USER MOD reduce.3.24.130724 H: found=0, std=0, add=669, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 669 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 13 ASN : amide:sc= -0.0132 K(o=-0.23,f=0.99) USER MOD Set 1.2: A 24 ASN : amide:sc= -0.213 K(o=-0.23,f=0.99) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0068) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 6 HIS : no HD1:sc= -0.0937 X(o=-0.094,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= -0.019 (180deg=-0.24) USER MOD Single : A 17 SER OG : rot 80:sc= 0.696 USER MOD Single : A 19 MET CE :methyl 164:sc= -0.0758 (180deg=-0.446) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= -0.0155 (180deg=-0.223) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 168:sc= -0.018 (180deg=-0.18) USER MOD Single : A 35 SER OG : rot 9:sc= 1.09 USER MOD Single : A 36 GLN : amide:sc= -0.556 K(o=-0.56,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.352 K(o=0.35,f=-2.5!) USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= -0.196 (180deg=-0.313) USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0168) USER MOD Single : A 44 MET CE :methyl 169:sc= -0.322 (180deg=-0.509) USER MOD Single : A 45 SER OG : rot -136:sc= -3.16! USER MOD Single : A 47 GLN : amide:sc= -0.946 X(o=-0.95,f=-0.53) USER MOD Single : A 48 CYS SG : rot -170:sc= -7.23! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot -130:sc= -2.15! USER MOD Single : A 52 MET CE :methyl -139:sc= -0.102 (180deg=-0.494) USER MOD Single : A 53 GLN : amide:sc= -3.54! K(o=-3.5!,f=-0.38) USER MOD Single : A 54 THR OG1 : rot 111:sc= 0.741 USER MOD Single : A 57 CYS SG : rot 38:sc= 0.971 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0085 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.121) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0.128 K(o=0.13,f=-7.1!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= -0.335 K(o=-0.33,f=-0.87) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -0.0385 X(o=-0.038,f=-0.00076) USER MOD Single : A 85 LYS NZ :NH3+ -133:sc= 1.21 (180deg=-0.791) USER MOD Single : A 86 LYS NZ :NH3+ -170:sc= -0.0268 (180deg=-0.171) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 39.730 10.599 6.979 1.00 19.14 N ATOM 2 CA GLY A 1 38.602 9.693 6.745 1.00 18.53 C ATOM 3 C GLY A 1 38.654 9.070 5.382 1.00 18.04 C ATOM 4 O GLY A 1 39.624 8.442 5.033 1.00 17.99 O ATOM 0 H1 GLY A 1 39.655 11.008 7.932 1.00 19.14 H new ATOM 0 H2 GLY A 1 40.622 10.071 6.898 1.00 19.14 H new ATOM 0 H3 GLY A 1 39.714 11.362 6.273 1.00 19.14 H new ATOM 0 HA2 GLY A 1 38.604 8.909 7.502 1.00 18.53 H new ATOM 0 HA3 GLY A 1 37.667 10.242 6.857 1.00 18.53 H new ATOM 10 N HIS A 2 37.607 9.243 4.605 1.00 17.81 N ATOM 11 CA HIS A 2 37.538 8.631 3.271 1.00 17.49 C ATOM 12 C HIS A 2 37.629 9.715 2.197 1.00 16.98 C ATOM 13 O HIS A 2 37.715 10.894 2.530 1.00 17.17 O ATOM 14 CB HIS A 2 36.260 7.779 3.101 1.00 17.97 C ATOM 15 CG HIS A 2 36.164 6.575 4.023 1.00 18.64 C ATOM 16 ND1 HIS A 2 36.570 5.308 3.656 1.00 19.07 N ATOM 17 CD2 HIS A 2 35.687 6.456 5.290 1.00 19.08 C ATOM 18 CE1 HIS A 2 36.329 4.459 4.636 1.00 19.72 C ATOM 19 NE2 HIS A 2 35.796 5.128 5.645 1.00 19.74 N ATOM 0 H HIS A 2 36.790 9.797 4.861 1.00 17.81 H new ATOM 0 HA HIS A 2 38.386 7.955 3.159 1.00 17.49 H new ATOM 0 HB2 HIS A 2 35.392 8.416 3.268 1.00 17.97 H new ATOM 0 HB3 HIS A 2 36.207 7.433 2.069 1.00 17.97 H new ATOM 0 HD2 HIS A 2 35.295 7.253 5.904 1.00 19.08 H new ATOM 0 HE1 HIS A 2 36.532 3.398 4.618 1.00 19.72 H new ATOM 0 HE2 HIS A 2 35.512 4.727 6.539 1.00 19.74 H new ATOM 28 N HIS A 3 37.598 9.335 0.935 1.00 16.46 N ATOM 29 CA HIS A 3 37.744 10.318 -0.149 1.00 16.07 C ATOM 30 C HIS A 3 36.404 10.750 -0.718 1.00 15.28 C ATOM 31 O HIS A 3 36.084 11.927 -0.730 1.00 15.31 O ATOM 32 CB HIS A 3 38.698 9.824 -1.255 1.00 16.31 C ATOM 33 CG HIS A 3 40.120 9.681 -0.788 1.00 16.79 C ATOM 34 ND1 HIS A 3 40.752 8.473 -0.616 1.00 17.14 N ATOM 35 CD2 HIS A 3 41.036 10.621 -0.463 1.00 17.13 C ATOM 36 CE1 HIS A 3 41.982 8.680 -0.203 1.00 17.67 C ATOM 37 NE2 HIS A 3 42.177 9.962 -0.104 1.00 17.67 N ATOM 0 H HIS A 3 37.476 8.371 0.626 1.00 16.46 H new ATOM 0 HA HIS A 3 38.200 11.202 0.297 1.00 16.07 H new ATOM 0 HB2 HIS A 3 38.346 8.862 -1.627 1.00 16.31 H new ATOM 0 HB3 HIS A 3 38.665 10.521 -2.092 1.00 16.31 H new ATOM 0 HD2 HIS A 3 40.892 11.691 -0.483 1.00 17.13 H new ATOM 0 HE1 HIS A 3 42.710 7.913 0.018 1.00 17.67 H new ATOM 0 HE2 HIS A 3 43.046 10.406 0.195 1.00 17.67 H new ATOM 46 N HIS A 4 35.617 9.802 -1.175 1.00 14.74 N ATOM 47 CA HIS A 4 34.322 10.135 -1.737 1.00 14.10 C ATOM 48 C HIS A 4 33.243 9.224 -1.154 1.00 13.70 C ATOM 49 O HIS A 4 33.276 7.989 -1.314 1.00 14.01 O ATOM 50 CB HIS A 4 34.351 10.061 -3.280 1.00 13.88 C ATOM 51 CG HIS A 4 33.094 10.553 -3.938 1.00 13.85 C ATOM 52 ND1 HIS A 4 32.918 11.848 -4.336 1.00 14.10 N ATOM 53 CD2 HIS A 4 31.940 9.911 -4.260 1.00 13.80 C ATOM 54 CE1 HIS A 4 31.726 11.988 -4.865 1.00 14.18 C ATOM 55 NE2 HIS A 4 31.110 10.825 -4.834 1.00 14.00 N ATOM 0 H HIS A 4 35.844 8.807 -1.171 1.00 14.74 H new ATOM 0 HA HIS A 4 34.080 11.163 -1.467 1.00 14.10 H new ATOM 0 HB2 HIS A 4 35.194 10.647 -3.646 1.00 13.88 H new ATOM 0 HB3 HIS A 4 34.526 9.028 -3.581 1.00 13.88 H new ATOM 0 HD2 HIS A 4 31.721 8.867 -4.091 1.00 13.80 H new ATOM 0 HE1 HIS A 4 31.317 12.906 -5.261 1.00 14.18 H new ATOM 0 HE2 HIS A 4 30.169 10.640 -5.182 1.00 14.00 H new ATOM 64 N HIS A 5 32.289 9.838 -0.489 1.00 13.18 N ATOM 65 CA HIS A 5 31.198 9.112 0.146 1.00 12.93 C ATOM 66 C HIS A 5 30.034 8.923 -0.824 1.00 12.32 C ATOM 67 O HIS A 5 29.288 9.848 -1.089 1.00 12.40 O ATOM 68 CB HIS A 5 30.759 9.845 1.435 1.00 13.06 C ATOM 69 CG HIS A 5 29.569 9.252 2.160 1.00 13.43 C ATOM 70 ND1 HIS A 5 28.510 10.012 2.588 1.00 13.64 N ATOM 71 CD2 HIS A 5 29.300 7.984 2.554 1.00 13.81 C ATOM 72 CE1 HIS A 5 27.643 9.248 3.205 1.00 14.12 C ATOM 73 NE2 HIS A 5 28.097 8.010 3.200 1.00 14.24 N ATOM 0 H HIS A 5 32.243 10.850 -0.370 1.00 13.18 H new ATOM 0 HA HIS A 5 31.546 8.117 0.425 1.00 12.93 H new ATOM 0 HB2 HIS A 5 31.604 9.868 2.123 1.00 13.06 H new ATOM 0 HB3 HIS A 5 30.527 10.879 1.181 1.00 13.06 H new ATOM 0 HD2 HIS A 5 29.920 7.116 2.388 1.00 13.81 H new ATOM 0 HE1 HIS A 5 26.713 9.577 3.644 1.00 14.12 H new ATOM 0 HE2 HIS A 5 27.627 7.204 3.611 1.00 14.24 H new ATOM 82 N HIS A 6 29.910 7.717 -1.364 1.00 11.88 N ATOM 83 CA HIS A 6 28.804 7.398 -2.272 1.00 11.42 C ATOM 84 C HIS A 6 27.544 7.098 -1.462 1.00 10.42 C ATOM 85 O HIS A 6 27.640 6.756 -0.270 1.00 10.22 O ATOM 86 CB HIS A 6 29.151 6.213 -3.237 1.00 11.97 C ATOM 87 CG HIS A 6 29.418 4.869 -2.586 1.00 12.55 C ATOM 88 ND1 HIS A 6 30.663 4.264 -2.571 1.00 12.82 N ATOM 89 CD2 HIS A 6 28.584 3.998 -1.964 1.00 13.11 C ATOM 90 CE1 HIS A 6 30.571 3.088 -1.969 1.00 13.49 C ATOM 91 NE2 HIS A 6 29.324 2.903 -1.594 1.00 13.67 N ATOM 0 H HIS A 6 30.555 6.945 -1.194 1.00 11.88 H new ATOM 0 HA HIS A 6 28.625 8.268 -2.904 1.00 11.42 H new ATOM 0 HB2 HIS A 6 28.328 6.094 -3.941 1.00 11.97 H new ATOM 0 HB3 HIS A 6 30.030 6.492 -3.818 1.00 11.97 H new ATOM 0 HD2 HIS A 6 27.528 4.141 -1.791 1.00 13.11 H new ATOM 0 HE1 HIS A 6 31.385 2.396 -1.812 1.00 13.49 H new ATOM 0 HE2 HIS A 6 28.966 2.081 -1.108 1.00 13.67 H new ATOM 100 N HIS A 7 26.391 7.228 -2.084 1.00 9.98 N ATOM 101 CA HIS A 7 25.124 6.968 -1.411 1.00 9.18 C ATOM 102 C HIS A 7 24.131 6.368 -2.393 1.00 9.04 C ATOM 103 O HIS A 7 24.265 6.602 -3.597 1.00 9.71 O ATOM 104 CB HIS A 7 24.547 8.257 -0.752 1.00 9.12 C ATOM 105 CG HIS A 7 24.140 9.383 -1.697 1.00 9.44 C ATOM 106 ND1 HIS A 7 22.834 9.816 -1.828 1.00 9.56 N ATOM 107 CD2 HIS A 7 24.876 10.198 -2.504 1.00 9.92 C ATOM 108 CE1 HIS A 7 22.784 10.832 -2.665 1.00 10.08 C ATOM 109 NE2 HIS A 7 24.003 11.085 -3.094 1.00 10.30 N ATOM 0 H HIS A 7 26.299 7.513 -3.059 1.00 9.98 H new ATOM 0 HA HIS A 7 25.305 6.253 -0.609 1.00 9.18 H new ATOM 0 HB2 HIS A 7 23.675 7.977 -0.161 1.00 9.12 H new ATOM 0 HB3 HIS A 7 25.291 8.647 -0.058 1.00 9.12 H new ATOM 0 HD2 HIS A 7 25.945 10.156 -2.653 1.00 9.92 H new ATOM 0 HE1 HIS A 7 21.892 11.368 -2.952 1.00 10.08 H new ATOM 0 HE2 HIS A 7 24.259 11.818 -3.755 1.00 10.30 H new ATOM 118 N LEU A 8 23.148 5.586 -1.868 1.00 8.37 N ATOM 119 CA LEU A 8 22.105 4.900 -2.678 1.00 8.37 C ATOM 120 C LEU A 8 22.736 3.705 -3.407 1.00 8.86 C ATOM 121 O LEU A 8 22.456 2.543 -3.079 1.00 9.23 O ATOM 122 CB LEU A 8 21.380 5.910 -3.649 1.00 9.01 C ATOM 123 CG LEU A 8 20.096 5.445 -4.432 1.00 9.38 C ATOM 124 CD1 LEU A 8 20.360 4.328 -5.434 1.00 9.11 C ATOM 125 CD2 LEU A 8 18.986 5.041 -3.472 1.00 10.10 C ATOM 0 H LEU A 8 23.057 5.414 -0.867 1.00 8.37 H new ATOM 0 HA LEU A 8 21.324 4.513 -2.024 1.00 8.37 H new ATOM 0 HB2 LEU A 8 21.106 6.787 -3.063 1.00 9.01 H new ATOM 0 HB3 LEU A 8 22.113 6.237 -4.387 1.00 9.01 H new ATOM 0 HG LEU A 8 19.776 6.311 -5.011 1.00 9.38 H new ATOM 0 HD11 LEU A 8 19.429 4.061 -5.935 1.00 9.11 H new ATOM 0 HD12 LEU A 8 21.086 4.667 -6.174 1.00 9.11 H new ATOM 0 HD13 LEU A 8 20.754 3.456 -4.912 1.00 9.11 H new ATOM 0 HD21 LEU A 8 18.111 4.724 -4.040 1.00 10.10 H new ATOM 0 HD22 LEU A 8 19.329 4.218 -2.845 1.00 10.10 H new ATOM 0 HD23 LEU A 8 18.722 5.891 -2.843 1.00 10.10 H new ATOM 137 N GLU A 9 23.603 3.983 -4.362 1.00 9.12 N ATOM 138 CA GLU A 9 24.265 2.934 -5.080 1.00 9.86 C ATOM 139 C GLU A 9 25.493 