USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 678 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 28 TYR OH : rot 151:sc= 0.206 USER MOD Set 1.2: A 32 LYS NZ :NH3+ -177:sc= 0.415 (180deg=-0.246) USER MOD Single : A 7 LYS NZ :NH3+ 130:sc= 1.26 (180deg=0.351) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= -0.804! C(o=-0.8!,f=-5.8!) USER MOD Single : A 16 LYS NZ :NH3+ 148:sc= 1.23 (180deg=-0.131) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0415 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 170:sc= -0.129 (180deg=-0.231) USER MOD Single : A 29 SER OG : rot 75:sc= 0.754 USER MOD Single : A 30 HIS : no HD1:sc= -2.9 X(o=-2.9,f=-3) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -21.4! C(o=-21!,f=-23!) USER MOD Single : A 35 THR OG1 : rot -90:sc= -2.38! USER MOD Single : A 40 ASN :FLIP amide:sc= 0.0778 F(o=-2.2!,f=0.078) USER MOD Single : A 41 THR OG1 : rot -149:sc= 0.761 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -154:sc= -0.533 (180deg=-0.833) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.015 K(o=-0.015,f=-0.78) USER MOD Single : A 62 LYS NZ :NH3+ 151:sc= -0.239 (180deg=-1.78!) USER MOD Single : A 64 THR OG1 : rot 91:sc= 1.16 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= -3.45 (180deg=-3.96!) USER MOD Single : A 70 MET CE :methyl -143:sc= 0 (180deg=-0.739) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= 0.421 (180deg=-0.7!) USER MOD Single : A 73 TYR OH : rot -110:sc= -0.511 USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= 1.78 (180deg=1.23) USER MOD Single : A 81 LYS NZ :NH3+ -109:sc= -0.417 (180deg=-2.33!) USER MOD Single : A 82 LYS NZ :NH3+ -146:sc= -0.365 (180deg=-1.76!) USER MOD Single : A 83 LYS NZ :NH3+ -121:sc= 2.2 (180deg=0.282) USER MOD Single : A 84 TYR OH : rot -172:sc= 1.66 USER MOD ----------------------------------------------------------------- ATOM 31 N ALA A 3 3.023 4.142 -2.139 1.00 1.25 N ATOM 32 CA ALA A 3 3.982 4.607 -1.071 1.00 1.23 C ATOM 33 C ALA A 3 5.040 3.583 -0.548 1.00 1.11 C ATOM 34 O ALA A 3 6.124 3.979 -0.176 1.00 1.25 O ATOM 35 CB ALA A 3 3.117 5.126 0.097 1.00 1.20 C ATOM 0 HA ALA A 3 4.611 5.367 -1.536 1.00 1.23 H new ATOM 0 HB1 ALA A 3 3.764 5.477 0.901 1.00 1.20 H new ATOM 0 HB2 ALA A 3 2.492 5.949 -0.251 1.00 1.20 H new ATOM 0 HB3 ALA A 3 2.483 4.320 0.467 1.00 1.20 H new ATOM 41 N GLU A 4 4.697 2.314 -0.579 1.00 0.86 N ATOM 42 CA GLU A 4 5.584 1.222 -0.098 1.00 0.73 C ATOM 43 C GLU A 4 6.736 0.862 -1.014 1.00 0.32 C ATOM 44 O GLU A 4 7.792 0.419 -0.604 1.00 0.11 O ATOM 45 CB GLU A 4 4.669 0.007 0.170 1.00 1.04 C ATOM 46 CG GLU A 4 3.968 0.053 1.586 1.00 1.44 C ATOM 47 CD GLU A 4 4.943 0.349 2.734 1.00 4.00 C ATOM 48 OE1 GLU A 4 5.197 1.534 2.862 1.00 5.15 O ATOM 49 OE2 GLU A 4 5.380 -0.574 3.401 1.00 5.19 O ATOM 0 H GLU A 4 3.799 1.987 -0.935 1.00 0.86 H new ATOM 0 HA GLU A 4 6.095 1.567 0.801 1.00 0.73 H new ATOM 0 HB2 GLU A 4 3.904 -0.041 -0.605 1.00 1.04 H new ATOM 0 HB3 GLU A 4 5.258 -0.907 0.093 1.00 1.04 H new ATOM 0 HG2 GLU A 4 3.189 0.815 1.574 1.00 1.44 H new ATOM 0 HG3 GLU A 4 3.477 -0.902 1.772 1.00 1.44 H new ATOM 56 N PHE A 5 6.490 1.078 -2.254 1.00 0.44 N ATOM 57 CA PHE A 5 7.500 0.793 -3.297 1.00 0.25 C ATOM 58 C PHE A 5 8.449 1.956 -3.218 1.00 0.14 C ATOM 59 O PHE A 5 9.631 1.777 -3.012 1.00 0.18 O ATOM 60 CB PHE A 5 6.802 0.792 -4.586 1.00 0.34 C ATOM 61 CG PHE A 5 7.793 1.118 -5.733 1.00 0.20 C ATOM 62 CD1 PHE A 5 8.777 0.222 -6.097 1.00 0.27 C ATOM 63 CD2 PHE A 5 7.717 2.326 -6.401 1.00 0.08 C ATOM 64 CE1 PHE A 5 9.669 0.526 -7.107 1.00 0.34 C ATOM 65 CE2 PHE A 5 8.608 2.632 -7.411 1.00 0.20 C ATOM 66 CZ PHE A 5 9.584 1.732 -7.764 1.00 0.33 C ATOM 0 H PHE A 5 5.608 1.451 -2.607 1.00 0.44 H new ATOM 0 HA PHE A 5 8.019 -0.158 -3.177 1.00 0.25 H new ATOM 0 HB2 PHE A 5 6.343 -0.181 -4.758 1.00 0.34 H new ATOM 0 HB3 PHE A 5 5.997 1.526 -4.572 1.00 0.34 H new ATOM 0 HD1 PHE A 5 8.851 -0.727 -5.587 1.00 0.27 H new ATOM 0 HD2 PHE A 5 6.952 3.039 -6.130 1.00 0.08 H new ATOM 0 HE1 PHE A 5 10.435 -0.184 -7.382 1.00 0.34 H new ATOM 0 HE2 PHE A 5 8.537 3.580 -7.924 1.00 0.20 H new ATOM 0 HZ PHE A 5 10.281 1.970 -8.554 1.00 0.33 H new ATOM 76 N ASP A 6 7.866 3.111 -3.403 1.00 0.16 N ATOM 77 CA ASP A 6 8.659 4.348 -3.348 1.00 0.28 C ATOM 78 C ASP A 6 9.506 4.279 -2.080 1.00 0.37 C ATOM 79 O ASP A 6 10.712 4.386 -2.125 1.00 0.57 O ATOM 80 CB ASP A 6 7.582 5.435 -3.435 1.00 0.43 C ATOM 81 CG ASP A 6 6.852 5.368 -4.797 1.00 0.74 C ATOM 82 OD1 ASP A 6 7.481 5.517 -5.830 1.00 2.84 O ATOM 83 OD2 ASP A 6 5.651 5.154 -4.769 1.00 1.28 O ATOM 0 H ASP A 6 6.871 3.239 -3.590 1.00 0.16 H new ATOM 0 HA ASP A 6 9.391 4.537 -4.133 1.00 0.28 H new ATOM 0 HB2 ASP A 6 6.864 5.309 -2.625 1.00 0.43 H new ATOM 0 HB3 ASP A 6 8.037 6.417 -3.308 1.00 0.43 H new ATOM 88 N LYS A 7 8.827 4.061 -1.000 1.00 0.28 N ATOM 89 CA LYS A 7 9.487 3.947 0.353 1.00 0.44 C ATOM 90 C LYS A 7 10.775 3.092 0.304 1.00 0.36 C ATOM 91 O LYS A 7 11.806 3.425 0.859 1.00 0.37 O ATOM 92 CB LYS A 7 8.487 3.289 1.334 1.00 0.76 C ATOM 93 CG LYS A 7 9.178 2.656 2.616 1.00 1.48 C ATOM 94 CD LYS A 7 8.159 1.657 3.253 1.00 2.66 C ATOM 95 CE LYS A 7 8.829 0.471 3.976 1.00 3.73 C ATOM 96 NZ LYS A 7 9.616 0.983 5.138 1.00 3.75 N ATOM 0 H LYS A 7 7.813 3.952 -0.981 1.00 0.28 H new ATOM 0 HA LYS A 7 9.765 4.949 0.679 1.00 0.44 H new ATOM 0 HB2 LYS A 7 7.760 4.036 1.654 1.00 0.76 H new ATOM 0 HB3 LYS A 7 7.934 2.511 0.808 1.00 0.76 H new ATOM 0 HG2 LYS A 7 10.099 2.141 2.341 1.00 1.48 H new ATOM 0 HG3 LYS A 7 9.449 3.434 3.329 1.00 1.48 H new ATOM 0 HD2 LYS A 7 7.529 2.195 3.962 1.00 2.66 H new ATOM 0 HD3 LYS A 7 7.503 1.272 2.472 1.00 2.66 H new ATOM 0 HE2 LYS A 7 8.073 -0.236 4.317 1.00 3.73 H new ATOM 0 HE3 LYS A 7 9.482 -0.067 3.289 1.00 3.73 H new ATOM 0 HZ1 LYS A 7 9.369 0.441 5.990 1.00 3.75 H new ATOM 0 HZ2 LYS A 7 10.632 0.877 4.943 1.00 3.75 H new ATOM 0 HZ3 LYS A 7 9.395 1.988 5.291 1.00 3.75 H new ATOM 110 N ALA A 8 10.658 1.983 -0.383 1.00 0.42 N ATOM 111 CA ALA A 8 11.808 1.038 -0.511 1.00 0.47 C ATOM 112 C ALA A 8 13.009 1.776 -1.134 1.00 0.45 C ATOM 113 O ALA A 8 14.140 1.548 -0.736 1.00 0.45 O ATOM 114 CB ALA A 8 11.292 -0.168 -1.354 1.00 0.49 C ATOM 0 H ALA A 8 9.808 1.690 -0.864 1.00 0.42 H new ATOM 0 HA ALA A 8 12.166 0.661 0.447 1.00 0.47 H new ATOM 0 HB1 ALA A 8 12.095 -0.894 -1.480 1.00 0.49 H new ATOM 0 HB2 ALA A 8 10.454 -0.639 -0.840 1.00 0.49 H new ATOM 0 HB3 ALA A 8 10.965 0.185 -2.332 1.00 0.49 H new ATOM 120 N ALA A 9 12.754 2.635 -2.093 1.00 0.43 N ATOM 121 CA ALA A 9 13.878 3.391 -2.726 1.00 0.40 C ATOM 122 C ALA A 9 14.736 4.094 -1.642 1.00 0.46 C ATOM 123 O ALA A 9 15.948 3.920 -1.611 1.00 0.48 O ATOM 124 CB ALA A 9 13.255 4.405 -3.694 1.00 0.42 C ATOM 0 H ALA A 9 11.826 2.843 -2.461 1.00 0.43 H new ATOM 0 HA ALA A 9 14.545 2.720 -3.268 1.00 0.40 H new ATOM 0 HB1 ALA A 9 14.045 4.979 -4.178 1.00 0.42 H new ATOM 0 HB2 ALA A 9 12.675 3.877 -4.451 1.00 0.42 H new ATOM 0 HB3 ALA A 9 12.602 5.081 -3.142 1.00 0.42 H new ATOM 130 N GLU A 10 14.081 4.857 -0.790 1.00 0.49 N ATOM 131 CA GLU A 10 14.816 5.577 0.300 1.00 0.57 C ATOM 132 C GLU A 10 15.813 4.609 0.964 1.00 0.65 C ATOM 133 O GLU A 10 17.030 4.754 0.991 1.00 0.67 O ATOM 134 CB GLU A 10 13.822 6.095 1.425 1.00 0.70 C ATOM 135 CG GLU A 10 12.938 7.338 1.045 1.00 0.73 C ATOM 136 CD GLU A 10 11.675 7.007 0.237 1.00 1.68 C ATOM 137 OE1 GLU A 10 11.906 6.621 -0.890 1.00 3.45 O ATOM 138 OE2 GLU A 10 10.571 7.149 0.753 1.00 1.69 O ATOM 0 H GLU A 10 13.073 5.010 -0.805 1.00 0.49 H new ATOM 0 HA GLU A 10 15.326 6.429 -0.149 1.00 0.57 H new ATOM 0 HB2 GLU A 10 13.160 5.275 1.703 1.00 0.70 H new ATOM 0 HB3 GLU A 10 14.406 6.347 2.310 1.00 0.70 H new ATOM 0 HG2 GLU A 10 12.643 7.850 1.961 1.00 0.73 H new ATOM 0 HG3 GLU A 10 13.546 8.037 0.471 1.00 0.73 H new ATOM 145 N GLU A 11 15.165 3.607 1.477 1.00 0.64 N ATOM 146 CA GLU A 11 15.852 2.506 2.210 1.00 0.63 C ATOM 147 C GLU A 11 17.056 1.914 1.451 1.00 0.64 C ATOM 148 O GLU A 11 18.155 1.815 1.974 1.00 0.72 O ATOM 149 CB GLU A 11 14.794 1.444 2.508 1.00 0.67 C ATOM 150 CG GLU A 11 13.670 2.109 3.393 1.00 0.70 C ATOM 151 CD GLU A 11 13.397 1.467 4.768 1.00 0.83 C ATOM 152 OE1 GLU A 11 14.334 0.921 5.317 1.00 0.88 O ATOM 153 OE2 GLU A 11 12.246 1.567 5.190 1.00 1.25 O ATOM 0 H GLU A 11 14.152 3.500 1.418 1.00 0.64 H new ATOM 0 HA GLU A 11 16.285 2.902 3.129 1.00 0.63 H new ATOM 0 HB2 GLU A 11 14.370 1.058 1.581 1.00 0.67 H new ATOM 0 HB3 GLU A 11 15.240 0.598 3.031 1.00 0.67 H new ATOM 0 HG2 GLU A 11 13.937 3.154 3.553 1.00 0.70 H new ATOM 0 HG3 GLU A 11 12.740 2.101 2.824 1.00 0.70 H new ATOM 160 N VAL A 12 16.848 1.524 0.216 1.00 0.59 N ATOM 161 CA VAL A 12 17.972 0.943 -0.577 1.00 0.57 C ATOM 162 C VAL A 12 19.068 2.015 -0.650 1.00 0.54 C ATOM 163 O VAL A 12 20.203 1.698 -0.370 1.00 0.52 O ATOM 164 CB VAL A 12 17.437 0.541 -1.980 1.00 0.60 C ATOM 165 CG1 VAL A 12 17.745 1.556 -3.079 1.00 0.68 C ATOM 166 CG2 VAL A 12 18.101 -0.773 -2.386 1.00 0.61 C ATOM 0 H VAL A 12 15.954 1.583 -0.272 1.00 0.59 H new ATOM 0 HA VAL A 12 18.387 0.044 -0.122 1.00 0.57 H new ATOM 0 HB VAL A 12 16.353 0.472 -1.888 1.00 0.60 H new ATOM 0 HG11 VAL A 12 17.338 1.201 -4.026 1.00 0.68 H new ATOM 0 HG12 VAL A 12 17.292 2.515 -2.826 1.00 0.68 H new ATOM 0 HG13 VAL A 12 18.824 1.677 -3.170 1.00 0.68 H new ATOM 0 HG21 VAL A 12 17.740 -1.075 -3.369 1.00 0.61 H new ATOM 0 HG22 VAL A 12 19.182 -0.638 -2.422 1.00 0.61 H new ATOM 0 HG23 VAL A 12 17.856 -1.545 -1.657 1.00 0.61 H new ATOM 176 N LYS A 13 18.728 3.239 -0.994 1.00 0.53 N ATOM 177 CA LYS A 13 19.755 4.312 -1.069 1.00 0.55 C ATOM 178 C LYS A 13 20.364 4.518 0.346 1.00 0.39 C ATOM 179 O LYS A 13 21.394 5.144 