USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 595 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 29 HIS : no HE2:sc= 1.03 K(o=2.1,f=-3.7!) USER MOD Set 1.2: A 61 THR OG1 : rot 80:sc= 1.05 USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= -0.546 USER MOD Set 2.2: A 17 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 1.53 (180deg=0.138) USER MOD Single : A 13 MET CE :methyl -150:sc= 0 (180deg=-0.467) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -169:sc= 0.284 USER MOD Single : A 20 HIS :FLIP no HD1:sc= -0.352 F(o=-1.6,f=-0.35) USER MOD Single : A 21 LYS NZ :NH3+ -132:sc= 0.967 (180deg=-0.568) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -120:sc= -0.139 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -179:sc= -0.189 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 42 ASN : amide:sc= 0.702 K(o=0.7,f=-9.8!) USER MOD Single : A 43 LYS NZ :NH3+ 158:sc= 1.78 (180deg=0.636) USER MOD Single : A 45 HIS : no HE2:sc= -2.07! C(o=-2.1!,f=-3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 110:sc= -0.0829 USER MOD Single : A 60 HIS : no HE2:sc= 2.09 K(o=2.1,f=-14!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -69:sc= 1.05 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.024) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.648 -16.362 7.720 1.00 6.47 N ATOM 2 CA MET A 1 12.862 -14.911 7.612 1.00 5.53 C ATOM 3 C MET A 1 13.188 -14.626 6.153 1.00 4.05 C ATOM 4 O MET A 1 13.552 -15.565 5.448 1.00 4.05 O ATOM 5 CB MET A 1 14.003 -14.419 8.517 1.00 6.51 C ATOM 6 CG MET A 1 13.754 -14.729 9.997 1.00 8.05 C ATOM 7 SD MET A 1 13.999 -16.464 10.451 1.00 9.25 S ATOM 8 CE MET A 1 13.298 -16.466 12.114 1.00 11.09 C ATOM 0 H1 MET A 1 13.175 -16.731 8.538 1.00 6.47 H new ATOM 0 H2 MET A 1 11.634 -16.555 7.846 1.00 6.47 H new ATOM 0 H3 MET A 1 12.984 -16.828 6.853 1.00 6.47 H new ATOM 0 HA MET A 1 11.967 -14.382 7.939 1.00 5.53 H new ATOM 0 HB2 MET A 1 14.937 -14.885 8.204 1.00 6.51 H new ATOM 0 HB3 MET A 1 14.125 -13.343 8.390 1.00 6.51 H new ATOM 0 HG2 MET A 1 14.418 -14.111 10.601 1.00 8.05 H new ATOM 0 HG3 MET A 1 12.733 -14.441 10.249 1.00 8.05 H new ATOM 0 HE1 MET A 1 13.371 -17.467 12.538 1.00 11.09 H new ATOM 0 HE2 MET A 1 13.848 -15.765 12.742 1.00 11.09 H new ATOM 0 HE3 MET A 1 12.251 -16.167 12.068 1.00 11.09 H new ATOM 20 N GLY A 2 13.048 -13.377 5.727 1.00 3.85 N ATOM 21 CA GLY A 2 13.168 -12.926 4.353 1.00 3.69 C ATOM 22 C GLY A 2 12.149 -11.807 4.208 1.00 3.04 C ATOM 23 O GLY A 2 12.519 -10.641 4.084 1.00 4.01 O ATOM 0 H GLY A 2 12.836 -12.613 6.368 1.00 3.85 H new ATOM 0 HA2 GLY A 2 14.176 -12.570 4.143 1.00 3.69 H new ATOM 0 HA3 GLY A 2 12.964 -13.737 3.654 1.00 3.69 H new ATOM 27 N ASP A 3 10.873 -12.189 4.343 1.00 2.31 N ATOM 28 CA ASP A 3 9.765 -11.284 4.613 1.00 2.00 C ATOM 29 C ASP A 3 9.710 -10.207 3.523 1.00 1.57 C ATOM 30 O ASP A 3 10.090 -10.465 2.381 1.00 2.41 O ATOM 31 CB ASP A 3 9.890 -10.717 6.044 1.00 2.48 C ATOM 32 CG ASP A 3 10.256 -11.781 7.081 1.00 3.84 C ATOM 33 OD1 ASP A 3 9.329 -12.447 7.583 1.00 4.91 O ATOM 34 OD2 ASP A 3 11.472 -11.944 7.335 1.00 4.79 O ATOM 0 H ASP A 3 10.582 -13.163 4.264 1.00 2.31 H new ATOM 0 HA ASP A 3 8.813 -11.813 4.577 1.00 2.00 H new ATOM 0 HB2 ASP A 3 10.648 -9.933 6.053 1.00 2.48 H new ATOM 0 HB3 ASP A 3 8.946 -10.251 6.328 1.00 2.48 H new ATOM 39 N GLY A 4 9.273 -8.993 3.860 1.00 1.21 N ATOM 40 CA GLY A 4 9.355 -7.874 2.939 1.00 1.40 C ATOM 41 C GLY A 4 8.479 -6.709 3.376 1.00 1.32 C ATOM 42 O GLY A 4 7.485 -6.886 4.086 1.00 2.11 O ATOM 0 H GLY A 4 8.860 -8.766 4.765 1.00 1.21 H new ATOM 0 HA2 GLY A 4 10.390 -7.541 2.865 1.00 1.40 H new ATOM 0 HA3 GLY A 4 9.053 -8.201 1.944 1.00 1.40 H new ATOM 46 N VAL A 5 8.851 -5.507 2.932 1.00 1.04 N ATOM 47 CA VAL A 5 8.019 -4.323 3.003 1.00 1.09 C ATOM 48 C VAL A 5 8.207 -3.559 1.697 1.00 1.12 C ATOM 49 O VAL A 5 9.198 -3.778 1.000 1.00 1.80 O ATOM 50 CB VAL A 5 8.344 -3.458 4.244 1.00 1.22 C ATOM 51 CG1 VAL A 5 8.621 -4.285 5.509 1.00 1.97 C ATOM 52 CG2 VAL A 5 9.537 -2.517 4.029 1.00 2.00 C ATOM 0 H VAL A 5 9.761 -5.335 2.505 1.00 1.04 H new ATOM 0 HA VAL A 5 6.972 -4.603 3.122 1.00 1.09 H new ATOM 0 HB VAL A 5 7.437 -2.871 4.388 1.00 1.22 H new ATOM 0 HG11 VAL A 5 8.842 -3.615 6.340 1.00 1.97 H new ATOM 0 HG12 VAL A 5 7.744 -4.886 5.750 1.00 1.97 H new ATOM 0 HG13 VAL A 5 9.474 -4.941 5.335 1.00 1.97 H new ATOM 0 HG21 VAL A 5 9.712 -1.939 4.936 1.00 2.00 H new ATOM 0 HG22 VAL A 5 10.425 -3.103 3.795 1.00 2.00 H new ATOM 0 HG23 VAL A 5 9.322 -1.839 3.203 1.00 2.00 H new ATOM 62 N LEU A 6 7.284 -2.653 1.384 1.00 0.78 N ATOM 63 CA LEU A 6 7.460 -1.667 0.337 1.00 0.79 C ATOM 64 C LEU A 6 6.639 -0.449 0.732 1.00 0.75 C ATOM 65 O LEU A 6 5.594 -0.587 1.375 1.00 0.98 O ATOM 66 CB LEU A 6 7.013 -2.232 -1.021 1.00 1.04 C ATOM 67 CG LEU A 6 7.388 -1.394 -2.252 1.00 1.26 C ATOM 68 CD1 LEU A 6 8.904 -1.215 -2.389 1.00 2.09 C ATOM 69 CD2 LEU A 6 6.848 -2.092 -3.506 1.00 1.76 C ATOM 0 H LEU A 6 6.384 -2.587 1.860 1.00 0.78 H new ATOM 0 HA LEU A 6 8.510 -1.394 0.228 1.00 0.79 H new ATOM 0 HB2 LEU A 6 7.443 -3.227 -1.138 1.00 1.04 H new ATOM 0 HB3 LEU A 6 5.930 -2.353 -1.004 1.00 1.04 H new ATOM 0 HG LEU A 6 6.948 -0.404 -2.134 1.00 1.26 H new ATOM 0 HD11 LEU A 6 9.121 -0.616 -3.273 1.00 2.09 H new ATOM 0 HD12 LEU A 6 9.292 -0.710 -1.504 1.00 2.09 H new ATOM 0 HD13 LEU A 6 9.378 -2.192 -2.487 1.00 2.09 H new ATOM 0 HD21 LEU A 6 7.107 -1.507 -4.388 1.00 1.76 H new ATOM 0 HD22 LEU A 6 7.288 -3.086 -3.587 1.00 1.76 H new ATOM 0 HD23 LEU A 6 5.764 -2.180 -3.435 1.00 1.76 H new ATOM 81 N GLU A 7 7.126 0.727 0.344 1.00 0.77 N ATOM 82 CA GLU A 7 6.435 1.982 0.523 1.00 0.78 C ATOM 83 C GLU A 7 6.142 2.537 -0.862 1.00 0.80 C ATOM 84 O GLU A 7 7.033 2.580 -1.708 1.00 0.96 O ATOM 85 CB GLU A 7 7.280 2.939 1.364 1.00 0.84 C ATOM 86 CG GLU A 7 7.695 2.248 2.670 1.00 0.81 C ATOM 87 CD GLU A 7 8.153 3.239 3.728 1.00 1.26 C ATOM 88 OE1 GLU A 7 8.766 4.252 3.326 1.00 1.88 O ATOM 89 OE2 GLU A 7 7.823 3.009 4.910 1.00 2.56 O ATOM 0 H GLU A 7 8.033 0.826 -0.113 1.00 0.77 H new ATOM 0 HA GLU A 7 5.499 1.846 1.064 1.00 0.78 H new ATOM 0 HB2 GLU A 7 8.165 3.245 0.806 1.00 0.84 H new ATOM 0 HB3 GLU A 7 6.713 3.844 1.584 1.00 0.84 H new ATOM 0 HG2 GLU A 7 6.855 1.671 3.056 1.00 0.81 H new ATOM 0 HG3 GLU A 7 8.499 1.542 2.465 1.00 0.81 H new ATOM 96 N LEU A 8 4.884 2.904 -1.098 1.00 0.75 N ATOM 97 CA LEU A 8 4.433 3.495 -2.344 1.00 0.76 C ATOM 98 C LEU A 8 3.780 4.827 -1.987 1.00 0.78 C ATOM 99 O LEU A 8 2.889 4.866 -1.141 1.00 0.97 O ATOM 100 CB LEU A 8 3.481 2.561 -3.129 1.00 0.81 C ATOM 101 CG LEU A 8 2.798 1.442 -2.315 1.00 0.61 C ATOM 102 CD1 LEU A 8 1.460 1.056 -2.954 1.00 1.51 C ATOM 103 CD2 LEU A 8 3.682 0.186 -2.266 1.00 1.48 C ATOM 0 H LEU A 8 4.139 2.794 -0.410 1.00 0.75 H new ATOM 0 HA LEU A 8 5.275 3.654 -3.017 1.00 0.76 H new ATOM 0 HB2 LEU A 8 2.705 3.172 -3.589 1.00 0.81 H new ATOM 0 HB3 LEU A 8 4.045 2.099 -3.939 1.00 0.81 H new ATOM 0 HG LEU A 8 2.638 1.822 -1.306 1.00 0.61 H new ATOM 0 HD11 LEU A 8 0.991 0.266 -2.368 1.00 1.51 H new ATOM 0 HD12 LEU A 8 0.804 1.926 -2.979 1.00 1.51 H new ATOM 0 HD13 LEU A 8 1.631 0.701 -3.970 1.00 1.51 H new ATOM 0 HD21 LEU A 8 3.181 -0.590 -1.687 1.00 1.48 H new ATOM 0 HD22 LEU A 8 3.858 -0.175 -3.279 1.00 1.48 H new ATOM 0 HD23 LEU A 8 4.635 0.430 -1.797 1.00 1.48 H new ATOM 115 N VAL A 9 4.228 5.924 -2.598 1.00 0.69 N ATOM 116 CA VAL A 9 3.515 7.192 -2.522 1.00 0.74 C ATOM 117 C VAL A 9 2.176 6.991 -3.231 1.00 0.73 C ATOM 118 O VAL A 9 2.133 6.222 -4.179 1.00 0.85 O ATOM 119 CB VAL A 9 4.382 8.298 -3.145 1.00 0.90 C ATOM 120 CG1 VAL A 9 3.582 9.553 -3.500 1.00 0.99 C ATOM 121 CG2 VAL A 9 5.479 8.694 -2.149 1.00 0.99 C ATOM 0 H VAL A 9 5.084 5.956 -3.152 1.00 0.69 H new ATOM 0 HA VAL A 9 3.318 7.506 -1.497 1.00 0.74 H new ATOM 0 HB VAL A 9 4.799 7.895 -4.068 1.00 0.90 H new ATOM 0 HG11 VAL A 9 4.248 10.298 -3.936 1.00 0.99 H new ATOM 0 HG12 VAL A 9 2.804 9.297 -4.219 1.00 0.99 H new ATOM 0 HG13 VAL A 9 3.124 9.959 -2.598 1.00 0.99 H new ATOM 0 HG21 VAL A 9 6.099 9.478 -2.583 1.00 0.99 H new ATOM 0 HG22 VAL A 9 5.021 9.060 -1.230 1.00 0.99 H new ATOM 