2.488 -4.328 1.00 9.89 C ATOM 140 O GLU A 9 26.542 3.157 -4.328 1.00 10.56 O ATOM 141 CB GLU A 9 24.581 3.324 -6.536 1.00 10.56 C ATOM 142 CG GLU A 9 25.310 2.232 -7.311 1.00 11.13 C ATOM 143 CD GLU A 9 25.477 2.526 -8.782 1.00 11.53 C ATOM 144 OE1 GLU A 9 26.239 3.455 -9.114 1.00 11.87 O ATOM 145 OE2 GLU A 9 24.858 1.856 -9.613 1.00 11.70 O ATOM 0 H GLU A 9 23.859 4.927 -4.651 1.00 9.12 H new ATOM 0 HA GLU A 9 23.581 2.088 -5.147 1.00 9.86 H new ATOM 0 HB2 GLU A 9 23.650 3.564 -7.050 1.00 10.56 H new ATOM 0 HB3 GLU A 9 25.189 4.229 -6.538 1.00 10.56 H new ATOM 0 HG2 GLU A 9 26.294 2.082 -6.868 1.00 11.13 H new ATOM 0 HG3 GLU A 9 24.764 1.295 -7.198 1.00 11.13 H new ATOM 152 N GLY A 10 25.332 1.399 -3.642 1.00 9.36 N ATOM 153 CA GLY A 10 26.389 0.849 -2.869 1.00 9.60 C ATOM 154 C GLY A 10 26.251 1.223 -1.423 1.00 8.87 C ATOM 155 O GLY A 10 26.048 2.392 -1.091 1.00 9.04 O ATOM 0 H GLY A 10 24.461 0.870 -3.606 1.00 9.36 H new ATOM 0 HA2 GLY A 10 26.390 -0.236 -2.969 1.00 9.60 H new ATOM 0 HA3 GLY A 10 27.346 1.205 -3.250 1.00 9.60 H new ATOM 159 N GLY A 11 26.362 0.252 -0.563 1.00 8.30 N ATOM 160 CA GLY A 11 26.204 0.513 0.833 1.00 7.80 C ATOM 161 C GLY A 11 27.214 -0.221 1.652 1.00 8.13 C ATOM 162 O GLY A 11 28.372 -0.334 1.257 1.00 8.45 O ATOM 0 H GLY A 11 26.560 -0.719 -0.804 1.00 8.30 H new ATOM 0 HA2 GLY A 11 26.297 1.584 1.015 1.00 7.80 H new ATOM 0 HA3 GLY A 11 25.201 0.222 1.146 1.00 7.80 H new ATOM 166 N GLY A 12 26.775 -0.739 2.769 1.00 8.34 N ATOM 167 CA GLY A 12 27.639 -1.451 3.671 1.00 8.95 C ATOM 168 C GLY A 12 27.064 -1.424 5.063 1.00 8.79 C ATOM 169 O GLY A 12 26.583 -2.448 5.560 1.00 9.24 O ATOM 0 H GLY A 12 25.805 -0.678 3.079 1.00 8.34 H new ATOM 0 HA2 GLY A 12 27.757 -2.482 3.337 1.00 8.95 H new ATOM 0 HA3 GLY A 12 28.631 -1.000 3.670 1.00 8.95 H new ATOM 173 N ASN A 13 27.083 -0.215 5.668 1.00 8.39 N ATOM 174 CA ASN A 13 26.553 0.045 7.032 1.00 8.53 C ATOM 175 C ASN A 13 27.459 -0.548 8.127 1.00 9.29 C ATOM 176 O ASN A 13 28.095 -1.583 7.925 1.00 9.68 O ATOM 177 CB ASN A 13 25.087 -0.439 7.209 1.00 8.84 C ATOM 178 CG ASN A 13 24.084 0.292 6.320 1.00 9.25 C ATOM 179 OD1 ASN A 13 23.066 -0.272 5.920 1.00 9.50 O ATOM 180 ND2 ASN A 13 24.352 1.559 6.022 1.00 9.58 N ATOM 0 H ASN A 13 27.469 0.617 5.222 1.00 8.39 H new ATOM 0 HA ASN A 13 26.551 1.129 7.147 1.00 8.53 H new ATOM 0 HB2 ASN A 13 25.038 -1.506 6.994 1.00 8.84 H new ATOM 0 HB3 ASN A 13 24.795 -0.310 8.251 1.00 8.84 H new ATOM 0 HD21 ASN A 13 23.704 2.095 5.445 1.00 9.58 H new ATOM 0 HD22 ASN A 13 25.206 1.995 6.371 1.00 9.58 H new ATOM 187 N ALA A 14 27.522 0.117 9.284 1.00 9.70 N ATOM 188 CA ALA A 14 28.377 -0.328 10.401 1.00 10.58 C ATOM 189 C ALA A 14 28.081 0.458 11.687 1.00 11.08 C ATOM 190 O ALA A 14 27.446 -0.050 12.607 1.00 11.12 O ATOM 191 CB ALA A 14 29.860 -0.212 10.043 1.00 10.70 C ATOM 0 H ALA A 14 26.992 0.967 9.477 1.00 9.70 H new ATOM 0 HA ALA A 14 28.144 -1.377 10.583 1.00 10.58 H new ATOM 0 HB1 ALA A 14 30.465 -0.547 10.886 1.00 10.70 H new ATOM 0 HB2 ALA A 14 30.074 -0.833 9.173 1.00 10.70 H new ATOM 0 HB3 ALA A 14 30.099 0.827 9.815 1.00 10.70 H new ATOM 197 N GLN A 15 28.531 1.697 11.725 1.00 11.67 N ATOM 198 CA GLN A 15 28.350 2.546 12.883 1.00 12.40 C ATOM 199 C GLN A 15 27.438 3.708 12.554 1.00 12.25 C ATOM 200 O GLN A 15 27.525 4.267 11.469 1.00 12.05 O ATOM 201 CB GLN A 15 29.706 3.063 13.410 1.00 13.27 C ATOM 202 CG GLN A 15 30.520 3.864 12.406 1.00 13.75 C ATOM 203 CD GLN A 15 31.785 4.424 13.018 1.00 14.68 C ATOM 204 OE1 GLN A 15 31.788 5.547 13.536 1.00 15.07 O ATOM 205 NE2 GLN A 15 32.848 3.654 12.979 1.00 15.18 N ATOM 0 H GLN A 15 29.031 2.141 10.955 1.00 11.67 H new ATOM 0 HA GLN A 15 27.885 1.948 13.667 1.00 12.40 H new ATOM 0 HB2 GLN A 15 29.525 3.684 14.287 1.00 13.27 H new ATOM 0 HB3 GLN A 15 30.300 2.211 13.740 1.00 13.27 H new ATOM 0 HG2 GLN A 15 30.778 3.228 11.559 1.00 13.75 H new ATOM 0 HG3 GLN A 15 29.913 4.682 12.017 1.00 13.75 H new ATOM 0 HE21 GLN A 15 32.796 2.735 12.540 1.00 15.18 H new ATOM 0 HE22 GLN A 15 33.726 3.975 13.387 1.00 15.18 H new ATOM 214 N LYS A 16 26.521 4.015 13.477 1.00 12.53 N ATOM 215 CA LYS A 16 25.576 5.167 13.365 1.00 12.66 C ATOM 216 C LYS A 16 24.527 4.981 12.231 1.00 11.86 C ATOM 217 O LYS A 16 23.532 5.717 12.168 1.00 12.01 O ATOM 218 CB LYS A 16 26.326 6.511 13.174 1.00 12.80 C ATOM 219 CG LYS A 16 27.310 6.964 14.291 1.00 13.55 C ATOM 220 CD LYS A 16 26.636 7.328 15.639 1.00 14.34 C ATOM 221 CE LYS A 16 26.262 6.115 16.511 1.00 15.06 C ATOM 222 NZ LYS A 16 27.453 5.326 16.912 1.00 15.42 N ATOM 0 H LYS A 16 26.400 3.477 14.335 1.00 12.53 H new ATOM 0 HA LYS A 16 25.037 5.196 14.312 1.00 12.66 H new ATOM 0 HB2 LYS A 16 26.885 6.451 12.240 1.00 12.80 H new ATOM 0 HB3 LYS A 16 25.579 7.295 13.049 1.00 12.80 H new ATOM 0 HG2 LYS A 16 28.033 6.167 14.465 1.00 13.55 H new ATOM 0 HG3 LYS A 16 27.869 7.829 13.935 1.00 13.55 H new ATOM 0 HD2 LYS A 16 27.308 7.973 16.205 1.00 14.34 H new ATOM 0 HD3 LYS A 16 25.734 7.906 15.436 1.00 14.34 H new ATOM 0 HE2 LYS A 16 25.738 6.458 17.403 1.00 15.06 H new ATOM 0 HE3 LYS A 16 25.571 5.474 15.963 1.00 15.06 H new ATOM 0 HZ1 LYS A 16 27.198 4.684 17.689 1.00 15.42 H new ATOM 0 HZ2 LYS A 16 27.791 4.771 16.100 1.00 15.42 H new ATOM 0 HZ3 LYS A 16 28.206 5.970 17.228 1.00 15.42 H new ATOM 236 N SER A 17 24.725 3.984 11.387 1.00 11.21 N ATOM 237 CA SER A 17 23.885 3.728 10.227 1.00 10.50 C ATOM 238 C SER A 17 22.542 3.040 10.575 1.00 10.66 C ATOM 239 O SER A 17 21.969 2.320 9.746 1.00 10.17 O ATOM 240 CB SER A 17 24.689 2.902 9.220 1.00 10.42 C ATOM 241 OG SER A 17 25.284 1.764 9.842 1.00 10.72 O ATOM 0 H SER A 17 25.489 3.316 11.489 1.00 11.21 H new ATOM 0 HA SER A 17 23.605 4.688 9.794 1.00 10.50 H new ATOM 0 HB2 SER A 17 24.037 2.577 8.410 1.00 10.42 H new ATOM 0 HB3 SER A 17 25.466 3.523 8.774 1.00 10.42 H new ATOM 0 HG SER A 17 24.614 1.055 9.937 1.00 10.72 H new ATOM 247 N ALA A 18 22.012 3.338 11.761 1.00 11.52 N ATOM 248 CA ALA A 18 20.760 2.764 12.236 1.00 11.99 C ATOM 249 C ALA A 18 19.581 3.232 11.381 1.00 11.45 C ATOM 250 O ALA A 18 18.724 2.444 11.015 1.00 11.42 O ATOM 251 CB ALA A 18 20.534 3.127 13.696 1.00 13.14 C ATOM 0 H ALA A 18 22.443 3.987 12.419 1.00 11.52 H new ATOM 0 HA ALA A 18 20.829 1.680 12.150 1.00 11.99 H new ATOM 0 HB1 ALA A 18 19.595 2.692 14.038 1.00 13.14 H new ATOM 0 HB2 ALA A 18 21.355 2.739 14.299 1.00 13.14 H new ATOM 0 HB3 ALA A 18 20.490 4.211 13.799 1.00 13.14 H new ATOM 257 N MET A 19 19.555 4.519 11.059 1.00 11.20 N ATOM 258 CA MET A 19 18.488 5.066 10.218 1.00 10.90 C ATOM 259 C MET A 19 18.919 5.070 8.756 1.00 9.99 C ATOM 260 O MET A 19 18.087 5.113 7.847 1.00 9.63 O ATOM 261 CB MET A 19 18.101 6.500 10.650 1.00 11.94 C ATOM 262 CG MET A 19 19.226 7.534 10.551 1.00 12.49 C ATOM 263 SD MET A 19 18.708 9.211 11.024 1.00 13.40 S ATOM 264 CE MET A 19 18.200 8.965 12.724 1.00 14.08 C ATOM 0 H MET A 19 20.251 5.201 11.362 1.00 11.20 H new ATOM 0 HA MET A 19 17.613 4.427 10.339 1.00 10.90 H new ATOM 0 HB2 MET A 19 17.266 6.835 10.035 1.00 11.94 H new ATOM 0 HB3 MET A 19 17.746 6.469 11.680 1.00 11.94 H new ATOM 0 HG2 MET A 19 20.053 7.223 11.190 1.00 12.49 H new ATOM 0 HG3 MET A 19 19.603 7.553 9.529 1.00 12.49 H new ATOM 0 HE1 MET A 19 18.130 9.930 13.226 1.00 14.08 H new ATOM 0 HE2 MET A 19 17.227 8.474 12.746 1.00 14.08 H new ATOM 0 HE3 MET A 19 18.933 8.341 13.236 1.00 14.08 H new ATOM 274 N ALA A 20 20.222 4.989 8.545 1.00 9.77 N ATOM 275 CA ALA A 20 20.798 5.031 7.213 1.00 9.13 C ATOM 276 C ALA A 20 20.460 3.780 6.433 1.00 8.17 C ATOM 277 O ALA A 20 20.248 3.840 5.234 1.00 7.84 O ATOM 278 CB ALA A 20 22.302 5.238 7.283 1.00 9.45 C ATOM 0 H ALA A 20 20.909 4.892 9.292 1.00 9.77 H new ATOM 0 HA ALA A 20 20.363 5.879 6.685 1.00 9.13 H new ATOM 0 HB1 ALA A 20 22.713 5.266 6.274 1.00 9.45 H new ATOM 0 HB2 ALA A 20 22.517 6.179 7.789 1.00 9.45 H new ATOM 0 HB3 ALA A 20 22.757 4.417 7.837 1.00 9.45 H new ATOM 284 N ARG A 21 20.369 2.647 7.130 1.00 7.98 N ATOM 285 CA ARG A 21 20.033 1.365 6.489 1.00 7.29 C ATOM 286 C ARG A 21 18.675 1.418 5.799 1.00 7.26 C ATOM 287 O ARG A 21 18.465 0.759 4.784 1.00 7.10 O ATOM 288 CB ARG A 21 20.060 0.206 7.500 1.00 7.43 C ATOM 289 CG ARG A 21 19.085 0.362 8.650 1.00 8.11 C ATOM 290 CD ARG A 21 19.095 -0.864 9.563 1.00 8.51 C ATOM 291 NE ARG A 21 20.431 -1.138 10.124 1.00 8.99 N ATOM 292 CZ ARG A 21 20.666 -1.888 11.212 1.00 9.65 C ATOM 293 NH1 ARG A 21 19.657 -2.393 11.920 1.00 9.90 N ATOM 294 NH2 ARG A 21 21.912 -2.117 11.595 1.00 10.29 N ATOM 0 H ARG A 21 20.522 2.586 8.137 1.00 7.98 H new ATOM 0 HA ARG A 21 20.796 1.185 5.732 1.00 7.29 H new ATOM 0 HB2 ARG A 21 19.840 -0.724 6.976 1.00 7.43 H new ATOM 0 HB3 ARG A 21 21.068 0.114 7.903 1.00 7.43 H new ATOM 0 HG2 ARG A 21 19.342 1.250 9.228 1.00 8.11 H new ATOM 0 HG3 ARG A 21 18.080 0.517 8.258 1.00 8.11 H new ATOM 0 HD2 ARG A 21 18.386 -0.713 10.377 1.00 8.51 H new ATOM 0 HD3 ARG A 21 18.754 -1.734 9.002 1.00 8.51 H new ATOM 0 HE ARG A 21 21.236 -0.727 9.650 1.00 8.99 H new ATOM 0 HH11 ARG A 21 18.694 -2.211 11.637 1.00 9.90 H new ATOM 0 HH12 ARG A 21 19.847 -2.962 12.745 1.00 9.90 H new ATOM 0 HH21 ARG A 21 22.689 -1.724 11.064 1.00 10.29 H new ATOM 0 HH22 ARG A 21 22.095 -2.686 12.421 1.00 10.29 H new ATOM 308 N ALA A 22 17.772 2.260 6.323 1.00 7.72 N ATOM 309 CA ALA