0.488 1.00 0.59 O ATOM 180 CB LYS A 13 19.030 5.546 -1.632 1.00 0.56 C ATOM 181 CG LYS A 13 18.902 5.395 -3.189 1.00 0.98 C ATOM 182 CD LYS A 13 19.652 6.501 -4.020 1.00 2.25 C ATOM 183 CE LYS A 13 21.185 6.595 -3.816 1.00 2.68 C ATOM 184 NZ LYS A 13 21.695 7.575 -4.825 1.00 3.71 N ATOM 0 H LYS A 13 17.779 3.533 -1.225 1.00 0.53 H new ATOM 0 HA LYS A 13 20.598 4.079 -1.720 1.00 0.55 H new ATOM 0 HB2 LYS A 13 18.043 5.642 -1.180 1.00 0.56 H new ATOM 0 HB3 LYS A 13 19.582 6.453 -1.385 1.00 0.56 H new ATOM 0 HG2 LYS A 13 19.288 4.418 -3.479 1.00 0.98 H new ATOM 0 HG3 LYS A 13 17.846 5.412 -3.457 1.00 0.98 H new ATOM 0 HD2 LYS A 13 19.458 6.323 -5.078 1.00 2.25 H new ATOM 0 HD3 LYS A 13 19.215 7.469 -3.774 1.00 2.25 H new ATOM 0 HE2 LYS A 13 21.421 6.924 -2.804 1.00 2.68 H new ATOM 0 HE3 LYS A 13 21.654 5.620 -3.952 1.00 2.68 H new ATOM 0 HZ1 LYS A 13 22.726 7.671 -4.725 1.00 3.71 H new ATOM 0 HZ2 LYS A 13 21.470 7.237 -5.782 1.00 3.71 H new ATOM 0 HZ3 LYS A 13 21.244 8.499 -4.670 1.00 3.71 H new ATOM 198 N HIS A 14 19.695 3.999 1.347 1.00 0.21 N ATOM 199 CA HIS A 14 20.216 4.123 2.753 1.00 0.38 C ATOM 200 C HIS A 14 21.063 2.886 3.119 1.00 0.43 C ATOM 201 O HIS A 14 21.754 2.926 4.125 1.00 0.43 O ATOM 202 CB HIS A 14 19.064 4.247 3.778 1.00 0.39 C ATOM 203 CG HIS A 14 18.583 5.685 3.828 1.00 0.49 C ATOM 204 ND1 HIS A 14 17.580 6.108 3.162 1.00 0.37 N ATOM 205 CD2 HIS A 14 19.035 6.797 4.509 1.00 0.74 C ATOM 206 CE1 HIS A 14 17.391 7.373 3.385 1.00 0.51 C ATOM 207 NE2 HIS A 14 18.282 7.841 4.223 1.00 0.75 N ATOM 0 H HIS A 14 18.813 3.495 1.256 1.00 0.21 H new ATOM 0 HA HIS A 14 20.825 5.026 2.792 1.00 0.38 H new ATOM 0 HB2 HIS A 14 18.242 3.587 3.499 1.00 0.39 H new ATOM 0 HB3 HIS A 14 19.405 3.932 4.764 1.00 0.39 H new ATOM 0 HD1 HIS A 14 17.008 5.534 2.543 1.00 0.37 H new ATOM 0 HD2 HIS A 14 19.882 6.810 5.179 1.00 0.74 H new ATOM 0 HE1 HIS A 14 16.603 7.962 2.938 1.00 0.51 H new ATOM 215 N LEU A 15 20.979 1.815 2.359 1.00 0.54 N ATOM 216 CA LEU A 15 21.807 0.585 2.659 1.00 0.57 C ATOM 217 C LEU A 15 23.252 1.058 2.923 1.00 0.84 C ATOM 218 O LEU A 15 23.885 1.628 2.056 1.00 1.16 O ATOM 219 CB LEU A 15 21.827 -0.372 1.452 1.00 0.46 C ATOM 220 CG LEU A 15 20.531 -1.170 1.289 1.00 0.18 C ATOM 221 CD1 LEU A 15 20.544 -1.715 -0.124 1.00 0.72 C ATOM 222 CD2 LEU A 15 20.547 -2.403 2.206 1.00 0.29 C ATOM 0 H LEU A 15 20.374 1.735 1.542 1.00 0.54 H new ATOM 0 HA LEU A 15 21.383 0.059 3.514 1.00 0.57 H new ATOM 0 HB2 LEU A 15 22.007 0.204 0.544 1.00 0.46 H new ATOM 0 HB3 LEU A 15 22.661 -1.065 1.561 1.00 0.46 H new ATOM 0 HG LEU A 15 19.674 -0.536 1.516 1.00 0.18 H new ATOM 0 HD11 LEU A 15 19.638 -2.296 -0.298 1.00 0.72 H new ATOM 0 HD12 LEU A 15 20.586 -0.888 -0.833 1.00 0.72 H new ATOM 0 HD13 LEU A 15 21.417 -2.354 -0.260 1.00 0.72 H new ATOM 0 HD21 LEU A 15 19.620 -2.962 2.080 1.00 0.29 H new ATOM 0 HD22 LEU A 15 21.392 -3.040 1.945 1.00 0.29 H new ATOM 0 HD23 LEU A 15 20.640 -2.083 3.244 1.00 0.29 H new ATOM 234 N LYS A 16 23.762 0.823 4.096 1.00 0.83 N ATOM 235 CA LYS A 16 25.154 1.252 4.437 1.00 0.92 C ATOM 236 C LYS A 16 26.270 0.514 3.638 1.00 0.73 C ATOM 237 O LYS A 16 27.455 0.661 3.867 1.00 0.80 O ATOM 238 CB LYS A 16 25.241 1.059 5.991 1.00 1.06 C ATOM 239 CG LYS A 16 24.091 1.878 6.734 1.00 1.69 C ATOM 240 CD LYS A 16 22.776 1.003 6.953 1.00 2.73 C ATOM 241 CE LYS A 16 21.645 1.740 7.671 1.00 2.20 C ATOM 242 NZ LYS A 16 21.118 2.864 6.819 1.00 3.47 N ATOM 0 H LYS A 16 23.269 0.344 4.849 1.00 0.83 H new ATOM 0 HA LYS A 16 25.340 2.285 4.144 1.00 0.92 H new ATOM 0 HB2 LYS A 16 25.154 0.000 6.235 1.00 1.06 H new ATOM 0 HB3 LYS A 16 26.216 1.389 6.348 1.00 1.06 H new ATOM 0 HG2 LYS A 16 24.460 2.225 7.699 1.00 1.69 H new ATOM 0 HG3 LYS A 16 23.843 2.764 6.150 1.00 1.69 H new ATOM 0 HD2 LYS A 16 22.414 0.662 5.983 1.00 2.73 H new ATOM 0 HD3 LYS A 16 23.036 0.113 7.526 1.00 2.73 H new ATOM 0 HE2 LYS A 16 20.839 1.043 7.902 1.00 2.20 H new ATOM 0 HE3 LYS A 16 22.007 2.135 8.620 1.00 2.20 H new ATOM 0 HZ1 LYS A 16 20.103 2.994 7.004 1.00 3.47 H new ATOM 0 HZ2 LYS A 16 21.627 3.742 7.049 1.00 3.47 H new ATOM 0 HZ3 LYS A 16 21.260 2.634 5.815 1.00 3.47 H new ATOM 256 N THR A 17 25.839 -0.283 2.706 1.00 0.60 N ATOM 257 CA THR A 17 26.732 -1.069 1.828 1.00 0.68 C ATOM 258 C THR A 17 26.016 -1.222 0.507 1.00 1.17 C ATOM 259 O THR A 17 24.801 -1.208 0.467 1.00 2.52 O ATOM 260 CB THR A 17 26.973 -2.409 2.489 1.00 0.50 C ATOM 261 OG1 THR A 17 27.845 -2.081 3.561 1.00 0.51 O ATOM 262 CG2 THR A 17 27.812 -3.356 1.641 1.00 0.83 C ATOM 0 H THR A 17 24.848 -0.425 2.511 1.00 0.60 H new ATOM 0 HA THR A 17 27.698 -0.591 1.664 1.00 0.68 H new ATOM 0 HB THR A 17 26.016 -2.879 2.716 1.00 0.50 H new ATOM 0 HG1 THR A 17 28.066 -2.893 4.063 1.00 0.51 H new ATOM 0 HG21 THR A 17 27.947 -4.298 2.173 1.00 0.83 H new ATOM 0 HG22 THR A 17 27.305 -3.543 0.695 1.00 0.83 H new ATOM 0 HG23 THR A 17 28.786 -2.906 1.448 1.00 0.83 H new ATOM 270 N LYS A 18 26.769 -1.363 -0.542 1.00 0.55 N ATOM 271 CA LYS A 18 26.130 -1.529 -1.863 1.00 0.97 C ATOM 272 C LYS A 18 26.083 -3.055 -2.052 1.00 1.02 C ATOM 273 O LYS A 18 27.125 -3.682 -2.081 1.00 1.28 O ATOM 274 CB LYS A 18 26.993 -0.817 -2.955 1.00 1.24 C ATOM 275 CG LYS A 18 28.464 -1.323 -3.150 1.00 1.39 C ATOM 276 CD LYS A 18 29.443 -0.485 -2.280 1.00 1.80 C ATOM 277 CE LYS A 18 30.865 -1.014 -2.382 1.00 1.40 C ATOM 278 NZ LYS A 18 31.748 0.033 -1.768 1.00 0.98 N ATOM 0 H LYS A 18 27.789 -1.370 -0.540 1.00 0.55 H new ATOM 0 HA LYS A 18 25.136 -1.087 -1.939 1.00 0.97 H new ATOM 0 HB2 LYS A 18 26.474 -0.911 -3.909 1.00 1.24 H new ATOM 0 HB3 LYS A 18 27.031 0.246 -2.716 1.00 1.24 H new ATOM 0 HG2 LYS A 18 28.533 -2.376 -2.876 1.00 1.39 H new ATOM 0 HG3 LYS A 18 28.745 -1.248 -4.200 1.00 1.39 H new ATOM 0 HD2 LYS A 18 29.417 0.557 -2.600 1.00 1.80 H new ATOM 0 HD3 LYS A 18 29.118 -0.507 -1.240 1.00 1.80 H new ATOM 0 HE2 LYS A 18 30.965 -1.964 -1.857 1.00 1.40 H new ATOM 0 HE3 LYS A 18 31.140 -1.194 -3.421 1.00 1.40 H new ATOM 0 HZ1 LYS A 18 32.739 -0.280 -1.811 1.00 0.98 H new ATOM 0 HZ2 LYS A 18 31.643 0.926 -2.291 1.00 0.98 H new ATOM 0 HZ3 LYS A 18 31.474 0.179 -0.775 1.00 0.98 H new ATOM 292 N PRO A 19 24.906 -3.620 -2.130 1.00 0.92 N ATOM 293 CA PRO A 19 24.773 -5.084 -2.318 1.00 0.96 C ATOM 294 C PRO A 19 25.507 -5.599 -3.557 1.00 0.89 C ATOM 295 O PRO A 19 25.982 -4.830 -4.369 1.00 0.91 O ATOM 296 CB PRO A 19 23.274 -5.282 -2.367 1.00 0.85 C ATOM 297 CG PRO A 19 22.776 -4.134 -1.454 1.00 0.89 C ATOM 298 CD PRO A 19 23.575 -2.963 -2.014 1.00 0.91 C ATOM 0 HA PRO A 19 25.242 -5.663 -1.522 1.00 0.96 H new ATOM 0 HB2 PRO A 19 22.883 -5.198 -3.381 1.00 0.85 H new ATOM 0 HB3 PRO A 19 22.978 -6.262 -1.992 1.00 0.85 H new ATOM 0 HG2 PRO A 19 21.700 -3.978 -1.535 1.00 0.89 H new ATOM 0 HG3 PRO A 19 22.993 -4.318 -0.402 1.00 0.89 H new ATOM 0 HD2 PRO A 19 23.193 -2.614 -2.973 1.00 0.91 H new ATOM 0 HD3 PRO A 19 23.587 -2.103 -1.344 1.00 0.91 H new ATOM 306 N ALA A 20 25.590 -6.894 -3.665 1.00 0.74 N ATOM 307 CA ALA A 20 26.289 -7.468 -4.864 1.00 0.58 C ATOM 308 C ALA A 20 25.788 -6.739 -6.159 1.00 0.54 C ATOM 309 O ALA A 20 24.594 -6.545 -6.333 1.00 0.38 O ATOM 310 CB ALA A 20 25.975 -8.974 -4.897 1.00 0.35 C ATOM 0 H ALA A 20 25.218 -7.571 -2.999 1.00 0.74 H new ATOM 0 HA ALA A 20 27.368 -7.324 -4.811 1.00 0.58 H new ATOM 0 HB1 ALA A 20 26.466 -9.429 -5.757 1.00 0.35 H new ATOM 0 HB2 ALA A 20 26.338 -9.442 -3.982 1.00 0.35 H new ATOM 0 HB3 ALA A 20 24.898 -9.119 -4.976 1.00 0.35 H new ATOM 316 N ASP A 21 26.681 -6.331 -7.022 1.00 0.75 N ATOM 317 CA ASP A 21 26.266 -5.638 -8.275 1.00 0.84 C ATOM 318 C ASP A 21 25.039 -6.324 -8.917 1.00 0.65 C ATOM 319 O ASP A 21 24.095 -5.655 -9.251 1.00 0.63 O ATOM 320 CB ASP A 21 27.520 -5.636 -9.178 1.00 1.12 C ATOM 321 CG ASP A 21 28.619 -4.757 -8.565 1.00 1.35 C ATOM 322 OD1 ASP A 21 29.225 -5.235 -7.619 1.00 2.99 O ATOM 323 OD2 ASP A 21 28.785 -3.658 -9.073 1.00 2.20 O ATOM 0 H ASP A 21 27.688 -6.450 -6.910 1.00 0.75 H new ATOM 0 HA ASP A 21 25.933 -4.616 -8.096 1.00 0.84 H new ATOM 0 HB2 ASP A 21 27.888 -6.655 -9.303 1.00 1.12 H new ATOM 0 HB3 ASP A 21 27.261 -5.266 -10.170 1.00 1.12 H new ATOM 328 N GLU A 22 25.027 -7.616 -9.081 1.00 0.58 N ATOM 329 CA GLU A 22 23.849 -8.319 -9.700 1.00 0.68 C ATOM 330 C GLU A 22 22.518 -8.012 -8.970 1.00 0.43 C ATOM 331 O GLU A 22 21.446 -8.044 -9.547 1.00 0.57 O ATOM 332 CB GLU A 22 24.068 -9.871 -9.686 1.00 0.85 C ATOM 333 CG GLU A 22 25.414 -10.326 -10.344 1.00 1.14 C ATOM 334 CD GLU A 22 26.618 -9.773 -9.582 1.00 3.21 C ATOM 335 OE1 GLU A 22 26.616 -9.936 -8.371 1.00 4.08 O ATOM 336 OE2 GLU A 22 27.454 -9.205 -10.258 1.00 4.12 O ATOM 0 H GLU A 22 25.793 -8.233 -8.810 1.00 0.58 H new ATOM 0 HA GLU A 22 23.777 -7.947 -10.722 1.00 0.68 H new ATOM 0 HB2 GLU A 22 24.042 -10.223 -8.655 1.00 0.85 H new ATOM 0 HB3 GLU A 22 23.239 -10.350 -10.208 1.00 0.85 H new ATOM 0 HG2 GLU A 22 25.462 -11.415 -10.364 1.00 1.14 H new ATOM 0 HG3 GLU A 22 25.449 -9.986 -11.379 1.00 1.14 H new ATOM 343 N GLU A 23 22.633 -7.698 -7.706 1.00 0.11 N ATOM 344 CA GLU A 23 21.419 -7.381 -6.875 1.00 0.24 C ATOM 345 C GLU A 23 21.118 -5.915 -7.172 1.00 0.31 C ATOM 346 O GLU A 23 19.990 -5.558 -7.475 1.00 0.30 O ATOM 347 CB GLU A 23 21.700 -7.579 -5.343 1.00 0.42 C ATOM 348 CG GLU A 23 21.887 -9.058 -5.008 1.00 0.36 C ATOM 349 CD GLU A 23 21.790 -9.212 -3.487 1.00 0.37 C ATOM 350 OE1 GLU A 23 22.715 -8.861 -2.765 1.00 0.26 O ATOM 351 OE2 GLU A 23 20.719 -9.694 -3.138 1.00 0.58 O ATOM 0 H GLU A 23 23.520 -7.646 -7.205 1.00 0.11 H new ATOM 0 HA GLU A 23 20.586 -8.041 -7.117 1.00 0.24 H new ATOM 0 HB2 GLU A 23 22.593 -7.022 -5.058 1.00 0.42 H new ATOM 0 HB3 GLU A 23 20.872 -7.173 -4.762 1.00 0.42 H new ATOM 0 HG2 GLU A 23 21.125 -9.660 -5.502 1.00 0.36 H new ATOM 0 HG3 GLU A 23 22.854 -9.411 -5.366 1.00 0.36 H new ATOM 358 N MET A 24 22.150 -5.111 -7.063 1.00 0.46 N ATOM 359 CA MET A 24 22.050 -3.632 -7.346 1.00 0.65 C ATOM 360 C MET A 24 21.287 -3.545 -8.686 1.00 0.65 C ATOM 361 O MET A 24 20.304 -2.860 -8.846 1.00 0.72 O ATOM 362 CB MET A 24 23.495 -3.092 -7.438 1.00 0.69 C ATOM 363 CG MET A 24 24.093 -2.951 -6.031 1.00 0.74 C ATOM 364 SD MET A 24 25.639 -2.023 -5.911 1.00 1.74 S ATOM 365 CE MET A 24 24.902 -0.379 -6.068 1.00 0.74 C ATOM 0 H MET A 24 23.081 -5.420 -6.784 1.00 0.46 H new ATOM 0 HA MET A 24 21.531 -3.044 -6.589 1.00 0.65 H new ATOM 0 HB2 MET A 24 24.107 -3.767 -8.036 1.00 0.69 H new ATOM 0 HB3 MET A 24 23.500 -2.126 -7.943 1.00 0.69 H new ATOM 0 HG2 MET A 24 23.354 -2.469 -5.391 1.00 0.74 H new ATOM 0 HG3 MET A 24 24.261 -3.950 -5.628 1.00 0.74 H new ATOM 0 HE1 MET A 24 25.653 0.379 -5.845 1.00 0.74 H new ATOM 0 HE2 MET A 24 24.537 -0.240 -7.086 1.00 0.74 H new ATOM 0 HE3 MET A 24 24.072 -0.284 -5.368 1.00 0.74 H new ATOM 375 N LEU A 25 21.831 -4.280 -9.613 1.00 0.58 N ATOM 376 CA LEU A 25 21.328 -4.426 -10.989 1.00 0.63 C ATOM 377 C LEU A 25 19.818 -4.707 -10.987 1.00 0.49 C ATOM 378 O LEU A 25 19.067 -3.979 -11.608 1.00 0.71 O ATOM 379 CB LEU A 25 22.134 -5.577 -11.624 1.00 0.62 C ATOM 380 CG LEU A 25 23.435 -5.090 -12.275 1.00 0.96 C ATOM 381 CD1 LEU A 25 24.229 -6.244 -12.897 1.00 1.23 C ATOM 382 CD2 LEU A 25 23.061 -4.165 -13.441 1.00 0.94 C ATOM 0 H LEU A 25 22.676 -4.826 -9.444 1.00 0.58 H new ATOM 0 HA LEU A 25 21.459 -3.511 -11.567 1.00 0.63 H new ATOM 0 HB2 LEU A 25 22.369 -6.318 -10.859 1.00 0.62 H new ATOM 0 HB3 LEU A 25 21.520 -6.076 -12.374 1.00 0.62 H new ATOM 0 HG LEU A 25 24.032 -4.603 -11.504 1.00 0.96 H new ATOM 0 HD11 LEU A 25 25.143 -5.856 -13.347 1.00 1.23 H new ATOM 0 HD12 LEU A 25 24.485 -6.968 -12.124 1.00 1.23 H new ATOM 0 HD13 LEU A 25 23.625 -6.730 -13.663 1.00 1.23 H new ATOM 0 HD21 LEU A 25 23.969 -3.803 -13.924 1.00 0.94 H new ATOM 0 HD22 LEU A 25 22.460 -4.716 -14.165 1.00 0.94 H new ATOM 0 HD23 LEU A 25 22.488 -3.318 -13.064 1.00 0.94 H new ATOM 394 N PHE A 26 19.420 -5.743 -10.282 1.00 0.24 N ATOM 395 CA PHE A 26 17.962 -6.096 -10.222 1.00 0.30 C ATOM 396 C PHE A 26 17.224 -4.799 -9.901 1.00 0.41 C ATOM 397 O PHE A 26 16.374 -4.355 -10.639 1.00 0.59 O ATOM 398 CB PHE A 26 17.740 -7.163 -9.103 1.00 0.24 C ATOM 399 CG PHE A 26 16.247 -7.482 -8.842 1.00 0.35 C ATOM 400 CD1 PHE A 26 15.400 -6.565 -8.236 1.00 2.50 C ATOM 401 CD2 PHE A 26 15.726 -8.706 -9.216 1.00 2.27 C ATOM 402 CE1 PHE A 26 14.078 -6.869 -8.012 1.00 2.58 C ATOM 403 CE2 PHE A 26 14.392 -9.010 -8.992 1.00 2.22 C ATOM 404 CZ PHE A 26 13.569 -8.083 -8.386 1.00 0.60 C ATOM 0 H PHE A 26 20.037 -6.356 -9.749 1.00 0.24 H new ATOM 0 HA PHE A 26 17.597 -6.520 -11.158 1.00 0.30 H new ATOM 0 HB2 PHE A 26 18.257 -8.082 -9.380 1.00 0.24 H new ATOM 0 HB3 PHE A 26 18.195 -6.808 -8.178 1.00 0.24 H new ATOM 0 HD1 PHE A 26 15.784 -5.601 -7.937 1.00 2.50 H new ATOM 0 HD2 PHE A 26 16.367 -9.436 -9.689 1.00 2.27 H new ATOM 0 HE1 PHE A 26 13.435 -6.143 -7.536 1.00 2.58 H new ATOM 0 HE2 PHE A 26 13.998 -9.970 -9.291 1.00 2.22 H new ATOM 0 HZ PHE A 26 12.529 -8.314 -8.208 1.00 0.60 H new ATOM 414 N ILE A 27 17.636 -4.251 -8.792 1.00 0.40 N ATOM 415 CA ILE A 27 17.066 -2.980 -8.258 1.00 0.47 C ATOM 416 C ILE A 27 17.122 -1.785 -9.243 1.00 0.42 C ATOM 417 O ILE A 27 16.075 -1.213 -9.449 1.00 0.64 O ATOM 418 CB ILE A 27 17.832 -2.796 -6.903 1.00 0.46 C ATOM 419 CG1 ILE A 27 17.196 -3.729 -5.811 1.00 0.66 C ATOM 420 CG2 ILE A 27 17.883 -1.356 -6.418 1.00 0.40 C ATOM 421 CD1 ILE A 27 15.785 -3.270 -5.383 1.00 0.53 C ATOM 0 H ILE A 27 18.374 -4.648 -8.211 1.00 0.40 H new ATOM 0 HA ILE A 27 15.988 -3.023 -8.105 1.00 0.47 H new ATOM 0 HB ILE A 27 18.869 -3.080 -7.083 1.00 0.46 H new ATOM 0 HG12 ILE A 27 17.141 -4.747 -6.196 1.00 0.66 H new ATOM 0 HG13 ILE A 27 17.846 -3.754 -4.937 1.00 0.66 H new ATOM 0 HG21 ILE A 27 18.429 -1.309 -5.476 1.00 0.40 H new ATOM 0 HG22 ILE A 27 18.388 -0.739 -7.161 1.00 0.40 H new ATOM 0 HG23 ILE A 27 16.869 -0.986 -6.269 1.00 0.40 H new ATOM 0 HD11 ILE A 27 15.394 -3.951 -4.627 1.00 0.53 H new ATOM 0 HD12 ILE A 27 15.840 -2.263 -4.970 1.00 0.53 H new ATOM 0 HD13 ILE A 27 15.123 -3.272 -6.249 1.00 0.53 H new ATOM 433 N TYR A 28 18.245 -1.413 -9.823 1.00 0.38 N ATOM 434 CA TYR A 28 18.257 -0.247 -10.784 1.00 0.43 C ATOM 435 C TYR A 28 17.110 -0.424 -11.782 1.00 0.48 C ATOM 436 O TYR A 28 16.210 0.376 -11.851 1.00 0.46 O ATOM 437 CB TYR A 28 19.601 -0.190 -11.553 1.00 0.70 C ATOM 438 CG TYR A 28 19.535 0.947 -12.599 1.00 0.81 C ATOM 439 CD1 TYR A 28 19.644 2.242 -12.169 1.00 2.61 C ATOM 440 CD2 TYR A 28 19.358 0.721 -13.954 1.00 2.42 C ATOM 441 CE1 TYR A 28 19.576 3.300 -13.053 1.00 2.66 C ATOM 442 CE2 TYR A 28 19.293 1.791 -14.843 1.00 2.59 C ATOM 443 CZ TYR A 28 19.399 3.094 -14.390 1.00 1.35 C ATOM 444 OH TYR A 28 19.318 4.174 -15.254 1.00 1.70 O ATOM 0 H TYR A 28 19.150 -1.861 -9.676 1.00 0.38 H new ATOM 0 HA TYR A 28 18.137 0.681 -10.225 1.00 0.43 H new ATOM 0 HB2 TYR A 28 20.424 -0.017 -10.860 1.00 0.70 H new ATOM 0 HB3 TYR A 28 19.794 -1.143 -12.045 1.00 0.70 H new ATOM 0 HD1 TYR A 28 19.786 2.440 -11.117 1.00 2.61 H new ATOM 0 HD2 TYR A 28 19.270 -0.290 -14.323 1.00 2.42 H new ATOM 0 HE1 TYR A 28 19.665 4.309 -12.679 1.00 2.66 H new ATOM 0 HE2 TYR A 28 19.158 1.602 -15.898 1.00 2.59 H new ATOM 0 HH TYR A 28 19.656 3.913 -16.136 1.00 1.70 H new ATOM 454 N SER A 29 17.174 -1.488 -12.513 1.00 0.54 N ATOM 455 CA SER A 29 16.124 -1.787 -13.525 1.00 0.60 C ATOM 456 C SER A 29 14.739 -1.932 -12.841 1.00 0.32 C ATOM 457 O SER A 29 13.842 -1.208 -13.207 1.00 0.43 O ATOM 458 CB SER A 29 16.574 -3.082 -14.292 1.00 0.86 C ATOM 459 OG SER A 29 17.834 -3.448 -13.738 1.00 2.03 O ATOM 0 H SER A 29 17.921 -2.180 -12.456 1.00 0.54 H new ATOM 0 HA SER A 29 16.012 -0.974 -14.242 1.00 0.60 H new ATOM 0 HB2 SER A 29 15.845 -3.883 -14.167 1.00 0.86 H new ATOM 0 HB3 SER A 29 16.658 -2.892 -15.362 1.00 0.86 H new ATOM 0 HG SER A 29 17.698 -3.852 -12.855 1.00 2.03 H new ATOM 465 N HIS A 30 14.534 -2.794 -11.876 1.00 0.15 N ATOM 466 CA HIS A 30 13.175 -2.897 -11.245 1.00 0.20 C ATOM 467 C HIS A 30 12.699 -1.484 -10.902 1.00 0.31 C ATOM 468 O HIS A 30 11.610 -1.113 -11.284 1.00 0.46 O ATOM 469 CB HIS A 30 13.291 -3.793 -10.004 1.00 0.13 C ATOM 470 CG HIS A 30 12.971 -5.204 -10.484 1.00 0.09 C ATOM 471 ND1 HIS A 30 11.795 -5.730 -10.422 1.00 0.10 N ATOM 472 CD2 HIS A 30 13.750 -6.184 -11.066 1.00 0.45 C ATOM 473 CE1 HIS A 30 11.818 -6.926 -10.917 1.00 0.15 C ATOM 474 NE2 HIS A 30 13.019 -7.248 -11.330 1.00 0.49 N ATOM 0 H HIS A 30 15.239 -3.427 -11.498 1.00 0.15 H new ATOM 0 HA HIS A 30 12.442 -3.344 -11.916 1.00 0.20 H new ATOM 0 HB2 HIS A 30 14.292 -3.742 -9.577 1.00 0.13 H new ATOM 0 HB3 HIS A 30 12.596 -3.477 -9.226 1.00 0.13 H new ATOM 0 HD2 HIS A 30 14.806 -6.092 -11.275 1.00 0.45 H new ATOM 0 HE1 HIS A 30 10.957 -7.575 -10.981 1.00 0.15 H new ATOM 0 HE2 HIS A 30 13.320 -8.123 -11.759 1.00 0.49 H new ATOM 482 N TYR A 31 13.510 -0.735 -10.206 1.00 0.27 N ATOM 483 CA TYR A 31 13.148 0.659 -9.835 1.00 0.30 C ATOM 484 C TYR A 31 12.773 1.356 -11.159 1.00 0.42 C ATOM 485 O TYR A 31 11.641 1.732 -11.362 1.00 0.70 O ATOM 486 CB TYR A 31 14.398 1.186 -9.148 1.00 0.30 C ATOM 487 CG TYR A 31 14.360 2.646 -8.704 1.00 0.33 C ATOM 488 CD1 TYR A 31 13.518 3.140 -7.724 1.00 0.41 C ATOM 489 CD2 TYR A 31 15.239 3.496 -9.316 1.00 0.59 C ATOM 490 CE1 TYR A 31 13.574 4.484 -7.372 1.00 0.71 C ATOM 491 CE2 TYR A 31 15.292 4.822 -8.968 1.00 0.81 C ATOM 492 CZ TYR A 31 14.471 5.331 -8.000 1.00 0.88 C ATOM 493 OH TYR A 31 14.607 6.674 -7.709 1.00 1.29 O ATOM 0 H TYR A 31 14.425 -1.038 -9.873 1.00 0.27 H new ATOM 0 HA TYR A 31 12.303 0.802 -9.161 1.00 0.30 H new ATOM 0 HB2 TYR A 31 14.594 0.567 -8.273 1.00 0.30 H new ATOM 0 HB3 TYR A 31 15.242 1.056 -9.826 1.00 0.30 H new ATOM 0 HD1 TYR A 31 12.817 2.482 -7.232 1.00 0.41 H new ATOM 0 HD2 TYR A 31 15.900 3.119 -10.083 1.00 0.59 H new ATOM 0 HE1 TYR A 31 12.916 4.868 -6.607 1.00 0.71 H new ATOM 0 HE2 TYR A 31 15.993 5.474 -9.467 1.00 0.81 H new ATOM 0 HH TYR A 31 15.302 7.063 -8.279 1.00 1.29 H new ATOM 503 N LYS A 32 13.711 1.505 -12.044 1.00 0.31 N ATOM 504 CA LYS A 32 13.502 2.163 -13.389 1.00 0.37 C ATOM 505 C LYS A 32 12.196 1.744 -14.124 1.00 0.54 C ATOM 506 O LYS A 32 11.502 2.503 -14.768 1.00 1.02 O ATOM 507 CB LYS A 32 14.738 1.820 -14.193 1.00 0.25 C ATOM 508 CG LYS A 32 15.992 2.496 -13.513 1.00 1.14 C ATOM 509 CD LYS A 32 16.060 4.040 -13.714 1.00 0.79 C ATOM 510 CE LYS A 32 16.084 4.463 -15.181 1.00 3.18 C ATOM 511 NZ LYS A 32 16.945 3.487 -15.900 1.00 4.31 N ATOM 0 H LYS A 32 14.668 1.185 -11.894 1.00 0.31 H new ATOM 0 HA LYS A 32 13.369 3.237 -13.258 1.00 0.37 H new ATOM 0 HB2 LYS A 32 14.870 0.739 -14.238 1.00 0.25 H new ATOM 0 HB3 LYS A 32 14.630 2.171 -15.219 1.00 0.25 H new ATOM 0 HG2 LYS A 32 15.976 2.278 -12.445 1.00 1.14 H new ATOM 0 HG3 LYS A 32 16.899 2.046 -13.916 1.00 1.14 H new ATOM 0 HD2 LYS A 32 15.201 4.500 -13.225 1.00 0.79 H new ATOM 0 HD3 LYS A 32 16.952 4.424 -13.219 1.00 0.79 H new ATOM 0 HE2 LYS A 32 15.077 4.469 -15.597 1.00 3.18 H new ATOM 0 HE3 LYS A 32 16.478 5.474 -15.285 1.00 3.18 H new ATOM 0 HZ1 LYS A 32 17.030 3.768 -16.898 1.00 4.31 H new ATOM 0 HZ2 LYS A 32 17.889 3.469 -15.463 1.00 4.31 H new ATOM 0 HZ3 LYS A 32 16.519 2.540 -15.843 1.00 4.31 H new ATOM 525 N GLN A 33 11.898 0.489 -14.062 1.00 0.31 N ATOM 526 CA GLN A 33 10.658 -0.086 -14.702 1.00 0.40 C ATOM 527 C GLN A 33 9.454 0.396 -13.868 1.00 0.47 C ATOM 528 