0 HG23 VAL A 9 6.098 7.825 -1.925 1.00 0.99 H new ATOM 131 N VAL A 10 1.090 7.608 -2.756 1.00 0.81 N ATOM 132 CA VAL A 10 -0.256 7.397 -3.295 1.00 0.79 C ATOM 133 C VAL A 10 -1.036 8.710 -3.316 1.00 0.93 C ATOM 134 O VAL A 10 -1.821 9.012 -2.413 1.00 1.52 O ATOM 135 CB VAL A 10 -1.020 6.294 -2.547 1.00 0.75 C ATOM 136 CG1 VAL A 10 -0.684 4.889 -3.044 1.00 1.11 C ATOM 137 CG2 VAL A 10 -0.725 6.343 -1.063 1.00 1.14 C ATOM 0 H VAL A 10 1.121 8.272 -1.982 1.00 0.81 H new ATOM 0 HA VAL A 10 -0.147 7.048 -4.322 1.00 0.79 H new ATOM 0 HB VAL A 10 -2.075 6.490 -2.741 1.00 0.75 H new ATOM 0 HG11 VAL A 10 -1.256 4.156 -2.476 1.00 1.11 H new ATOM 0 HG12 VAL A 10 -0.937 4.807 -4.101 1.00 1.11 H new ATOM 0 HG13 VAL A 10 0.381 4.701 -2.910 1.00 1.11 H new ATOM 0 HG21 VAL A 10 -1.278 5.552 -0.556 1.00 1.14 H new ATOM 0 HG22 VAL A 10 0.343 6.201 -0.900 1.00 1.14 H new ATOM 0 HG23 VAL A 10 -1.028 7.311 -0.664 1.00 1.14 H new ATOM 147 N ARG A 11 -0.871 9.480 -4.391 1.00 0.75 N ATOM 148 CA ARG A 11 -1.747 10.619 -4.640 1.00 0.91 C ATOM 149 C ARG A 11 -3.184 10.094 -4.652 1.00 0.76 C ATOM 150 O ARG A 11 -3.417 8.982 -5.127 1.00 0.80 O ATOM 151 CB ARG A 11 -1.429 11.320 -5.969 1.00 1.28 C ATOM 152 CG ARG A 11 0.052 11.673 -6.158 1.00 1.34 C ATOM 153 CD ARG A 11 0.487 12.893 -5.343 1.00 1.83 C ATOM 154 NE ARG A 11 1.916 13.158 -5.577 1.00 2.58 N ATOM 155 CZ ARG A 11 2.930 12.967 -4.716 1.00 3.97 C ATOM 156 NH1 ARG A 11 2.713 12.502 -3.482 1.00 5.19 N ATOM 157 NH2 ARG A 11 4.179 13.252 -5.100 1.00 4.88 N ATOM 0 H ARG A 11 -0.147 9.337 -5.095 1.00 0.75 H new ATOM 0 HA ARG A 11 -1.600 11.363 -3.857 1.00 0.91 H new ATOM 0 HB2 ARG A 11 -1.745 10.677 -6.790 1.00 1.28 H new ATOM 0 HB3 ARG A 11 -2.020 12.234 -6.035 1.00 1.28 H new ATOM 0 HG2 ARG A 11 0.663 10.816 -5.873 1.00 1.34 H new ATOM 0 HG3 ARG A 11 0.242 11.863 -7.214 1.00 1.34 H new ATOM 0 HD2 ARG A 11 -0.106 13.763 -5.626 1.00 1.83 H new ATOM 0 HD3 ARG A 11 0.308 12.717 -4.282 1.00 1.83 H new ATOM 0 HE ARG A 11 2.164 13.528 -6.495 1.00 2.58 H new ATOM 0 HH11 ARG A 11 1.764 12.285 -3.178 1.00 5.19 H new ATOM 0 HH12 ARG A 11 3.497 12.364 -2.844 1.00 5.19 H new ATOM 0 HH21 ARG A 11 4.355 13.611 -6.039 1.00 4.88 H new ATOM 0 HH22 ARG A 11 4.956 13.111 -4.454 1.00 4.88 H new ATOM 171 N GLY A 12 -4.117 10.864 -4.087 1.00 0.82 N ATOM 172 CA GLY A 12 -5.511 10.470 -3.935 1.00 0.92 C ATOM 173 C GLY A 12 -5.902 10.350 -2.462 1.00 0.82 C ATOM 174 O GLY A 12 -7.076 10.517 -2.127 1.00 1.08 O ATOM 0 H GLY A 12 -3.917 11.793 -3.718 1.00 0.82 H new ATOM 0 HA2 GLY A 12 -6.153 11.203 -4.424 1.00 0.92 H new ATOM 0 HA3 GLY A 12 -5.677 9.516 -4.436 1.00 0.92 H new ATOM 178 N MET A 13 -4.951 10.069 -1.559 1.00 0.78 N ATOM 179 CA MET A 13 -5.248 10.023 -0.130 1.00 0.94 C ATOM 180 C MET A 13 -5.547 11.417 0.433 1.00 1.22 C ATOM 181 O MET A 13 -4.714 12.022 1.101 1.00 1.93 O ATOM 182 CB MET A 13 -4.132 9.352 0.671 1.00 1.10 C ATOM 183 CG MET A 13 -3.901 7.875 0.358 1.00 1.13 C ATOM 184 SD MET A 13 -3.160 6.962 1.740 1.00 1.71 S ATOM 185 CE MET A 13 -1.759 8.013 2.176 1.00 1.24 C ATOM 0 H MET A 13 -3.979 9.872 -1.796 1.00 0.78 H new ATOM 0 HA MET A 13 -6.145 9.413 -0.024 1.00 0.94 H new ATOM 0 HB2 MET A 13 -3.203 9.894 0.493 1.00 1.10 H new ATOM 0 HB3 MET A 13 -4.360 9.450 1.732 1.00 1.10 H new ATOM 0 HG2 MET A 13 -4.852 7.413 0.093 1.00 1.13 H new ATOM 0 HG3 MET A 13 -3.252 7.792 -0.514 1.00 1.13 H new ATOM 0 HE1 MET A 13 -0.955 7.398 2.581 1.00 1.24 H new ATOM 0 HE2 MET A 13 -1.405 8.534 1.287 1.00 1.24 H new ATOM 0 HE3 MET A 13 -2.070 8.742 2.924 1.00 1.24 H new ATOM 195 N THR A 14 -6.755 11.915 0.173 1.00 1.06 N ATOM 196 CA THR A 14 -7.224 13.203 0.661 1.00 1.35 C ATOM 197 C THR A 14 -7.629 13.143 2.141 1.00 1.55 C ATOM 198 O THR A 14 -7.477 14.134 2.852 1.00 2.44 O ATOM 199 CB THR A 14 -8.351 13.721 -0.255 1.00 1.62 C ATOM 200 OG1 THR A 14 -8.815 14.982 0.176 1.00 2.31 O ATOM 201 CG2 THR A 14 -9.561 12.782 -0.350 1.00 1.81 C ATOM 0 H THR A 14 -7.445 11.422 -0.394 1.00 1.06 H new ATOM 0 HA THR A 14 -6.404 13.920 0.619 1.00 1.35 H new ATOM 0 HB THR A 14 -7.895 13.785 -1.243 1.00 1.62 H new ATOM 0 HG1 THR A 14 -9.528 15.290 -0.422 1.00 2.31 H new ATOM 0 HG21 THR A 14 -10.309 13.218 -1.013 1.00 1.81 H new ATOM 0 HG22 THR A 14 -9.243 11.818 -0.746 1.00 1.81 H new ATOM 0 HG23 THR A 14 -9.992 12.642 0.641 1.00 1.81 H new ATOM 209 N CYS A 15 -8.173 12.011 2.607 1.00 1.40 N ATOM 210 CA CYS A 15 -8.903 11.943 3.871 1.00 1.62 C ATOM 211 C CYS A 15 -8.757 10.557 4.509 1.00 1.55 C ATOM 212 O CYS A 15 -8.464 9.584 3.815 1.00 2.11 O ATOM 213 CB CYS A 15 -10.374 12.269 3.578 1.00 1.87 C ATOM 214 SG CYS A 15 -11.401 12.110 5.058 1.00 2.98 S ATOM 0 H CYS A 15 -8.117 11.119 2.115 1.00 1.40 H new ATOM 0 HA CYS A 15 -8.498 12.662 4.583 1.00 1.62 H new ATOM 0 HB2 CYS A 15 -10.451 13.284 3.189 1.00 1.87 H new ATOM 0 HB3 CYS A 15 -10.747 11.601 2.802 1.00 1.87 H new ATOM 0 HG CYS A 15 -12.634 12.397 4.763 1.00 2.98 H new ATOM 220 N ALA A 16 -8.966 10.470 5.829 1.00 1.47 N ATOM 221 CA ALA A 16 -9.019 9.239 6.614 1.00 1.50 C ATOM 222 C ALA A 16 -9.809 8.110 5.935 1.00 1.32 C ATOM 223 O ALA A 16 -9.475 6.937 6.096 1.00 2.35 O ATOM 224 CB ALA A 16 -9.619 9.549 7.987 1.00 1.70 C ATOM 0 H ALA A 16 -9.109 11.301 6.403 1.00 1.47 H new ATOM 0 HA ALA A 16 -7.996 8.874 6.710 1.00 1.50 H new ATOM 0 HB1 ALA A 16 -9.662 8.635 8.580 1.00 1.70 H new ATOM 0 HB2 ALA A 16 -8.997 10.284 8.498 1.00 1.70 H new ATOM 0 HB3 ALA A 16 -10.625 9.949 7.862 1.00 1.70 H new ATOM 230 N SER A 17 -10.854 8.443 5.173 1.00 0.70 N ATOM 231 CA SER A 17 -11.559 7.466 4.360 1.00 0.83 C ATOM 232 C SER A 17 -10.573 6.713 3.461 1.00 0.81 C ATOM 233 O SER A 17 -10.523 5.489 3.477 1.00 1.05 O ATOM 234 CB SER A 17 -12.626 8.193 3.538 1.00 1.06 C ATOM 235 OG SER A 17 -12.076 9.378 2.990 1.00 2.69 O ATOM 0 H SER A 17 -11.228 9.390 5.107 1.00 0.70 H new ATOM 0 HA SER A 17 -12.045 6.727 4.996 1.00 0.83 H new ATOM 0 HB2 SER A 17 -12.989 7.545 2.740 1.00 1.06 H new ATOM 0 HB3 SER A 17 -13.483 8.434 4.167 1.00 1.06 H new ATOM 0 HG SER A 17 -12.759 9.842 2.463 1.00 2.69 H new ATOM 241 N CYS A 18 -9.764 7.439 2.690 1.00 0.65 N ATOM 242 CA CYS A 18 -8.756 6.853 1.820 1.00 0.63 C ATOM 243 C CYS A 18 -7.786 6.018 2.638 1.00 0.53 C ATOM 244 O CYS A 18 -7.545 4.867 2.290 1.00 0.51 O ATOM 245 CB CYS A 18 -8.018 7.931 1.031 1.00 0.71 C ATOM 246 SG CYS A 18 -9.157 8.723 -0.132 1.00 0.88 S ATOM 0 H CYS A 18 -9.793 8.458 2.654 1.00 0.65 H new ATOM 0 HA CYS A 18 -9.254 6.203 1.101 1.00 0.63 H new ATOM 0 HB2 CYS A 18 -7.603 8.674 1.712 1.00 0.71 H new ATOM 0 HB3 CYS A 18 -7.180 7.491 0.491 1.00 0.71 H new ATOM 0 HG CYS A 18 -8.485 9.472 -0.955 1.00 0.88 H new ATOM 252 N VAL A 19 -7.265 6.578 3.734 1.00 0.55 N ATOM 253 CA VAL A 19 -6.373 5.876 4.644 1.00 0.51 C ATOM 254 C VAL A 19 -6.925 4.486 4.932 1.00 0.49 C ATOM 255 O VAL A 19 -6.335 3.478 4.532 1.00 0.47 O ATOM 256 CB VAL A 19 -6.174 6.683 5.938 1.00 0.57 C ATOM 257 CG1 VAL A 19 -5.316 5.956 6.976 1.00 0.64 C ATOM 258 CG2 VAL A 19 -5.567 8.048 5.620 1.00 0.64 C ATOM 0 H VAL A 19 -7.456 7.541 4.012 1.00 0.55 H new ATOM 0 HA VAL A 19 -5.395 5.767 4.176 1.00 0.51 H new ATOM 0 HB VAL A 19 -7.162 6.809 6.381 1.00 0.57 H new ATOM 0 HG11 VAL A 19 -5.214 6.579 7.865 1.00 0.64 H new ATOM 0 HG12 VAL A 19 -5.792 5.014 7.246 1.00 0.64 H new ATOM 0 HG13 VAL A 19 -4.329 5.757 6.558 1.00 0.64 H new ATOM 0 HG21 VAL A 19 -5.431 8.610 6.544 1.00 0.64 H new ATOM 0 HG22 VAL A 19 -4.602 7.912 5.132 1.00 0.64 H new ATOM 0 HG23 VAL A 19 -6.235 8.597 4.956 1.00 0.64 H new ATOM 268 N HIS A 20 -8.099 4.448 5.570 1.00 0.56 N ATOM 269 CA HIS A 20 -8.704 3.190 5.956 1.00 0.61 C ATOM 270 C HIS A 20 -9.059 2.351 4.724 1.00 0.56 C ATOM 271 O HIS A 20 -9.120 1.133 4.827 1.00 0.60 O ATOM 272 CB HIS A 20 -9.793 3.390 7.035 1.00 0.69 C ATOM 273 CG HIS A 20 -11.247 3.169 6.689 1.00 0.81 C ATOM 274 ND1 HIS A 20 -11.847 3.292 5.467 1.00 1.36 N flip ATOM 275 CD2 HIS A 20 -12.236 2.857 7.596 1.00 0.71 C flip ATOM 276 CE1 HIS A 20 -13.212 3.036 5.620 1.00 1.41 C flip ATOM 277 NE2 HIS A 20 -13.398 2.781 6.924 1.00 0.95 N flip ATOM 0 H HIS A 20 -8.639 5.275 5.825 1.00 0.56 H new