A 22 16.416 2.402 5.788 1.00 8.05 C ATOM 310 C ALA A 22 16.411 3.274 4.527 1.00 7.56 C ATOM 311 O ALA A 22 15.359 3.645 4.010 1.00 7.73 O ATOM 312 CB ALA A 22 15.487 2.975 6.849 1.00 9.15 C ATOM 0 H ALA A 22 17.963 2.858 7.127 1.00 7.72 H new ATOM 0 HA ALA A 22 16.052 1.413 5.508 1.00 8.05 H new ATOM 0 HB1 ALA A 22 14.483 3.075 6.438 1.00 9.15 H new ATOM 0 HB2 ALA A 22 15.462 2.307 7.710 1.00 9.15 H new ATOM 0 HB3 ALA A 22 15.851 3.954 7.161 1.00 9.15 H new ATOM 318 N LYS A 23 17.595 3.623 4.070 1.00 7.27 N ATOM 319 CA LYS A 23 17.783 4.371 2.847 1.00 7.12 C ATOM 320 C LYS A 23 18.833 3.678 2.015 1.00 6.46 C ATOM 321 O LYS A 23 19.178 4.132 0.930 1.00 6.78 O ATOM 322 CB LYS A 23 18.294 5.767 3.152 1.00 8.04 C ATOM 323 CG LYS A 23 17.392 6.603 4.076 1.00 8.77 C ATOM 324 CD LYS A 23 16.025 6.875 3.434 1.00 9.62 C ATOM 325 CE LYS A 23 15.103 7.638 4.375 1.00 10.49 C ATOM 326 NZ LYS A 23 14.792 6.865 5.596 1.00 11.12 N ATOM 0 H LYS A 23 18.467 3.391 4.546 1.00 7.27 H new ATOM 0 HA LYS A 23 16.829 4.431 2.324 1.00 7.12 H new ATOM 0 HB2 LYS A 23 19.280 5.685 3.609 1.00 8.04 H new ATOM 0 HB3 LYS A 23 18.422 6.304 2.212 1.00 8.04 H new ATOM 0 HG2 LYS A 23 17.253 6.079 5.022 1.00 8.77 H new ATOM 0 HG3 LYS A 23 17.882 7.549 4.305 1.00 8.77 H new ATOM 0 HD2 LYS A 23 16.161 7.446 2.516 1.00 9.62 H new ATOM 0 HD3 LYS A 23 15.559 5.930 3.155 1.00 9.62 H new ATOM 0 HE2 LYS A 23 15.571 8.582 4.654 1.00 10.49 H new ATOM 0 HE3 LYS A 23 14.177 7.882 3.855 1.00 10.49 H new ATOM 0 HZ1 LYS A 23 13.990 7.305 6.090 1.00 11.12 H new ATOM 0 HZ2 LYS A 23 14.545 5.889 5.335 1.00 11.12 H new ATOM 0 HZ3 LYS A 23 15.622 6.857 6.222 1.00 11.12 H new ATOM 340 N ASN A 24 19.362 2.591 2.526 1.00 5.86 N ATOM 341 CA ASN A 24 20.420 1.920 1.826 1.00 5.58 C ATOM 342 C ASN A 24 19.956 0.596 1.251 1.00 5.25 C ATOM 343 O ASN A 24 19.749 0.469 0.042 1.00 5.71 O ATOM 344 CB ASN A 24 21.724 1.734 2.684 1.00 5.59 C ATOM 345 CG ASN A 24 22.407 3.036 3.080 1.00 6.03 C ATOM 346 OD1 ASN A 24 23.097 3.107 4.119 1.00 6.46 O ATOM 347 ND2 ASN A 24 22.228 4.076 2.295 1.00 6.29 N ATOM 0 H ASN A 24 19.081 2.162 3.408 1.00 5.86 H new ATOM 0 HA ASN A 24 20.689 2.580 1.002 1.00 5.58 H new ATOM 0 HB2 ASN A 24 21.473 1.180 3.588 1.00 5.59 H new ATOM 0 HB3 ASN A 24 22.431 1.124 2.122 1.00 5.59 H new ATOM 0 HD21 ASN A 24 22.658 4.971 2.528 1.00 6.29 H new ATOM 0 HD22 ASN A 24 21.659 3.988 1.453 1.00 6.29 H new ATOM 354 N LEU A 25 19.755 -0.389 2.128 1.00 4.87 N ATOM 355 CA LEU A 25 19.372 -1.734 1.714 1.00 4.97 C ATOM 356 C LEU A 25 18.380 -2.327 2.698 1.00 4.70 C ATOM 357 O LEU A 25 18.627 -2.351 3.907 1.00 4.86 O ATOM 358 CB LEU A 25 20.619 -2.646 1.611 1.00 5.36 C ATOM 359 CG LEU A 25 21.700 -2.261 0.570 1.00 6.04 C ATOM 360 CD1 LEU A 25 22.916 -3.172 0.694 1.00 6.81 C ATOM 361 CD2 LEU A 25 21.134 -2.343 -0.840 1.00 6.58 C ATOM 0 H LEU A 25 19.853 -0.276 3.137 1.00 4.87 H new ATOM 0 HA LEU A 25 18.902 -1.669 0.733 1.00 4.97 H new ATOM 0 HB2 LEU A 25 21.093 -2.680 2.592 1.00 5.36 H new ATOM 0 HB3 LEU A 25 20.279 -3.657 1.386 1.00 5.36 H new ATOM 0 HG LEU A 25 22.010 -1.235 0.768 1.00 6.04 H new ATOM 0 HD11 LEU A 25 23.663 -2.885 -0.046 1.00 6.81 H new ATOM 0 HD12 LEU A 25 23.341 -3.078 1.694 1.00 6.81 H new ATOM 0 HD13 LEU A 25 22.615 -4.206 0.523 1.00 6.81 H new ATOM 0 HD21 LEU A 25 21.907 -2.069 -1.559 1.00 6.58 H new ATOM 0 HD22 LEU A 25 20.798 -3.361 -1.038 1.00 6.58 H new ATOM 0 HD23 LEU A 25 20.292 -1.658 -0.934 1.00 6.58 H new ATOM 373 N GLU A 26 17.267 -2.798 2.183 1.00 4.76 N ATOM 374 CA GLU A 26 16.226 -3.400 2.983 1.00 4.96 C ATOM 375 C GLU A 26 15.693 -4.632 2.276 1.00 4.83 C ATOM 376 O GLU A 26 15.492 -4.615 1.065 1.00 4.95 O ATOM 377 CB GLU A 26 15.090 -2.389 3.278 1.00 5.70 C ATOM 378 CG GLU A 26 14.554 -1.678 2.045 1.00 6.48 C ATOM 379 CD GLU A 26 13.357 -0.812 2.340 1.00 7.27 C ATOM 380 OE1 GLU A 26 13.462 0.078 3.228 1.00 7.68 O ATOM 381 OE2 GLU A 26 12.299 -1.009 1.720 1.00 7.70 O ATOM 0 H GLU A 26 17.057 -2.773 1.185 1.00 4.76 H new ATOM 0 HA GLU A 26 16.647 -3.698 3.943 1.00 4.96 H new ATOM 0 HB2 GLU A 26 14.269 -2.914 3.767 1.00 5.70 H new ATOM 0 HB3 GLU A 26 15.456 -1.643 3.983 1.00 5.70 H new ATOM 0 HG2 GLU A 26 15.344 -1.062 1.615 1.00 6.48 H new ATOM 0 HG3 GLU A 26 14.283 -2.420 1.294 1.00 6.48 H new ATOM 388 N LYS A 27 15.504 -5.706 3.016 1.00 5.08 N ATOM 389 CA LYS A 27 14.974 -6.913 2.454 1.00 5.48 C ATOM 390 C LYS A 27 13.783 -7.358 3.287 1.00 5.57 C ATOM 391 O LYS A 27 13.951 -7.831 4.413 1.00 6.04 O ATOM 392 CB LYS A 27 16.024 -8.035 2.430 1.00 6.20 C ATOM 393 CG LYS A 27 15.505 -9.305 1.777 1.00 6.72 C ATOM 394 CD LYS A 27 16.487 -10.480 1.865 1.00 7.40 C ATOM 395 CE LYS A 27 16.662 -10.974 3.298 1.00 8.14 C ATOM 396 NZ LYS A 27 17.525 -12.174 3.376 1.00 8.86 N ATOM 0 H LYS A 27 15.714 -5.758 4.013 1.00 5.08 H new ATOM 0 HA LYS A 27 14.674 -6.712 1.425 1.00 5.48 H new ATOM 0 HB2 LYS A 27 16.908 -7.690 1.893 1.00 6.20 H new ATOM 0 HB3 LYS A 27 16.337 -8.257 3.450 1.00 6.20 H new ATOM 0 HG2 LYS A 27 14.565 -9.590 2.250 1.00 6.72 H new ATOM 0 HG3 LYS A 27 15.285 -9.102 0.729 1.00 6.72 H new ATOM 0 HD2 LYS A 27 16.129 -11.299 1.241 1.00 7.40 H new ATOM 0 HD3 LYS A 27 17.454 -10.174 1.466 1.00 7.40 H new ATOM 0 HE2 LYS A 27 17.094 -10.178 3.904 1.00 8.14 H new ATOM 0 HE3 LYS A 27 15.685 -11.203 3.723 1.00 8.14 H new ATOM 0 HZ1 LYS A 27 17.615 -12.473 4.368 1.00 8.86 H new ATOM 0 HZ2 LYS A 27 17.101 -12.943 2.820 1.00 8.86 H new ATOM 0 HZ3 LYS A 27 18.467 -11.950 2.995 1.00 8.86 H new ATOM 410 N ALA A 28 12.609 -7.165 2.767 1.00 5.50 N ATOM 411 CA ALA A 28 11.411 -7.612 3.432 1.00 5.97 C ATOM 412 C ALA A 28 10.589 -8.444 2.462 1.00 6.23 C ATOM 413 O ALA A 28 10.217 -9.577 2.758 1.00 6.48 O ATOM 414 CB ALA A 28 10.609 -6.435 3.972 1.00 6.27 C ATOM 0 H ALA A 28 12.449 -6.697 1.875 1.00 5.50 H new ATOM 0 HA ALA A 28 11.683 -8.228 4.289 1.00 5.97 H new ATOM 0 HB1 ALA A 28 9.711 -6.804 4.468 1.00 6.27 H new ATOM 0 HB2 ALA A 28 11.216 -5.878 4.686 1.00 6.27 H new ATOM 0 HB3 ALA A 28 10.325 -5.780 3.149 1.00 6.27 H new ATOM 420 N LYS A 29 10.290 -7.865 1.318 1.00 6.51 N ATOM 421 CA LYS A 29 9.630 -8.569 0.236 1.00 7.02 C ATOM 422 C LYS A 29 10.406 -8.362 -1.063 1.00 6.93 C ATOM 423 O LYS A 29 11.287 -7.521 -1.125 1.00 7.10 O ATOM 424 CB LYS A 29 8.143 -8.151 0.042 1.00 7.79 C ATOM 425 CG LYS A 29 7.124 -8.689 1.079 1.00 8.36 C ATOM 426 CD LYS A 29 7.282 -8.124 2.481 1.00 9.07 C ATOM 427 CE LYS A 29 6.284 -8.801 3.414 1.00 9.70 C ATOM 428 NZ LYS A 29 6.368 -8.322 4.807 1.00 10.01 N ATOM 0 H LYS A 29 10.498 -6.888 1.111 1.00 6.51 H new ATOM 0 HA LYS A 29 9.620 -9.625 0.508 1.00 7.02 H new ATOM 0 HB2 LYS A 29 8.093 -7.062 0.050 1.00 7.79 H new ATOM 0 HB3 LYS A 29 7.825 -8.478 -0.948 1.00 7.79 H new ATOM 0 HG2 LYS A 29 6.117 -8.469 0.725 1.00 8.36 H new ATOM 0 HG3 LYS A 29 7.215 -9.774 1.127 1.00 8.36 H new ATOM 0 HD2 LYS A 29 8.299 -8.287 2.838 1.00 9.07 H new ATOM 0 HD3 LYS A 29 7.116 -7.047 2.472 1.00 9.07 H new ATOM 0 HE2 LYS A 29 5.275 -8.631 3.039 1.00 9.70 H new ATOM 0 HE3 LYS A 29 6.454 -9.878 3.397 1.00 9.70 H new ATOM 0 HZ1 LYS A 29 5.665 -8.821 5.389 1.00 10.01 H new ATOM 0 HZ2 LYS A 29 7.321 -8.507 5.181 1.00 10.01 H new ATOM 0 HZ3 LYS A 29 6.178 -7.300 4.835 1.00 10.01 H new ATOM 442 N ALA A 30 10.069 -9.138 -2.086 1.00 7.00 N ATOM 443 CA ALA A 30 10.747 -9.072 -3.388 1.00 7.22 C ATOM 444 C ALA A 30 10.367 -7.801 -4.165 1.00 7.17 C ATOM 445 O ALA A 30 11.155 -7.284 -4.965 1.00 7.27 O ATOM 446 CB ALA A 30 10.421 -10.311 -4.202 1.00 7.43 C ATOM 0 H ALA A 30 9.321 -9.831 -2.043 1.00 7.00 H new ATOM 0 HA ALA A 30 11.821 -9.032 -3.207 1.00 7.22 H new ATOM 0 HB1 ALA A 30 10.926 -10.256 -5.166 1.00 7.43 H new ATOM 0 HB2 ALA A 30 10.758 -11.198 -3.665 1.00 7.43 H new ATOM 0 HB3 ALA A 30 9.344 -10.370 -4.360 1.00 7.43 H new ATOM 452 N ALA A 31 9.172 -7.294 -3.907 1.00 7.30 N ATOM 453 CA ALA A 31 8.695 -6.091 -4.571 1.00 7.49 C ATOM 454 C ALA A 31 7.638 -5.404 -3.729 1.00 7.26 C ATOM 455 O ALA A 31 7.871 -4.326 -3.179 1.00 7.29 O ATOM 456 CB ALA A 31 8.148 -6.421 -5.968 1.00 8.16 C ATOM 0 H ALA A 31 8.513 -7.698 -3.241 1.00 7.30 H new ATOM 0 HA ALA A 31 9.536 -5.408 -4.690 1.00 7.49 H new ATOM 0 HB1 ALA A 31 7.797 -5.507 -6.446 1.00 8.16 H new ATOM 0 HB2 ALA A 31 8.938 -6.866 -6.572 1.00 8.16 H new ATOM 0 HB3 ALA A 31 7.320 -7.124 -5.878 1.00 8.16 H new ATOM 462 N GLY A 32 6.480 -6.034 -3.625 1.00 7.31 N ATOM 463 CA GLY A 32 5.400 -5.481 -2.835 1.00 7.37 C ATOM 464 C GLY A 32 4.589 -4.476 -3.629 1.00 7.39 C ATOM 465 O GLY A 32 3.424 -4.708 -3.937 1.00 7.69 O ATOM 0 H GLY A 32 6.267 -6.924 -4.076 1.00 7.31 H new ATOM 0 HA2 GLY A 32 4.749 -6.286 -2.492 1.00 7.37 H new ATOM 0 HA3 GLY A 32 5.808 -5.000 -1.946 1.00 7.37 H new ATOM 469 N LYS A 33 5.212 -3.372 -3.975 1.00 7.33 N ATOM 470 CA LYS A 33 4.585 -2.324 -4.748 1.00 7.58 C ATOM 471 C LYS A 33 5.673 -1.443 -5.321 1.00 7.81 C ATOM 472 O LYS A 33 6.833 -1.559 -4.919 1.00 8.09 O ATOM 473 CB LYS A 33 3.601 -1.456 -3.894 1.00 7.70 C ATOM 474 CG LYS A 33 4.242 -0.562 -2.810 1.00 7.71 C ATOM 475 CD LYS A 33 4.849 -1.347 -1.649 1.00 8.10 C ATOM 476 CE LYS A 33 5.548 -0.414 -0.663 1.00 8.68 C ATOM 477 NZ LYS A 33 4.633 0.619 -0.114 1.00 8.86 N ATOM 0 H LYS A 33 6.181 -3.174 -3.724 1.00 7.33 H new ATOM 0 HA LYS A 33 3.994 -2.788 -5.538 1.00 7.58 H new ATOM 0 HB2 LYS A 33 3.032 -0.819 -4.571 1.00 7.70 H new ATOM 0 HB3 LYS A 33 2.888 -2.123 -3.410 1.00 7.70 H new ATOM 0 HG2 LYS A 33 5.018 0.050 -3.269 1.00 7.71 H new ATOM 0 HG3 LYS A 33 3.486 0.120 -2.420 1.00 7.71 H new ATOM 0 HD2 LYS A 33 4.067 -1.905 -1.135 1.00 8.10 H new ATOM 0 HD3 LYS A 33 5.562 -2.077 -2.032 1.00 8.10 H new ATOM 0 HE2 LYS A 33 5.962 -1.001 0.157 1.00 8.68 H new ATOM 0 HE3 LYS A 33 6.386 0.074 -1.161 1.00 8.68 H new ATOM 0 HZ1 LYS A 33 5.089 1.094 0.691 1.00 8.86 H new ATOM 0 HZ2 LYS A 33 4.417 1.319 -0.852 1.00 8.86 H new ATOM 0 HZ3 LYS A 33 3.751 0.168 0.204 1.00 8.86 H new ATOM 491 N GLY A 34 5.314 -0.577 -6.230 1.00 7.92 N ATOM 492 CA GLY A 34 6.266 0.327 -6.800 1.00 8.28 C ATOM 493 C GLY A 34 5.726 1.728 -6.825 1.00 8.23 C ATOM 494 O GLY A 34 5.419 2.304 -5.775 1.00 8.16 O ATOM 0 H GLY A 34 4.365 -0.481 -6.590 1.00 7.92 H new ATOM 0 HA2 GLY A 34 7.190 0.299 -6.223 1.00 8.28 H new ATOM 0 HA3 GLY A 34 6.513 0.010 -7.813 1.00 8.28 H new ATOM 498 N SER A 35 5.580 2.262 -8.036 1.00 8.52 N ATOM 499 CA SER A 35 5.064 3.609 -8.309 1.00 8.67 C ATOM 500 C SER A 35 5.916 4.725 -7.637 1.00 8.96 C ATOM 501 O SER A 35 7.044 4.474 -7.211 1.00 9.53 O ATOM 502 CB SER A 35 3.534 3.724 -8.001 1.00 8.87 C ATOM 503 OG SER A 35 3.205 3.461 -6.644 1.00 8.86 O ATOM 0 H SER A 35 5.825 1.754 -8.886 1.00 8.52 H new ATOM 0 HA SER A 35 5.168 3.776 -9.381 1.00 8.67 H new ATOM 0 HB2 SER A 35 3.194 4.727 -8.261 1.00 8.87 H new ATOM 0 HB3 SER A 35 2.990 3.028 -8.639 1.00 8.87 H new ATOM 0 HG SER A 35 4.027 3.390 -6.116 1.00 8.86 H new ATOM 509 N GLN A 36 5.380 5.953 -7.592 1.00 8.75 N ATOM 510 CA GLN A 36 6.101 7.126 -7.035 1.00 9.17 C ATOM 511 C GLN A 36 5.196 8.343 -7.074 1.00 8.70 C ATOM 512 O GLN A 36 5.231 9.190 -6.202 1.00 8.58 O ATOM 513 CB GLN A 36 7.429 7.419 -7.811 1.00 10.09 C ATOM 514 CG GLN A 36 7.251 7.749 -9.299 1.00 10.66 C ATOM 515 CD GLN A 36 8.575 7.908 -10.063 1.00 11.45 C ATOM 516 OE1 GLN A 36 8.643 7.642 -11.254 1.00 11.91 O ATOM 517 NE2 GLN A 36 9.614 8.330 -9.391 1.00 11.81 N ATOM 0 H GLN A 36 4.444 6.169 -7.935 1.00 8.75 H new ATOM 0 HA GLN A 36 6.370 6.896 -6.004 1.00 9.17 H new ATOM 0 HB2 GLN A 36 7.938 8.253 -7.328 1.00 10.09 H new ATOM 0 HB3 GLN A 36 8.083 6.552 -7.722 1.00 10.09 H new ATOM 0 HG2 GLN A 36 6.664 6.960 -9.769 1.00 10.66 H new ATOM 0 HG3 GLN A 36 6.677 8.671 -9.391 1.00 10.66 H new ATOM 0 HE21 GLN A 36 9.526 8.544 -8.398 1.00 11.81 H new ATOM 0 HE22 GLN A 36 10.512 8.445 -9.860 1.00 11.81 H new ATOM 526 N LEU A 37 4.363 8.388 -8.095 1.00 8.63 N ATOM 527 CA LEU A 37 3.429 9.479 -8.316 1.00 8.33 C ATOM 528 C LEU A 37 2.166 9.404 -7.449 1.00 7.59 C ATOM 529 O LEU A 37 1.225 10.160 -7.654 1.00 7.53 O ATOM 530 CB LEU A 37 3.078 9.592 -9.820 1.00 8.94 C ATOM 531 CG LEU A 37 2.664 8.290 -10.588 1.00 9.62 C ATOM 532 CD1 LEU A 37 1.387 7.667 -10.059 1.00 10.08 C ATOM 533 CD2 LEU A 37 2.539 8.568 -12.079 1.00 9.94 C ATOM 0 H LEU A 37 4.314 7.658 -8.806 1.00 8.63 H new ATOM 0 HA LEU A 37 3.939 10.389 -7.998 1.00 8.33 H new ATOM 0 HB2 LEU A 37 2.263 10.309 -9.918 1.00 8.94 H new ATOM 0 HB3 LEU A 37 3.941 10.019 -10.331 1.00 8.94 H new ATOM 0 HG LEU A 37 3.459 7.564 -10.418 1.00 9.62 H new ATOM 0 HD11 LEU A 37 1.155 6.770 -10.633 1.00 10.08 H new ATOM 0 HD12 LEU A 37 1.519 7.403 -9.010 1.00 10.08 H new ATOM 0 HD13 LEU A 37 0.568 8.380 -10.154 1.00 10.08 H new ATOM 0 HD21 LEU A 37 2.251 7.653 -12.597 1.00 9.94 H new ATOM 0 HD22 LEU A 37 1.780 9.333 -12.244 1.00 9.94 H new ATOM 0 HD23 LEU A 37 3.496 8.918 -12.465 1.00 9.94 H new ATOM 545 N GLU A 38 2.154 8.518 -6.484 1.00 7.28 N ATOM 546 CA GLU A 38 0.962 8.344 -5.638 1.00 6.85 C ATOM 547 C GLU A 38 0.841 9.454 -4.592 1.00 6.29 C ATOM 548 O GLU A 38 -0.243 9.682 -4.035 1.00 6.53 O ATOM 549 CB GLU A 38 0.945 6.988 -4.928 1.00 7.02 C ATOM 550 CG GLU A 38 2.020 6.782 -3.867 1.00 7.23 C ATOM 551 CD GLU A 38 1.714 5.573 -3.027 1.00 7.58 C ATOM 552 OE1 GLU A 38 0.971 5.691 -2.056 1.00 7.82 O ATOM 553 OE2 GLU A 38 2.285 4.488 -3.318 1.00 7.86 O ATOM 0 H GLU A 38 2.937 7.906 -6.253 1.00 7.28 H new ATOM 0 HA GLU A 38 0.110 8.394 -6.316 1.00 6.85 H new ATOM 0 HB2 GLU A 38 -0.031 6.856 -4.460 1.00 7.02 H new ATOM 0 HB3 GLU A 38 1.047 6.204 -5.679 1.00 7.02 H new ATOM 0 HG2 GLU A 38 2.992 6.662 -4.346 1.00 7.23 H new ATOM 0 HG3 GLU A 38 2.085 7.665 -3.232 1.00 7.23 H new ATOM 560 N ALA A 39 1.967 10.110 -4.331 1.00 5.86 N ATOM 561 CA ALA A 39 2.096 11.178 -3.345 1.00 5.57 C ATOM 562 C ALA A 39 1.994 10.661 -1.904 1.00 5.31 C ATOM 563 O ALA A 39 3.019 10.413 -1.267 1.00 5.56 O ATOM 564 CB ALA A 39 1.142 12.356 -3.615 1.00 5.92 C ATOM 0 H ALA A 39 2.842 9.907 -4.814 1.00 5.86 H new ATOM 0 HA ALA A 39 3.105 11.574 -3.460 1.00 5.57 H new ATOM 0 HB1 ALA A 39 1.282 13.120 -2.850 1.00 5.92 H new ATOM 0 HB2 ALA A 39 1.356 12.780 -4.596 1.00 5.92 H new ATOM 0 HB3 ALA A 39 0.111 12.002 -3.590 1.00 5.92 H new ATOM 570 N ASN A 40 0.781 10.466 -1.407 1.00 5.21 N ATOM 571 CA ASN A 40 0.560 10.006 -0.030 1.00 5.30 C ATOM 572 C ASN A 40 -0.891 9.599 0.160 1.00 4.90 C ATOM 573 O ASN A 40 -1.804 10.305 -0.267 1.00 4.87 O ATOM 574 CB ASN A 40 0.970 11.104 0.992 1.00 5.95 C ATOM 575 CG ASN A 40 0.740 10.723 2.465 1.00 6.36 C ATOM 576 OD1 ASN A 40 0.735 9.534 2.847 1.00 6.54 O ATOM 577 ND2 ASN A 40 0.594 11.736 3.302 1.00 6.88 N ATOM 0 H ASN A 40 -0.077 10.619 -1.937 1.00 5.21 H new ATOM 0 HA ASN A 40 1.188 9.134 0.150 1.00 5.30 H new ATOM 0 HB2 ASN A 40 2.025 11.338 0.851 1.00 5.95 H new ATOM 0 HB3 ASN A 40 0.410 12.013 0.773 1.00 5.95 H new ATOM 0 HD21 ASN A 40 0.472 11.560 4.299 1.00 6.88 H new ATOM 0 HD22 ASN A 40 0.604 12.693 2.950 1.00 6.88 H new ATOM 584 N LYS A 41 -1.097 8.460 0.786 1.00 4.91 N ATOM 585 CA LYS A 41 -2.426 7.922 1.009 1.00 4.79 C ATOM 586 C LYS A 41 -2.971 8.403 2.331 1.00 5.11 C ATOM 587 O LYS A 41 -4.166 8.629 2.453 1.00 5.52 O ATOM 588 CB LYS A 41 -2.400 6.382 1.043 1.00 5.30 C ATOM 589 CG LYS A 41 -1.998 5.677 -0.250 1.00 6.03 C ATOM 590 CD LYS A 41 -3.020 5.882 -1.363 1.00 6.55 C ATOM 591 CE LYS A 41 -2.740 4.968 -2.560 1.00 7.33 C ATOM 592 NZ LYS A 41 -1.430 5.234 -3.200 1.00 7.95 N ATOM 0 H LYS A 41 -0.346 7.878 1.157 1.00 4.91 H new ATOM 0 HA LYS A 41 -3.056 8.264 0.188 1.00 4.79 H new ATOM 0 HB2 LYS A 41 -1.712 6.070 1.829 1.00 5.30 H new ATOM 0 HB3 LYS A 41 -3.391 6.031 1.329 1.00 5.30 H new ATOM 0 HG2 LYS A 41 -1.028 6.050 -0.578 1.00 6.03 H new ATOM 0 HG3 LYS A 41 -1.882 4.610 -0.059 1.00 6.03 H new ATOM 0 HD2 LYS A 41 -4.021 5.684 -0.980 1.00 6.55 H new ATOM 0 HD3 LYS A 41 -3.002 6.923 -1.687 1.00 6.55 H new ATOM 0 HE2 LYS A 41 -2.773 3.929 -2.232 1.00 7.33 H new ATOM 0 HE3 LYS A 41 -3.531 5.094 -3.299 1.00 7.33 H new ATOM 0 HZ1 LYS A 41 -1.174 4.433 -3.812 1.00 7.95 H new ATOM 0 HZ2 LYS A 41 -1.492 6.101 -3.771 1.00 7.95 H new ATOM 0 HZ3 LYS A 41 -0.703 5.355 -2.466 1.00 7.95 H new ATOM 606 N LYS A 42 -2.045 8.595 3.319 1.00 5.29 N ATOM 607 CA LYS A 42 -2.393 8.916 4.712 1.00 6.01 C ATOM 608 C LYS A 42 -3.083 7.734 5.377 1.00 6.11 C ATOM 609 O LYS A 42 -4.250 7.454 5.115 1.00 6.74 O ATOM 610 CB LYS A 42 -3.241 10.169 4.840 1.00 6.24 C ATOM 611 CG LYS A 42 -2.548 11.481 4.482 1.00 6.53 C ATOM 612 CD LYS A 42 -3.495 12.681 4.656 1.00 7.13 C ATOM 613 CE LYS A 42 -3.946 12.881 6.112 1.00 7.68 C ATOM 614 NZ LYS A 42 -2.819 13.234 7.016 1.00 8.17 N ATOM 0 H LYS A 42 -1.040 8.528 3.157 1.00 5.29 H new ATOM 0 HA LYS A 42 -1.455 9.121 5.227 1.00 6.01 H new ATOM 0 HB2 LYS A 42 -4.118 10.058 4.202 1.00 6.24 H new ATOM 0 HB3 LYS A 42 -3.600 10.238 5.867 1.00 6.24 H new ATOM 0 HG2 LYS A 42 -1.669 11.614 5.113 1.00 6.53 H new ATOM 0 HG3 LYS A 42 -2.197 11.439 3.451 1.00 6.53 H new ATOM 0 HD2 LYS A 42 -2.995 13.585 4.308 1.00 7.13 H new ATOM 0 HD3 LYS A 42 -4.373 12.539 4.025 1.00 7.13 H new ATOM 0 HE2 LYS A 42 -4.698 13.669 6.151 1.00 7.68 H new ATOM 0 HE3 LYS A 42 -4.422 11.968 6.470 1.00 7.68 H new ATOM 0 HZ1 LYS A 42 -3.188 13.440 7.966 1.00 8.17 H new ATOM 0 HZ2 LYS A 42 -2.153 12.437 7.069 1.00 8.17 H new ATOM 0 HZ3 LYS A 42 -2.327 14.072 6.646 1.00 8.17 H new ATOM 628 N ALA A 43 -2.331 7.012 6.195 1.00 5.71 N ATOM 629 CA ALA A 43 -2.824 5.836 6.939 1.00 5.93 C ATOM 630 C ALA A 43 -3.131 4.657 6.010 1.00 5.58 C ATOM 631 O ALA A 43 -3.702 3.665 6.431 1.00 5.78 O ATOM 632 CB ALA A 43 -4.036 6.188 7.826 1.00 5.86 C ATOM 0 H ALA A 43 -1.348 7.219 6.371 1.00 5.71 H new ATOM 0 HA ALA A 43 -2.018 5.520 7.601 1.00 5.93 H new ATOM 0 HB1 ALA A 43 -4.369 5.296 8.357 1.00 5.86 H new ATOM 0 HB2 ALA A 43 -3.749 6.954 8.547 1.00 5.86 H new ATOM 0 HB3 ALA A 43 -4.847 6.563 7.202 1.00 5.86 H new ATOM 638 N MET A 44 -2.736 4.795 4.730 1.00 5.27 N ATOM 639 CA MET A 44 -2.896 3.748 3.696 1.00 5.14 C ATOM 640 C MET A 44 -4.386 3.529 3.310 1.00 4.41 C ATOM 641 O MET A 44 -4.700 2.652 2.538 1.00 4.57 O ATOM 642 CB MET A 44 -2.191 2.422 4.142 1.00 5.83 C ATOM 643 CG MET A 44 -2.197 1.286 3.107 1.00 6.40 C ATOM 644 SD MET A 44 -1.315 -0.186 3.675 1.00 6.97 S ATOM 645 CE MET A 44 -1.528 -1.273 2.271 1.00 7.62 C ATOM 0 H MET A 44 -2.292 5.644 4.379 1.00 5.27 H new ATOM 0 HA MET A 44 -2.402 4.094 2.788 1.00 5.14 H new ATOM 0 HB2 MET A 44 -1.156 2.650 4.398 1.00 5.83 H new ATOM 0 HB3 MET A 44 -2.673 2.063 5.051 1.00 5.83 H new ATOM 0 HG2 MET A 44 -3.228 1.019 2.874 1.00 6.40 H new ATOM 0 HG3 MET A 44 -1.743 1.641 2.182 1.00 6.40 H new ATOM 0 HE1 MET A 