O GLN A 33 8.492 0.966 -14.364 1.00 0.63 O ATOM 529 CB GLN A 33 10.817 -1.624 -14.684 1.00 0.43 C ATOM 530 CG GLN A 33 11.878 -2.187 -15.715 1.00 1.50 C ATOM 531 CD GLN A 33 13.203 -1.430 -15.815 1.00 4.24 C ATOM 532 OE1 GLN A 33 14.300 -1.938 -15.751 1.00 6.20 O ATOM 533 NE2 GLN A 33 13.194 -0.163 -16.003 1.00 4.95 N ATOM 0 H GLN A 33 12.473 -0.202 -13.580 1.00 0.31 H new ATOM 0 HA GLN A 33 10.506 0.232 -15.733 1.00 0.40 H new ATOM 0 HB2 GLN A 33 11.105 -1.935 -13.680 1.00 0.43 H new ATOM 0 HB3 GLN A 33 9.849 -2.079 -14.893 1.00 0.43 H new ATOM 0 HG2 GLN A 33 12.096 -3.221 -15.449 1.00 1.50 H new ATOM 0 HG3 GLN A 33 11.418 -2.202 -16.703 1.00 1.50 H new ATOM 0 HE21 GLN A 33 12.307 0.337 -16.068 1.00 4.95 H new ATOM 0 HE22 GLN A 33 14.074 0.346 -16.088 1.00 4.95 H new ATOM 542 N ALA A 34 9.551 0.168 -12.594 1.00 0.38 N ATOM 543 CA ALA A 34 8.478 0.585 -11.668 1.00 0.40 C ATOM 544 C ALA A 34 8.365 2.130 -11.657 1.00 0.34 C ATOM 545 O ALA A 34 7.379 2.647 -11.168 1.00 0.30 O ATOM 546 CB ALA A 34 8.857 0.011 -10.316 1.00 0.47 C ATOM 0 H ALA A 34 10.343 -0.298 -12.150 1.00 0.38 H new ATOM 0 HA ALA A 34 7.495 0.219 -11.964 1.00 0.40 H new ATOM 0 HB1 ALA A 34 8.101 0.284 -9.580 1.00 0.47 H new ATOM 0 HB2 ALA A 34 8.920 -1.075 -10.386 1.00 0.47 H new ATOM 0 HB3 ALA A 34 9.823 0.411 -10.009 1.00 0.47 H new ATOM 552 N THR A 35 9.369 2.794 -12.194 1.00 0.46 N ATOM 553 CA THR A 35 9.411 4.316 -12.263 1.00 0.59 C ATOM 554 C THR A 35 9.321 4.975 -13.656 1.00 0.58 C ATOM 555 O THR A 35 8.377 5.681 -13.939 1.00 0.55 O ATOM 556 CB THR A 35 10.717 4.836 -11.637 1.00 0.76 C ATOM 557 OG1 THR A 35 11.708 4.123 -12.363 1.00 0.83 O ATOM 558 CG2 THR A 35 10.894 4.443 -10.175 1.00 0.57 C ATOM 0 H THR A 35 10.187 2.340 -12.601 1.00 0.46 H new ATOM 0 HA THR A 35 8.503 4.594 -11.727 1.00 0.59 H new ATOM 0 HB THR A 35 10.752 5.925 -11.678 1.00 0.76 H new ATOM 0 HG1 THR A 35 11.907 3.280 -11.904 1.00 0.83 H new ATOM 0 HG21 THR A 35 11.836 4.844 -9.802 1.00 0.57 H new ATOM 0 HG22 THR A 35 10.069 4.847 -9.587 1.00 0.57 H new ATOM 0 HG23 THR A 35 10.903 3.356 -10.089 1.00 0.57 H new ATOM 566 N VAL A 36 10.278 4.728 -14.506 1.00 0.63 N ATOM 567 CA VAL A 36 10.306 5.328 -15.895 1.00 0.65 C ATOM 568 C VAL A 36 9.395 4.543 -16.865 1.00 0.84 C ATOM 569 O VAL A 36 8.557 5.095 -17.550 1.00 0.94 O ATOM 570 CB VAL A 36 11.829 5.347 -16.414 1.00 0.69 C ATOM 571 CG1 VAL A 36 11.921 6.087 -17.787 1.00 0.92 C ATOM 572 CG2 VAL A 36 12.670 6.143 -15.404 1.00 0.55 C ATOM 0 H VAL A 36 11.070 4.119 -14.301 1.00 0.63 H new ATOM 0 HA VAL A 36 9.920 6.347 -15.858 1.00 0.65 H new ATOM 0 HB VAL A 36 12.185 4.322 -16.520 1.00 0.69 H new ATOM 0 HG11 VAL A 36 12.956 6.094 -18.128 1.00 0.92 H new ATOM 0 HG12 VAL A 36 11.301 5.572 -18.520 1.00 0.92 H new ATOM 0 HG13 VAL A 36 11.571 7.113 -17.672 1.00 0.92 H new ATOM 0 HG21 VAL A 36 13.708 6.169 -15.736 1.00 0.55 H new ATOM 0 HG22 VAL A 36 12.286 7.161 -15.333 1.00 0.55 H new ATOM 0 HG23 VAL A 36 12.613 5.664 -14.426 1.00 0.55 H new ATOM 582 N GLY A 37 9.568 3.249 -16.883 1.00 0.93 N ATOM 583 CA GLY A 37 8.756 2.332 -17.783 1.00 1.16 C ATOM 584 C GLY A 37 9.616 1.634 -18.829 1.00 0.95 C ATOM 585 O GLY A 37 10.565 0.969 -18.476 1.00 0.90 O ATOM 0 H GLY A 37 10.252 2.763 -16.302 1.00 0.93 H new ATOM 0 HA2 GLY A 37 8.251 1.583 -17.173 1.00 1.16 H new ATOM 0 HA3 GLY A 37 7.980 2.912 -18.283 1.00 1.16 H new ATOM 589 N ASP A 38 9.281 1.757 -20.079 1.00 0.90 N ATOM 590 CA ASP A 38 10.097 1.105 -21.144 1.00 0.75 C ATOM 591 C ASP A 38 11.436 1.823 -21.374 1.00 1.19 C ATOM 592 O ASP A 38 11.701 2.832 -20.758 1.00 1.68 O ATOM 593 CB ASP A 38 9.238 1.110 -22.449 1.00 1.13 C ATOM 594 CG ASP A 38 8.181 0.036 -22.419 1.00 1.55 C ATOM 595 OD1 ASP A 38 7.599 -0.034 -21.351 1.00 1.00 O ATOM 596 OD2 ASP A 38 8.043 -0.629 -23.444 1.00 2.54 O ATOM 0 H ASP A 38 8.474 2.283 -20.414 1.00 0.90 H new ATOM 0 HA ASP A 38 10.349 0.089 -20.841 1.00 0.75 H new ATOM 0 HB2 ASP A 38 8.765 2.084 -22.571 1.00 1.13 H new ATOM 0 HB3 ASP A 38 9.886 0.960 -23.313 1.00 1.13 H new ATOM 601 N ILE A 39 12.259 1.314 -22.246 1.00 1.23 N ATOM 602 CA ILE A 39 13.551 2.008 -22.479 1.00 1.62 C ATOM 603 C ILE A 39 13.370 2.598 -23.879 1.00 2.42 C ATOM 604 O ILE A 39 12.783 1.990 -24.759 1.00 2.67 O ATOM 605 CB ILE A 39 14.724 0.965 -22.412 1.00 1.24 C ATOM 606 CG1 ILE A 39 16.010 1.754 -22.051 1.00 1.15 C ATOM 607 CG2 ILE A 39 14.996 0.291 -23.796 1.00 1.34 C ATOM 608 CD1 ILE A 39 17.048 0.752 -21.523 1.00 0.75 C ATOM 0 H ILE A 39 12.099 0.469 -22.794 1.00 1.23 H new ATOM 0 HA ILE A 39 13.799 2.774 -21.744 1.00 1.62 H new ATOM 0 HB ILE A 39 14.457 0.194 -21.689 1.00 1.24 H new ATOM 0 HG12 ILE A 39 16.395 2.276 -22.927 1.00 1.15 H new ATOM 0 HG13 ILE A 39 15.794 2.511 -21.298 1.00 1.15 H new ATOM 0 HG21 ILE A 39 15.815 -0.422 -23.699 1.00 1.34 H new ATOM 0 HG22 ILE A 39 14.099 -0.230 -24.129 1.00 1.34 H new ATOM 0 HG23 ILE A 39 15.264 1.055 -24.526 1.00 1.34 H new ATOM 0 HD11 ILE A 39 17.964 1.281 -21.261 1.00 0.75 H new ATOM 0 HD12 ILE A 39 16.653 0.251 -20.639 1.00 0.75 H new ATOM 0 HD13 ILE A 39 17.264 0.012 -22.294 1.00 0.75 H new ATOM 620 N ASN A 40 13.874 3.787 -24.045 1.00 3.07 N ATOM 621 CA ASN A 40 13.792 4.505 -25.354 1.00 3.99 C ATOM 622 C ASN A 40 15.196 5.006 -25.772 1.00 4.54 C ATOM 623 O ASN A 40 15.342 5.853 -26.630 1.00 5.67 O ATOM 624 CB ASN A 40 12.772 5.673 -25.184 1.00 4.34 C ATOM 625 CG ASN A 40 12.958 6.543 -23.935 1.00 4.37 C ATOM 626 OD1 ASN A 40 13.979 6.471 -23.141 1.00 5.19 O flip ATOM 627 ND2 ASN A 40 12.127 7.364 -23.632 1.00 4.59 N flip ATOM 0 H ASN A 40 14.353 4.308 -23.310 1.00 3.07 H new ATOM 0 HA ASN A 40 13.449 3.845 -26.151 1.00 3.99 H new ATOM 0 HB2 ASN A 40 12.833 6.314 -26.063 1.00 4.34 H new ATOM 0 HB3 ASN A 40 11.766 5.253 -25.165 1.00 4.34 H new ATOM 0 HD21 ASN A 40 11.293 7.482 -24.207 1.00 4.59 H new ATOM 0 HD22 ASN A 40 12.259 7.940 -22.801 1.00 4.59 H new ATOM 634 N THR A 41 16.182 4.443 -25.117 1.00 3.69 N ATOM 635 CA THR A 41 17.625 4.788 -25.381 1.00 4.06 C ATOM 636 C THR A 41 18.281 3.496 -25.910 1.00 3.87 C ATOM 637 O THR A 41 17.612 2.484 -25.980 1.00 3.52 O ATOM 638 CB THR A 41 18.351 5.258 -24.038 1.00 3.89 C ATOM 639 OG1 THR A 41 19.106 4.156 -23.536 1.00 3.19 O ATOM 640 CG2 THR A 41 17.383 5.471 -22.852 1.00 3.69 C ATOM 0 H THR A 41 16.048 3.740 -24.390 1.00 3.69 H new ATOM 0 HA THR A 41 17.708 5.607 -26.095 1.00 4.06 H new ATOM 0 HB THR A 41 18.890 6.165 -24.310 1.00 3.89 H new ATOM 0 HG1 THR A 41 19.145 4.205 -22.558 1.00 3.19 H new ATOM 0 HG21 THR A 41 17.947 5.789 -21.975 1.00 3.69 H new ATOM 0 HG22 THR A 41 16.653 6.237 -23.112 1.00 3.69 H new ATOM 0 HG23 THR A 41 16.866 4.537 -22.632 1.00 3.69 H new ATOM 648 N GLU A 42 19.537 3.549 -26.268 1.00 4.29 N ATOM 649 CA GLU A 42 20.255 2.343 -26.785 1.00 4.31 C ATOM 650 C GLU A 42 21.419 1.974 -25.822 1.00 3.46 C ATOM 651 O GLU A 42 21.813 2.779 -25.004 1.00 3.32 O ATOM 652 CB GLU A 42 20.779 2.681 -28.177 1.00 5.59 C ATOM 653 CG GLU A 42 21.941 3.705 -28.061 1.00 5.98 C ATOM 654 CD GLU A 42 22.545 4.008 -29.422 1.00 6.87 C ATOM 655 OE1 GLU A 42 21.788 4.464 -30.260 1.00 7.79 O ATOM 656 OE2 GLU A 42 23.732 3.765 -29.522 1.00 6.73 O ATOM 0 H GLU A 42 20.108 4.393 -26.223 1.00 4.29 H new ATOM 0 HA GLU A 42 19.589 1.482 -26.842 1.00 4.31 H new ATOM 0 HB2 GLU A 42 21.127 1.776 -28.676 1.00 5.59 H new ATOM 0 HB3 GLU A 42 19.977 3.094 -28.788 1.00 5.59 H new ATOM 0 HG2 GLU A 42 21.573 4.627 -27.610 1.00 5.98 H new ATOM 0 HG3 GLU A 42 22.711 3.311 -27.398 1.00 5.98 H new ATOM 663 N ARG A 43 21.873 0.760 -25.977 1.00 3.31 N ATOM 664 CA ARG A 43 22.993 0.106 -25.211 1.00 2.57 C ATOM 665 C ARG A 43 24.236 1.032 -24.940 1.00 2.16 C ATOM 666 O ARG A 43 25.113 1.115 -25.776 1.00 1.86 O ATOM 667 CB ARG A 43 23.280 -1.148 -26.066 1.00 2.51 C ATOM 668 CG ARG A 43 24.115 -2.221 -25.334 1.00 2.08 C ATOM 669 CD ARG A 43 24.068 -3.472 -26.235 1.00 2.26 C ATOM 670 NE ARG A 43 24.882 -4.567 -25.595 1.00 2.05 N ATOM 671 CZ ARG A 43 24.369 -5.690 -25.263 1.00 1.95 C ATOM 672 NH1 ARG A 43 23.733 -5.753 -24.183 1.00 2.47 N ATOM 673 NH2 ARG A 43 24.526 -6.685 -26.027 1.00 3.34 N ATOM 0 H ARG A 43 21.473 0.132 -26.674 1.00 3.31 H new ATOM 0 HA ARG A 43 22.725 -0.138 -24.183 1.00 2.57 H new ATOM 0 HB2 ARG A 43 22.333 -1.588 -26.379 1.00 2.51 H new ATOM 0 HB3 ARG A 43 23.806 -0.847 -26.972 1.00 2.51 H new ATOM 0 HG2 ARG A 43 25.141 -1.884 -25.185 1.00 2.08 H new ATOM 0 HG3 ARG A 43 23.702 -2.433 -24.348 1.00 2.08 H new ATOM 0 HD2 ARG A 43 23.037 -3.799 -26.371 1.00 2.26 H new ATOM 0 HD3 ARG A 43 24.462 -3.239 -27.224 1.00 2.26 H new ATOM 0 HE ARG A 43 25.874 -4.407 -25.421 1.00 2.05 H new ATOM 0 HH11 ARG A 43 23.637 -4.923 -23.598 1.00 2.47 H new ATOM 0 HH12 ARG A 43 23.312 -6.634 -23.890 1.00 2.47 H new ATOM 0 HH21 ARG A 43 25.055 -6.584 -26.893 1.00 3.34 H new ATOM 0 HH22 ARG A 43 24.123 -7.588 -25.777 1.00 3.34 H new ATOM 687 N PRO A 44 24.291 1.684 -23.790 1.00 2.29 N ATOM 688 CA PRO A 44 25.401 2.620 -23.363 1.00 2.28 C ATOM 689 C PRO A 44 26.918 2.388 -23.658 1.00 1.86 C ATOM 690 O PRO A 44 27.419 1.276 -23.726 1.00 1.32 O ATOM 691 CB PRO A 44 25.165 2.770 -21.847 1.00 2.55 C ATOM 692 CG PRO A 44 23.620 2.725 -21.748 1.00 2.98 C ATOM 693 CD PRO A 44 23.255 1.576 -22.713 1.00 2.72 C ATOM 0 HA PRO A 44 25.293 3.481 -24.022 1.00 2.28 H new ATOM 0 HB2 PRO A 44 25.632 1.964 -21.281 1.00 2.55 H new ATOM 0 HB3 PRO A 44 25.570 3.706 -21.463 1.00 2.55 H new ATOM 0 HG2 PRO A 44 23.285 2.522 -20.731 1.00 2.98 H new ATOM 0 HG3 PRO A 44 23.167 3.669 -22.051 1.00 2.98 H new ATOM 0 HD2 PRO A 44 23.292 0.607 -22.216 1.00 2.72 H new ATOM 0 HD3 PRO A 44 22.247 1.691 -23.112 1.00 2.72 H new ATOM 701 N GLY A 