ATOM 0 HA HIS A 20 -7.981 2.562 6.476 1.00 0.61 H new ATOM 0 HB2 HIS A 20 -9.553 2.726 7.865 1.00 0.69 H new ATOM 0 HB3 HIS A 20 -9.699 4.411 7.405 1.00 0.69 H new ATOM 0 HD2 HIS A 20 -12.102 2.701 8.656 1.00 0.71 H new ATOM 0 HE1 HIS A 20 -13.965 3.042 4.846 1.00 1.41 H new ATOM 0 HE2 HIS A 20 -14.299 2.560 7.348 1.00 0.95 H new ATOM 285 N LYS A 21 -9.271 2.966 3.550 1.00 0.59 N ATOM 286 CA LYS A 21 -9.550 2.234 2.323 1.00 0.66 C ATOM 287 C LYS A 21 -8.356 1.347 2.016 1.00 0.62 C ATOM 288 O LYS A 21 -8.493 0.139 1.832 1.00 0.82 O ATOM 289 CB LYS A 21 -9.847 3.175 1.139 1.00 0.84 C ATOM 290 CG LYS A 21 -10.819 2.551 0.128 1.00 1.18 C ATOM 291 CD LYS A 21 -10.652 3.208 -1.251 1.00 1.88 C ATOM 292 CE LYS A 21 -11.886 3.001 -2.142 1.00 1.93 C ATOM 293 NZ LYS A 21 -11.570 3.087 -3.586 1.00 3.38 N ATOM 0 H LYS A 21 -9.252 3.979 3.434 1.00 0.59 H new ATOM 0 HA LYS A 21 -10.446 1.630 2.468 1.00 0.66 H new ATOM 0 HB2 LYS A 21 -10.267 4.108 1.516 1.00 0.84 H new ATOM 0 HB3 LYS A 21 -8.914 3.427 0.635 1.00 0.84 H new ATOM 0 HG2 LYS A 21 -10.636 1.479 0.052 1.00 1.18 H new ATOM 0 HG3 LYS A 21 -11.845 2.675 0.475 1.00 1.18 H new ATOM 0 HD2 LYS A 21 -10.472 4.275 -1.124 1.00 1.88 H new ATOM 0 HD3 LYS A 21 -9.774 2.793 -1.746 1.00 1.88 H new ATOM 0 HE2 LYS A 21 -12.324 2.026 -1.928 1.00 1.93 H new ATOM 0 HE3 LYS A 21 -12.638 3.750 -1.894 1.00 1.93 H new ATOM 0 HZ1 LYS A 21 -12.256 3.712 -4.055 1.00 3.38 H new ATOM 0 HZ2 LYS A 21 -10.611 3.471 -3.709 1.00 3.38 H new ATOM 0 HZ3 LYS A 21 -11.620 2.138 -4.009 1.00 3.38 H new ATOM 307 N ILE A 22 -7.176 1.961 1.968 1.00 0.49 N ATOM 308 CA ILE A 22 -5.962 1.263 1.597 1.00 0.45 C ATOM 309 C ILE A 22 -5.661 0.254 2.698 1.00 0.43 C ATOM 310 O ILE A 22 -5.607 -0.946 2.439 1.00 0.51 O ATOM 311 CB ILE A 22 -4.821 2.261 1.326 1.00 0.47 C ATOM 312 CG1 ILE A 22 -5.284 3.310 0.310 1.00 0.36 C ATOM 313 CG2 ILE A 22 -3.593 1.529 0.795 1.00 0.59 C ATOM 314 CD1 ILE A 22 -4.191 4.213 -0.255 1.00 0.82 C ATOM 0 H ILE A 22 -7.042 2.949 2.185 1.00 0.49 H new ATOM 0 HA ILE A 22 -6.079 0.718 0.661 1.00 0.45 H new ATOM 0 HB ILE A 22 -4.555 2.757 2.260 1.00 0.47 H new ATOM 0 HG12 ILE A 22 -5.770 2.796 -0.519 1.00 0.36 H new ATOM 0 HG13 ILE A 22 -6.040 3.938 0.782 1.00 0.36 H new ATOM 0 HG21 ILE A 22 -2.794 2.247 0.608 1.00 0.59 H new ATOM 0 HG22 ILE A 22 -3.259 0.798 1.531 1.00 0.59 H new ATOM 0 HG23 ILE A 22 -3.847 1.019 -0.134 1.00 0.59 H new ATOM 0 HD11 ILE A 22 -4.630 4.916 -0.963 1.00 0.82 H new ATOM 0 HD12 ILE A 22 -3.718 4.764 0.558 1.00 0.82 H new ATOM 0 HD13 ILE A 22 -3.444 3.605 -0.764 1.00 0.82 H new ATOM 326 N GLU A 23 -5.545 0.734 3.938 1.00 0.38 N ATOM 327 CA GLU A 23 -5.312 -0.094 5.112 1.00 0.38 C ATOM 328 C GLU A 23 -6.229 -1.322 5.151 1.00 0.37 C ATOM 329 O GLU A 23 -5.756 -2.460 5.177 1.00 0.47 O ATOM 330 CB GLU A 23 -5.476 0.789 6.359 1.00 0.49 C ATOM 331 CG GLU A 23 -4.106 1.233 6.885 1.00 1.16 C ATOM 332 CD GLU A 23 -4.191 2.497 7.724 1.00 2.49 C ATOM 333 OE1 GLU A 23 -5.218 2.658 8.416 1.00 3.31 O ATOM 334 OE2 GLU A 23 -3.221 3.281 7.635 1.00 3.54 O ATOM 0 H GLU A 23 -5.612 1.729 4.153 1.00 0.38 H new ATOM 0 HA GLU A 23 -4.299 -0.495 5.077 1.00 0.38 H new ATOM 0 HB2 GLU A 23 -6.080 1.663 6.116 1.00 0.49 H new ATOM 0 HB3 GLU A 23 -6.009 0.239 7.134 1.00 0.49 H new ATOM 0 HG2 GLU A 23 -3.672 0.432 7.483 1.00 1.16 H new ATOM 0 HG3 GLU A 23 -3.434 1.403 6.044 1.00 1.16 H new ATOM 341 N SER A 24 -7.541 -1.086 5.137 1.00 0.39 N ATOM 342 CA SER A 24 -8.543 -2.140 5.247 1.00 0.45 C ATOM 343 C SER A 24 -8.503 -3.045 4.016 1.00 0.44 C ATOM 344 O SER A 24 -8.791 -4.235 4.106 1.00 0.63 O ATOM 345 CB SER A 24 -9.937 -1.532 5.456 1.00 0.54 C ATOM 346 OG SER A 24 -10.876 -2.522 5.831 1.00 1.32 O ATOM 0 H SER A 24 -7.938 -0.151 5.048 1.00 0.39 H new ATOM 0 HA SER A 24 -8.315 -2.755 6.117 1.00 0.45 H new ATOM 0 HB2 SER A 24 -9.889 -0.762 6.226 1.00 0.54 H new ATOM 0 HB3 SER A 24 -10.265 -1.045 4.538 1.00 0.54 H new ATOM 0 HG SER A 24 -11.755 -2.108 5.959 1.00 1.32 H new ATOM 352 N SER A 25 -8.143 -2.498 2.850 1.00 0.51 N ATOM 353 CA SER A 25 -7.986 -3.316 1.665 1.00 0.66 C ATOM 354 C SER A 25 -6.805 -4.267 1.858 1.00 0.71 C ATOM 355 O SER A 25 -6.968 -5.471 1.691 1.00 1.11 O ATOM 356 CB SER A 25 -7.858 -2.439 0.417 1.00 0.97 C ATOM 357 OG SER A 25 -7.851 -3.248 -0.745 1.00 1.34 O ATOM 0 H SER A 25 -7.959 -1.504 2.712 1.00 0.51 H new ATOM 0 HA SER A 25 -8.875 -3.928 1.512 1.00 0.66 H new ATOM 0 HB2 SER A 25 -8.686 -1.732 0.373 1.00 0.97 H new ATOM 0 HB3 SER A 25 -6.941 -1.852 0.467 1.00 0.97 H new ATOM 0 HG SER A 25 -7.013 -3.111 -1.234 1.00 1.34 H new ATOM 363 N LEU A 26 -5.620 -3.759 2.215 1.00 0.63 N ATOM 364 CA LEU A 26 -4.427 -4.595 2.312 1.00 0.70 C ATOM 365 C LEU A 26 -4.649 -5.811 3.195 1.00 0.57 C ATOM 366 O LEU A 26 -4.266 -6.918 2.822 1.00 0.64 O ATOM 367 CB LEU A 26 -3.216 -3.822 2.846 1.00 0.96 C ATOM 368 CG LEU A 26 -2.356 -3.152 1.772 1.00 1.34 C ATOM 369 CD1 LEU A 26 -2.008 -4.055 0.581 1.00 1.85 C ATOM 370 CD2 LEU A 26 -2.991 -1.856 1.295 1.00 2.22 C ATOM 0 H LEU A 26 -5.466 -2.776 2.440 1.00 0.63 H new ATOM 0 HA LEU A 26 -4.222 -4.922 1.292 1.00 0.70 H new ATOM 0 HB2 LEU A 26 -3.568 -3.057 3.539 1.00 0.96 H new ATOM 0 HB3 LEU A 26 -2.590 -4.506 3.418 1.00 0.96 H new ATOM 0 HG LEU A 26 -1.407 -2.933 2.261 1.00 1.34 H new ATOM 0 HD11 LEU A 26 -1.397 -3.499 -0.131 1.00 1.85 H new ATOM 0 HD12 LEU A 26 -1.454 -4.925 0.934 1.00 1.85 H new ATOM 0 HD13 LEU A 26 -2.926 -4.383 0.093 1.00 1.85 H new ATOM 0 HD21 LEU A 26 -2.359 -1.401 0.532 1.00 2.22 H new ATOM 0 HD22 LEU A 26 -3.974 -2.066 0.874 1.00 2.22 H new ATOM 0 HD23 LEU A 26 -3.095 -1.171 2.136 1.00 2.22 H new ATOM 382 N THR A 27 -5.273 -5.620 4.356 1.00 0.51 N ATOM 383 CA THR A 27 -5.467 -6.699 5.310 1.00 0.61 C ATOM 384 C THR A 27 -6.340 -7.838 4.750 1.00 0.73 C ATOM 385 O THR A 27 -6.414 -8.903 5.360 1.00 1.65 O ATOM 386 CB THR A 27 -5.994 -6.103 6.621 1.00 0.76 C ATOM 387 OG1 THR A 27 -7.079 -5.250 6.336 1.00 0.83 O ATOM 388 CG2 THR A 27 -4.895 -5.269 7.291 1.00 0.85 C ATOM 0 H THR A 27 -5.653 -4.722 4.655 1.00 0.51 H new ATOM 0 HA THR A 27 -4.511 -7.181 5.513 1.00 0.61 H new ATOM 0 HB THR A 27 -6.303 -6.913 7.282 1.00 0.76 H new ATOM 0 HG1 THR A 27 -7.422 -4.867 7.170 1.00 0.83 H new ATOM 0 HG21 THR A 27 -5.274 -4.848 8.222 1.00 0.85 H new ATOM 0 HG22 THR A 27 -4.035 -5.904 7.504 1.00 0.85 H new ATOM 0 HG23 THR A 27 -4.593 -4.462 6.624 1.00 0.85 H new ATOM 396 N LYS A 28 -6.971 -7.656 3.581 1.00 0.98 N ATOM 397 CA LYS A 28 -7.667 -8.716 2.863 1.00 1.03 C ATOM 398 C LYS A 28 -6.675 -9.714 2.252 1.00 0.75 C ATOM 399 O LYS A 28 -6.977 -10.903 2.159 1.00 0.93 O ATOM 400 CB LYS A 28 -8.513 -8.117 1.727 1.00 1.40 C ATOM 401 CG LYS A 28 -9.475 -7.001 2.167 1.00 1.35 C ATOM 402 CD LYS A 28 -10.773 -7.507 2.804 1.00 2.67 C ATOM 403 CE LYS A 28 -11.731 -8.067 1.741 1.00 3.16 C ATOM 404 NZ LYS A 28 -13.028 -8.467 2.324 1.00 5.02 N ATOM 0 H LYS A 28 -7.009 -6.754 3.107 1.00 0.98 H new ATOM 0 HA LYS A 28 -8.305 -9.234 3.579 1.00 1.03 H new ATOM 0 HB2 LYS A 28 -7.844 -7.722 0.963 1.00 1.40 H new ATOM 0 HB3 LYS A 28 -9.092 -8.915 1.262 1.00 1.40 H new ATOM 0 HG2 LYS A 28 -8.962 -6.354 2.879 1.00 1.35 H new ATOM 0 HG3 LYS A 28 -9.723 -6.388 1.301 1.00 1.35 H new ATOM 0 HD2 LYS A 28 -10.544 -8.282 3.536 1.00 2.67 H new ATOM 0 HD3 LYS A 28 -11.258 -6.693 3.343 1.00 2.67 H new ATOM 0 HE2 LYS A 28 -11.896 -7.315 0.969 1.00 3.16 H new ATOM 0 HE3 LYS A 28 -11.271 -8.927 1.255 1.00 3.16 H new ATOM 0 HZ1 LYS A 28 -13.645 -8.839 1.575 1.00 5.02 H new ATOM 0 HZ2 LYS A 28 -12.873 -9.203 3.043 1.00 5.02 H new ATOM 0 HZ3 LYS A 28 -13.480 -7.641 2.766 1.00 5.02 H new ATOM 418 N HIS A 29 -5.529 -9.231 1.758 1.00 0.62 N ATOM 419 CA HIS A 29 -4.644 -10.036 0.928 1.00 0.79 C ATOM 420 C HIS A 29 -3.903 -11.043 1.808 1.00 0.93 C ATOM 421 O HIS A 29 -3.181 -10.657 2.725 1.00 1.84 O ATOM 422 CB HIS A 29 -3.648 -9.160 0.158 1.00 0.98 C ATOM 423 CG HIS A 29 -4.251 -8.176 -0.820 1.00 0.72 C ATOM 424 ND1 HIS A 29 -3.984 -8.100 -2.170 1.00 1.32 N ATOM 425 CD2 HIS A 29 -5.015 -7.087 -0.503 1.00 0.74 C ATOM 426 CE1 HIS A 29 -4.593 -7.003 -2.646 1.00 1.77 C ATOM 427 NE2 HIS A 29 -5.234 -6.345 -1.665 1.00 1.47 N ATOM 0 H HIS A 29 -5.197 -8.281 1.923 1.00 0.62 H new ATOM 0 HA HIS A 29 -5.246 -10.568 0.192 1.00 0.79 H new ATOM 0 HB2 HIS A 29 -3.049 -8.604 0.880 1.00 0.98 H new ATOM 0 HB3 HIS A 29 -2.966 -9.813 -0.387 1.00 0.98 H new ATOM 0 HD1 HIS A 29 -3.424 -8.759 -2.710 1.00 1.32 H new ATOM 0 HD2 HIS A 29 -5.387 -6.842 0.481 1.00 0.74 H new ATOM 0 HE1 HIS A 29 -4.571 -6.691 -3.680 1.00 1.77 H new ATOM 435 N ARG A 30 -4.059 -12.341 1.531 1.00 1.09 N ATOM 436 CA ARG A 30 -3.476 -13.405 2.340 1.00 1.25 C ATOM 437 C ARG A 30 -1.979 -13.583 2.049 1.00 1.45 C ATOM 438 O ARG A 30 -1.548 -14.646 1.613 1.00 2.93 O ATOM 439 CB ARG A 30 -4.259 -14.708 2.127 1.00 1.82 C ATOM 440 CG ARG A 30 -5.725 -14.560 2.565 1.00 2.90 C ATOM 441 CD ARG A 30 -6.471 -15.895 2.461 1.00 3.56 C ATOM 442 NE ARG A 30 -5.912 -16.894 3.387 1.00 3.87 N ATOM 443 CZ ARG A 30 -6.268 -18.188 3.435 1.00 4.67 C ATOM 444 NH1 ARG A 30 -7.226 -18.644 2.622 1.00 5.25 N ATOM 445 NH2 ARG A 30 -5.664 -19.016 4.296 1.00 5.48 N ATOM 0 H ARG A 30 -4.597 -12.681 0.734 1.00 1.09 H new ATOM 0 HA ARG A 30 -3.553 -13.125 3.391 1.00 1.25 H new ATOM 0 HB2 ARG A 30 -4.219 -14.990 1.075 1.00 1.82 H new ATOM 0 HB3 ARG A 30 -3.789 -15.513 2.691 1.00 1.82 H new ATOM 0 HG2 ARG A 30 -5.766 -14.196 3.592 1.00 2.90 H new ATOM 0 HG3 ARG A 30 -6.220 -13.814 1.943 1.00 2.90 H new ATOM 0 HD2 ARG A 30 -7.527 -15.742 2.682 1.00 3.56 H new ATOM 0 HD3 ARG A 30 -6.410 -16.269 1.439 1.00 3.56 H new ATOM 0 HE ARG A 30 -5.198 -16.578 4.044 1.00 3.87 H new ATOM 0 HH11 ARG A 30 -7.684 -18.010 1.968 1.00 5.25 H new ATOM 0 HH12 ARG A 30 -7.499 -19.626 2.656 1.00 5.25 H new ATOM 0 HH21 ARG A 30 -4.934 -18.664 4.915 1.00 5.48 H new ATOM 0 HH22 ARG A 30 -5.934 -19.999 4.333 1.00 5.48 H new ATOM 459 N GLY A 31 -1.194 -12.542 2.326 1.00 0.67 N ATOM 460 CA GLY A 31 0.260 -12.549 2.238 1.00 0.80 C ATOM 461 C GLY A 31 0.786 -11.151 2.548 1.00 0.78 C ATOM 462 O GLY A 31 1.642 -10.628 1.835 1.00 1.75 O ATOM 0 H GLY A 31 -1.569 -11.642 2.628 1.00 0.67 H new ATOM 0 HA2 GLY A 31 0.676 -13.271 2.940 1.00 0.80 H new ATOM 0 HA3 GLY A 31 0.575 -12.857 1.241 1.00 0.80 H new ATOM 466 N ILE A 32 0.209 -10.522 3.578 1.00 1.04 N ATOM 467 CA ILE A 32 0.510 -9.193 4.050 1.00 0.79 C ATOM 468 C ILE A 32 0.819 -9.381 5.542 1.00 1.04 C ATOM 469 O ILE A 32 0.181 -10.211 6.192 1.00 1.58 O ATOM 470 CB ILE A 32 -0.696 -8.289 3.745 1.00 0.98 C ATOM 471 CG1 ILE A 32 -0.373 -6.787 3.662 1.00 0.83 C ATOM 472 CG2 ILE A 32 -1.801 -8.559 4.758 1.00 1.99 C ATOM 473 CD1 ILE A 32 -0.500 -6.082 5.006 1.00 1.59 C ATOM 0 H ILE A 32 -0.525 -10.967 4.129 1.00 1.04 H new ATOM 0 HA ILE A 32 1.359 -8.704 3.572 1.00 0.79 H new ATOM 0 HB ILE A 32 -1.029 -8.551 2.741 1.00 0.98 H new ATOM 0 HG12 ILE A 32 0.641 -6.658 3.284 1.00 0.83 H new ATOM 0 HG13 ILE A 32 -1.044 -6.315 2.944 1.00 0.83 H new ATOM 0 HG21 ILE A 32 -2.656 -7.919 4.543 1.00 1.99 H new ATOM 0 HG22 ILE A 32 -2.105 -9.604 4.695 1.00 1.99 H new ATOM 0 HG23 ILE A 32 -1.433 -8.348 5.762 1.00 1.99 H new ATOM 0 HD11 ILE A 32 -0.260 -5.025 4.887 1.00 1.59 H new ATOM 0 HD12 ILE A 32 -1.521 -6.183 5.375 1.00 1.59 H new ATOM 0 HD13 ILE A 32 0.190 -6.532 5.720 1.00 1.59 H new ATOM 485 N LEU A 33 1.785 -8.644 6.085 1.00 0.94 N ATOM 486 CA LEU A 33 2.198 -8.718 7.475 1.00 1.38 C ATOM 487 C LEU A 33 1.583 -7.562 8.270 1.00 1.23 C ATOM 488 O LEU A 33 1.079 -7.771 9.370 1.00 1.51 O ATOM 489 CB LEU A 33 3.731 -8.711 7.511 1.00 1.78 C ATOM 490 CG LEU A 33 4.331 -8.716 8.922 1.00 2.19 C ATOM 491 CD1 LEU A 33 3.891 -9.952 9.715 1.00 2.21 C ATOM 492 CD2 LEU A 33 5.858 -8.704 8.793 1.00 3.46 C ATOM 0 H LEU A 33 2.316 -7.958 5.548 1.00 0.94 H new ATOM 0 HA LEU A 33 1.843 -9.635 7.945 1.00 1.38 H new ATOM 0 HB2 LEU A 33 4.099 -9.583 6.970 1.00 1.78 H new ATOM 0 HB3 LEU A 33 4.091 -7.830 6.979 1.00 1.78 H new ATOM 0 HG LEU A 33 3.979 -7.836 9.461 1.00 2.19 H new ATOM 0 HD11 LEU A 33 4.335 -9.923 10.710 1.00 2.21 H new ATOM 0 HD12 LEU A 33 2.805 -9.960 9.802 1.00 2.21 H new ATOM 0 HD13 LEU A 33 4.220 -10.853 9.197 1.00 2.21 H new ATOM 0 HD21 LEU A 33 6.307 -8.707 9.786 1.00 3.46 H new ATOM 0 HD22 LEU A 33 6.184 -9.588 8.245 1.00 3.46 H new ATOM 0 HD23 LEU A 33 6.171 -7.808 8.256 1.00 3.46 H new ATOM 504 N TYR A 34 1.631 -6.338 7.730 1.00 0.88 N ATOM 505 CA TYR A 34 1.101 -5.148 8.388 1.00 0.76 C ATOM 506 C TYR A 34 0.916 -4.051 7.342 1.00 0.59 C ATOM 507 O TYR A 34 1.653 -4.028 6.365 1.00 0.63 O ATOM 508 CB TYR A 34 2.083 -4.694 9.477 1.00 0.87 C ATOM 509 CG TYR A 34 1.700 -3.404 10.175 1.00 0.87 C ATOM 510 CD1 TYR A 34 0.561 -3.361 10.999 1.00 1.78 C ATOM 511 CD2 TYR A 34 2.451 -2.234 9.955 1.00 1.84 C ATOM 512 CE1 TYR A 34 0.171 -2.150 11.598 1.00 1.87 C ATOM 513 CE2 TYR A 34 2.080 -1.033 10.579 1.00 1.81 C ATOM 514 CZ TYR A 34 0.926 -0.984 11.378 1.00 0.98 C ATOM 515 OH TYR A 34 0.557 0.197 11.950 1.00 1.13 O ATOM 0 H TYR A 34 2.043 -6.149 6.816 1.00 0.88 H new ATOM 0 HA TYR A 34 0.139 -5.365 8.853 1.00 0.76 H new ATOM 0 HB2 TYR A 34 2.168 -5.484 10.223 1.00 0.87 H new ATOM 0 HB3 TYR A 34 3.069 -4.571 9.030 1.00 0.87 H new ATOM 0 HD1 TYR A 34 -0.014 -4.258 11.172 1.00 1.78 H new ATOM 0 HD2 TYR A 34 3.313 -2.261 9.305 1.00 1.84 H new ATOM 0 HE1 TYR A 34 -0.707 -2.115 12.226 1.00 1.87 H new ATOM 0 HE2 TYR A 34 2.682 -0.146 10.445 1.00 1.81 H new ATOM 0 HH TYR A 34 1.192 0.898 11.692 1.00 1.13 H new ATOM 525 N CYS A 35 -0.036 -3.138 7.532 1.00 0.68 N ATOM 526 CA CYS A 35 -0.219 -1.963 6.683 1.00 0.63 C ATOM 527 C CYS A 35 -0.361 -0.735 7.565 1.00 0.70 C ATOM 528 O CYS A 35 -0.713 -0.840 8.739 1.00 0.93 O ATOM 529 CB CYS A 35 -1.454 -2.074 5.783 1.00 0.65 C ATOM 530 SG CYS A 35 -2.925 -2.308 6.796 1.00 2.98 S ATOM 0 H CYS A 35 -0.713 -3.196 8.293 1.00 0.68 H new ATOM 0 HA CYS A 35 0.654 -1.886 6.035 1.00 0.63 H new ATOM 0 HB2 CYS A 35 -1.557 -1.173 5.178 1.00 0.65 H new ATOM 0 HB3 CYS A 35 -1.339 -2.910 5.093 1.00 0.65 H new ATOM 0 HG CYS A 35 -3.969 -2.412 6.028 1.00 2.98 H new ATOM 536 N SER A 36 -0.060 0.421 6.977 1.00 0.69 N ATOM 537 CA SER A 36 -0.193 1.734 7.587 1.00 0.67 C ATOM 538 C SER A 36 0.041 2.759 6.483 1.00 0.52 C ATOM 539 O SER A 36 1.093 2.714 5.839 1.00 0.55 O ATOM 540 CB SER A 36 0.830 1.890 8.718 1.00 0.82 C ATOM 541 OG SER A 36 0.803 3.194 9.264 1.00 1.75 O ATOM 0 H SER A 36 0.298 0.466 6.023 1.00 0.69 H new ATOM 0 HA SER A 36 -1.181 1.874 8.026 1.00 0.67 H new ATOM 0 HB2 SER A 36 0.622 1.162 9.502 1.00 0.82 H new ATOM 0 HB3 SER A 36 1.829 1.673 8.339 1.00 0.82 H new ATOM 0 HG SER A 36 1.465 3.261 9.984 1.00 1.75 H new ATOM 547 N VAL A 37 -0.924 3.641 6.210 1.00 0.59 N ATOM 548 CA VAL A 37 -0.767 4.671 5.200 1.00 0.50 C ATOM 549 C VAL A 37 -0.940 6.064 5.831 1.00 0.58 C ATOM 550 O VAL A 37 -1.881 6.300 6.584 1.00 0.94 O ATOM 551 CB VAL A 37 -1.693 4.358 4.013 1.00 0.61 C ATOM 552 CG1 VAL A 37 -1.637 2.883 3.587 1.00 1.66 C ATOM 553 CG2 VAL A 37 -3.159 4.604 4.334 1.00 1.53 C ATOM 0 H VAL A 37 -1.827 3.655 6.683 1.00 0.59 H new ATOM 0 HA VAL A 37 0.243 4.681 4.790 1.00 0.50 H new ATOM 0 HB VAL A 37 -1.331 5.020 3.227 1.00 0.61 H new ATOM 0 HG11 VAL A 37 -2.311 2.721 2.745 1.00 1.66 H new ATOM 0 HG12 VAL A 37 -0.619 2.628 3.291 1.00 1.66 H new ATOM 0 HG13 VAL A 37 -1.941 2.251 4.422 1.00 1.66 H new ATOM 0 HG21 VAL A 37 -3.767 4.367 3.461 1.00 1.53 H new ATOM 0 HG22 VAL A 37 -3.460 3.971 5.169 1.00 1.53 H new ATOM 0 HG23 VAL A 37 -3.302 5.651 4.603 1.00 1.53 H new ATOM 563 N ALA A 38 -0.006 6.986 5.569 1.00 0.68 N ATOM 564 CA ALA A 38 0.048 8.303 6.193 1.00 0.86 C ATOM 565 C ALA A 38 -0.264 9.412 5.191 1.00 0.74 C ATOM 566 O ALA A 38 0.286 9.450 4.087 1.00 0.59 O ATOM 567 CB ALA A 38 1.417 8.543 6.820 1.00 1.04 C ATOM 0 H ALA A 38 0.748 6.828 4.901 1.00 0.68 H new ATOM 0 HA ALA A 38 -0.713 8.325 6.973 1.00 0.86 H new ATOM 0 HB1 ALA A 38 1.438 9.531 7.281 1.00 1.04 H new ATOM 0 HB2 ALA A 38 1.608 7.784 7.579 1.00 1.04 H new ATOM 0 HB3 ALA A 38 2.185 8.486 6.049 1.00 1.04 H new ATOM 573 N LEU A 39 -1.126 10.336 5.621 1.00 0.94 N ATOM 574 CA LEU A 39 -1.627 11.452 4.830 1.00 1.02 C ATOM 575 C LEU A 39 -0.505 12.439 4.520 1.00 0.86 C ATOM 576 O LEU A 39 -0.246 12.727 