44 -0.881 -2.143 2.383 1.00 7.62 H new ATOM 0 HE2 MET A 44 -2.567 -1.598 2.217 1.00 7.62 H new ATOM 0 HE3 MET A 44 -1.266 -0.741 1.356 1.00 7.62 H new ATOM 655 N SER A 45 -5.268 4.381 3.817 1.00 3.91 N ATOM 656 CA SER A 45 -6.703 4.313 3.544 1.00 3.31 C ATOM 657 C SER A 45 -7.346 2.953 3.899 1.00 3.15 C ATOM 658 O SER A 45 -7.699 2.704 5.047 1.00 3.30 O ATOM 659 CB SER A 45 -7.034 4.681 2.091 1.00 3.27 C ATOM 660 OG SER A 45 -8.409 4.550 1.830 1.00 3.82 O ATOM 0 H SER A 45 -5.007 5.148 4.436 1.00 3.91 H new ATOM 0 HA SER A 45 -7.141 5.057 4.209 1.00 3.31 H new ATOM 0 HB2 SER A 45 -6.720 5.706 1.893 1.00 3.27 H new ATOM 0 HB3 SER A 45 -6.471 4.039 1.414 1.00 3.27 H new ATOM 0 HG SER A 45 -8.537 4.105 0.966 1.00 3.82 H new ATOM 666 N ILE A 46 -7.488 2.091 2.892 1.00 3.06 N ATOM 667 CA ILE A 46 -8.142 0.800 3.030 1.00 2.90 C ATOM 668 C ILE A 46 -7.195 -0.323 2.563 1.00 3.39 C ATOM 669 O ILE A 46 -6.248 -0.064 1.839 1.00 3.76 O ATOM 670 CB ILE A 46 -9.434 0.773 2.140 1.00 2.48 C ATOM 671 CG1 ILE A 46 -10.252 2.043 2.368 1.00 2.40 C ATOM 672 CG2 ILE A 46 -10.283 -0.456 2.444 1.00 2.38 C ATOM 673 CD1 ILE A 46 -11.583 2.103 1.639 1.00 2.53 C ATOM 0 H ILE A 46 -7.147 2.276 1.949 1.00 3.06 H new ATOM 0 HA ILE A 46 -8.403 0.646 4.077 1.00 2.90 H new ATOM 0 HB ILE A 46 -9.127 0.725 1.095 1.00 2.48 H new ATOM 0 HG12 ILE A 46 -10.438 2.147 3.437 1.00 2.40 H new ATOM 0 HG13 ILE A 46 -9.652 2.900 2.064 1.00 2.40 H new ATOM 0 HG21 ILE A 46 -11.172 -0.449 1.813 1.00 2.38 H new ATOM 0 HG22 ILE A 46 -9.703 -1.357 2.244 1.00 2.38 H new ATOM 0 HG23 ILE A 46 -10.582 -0.442 3.492 1.00 2.38 H new ATOM 0 HD11 ILE A 46 -12.082 3.044 1.869 1.00 2.53 H new ATOM 0 HD12 ILE A 46 -11.413 2.036 0.564 1.00 2.53 H new ATOM 0 HD13 ILE A 46 -12.211 1.272 1.959 1.00 2.53 H new ATOM 685 N GLN A 47 -7.472 -1.550 2.975 1.00 3.62 N ATOM 686 CA GLN A 47 -6.696 -2.718 2.582 1.00 4.26 C ATOM 687 C GLN A 47 -7.607 -3.713 1.853 1.00 4.05 C ATOM 688 O GLN A 47 -8.706 -4.022 2.311 1.00 3.59 O ATOM 689 CB GLN A 47 -6.042 -3.362 3.821 1.00 4.89 C ATOM 690 CG GLN A 47 -5.285 -4.661 3.551 1.00 5.73 C ATOM 691 CD GLN A 47 -4.665 -5.266 4.811 1.00 6.34 C ATOM 692 OE1 GLN A 47 -4.535 -6.478 4.933 1.00 6.66 O ATOM 693 NE2 GLN A 47 -4.265 -4.436 5.733 1.00 6.79 N ATOM 0 H GLN A 47 -8.250 -1.766 3.598 1.00 3.62 H new ATOM 0 HA GLN A 47 -5.898 -2.418 1.903 1.00 4.26 H new ATOM 0 HB2 GLN A 47 -5.353 -2.643 4.264 1.00 4.89 H new ATOM 0 HB3 GLN A 47 -6.817 -3.558 4.561 1.00 4.89 H new ATOM 0 HG2 GLN A 47 -5.966 -5.385 3.104 1.00 5.73 H new ATOM 0 HG3 GLN A 47 -4.498 -4.471 2.821 1.00 5.73 H new ATOM 0 HE21 GLN A 47 -4.387 -3.432 5.603 1.00 6.79 H new ATOM 0 HE22 GLN A 47 -3.830 -4.791 6.585 1.00 6.79 H new ATOM 702 N CYS A 48 -7.143 -4.170 0.721 1.00 4.51 N ATOM 703 CA CYS A 48 -7.865 -5.078 -0.150 1.00 4.51 C ATOM 704 C CYS A 48 -8.011 -6.471 0.471 1.00 4.78 C ATOM 705 O CYS A 48 -7.034 -7.053 0.957 1.00 5.43 O ATOM 706 CB CYS A 48 -7.128 -5.178 -1.472 1.00 5.18 C ATOM 707 SG CYS A 48 -8.038 -6.004 -2.781 1.00 5.33 S ATOM 0 H CYS A 48 -6.223 -3.916 0.362 1.00 4.51 H new ATOM 0 HA CYS A 48 -8.870 -4.683 -0.302 1.00 4.51 H new ATOM 0 HB2 CYS A 48 -6.871 -4.173 -1.806 1.00 5.18 H new ATOM 0 HB3 CYS A 48 -6.190 -5.709 -1.310 1.00 5.18 H new ATOM 0 HG CYS A 48 -7.247 -6.219 -3.790 1.00 5.33 H new ATOM 713 N LYS A 49 -9.227 -7.003 0.378 1.00 4.37 N ATOM 714 CA LYS A 49 -9.645 -8.306 0.933 1.00 4.60 C ATOM 715 C LYS A 49 -8.846 -9.434 0.269 1.00 5.45 C ATOM 716 O LYS A 49 -8.609 -10.474 0.866 1.00 5.91 O ATOM 717 CB LYS A 49 -11.158 -8.486 0.574 1.00 4.03 C ATOM 718 CG LYS A 49 -11.997 -9.483 1.412 1.00 4.13 C ATOM 719 CD LYS A 49 -11.553 -10.959 1.356 1.00 4.80 C ATOM 720 CE LYS A 49 -11.763 -11.590 -0.018 1.00 5.08 C ATOM 721 NZ LYS A 49 -11.376 -13.026 -0.016 1.00 5.64 N ATOM 0 H LYS A 49 -9.987 -6.524 -0.105 1.00 4.37 H new ATOM 0 HA LYS A 49 -9.477 -8.339 2.009 1.00 4.60 H new ATOM 0 HB2 LYS A 49 -11.635 -7.509 0.644 1.00 4.03 H new ATOM 0 HB3 LYS A 49 -11.218 -8.796 -0.469 1.00 4.03 H new ATOM 0 HG2 LYS A 49 -11.977 -9.158 2.452 1.00 4.13 H new ATOM 0 HG3 LYS A 49 -13.033 -9.424 1.079 1.00 4.13 H new ATOM 0 HD2 LYS A 49 -10.499 -11.027 1.624 1.00 4.80 H new ATOM 0 HD3 LYS A 49 -12.108 -11.529 2.101 1.00 4.80 H new ATOM 0 HE2 LYS A 49 -12.809 -11.493 -0.309 1.00 5.08 H new ATOM 0 HE3 LYS A 49 -11.174 -11.053 -0.761 1.00 5.08 H new ATOM 0 HZ1 LYS A 49 -11.529 -13.428 -0.963 1.00 5.64 H new ATOM 0 HZ2 LYS A 49 -10.372 -13.115 0.239 1.00 5.64 H new ATOM 0 HZ3 LYS A 49 -11.956 -13.541 0.677 1.00 5.64 H new ATOM 735 N VAL A 50 -8.444 -9.212 -0.971 1.00 5.76 N ATOM 736 CA VAL A 50 -7.781 -10.255 -1.761 1.00 6.62 C ATOM 737 C VAL A 50 -6.470 -10.699 -1.138 1.00 7.31 C ATOM 738 O VAL A 50 -6.042 -11.833 -1.347 1.00 7.94 O ATOM 739 CB VAL A 50 -7.557 -9.836 -3.241 1.00 6.99 C ATOM 740 CG1 VAL A 50 -8.853 -9.360 -3.861 1.00 6.73 C ATOM 741 CG2 VAL A 50 -6.442 -8.791 -3.385 1.00 7.56 C ATOM 0 H VAL A 50 -8.561 -8.324 -1.458 1.00 5.76 H new ATOM 0 HA VAL A 50 -8.466 -11.103 -1.757 1.00 6.62 H new ATOM 0 HB VAL A 50 -7.224 -10.719 -3.787 1.00 6.99 H new ATOM 0 HG11 VAL A 50 -8.676 -9.071 -4.897 1.00 6.73 H new ATOM 0 HG12 VAL A 50 -9.588 -10.164 -3.829 1.00 6.73 H new ATOM 0 HG13 VAL A 50 -9.229 -8.502 -3.304 1.00 6.73 H new ATOM 0 HG21 VAL A 50 -6.322 -8.529 -4.436 1.00 7.56 H new ATOM 0 HG22 VAL A 50 -6.704 -7.899 -2.817 1.00 7.56 H new ATOM 0 HG23 VAL A 50 -5.507 -9.202 -3.004 1.00 7.56 H new ATOM 751 N CYS A 51 -5.854 -9.816 -0.356 1.00 7.22 N ATOM 752 CA CYS A 51 -4.613 -10.136 0.297 1.00 7.91 C ATOM 753 C CYS A 51 -4.254 -9.069 1.333 1.00 7.66 C ATOM 754 O CYS A 51 -4.458 -9.269 2.524 1.00 7.62 O ATOM 755 CB CYS A 51 -3.477 -10.315 -0.731 1.00 8.65 C ATOM 756 SG CYS A 51 -1.911 -10.867 -0.030 1.00 9.28 S ATOM 0 H CYS A 51 -6.204 -8.877 -0.167 1.00 7.22 H new ATOM 0 HA CYS A 51 -4.741 -11.084 0.820 1.00 7.91 H new ATOM 0 HB2 CYS A 51 -3.797 -11.035 -1.484 1.00 8.65 H new ATOM 0 HB3 CYS A 51 -3.316 -9.367 -1.244 1.00 8.65 H new ATOM 0 HG CYS A 51 -0.952 -10.098 -0.452 1.00 9.28 H new ATOM 762 N MET A 52 -3.753 -7.927 0.856 1.00 7.53 N ATOM 763 CA MET A 52 -3.288 -6.842 1.724 1.00 7.36 C ATOM 764 C MET A 52 -3.011 -5.569 0.936 1.00 7.19 C ATOM 765 O MET A 52 -2.154 -4.797 1.300 1.00 7.51 O ATOM 766 CB MET A 52 -1.993 -7.270 2.427 1.00 8.14 C ATOM 767 CG MET A 52 -0.902 -7.817 1.513 1.00 8.25 C ATOM 768 SD MET A 52 0.595 -8.313 2.406 1.00 9.18 S ATOM 769 CE MET A 52 1.120 -6.754 3.126 1.00 9.44 C ATOM 0 H MET A 52 -3.658 -7.728 -0.140 1.00 7.53 H new ATOM 0 HA MET A 52 -4.076 -6.638 2.449 1.00 7.36 H new ATOM 0 HB2 MET A 52 -1.593 -6.413 2.969 1.00 8.14 H new ATOM 0 HB3 MET A 52 -2.237 -8.030 3.169 1.00 8.14 H new ATOM 0 HG2 MET A 52 -1.292 -8.675 0.966 1.00 8.25 H new ATOM 0 HG3 MET A 52 -0.642 -7.059 0.774 1.00 8.25 H new ATOM 0 HE1 MET A 52 2.204 -6.664 3.049 1.00 9.44 H new ATOM 0 HE2 MET A 52 0.649 -5.929 2.591 1.00 9.44 H new ATOM 0 HE3 MET A 52 0.827 -6.721 4.175 1.00 9.44 H new ATOM 779 N GLN A 53 -3.754 -5.329 -0.128 1.00 6.77 N ATOM 780 CA GLN A 53 -3.432 -4.185 -1.007 1.00 6.78 C ATOM 781 C GLN A 53 -4.185 -2.979 -0.531 1.00 5.99 C ATOM 782 O GLN A 53 -4.704 -3.002 0.556 1.00 5.51 O ATOM 783 CB GLN A 53 -3.767 -4.532 -2.447 1.00 7.00 C ATOM 784 CG GLN A 53 -3.188 -5.867 -2.837 1.00 7.73 C ATOM 785 CD GLN A 53 -1.664 -5.940 -2.621 1.00 8.54 C ATOM 786 OE1 GLN A 53 -0.883 -5.628 -3.499 1.00 9.11 O ATOM 787 NE2 GLN A 53 -1.268 -6.347 -1.429 1.00 8.65 N ATOM 0 H GLN A 53 -4.563 -5.882 -0.412 1.00 6.77 H new ATOM 0 HA GLN A 53 -2.366 -3.961 -0.966 1.00 6.78 H new ATOM 0 HB2 GLN A 53 -4.849 -4.551 -2.577 1.00 7.00 H new ATOM 0 HB3 GLN A 53 -3.380 -3.758 -3.109 1.00 7.00 H new ATOM 0 HG2 GLN A 53 -3.671 -6.652 -2.255 1.00 7.73 H new ATOM 0 HG3 GLN A 53 -3.412 -6.063 -3.885 1.00 7.73 H new ATOM 0 HE21 GLN A 53 -1.958 -6.599 -0.721 1.00 8.65 H new ATOM 0 HE22 GLN A 53 -0.272 -6.409 -1.216 1.00 8.65 H new ATOM 796 N THR A 54 -4.265 -1.948 -1.301 1.00 5.92 N ATOM 797 CA THR A 54 -4.904 -0.780 -0.804 1.00 5.23 C ATOM 798 C THR A 54 -5.848 -0.157 -1.828 1.00 5.04 C ATOM 799 O THR A 54 -5.854 -0.529 -3.008 1.00 5.63 O ATOM 800 CB THR A 54 -3.851 0.253 -0.282 1.00 5.45 C ATOM 801 OG1 THR A 54 -4.464 1.435 0.201 1.00 4.93 O ATOM 802 CG2 THR A 54 -2.891 0.617 -1.363 1.00 5.93 C ATOM 0 H THR A 54 -3.906 -1.889 -2.254 1.00 5.92 H new ATOM 0 HA THR A 54 -5.523 -1.083 0.040 1.00 5.23 H new ATOM 0 HB THR A 54 -3.321 -0.227 0.541 1.00 5.45 H new ATOM 0 HG1 THR A 54 -4.362 1.482 1.175 1.00 4.93 H new ATOM 0 HG21 THR A 54 -2.167 1.336 -0.980 1.00 5.93 H new ATOM 0 HG22 THR A 54 -2.369 -0.278 -1.702 1.00 5.93 H new ATOM 0 HG23 THR A 54 -3.434 1.059 -2.198 1.00 5.93 H new ATOM 810 N PHE A 55 -6.641 0.751 -1.335 1.00 4.34 N ATOM 811 CA PHE A 55 -7.568 1.553 -2.087 1.00 4.27 C ATOM 812 C PHE A 55 -7.408 2.964 -1.579 1.00 3.93 C ATOM 813 O PHE A 55 -6.987 3.142 -0.438 1.00 3.54 O ATOM 814 CB PHE A 55 -9.022 1.077 -1.890 1.00 3.91 C ATOM 815 CG PHE A 55 -9.344 -0.261 -2.509 1.00 4.29 C ATOM 816 CD1 PHE A 55 -9.710 -0.326 -3.839 1.00 4.83 C ATOM 817 CD2 PHE A 55 -9.293 -1.450 -1.772 1.00 4.24 C ATOM 818 CE1 PHE A 55 -10.004 -1.531 -4.438 1.00 5.27 C ATOM 819 CE2 PHE A 55 -9.601 -2.651 -2.375 1.00 4.63 C ATOM 820 CZ PHE A 55 -9.956 -2.686 -3.708 1.00 5.13 C ATOM 0 H