USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 778 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 77 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 86 SER OG : rot 81:sc= 1.06 USER MOD Set 2.1: A 46 THR OG1 : rot -35:sc= -0.599! USER MOD Set 2.2: A 49 ASN : amide:sc= -0.992! C(o=-1.6!,f=-6.6!) USER MOD Set 3.1: A 29 GLN : amide:sc=-0.00771 K(o=-7.3,f=-12!) USER MOD Set 3.2: A 35 HIS : no HE2:sc= -7.3! C(o=-7.3!,f=-13!) USER MOD Single : A 1 THR N :NH3+ 162:sc= -0.535 (180deg=-2.07) USER MOD Single : A 1 THR OG1 : rot -41:sc= 0.942 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.84 K(o=-1.8,f=-8!) USER MOD Single : A 5 THR OG1 : rot -150:sc= -0.132 USER MOD Single : A 12 ASN : amide:sc= -0.537 K(o=-0.54,f=-2.5!) USER MOD Single : A 25 CYS SG : rot 180:sc= -4.65! USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 101:sc= -0.44 USER MOD Single : A 47 SER OG : rot 180:sc= 0.23 USER MOD Single : A 57 ASN : amide:sc= -0.485 X(o=-0.48,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -4.54! C(o=-4.5!,f=-7.1!) USER MOD Single : A 66 LYS NZ :NH3+ 160:sc= 0.174 (180deg=0.0841) USER MOD Single : A 67 ASN : amide:sc= -2.05! C(o=-2!,f=-1.8!) USER MOD Single : A 71 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.15) USER MOD Single : A 73 SER OG : rot 56:sc= 0.831! USER MOD Single : A 74 CYS SG : rot -1:sc= -0.67 USER MOD Single : A 83 MET CE :methyl 153:sc= -3.28! (180deg=-5.53!) USER MOD Single : A 85 THR OG1 : rot -13:sc= -0.15! USER MOD Single : A 90 THR OG1 : rot 11:sc= 0.021 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.826 X(o=-0.83,f=-0.7) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 100 HIS : no HD1:sc= -2.57! C(o=-2.6!,f=-5.1!) USER MOD Single : A 101 HIS : no HD1:sc= -0.138 X(o=-0.14,f=-0.14) USER MOD Single : A 102 HIS : no HE2:sc= -0.712 K(o=-0.71,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 55.352 4.306 3.012 1.00 0.00 N ATOM 2 CA THR A 1 54.930 2.942 2.584 1.00 0.00 C ATOM 3 C THR A 1 54.345 3.009 1.179 1.00 0.00 C ATOM 4 O THR A 1 53.623 2.109 0.753 1.00 0.00 O ATOM 5 CB THR A 1 53.883 2.401 3.562 1.00 0.00 C ATOM 6 OG1 THR A 1 53.547 1.068 3.201 1.00 0.00 O ATOM 7 CG2 THR A 1 52.625 3.275 3.517 1.00 0.00 C ATOM 0 H1 THR A 1 55.461 4.327 4.046 1.00 0.00 H new ATOM 0 H2 THR A 1 56.259 4.546 2.563 1.00 0.00 H new ATOM 0 H3 THR A 1 54.630 4.998 2.726 1.00 0.00 H new ATOM 0 HA THR A 1 55.793 2.276 2.580 1.00 0.00 H new ATOM 0 HB THR A 1 54.292 2.417 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 1 53.480 1.000 2.226 1.00 0.00 H new ATOM 0 HG21 THR A 1 51.885 2.884 4.215 1.00 0.00 H new ATOM 0 HG22 THR A 1 52.882 4.297 3.795 1.00 0.00 H new ATOM 0 HG23 THR A 1 52.212 3.267 2.508 1.00 0.00 H new ATOM 17 N ALA A 2 54.664 4.080 0.463 1.00 0.00 N ATOM 18 CA ALA A 2 54.168 4.256 -0.894 1.00 0.00 C ATOM 19 C ALA A 2 55.028 5.265 -1.645 1.00 0.00 C ATOM 20 O ALA A 2 54.799 5.532 -2.824 1.00 0.00 O ATOM 21 CB ALA A 2 52.716 4.746 -0.862 1.00 0.00 C ATOM 0 H ALA A 2 55.261 4.836 0.798 1.00 0.00 H new ATOM 0 HA ALA A 2 54.215 3.296 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 2 52.353 4.875 -1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 2 52.096 4.013 -0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 2 52.665 5.699 -0.335 1.00 0.00 H new ATOM 27 N LYS A 3 56.014 5.837 -0.952 1.00 0.00 N ATOM 28 CA LYS A 3 56.903 6.834 -1.547 1.00 0.00 C ATOM 29 C LYS A 3 58.359 6.397 -1.406 1.00 0.00 C ATOM 30 O LYS A 3 58.726 5.758 -0.420 1.00 0.00 O ATOM 31 CB LYS A 3 56.706 8.166 -0.818 1.00 0.00 C ATOM 32 CG LYS A 3 57.295 9.305 -1.648 1.00 0.00 C ATOM 33 CD LYS A 3 56.975 10.640 -0.975 1.00 0.00 C ATOM 34 CE LYS A 3 57.549 11.782 -1.815 1.00 0.00 C ATOM 35 NZ LYS A 3 57.234 13.084 -1.163 1.00 0.00 N1+ ATOM 0 H LYS A 3 56.217 5.625 0.025 1.00 0.00 H new ATOM 0 HA LYS A 3 56.667 6.941 -2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 3 55.644 8.342 -0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 3 57.187 8.130 0.159 1.00 0.00 H new ATOM 0 HG2 LYS A 3 58.374 9.182 -1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 3 56.883 9.286 -2.657 1.00 0.00 H new ATOM 0 HD2 LYS A 3 55.896 10.758 -0.870 1.00 0.00 H new ATOM 0 HD3 LYS A 3 57.398 10.664 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 3 58.628 11.666 -1.917 1.00 0.00 H new ATOM 0 HE3 LYS A 3 57.129 11.755 -2.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 57.624 13.861 -1.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 56.203 13.194 -1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 57.655 13.107 -0.212 1.00 0.00 H new ATOM 49 N ASN A 4 59.198 6.763 -2.378 1.00 0.00 N ATOM 50 CA ASN A 4 60.620 6.425 -2.327 1.00 0.00 C ATOM 51 C ASN A 4 61.435 7.659 -2.714 1.00 0.00 C ATOM 52 O ASN A 4 61.445 8.058 -3.879 1.00 0.00 O ATOM 53 CB ASN A 4 60.905 5.260 -3.282 1.00 0.00 C ATOM 54 CG ASN A 4 60.686 5.686 -4.727 1.00 0.00 C ATOM 55 OD1 ASN A 4 59.903 6.598 -4.996 1.00 0.00 O ATOM 56 ND2 ASN A 4 61.341 5.079 -5.681 1.00 0.00 N ATOM 0 H ASN A 4 58.918 7.290 -3.205 1.00 0.00 H new ATOM 0 HA ASN A 4 60.900 6.117 -1.320 1.00 0.00 H new ATOM 0 HB2 ASN A 4 61.931 4.917 -3.150 1.00 0.00 H new ATOM 0 HB3 ASN A 4 60.254 4.419 -3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 4 61.205 5.360 -6.652 1.00 0.00 H new ATOM 0 HD22 ASN A 4 61.989 4.324 -5.455 1.00 0.00 H new ATOM 63 N THR A 5 62.102 8.288 -1.731 1.00 0.00 N ATOM 64 CA THR A 5 62.886 9.501 -2.010 1.00 0.00 C ATOM 65 C THR A 5 64.087 9.643 -1.067 1.00 0.00 C ATOM 66 O THR A 5 63.930 9.754 0.149 1.00 0.00 O ATOM 67 CB THR A 5 61.984 10.729 -1.864 1.00 0.00 C ATOM 68 OG1 THR A 5 60.846 10.579 -2.701 1.00 0.00 O ATOM 69 CG2 THR A 5 62.753 11.989 -2.268 1.00 0.00 C ATOM 0 H THR A 5 62.115 7.984 -0.757 1.00 0.00 H new ATOM 0 HA THR A 5 63.269 9.422 -3.027 1.00 0.00 H new ATOM 0 HB THR A 5 61.666 10.822 -0.826 1.00 0.00 H new ATOM 0 HG1 THR A 5 60.535 11.462 -2.991 1.00 0.00 H new ATOM 0 HG21 THR A 5 62.106 12.860 -2.162 1.00 0.00 H new ATOM 0 HG22 THR A 5 63.625 12.105 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 5 63.076 11.901 -3.305 1.00 0.00 H new ATOM 77 N VAL A 6 65.284 9.623 -1.649 1.00 0.00 N ATOM 78 CA VAL A 6 66.515 9.732 -0.871 1.00 0.00 C ATOM 79 C VAL A 6 66.608 11.078 -0.163 1.00 0.00 C ATOM 80 O