3.355 1.00 0.77 O ATOM 577 CB LEU A 39 -2.770 12.163 5.574 1.00 1.61 C ATOM 578 CG LEU A 39 -4.069 11.342 5.629 1.00 1.14 C ATOM 579 CD1 LEU A 39 -5.015 11.938 6.676 1.00 2.55 C ATOM 580 CD2 LEU A 39 -4.782 11.341 4.271 1.00 1.94 C ATOM 0 H LEU A 39 -1.506 10.323 6.567 1.00 0.94 H new ATOM 0 HA LEU A 39 -2.011 11.060 3.888 1.00 1.02 H new ATOM 0 HB2 LEU A 39 -2.447 12.387 6.591 1.00 1.61 H new ATOM 0 HB3 LEU A 39 -2.972 13.117 5.087 1.00 1.61 H new ATOM 0 HG LEU A 39 -3.805 10.318 5.893 1.00 1.14 H new ATOM 0 HD11 LEU A 39 -5.934 11.353 6.711 1.00 2.55 H new ATOM 0 HD12 LEU A 39 -4.534 11.918 7.654 1.00 2.55 H new ATOM 0 HD13 LEU A 39 -5.251 12.968 6.409 1.00 2.55 H new ATOM 0 HD21 LEU A 39 -5.697 10.753 4.341 1.00 1.94 H new ATOM 0 HD22 LEU A 39 -5.029 12.364 3.989 1.00 1.94 H new ATOM 0 HD23 LEU A 39 -4.127 10.905 3.517 1.00 1.94 H new ATOM 592 N ALA A 40 0.168 12.951 5.555 1.00 0.98 N ATOM 593 CA ALA A 40 1.187 13.988 5.412 1.00 1.04 C ATOM 594 C ALA A 40 2.279 13.547 4.436 1.00 0.92 C ATOM 595 O ALA A 40 2.651 14.278 3.523 1.00 1.04 O ATOM 596 CB ALA A 40 1.777 14.321 6.785 1.00 1.33 C ATOM 0 H ALA A 40 0.018 12.654 6.519 1.00 0.98 H new ATOM 0 HA ALA A 40 0.725 14.886 5.002 1.00 1.04 H new ATOM 0 HB1 ALA A 40 2.537 15.095 6.676 1.00 1.33 H new ATOM 0 HB2 ALA A 40 0.986 14.679 7.444 1.00 1.33 H new ATOM 0 HB3 ALA A 40 2.229 13.426 7.214 1.00 1.33 H new ATOM 602 N THR A 41 2.768 12.323 4.621 1.00 0.85 N ATOM 603 CA THR A 41 3.772 11.694 3.787 1.00 0.78 C ATOM 604 C THR A 41 3.197 11.309 2.417 1.00 0.69 C ATOM 605 O THR A 41 3.946 10.996 1.495 1.00 0.81 O ATOM 606 CB THR A 41 4.261 10.461 4.560 1.00 0.84 C ATOM 607 OG1 THR A 41 4.142 10.677 5.958 1.00 1.71 O ATOM 608 CG2 THR A 41 5.716 10.127 4.225 1.00 1.97 C ATOM 0 H THR A 41 2.459 11.725 5.387 1.00 0.85 H new ATOM 0 HA THR A 41 4.597 12.376 3.582 1.00 0.78 H new ATOM 0 HB THR A 41 3.635 9.620 4.261 1.00 0.84 H new ATOM 0 HG1 THR A 41 4.455 9.883 6.440 1.00 1.71 H new ATOM 0 HG21 THR A 41 6.027 9.249 4.791 1.00 1.97 H new ATOM 0 HG22 THR A 41 5.806 9.922 3.158 1.00 1.97 H new ATOM 0 HG23 THR A 41 6.353 10.972 4.487 1.00 1.97 H new ATOM 616 N ASN A 42 1.863 11.290 2.299 1.00 0.63 N ATOM 617 CA ASN A 42 1.111 10.778 1.168 1.00 0.65 C ATOM 618 C ASN A 42 1.619 9.391 0.773 1.00 0.62 C ATOM 619 O ASN A 42 1.784 9.087 -0.408 1.00 0.78 O ATOM 620 CB ASN A 42 1.131 11.798 0.020 1.00 0.86 C ATOM 621 CG ASN A 42 0.218 11.367 -1.118 1.00 1.75 C ATOM 622 OD1 ASN A 42 0.644 11.291 -2.269 1.00 2.45 O ATOM 623 ND2 ASN A 42 -1.040 11.077 -0.809 1.00 2.96 N ATOM 0 H ASN A 42 1.256 11.653 3.034 1.00 0.63 H new ATOM 0 HA ASN A 42 0.065 10.645 1.443 1.00 0.65 H new ATOM 0 HB2 ASN A 42 0.817 12.773 0.392 1.00 0.86 H new ATOM 0 HB3 ASN A 42 2.150 11.911 -0.351 1.00 0.86 H new ATOM 0 HD21 ASN A 42 -1.689 10.780 -1.538 1.00 2.96 H new ATOM 0 HD22 ASN A 42 -1.358 11.152 0.157 1.00 2.96 H new ATOM 630 N LYS A 43 1.880 8.562 1.788 1.00 0.57 N ATOM 631 CA LYS A 43 2.638 7.327 1.658 1.00 0.61 C ATOM 632 C LYS A 43 1.807 6.162 2.165 1.00 0.55 C ATOM 633 O LYS A 43 1.270 6.237 3.264 1.00 0.63 O ATOM 634 CB LYS A 43 3.954 7.442 2.438 1.00 0.77 C ATOM 635 CG LYS A 43 4.782 6.153 2.402 1.00 1.01 C ATOM 636 CD LYS A 43 6.164 6.346 3.045 1.00 0.92 C ATOM 637 CE LYS A 43 7.157 7.047 2.102 1.00 1.12 C ATOM 638 NZ LYS A 43 8.562 6.713 2.419 1.00 1.40 N ATOM 0 H LYS A 43 1.561 8.740 2.740 1.00 0.57 H new ATOM 0 HA LYS A 43 2.875 7.151 0.609 1.00 0.61 H new ATOM 0 HB2 LYS A 43 4.545 8.259 2.025 1.00 0.77 H new ATOM 0 HB3 LYS A 43 3.735 7.699 3.474 1.00 0.77 H new ATOM 0 HG2 LYS A 43 4.245 5.361 2.924 1.00 1.01 H new ATOM 0 HG3 LYS A 43 4.904 5.828 1.369 1.00 1.01 H new ATOM 0 HD2 LYS A 43 6.058 6.932 3.958 1.00 0.92 H new ATOM 0 HD3 LYS A 43 6.566 5.375 3.335 1.00 0.92 H new ATOM 0 HE2 LYS A 43 6.941 6.761 1.073 1.00 1.12 H new ATOM 0 HE3 LYS A 43 7.018 8.126 2.169 1.00 1.12 H new ATOM 0 HZ1 LYS A 43 9.156 6.880 1.582 1.00 1.40 H new ATOM 0 HZ2 LYS A 43 8.893 7.311 3.203 1.00 1.40 H new ATOM 0 HZ3 LYS A 43 8.627 5.713 2.695 1.00 1.40 H new ATOM 652 N ALA A 44 1.755 5.074 1.398 1.00 0.63 N ATOM 653 CA ALA A 44 1.261 3.786 1.841 1.00 0.69 C ATOM 654 C ALA A 44 2.450 2.883 2.124 1.00 0.65 C ATOM 655 O ALA A 44 3.221 2.592 1.212 1.00 0.63 O ATOM 656 CB ALA A 44 0.332 3.191 0.779 1.00 0.85 C ATOM 0 H ALA A 44 2.065 5.072 0.426 1.00 0.63 H new ATOM 0 HA ALA A 44 0.679 3.892 2.757 1.00 0.69 H new ATOM 0 HB1 ALA A 44 -0.036 2.223 1.119 1.00 0.85 H new ATOM 0 HB2 ALA A 44 -0.511 3.862 0.616 1.00 0.85 H new ATOM 0 HB3 ALA A 44 0.881 3.064 -0.154 1.00 0.85 H new ATOM 662 N HIS A 45 2.597 2.461 3.383 1.00 0.73 N ATOM 663 CA HIS A 45 3.590 1.501 3.827 1.00 0.78 C ATOM 664 C HIS A 45 2.859 0.170 3.956 1.00 0.69 C ATOM 665 O HIS A 45 1.858 0.074 4.674 1.00 0.65 O ATOM 666 CB HIS A 45 4.254 2.043 5.114 1.00 1.19 C ATOM 667 CG HIS A 45 4.462 1.162 6.332 1.00 0.79 C ATOM 668 ND1 HIS A 45 4.754 1.666 7.579 1.00 0.95 N ATOM 669 CD2 HIS A 45 4.489 -0.206 6.437 1.00 0.73 C ATOM 670 CE1 HIS A 45 4.939 0.631 8.412 1.00 0.99 C ATOM 671 NE2 HIS A 45 4.787 -0.534 7.764 1.00 0.86 N ATOM 0 H HIS A 45 2.003 2.795 4.142 1.00 0.73 H new ATOM 0 HA HIS A 45 4.419 1.344 3.137 1.00 0.78 H new ATOM 0 HB2 HIS A 45 5.234 2.424 4.828 1.00 1.19 H new ATOM 0 HB3 HIS A 45 3.662 2.898 5.439 1.00 1.19 H new ATOM 0 HD1 HIS A 45 4.818 2.653 7.826 1.00 0.95 H new ATOM 0 HD2 HIS A 45 4.311 -0.907 5.635 1.00 0.73 H new ATOM 0 HE1 HIS A 45 5.178 0.723 9.461 1.00 0.99 H new ATOM 679 N ILE A 46 3.361 -0.855 3.258 1.00 0.69 N ATOM 680 CA ILE A 46 2.901 -2.223 3.414 1.00 0.61 C ATOM 681 C ILE A 46 4.100 -3.081 3.812 1.00 0.64 C ATOM 682 O ILE A 46 5.159 -2.987 3.197 1.00 0.79 O ATOM 683 CB ILE A 46 2.241 -2.745 2.123 1.00 0.68 C ATOM 684 CG1 ILE A 46 1.097 -1.868 1.597 1.00 0.75 C ATOM 685 CG2 ILE A 46 1.589 -4.108 2.399 1.00 0.91 C ATOM 686 CD1 ILE A 46 1.505 -0.559 0.922 1.00 1.22 C ATOM 0 H ILE A 46 4.103 -0.749 2.566 1.00 0.69 H new ATOM 0 HA ILE A 46 2.137 -2.270 4.190 1.00 0.61 H new ATOM 0 HB ILE A 46 3.047 -2.770 1.390 1.00 0.68 H new ATOM 0 HG12 ILE A 46 0.516 -2.454 0.885 1.00 0.75 H new ATOM 0 HG13 ILE A 46 0.435 -1.632 2.430 1.00 0.75 H new ATOM 0 HG21 ILE A 46 1.121 -4.479 1.487 1.00 0.91 H new ATOM 0 HG22 ILE A 46 2.350 -4.815 2.730 1.00 0.91 H new ATOM 0 HG23 ILE A 46 0.832 -3.999 3.176 1.00 0.91 H new ATOM 0 HD11 ILE A 46 0.613 -0.026 0.592 1.00 1.22 H new ATOM 0 HD12 ILE A 46 2.056 0.059 1.631 1.00 1.22 H new ATOM 0 HD13 ILE A 46 2.138 -0.775 0.061 1.00 1.22 H new ATOM 698 N LYS A 47 3.914 -3.930 4.822 1.00 0.57 N ATOM 699 CA LYS A 47 4.734 -5.086 5.132 1.00 0.61 C ATOM 700 C LYS A 47 3.963 -6.310 4.656 1.00 0.58 C ATOM 701 O LYS A 47 2.754 -6.375 4.878 1.00 1.00 O ATOM 702 CB LYS A 47 5.002 -5.172 6.631 1.00 0.73 C ATOM 703 CG LYS A 47 5.513 -3.847 7.198 1.00 0.81 C ATOM 704 CD LYS A 47 6.260 -4.143 8.502 1.00 1.03 C ATOM 705 CE LYS A 47 6.824 -2.849 9.098 1.00 1.37 C ATOM 706 NZ LYS A 47 7.650 -3.105 10.295 1.00 2.17 N ATOM 0 H LYS A 47 3.142 -3.817 5.479 1.00 0.57 H new ATOM 0 HA LYS A 47 5.703 -5.017 4.638 1.00 0.61 H new ATOM 0 HB2 LYS A 47 4.086 -5.458 7.147 1.00 0.73 H new ATOM 0 HB3 LYS A 47 5.735 -5.956 6.824 1.00 0.73 H new ATOM 0 HG2 LYS A 47 6.174 -3.357 6.483 1.00 0.81 H new ATOM 0 HG3 LYS A 47 4.682 -3.166 7.382 1.00 0.81 H new ATOM 0 HD2 LYS A 47 5.586 -4.616 9.216 1.00 1.03 H new ATOM 0 HD3 LYS A 47 7.070 -4.848 8.313 1.00 1.03 H new ATOM 0 HE2 LYS A 47 7.424 -2.335 8.347 1.00 1.37 H new ATOM 0 HE3 LYS A 47 6.002 -2.182 9.360 1.00 1.37 H new ATOM 0 HZ1 LYS A 47 8.012 -2.203 10.666 1.00 2.17 H new ATOM 0 HZ2 LYS A 47 7.072 -3.572 11.022 1.00 2.17 H new ATOM 0 HZ3 LYS A 47 8.449 -3.720 10.040 1.00 2.17 H new ATOM 720 N TYR A 48 4.625 -7.257 3.993 1.00 0.51 N ATOM 721 CA TYR A 48 4.008 -8.321 3.229 1.00 0.47 C ATOM 722 C TYR A 48 5.013 -9.396 2.821 1.00 0.51 C ATOM 723 O TYR A 48 6.198 -9.268 3.117 1.00 0.82 O ATOM 724 CB TYR A 48 3.314 -7.733 1.993 1.00 0.55 C ATOM 725 CG TYR A 48 4.232 -7.056 0.998 1.00 0.71 C ATOM 726 CD1 TYR A 48 4.539 -5.696 1.152 1.00 2.27 C ATOM 727 CD2 TYR A 48 4.598 -7.717 -0.185 1.00 1.39 C ATOM 