PHE A 55 -6.660 0.965 -0.338 1.00 4.34 H new ATOM 0 HA PHE A 55 -7.361 1.478 -3.154 1.00 4.27 H new ATOM 0 HB2 PHE A 55 -9.230 1.026 -0.821 1.00 3.91 H new ATOM 0 HB3 PHE A 55 -9.694 1.826 -2.310 1.00 3.91 H new ATOM 0 HD1 PHE A 55 -9.767 0.583 -4.419 1.00 4.83 H new ATOM 0 HD2 PHE A 55 -9.012 -1.427 -0.729 1.00 4.24 H new ATOM 0 HE1 PHE A 55 -10.272 -1.563 -5.484 1.00 5.27 H new ATOM 0 HE2 PHE A 55 -9.564 -3.566 -1.803 1.00 4.63 H new ATOM 0 HZ PHE A 55 -10.197 -3.629 -4.176 1.00 5.13 H new ATOM 830 N ILE A 56 -7.713 3.945 -2.407 1.00 4.24 N ATOM 831 CA ILE A 56 -7.551 5.349 -2.034 1.00 4.10 C ATOM 832 C ILE A 56 -8.762 5.848 -1.248 1.00 3.68 C ATOM 833 O ILE A 56 -9.920 5.571 -1.631 1.00 3.75 O ATOM 834 CB ILE A 56 -7.327 6.267 -3.296 1.00 4.78 C ATOM 835 CG1 ILE A 56 -7.121 7.736 -2.912 1.00 4.73 C ATOM 836 CG2 ILE A 56 -8.433 6.115 -4.337 1.00 5.23 C ATOM 837 CD1 ILE A 56 -5.883 7.974 -2.066 1.00 4.53 C ATOM 0 H ILE A 56 -8.077 3.800 -3.349 1.00 4.24 H new ATOM 0 HA ILE A 56 -6.664 5.409 -1.404 1.00 4.10 H new ATOM 0 HB ILE A 56 -6.405 5.918 -3.761 1.00 4.78 H new ATOM 0 HG12 ILE A 56 -7.051 8.334 -3.821 1.00 4.73 H new ATOM 0 HG13 ILE A 56 -7.997 8.087 -2.366 1.00 4.73 H new ATOM 0 HG21 ILE A 56 -8.228 6.770 -5.184 1.00 5.23 H new ATOM 0 HG22 ILE A 56 -8.471 5.081 -4.679 1.00 5.23 H new ATOM 0 HG23 ILE A 56 -9.391 6.386 -3.893 1.00 5.23 H new ATOM 0 HD11 ILE A 56 -5.801 9.035 -1.832 1.00 4.53 H new ATOM 0 HD12 ILE A 56 -5.959 7.403 -1.141 1.00 4.53 H new ATOM 0 HD13 ILE A 56 -4.999 7.655 -2.617 1.00 4.53 H new ATOM 849 N CYS A 57 -8.509 6.550 -0.137 1.00 3.44 N ATOM 850 CA CYS A 57 -9.566 7.126 0.635 1.00 3.38 C ATOM 851 C CYS A 57 -10.213 8.320 -0.070 1.00 3.93 C ATOM 852 O CYS A 57 -9.933 9.477 0.234 1.00 4.21 O ATOM 853 CB CYS A 57 -9.095 7.517 2.064 1.00 3.28 C ATOM 854 SG CYS A 57 -10.408 8.099 3.164 1.00 4.03 S ATOM 0 H CYS A 57 -7.573 6.721 0.231 1.00 3.44 H new ATOM 0 HA CYS A 57 -10.327 6.353 0.735 1.00 3.38 H new ATOM 0 HB2 CYS A 57 -8.614 6.653 2.522 1.00 3.28 H new ATOM 0 HB3 CYS A 57 -8.338 8.297 1.981 1.00 3.28 H new ATOM 0 HG CYS A 57 -11.488 7.406 2.955 1.00 4.03 H new ATOM 860 N THR A 58 -10.991 8.037 -1.064 1.00 4.31 N ATOM 861 CA THR A 58 -11.838 9.039 -1.659 1.00 5.03 C ATOM 862 C THR A 58 -13.109 9.182 -0.823 1.00 5.13 C ATOM 863 O THR A 58 -13.969 10.029 -1.094 1.00 5.79 O ATOM 864 CB THR A 58 -12.187 8.690 -3.121 1.00 5.61 C ATOM 865 OG1 THR A 58 -12.606 7.319 -3.208 1.00 6.01 O ATOM 866 CG2 THR A 58 -10.993 8.925 -4.026 1.00 5.89 C ATOM 0 H THR A 58 -11.063 7.113 -1.490 1.00 4.31 H new ATOM 0 HA THR A 58 -11.300 9.987 -1.673 1.00 5.03 H new ATOM 0 HB THR A 58 -13.001 9.337 -3.448 1.00 5.61 H new ATOM 0 HG1 THR A 58 -12.828 7.103 -4.138 1.00 6.01 H new ATOM 0 HG21 THR A 58 -11.259 8.673 -5.053 1.00 5.89 H new ATOM 0 HG22 THR A 58 -10.698 9.973 -3.974 1.00 5.89 H new ATOM 0 HG23 THR A 58 -10.162 8.298 -3.702 1.00 5.89 H new ATOM 874 N THR A 59 -13.213 8.334 0.195 1.00 4.66 N ATOM 875 CA THR A 59 -14.325 8.316 1.127 1.00 4.98 C ATOM 876 C THR A 59 -13.862 7.558 2.355 1.00 4.60 C ATOM 877 O THR A 59 -12.987 6.697 2.248 1.00 4.34 O ATOM 878 CB THR A 59 -15.602 7.623 0.508 1.00 5.47 C ATOM 879 OG1 THR A 59 -16.002 8.296 -0.690 1.00 6.19 O ATOM 880 CG2 THR A 59 -16.783 7.653 1.485 1.00 5.90 C ATOM 0 H THR A 59 -12.508 7.625 0.396 1.00 4.66 H new ATOM 0 HA THR A 59 -14.615 9.337 1.374 1.00 4.98 H new ATOM 0 HB THR A 59 -15.333 6.589 0.294 1.00 5.47 H new ATOM 0 HG1 THR A 59 -16.793 7.855 -1.064 1.00 6.19 H new ATOM 0 HG21 THR A 59 -17.646 7.168 1.028 1.00 5.90 H new ATOM 0 HG22 THR A 59 -16.512 7.125 2.399 1.00 5.90 H new ATOM 0 HG23 THR A 59 -17.032 8.687 1.723 1.00 5.90 H new ATOM 888 N SER A 60 -14.386 7.895 3.507 1.00 4.93 N ATOM 889 CA SER A 60 -14.009 7.216 4.695 1.00 5.08 C ATOM 890 C SER A 60 -14.779 5.921 4.725 1.00 4.91 C ATOM 891 O SER A 60 -15.963 5.901 4.349 1.00 5.44 O ATOM 892 CB SER A 60 -14.328 8.087 5.924 1.00 5.82 C ATOM 893 OG SER A 60 -13.888 7.484 7.131 1.00 6.47 O ATOM 0 H SER A 60 -15.074 8.637 3.635 1.00 4.93 H new ATOM 0 HA SER A 60 -12.938 7.015 4.716 1.00 5.08 H new ATOM 0 HB2 SER A 60 -13.853 9.061 5.811 1.00 5.82 H new ATOM 0 HB3 SER A 60 -15.403 8.261 5.976 1.00 5.82 H new ATOM 0 HG SER A 60 -14.107 8.068 7.887 1.00 6.47 H new ATOM 899 N GLU A 61 -14.121 4.851 5.148 1.00 4.39 N ATOM 900 CA GLU A 61 -14.743 3.517 5.194 1.00 4.24 C ATOM 901 C GLU A 61 -16.050 3.564 5.972 1.00 4.81 C ATOM 902 O GLU A 61 -16.984 2.874 5.647 1.00 4.86 O ATOM 903 CB GLU A 61 -13.818 2.481 5.866 1.00 4.06 C ATOM 904 CG GLU A 61 -14.391 1.060 5.813 1.00 4.21 C ATOM 905 CD GLU A 61 -13.612 0.048 6.620 1.00 4.27 C ATOM 906 OE1 GLU A 61 -12.524 -0.354 6.188 1.00 4.60 O ATOM 907 OE2 GLU A 61 -14.120 -0.370 7.696 1.00 4.34 O ATOM 0 H GLU A 61 -13.152 4.872 5.467 1.00 4.39 H new ATOM 0 HA GLU A 61 -14.927 3.218 4.162 1.00 4.24 H new ATOM 0 HB2 GLU A 61 -12.845 2.495 5.375 1.00 4.06 H new ATOM 0 HB3 GLU A 61 -13.655 2.765 6.906 1.00 4.06 H new ATOM 0 HG2 GLU A 61 -15.420 1.081 6.173 1.00 4.21 H new ATOM 0 HG3 GLU A 61 -14.424 0.732 4.774 1.00 4.21 H new ATOM 914 N VAL A 62 -16.104 4.426 6.972 1.00 5.34 N ATOM 915 CA VAL A 62 -17.248 4.549 7.833 1.00 6.05 C ATOM 916 C VAL A 62 -18.520 4.984 7.079 1.00 6.40 C ATOM 917 O VAL A 62 -19.615 4.553 7.430 1.00 6.81 O ATOM 918 CB VAL A 62 -16.938 5.474 9.023 1.00 6.66 C ATOM 919 CG1 VAL A 62 -18.142 5.624 9.938 1.00 7.23 C ATOM 920 CG2 VAL A 62 -15.746 4.924 9.804 1.00 7.09 C ATOM 0 H VAL A 62 -15.342 5.063 7.205 1.00 5.34 H new ATOM 0 HA VAL A 62 -17.463 3.555 8.225 1.00 6.05 H new ATOM 0 HB VAL A 62 -16.693 6.462 8.633 1.00 6.66 H new ATOM 0 HG11 VAL A 62 -17.888 6.284 10.768 1.00 7.23 H new ATOM 0 HG12 VAL A 62 -18.974 6.050 9.377 1.00 7.23 H new ATOM 0 HG13 VAL A 62 -18.428 4.646 10.326 1.00 7.23 H new ATOM 0 HG21 VAL A 62 -15.528 5.581 10.646 1.00 7.09 H new ATOM 0 HG22 VAL A 62 -15.982 3.926 10.174 1.00 7.09 H new ATOM 0 HG23 VAL A 62 -14.875 4.872 9.150 1.00 7.09 H new ATOM 930 N LYS A 63 -18.392 5.778 6.023 1.00 6.35 N ATOM 931 CA LYS A 63 -19.603 6.171 5.304 1.00 6.86 C ATOM 932 C LYS A 63 -19.992 5.004 4.394 1.00 6.61 C ATOM 933 O LYS A 63 -21.165 4.689 4.214 1.00 7.11 O ATOM 934 CB LYS A 63 -19.395 7.493 4.508 1.00 7.01 C ATOM 935 CG LYS A 63 -20.707 8.223 4.055 1.00 7.83 C ATOM 936 CD LYS A 63 -21.595 7.427 3.064 1.00 8.08 C ATOM 937 CE LYS A 63 -20.998 7.331 1.665 1.00 8.93 C ATOM 938 NZ LYS A 63 -20.978 8.650 0.985 1.00 9.36 N ATOM 0 H LYS A 63 -17.514 6.147 5.658 1.00 6.35 H new ATOM 0 HA LYS A 63 -20.411 6.379 6.005 1.00 6.86 H new ATOM 0 HB2 LYS A 63 -18.812 8.179 5.123 1.00 7.01 H new ATOM 0 HB3 LYS A 63 -18.798 7.273 3.623 1.00 7.01 H new ATOM 0 HG2 LYS A 63 -21.298 8.457 4.940 1.00 7.83 H new ATOM 0 HG3 LYS A 63 -20.435 9.172 3.593 1.00 7.83 H new ATOM 0 HD2 LYS A 63 -21.752 6.422 3.454 1.00 8.08 H new ATOM 0 HD3 LYS A 63 -22.574 7.902 3.002 1.00 8.08 H new ATOM 0 HE2 LYS A 63 -19.983 6.939 1.729 1.00 8.93 H new ATOM 0 HE3 LYS A 63 -21.576 6.624 1.070 1.00 8.93 H new ATOM 0 HZ1 LYS A 63 -20.743 8.519 -0.020 1.00 9.36 H new ATOM 0 HZ2 LYS A 63 -21.914 9.097 1.066 1.00 9.36 H new ATOM 0 HZ3 LYS A 63 -20.263 9.260 1.431 1.00 9.36 H new ATOM 952 N CYS A 64 -18.993 4.339 3.863 1.00 5.90 N ATOM 953 CA CYS A 64 -19.221 3.180 3.031 1.00 5.63 C ATOM 954 C CYS A 64 -19.804 2.052 3.890 1.00 5.60 C ATOM 955 O CYS A 64 -20.560 1.230 3.417 1.00 5.71 O ATOM 956 CB CYS A 64 -17.909 2.752 2.372 1.00 4.97 C ATOM 957 SG CYS A 64 -17.142 4.043 1.358 1.00 4.95 S ATOM 0 H CYS A 64 -18.011 4.582 3.993 1.00 5.90 H new ATOM 0 HA CYS A 64 -19.933 3.419 2.241 1.00 5.63 H new ATOM 0 HB2 CYS A 64 -17.206 2.448 3.148 1.00 4.97 H new ATOM 0 HB3 CYS A 64 -18.095 1.877 1.749 1.00 4.97 H new ATOM 0 HG CYS A 64 -16.037 3.591 0.843 1.00 4.95 H new ATOM 963 N ARG A 65 -19.464 2.084 5.166 1.00 5.62 N ATOM 964 CA ARG A 65 -19.892 1.137 6.142 1.00 5.84 C ATOM 965 C ARG A 65 -21.392 1.114 6.293 1.00 6.60 C ATOM 966 O ARG A 65 -22.007 0.066 6.123 1.00 6.69 O ATOM 967 CB ARG A 65 -19.219 1.445 7.465 1.00 5.99 C ATOM 968 CG ARG A 65 -19.656 0.572 8.587 1.00 5.98 C ATOM 969 CD ARG A 65 -18.865 0.872 9.844 1.00 6.32 C ATOM 970 NE ARG A 65 -19.204 -0.033 10.944 1.00 6.70 N ATOM 971 CZ ARG A 65 -18.515 -0.143 12.098 1.00 7.13 C ATOM 972 NH1 ARG A 65 -17.417 0.604 12.316 1.00 7.25 N ATOM 973 NH2 ARG A 65 -18.901 -1.012 13.021 1.00 7.69 N ATOM 0 H ARG A 65 -18.856 2.807 5.552 1.00 5.62 H new ATOM 0 HA ARG A 65 -19.599 0.142 5.806 1.00 5.84 H new ATOM 0 HB2 ARG A 65 -18.140 1.348 7.343 1.00 5.99 H new ATOM 0 HB3 ARG A 65 -19.418 2.484 7.728 1.00 5.99 H new ATOM 0 HG2 ARG A 65 -20.719 0.721 8.777 1.00 5.98 H new ATOM 0 HG3 ARG A 65 -19.525 -0.474 8.311 1.00 5.98 H new ATOM 0 HD2 ARG A 65 -17.800 0.794 9.627 1.00 6.32 H new ATOM 0 HD3 ARG A 65 -19.053 1.901 10.152 1.00 6.32 H new ATOM 0 HE ARG A 65 -20.025 -0.627 10.828 1.00 6.70 H new ATOM 0 HH11 ARG A 65 -17.098 1.262 11.605 1.00 7.25 H new ATOM 0 HH12 ARG A 65 -16.904 0.512 13.193 1.00 7.25 H new ATOM 0 HH21 ARG A 65 -19.720 -1.598 12.859 1.00 7.69 H new ATOM 0 HH22 ARG A 65 -18.379 -1.095 13.894 1.00 7.69 H new ATOM 987 N GLU A 66 -21.982 2.272 6.563 1.00 7.20 N ATOM 988 CA GLU A 66 -23.430 2.354 6.764 1.00 8.03 C ATOM 989 C GLU A 66 -24.165 1.970 5.488 1.00 8.03 C ATOM 990 O GLU A 66 -25.229 