45 27.644 3.473 -23.818 1.00 2.30 N ATOM 702 CA GLY A 45 29.127 3.386 -24.093 1.00 2.36 C ATOM 703 C GLY A 45 29.914 4.265 -23.114 1.00 3.46 C ATOM 704 O GLY A 45 30.852 4.922 -23.518 1.00 4.72 O ATOM 0 H GLY A 45 27.275 4.423 -23.770 1.00 2.30 H new ATOM 0 HA2 GLY A 45 29.458 2.351 -24.006 1.00 2.36 H new ATOM 0 HA3 GLY A 45 29.331 3.701 -25.116 1.00 2.36 H new ATOM 708 N MET A 46 29.513 4.259 -21.861 1.00 3.46 N ATOM 709 CA MET A 46 30.256 5.104 -20.864 1.00 4.52 C ATOM 710 C MET A 46 31.293 4.309 -20.040 1.00 4.08 C ATOM 711 O MET A 46 32.474 4.567 -20.120 1.00 4.82 O ATOM 712 CB MET A 46 29.188 5.832 -19.910 1.00 5.45 C ATOM 713 CG MET A 46 28.475 4.965 -18.821 1.00 6.36 C ATOM 714 SD MET A 46 27.396 5.826 -17.645 1.00 7.12 S ATOM 715 CE MET A 46 25.958 6.159 -18.693 1.00 6.94 C ATOM 0 H MET A 46 28.727 3.723 -21.492 1.00 3.46 H new ATOM 0 HA MET A 46 30.835 5.845 -21.415 1.00 4.52 H new ATOM 0 HB2 MET A 46 29.695 6.654 -19.405 1.00 5.45 H new ATOM 0 HB3 MET A 46 28.419 6.273 -20.544 1.00 5.45 H new ATOM 0 HG2 MET A 46 27.881 4.206 -19.330 1.00 6.36 H new ATOM 0 HG3 MET A 46 29.243 4.440 -18.252 1.00 6.36 H new ATOM 0 HE1 MET A 46 25.200 6.687 -18.114 1.00 6.94 H new ATOM 0 HE2 MET A 46 26.260 6.774 -19.541 1.00 6.94 H new ATOM 0 HE3 MET A 46 25.546 5.217 -19.056 1.00 6.94 H new ATOM 725 N LEU A 47 30.848 3.365 -19.268 1.00 3.04 N ATOM 726 CA LEU A 47 31.784 2.550 -18.430 1.00 2.77 C ATOM 727 C LEU A 47 31.152 1.159 -18.419 1.00 2.53 C ATOM 728 O LEU A 47 30.822 0.601 -17.387 1.00 3.73 O ATOM 729 CB LEU A 47 31.822 3.274 -17.072 1.00 2.73 C ATOM 730 CG LEU A 47 33.192 3.143 -16.396 1.00 1.98 C ATOM 731 CD1 LEU A 47 33.095 3.834 -15.036 1.00 3.88 C ATOM 732 CD2 LEU A 47 33.518 1.683 -16.166 1.00 0.96 C ATOM 0 H LEU A 47 29.864 3.114 -19.175 1.00 3.04 H new ATOM 0 HA LEU A 47 32.816 2.444 -18.766 1.00 2.77 H new ATOM 0 HB2 LEU A 47 31.587 4.329 -17.215 1.00 2.73 H new ATOM 0 HB3 LEU A 47 31.053 2.862 -16.419 1.00 2.73 H new ATOM 0 HG LEU A 47 33.965 3.588 -17.022 1.00 1.98 H new ATOM 0 HD11 LEU A 47 34.054 3.762 -14.522 1.00 3.88 H new ATOM 0 HD12 LEU A 47 32.838 4.884 -15.179 1.00 3.88 H new ATOM 0 HD13 LEU A 47 32.325 3.350 -14.436 1.00 3.88 H new ATOM 0 HD21 LEU A 47 34.493 1.599 -15.685 1.00 0.96 H new ATOM 0 HD22 LEU A 47 32.758 1.237 -15.525 1.00 0.96 H new ATOM 0 HD23 LEU A 47 33.539 1.160 -17.122 1.00 0.96 H new ATOM 744 N ASP A 48 31.023 0.662 -19.623 1.00 1.72 N ATOM 745 CA ASP A 48 30.432 -0.665 -19.919 1.00 1.44 C ATOM 746 C ASP A 48 29.674 -1.455 -18.873 1.00 1.49 C ATOM 747 O ASP A 48 28.461 -1.464 -18.947 1.00 1.68 O ATOM 748 CB ASP A 48 31.597 -1.466 -20.503 1.00 1.76 C ATOM 749 CG ASP A 48 31.524 -1.264 -21.989 1.00 1.10 C ATOM 750 OD1 ASP A 48 31.650 -0.140 -22.436 1.00 2.66 O ATOM 751 OD2 ASP A 48 31.299 -2.250 -22.650 1.00 1.68 O ATOM 0 H ASP A 48 31.326 1.162 -20.459 1.00 1.72 H new ATOM 0 HA ASP A 48 29.583 -0.471 -20.574 1.00 1.44 H new ATOM 0 HB2 ASP A 48 32.550 -1.116 -20.107 1.00 1.76 H new ATOM 0 HB3 ASP A 48 31.513 -2.522 -20.247 1.00 1.76 H new ATOM 756 N PHE A 49 30.306 -2.088 -17.930 1.00 1.32 N ATOM 757 CA PHE A 49 29.462 -2.848 -16.953 1.00 1.40 C ATOM 758 C PHE A 49 28.504 -1.937 -16.180 1.00 1.37 C ATOM 759 O PHE A 49 27.391 -2.304 -15.868 1.00 1.30 O ATOM 760 CB PHE A 49 30.403 -3.636 -15.993 1.00 1.39 C ATOM 761 CG PHE A 49 31.041 -2.772 -14.904 1.00 1.54 C ATOM 762 CD1 PHE A 49 31.916 -1.749 -15.211 1.00 3.11 C ATOM 763 CD2 PHE A 49 30.733 -3.025 -13.579 1.00 2.40 C ATOM 764 CE1 PHE A 49 32.479 -0.989 -14.209 1.00 3.21 C ATOM 765 CE2 PHE A 49 31.294 -2.268 -12.573 1.00 2.48 C ATOM 766 CZ PHE A 49 32.165 -1.250 -12.885 1.00 1.85 C ATOM 0 H PHE A 49 31.316 -2.119 -17.789 1.00 1.32 H new ATOM 0 HA PHE A 49 28.829 -3.545 -17.501 1.00 1.40 H new ATOM 0 HB2 PHE A 49 29.835 -4.438 -15.521 1.00 1.39 H new ATOM 0 HB3 PHE A 49 31.193 -4.106 -16.579 1.00 1.39 H new ATOM 0 HD1 PHE A 49 32.161 -1.543 -16.243 1.00 3.11 H new ATOM 0 HD2 PHE A 49 30.048 -3.822 -13.331 1.00 2.40 H new ATOM 0 HE1 PHE A 49 33.164 -0.191 -14.455 1.00 3.21 H new ATOM 0 HE2 PHE A 49 31.050 -2.474 -11.541 1.00 2.48 H new ATOM 0 HZ PHE A 49 32.604 -0.654 -12.098 1.00 1.85 H new ATOM 776 N LYS A 50 28.934 -0.739 -15.908 1.00 1.44 N ATOM 777 CA LYS A 50 28.073 0.232 -15.143 1.00 1.45 C ATOM 778 C LYS A 50 27.034 0.952 -16.062 1.00 1.31 C ATOM 779 O LYS A 50 26.276 1.817 -15.652 1.00 1.38 O ATOM 780 CB LYS A 50 29.070 1.216 -14.446 1.00 1.76 C ATOM 781 CG LYS A 50 28.296 2.361 -13.755 1.00 2.40 C ATOM 782 CD LYS A 50 29.162 3.152 -12.721 1.00 2.05 C ATOM 783 CE LYS A 50 28.493 4.527 -12.508 1.00 4.60 C ATOM 784 NZ LYS A 50 29.079 5.211 -11.312 1.00 5.28 N ATOM 0 H LYS A 50 29.849 -0.379 -16.180 1.00 1.44 H new ATOM 0 HA LYS A 50 27.454 -0.275 -14.403 1.00 1.45 H new ATOM 0 HB2 LYS A 50 29.670 0.678 -13.712 1.00 1.76 H new ATOM 0 HB3 LYS A 50 29.761 1.627 -15.182 1.00 1.76 H new ATOM 0 HG2 LYS A 50 27.927 3.051 -14.514 1.00 2.40 H new ATOM 0 HG3 LYS A 50 27.424 1.948 -13.248 1.00 2.40 H new ATOM 0 HD2 LYS A 50 29.226 2.607 -11.779 1.00 2.05 H new ATOM 0 HD3 LYS A 50 30.181 3.275 -13.089 1.00 2.05 H new ATOM 0 HE2 LYS A 50 28.631 5.147 -13.394 1.00 4.60 H new ATOM 0 HE3 LYS A 50 27.419 4.399 -12.372 1.00 4.60 H new ATOM 0 HZ1 LYS A 50 28.620 6.135 -11.181 1.00 5.28 H new ATOM 0 HZ2 LYS A 50 28.925 4.625 -10.467 1.00 5.28 H new ATOM 0 HZ3 LYS A 50 30.100 5.349 -11.457 1.00 5.28 H new ATOM 798 N GLY A 51 27.072 0.542 -17.299 1.00 1.21 N ATOM 799 CA GLY A 51 26.151 1.081 -18.361 1.00 1.19 C ATOM 800 C GLY A 51 25.329 -0.075 -18.943 1.00 0.68 C ATOM 801 O GLY A 51 24.141 -0.181 -18.708 1.00 0.67 O ATOM 0 H GLY A 51 27.722 -0.168 -17.636 1.00 1.21 H new ATOM 0 HA2 GLY A 51 25.490 1.837 -17.938 1.00 1.19 H new ATOM 0 HA3 GLY A 51 26.728 1.567 -19.148 1.00 1.19 H new ATOM 805 N LYS A 52 25.988 -0.930 -19.677 1.00 0.47 N ATOM 806 CA LYS A 52 25.271 -2.095 -20.291 1.00 0.09 C ATOM 807 C LYS A 52 24.550 -2.989 -19.275 1.00 0.16 C ATOM 808 O LYS A 52 23.356 -3.075 -19.341 1.00 0.13 O ATOM 809 CB LYS A 52 26.283 -2.975 -21.125 1.00 0.51 C ATOM 810 CG LYS A 52 26.196 -2.609 -22.632 1.00 0.84 C ATOM 811 CD LYS A 52 27.111 -1.431 -23.039 1.00 1.60 C ATOM 812 CE LYS A 52 28.505 -1.949 -23.393 1.00 1.04 C ATOM 813 NZ LYS A 52 29.282 -0.812 -23.967 1.00 0.56 N ATOM 0 H LYS A 52 26.986 -0.877 -19.880 1.00 0.47 H new ATOM 0 HA LYS A 52 24.503 -1.665 -20.935 1.00 0.09 H new ATOM 0 HB2 LYS A 52 27.299 -2.816 -20.763 1.00 0.51 H new ATOM 0 HB3 LYS A 52 26.057 -4.032 -20.986 1.00 0.51 H new ATOM 0 HG2 LYS A 52 26.460 -3.484 -23.225 1.00 0.84 H new ATOM 0 HG3 LYS A 52 25.164 -2.357 -22.877 1.00 0.84 H new ATOM 0 HD2 LYS A 52 26.682 -0.905 -23.892 1.00 1.60 H new ATOM 0 HD3 LYS A 52 27.178 -0.713 -22.222 1.00 1.60 H new ATOM 0 HE2 LYS A 52 29.003 -2.343 -22.507 1.00 1.04 H new ATOM 0 HE3 LYS A 52 28.438 -2.767 -24.111 1.00 1.04 H new ATOM 0 HZ1 LYS A 52 30.021 -1.181 -24.599 1.00 0.56 H new ATOM 0 HZ2 LYS A 52 28.644 -0.192 -24.505 1.00 0.56 H new ATOM 0 HZ3 LYS A 52 29.724 -0.270 -23.197 1.00 0.56 H new ATOM 827 N ALA A 53 25.250 -3.588 -18.358 1.00 0.40 N ATOM 828 CA ALA A 53 24.592 -4.484 -17.361 1.00 0.55 C ATOM 829 C ALA A 53 23.230 -3.926 -16.843 1.00 0.31 C ATOM 830 O ALA A 53 22.206 -4.563 -17.015 1.00 0.23 O ATOM 831 CB ALA A 53 25.585 -4.687 -16.195 1.00 0.89 C ATOM 0 H ALA A 53 26.260 -3.497 -18.252 1.00 0.40 H new ATOM 0 HA ALA A 53 24.350 -5.432 -17.842 1.00 0.55 H new ATOM 0 HB1 ALA A 53 25.137 -5.339 -15.445 1.00 0.89 H new ATOM 0 HB2 ALA A 53 26.500 -5.143 -16.572 1.00 0.89 H new ATOM 0 HB3 ALA A 53 25.819 -3.722 -15.744 1.00 0.89 H new ATOM 837 N LYS A 54 23.231 -2.751 -16.246 1.00 0.47 N ATOM 838 CA LYS A 54 21.948 -2.168 -15.722 1.00 0.51 C ATOM 839 C LYS A 54 20.995 -1.625 -16.816 1.00 0.49 C ATOM 840 O LYS A 54 19.882 -1.228 -16.523 1.00 0.59 O ATOM 841 CB LYS A 54 22.357 -1.053 -14.713 1.00 0.65 C ATOM 842 CG LYS A 54 22.553 0.339 -15.391 1.00 1.27 C ATOM 843 CD LYS A 54 23.334 1.255 -14.406 1.00 1.39 C ATOM 844 CE LYS A 54 23.132 2.766 -14.778 1.00 1.65 C ATOM 845 NZ LYS A 54 23.715 3.683 -13.741 1.00 1.35 N ATOM 0 H LYS A 54 24.060 -2.175 -16.100 1.00 0.47 H new ATOM 0 HA LYS A 54 21.365 -2.958 -15.248 1.00 0.51 H new ATOM 0 HB2 LYS A 54 21.592 -0.971 -13.941 1.00 0.65 H new ATOM 0 HB3 LYS A 54 23.283 -1.342 -14.215 1.00 0.65 H new ATOM 0 HG2 LYS A 54 23.102 0.232 -16.327 1.00 1.27 H new ATOM 0 HG3 LYS A 54 21.588 0.781 -15.637 1.00 1.27 H new ATOM 0 HD2 LYS A 54 22.992 1.077 -13.387 1.00 1.39 H new ATOM 0 HD3 LYS A 54 24.395 1.007 -14.434 1.00 1.39 H new ATOM 0 HE2 LYS A 54 23.597 2.967 -15.743 1.00 1.65 H new ATOM 0 HE3 LYS A 54 22.068 2.973 -14.888 1.00 1.65 H new ATOM 0 HZ1 LYS A 54 23.560 4.671 -14.025 1.00 1.35 H new ATOM 0 HZ2 LYS A 54 23.253 3.510 -12.825 1.00 1.35 H new ATOM 0 HZ3 LYS A 54 24.736 3.504 -13.654 1.00 1.35 H new ATOM 859 N TRP A 55 21.418 -1.616 -18.053 1.00 0.40 N ATOM 860 CA TRP A 55 20.589 -1.111 -19.198 1.00 0.44 C ATOM 861 C TRP A 55 19.947 -2.330 -19.868 1.00 0.49 C ATOM 862 O TRP A 55 18.799 -2.342 -20.252 1.00 0.70 O ATOM 863 CB TRP A 55 21.527 -0.438 -20.140 1.00 0.38 C ATOM 864 CG TRP A 55 20.786 0.281 -21.263 1.00 0.64 C ATOM 865 CD1 TRP A 55 20.366 1.574 -21.248 1.00 1.02 C ATOM 866 CD2 TRP A 55 20.441 -0.299 -22.429 1.00 0.78 C ATOM 867 NE1 TRP A 55 19.779 1.699 -22.428 1.00 1.25 N ATOM 868 CE2 TRP A 55 19.771 0.626 -23.208 1.00 1.19 C ATOM 869 CE3 TRP A 55 20.651 -1.594 -22.916 1.00 0.82 C ATOM 870 CZ2 TRP A 55 19.310 0.257 -24.462 1.00 1.55 C ATOM 871 CZ3 TRP A 55 20.190 -1.959 -24.180 1.00 1.27 C ATOM 872 CH2 TRP A 55 19.512 -1.028 -24.960 1.00 1.58 C ATOM 0 H TRP A 55 22.341 -1.951 -18.330 1.00 0.40 H new ATOM 0 HA TRP A 55 19.810 -0.416 -18.885 1.00 0.44 H new ATOM 0 HB2 TRP A 55 22.140 0.278 -19.593 1.00 0.38 H new ATOM 0 HB3 TRP A 55 22.205 -1.177 -20.567 1.00 0.38 H new ATOM 0 HD1 TRP A 55 20.482 2.313 -20.469 1.00 1.02 H new ATOM 0 HE1 TRP A 55 19.353 2.578 -22.723 1.00 1.25 H new ATOM 0 HE3 TRP A 55 21.175 -2.317 -22.308 1.00 0.82 H new ATOM 0 HZ2 TRP A 55 18.783 0.981 -25.066 1.00 1.55 H new ATOM 0 HZ3 TRP A 55 20.358 -2.959 -24.552 1.00 1.27 H new ATOM 0 HH2 TRP A 55 19.147 -1.298 -25.940 1.00 1.58 H new ATOM 883 N ASP A 56 20.783 -3.328 -19.932 1.00 0.33 N ATOM 884 CA ASP A 56 20.487 -4.661 -20.528 1.00 0.46 C ATOM 885 C ASP A 56 19.257 -5.064 -19.766 1.00 0.53 C ATOM 886 O ASP A 56 18.217 -5.268 -20.358 1.00 0.83 O ATOM 887 CB ASP A 56 21.752 -5.525 -20.265 1.00 0.46 C ATOM 888 CG ASP A 56 22.395 -5.762 -21.603 1.00 0.98 C ATOM 889 OD1 ASP A 56 23.182 -4.879 -21.887 1.00 0.49 O ATOM 890 OD2 ASP A 56 22.118 -6.738 -22.288 1.00 1.91 O ATOM 0 H ASP A 56 21.733 -3.263 -19.565 1.00 0.33 H new ATOM 0 HA ASP A 56 20.294 -4.731 -21.599 1.00 0.46 H new ATOM 0 HB2 ASP A 56 22.438 -5.013 -19.591 1.00 0.46 H new ATOM 0 HB3 ASP A 56 21.485 -6.469 -19.791 1.00 0.46 H new ATOM 895 N ALA A 57 19.434 -5.151 -18.471 1.00 0.43 N ATOM 896 CA ALA A 57 18.296 -5.522 -17.601 1.00 0.86 C ATOM 897 C ALA A 57 17.066 -4.672 -18.016 1.00 1.19 C ATOM 898 O ALA A 57 16.027 -5.187 -18.359 1.00 2.06 O ATOM 899 CB ALA A 57 18.706 -5.248 -16.138 1.00 1.04 C ATOM 0 H ALA A 57 20.316 -4.980 -17.988 1.00 0.43 H new ATOM 0 HA ALA A 57 18.035 -6.576 -17.701 1.00 0.86 H new ATOM 0 HB1 ALA A 57 17.883 -5.513 -15.474 1.00 1.04 H new ATOM 0 HB2 ALA A 57 19.582 -5.846 -15.888 1.00 1.04 H new ATOM 0 HB3 ALA A 57 18.942 -4.191 -16.018 1.00 1.04 H new ATOM 905 N TRP A 58 17.183 -3.369 -18.009 1.00 0.63 N ATOM 906 CA TRP A 58 15.988 -2.532 -18.401 1.00 0.91 C ATOM 907 C TRP A 58 15.410 -2.885 -19.809 1.00 0.88 C ATOM 908 O TRP A 58 14.215 -2.980 -20.004 1.00 0.94 O ATOM 909 CB TRP A 58 16.427 -1.055 -18.308 1.00 1.07 C ATOM 910 CG TRP A 58 15.194 -0.132 -18.423 1.00 1.20 C ATOM 911 CD1 TRP A 58 13.889 -0.526 -18.429 1.00 1.24 C ATOM 912 CD2 TRP A 58 15.224 1.211 -18.507 1.00 1.26 C ATOM 913 NE1 TRP A 58 13.230 0.615 -18.517 1.00 1.30 N ATOM 914 CE2 TRP A 58 13.937 1.724 -18.574 1.00 1.33 C ATOM 915 CE3 TRP A 58 16.318 2.054 -18.538 1.00 1.26 C ATOM 916 CZ2 TRP A 58 13.729 3.092 -18.674 1.00 1.41 C ATOM 917 CZ3 TRP A 58 16.114 3.438 -18.643 1.00 1.36 C ATOM 918 CH2 TRP A 58 14.827 3.951 -18.712 1.00 1.43 C ATOM 0 H TRP A 58 18.025 -2.851 -17.758 1.00 0.63 H new ATOM 0 HA TRP A 58 15.162 -2.739 -17.720 1.00 0.91 H new ATOM 0 HB2 TRP A 58 16.938 -0.877 -17.362 1.00 1.07 H new ATOM 0 HB3 TRP A 58 17.138 -0.827 -19.102 1.00 1.07 H new ATOM 0 HD1 TRP A 58 13.491 -1.528 -18.375 1.00 1.24 H new ATOM 0 HE1 TRP A 58 12.210 0.636 -18.540 1.00 1.30 H new ATOM 0 HE3 TRP A 58 17.319 1.652 -18.482 1.00 1.26 H new ATOM 0 HZ2 TRP A 58 12.725 3.488 -18.722 1.00 1.41 H new ATOM 0 HZ3 TRP A 58 16.962 4.106 -18.670 1.00 1.36 H new ATOM 0 HH2 TRP A 58 14.675 5.017 -18.795 1.00 1.43 H new ATOM 929 N ASN A 59 16.264 -3.089 -20.764 1.00 0.79 N ATOM 930 CA ASN A 59 15.848 -3.441 -22.157 1.00 0.78 C ATOM 931 C ASN A 59 15.046 -4.761 -22.001 1.00 0.79 C ATOM 932 O ASN A 59 13.962 -4.900 -22.536 1.00 0.83 O ATOM 933 CB ASN A 59 17.134 -3.624 -22.999 1.00 0.77 C ATOM 934 CG ASN A 59 16.806 -3.698 -24.503 1.00 0.76 C ATOM 935 OD1 ASN A 59 16.030 -2.934 -25.038 1.00 0.81 O ATOM 936 ND2 ASN A 59 17.364 -4.588 -25.263 1.00 0.84 N ATOM 0 H ASN A 59 17.274 -3.025 -20.638 1.00 0.79 H new ATOM 0 HA ASN A 59 15.240 -2.688 -22.658 1.00 0.78 H new ATOM 0 HB2 ASN A 59 17.816 -2.794 -22.813 1.00 0.77 H new ATOM 0 HB3 ASN A 59 17.648 -4.534 -22.690 1.00 0.77 H new ATOM 0 HD21 ASN A 59 17.142 -4.620 -26.258 1.00 0.84 H new ATOM 0 HD22 ASN A 59 18.025 -5.256 -24.866 1.00 0.84 H new ATOM 943 N GLU A 60 15.637 -5.652 -21.243 1.00 0.75 N ATOM 944 CA GLU A 60 15.075 -7.007 -20.929 1.00 0.78 C ATOM 945 C GLU A 60 13.740 -6.922 -20.175 1.00 0.75 C ATOM 946 O GLU A 60 12.917 -7.809 -20.262 1.00 0.85 O ATOM 947 CB GLU A 60 16.159 -7.786 -20.096 1.00 0.99 C ATOM 948 CG GLU A 60 15.708 -9.286 -19.843 1.00 0.88 C ATOM 949 CD GLU A 60 15.206 -9.614 -18.420 1.00 0.83 C ATOM 950 OE1 GLU A 60 15.715 -9.022 -17.480 1.00 1.57 O ATOM 951 OE2 GLU A 60 14.338 -10.470 -18.355 1.00 2.76 O ATOM 0 H GLU A 60 16.542 -5.483 -20.803 1.00 0.75 H new ATOM 0 HA GLU A 60 14.853 -7.536 -21.856 1.00 0.78 H new ATOM 0 HB2 GLU A 60 17.111 -7.773 -20.627 1.00 0.99 H new ATOM 0 HB3 GLU A 60 16.320 -7.284 -19.142 1.00 0.99 H new ATOM 0 HG2 GLU A 60 14.916 -9.530 -20.551 1.00 0.88 H new ATOM 0 HG3 GLU A 60 16.550 -9.940 -20.069 1.00 0.88 H new ATOM 958 N LEU A 61 13.551 -5.841 -19.475 1.00 0.68 N ATOM 959 CA LEU A 61 12.298 -5.613 -18.680 1.00 0.74 C ATOM 960 C LEU A 61 11.382 -4.544 -19.304 1.00 0.64 C ATOM 961 O LEU A 61 10.294 -4.325 -18.805 1.00 1.01 O ATOM 962 CB LEU A 61 12.625 -5.114 -17.286 1.00 0.80 C ATOM 963 CG LEU A 61 13.636 -5.947 -16.533 1.00 0.77 C ATOM 964 CD1 LEU A 61 13.815 -5.224 -15.216 1.00 0.89 C ATOM 965 CD2 LEU A 61 13.122 -7.362 -16.370 1.00 0.57 C ATOM 0 H LEU A 61 14.228 -5.080 -19.415 1.00 0.68 H new ATOM 0 HA LEU A 61 11.793 -6.579 -18.663 1.00 0.74 H new ATOM 0 HB2 LEU A 61 13.000 -4.093 -17.360 1.00 0.80 H new ATOM 0 HB3 LEU A 61 11.704 -5.074 -16.705 1.00 0.80 H new ATOM 0 HG LEU A 61 14.591 -6.049 -17.048 1.00 0.77 H new ATOM 0 HD11 LEU A 61 14.537 -5.762 -14.601 1.00 0.89 H new ATOM 0 HD12 LEU A 61 14.178 -4.213 -15.402 1.00 0.89 H new ATOM 0 HD13 LEU A 61 12.859 -5.175 -14.695 1.00 0.89 H new ATOM 0 HD21 LEU A 61 13.857 -7.956 -15.826 1.00 0.57 H new ATOM 0 HD22 LEU A 61 12.185 -7.347 -15.814 1.00 0.57 H new ATOM 0 HD23 LEU A 61 12.954 -7.804 -17.352 1.00 0.57 H new ATOM 977 N LYS A 62 11.821 -3.920 -20.360 1.00 0.34 N ATOM 978 CA LYS A 62 11.014 -2.857 -21.036 1.00 0.37 C ATOM 979 C LYS A 62 9.534 -3.327 -21.154 1.00 0.94 C ATOM 980 O LYS A 62 9.317 -4.457 -21.544 1.00 3.08 O ATOM 981 CB LYS A 62 11.700 -2.622 -22.406 1.00 0.26 C ATOM 982 CG LYS A 62 10.838 -1.597 -23.113 1.00 0.73 C ATOM 983 CD LYS A 62 11.288 -1.226 -24.535 1.00 1.16 C ATOM 984 CE LYS A 62 11.116 -2.434 -25.418 1.00 2.27 C ATOM 985 NZ LYS A 62 9.657 -2.772 -25.379 1.00 3.22 N ATOM 0 H LYS A 62 12.725 -4.104 -20.795 1.00 0.34 H new ATOM 0 HA LYS A 62 10.980 -1.919 -20.482 1.00 0.37 H new ATOM 0 HB2 LYS A 62 12.719 -2.258 -22.278 1.00 0.26 H new ATOM 0 HB3 LYS A 62 11.761 -3.547 -22.979 1.00 0.26 H new ATOM 0 HG2 LYS A 62 9.817 -1.976 -23.160 1.00 0.73 H new ATOM 0 HG3 LYS A 62 10.813 -0.690 -22.510 1.00 0.73 H new ATOM 0 HD2 LYS A 62 10.698 -0.392 -24.914 1.00 1.16 H new ATOM 0 HD3 LYS A 62 12.329 -0.904 -24.531 1.00 1.16 H new ATOM 0 HE2 LYS A 62 11.440 -2.221 -26.437 1.00 2.27 H new ATOM 0 HE3 LYS A 62 11.719 -3.268 -25.059 1.00 2.27 H new ATOM 0 HZ1 LYS A 62 9.382 -3.226 -26.273 1.00 3.22 H new ATOM 0 HZ2 LYS A 62 9.472 -3.423 -24.589 1.00 3.22 H new ATOM 0 HZ3 LYS A 62 9.102 -1.902 -25.248 1.00 3.22 H new ATOM 999 N GLY A 63 8.545 -2.518 -20.860 1.00 1.11 N ATOM 1000 CA GLY A 63 7.121 -3.023 -20.975 1.00 0.75 C ATOM 1001 C GLY A 63 6.528 -3.508 -19.641 1.00 0.96 C ATOM 1002 O GLY A 63 5.333 -3.432 -19.429 1.00 1.76 O ATOM 0 H GLY A 63 8.647 -1.551 -20.552 1.00 1.11 H new ATOM 0 HA2 GLY A 63 6.493 -2.226 -21.373 1.00 0.75 H new ATOM 0 HA3 GLY A 63 7.092 -3.841 -21.694 1.00 0.75 H new ATOM 1006 N THR A 64 7.370 -4.008 -18.773 1.00 0.45 N ATOM 1007 CA THR A 64 6.899 -4.518 -17.441 1.00 0.46 C ATOM 1008 C THR A 64 5.940 -3.619 -16.645 1.00 0.48 C ATOM 1009 O THR A 64 6.094 -2.411 -16.558 1.00 0.87 O ATOM 1010 CB THR A 64 8.129 -4.810 -16.584 1.00 0.48 C ATOM 1011 OG1 THR A 64 8.727 -5.913 -17.247 1.00 0.65 O ATOM 1012 CG2 THR A 64 7.774 -5.475 -15.263 1.00 0.50 C ATOM 0 H THR A 64 8.375 -4.087 -18.928 1.00 0.45 H new ATOM 0 HA THR A 64 6.303 -5.401 -17.673 1.00 0.46 H new ATOM 0 HB THR A 64 8.687 -3.885 -16.440 1.00 0.48 H new ATOM 0 HG1 THR A 64 9.374 -5.587 -17.906 1.00 0.65 H new ATOM 0 HG21 THR A 64 8.684 -5.661 -14.693 1.00 0.50 H new ATOM 0 HG22 THR A 64 7.115 -4.821 -14.692 1.00 0.50 H new ATOM 0 HG23 THR A 64 7.268 -6.421 -15.456 1.00 0.50 H new ATOM 1020 N SER A 65 4.964 -4.265 -16.046 1.00 0.35 N ATOM 1021 CA SER A 65 3.941 -3.532 -15.224 1.00 0.44 C ATOM 1022 C SER A 65 4.641 -3.014 -13.975 1.00 0.45 C ATOM 1023 O SER A 65 5.149 -3.768 -13.160 1.00 0.50 O ATOM 1024 CB SER A 65 2.785 -4.457 -14.763 1.00 0.39 C ATOM 1025 OG SER A 65 2.069 -4.824 -15.938 1.00 2.67 O ATOM 0 H SER A 65 4.831 -5.275 -16.091 1.00 0.35 H new ATOM 0 HA SER A 65 3.518 -2.735 -15.835 1.00 0.44 H new ATOM 0 HB2 SER A 65 3.173 -5.339 -14.254 1.00 0.39 H new ATOM 0 HB3 SER A 65 2.134 -3.942 -14.057 1.00 0.39 H new ATOM 0 HG SER A 65 1.325 -5.414 -15.697 1.00 2.67 H new ATOM 1031 N LYS A 66 4.647 -1.711 -13.889 1.00 0.46 N ATOM 1032 CA LYS A 66 5.293 -1.023 -12.733 1.00 0.51 C ATOM 1033 C LYS A 66 5.018 -1.769 -11.435 1.00 0.49 C ATOM 1034 O LYS A 66 5.910 -2.175 -10.718 1.00 0.57 O ATOM 1035 CB LYS A 66 4.769 0.449 -12.703 1.00 0.48 C ATOM 1036 CG LYS A 66 5.191 1.131 -14.035 1.00 0.54 C ATOM 1037 CD LYS A 66 5.180 2.666 -13.876 1.00 0.50 C ATOM 1038 CE LYS A 66 5.529 3.353 -15.207 1.00 0.54 C ATOM 1039 NZ LYS A 66 6.846 2.850 -15.716 1.00 1.47 N ATOM 0 H LYS A 66 4.227 -1.087 -14.578 1.00 0.46 H new ATOM 0 HA LYS A 66 6.377 -1.012 -12.844 1.00 0.51 H new ATOM 0 HB2 LYS A 66 3.685 0.466 -12.592 1.00 0.48 H new ATOM 0 HB3 LYS A 66 5.186 0.985 -11.850 1.00 0.48 H new ATOM 0 HG2 LYS A 66 6.187 0.795 -14.324 1.00 0.54 H new ATOM 