728 CE1 TYR A 48 5.026 -4.959 0.067 1.00 2.53 C ATOM 729 CE2 TYR A 48 5.111 -6.988 -1.270 1.00 1.39 C ATOM 730 CZ TYR A 48 5.279 -5.600 -1.157 1.00 1.34 C ATOM 731 OH TYR A 48 5.589 -4.875 -2.265 1.00 1.90 O ATOM 0 H TYR A 48 5.644 -7.299 3.978 1.00 0.51 H new ATOM 0 HA TYR A 48 3.269 -8.805 3.867 1.00 0.47 H new ATOM 0 HB2 TYR A 48 2.778 -8.533 1.482 1.00 0.55 H new ATOM 0 HB3 TYR A 48 2.568 -7.011 2.324 1.00 0.55 H new ATOM 0 HD1 TYR A 48 4.399 -5.217 2.110 1.00 2.27 H new ATOM 0 HD2 TYR A 48 4.485 -8.788 -0.261 1.00 1.39 H new ATOM 0 HE1 TYR A 48 5.207 -3.899 0.170 1.00 2.53 H new ATOM 0 HE2 TYR A 48 5.375 -7.494 -2.187 1.00 1.39 H new ATOM 0 HH TYR A 48 6.530 -5.019 -2.497 1.00 1.90 H new ATOM 741 N ASP A 49 4.534 -10.434 2.129 1.00 0.67 N ATOM 742 CA ASP A 49 5.310 -11.607 1.755 1.00 0.78 C ATOM 743 C ASP A 49 5.532 -11.596 0.229 1.00 0.69 C ATOM 744 O ASP A 49 4.861 -12.339 -0.493 1.00 0.94 O ATOM 745 CB ASP A 49 4.529 -12.844 2.213 1.00 1.17 C ATOM 746 CG ASP A 49 4.202 -12.830 3.700 1.00 2.63 C ATOM 747 OD1 ASP A 49 5.051 -13.322 4.472 1.00 3.16 O ATOM 748 OD2 ASP A 49 3.103 -12.331 4.033 1.00 4.17 O ATOM 0 H ASP A 49 3.567 -10.477 1.807 1.00 0.67 H new ATOM 0 HA ASP A 49 6.292 -11.614 2.229 1.00 0.78 H new ATOM 0 HB2 ASP A 49 3.602 -12.911 1.644 1.00 1.17 H new ATOM 0 HB3 ASP A 49 5.109 -13.738 1.984 1.00 1.17 H new ATOM 753 N PRO A 50 6.427 -10.736 -0.297 1.00 0.79 N ATOM 754 CA PRO A 50 6.525 -10.412 -1.717 1.00 0.83 C ATOM 755 C PRO A 50 6.474 -11.635 -2.623 1.00 0.94 C ATOM 756 O PRO A 50 5.695 -11.653 -3.574 1.00 1.45 O ATOM 757 CB PRO A 50 7.814 -9.598 -1.896 1.00 0.88 C ATOM 758 CG PRO A 50 8.569 -9.787 -0.582 1.00 1.08 C ATOM 759 CD PRO A 50 7.450 -10.011 0.431 1.00 1.09 C ATOM 0 HA PRO A 50 5.656 -9.830 -2.024 1.00 0.83 H new ATOM 0 HB2 PRO A 50 8.396 -9.958 -2.744 1.00 0.88 H new ATOM 0 HB3 PRO A 50 7.597 -8.546 -2.082 1.00 0.88 H new ATOM 0 HG2 PRO A 50 9.249 -10.638 -0.626 1.00 1.08 H new ATOM 0 HG3 PRO A 50 9.169 -8.912 -0.333 1.00 1.08 H new ATOM 0 HD2 PRO A 50 7.803 -10.582 1.290 1.00 1.09 H new ATOM 0 HD3 PRO A 50 7.067 -9.064 0.813 1.00 1.09 H new ATOM 767 N GLU A 51 7.267 -12.655 -2.298 1.00 0.88 N ATOM 768 CA GLU A 51 7.418 -13.872 -3.073 1.00 1.00 C ATOM 769 C GLU A 51 6.070 -14.520 -3.403 1.00 1.05 C ATOM 770 O GLU A 51 5.929 -15.122 -4.465 1.00 1.57 O ATOM 771 CB GLU A 51 8.324 -14.861 -2.321 1.00 1.10 C ATOM 772 CG GLU A 51 9.598 -14.232 -1.731 1.00 1.98 C ATOM 773 CD GLU A 51 10.319 -13.332 -2.726 1.00 3.47 C ATOM 774 OE1 GLU A 51 10.972 -13.896 -3.630 1.00 4.35 O ATOM 775 OE2 GLU A 51 10.184 -12.100 -2.568 1.00 4.76 O ATOM 0 H GLU A 51 7.841 -12.650 -1.455 1.00 0.88 H new ATOM 0 HA GLU A 51 7.882 -13.605 -4.022 1.00 1.00 H new ATOM 0 HB2 GLU A 51 7.752 -15.318 -1.514 1.00 1.10 H new ATOM 0 HB3 GLU A 51 8.611 -15.662 -3.002 1.00 1.10 H new ATOM 0 HG2 GLU A 51 9.337 -13.653 -0.845 1.00 1.98 H new ATOM 0 HG3 GLU A 51 10.273 -15.024 -1.406 1.00 1.98 H new ATOM 782 N ILE A 52 5.094 -14.419 -2.491 1.00 0.75 N ATOM 783 CA ILE A 52 3.769 -14.998 -2.697 1.00 0.80 C ATOM 784 C ILE A 52 2.777 -13.984 -3.258 1.00 0.87 C ATOM 785 O ILE A 52 2.128 -14.253 -4.267 1.00 1.17 O ATOM 786 CB ILE A 52 3.245 -15.732 -1.447 1.00 0.74 C ATOM 787 CG1 ILE A 52 3.323 -14.921 -0.148 1.00 0.65 C ATOM 788 CG2 ILE A 52 3.997 -17.064 -1.297 1.00 0.99 C ATOM 789 CD1 ILE A 52 2.606 -15.616 1.018 1.00 0.85 C ATOM 0 H ILE A 52 5.203 -13.937 -1.599 1.00 0.75 H new ATOM 0 HA ILE A 52 3.878 -15.765 -3.463 1.00 0.80 H new ATOM 0 HB ILE A 52 2.180 -15.900 -1.609 1.00 0.74 H new ATOM 0 HG12 ILE A 52 4.369 -14.761 0.115 1.00 0.65 H new ATOM 0 HG13 ILE A 52 2.881 -13.938 -0.309 1.00 0.65 H new ATOM 0 HG21 ILE A 52 3.633 -17.590 -0.415 1.00 0.99 H new ATOM 0 HG22 ILE A 52 3.829 -17.678 -2.181 1.00 0.99 H new ATOM 0 HG23 ILE A 52 5.064 -16.869 -1.188 1.00 0.99 H new ATOM 0 HD11 ILE A 52 2.690 -15.002 1.915 1.00 0.85 H new ATOM 0 HD12 ILE A 52 1.554 -15.752 0.769 1.00 0.85 H new ATOM 0 HD13 ILE A 52 3.065 -16.588 1.200 1.00 0.85 H new ATOM 801 N ILE A 53 2.623 -12.835 -2.603 1.00 0.78 N ATOM 802 CA ILE A 53 1.594 -11.872 -2.998 1.00 0.88 C ATOM 803 C ILE A 53 1.964 -11.173 -4.310 1.00 0.74 C ATOM 804 O ILE A 53 1.131 -11.019 -5.200 1.00 1.24 O ATOM 805 CB ILE A 53 1.260 -10.890 -1.858 1.00 1.09 C ATOM 806 CG1 ILE A 53 0.354 -9.766 -2.374 1.00 1.33 C ATOM 807 CG2 ILE A 53 2.487 -10.286 -1.179 1.00 1.06 C ATOM 808 CD1 ILE A 53 -0.405 -9.074 -1.239 1.00 1.78 C ATOM 0 H ILE A 53 3.190 -12.549 -1.805 1.00 0.78 H new ATOM 0 HA ILE A 53 0.674 -12.423 -3.192 1.00 0.88 H new ATOM 0 HB ILE A 53 0.745 -11.480 -1.100 1.00 1.09 H new ATOM 0 HG12 ILE A 53 0.956 -9.031 -2.908 1.00 1.33 H new ATOM 0 HG13 ILE A 53 -0.359 -10.175 -3.090 1.00 1.33 H new ATOM 0 HG21 ILE A 53 2.168 -9.606 -0.389 1.00 1.06 H new ATOM 0 HG22 ILE A 53 3.094 -11.083 -0.749 1.00 1.06 H new ATOM 0 HG23 ILE A 53 3.076 -9.737 -1.914 1.00 1.06 H new ATOM 0 HD11 ILE A 53 -1.034 -8.285 -1.650 1.00 1.78 H new ATOM 0 HD12 ILE A 53 -1.029 -9.803 -0.721 1.00 1.78 H new ATOM 0 HD13 ILE A 53 0.307 -8.641 -0.536 1.00 1.78 H new ATOM 820 N GLY A 54 3.219 -10.744 -4.424 1.00 0.68 N ATOM 821 CA GLY A 54 3.721 -9.996 -5.559 1.00 0.94 C ATOM 822 C GLY A 54 3.421 -8.497 -5.402 1.00 0.73 C ATOM 823 O GLY A 54 2.257 -8.120 -5.270 1.00 0.85 O ATOM 0 H GLY A 54 3.927 -10.914 -3.709 1.00 0.68 H new ATOM 0 HA2 GLY A 54 4.796 -10.148 -5.653 1.00 0.94 H new ATOM 0 HA3 GLY A 54 3.265 -10.368 -6.476 1.00 0.94 H new ATOM 827 N PRO A 55 4.431 -7.607 -5.465 1.00 0.57 N ATOM 828 CA PRO A 55 4.225 -6.161 -5.393 1.00 0.54 C ATOM 829 C PRO A 55 3.207 -5.683 -6.435 1.00 0.51 C ATOM 830 O PRO A 55 2.456 -4.743 -6.190 1.00 0.51 O ATOM 831 CB PRO A 55 5.605 -5.527 -5.612 1.00 0.64 C ATOM 832 CG PRO A 55 6.425 -6.621 -6.290 1.00 0.65 C ATOM 833 CD PRO A 55 5.832 -7.905 -5.713 1.00 0.61 C ATOM 0 HA PRO A 55 3.809 -5.869 -4.429 1.00 0.54 H new ATOM 0 HB2 PRO A 55 5.538 -4.636 -6.237 1.00 0.64 H new ATOM 0 HB3 PRO A 55 6.055 -5.221 -4.668 1.00 0.64 H new ATOM 0 HG2 PRO A 55 6.328 -6.584 -7.375 1.00 0.65 H new ATOM 0 HG3 PRO A 55 7.487 -6.529 -6.062 1.00 0.65 H new ATOM 0 HD2 PRO A 55 5.939 -8.735 -6.411 1.00 0.61 H new ATOM 0 HD3 PRO A 55 6.341 -8.194 -4.793 1.00 0.61 H new ATOM 841 N ARG A 56 3.174 -6.340 -7.599 1.00 0.54 N ATOM 842 CA ARG A 56 2.200 -6.080 -8.648 1.00 0.60 C ATOM 843 C ARG A 56 0.762 -6.102 -8.116 1.00 0.54 C ATOM 844 O ARG A 56 -0.008 -5.209 -8.459 1.00 0.58 O ATOM 845 CB ARG A 56 2.380 -7.098 -9.784 1.00 0.71 C ATOM 846 CG ARG A 56 3.704 -6.903 -10.543 1.00 1.56 C ATOM 847 CD ARG A 56 3.533 -6.143 -11.870 1.00 2.31 C ATOM 848 NE ARG A 56 2.818 -4.862 -11.735 1.00 3.60 N ATOM 849 CZ ARG A 56 3.300 -3.721 -11.221 1.00 5.09 C ATOM 850 NH1 ARG A 56 4.535 -3.673 -10.715 1.00 5.68 N ATOM 851 NH2 ARG A 56 2.521 -2.639 -11.223 1.00 6.62 N ATOM 0 H ARG A 56 3.837 -7.078 -7.836 1.00 0.54 H new ATOM 0 HA ARG A 56 2.377 -5.076 -9.033 1.00 0.60 H new ATOM 0 HB2 ARG A 56 2.345 -8.107 -9.373 1.00 0.71 H new ATOM 0 HB3 ARG A 56 1.548 -7.010 -10.482 1.00 0.71 H new ATOM 0 HG2 ARG A 56 4.403 -6.360 -9.908 1.00 1.56 H new ATOM 0 HG3 ARG A 56 4.148 -7.878 -10.744 1.00 1.56 H new ATOM 0 HD2 ARG A 56 4.517 -5.955 -12.300 1.00 2.31 H new ATOM 0 HD3 ARG A 56 2.994 -6.777 -12.574 1.00 2.31 H new ATOM 0 HE ARG A 56 1.854 -4.841 -12.068 1.00 3.60 H new ATOM 0 HH11 ARG A 56 5.120 -4.509 -10.717 1.00 5.68 H new ATOM 0 HH12 ARG A 56 4.893 -2.801 -10.326 1.00 5.68 H new ATOM 0 HH21 ARG A 56 1.579 -2.690 -11.610 1.00 6.62 H new ATOM 0 HH22 ARG A 56 2.867 -1.761 -10.837 1.00 6.62 H new ATOM 865 N ASP A 57 0.397 -7.103 -7.306 1.00 0.54 N ATOM 866 CA ASP A 57 -0.969 -7.251 -6.808 1.00 0.52 C ATOM 867 C ASP A 57 -1.358 -6.007 -6.014 1.00 0.46 C ATOM 868 O ASP A 57 -2.321 -5.310 -6.337 1.00 0.43 O ATOM 869 CB ASP A 57 -1.075 -8.510 -5.935 1.00 0.58 C ATOM 870 CG ASP A 57 -2.411 -8.589 -5.209 1.00 1.65 C ATOM 871 OD1 ASP A 57 -3.410 -8.118 -5.790 1.00 2.58 O ATOM 872 OD2 ASP A 57 -2.417 -9.091 -4.064 1.00 2.60 O ATOM 0 H ASP A 57 1.038 -7.827 -6.981 1.00 0.54 H new ATOM 0 HA ASP A 57 -1.655 -7.359 -7.648 1.00 0.52 H new ATOM 0 