1.373 5.529 1.00 8.42 O ATOM 991 CB GLU A 66 -23.866 3.752 7.229 1.00 8.67 C ATOM 992 CG GLU A 66 -23.528 4.863 6.233 1.00 8.45 C ATOM 993 CD GLU A 66 -24.078 6.209 6.634 1.00 9.17 C ATOM 994 OE1 GLU A 66 -25.248 6.486 6.375 1.00 9.78 O ATOM 995 OE2 GLU A 66 -23.315 7.002 7.250 1.00 9.24 O ATOM 0 H GLU A 66 -21.489 3.161 6.648 1.00 7.20 H new ATOM 0 HA GLU A 66 -23.691 1.649 7.553 1.00 8.03 H new ATOM 0 HB2 GLU A 66 -24.942 3.748 7.404 1.00 8.67 H new ATOM 0 HB3 GLU A 66 -23.388 3.974 8.183 1.00 8.67 H new ATOM 0 HG2 GLU A 66 -22.445 4.935 6.133 1.00 8.45 H new ATOM 0 HG3 GLU A 66 -23.921 4.595 5.252 1.00 8.45 H new ATOM 1002 N HIS A 67 -23.569 2.306 4.355 1.00 7.64 N ATOM 1003 CA HIS A 67 -24.161 1.989 3.083 1.00 7.74 C ATOM 1004 C HIS A 67 -24.079 0.485 2.854 1.00 7.19 C ATOM 1005 O HIS A 67 -25.007 -0.124 2.329 1.00 7.42 O ATOM 1006 CB HIS A 67 -23.457 2.772 1.943 1.00 7.65 C ATOM 1007 CG HIS A 67 -24.107 2.602 0.590 1.00 7.96 C ATOM 1008 ND1 HIS A 67 -24.799 3.610 -0.045 1.00 8.79 N ATOM 1009 CD2 HIS A 67 -24.145 1.548 -0.249 1.00 7.62 C ATOM 1010 CE1 HIS A 67 -25.245 3.172 -1.199 1.00 8.97 C ATOM 1011 NE2 HIS A 67 -24.856 1.928 -1.343 1.00 8.28 N ATOM 0 H HIS A 67 -22.677 2.797 4.299 1.00 7.64 H new ATOM 0 HA HIS A 67 -25.209 2.288 3.084 1.00 7.74 H new ATOM 0 HB2 HIS A 67 -23.444 3.832 2.198 1.00 7.65 H new ATOM 0 HB3 HIS A 67 -22.419 2.446 1.880 1.00 7.65 H new ATOM 0 HD2 HIS A 67 -23.694 0.581 -0.083 1.00 7.62 H new ATOM 0 HE1 HIS A 67 -25.831 3.738 -1.908 1.00 8.97 H new ATOM 0 HE2 HIS A 67 -25.056 1.338 -2.150 1.00 8.28 H new ATOM 1020 N ALA A 68 -22.987 -0.101 3.279 1.00 6.53 N ATOM 1021 CA ALA A 68 -22.745 -1.506 3.111 1.00 6.01 C ATOM 1022 C ALA A 68 -23.641 -2.342 3.997 1.00 6.43 C ATOM 1023 O ALA A 68 -24.268 -3.265 3.529 1.00 6.43 O ATOM 1024 CB ALA A 68 -21.284 -1.833 3.370 1.00 5.28 C ATOM 0 H ALA A 68 -22.234 0.394 3.757 1.00 6.53 H new ATOM 0 HA ALA A 68 -22.982 -1.755 2.077 1.00 6.01 H new ATOM 0 HB1 ALA A 68 -21.122 -2.903 3.238 1.00 5.28 H new ATOM 0 HB2 ALA A 68 -20.658 -1.281 2.669 1.00 5.28 H new ATOM 0 HB3 ALA A 68 -21.023 -1.550 4.390 1.00 5.28 H new ATOM 1030 N GLU A 69 -23.726 -2.003 5.271 1.00 6.88 N ATOM 1031 CA GLU A 69 -24.510 -2.798 6.207 1.00 7.44 C ATOM 1032 C GLU A 69 -26.014 -2.648 5.985 1.00 8.10 C ATOM 1033 O GLU A 69 -26.795 -3.477 6.426 1.00 8.50 O ATOM 1034 CB GLU A 69 -24.086 -2.568 7.673 1.00 7.93 C ATOM 1035 CG GLU A 69 -24.237 -1.157 8.217 1.00 7.64 C ATOM 1036 CD GLU A 69 -23.677 -1.041 9.630 1.00 7.66 C ATOM 1037 OE1 GLU A 69 -22.471 -0.790 9.778 1.00 7.77 O ATOM 1038 OE2 GLU A 69 -24.458 -1.176 10.604 1.00 7.78 O ATOM 0 H GLU A 69 -23.267 -1.190 5.681 1.00 6.88 H new ATOM 0 HA GLU A 69 -24.284 -3.843 5.993 1.00 7.44 H new ATOM 0 HB2 GLU A 69 -24.668 -3.239 8.304 1.00 7.93 H new ATOM 0 HB3 GLU A 69 -23.041 -2.861 7.774 1.00 7.93 H new ATOM 0 HG2 GLU A 69 -23.721 -0.456 7.561 1.00 7.64 H new ATOM 0 HG3 GLU A 69 -25.290 -0.877 8.218 1.00 7.64 H new ATOM 1045 N ALA A 70 -26.403 -1.598 5.282 1.00 8.29 N ATOM 1046 CA ALA A 70 -27.788 -1.377 4.937 1.00 8.98 C ATOM 1047 C ALA A 70 -28.115 -1.952 3.559 1.00 8.74 C ATOM 1048 O ALA A 70 -29.281 -2.151 3.230 1.00 9.31 O ATOM 1049 CB ALA A 70 -28.119 0.114 4.967 1.00 9.41 C ATOM 0 H ALA A 70 -25.766 -0.879 4.937 1.00 8.29 H new ATOM 0 HA ALA A 70 -28.398 -1.893 5.679 1.00 8.98 H new ATOM 0 HB1 ALA A 70 -29.167 0.259 4.704 1.00 9.41 H new ATOM 0 HB2 ALA A 70 -27.938 0.507 5.967 1.00 9.41 H new ATOM 0 HB3 ALA A 70 -27.489 0.641 4.251 1.00 9.41 H new ATOM 1055 N LYS A 71 -27.091 -2.205 2.756 1.00 7.94 N ATOM 1056 CA LYS A 71 -27.296 -2.730 1.402 1.00 7.72 C ATOM 1057 C LYS A 71 -26.652 -4.102 1.223 1.00 7.00 C ATOM 1058 O LYS A 71 -27.336 -5.113 1.342 1.00 7.10 O ATOM 1059 CB LYS A 71 -26.805 -1.735 0.311 1.00 7.70 C ATOM 1060 CG LYS A 71 -27.565 -0.407 0.250 1.00 8.55 C ATOM 1061 CD LYS A 71 -29.044 -0.601 -0.104 1.00 9.28 C ATOM 1062 CE LYS A 71 -29.784 0.727 -0.143 1.00 10.04 C ATOM 1063 NZ LYS A 71 -31.209 0.549 -0.474 1.00 10.32 N ATOM 0 H LYS A 71 -26.114 -2.058 3.011 1.00 7.94 H new ATOM 0 HA LYS A 71 -28.372 -2.851 1.273 1.00 7.72 H new ATOM 0 HB2 LYS A 71 -25.750 -1.524 0.483 1.00 7.70 H new ATOM 0 HB3 LYS A 71 -26.878 -2.222 -0.661 1.00 7.70 H new ATOM 0 HG2 LYS A 71 -27.487 0.099 1.212 1.00 8.55 H new ATOM 0 HG3 LYS A 71 -27.098 0.243 -0.490 1.00 8.55 H new ATOM 0 HD2 LYS A 71 -29.126 -1.094 -1.073 1.00 9.28 H new ATOM 0 HD3 LYS A 71 -29.512 -1.259 0.629 1.00 9.28 H new ATOM 0 HE2 LYS A 71 -29.694 1.222 0.824 1.00 10.04 H new ATOM 0 HE3 LYS A 71 -29.318 1.381 -0.880 1.00 10.04 H new ATOM 0 HZ1 LYS A 71 -31.680 1.476 -0.491 1.00 10.32 H new ATOM 0 HZ2 LYS A 71 -31.295 0.100 -1.408 1.00 10.32 H new ATOM 0 HZ3 LYS A 71 -31.659 -0.055 0.243 1.00 10.32 H new ATOM 1077 N HIS A 72 -25.327 -4.116 0.976 1.00 6.33 N ATOM 1078 CA HIS A 72 -24.517 -5.354 0.743 1.00 5.62 C ATOM 1079 C HIS A 72 -25.178 -6.384 -0.212 1.00 5.65 C ATOM 1080 O HIS A 72 -25.322 -7.556 0.147 1.00 5.60 O ATOM 1081 CB HIS A 72 -24.041 -6.039 2.067 1.00 5.47 C ATOM 1082 CG HIS A 72 -25.143 -6.525 3.010 1.00 6.14 C ATOM 1083 ND1 HIS A 72 -25.725 -7.775 2.929 1.00 6.44 N ATOM 1084 CD2 HIS A 72 -25.751 -5.912 4.045 1.00 6.81 C ATOM 1085 CE1 HIS A 72 -26.627 -7.903 3.872 1.00 7.21 C ATOM 1086 NE2 HIS A 72 -26.665 -6.785 4.562 1.00 7.47 N ATOM 0 H HIS A 72 -24.771 -3.262 0.930 1.00 6.33 H new ATOM 0 HA HIS A 72 -23.631 -4.987 0.226 1.00 5.62 H new ATOM 0 HB2 HIS A 72 -23.413 -6.891 1.805 1.00 5.47 H new ATOM 0 HB3 HIS A 72 -23.411 -5.334 2.610 1.00 5.47 H new ATOM 0 HD1 HIS A 72 -25.489 -8.490 2.241 1.00 6.44 H new ATOM 0 HD2 HIS A 72 -25.552 -4.912 4.401 1.00 6.81 H new ATOM 0 HE1 HIS A 72 -27.235 -8.778 4.051 1.00 7.21 H new ATOM 1095 N PRO A 73 -25.577 -5.979 -1.445 1.00 5.90 N ATOM 1096 CA PRO A 73 -26.230 -6.884 -2.369 1.00 6.06 C ATOM 1097 C PRO A 73 -25.267 -7.871 -3.025 1.00 5.49 C ATOM 1098 O PRO A 73 -25.410 -9.087 -2.880 1.00 5.49 O ATOM 1099 CB PRO A 73 -26.878 -5.968 -3.424 1.00 6.60 C ATOM 1100 CG PRO A 73 -26.616 -4.565 -2.961 1.00 6.81 C ATOM 1101 CD PRO A 73 -25.457 -4.637 -2.004 1.00 6.21 C ATOM 0 HA PRO A 73 -26.953 -7.511 -1.847 1.00 6.06 H new ATOM 0 HB2 PRO A 73 -26.448 -6.141 -4.410 1.00 6.60 H new ATOM 0 HB3 PRO A 73 -27.948 -6.160 -3.505 1.00 6.60 H new ATOM 0 HG2 PRO A 73 -26.382 -3.916 -3.805 1.00 6.81 H new ATOM 0 HG3 PRO A 73 -27.496 -4.148 -2.472 1.00 6.81 H new ATOM 0 HD2 PRO A 73 -24.504 -4.495 -2.513 1.00 6.21 H new ATOM 0 HD3 PRO A 73 -25.523 -3.871 -1.232 1.00 6.21 H new ATOM 1109 N LYS A 74 -24.275 -7.349 -3.719 1.00 5.12 N ATOM 1110 CA LYS A 74 -23.346 -8.178 -4.471 1.00 4.75 C ATOM 1111 C LYS A 74 -22.043 -7.450 -4.770 1.00 4.46 C ATOM 1112 O LYS A 74 -21.989 -6.544 -5.601 1.00 4.75 O ATOM 1113 CB LYS A 74 -23.981 -8.678 -5.779 1.00 5.23 C ATOM 1114 CG LYS A 74 -24.562 -7.573 -6.685 1.00 5.74 C ATOM 1115 CD LYS A 74 -25.063 -8.122 -8.021 1.00 6.36 C ATOM 1116 CE LYS A 74 -23.946 -8.788 -8.839 1.00 6.91 C ATOM 1117 NZ LYS A 74 -24.426 -9.251 -10.165 1.00 7.32 N ATOM 0 H LYS A 74 -24.089 -6.348 -3.779 1.00 5.12 H new ATOM 0 HA LYS A 74 -23.114 -9.037 -3.841 1.00 4.75 H new ATOM 0 HB2 LYS A 74 -23.229 -9.231 -6.342 1.00 5.23 H new ATOM 0 HB3 LYS A 74 -24.777 -9.381 -5.533 1.00 5.23 H new ATOM 0 HG2 LYS A 74 -25.383 -7.077 -6.168 1.00 5.74 H new ATOM 0 HG3 LYS A 74 -23.798 -6.818 -6.869 1.00 5.74 H new ATOM 0 HD2 LYS A 74 -25.856 -8.847 -7.838 1.00 6.36 H new ATOM 0 HD3 LYS A 74 -25.501 -7.311 -8.603 1.00 6.36 H new ATOM 0 HE2 LYS A 74 -23.127 -8.082 -8.977 1.00 6.91 H new ATOM 0 HE3 LYS A 74 -23.546 -9.635 -8.283 1.00 6.91 H new ATOM 0 HZ1 LYS A 74 -23.641 -9.694 -10.683 1.00 7.32 H new ATOM 0 HZ2 LYS A 74 -25.190 -9.945 -10.035 1.00 7.32 H new ATOM 0 HZ3 LYS A 74 -24.784 -8.439 -10.707 1.00 7.32 H new ATOM 1131 N ALA A 75 -21.020 -7.804 -4.064 1.00 4.19 N ATOM 1132 CA ALA A 75 -19.708 -7.246 -4.316 1.00 4.02 C ATOM 1133 C ALA A 75 -19.001 -8.054 -5.421 1.00 4.43 C ATOM 1134 O ALA A 75 -18.705 -9.224 -5.238 1.00 4.52 O ATOM 1135 CB ALA A 75 -18.882 -7.218 -3.035 1.00 3.36 C ATOM 0 H ALA A 75 -21.056 -8.480 -3.301 1.00 4.19 H new ATOM 0 HA ALA A 75 -19.817 -6.217 -4.659 1.00 4.02 H new ATOM 0 HB1 ALA A 75 -17.899 -6.795 -3.245 1.00 3.36 H new ATOM 0 HB2 ALA A 75 -19.388 -6.606 -2.289 1.00 3.36 H new ATOM 0 HB3 ALA A 75 -18.767 -8.233 -2.654 1.00 3.36 H new ATOM 1141 N ASP A 76 -18.776 -7.431 -6.581 1.00 5.01 N ATOM 1142 CA ASP A 76 -18.105 -8.122 -7.708 1.00 5.63 C ATOM 1143 C ASP A 76 -16.769 -7.498 -8.036 1.00 5.81 C ATOM 1144 O ASP A 76 -15.727 -8.020 -7.662 1.00 5.63 O ATOM 1145 CB ASP A 76 -18.976 -8.144 -8.940 1.00 6.39 C ATOM 1146 CG ASP A 76 -18.316 -8.905 -10.081 1.00 6.62 C ATOM 1147 OD1 ASP A 76 -18.429 -10.140 -10.125 1.00 6.80 O ATOM 1148 OD2 ASP A 76 -17.704 -8.263 -10.946 1.00 6.82 O ATOM 0 H ASP A 76 -19.040 -6.465 -6.772 1.00 5.01 H new ATOM 0 HA ASP A 76 -17.932 -9.148 -7.384 1.00 5.63 H new ATOM 0 HB2 ASP A 76 -19.934 -8.606 -8.701 1.00 6.39 H new ATOM 0 HB3 ASP A 76 -19.185 -7.122 -9.257 1.00 6.39 H new ATOM 1153 N VAL A 77 -16.791 -6.359 -8.711 1.00 6.30 N ATOM 1154 CA VAL A 77 -15.554 -5.650 -9.016 1.00 6.58 C ATOM 1155 C VAL A 77 -15.034 -4.995 -7.747 1.00 5.93 C ATOM 1156 O VAL A 77 -13.875 -4.654 -7.619 1.00 6.00 O ATOM 1157 CB VAL A 77 -15.745 -4.599 -10.150 