26.731 -5.242 1.00 14.04 C ATOM 1850 CE1 HIS A 110 -26.395 28.050 -3.499 1.00 1.21 C ATOM 1851 NE2 HIS A 110 -27.124 27.394 -4.374 1.00 32.42 N ATOM 1852 OXT HIS A 110 -22.903 29.293 -5.638 1.00 38.08 O ATOM 0 H HIS A 110 -21.414 26.460 -6.500 1.00 20.41 H new ATOM 0 HA HIS A 110 -24.105 26.936 -7.523 1.00 42.10 H new ATOM 0 HB2 HIS A 110 -23.716 25.486 -5.561 1.00 4.14 H new ATOM 0 HB3 HIS A 110 -22.912 26.797 -4.720 1.00 4.14 H new ATOM 0 HD2 HIS A 110 -26.595 26.105 -6.069 1.00 14.04 H new ATOM 0 HE1 HIS A 110 -26.775 28.660 -2.693 1.00 1.21 H new ATOM 0 HE2 HIS A 110 -28.143 27.380 -4.403 1.00 32.42 H new TER 1861 HIS A 110