HB2 ASP A 57 -0.948 -9.395 -6.558 1.00 0.58 H new ATOM 0 HB3 ASP A 57 -0.265 -8.515 -5.206 1.00 0.58 H new ATOM 877 N ILE A 58 -0.547 -5.707 -4.998 1.00 0.46 N ATOM 878 CA ILE A 58 -0.662 -4.506 -4.189 1.00 0.42 C ATOM 879 C ILE A 58 -0.804 -3.293 -5.103 1.00 0.40 C ATOM 880 O ILE A 58 -1.830 -2.616 -5.068 1.00 0.41 O ATOM 881 CB ILE A 58 0.544 -4.411 -3.232 1.00 0.48 C ATOM 882 CG1 ILE A 58 0.453 -5.541 -2.187 1.00 0.57 C ATOM 883 CG2 ILE A 58 0.615 -3.038 -2.547 1.00 0.52 C ATOM 884 CD1 ILE A 58 1.760 -5.739 -1.415 1.00 0.82 C ATOM 0 H ILE A 58 0.224 -6.311 -4.713 1.00 0.46 H new ATOM 0 HA ILE A 58 -1.556 -4.541 -3.566 1.00 0.42 H new ATOM 0 HB ILE A 58 1.460 -4.526 -3.812 1.00 0.48 H new ATOM 0 HG12 ILE A 58 -0.349 -5.316 -1.484 1.00 0.57 H new ATOM 0 HG13 ILE A 58 0.187 -6.472 -2.687 1.00 0.57 H new ATOM 0 HG21 ILE A 58 1.477 -3.008 -1.880 1.00 0.52 H new ATOM 0 HG22 ILE A 58 0.714 -2.259 -3.303 1.00 0.52 H new ATOM 0 HG23 ILE A 58 -0.295 -2.871 -1.971 1.00 0.52 H new ATOM 0 HD11 ILE A 58 1.638 -6.547 -0.693 1.00 0.82 H new ATOM 0 HD12 ILE A 58 2.559 -5.993 -2.112 1.00 0.82 H new ATOM 0 HD13 ILE A 58 2.015 -4.819 -0.890 1.00 0.82 H new ATOM 896 N ILE A 59 0.207 -3.024 -5.928 1.00 0.43 N ATOM 897 CA ILE A 59 0.237 -1.826 -6.747 1.00 0.46 C ATOM 898 C ILE A 59 -1.039 -1.719 -7.589 1.00 0.44 C ATOM 899 O ILE A 59 -1.727 -0.708 -7.509 1.00 0.47 O ATOM 900 CB ILE A 59 1.550 -1.768 -7.553 1.00 0.54 C ATOM 901 CG1 ILE A 59 2.732 -1.520 -6.595 1.00 0.81 C ATOM 902 CG2 ILE A 59 1.502 -0.665 -8.617 1.00 0.77 C ATOM 903 CD1 ILE A 59 4.093 -1.806 -7.239 1.00 1.27 C ATOM 0 H ILE A 59 1.020 -3.629 -6.043 1.00 0.43 H new ATOM 0 HA ILE A 59 0.239 -0.936 -6.117 1.00 0.46 H new ATOM 0 HB ILE A 59 1.682 -2.722 -8.063 1.00 0.54 H new ATOM 0 HG12 ILE A 59 2.707 -0.484 -6.256 1.00 0.81 H new ATOM 0 HG13 ILE A 59 2.615 -2.148 -5.712 1.00 0.81 H new ATOM 0 HG21 ILE A 59 2.442 -0.650 -9.168 1.00 0.77 H new ATOM 0 HG22 ILE A 59 0.681 -0.860 -9.306 1.00 0.77 H new ATOM 0 HG23 ILE A 59 1.349 0.300 -8.134 1.00 0.77 H new ATOM 0 HD11 ILE A 59 4.885 -1.613 -6.516 1.00 1.27 H new ATOM 0 HD12 ILE A 59 4.135 -2.849 -7.554 1.00 1.27 H new ATOM 0 HD13 ILE A 59 4.228 -1.160 -8.106 1.00 1.27 H new ATOM 915 N HIS A 60 -1.393 -2.751 -8.361 1.00 0.44 N ATOM 916 CA HIS A 60 -2.576 -2.688 -9.212 1.00 0.48 C ATOM 917 C HIS A 60 -3.870 -2.581 -8.403 1.00 0.44 C ATOM 918 O HIS A 60 -4.808 -1.905 -8.828 1.00 0.46 O ATOM 919 CB HIS A 60 -2.600 -3.844 -10.214 1.00 0.65 C ATOM 920 CG HIS A 60 -1.584 -3.636 -11.306 1.00 1.16 C ATOM 921 ND1 HIS A 60 -1.539 -2.557 -12.162 1.00 2.20 N ATOM 922 CD2 HIS A 60 -0.450 -4.372 -11.510 1.00 1.49 C ATOM 923 CE1 HIS A 60 -0.404 -2.647 -12.870 1.00 2.60 C ATOM 924 NE2 HIS A 60 0.319 -3.720 -12.485 1.00 2.20 N ATOM 0 H HIS A 60 -0.880 -3.631 -8.412 1.00 0.44 H new ATOM 0 HA HIS A 60 -2.512 -1.766 -9.790 1.00 0.48 H new ATOM 0 HB2 HIS A 60 -2.396 -4.782 -9.697 1.00 0.65 H new ATOM 0 HB3 HIS A 60 -3.595 -3.930 -10.650 1.00 0.65 H new ATOM 0 HD1 HIS A 60 -2.242 -1.823 -12.242 1.00 2.20 H new ATOM 0 HD2 HIS A 60 -0.192 -5.293 -11.009 1.00 1.49 H new ATOM 0 HE1 HIS A 60 -0.108 -1.954 -13.644 1.00 2.60 H new ATOM 932 N THR A 61 -3.940 -3.202 -7.226 1.00 0.43 N ATOM 933 CA THR A 61 -5.119 -3.060 -6.384 1.00 0.46 C ATOM 934 C THR A 61 -5.244 -1.606 -5.922 1.00 0.40 C ATOM 935 O THR A 61 -6.297 -0.988 -6.074 1.00 0.43 O ATOM 936 CB THR A 61 -5.080 -4.069 -5.230 1.00 0.57 C ATOM 937 OG1 THR A 61 -5.035 -5.369 -5.780 1.00 0.69 O ATOM 938 CG2 THR A 61 -6.345 -3.981 -4.368 1.00 0.70 C ATOM 0 H THR A 61 -3.206 -3.797 -6.842 1.00 0.43 H new ATOM 0 HA THR A 61 -6.019 -3.292 -6.953 1.00 0.46 H new ATOM 0 HB THR A 61 -4.209 -3.851 -4.613 1.00 0.57 H new ATOM 0 HG1 THR A 61 -4.119 -5.573 -6.063 1.00 0.69 H new ATOM 0 HG21 THR A 61 -6.285 -4.709 -3.559 1.00 0.70 H new ATOM 0 HG22 THR A 61 -6.430 -2.979 -3.948 1.00 0.70 H new ATOM 0 HG23 THR A 61 -7.220 -4.193 -4.983 1.00 0.70 H new ATOM 946 N ILE A 62 -4.170 -1.035 -5.374 1.00 0.38 N ATOM 947 CA ILE A 62 -4.189 0.324 -4.857 1.00 0.41 C ATOM 948 C ILE A 62 -4.445 1.329 -5.987 1.00 0.39 C ATOM 949 O ILE A 62 -5.260 2.237 -5.830 1.00 0.43 O ATOM 950 CB ILE A 62 -2.914 0.584 -4.029 1.00 0.55 C ATOM 951 CG1 ILE A 62 -2.768 -0.387 -2.835 1.00 0.68 C ATOM 952 CG2 ILE A 62 -2.893 2.017 -3.499 1.00 0.67 C ATOM 953 CD1 ILE A 62 -4.088 -0.819 -2.190 1.00 1.83 C ATOM 0 H ILE A 62 -3.269 -1.504 -5.279 1.00 0.38 H new ATOM 0 HA ILE A 62 -5.023 0.461 -4.169 1.00 0.41 H new ATOM 0 HB ILE A 62 -2.077 0.420 -4.708 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -2.237 -1.277 -3.172 1.00 0.68 H new ATOM 0 HG13 ILE A 62 -2.147 0.086 -2.075 1.00 0.68 H new ATOM 0 HG21 ILE A 62 -1.985 2.177 -2.918 1.00 0.67 H new ATOM 0 HG22 ILE A 62 -2.916 2.715 -4.336 1.00 0.67 H new ATOM 0 HG23 ILE A 62 -3.763 2.183 -2.864 1.00 0.67 H new ATOM 0 HD11 ILE A 62 -3.883 -1.499 -1.363 1.00 1.83 H new ATOM 0 HD12 ILE A 62 -4.615 0.059 -1.817 1.00 1.83 H new ATOM 0 HD13 ILE A 62 -4.707 -1.325 -2.931 1.00 1.83 H new ATOM 965 N GLU A 63 -3.802 1.138 -7.139 1.00 0.41 N ATOM 966 CA GLU A 63 -4.075 1.836 -8.380 1.00 0.48 C ATOM 967 C GLU A 63 -5.585 1.816 -8.652 1.00 0.50 C ATOM 968 O GLU A 63 -6.239 2.860 -8.650 1.00 0.59 O ATOM 969 CB GLU A 63 -3.247 1.108 -9.445 1.00 0.56 C ATOM 970 CG GLU A 63 -3.319 1.614 -10.876 1.00 0.70 C ATOM 971 CD GLU A 63 -2.520 0.666 -11.766 1.00 1.82 C ATOM 972 OE1 GLU A 63 -3.107 -0.356 -12.186 1.00 2.36 O ATOM 973 OE2 GLU A 63 -1.309 0.912 -11.943 1.00 3.20 O ATOM 0 H GLU A 63 -3.044 0.461 -7.229 1.00 0.41 H new ATOM 0 HA GLU A 63 -3.797 2.890 -8.363 1.00 0.48 H new ATOM 0 HB2 GLU A 63 -2.203 1.137 -9.133 1.00 0.56 H new ATOM 0 HB3 GLU A 63 -3.551 0.061 -9.446 1.00 0.56 H new ATOM 0 HG2 GLU A 63 -4.356 1.662 -11.209 1.00 0.70 H new ATOM 0 HG3 GLU A 63 -2.916 2.625 -10.941 1.00 0.70 H new ATOM 980 N SER A 64 -6.144 0.612 -8.822 1.00 0.52 N ATOM 981 CA SER A 64 -7.559 0.387 -9.095 1.00 0.61 C ATOM 982 C SER A 64 -8.463 1.089 -8.074 1.00 0.61 C ATOM 983 O SER A 64 -9.473 1.684 -8.442 1.00 0.76 O ATOM 984 CB SER A 64 -7.830 -1.120 -9.165 1.00 0.64 C ATOM 985 OG SER A 64 -9.170 -1.386 -9.535 1.00 1.01 O ATOM 0 H SER A 64 -5.606 -0.253 -8.771 1.00 0.52 H new ATOM 0 HA SER A 64 -7.803 0.831 -10.060 1.00 0.61 H new ATOM 0 HB2 SER A 64 -7.154 -1.580 -9.885 1.00 0.64 H new ATOM 0 HB3 SER A 64 -7.621 -1.574 -8.197 1.00 0.64 H new ATOM 0 HG SER A 64 -9.313 -2.355 -9.573 1.00 1.01 H new ATOM 991 N LEU A 65 -8.095 1.060 -6.789 1.00 0.54 N ATOM 992 CA LEU A 65 -8.846 1.723 -5.728 1.00 0.58 C ATOM 993 C LEU A 65 -8.865 3.253 -5.840 1.00 0.57 C ATOM 994 O LEU A 65 -9.580 3.887 -5.056 1.00 0.68 O ATOM 995 CB LEU A 65 -8.339 1.265 -4.356 1.00 0.67 C ATOM 996 CG LEU A 65 -8.753 -0.177 -4.025 1.00 1.20 C ATOM 997 CD1 LEU A 65 -7.926 -0.673 -2.840 1.00 1.72 C ATOM 998 CD2 LEU A 65 -10.239 -0.299 -3.658 1.00 2.01 C ATOM 0 H LEU A 65 -7.263 0.572 -6.458 1.00 0.54 H new ATOM 0 HA LEU A 65 -9.886 1.418 -5.847 1.00 0.58 H new ATOM 0 HB2 LEU A 65 -7.252 1.342 -4.330 1.00 0.67 H new ATOM 0 HB3 LEU A 65 -8.725 1.935 -3.588 1.00 0.67 H new ATOM 0 HG LEU A 65 -8.577 -0.775 -4.919 1.00 1.20 H new ATOM 0 HD11 LEU A 65 -8.214 -1.696 -2.598 1.00 1.72 H new ATOM 0 HD12 LEU A 65 -6.867 -0.645 -3.098 1.00 1.72 H new ATOM 0 HD13 LEU A 65 -8.106 -0.032 -1.977 1.00 1.72 H new ATOM 0 HD21 LEU A 65 -10.474 -1.339 -3.434 1.00 2.01 H new ATOM 0 HD22 LEU A 65 -10.450 0.317 -2.784 1.00 2.01 H new ATOM 0 HD23 LEU A 65 -10.850 0.039 -4.495 1.00 2.01 H new ATOM 1010 N GLY A 66 -8.156 3.838 -6.808 1.00 0.63 N ATOM 1011 CA GLY A 66 -8.234 5.252 -7.127 1.00 0.61 C ATOM 1012 C GLY A 66 -7.121 6.010 -6.420 1.00 0.48 C ATOM 1013 O GLY A 66 -7.376 7.019 -5.766 1.00 0.58 O ATOM 0 H GLY A 66 -7.501 3.326 -7.399 1.00 0.63 H new ATOM 0 HA2 GLY A 66 -8.154 5.394 -8.205 1.00 0.61 H new ATOM 0 HA3 GLY A 66 -9.203 5.648 -6.824 1.00 0.61 H new ATOM 1017 N PHE A 67 -5.889 5.518 -6.570 1.00 0.51 N ATOM 1018 CA PHE A 67 -4.698 6.129 -6.004 1.00 0.47 C ATOM 1019 C PHE A 67 -3.568 6.073 -7.016 1.00 0.54 C ATOM 1020 O PHE A 67 -3.677 5.361 -8.010 1.00 0.80 O ATOM 1021 CB PHE