0 HG3 LYS A 66 4.511 0.836 -14.834 1.00 0.54 H new ATOM 0 HD2 LYS A 66 4.197 2.995 -13.538 1.00 0.50 H new ATOM 0 HD3 LYS A 66 5.896 2.962 -13.109 1.00 0.50 H new ATOM 0 HE2 LYS A 66 4.748 3.158 -15.942 1.00 0.54 H new ATOM 0 HE3 LYS A 66 5.573 4.433 -15.067 1.00 0.54 H new ATOM 0 HZ1 LYS A 66 7.236 3.529 -16.401 1.00 1.47 H new ATOM 0 HZ2 LYS A 66 7.507 2.743 -14.921 1.00 1.47 H new ATOM 0 HZ3 LYS A 66 6.710 1.929 -16.180 1.00 1.47 H new ATOM 1053 N GLU A 67 3.754 -1.896 -11.208 1.00 0.47 N ATOM 1054 CA GLU A 67 3.173 -2.587 -10.037 1.00 0.48 C ATOM 1055 C GLU A 67 3.942 -3.880 -9.671 1.00 0.50 C ATOM 1056 O GLU A 67 4.484 -4.020 -8.589 1.00 0.43 O ATOM 1057 CB GLU A 67 1.696 -2.791 -10.451 1.00 0.40 C ATOM 1058 CG GLU A 67 0.991 -1.383 -10.742 1.00 0.56 C ATOM 1059 CD GLU A 67 -0.544 -1.499 -10.852 1.00 1.45 C ATOM 1060 OE1 GLU A 67 -1.096 -1.916 -9.848 1.00 0.97 O ATOM 1061 OE2 GLU A 67 -1.069 -1.169 -11.908 1.00 3.49 O ATOM 0 H GLU A 67 3.046 -1.518 -11.838 1.00 0.47 H new ATOM 0 HA GLU A 67 3.246 -2.023 -9.107 1.00 0.48 H new ATOM 0 HB2 GLU A 67 1.646 -3.419 -11.340 1.00 0.40 H new ATOM 0 HB3 GLU A 67 1.160 -3.315 -9.660 1.00 0.40 H new ATOM 0 HG2 GLU A 67 1.243 -0.683 -9.945 1.00 0.56 H new ATOM 0 HG3 GLU A 67 1.387 -0.967 -11.668 1.00 0.56 H new ATOM 1068 N ASP A 68 4.008 -4.825 -10.573 1.00 0.53 N ATOM 1069 CA ASP A 68 4.748 -6.084 -10.244 1.00 0.52 C ATOM 1070 C ASP A 68 6.230 -5.764 -9.994 1.00 0.40 C ATOM 1071 O ASP A 68 6.890 -6.353 -9.158 1.00 0.32 O ATOM 1072 CB ASP A 68 4.562 -7.086 -11.411 1.00 0.63 C ATOM 1073 CG ASP A 68 3.790 -8.322 -10.930 1.00 1.06 C ATOM 1074 OD1 ASP A 68 4.425 -9.217 -10.402 1.00 1.20 O ATOM 1075 OD2 ASP A 68 2.582 -8.356 -11.064 1.00 1.85 O ATOM 0 H ASP A 68 3.592 -4.785 -11.504 1.00 0.53 H new ATOM 0 HA ASP A 68 4.355 -6.536 -9.334 1.00 0.52 H new ATOM 0 HB2 ASP A 68 4.023 -6.607 -12.229 1.00 0.63 H new ATOM 0 HB3 ASP A 68 5.535 -7.385 -11.802 1.00 0.63 H new ATOM 1080 N ALA A 69 6.719 -4.805 -10.724 1.00 0.43 N ATOM 1081 CA ALA A 69 8.149 -4.413 -10.557 1.00 0.41 C ATOM 1082 C ALA A 69 8.260 -3.805 -9.138 1.00 0.28 C ATOM 1083 O ALA A 69 9.292 -3.963 -8.522 1.00 0.23 O ATOM 1084 CB ALA A 69 8.513 -3.406 -11.663 1.00 0.38 C ATOM 0 H ALA A 69 6.198 -4.277 -11.425 1.00 0.43 H new ATOM 0 HA ALA A 69 8.842 -5.249 -10.649 1.00 0.41 H new ATOM 0 HB1 ALA A 69 9.556 -3.109 -11.555 1.00 0.38 H new ATOM 0 HB2 ALA A 69 8.366 -3.869 -12.639 1.00 0.38 H new ATOM 0 HB3 ALA A 69 7.875 -2.527 -11.579 1.00 0.38 H new ATOM 1090 N MET A 70 7.220 -3.150 -8.666 1.00 0.30 N ATOM 1091 CA MET A 70 7.240 -2.547 -7.291 1.00 0.23 C ATOM 1092 C MET A 70 7.323 -3.762 -6.378 1.00 0.27 C ATOM 1093 O MET A 70 8.234 -3.888 -5.601 1.00 0.29 O ATOM 1094 CB MET A 70 5.922 -1.738 -7.028 1.00 0.24 C ATOM 1095 CG MET A 70 5.881 -0.466 -7.888 1.00 0.16 C ATOM 1096 SD MET A 70 4.556 0.725 -7.574 1.00 0.64 S ATOM 1097 CE MET A 70 5.006 1.879 -8.895 1.00 0.40 C ATOM 0 H MET A 70 6.351 -3.007 -9.180 1.00 0.30 H new ATOM 0 HA MET A 70 8.060 -1.845 -7.139 1.00 0.23 H new ATOM 0 HB2 MET A 70 5.057 -2.362 -7.252 1.00 0.24 H new ATOM 0 HB3 MET A 70 5.858 -1.471 -5.973 1.00 0.24 H new ATOM 0 HG2 MET A 70 6.832 0.052 -7.765 1.00 0.16 H new ATOM 0 HG3 MET A 70 5.817 -0.770 -8.933 1.00 0.16 H new ATOM 0 HE1 MET A 70 4.837 2.902 -8.558 1.00 0.40 H new ATOM 0 HE2 MET A 70 6.058 1.750 -9.148 1.00 0.40 H new ATOM 0 HE3 MET A 70 4.394 1.681 -9.775 1.00 0.40 H new ATOM 1107 N LYS A 71 6.348 -4.605 -6.511 1.00 0.32 N ATOM 1108 CA LYS A 71 6.182 -5.875 -5.772 1.00 0.43 C ATOM 1109 C LYS A 71 7.572 -6.562 -5.552 1.00 0.48 C ATOM 1110 O LYS A 71 8.060 -6.720 -4.453 1.00 0.59 O ATOM 1111 CB LYS A 71 5.210 -6.591 -6.699 1.00 0.73 C ATOM 1112 CG LYS A 71 4.347 -7.653 -6.123 1.00 0.87 C ATOM 1113 CD LYS A 71 3.585 -8.214 -7.400 1.00 2.63 C ATOM 1114 CE LYS A 71 3.186 -9.678 -7.362 1.00 4.52 C ATOM 1115 NZ LYS A 71 2.655 -10.002 -8.735 1.00 6.05 N ATOM 0 H LYS A 71 5.587 -4.441 -7.170 1.00 0.32 H new ATOM 0 HA LYS A 71 5.801 -5.822 -4.752 1.00 0.43 H new ATOM 0 HB2 LYS A 71 4.560 -5.839 -7.145 1.00 0.73 H new ATOM 0 HB3 LYS A 71 5.788 -7.034 -7.510 1.00 0.73 H new ATOM 0 HG2 LYS A 71 4.933 -8.427 -5.629 1.00 0.87 H new ATOM 0 HG3 LYS A 71 3.655 -7.255 -5.381 1.00 0.87 H new ATOM 0 HD2 LYS A 71 2.684 -7.619 -7.548 1.00 2.63 H new ATOM 0 HD3 LYS A 71 4.219 -8.056 -8.272 1.00 2.63 H new ATOM 0 HE2 LYS A 71 4.040 -10.309 -7.116 1.00 4.52 H new ATOM 0 HE3 LYS A 71 2.428 -9.856 -6.599 1.00 4.52 H new ATOM 0 HZ1 LYS A 71 2.136 -10.903 -8.703 1.00 6.05 H new ATOM 0 HZ2 LYS A 71 2.014 -9.245 -9.047 1.00 6.05 H new ATOM 0 HZ3 LYS A 71 3.448 -10.082 -9.404 1.00 6.05 H new ATOM 1129 N ALA A 72 8.185 -6.900 -6.657 1.00 0.43 N ATOM 1130 CA ALA A 72 9.507 -7.578 -6.629 1.00 0.46 C ATOM 1131 C ALA A 72 10.567 -6.572 -6.146 1.00 0.48 C ATOM 1132 O ALA A 72 11.523 -6.949 -5.506 1.00 0.53 O ATOM 1133 CB ALA A 72 9.727 -8.094 -8.066 1.00 0.44 C ATOM 0 H ALA A 72 7.815 -6.730 -7.592 1.00 0.43 H new ATOM 0 HA ALA A 72 9.570 -8.419 -5.939 1.00 0.46 H new ATOM 0 HB1 ALA A 72 10.686 -8.608 -8.125 1.00 0.44 H new ATOM 0 HB2 ALA A 72 8.927 -8.786 -8.330 1.00 0.44 H new ATOM 0 HB3 ALA A 72 9.723 -7.253 -8.759 1.00 0.44 H new ATOM 1139 N TYR A 73 10.409 -5.308 -6.445 1.00 0.45 N ATOM 1140 CA TYR A 73 11.433 -4.325 -5.970 1.00 0.48 C ATOM 1141 C TYR A 73 11.453 -4.411 -4.434 1.00 0.55 C ATOM 1142 O TYR A 73 12.452 -4.702 -3.821 1.00 0.61 O ATOM 1143 CB TYR A 73 11.004 -2.945 -6.454 1.00 0.41 C ATOM 1144 CG TYR A 73 11.970 -1.867 -6.015 1.00 0.27 C ATOM 1145 CD1 TYR A 73 13.163 -1.736 -6.673 1.00 2.24 C ATOM 1146 CD2 TYR A 73 11.666 -1.013 -4.973 1.00 2.51 C ATOM 1147 CE1 TYR A 73 14.045 -0.764 -6.296 1.00 2.37 C ATOM 1148 CE2 TYR A 73 12.562 -0.039 -4.605 1.00 2.36 C ATOM 1149 CZ TYR A 73 13.747 0.081 -5.267 1.00 0.19 C ATOM 1150 OH TYR A 73 14.637 1.052 -4.893 1.00 0.27 O ATOM 0 H TYR A 73 9.636 -4.919 -6.984 1.00 0.45 H new ATOM 0 HA TYR A 73 12.434 -4.528 -6.352 1.00 0.48 H new ATOM 0 HB2 TYR A 73 10.933 -2.948 -7.542 1.00 0.41 H new ATOM 0 HB3 TYR A 73 10.009 -2.719 -6.070 1.00 0.41 H new ATOM 0 HD1 TYR A 73 13.406 -2.400 -7.489 1.00 2.24 H new ATOM 0 HD2 TYR A 73 10.727 -1.111 -4.449 1.00 2.51 H new ATOM 0 HE1 TYR A 73 14.986 -0.663 -6.816 1.00 2.37 H new ATOM 0 HE2 TYR A 73 12.327 0.631 -3.791 1.00 2.36 H new ATOM 0 HH TYR A 73 15.017 0.828 -4.018 1.00 0.27 H new ATOM 1160 N ILE A 74 10.309 -4.152 -3.887 1.00 0.51 N ATOM 1161 CA ILE A 74 10.048 -4.164 -2.422 1.00 0.55 C ATOM 1162 C ILE A 74 10.604 -5.471 -1.823 1.00 0.54 C ATOM 1163 O ILE A 74 11.375 -5.461 -0.882 1.00 0.65 O ATOM 1164 CB ILE A 74 8.521 -4.003 -2.297 1.00 0.49 C ATOM 1165 CG1 ILE A 74 8.129 -2.591 -2.792 1.00 0.33 C ATOM 1166 CG2 ILE A 74 8.102 -4.108 -0.829 1.00 0.77 C ATOM 1167 CD1 ILE A 74 6.590 -2.506 -2.915 1.00 0.40 C ATOM 0 H ILE A 74 9.483 -3.915 -4.436 1.00 0.51 H new ATOM 0 HA ILE A 74 10.541 -3.368 -1.864 1.00 0.55 H new ATOM 0 HB ILE A 74 8.033 -4.781 -2.884 1.00 0.49 H new ATOM 0 HG12 ILE A 74 8.493 -1.835 -2.097 1.00 0.33 H new ATOM 0 HG13 ILE A 74 8.595 -2.388 -3.756 1.00 0.33 H new ATOM 0 HG21 ILE A 74 7.021 -3.993 -0.750 1.00 0.77 H new ATOM 0 HG22 ILE A 74 8.393 -5.082 -0.436 1.00 0.77 H new ATOM 0 HG23 ILE A 74 8.593 -3.324 -0.253 1.00 0.77 H new ATOM 0 HD11 ILE A 74 6.307 -1.513 -3.264 1.00 0.40 H new ATOM 0 HD12 ILE A 74 6.240 -3.254 -3.627 1.00 0.40 H new ATOM 0 HD13 ILE A 74 6.136 -2.692 -1.941 1.00 0.40 H new ATOM 1179 N ASP A 75 10.223 -6.569 -2.417 1.00 0.40 N ATOM 1180 CA ASP A 75 10.686 -7.906 -1.944 1.00 0.39 C ATOM 1181 C ASP A 75 12.225 -8.071 -2.160 1.00 0.36 C ATOM 1182 O ASP A 75 12.904 -8.828 -1.484 1.00 0.48 O ATOM 1183 CB ASP A 75 9.786 -8.861 -2.735 1.00 0.55 C ATOM 1184 CG ASP A 75 8.432 -8.988 -2.032 1.00 0.63 C ATOM 1185 OD1 ASP A 75 7.754 -7.977 -1.992 1.00 0.53 O ATOM 1186 OD2 ASP A 75 8.162 -10.085 -1.576 1.00 0.86 O ATOM 0 H ASP A 75 9.600 -6.597 -3.224 1.00 0.40 H new ATOM 0 HA ASP A 75 10.590 -8.090 -0.874 1.00 0.39 H new ATOM 0 HB2 ASP A 75 9.647 -8.489 -3.750 1.00 0.55 H new ATOM 0 HB3 ASP A 75 10.259 -9.840 -2.816 1.00 0.55 H new ATOM 1191 N LYS A 76 12.766 -7.329 -3.102 1.00 0.34 N ATOM 1192 CA LYS A 76 14.243 -7.441 -3.348 1.00 0.32 C ATOM 1193 C LYS A 76 14.880 -6.572 -2.253 1.00 0.25 C ATOM 1194 O LYS A 76 15.789 -7.004 -1.585 1.00 0.25 O ATOM 1195 CB LYS A 76 14.609 -6.911 -4.754 1.00 0.31 C ATOM 1196 CG LYS A 76 16.089 -7.313 -5.029 1.00 0.48 C ATOM 1197 CD LYS A 76 16.136 -8.858 -5.328 1.00 0.84 C ATOM 1198 CE LYS A 76 17.556 -9.407 -5.525 1.00 1.68 C ATOM 1199 NZ LYS A 76 18.247 -9.452 -4.202 1.00 2.94 N ATOM 0 H LYS A 76 12.265 -6.668 -3.696 1.00 0.34 H new ATOM 0 HA LYS A 76 14.592 -8.473 -3.314 1.00 0.32 H new ATOM 0 HB2 LYS A 76 13.948 -7.337 -5.509 1.00 0.31 H new ATOM 0 HB3 LYS A 76 14.490 -5.829 -4.800 1.00 0.31 H new ATOM 0 HG2 LYS A 76 16.484 -6.751 -5.875 1.00 0.48 H new ATOM 0 HG3 LYS A 76 16.713 -7.074 -4.168 1.00 0.48 H new ATOM 0 HD2 LYS A 76 15.660 -9.393 -4.506 1.00 0.84 H new ATOM 0 HD3 LYS A 76 15.549 -9.064 -6.223 1.00 0.84 H new ATOM 0 HE2 LYS A 76 17.517 -10.404 -5.963 1.00 1.68 H new ATOM 0 HE3 LYS A 76 18.111 -8.775 -6.219 1.00 1.68 H new ATOM 0 HZ1 LYS A 76 19.259 -9.642 -4.345 1.00 2.94 H new ATOM 0 HZ2 LYS A 76 18.132 -8.538 -3.719 1.00 2.94 H new ATOM 0 HZ3 LYS A 76 17.832 -10.207 -3.619 1.00 2.94 H new ATOM 1213 N VAL A 77 14.425 -5.356 -2.087 1.00 0.18 N ATOM 1214 CA VAL A 77 14.983 -4.461 -1.010 1.00 0.19 C ATOM 1215 C VAL A 77 14.903 -5.397 0.242 1.00 0.26 C ATOM 1216 O VAL A 77 15.853 -5.473 0.992 1.00 0.22 O ATOM 1217 CB VAL A 77 14.087 -3.183 -0.943 1.00 0.16 C ATOM 1218 CG1 VAL A 77 14.667 -2.214 0.114 