1.00 7.48 C ATOM 1158 CG1 VAL A 77 -16.249 -5.289 -11.410 1.00 8.15 C ATOM 1159 CG2 VAL A 77 -16.697 -3.469 -9.734 1.00 7.55 C ATOM 0 H VAL A 77 -17.639 -5.909 -9.055 1.00 6.30 H new ATOM 0 HA VAL A 77 -14.823 -6.370 -9.384 1.00 6.58 H new ATOM 0 HB VAL A 77 -14.776 -4.141 -10.350 1.00 7.48 H new ATOM 0 HG11 VAL A 77 -16.381 -4.551 -12.201 1.00 8.15 H new ATOM 0 HG12 VAL A 77 -15.524 -6.037 -11.730 1.00 8.15 H new ATOM 0 HG13 VAL A 77 -17.203 -5.774 -11.203 1.00 8.15 H new ATOM 0 HG21 VAL A 77 -16.800 -2.760 -10.555 1.00 7.55 H new ATOM 0 HG22 VAL A 77 -17.674 -3.887 -9.491 1.00 7.55 H new ATOM 0 HG23 VAL A 77 -16.294 -2.957 -8.861 1.00 7.55 H new ATOM 1169 N VAL A 78 -15.931 -4.856 -6.805 1.00 5.38 N ATOM 1170 CA VAL A 78 -15.603 -4.340 -5.501 1.00 4.74 C ATOM 1171 C VAL A 78 -15.589 -5.480 -4.481 1.00 4.00 C ATOM 1172 O VAL A 78 -15.590 -5.246 -3.301 1.00 3.42 O ATOM 1173 CB VAL A 78 -16.585 -3.222 -5.029 1.00 4.78 C ATOM 1174 CG1 VAL A 78 -16.537 -2.012 -5.960 1.00 5.65 C ATOM 1175 CG2 VAL A 78 -18.000 -3.750 -4.904 1.00 4.70 C ATOM 0 H VAL A 78 -16.915 -5.099 -6.922 1.00 5.38 H new ATOM 0 HA VAL A 78 -14.614 -3.888 -5.575 1.00 4.74 H new ATOM 0 HB VAL A 78 -16.259 -2.897 -4.041 1.00 4.78 H new ATOM 0 HG11 VAL A 78 -17.232 -1.251 -5.604 1.00 5.65 H new ATOM 0 HG12 VAL A 78 -15.527 -1.603 -5.973 1.00 5.65 H new ATOM 0 HG13 VAL A 78 -16.818 -2.317 -6.968 1.00 5.65 H new ATOM 0 HG21 VAL A 78 -18.660 -2.948 -4.574 1.00 4.70 H new ATOM 0 HG22 VAL A 78 -18.337 -4.121 -5.872 1.00 4.70 H new ATOM 0 HG23 VAL A 78 -18.023 -4.561 -4.176 1.00 4.70 H new ATOM 1185 N ALA A 79 -15.541 -6.741 -4.964 1.00 4.18 N ATOM 1186 CA ALA A 79 -15.426 -7.926 -4.052 1.00 3.76 C ATOM 1187 C ALA A 79 -14.112 -7.876 -3.300 1.00 3.69 C ATOM 1188 O ALA A 79 -13.913 -8.553 -2.298 1.00 3.56 O ATOM 1189 CB ALA A 79 -15.528 -9.235 -4.831 1.00 4.24 C ATOM 0 H ALA A 79 -15.578 -6.974 -5.956 1.00 4.18 H new ATOM 0 HA ALA A 79 -16.252 -7.887 -3.342 1.00 3.76 H new ATOM 0 HB1 ALA A 79 -15.441 -10.076 -4.143 1.00 4.24 H new ATOM 0 HB2 ALA A 79 -16.490 -9.281 -5.341 1.00 4.24 H new ATOM 0 HB3 ALA A 79 -14.725 -9.284 -5.567 1.00 4.24 H new ATOM 1195 N CYS A 80 -13.231 -7.048 -3.808 1.00 4.00 N ATOM 1196 CA CYS A 80 -11.947 -6.774 -3.231 1.00 4.07 C ATOM 1197 C CYS A 80 -12.104 -6.027 -1.906 1.00 3.33 C ATOM 1198 O CYS A 80 -11.168 -5.941 -1.126 1.00 3.38 O ATOM 1199 CB CYS A 80 -11.132 -5.973 -4.222 1.00 4.73 C ATOM 1200 SG CYS A 80 -10.910 -6.773 -5.828 1.00 5.60 S ATOM 0 H CYS A 80 -13.401 -6.528 -4.669 1.00 4.00 H new ATOM 0 HA CYS A 80 -11.428 -7.708 -3.015 1.00 4.07 H new ATOM 0 HB2 CYS A 80 -11.615 -5.008 -4.374 1.00 4.73 H new ATOM 0 HB3 CYS A 80 -10.151 -5.774 -3.790 1.00 4.73 H new ATOM 0 HG CYS A 80 -10.202 -6.005 -6.601 1.00 5.60 H new ATOM 1206 N PHE A 81 -13.282 -5.466 -1.685 1.00 2.86 N ATOM 1207 CA PHE A 81 -13.638 -4.888 -0.411 1.00 2.27 C ATOM 1208 C PHE A 81 -15.154 -4.614 -0.418 1.00 2.17 C ATOM 1209 O PHE A 81 -15.606 -3.554 -0.846 1.00 2.52 O ATOM 1210 CB PHE A 81 -12.830 -3.611 -0.078 1.00 2.41 C ATOM 1211 CG PHE A 81 -12.813 -3.310 1.401 1.00 3.01 C ATOM 1212 CD1 PHE A 81 -12.115 -4.147 2.255 1.00 3.67 C ATOM 1213 CD2 PHE A 81 -13.478 -2.217 1.938 1.00 3.50 C ATOM 1214 CE1 PHE A 81 -12.080 -3.911 3.611 1.00 4.68 C ATOM 1215 CE2 PHE A 81 -13.439 -1.977 3.302 1.00 4.57 C ATOM 1216 CZ PHE A 81 -12.746 -2.827 4.136 1.00 5.13 C ATOM 0 H PHE A 81 -14.016 -5.401 -2.390 1.00 2.86 H new ATOM 0 HA PHE A 81 -13.385 -5.596 0.378 1.00 2.27 H new ATOM 0 HB2 PHE A 81 -11.806 -3.729 -0.434 1.00 2.41 H new ATOM 0 HB3 PHE A 81 -13.258 -2.764 -0.614 1.00 2.41 H new ATOM 0 HD1 PHE A 81 -11.589 -4.999 1.851 1.00 3.67 H new ATOM 0 HD2 PHE A 81 -14.028 -1.551 1.290 1.00 3.50 H new ATOM 0 HE1 PHE A 81 -11.531 -4.575 4.262 1.00 4.68 H new ATOM 0 HE2 PHE A 81 -13.953 -1.121 3.713 1.00 4.57 H new ATOM 0 HZ PHE A 81 -12.725 -2.643 5.200 1.00 5.13 H new ATOM 1226 N PRO A 82 -15.980 -5.620 0.014 1.00 2.09 N ATOM 1227 CA PRO A 82 -17.483 -5.565 -0.053 1.00 2.39 C ATOM 1228 C PRO A 82 -18.110 -4.481 0.797 1.00 2.74 C ATOM 1229 O PRO A 82 -19.328 -4.367 0.869 1.00 3.27 O ATOM 1230 CB PRO A 82 -17.917 -6.940 0.472 1.00 2.47 C ATOM 1231 CG PRO A 82 -16.704 -7.807 0.337 1.00 2.41 C ATOM 1232 CD PRO A 82 -15.526 -6.907 0.554 1.00 2.19 C ATOM 0 HA PRO A 82 -17.805 -5.333 -1.068 1.00 2.39 H new ATOM 0 HB2 PRO A 82 -18.246 -6.880 1.509 1.00 2.47 H new ATOM 0 HB3 PRO A 82 -18.752 -7.337 -0.105 1.00 2.47 H new ATOM 0 HG2 PRO A 82 -16.718 -8.614 1.069 1.00 2.41 H new ATOM 0 HG3 PRO A 82 -16.664 -8.271 -0.648 1.00 2.41 H new ATOM 0 HD2 PRO A 82 -15.267 -6.831 1.610 1.00 2.19 H new ATOM 0 HD3 PRO A 82 -14.640 -7.271 0.034 1.00 2.19 H new ATOM 1240 N HIS A 83 -17.291 -3.677 1.420 1.00 2.68 N ATOM 1241 CA HIS A 83 -17.781 -2.581 2.218 1.00 3.26 C ATOM 1242 C HIS A 83 -17.940 -1.352 1.338 1.00 3.66 C ATOM 1243 O HIS A 83 -18.358 -0.313 1.798 1.00 4.25 O ATOM 1244 CB HIS A 83 -16.829 -2.263 3.392 1.00 3.25 C ATOM 1245 CG HIS A 83 -16.700 -3.354 4.436 1.00 3.45 C ATOM 1246 ND1 HIS A 83 -16.831 -3.121 5.798 1.00 3.86 N ATOM 1247 CD2 HIS A 83 -16.393 -4.672 4.320 1.00 3.77 C ATOM 1248 CE1 HIS A 83 -16.618 -4.247 6.459 1.00 4.24 C ATOM 1249 NE2 HIS A 83 -16.358 -5.200 5.587 1.00 4.19 N ATOM 0 H HIS A 83 -16.275 -3.760 1.391 1.00 2.68 H new ATOM 0 HA HIS A 83 -18.744 -2.869 2.639 1.00 3.26 H new ATOM 0 HB2 HIS A 83 -15.839 -2.051 2.988 1.00 3.25 H new ATOM 0 HB3 HIS A 83 -17.175 -1.353 3.882 1.00 3.25 H new ATOM 0 HD2 HIS A 83 -16.210 -5.207 3.400 1.00 3.77 H new ATOM 0 HE1 HIS A 83 -16.652 -4.365 7.532 1.00 4.24 H new ATOM 0 HE2 HIS A 83 -16.162 -6.174 5.817 1.00 4.19 H new ATOM 1258 N LEU A 84 -17.600 -1.494 0.046 1.00 3.56 N ATOM 1259 CA LEU A 84 -17.653 -0.379 -0.899 1.00 4.20 C ATOM 1260 C LEU A 84 -18.790 -0.547 -1.912 1.00 4.81 C ATOM 1261 O LEU A 84 -18.868 0.210 -2.880 1.00 5.47 O ATOM 1262 CB LEU A 84 -16.331 -0.285 -1.674 1.00 4.05 C ATOM 1263 CG LEU A 84 -15.047 -0.250 -0.837 1.00 3.39 C ATOM 1264 CD1 LEU A 84 -13.823 -0.108 -1.735 1.00 3.60 C ATOM 1265 CD2 LEU A 84 -15.083 0.855 0.216 1.00 3.49 C ATOM 0 H LEU A 84 -17.286 -2.374 -0.363 1.00 3.56 H new ATOM 0 HA LEU A 84 -17.826 0.527 -0.318 1.00 4.20 H new ATOM 0 HB2 LEU A 84 -16.272 -1.136 -2.353 1.00 4.05 H new ATOM 0 HB3 LEU A 84 -16.361 0.613 -2.291 1.00 4.05 H new ATOM 0 HG LEU A 84 -14.977 -1.199 -0.305 1.00 3.39 H new ATOM 0 HD11 LEU A 84 -12.922 -0.085 -1.122 1.00 3.60 H new ATOM 0 HD12 LEU A 84 -13.774 -0.954 -2.420 1.00 3.60 H new ATOM 0 HD13 LEU A 84 -13.896 0.817 -2.306 1.00 3.60 H new ATOM 0 HD21 LEU A 84 -14.154 0.844 0.786 1.00 3.49 H new ATOM 0 HD22 LEU A 84 -15.196 1.822 -0.275 1.00 3.49 H new ATOM 0 HD23 LEU A 84 -15.924 0.689 0.889 1.00 3.49 H new ATOM 1277 N LYS A 85 -19.654 -1.544 -1.715 1.00 4.68 N ATOM 1278 CA LYS A 85 -20.747 -1.769 -2.642 1.00 5.28 C ATOM 1279 C LYS A 85 -21.787 -0.673 -2.632 1.00 6.06 C ATOM 1280 O LYS A 85 -21.972 0.042 -1.658 1.00 6.40 O ATOM 1281 CB LYS A 85 -21.416 -3.142 -2.453 1.00 5.04 C ATOM 1282 CG LYS A 85 -21.201 -4.115 -3.608 1.00 5.59 C ATOM 1283 CD LYS A 85 -21.768 -3.600 -4.955 1.00 6.41 C ATOM 1284 CE LYS A 85 -23.289 -3.464 -4.928 1.00 7.19 C ATOM 1285 NZ LYS A 85 -23.828 -2.869 -6.184 1.00 8.04 N ATOM 0 H LYS A 85 -19.614 -2.196 -0.932 1.00 4.68 H new ATOM 0 HA LYS A 85 -20.275 -1.754 -3.624 1.00 5.28 H new ATOM 0 HB2 LYS A 85 -21.035 -3.595 -1.538 1.00 5.04 H new ATOM 0 HB3 LYS A 85 -22.487 -2.994 -2.314 1.00 5.04 H new ATOM 0 HG2 LYS A 85 -20.134 -4.306 -3.720 1.00 5.59 H new ATOM 0 HG3 LYS A 85 -21.671 -5.068 -3.364 1.00 5.59 H new ATOM 0 HD2 LYS A 85 -21.323 -2.633 -5.188 1.00 6.41 H new ATOM 0 HD3 LYS A 85 -21.480 -4.284 -5.753 1.00 6.41 H new ATOM 0 HE2 LYS A 85 -23.736 -4.446 -4.773 1.00 7.19 H new ATOM 0 HE3 LYS A 85 -23.581 -2.843 -4.081 1.00 7.19 H new ATOM 0 HZ1 LYS A 85 -24.510 -2.120 -5.949 1.00 8.04 H new ATOM 0 HZ2 LYS A 85 -23.047 -2.464 -6.739 1.00 8.04 H new ATOM 0 HZ3 LYS A 85 -24.303 -3.607 -6.742 1.00 8.04 H new ATOM 1299 N LYS A 86 -22.455 -0.601 -3.736 1.00 6.60 N ATOM 1300 CA LYS A 86 -23.487 0.372 -4.004 1.00 7.50 C ATOM 1301 C LYS A 86 -24.845 -0.293 -3.880 1.00 8.13 C ATOM 1302 O LYS A 86 -25.196 -1.083 -4.777 1.00 8.62 O ATOM 1303 CB LYS A 86 -23.293 0.977 -5.410 1.00 8.04 C ATOM 1304 CG LYS A 86 -24.346 2.010 -5.838 1.00 8.96 C ATOM 1305 CD LYS A 86 -24.381 3.210 -4.904 1.00 9.74 C ATOM 1306 CE LYS A 86 -25.447 4.224 -5.329 1.00 10.66 C ATOM 1307 NZ LYS A 86 -25.210 4.764 -6.690 1.00 11.10 N ATOM 1308 OXT LYS A 86 -25.541 -0.027 -2.893 1.00 8.37 O ATOM 0 H LYS A 86 -22.297 -1.241 -4.514 1.00 6.60 H new ATOM 0 HA LYS A 86 -23.426 1.183 -3.279 1.00 7.50 H new ATOM 0 HB2 LYS A 86 -22.311 1.447 -5.451 1.00 8.04 H new ATOM 0 HB3 LYS A 86 -23.289 0.166 -6.138 1.00 8.04 H new ATOM 0 HG2 LYS A 86 -24.132 2.347 -6.852 1.00 8.96 H new ATOM 0 HG3 LYS A 86 -25.329 1.538 -5.859 1.00 8.96 H new ATOM 0 HD2 LYS A 86 -24.582 2.874 -3.887 1.00 9.74 H new ATOM 0 HD3 LYS A 86 -23.403 3.692 -4.893 1.00 9.74 H new ATOM 0 HE2 LYS A 86 -26.428 3.750 -5.296 1.00 10.66 H new ATOM 0 HE3 LYS A 86 -25.466 5.047 -4.614 1.00 10.66 H new ATOM 0 HZ1 LYS A 86 -25.853 5.563 -6.864 1.00 11.10 H new ATOM 0 HZ2 LYS A 86 -24.225 5.089 -6.768 1.00 11.10 H new ATOM 0 HZ3 LYS A 86 -25.385 4.019 -7.394 1.00 11.10 H new TER 1322 LYS A 86