A 67 -4.283 5.367 -4.745 1.00 0.72 C ATOM 1022 CG PHE A 67 -5.286 5.456 -3.623 1.00 0.67 C ATOM 1023 CD1 PHE A 67 -5.546 6.706 -3.042 1.00 1.57 C ATOM 1024 CD2 PHE A 67 -6.068 4.340 -3.274 1.00 1.85 C ATOM 1025 CE1 PHE A 67 -6.645 6.861 -2.187 1.00 1.63 C ATOM 1026 CE2 PHE A 67 -7.114 4.480 -2.350 1.00 1.78 C ATOM 1027 CZ PHE A 67 -7.418 5.747 -1.826 1.00 0.62 C ATOM 0 H PHE A 67 -5.694 4.668 -7.099 1.00 0.51 H new ATOM 0 HA PHE A 67 -4.911 7.168 -5.751 1.00 0.47 H new ATOM 0 HB2 PHE A 67 -4.129 4.319 -5.000 1.00 0.72 H new ATOM 0 HB3 PHE A 67 -3.326 5.754 -4.396 1.00 0.72 H new ATOM 0 HD1 PHE A 67 -4.901 7.546 -3.253 1.00 1.57 H new ATOM 0 HD2 PHE A 67 -5.863 3.377 -3.717 1.00 1.85 H new ATOM 0 HE1 PHE A 67 -6.898 7.839 -1.805 1.00 1.63 H new ATOM 0 HE2 PHE A 67 -7.684 3.616 -2.042 1.00 1.78 H new ATOM 0 HZ PHE A 67 -8.248 5.864 -1.144 1.00 0.62 H new ATOM 1037 N GLU A 68 -2.472 6.787 -6.734 1.00 0.47 N ATOM 1038 CA GLU A 68 -1.283 6.787 -7.577 1.00 0.54 C ATOM 1039 C GLU A 68 -0.083 6.124 -6.894 1.00 0.50 C ATOM 1040 O GLU A 68 0.779 6.850 -6.412 1.00 0.60 O ATOM 1041 CB GLU A 68 -1.027 8.227 -8.051 1.00 0.70 C ATOM 1042 CG GLU A 68 -0.008 8.363 -9.193 1.00 2.05 C ATOM 1043 CD GLU A 68 1.368 8.768 -8.682 1.00 3.20 C ATOM 1044 OE1 GLU A 68 1.486 9.923 -8.218 1.00 3.66 O ATOM 1045 OE2 GLU A 68 2.277 7.915 -8.733 1.00 4.42 O ATOM 0 H GLU A 68 -2.390 7.382 -5.910 1.00 0.47 H new ATOM 0 HA GLU A 68 -1.448 6.167 -8.458 1.00 0.54 H new ATOM 0 HB2 GLU A 68 -1.973 8.661 -8.375 1.00 0.70 H new ATOM 0 HB3 GLU A 68 -0.680 8.817 -7.202 1.00 0.70 H new ATOM 0 HG2 GLU A 68 0.067 7.416 -9.727 1.00 2.05 H new ATOM 0 HG3 GLU A 68 -0.362 9.105 -9.909 1.00 2.05 H new ATOM 1052 N PRO A 69 -0.025 4.776 -6.823 1.00 0.47 N ATOM 1053 CA PRO A 69 1.019 4.038 -6.118 1.00 0.54 C ATOM 1054 C PRO A 69 2.397 4.162 -6.780 1.00 0.63 C ATOM 1055 O PRO A 69 2.904 3.212 -7.377 1.00 1.20 O ATOM 1056 CB PRO A 69 0.521 2.595 -6.005 1.00 0.57 C ATOM 1057 CG PRO A 69 -0.435 2.454 -7.178 1.00 0.56 C ATOM 1058 CD PRO A 69 -1.041 3.849 -7.305 1.00 0.51 C ATOM 0 HA PRO A 69 1.186 4.458 -5.126 1.00 0.54 H new ATOM 0 HB2 PRO A 69 1.342 1.881 -6.069 1.00 0.57 H new ATOM 0 HB3 PRO A 69 0.018 2.418 -5.054 1.00 0.57 H new ATOM 0 HG2 PRO A 69 0.086 2.157 -8.088 1.00 0.56 H new ATOM 0 HG3 PRO A 69 -1.198 1.700 -6.987 1.00 0.56 H new ATOM 0 HD2 PRO A 69 -1.307 4.066 -8.340 1.00 0.51 H new ATOM 0 HD3 PRO A 69 -1.955 3.932 -6.717 1.00 0.51 H new ATOM 1066 N SER A 70 3.037 5.320 -6.627 1.00 0.64 N ATOM 1067 CA SER A 70 4.393 5.560 -7.077 1.00 0.76 C ATOM 1068 C SER A 70 5.371 4.834 -6.157 1.00 0.69 C ATOM 1069 O SER A 70 5.505 5.175 -4.980 1.00 0.88 O ATOM 1070 CB SER A 70 4.692 7.066 -7.114 1.00 0.97 C ATOM 1071 OG SER A 70 3.666 7.816 -6.495 1.00 2.36 O ATOM 0 H SER A 70 2.612 6.130 -6.176 1.00 0.64 H new ATOM 0 HA SER A 70 4.508 5.174 -8.090 1.00 0.76 H new ATOM 0 HB2 SER A 70 5.640 7.262 -6.612 1.00 0.97 H new ATOM 0 HB3 SER A 70 4.806 7.389 -8.149 1.00 0.97 H new ATOM 0 HG SER A 70 2.852 7.767 -7.038 1.00 2.36 H new ATOM 1077 N LEU A 71 6.097 3.861 -6.708 1.00 0.81 N ATOM 1078 CA LEU A 71 7.208 3.193 -6.057 1.00 0.89 C ATOM 1079 C LEU A 71 8.359 4.195 -5.899 1.00 1.11 C ATOM 1080 O LEU A 71 9.318 4.177 -6.665 1.00 1.88 O ATOM 1081 CB LEU A 71 7.579 1.958 -6.895 1.00 1.30 C ATOM 1082 CG LEU A 71 8.277 0.874 -6.067 1.00 2.10 C ATOM 1083 CD1 LEU A 71 8.412 -0.402 -6.905 1.00 3.18 C ATOM 1084 CD2 LEU A 71 9.661 1.298 -5.560 1.00 2.80 C ATOM 0 H LEU A 71 5.917 3.510 -7.649 1.00 0.81 H new ATOM 0 HA LEU A 71 6.954 2.844 -5.056 1.00 0.89 H new ATOM 0 HB2 LEU A 71 6.676 1.543 -7.343 1.00 1.30 H new ATOM 0 HB3 LEU A 71 8.231 2.261 -7.714 1.00 1.30 H new ATOM 0 HG LEU A 71 7.656 0.698 -5.189 1.00 2.10 H new ATOM 0 HD11 LEU A 71 8.909 -1.173 -6.316 1.00 3.18 H new ATOM 0 HD12 LEU A 71 7.422 -0.751 -7.199 1.00 3.18 H new ATOM 0 HD13 LEU A 71 9.002 -0.191 -7.797 1.00 3.18 H new ATOM 0 HD21 LEU A 71 10.101 0.486 -4.981 1.00 2.80 H new ATOM 0 HD22 LEU A 71 10.305 1.529 -6.409 1.00 2.80 H new ATOM 0 HD23 LEU A 71 9.562 2.181 -4.929 1.00 2.80 H new ATOM 1096 N VAL A 72 8.216 5.089 -4.918 1.00 1.45 N ATOM 1097 CA VAL A 72 9.106 6.205 -4.625 1.00 1.74 C ATOM 1098 C VAL A 72 10.584 5.795 -4.687 1.00 1.60 C ATOM 1099 O VAL A 72 11.275 6.229 -5.607 1.00 2.35 O ATOM 1100 CB VAL A 72 8.657 6.918 -3.331 1.00 2.42 C ATOM 1101 CG1 VAL A 72 8.116 5.971 -2.246 1.00 3.41 C ATOM 1102 CG2 VAL A 72 9.743 7.842 -2.766 1.00 3.47 C ATOM 0 H VAL A 72 7.428 5.047 -4.271 1.00 1.45 H new ATOM 0 HA VAL A 72 9.025 6.957 -5.410 1.00 1.74 H new ATOM 0 HB VAL A 72 7.814 7.537 -3.638 1.00 2.42 H new ATOM 0 HG11 VAL A 72 7.823 6.550 -1.371 1.00 3.41 H new ATOM 0 HG12 VAL A 72 7.250 5.433 -2.632 1.00 3.41 H new ATOM 0 HG13 VAL A 72 8.891 5.258 -1.966 1.00 3.41 H new ATOM 0 HG21 VAL A 72 9.378 8.319 -1.857 1.00 3.47 H new ATOM 0 HG22 VAL A 72 10.634 7.258 -2.536 1.00 3.47 H new ATOM 0 HG23 VAL A 72 9.990 8.606 -3.503 1.00 3.47 H new ATOM 1112 N LYS A 73 11.052 4.949 -3.760 1.00 1.54 N ATOM 1113 CA LYS A 73 12.404 4.412 -3.710 1.00 2.42 C ATOM 1114 C LYS A 73 13.349 5.443 -3.095 1.00 2.67 C ATOM 1115 O LYS A 73 13.242 6.637 -3.359 1.00 3.61 O ATOM 1116 CB LYS A 73 12.874 3.879 -5.074 1.00 3.64 C ATOM 1117 CG LYS A 73 14.112 2.983 -4.969 1.00 4.49 C ATOM 1118 CD LYS A 73 14.427 2.420 -6.363 1.00 5.65 C ATOM 1119 CE LYS A 73 15.689 1.547 -6.381 1.00 6.82 C ATOM 1120 NZ LYS A 73 16.915 2.322 -6.094 1.00 7.25 N ATOM 0 H LYS A 73 10.468 4.610 -2.995 1.00 1.54 H new ATOM 0 HA LYS A 73 12.410 3.537 -3.059 1.00 2.42 H new ATOM 0 HB2 LYS A 73 12.063 3.317 -5.538 1.00 3.64 H new ATOM 0 HB3 LYS A 73 13.095 4.720 -5.731 1.00 3.64 H new ATOM 0 HG2 LYS A 73 14.961 3.553 -4.590 1.00 4.49 H new ATOM 0 HG3 LYS A 73 13.933 2.171 -4.264 1.00 4.49 H new ATOM 0 HD2 LYS A 73 13.579 1.831 -6.712 1.00 5.65 H new ATOM 0 HD3 LYS A 73 14.552 3.246 -7.063 1.00 5.65 H new ATOM 0 HE2 LYS A 73 15.586 0.749 -5.645 1.00 6.82 H new ATOM 0 HE3 LYS A 73 15.784 1.070 -7.357 1.00 6.82 H new ATOM 0 HZ1 LYS A 73 17.747 1.707 -6.201 1.00 7.25 H new ATOM 0 HZ2 LYS A 73 16.986 3.119 -6.759 1.00 7.25 H new ATOM 0 HZ3 LYS A 73 16.876 2.686 -5.120 1.00 7.25 H new ATOM 1134 N ILE A 74 14.284 4.960 -2.267 1.00 2.99 N ATOM 1135 CA ILE A 74 14.988 5.779 -1.289 1.00 3.82 C ATOM 1136 C ILE A 74 13.922 6.322 -0.328 1.00 4.49 C ATOM 1137 O ILE A 74 13.619 7.513 -0.318 1.00 5.04 O ATOM 1138 CB ILE A 74 15.883 6.854 -1.942 1.00 4.48 C ATOM 1139 CG1 ILE A 74 16.703 6.323 -3.136 1.00 5.24 C ATOM 1140 CG2 ILE A 74 16.817 7.461 -0.886 1.00 5.44 C ATOM 1141 CD1 ILE A 74 17.594 5.117 -2.815 1.00 6.10 C ATOM 0 H ILE A 74 14.571 3.981 -2.262 1.00 2.99 H new ATOM 0 HA ILE A 74 15.710 5.190 -0.724 1.00 3.82 H new ATOM 0 HB ILE A 74 15.218 7.620 -2.342 1.00 4.48 H new ATOM 0 HG12 ILE A 74 16.017 6.048 -3.937 1.00 5.24 H new ATOM 0 HG13 ILE A 74 17.330 7.130 -3.516 1.00 5.24 H new ATOM 0 HG21 ILE A 74 17.447 8.219 -1.351 1.00 5.44 H new ATOM 0 HG22 ILE A 74 16.223 7.918 -0.094 1.00 5.44 H new ATOM 0 HG23 ILE A 74 17.445 6.677 -0.462 1.00 5.44 H new ATOM 0 HD11 ILE A 74 18.132 4.813 -3.713 1.00 6.10 H new ATOM 0 HD12 ILE A 74 18.309 5.389 -2.038 1.00 6.10 H new ATOM 0 HD13 ILE A 74 16.975 4.290 -2.465 1.00 6.10 H new ATOM 1153 N GLU A 75 13.343 5.384 0.428 1.00 5.53 N ATOM 1154 CA GLU A 75 12.046 5.495 1.071 1.00 7.07 C ATOM 1155 C GLU A 75 10.942 5.588 0.010 1.00 7.59 C ATOM 1156 O GLU A 75 9.964 6.328 0.263 1.00 8.55 O ATOM 1157 CB GLU A 75 11.981 6.644 2.085 1.00 7.86 C ATOM 1158 CG GLU A 75 13.081 6.654 3.151 1.00 8.56 C ATOM 1159 CD GLU A 75 12.784 7.699 4.225 1.00 9.69 C ATOM 1160 OE1 GLU A 75 11.591 8.057 4.369 1.00 10.53 O ATOM 1161 OE2 GLU A 75 13.757 8.120 4.885 1.00 10.10 O ATOM 1162 OXT GLU A 75 11.079 4.901 -1.029 1.00 7.58 O ATOM 0 H GLU A 75 13.794 4.488 0.612 1.00 5.53 H new ATOM 0 HA GLU A 75 11.884 4.589 1.656 1.00 7.07 H new ATOM 0 HB2 GLU A 75 12.020 7.587 1.540 1.00 7.86 H new ATOM 0 HB3 GLU A 75 11.014 6.606 2.587 1.00 7.86 H new ATOM 0 HG2 GLU A 75 13.160 5.668 3.608 1.00 8.56 H new ATOM 0 HG3 GLU A 75 14.043 6.867 2.686 1.00 8.56 H new TER 1169 GLU A 75