1.00 0.21 C ATOM 1219 CG2 VAL A 77 14.237 -2.432 -2.308 1.00 0.29 C ATOM 0 H VAL A 77 13.686 -4.936 -2.651 1.00 0.18 H new ATOM 0 HA VAL A 77 15.996 -4.080 -1.141 1.00 0.19 H new ATOM 0 HB VAL A 77 13.060 -3.467 -0.715 1.00 0.16 H new ATOM 0 HG11 VAL A 77 14.047 -1.319 0.167 1.00 0.21 H new ATOM 0 HG12 VAL A 77 14.681 -2.704 1.088 1.00 0.21 H new ATOM 0 HG13 VAL A 77 15.683 -1.935 -0.166 1.00 0.21 H new ATOM 0 HG21 VAL A 77 13.623 -1.531 -2.297 1.00 0.29 H new ATOM 0 HG22 VAL A 77 15.281 -2.158 -2.460 1.00 0.29 H new ATOM 0 HG23 VAL A 77 13.912 -3.083 -3.119 1.00 0.29 H new ATOM 1229 N GLU A 78 13.802 -6.087 0.488 1.00 0.37 N ATOM 1230 CA GLU A 78 13.703 -7.028 1.653 1.00 0.41 C ATOM 1231 C GLU A 78 14.938 -7.988 1.509 1.00 0.36 C ATOM 1232 O GLU A 78 15.756 -8.013 2.416 1.00 0.35 O ATOM 1233 CB GLU A 78 12.317 -7.705 1.512 1.00 0.57 C ATOM 1234 CG GLU A 78 11.212 -6.829 2.222 1.00 0.69 C ATOM 1235 CD GLU A 78 11.364 -6.782 3.754 1.00 2.64 C ATOM 1236 OE1 GLU A 78 12.048 -7.598 4.352 1.00 3.64 O ATOM 1237 OE2 GLU A 78 10.771 -5.885 4.331 1.00 3.69 O ATOM 0 H GLU A 78 12.958 -6.033 -0.082 1.00 0.37 H new ATOM 0 HA GLU A 78 13.747 -6.590 2.650 1.00 0.41 H new ATOM 0 HB2 GLU A 78 12.071 -7.831 0.458 1.00 0.57 H new ATOM 0 HB3 GLU A 78 12.343 -8.701 1.955 1.00 0.57 H new ATOM 0 HG2 GLU A 78 11.255 -5.814 1.828 1.00 0.69 H new ATOM 0 HG3 GLU A 78 10.228 -7.226 1.973 1.00 0.69 H new ATOM 1244 N GLU A 79 15.049 -8.758 0.437 1.00 0.40 N ATOM 1245 CA GLU A 79 16.231 -9.678 0.213 1.00 0.46 C ATOM 1246 C GLU A 79 17.528 -9.033 0.717 1.00 0.38 C ATOM 1247 O GLU A 79 18.287 -9.544 1.515 1.00 0.46 O ATOM 1248 CB GLU A 79 16.432 -9.924 -1.282 1.00 0.48 C ATOM 1249 CG GLU A 79 15.848 -11.221 -1.793 1.00 1.04 C ATOM 1250 CD GLU A 79 17.008 -12.183 -2.093 1.00 2.82 C ATOM 1251 OE1 GLU A 79 17.852 -11.811 -2.899 1.00 4.93 O ATOM 1252 OE2 GLU A 79 17.013 -13.234 -1.500 1.00 2.44 O ATOM 0 H GLU A 79 14.354 -8.788 -0.309 1.00 0.40 H new ATOM 0 HA GLU A 79 16.021 -10.604 0.749 1.00 0.46 H new ATOM 0 HB2 GLU A 79 15.986 -9.098 -1.835 1.00 0.48 H new ATOM 0 HB3 GLU A 79 17.500 -9.912 -1.498 1.00 0.48 H new ATOM 0 HG2 GLU A 79 15.177 -11.654 -1.051 1.00 1.04 H new ATOM 0 HG3 GLU A 79 15.258 -11.044 -2.692 1.00 1.04 H new ATOM 1259 N LEU A 80 17.716 -7.852 0.183 1.00 0.24 N ATOM 1260 CA LEU A 80 18.900 -7.015 0.486 1.00 0.23 C ATOM 1261 C LEU A 80 19.007 -6.791 1.958 1.00 0.26 C ATOM 1262 O LEU A 80 20.022 -7.100 2.526 1.00 0.34 O ATOM 1263 CB LEU A 80 18.782 -5.649 -0.215 1.00 0.20 C ATOM 1264 CG LEU A 80 18.919 -5.769 -1.729 1.00 0.15 C ATOM 1265 CD1 LEU A 80 18.946 -4.359 -2.293 1.00 0.58 C ATOM 1266 CD2 LEU A 80 20.234 -6.462 -2.066 1.00 0.49 C ATOM 0 H LEU A 80 17.066 -7.424 -0.476 1.00 0.24 H new ATOM 0 HA LEU A 80 19.787 -7.536 0.126 1.00 0.23 H new ATOM 0 HB2 LEU A 80 17.819 -5.199 0.027 1.00 0.20 H new ATOM 0 HB3 LEU A 80 19.552 -4.978 0.166 1.00 0.20 H new ATOM 0 HG LEU A 80 18.094 -6.345 -2.147 1.00 0.15 H new ATOM 0 HD11 LEU A 80 19.043 -4.403 -3.378 1.00 0.58 H new ATOM 0 HD12 LEU A 80 18.021 -3.845 -2.032 1.00 0.58 H new ATOM 0 HD13 LEU A 80 19.793 -3.816 -1.874 1.00 0.58 H new ATOM 0 HD21 LEU A 80 20.333 -6.548 -3.148 1.00 0.49 H new ATOM 0 HD22 LEU A 80 21.065 -5.877 -1.671 1.00 0.49 H new ATOM 0 HD23 LEU A 80 20.246 -7.457 -1.620 1.00 0.49 H new ATOM 1278 N LYS A 81 17.986 -6.256 2.555 1.00 0.18 N ATOM 1279 CA LYS A 81 18.028 -6.011 4.026 1.00 0.18 C ATOM 1280 C LYS A 81 18.608 -7.232 4.744 1.00 0.17 C ATOM 1281 O LYS A 81 19.621 -7.156 5.413 1.00 0.16 O ATOM 1282 CB LYS A 81 16.568 -5.683 4.464 1.00 0.23 C ATOM 1283 CG LYS A 81 16.387 -5.780 6.013 1.00 0.63 C ATOM 1284 CD LYS A 81 14.987 -5.221 6.460 1.00 0.65 C ATOM 1285 CE LYS A 81 13.877 -5.807 5.583 1.00 3.37 C ATOM 1286 NZ LYS A 81 12.506 -5.587 6.160 1.00 5.05 N ATOM 0 H LYS A 81 17.121 -5.976 2.092 1.00 0.18 H new ATOM 0 HA LYS A 81 18.678 -5.176 4.288 1.00 0.18 H new ATOM 0 HB2 LYS A 81 16.306 -4.679 4.130 1.00 0.23 H new ATOM 0 HB3 LYS A 81 15.879 -6.371 3.974 1.00 0.23 H new ATOM 0 HG2 LYS A 81 16.484 -6.819 6.328 1.00 0.63 H new ATOM 0 HG3 LYS A 81 17.180 -5.221 6.510 1.00 0.63 H new ATOM 0 HD2 LYS A 81 14.805 -5.471 7.505 1.00 0.65 H new ATOM 0 HD3 LYS A 81 14.982 -4.133 6.387 1.00 0.65 H new ATOM 0 HE2 LYS A 81 13.926 -5.356 4.592 1.00 3.37 H new ATOM 0 HE3 LYS A 81 14.046 -6.876 5.456 1.00 3.37 H new ATOM 0 HZ1 LYS A 81 12.124 -6.492 6.501 1.00 5.05 H new ATOM 0 HZ2 LYS A 81 12.566 -4.916 6.952 1.00 5.05 H new ATOM 0 HZ3 LYS A 81 11.878 -5.201 5.426 1.00 5.05 H new ATOM 1300 N LYS A 82 17.915 -8.317 4.539 1.00 0.20 N ATOM 1301 CA LYS A 82 18.303 -9.622 5.152 1.00 0.29 C ATOM 1302 C LYS A 82 19.812 -9.861 5.045 1.00 0.29 C ATOM 1303 O LYS A 82 20.471 -10.321 5.952 1.00 0.40 O ATOM 1304 CB LYS A 82 17.488 -10.717 4.437 1.00 0.40 C ATOM 1305 CG LYS A 82 15.983 -10.414 4.636 1.00 0.51 C ATOM 1306 CD LYS A 82 15.497 -10.798 6.076 1.00 2.62 C ATOM 1307 CE LYS A 82 15.322 -12.299 6.198 1.00 2.82 C ATOM 1308 NZ LYS A 82 14.322 -12.680 5.151 1.00 2.71 N ATOM 0 H LYS A 82 17.077 -8.356 3.959 1.00 0.20 H new ATOM 0 HA LYS A 82 18.081 -9.630 6.219 1.00 0.29 H new ATOM 0 HB2 LYS A 82 17.733 -10.740 3.375 1.00 0.40 H new ATOM 0 HB3 LYS A 82 17.734 -11.699 4.842 1.00 0.40 H new ATOM 0 HG2 LYS A 82 15.800 -9.354 4.461 1.00 0.51 H new ATOM 0 HG3 LYS A 82 15.401 -10.964 3.897 1.00 0.51 H new ATOM 0 HD2 LYS A 82 16.219 -10.450 6.814 1.00 2.62 H new ATOM 0 HD3 LYS A 82 14.553 -10.298 6.293 1.00 2.62 H new ATOM 0 HE2 LYS A 82 16.268 -12.817 6.042 1.00 2.82 H new ATOM 0 HE3 LYS A 82 14.970 -12.572 7.193 1.00 2.82 H new ATOM 0 HZ1 LYS A 82 13.740 -13.469 5.497 1.00 2.71 H new ATOM 0 HZ2 LYS A 82 13.711 -11.865 4.942 1.00 2.71 H new ATOM 0 HZ3 LYS A 82 14.820 -12.971 4.285 1.00 2.71 H new ATOM 1322 N LYS A 83 20.269 -9.524 3.885 1.00 0.28 N ATOM 1323 CA LYS A 83 21.712 -9.646 3.500 1.00 0.36 C ATOM 1324 C LYS A 83 22.681 -8.553 4.005 1.00 0.42 C ATOM 1325 O LYS A 83 23.765 -8.871 4.440 1.00 0.53 O ATOM 1326 CB LYS A 83 21.763 -9.688 1.963 1.00 0.34 C ATOM 1327 CG LYS A 83 20.999 -10.895 1.450 1.00 0.56 C ATOM 1328 CD LYS A 83 20.698 -10.718 -0.064 1.00 0.72 C ATOM 1329 CE LYS A 83 20.209 -12.101 -0.539 1.00 1.16 C ATOM 1330 NZ LYS A 83 20.424 -12.228 -2.008 1.00 1.17 N ATOM 0 H LYS A 83 19.679 -9.148 3.142 1.00 0.28 H new ATOM 0 HA LYS A 83 22.071 -10.549 3.993 1.00 0.36 H new ATOM 0 HB2 LYS A 83 21.334 -8.774 1.552 1.00 0.34 H new ATOM 0 HB3 LYS A 83 22.799 -9.733 1.627 1.00 0.34 H new ATOM 0 HG2 LYS A 83 21.582 -11.802 1.611 1.00 0.56 H new ATOM 0 HG3 LYS A 83 20.068 -11.011 2.005 1.00 0.56 H new ATOM 0 HD2 LYS A 83 19.939 -9.953 -0.229 1.00 0.72 H new ATOM 0 HD3 LYS A 83 21.589 -10.406 -0.609 1.00 0.72 H new ATOM 0 HE2 LYS A 83 20.747 -12.889 -0.013 1.00 1.16 H new ATOM 0 HE3 LYS A 83 19.152 -12.225 -0.304 1.00 1.16 H new ATOM 0 HZ1 LYS A 83 19.513 -12.404 -2.478 1.00 1.17 H new ATOM 0 HZ2 LYS A 83 20.839 -11.348 -2.376 1.00 1.17 H new ATOM 0 HZ3 LYS A 83 21.070 -13.021 -2.197 1.00 1.17 H new ATOM 1344 N TYR A 84 22.300 -7.311 3.944 1.00 0.44 N ATOM 1345 CA TYR A 84 23.189 -6.195 4.400 1.00 0.60 C ATOM 1346 C TYR A 84 22.978 -5.539 5.772 1.00 1.08 C ATOM 1347 O TYR A 84 23.866 -4.830 6.203 1.00 2.58 O ATOM 1348 CB TYR A 84 23.129 -5.160 3.233 1.00 0.49 C ATOM 1349 CG TYR A 84 23.634 -5.946 2.004 1.00 0.25 C ATOM 1350 CD1 TYR A 84 24.985 -6.073 1.766 1.00 2.15 C ATOM 1351 CD2 TYR A 84 22.752 -6.587 1.156 1.00 2.57 C ATOM 1352 CE1 TYR A 84 25.434 -6.839 0.701 1.00 2.20 C ATOM 1353 CE2 TYR A 84 23.201 -7.344 0.104 1.00 2.53 C ATOM 1354 CZ TYR A 84 24.539 -7.475 -0.129 1.00 0.47 C ATOM 1355 OH TYR A 84 24.959 -8.243 -1.194 1.00 0.71 O ATOM 0 H TYR A 84 21.392 -7.010 3.591 1.00 0.44 H new ATOM 0 HA TYR A 84 24.166 -6.634 4.601 1.00 0.60 H new ATOM 0 HB2 TYR A 84 22.115 -4.790 3.080 1.00 0.49 H new ATOM 0 HB3 TYR A 84 23.757 -4.293 3.437 1.00 0.49 H new ATOM 0 HD1 TYR A 84 25.695 -5.575 2.410 1.00 2.15 H new ATOM 0 HD2 TYR A 84 21.690 -6.490 1.324 1.00 2.57 H new ATOM 0 HE1 TYR A 84 26.494 -6.937 0.521 1.00 2.20 H new ATOM 0 HE2 TYR A 84 22.492 -7.839 -0.543 1.00 2.53 H new ATOM 0 HH TYR A 84 24.184 -8.505 -1.734 1.00 0.71 H new ATOM 1365 N GLY A 85 21.867 -5.745 6.435 1.00 0.40 N ATOM 1366 CA GLY A 85 21.685 -5.105 7.787 1.00 0.78 C ATOM 1367 C GLY A 85 21.036 -3.738 7.904 1.00 0.47 C ATOM 1368 O GLY A 85 21.527 -2.928 8.664 1.00 0.97 O ATOM 0 H GLY A 85 21.087 -6.317 6.111 1.00 0.40 H new ATOM 0 HA2 GLY A 85 21.098 -5.794 8.394 1.00 0.78 H new ATOM 0 HA3 GLY A 85 22.671 -5.035 8.247 1.00 0.78 H new ATOM 1372 N ILE A 86 19.990 -3.460 7.173 1.00 0.30 N ATOM 1373 CA ILE A 86 19.349 -2.120 7.308 1.00 0.70 C ATOM 1374 C ILE A 86 17.947 -2.228 7.943 1.00 1.40 C ATOM 1375 O ILE A 86 17.728 -1.354 8.765 1.00 1.68 O ATOM 1376 CB ILE A 86 19.311 -1.475 5.885 1.00 0.52 C ATOM 1377 CG1 ILE A 86 18.609 -0.108 6.001 1.00 0.75 C ATOM 1378 CG2 ILE A 86 18.520 -2.354 4.894 1.00 0.92 C ATOM 1379 CD1 ILE A 86 18.975 0.803 4.808 1.00 0.67 C ATOM 1380 OXT ILE A 86 17.198 -3.132 7.600 1.00 3.42 O ATOM 0 H ILE A 86 19.557 -4.091 6.499 1.00 0.30 H new ATOM 0 HA ILE A 86 19.924 -1.485 7.982 1.00 0.70 H new ATOM 0 HB ILE A 86 20.331 -1.372 5.514 1.00 0.52 H new ATOM 0 HG12 ILE A 86 17.529 -0.251 6.036 1.00 0.75 H new ATOM 0 HG13 ILE A 86 18.897 0.375 6.935 1.00 0.75 H new ATOM 0 HG21 ILE A 86 18.511 -1.879 3.913 1.00 0.92 H new ATOM 0 HG22 ILE A 86 18.993 -3.333 4.819 1.00 0.92 H new ATOM 0 HG23 ILE A 86 17.496 -2.472 5.249 1.00 0.92 H new ATOM 0 HD11 ILE A 86 18.467 1.762 4.913 1.00 0.67 H new ATOM 0 HD12 ILE A 86 20.053 0.963 4.790 1.00 0.67 H new ATOM 0 HD13 ILE A 86 18.663 0.327 3.878 1.00 0.67 H new