VAL A 6 66.393 12.133 -0.759 1.00 0.00 O ATOM 81 CB VAL A 6 67.748 9.522 -1.777 1.00 0.00 C ATOM 82 CG1 VAL A 6 69.025 10.008 -1.070 1.00 0.00 C ATOM 83 CG2 VAL A 6 67.902 8.031 -2.092 1.00 0.00 C ATOM 0 H VAL A 6 65.427 9.532 -2.655 1.00 0.00 H new ATOM 0 HA VAL A 6 66.496 8.951 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 6 67.604 10.092 -2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 6 69.884 9.852 -1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 6 68.932 11.069 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 6 69.165 9.447 -0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 6 68.772 7.882 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL A 6 68.034 7.475 -1.164 1.00 0.00 H new ATOM 0 HG23 VAL A 6 67.009 7.673 -2.605 1.00 0.00 H new ATOM 93 N VAL A 7 66.970 11.016 1.118 1.00 0.00 N ATOM 94 CA VAL A 7 67.144 12.213 1.931 1.00 0.00 C ATOM 95 C VAL A 7 68.630 12.490 2.082 1.00 0.00 C ATOM 96 O VAL A 7 69.062 13.643 2.111 1.00 0.00 O ATOM 97 CB VAL A 7 66.508 12.017 3.308 1.00 0.00 C ATOM 98 CG1 VAL A 7 66.777 13.253 4.169 1.00 0.00 C ATOM 99 CG2 VAL A 7 64.999 11.824 3.143 1.00 0.00 C ATOM 0 H VAL A 7 67.149 10.143 1.615 1.00 0.00 H new ATOM 0 HA VAL A 7 66.656 13.058 1.444 1.00 0.00 H new ATOM 0 HB VAL A 7 66.936 11.139 3.791 1.00 0.00 H new ATOM 0 HG11 VAL A 7 66.325 13.117 5.152 1.00 0.00 H new ATOM 0 HG12 VAL A 7 67.852 13.392 4.280 1.00 0.00 H new ATOM 0 HG13 VAL A 7 66.345 14.131 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 7 64.541 11.684 4.122 1.00 0.00 H new ATOM 0 HG22 VAL A 7 64.570 12.704 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 7 64.810 10.946 2.525 1.00 0.00 H new ATOM 109 N ARG A 8 69.414 11.412 2.169 1.00 0.00 N ATOM 110 CA ARG A 8 70.857 11.521 2.305 1.00 0.00 C ATOM 111 C ARG A 8 71.544 10.481 1.436 1.00 0.00 C ATOM 112 O ARG A 8 71.312 9.281 1.585 1.00 0.00 O ATOM 113 CB ARG A 8 71.250 11.325 3.785 1.00 0.00 C ATOM 114 CG ARG A 8 72.610 10.614 3.908 1.00 0.00 C ATOM 115 CD ARG A 8 73.098 10.717 5.350 1.00 0.00 C ATOM 116 NE ARG A 8 73.328 12.115 5.700 1.00 0.00 N ATOM 117 CZ ARG A 8 74.475 12.722 5.411 1.00 0.00 C ATOM 118 NH1 ARG A 8 74.629 13.318 4.259 1.00 0.00 N ATOM 119 NH2 ARG A 8 75.449 12.721 6.280 1.00 0.00 N1+ ATOM 0 H ARG A 8 69.066 10.454 2.147 1.00 0.00 H new ATOM 0 HA ARG A 8 71.176 12.510 1.978 1.00 0.00 H new ATOM 0 HB2 ARG A 8 71.296 12.293 4.284 1.00 0.00 H new ATOM 0 HB3 ARG A 8 70.483 10.741 4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 8 72.515 9.568 3.617 1.00 0.00 H new ATOM 0 HG3 ARG A 8 73.335 11.069 3.232 1.00 0.00 H new ATOM 0 HD2 ARG A 8 72.361 10.281 6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 8 74.019 10.147 5.473 1.00 0.00 H new ATOM 0 HE ARG A 8 72.593 12.638 6.177 1.00 0.00 H new ATOM 0 HH11 ARG A 8 73.869 13.318 3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 8 75.510 13.783 4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 8 75.330 12.255 7.179 1.00 0.00 H new ATOM 0 HH22 ARG A 8 76.330 13.186 6.060 1.00 0.00 H new ATOM 133 N GLY A 9 72.413 10.940 0.552 1.00 0.00 N ATOM 134 CA GLY A 9 73.151 10.035 -0.301 1.00 0.00 C ATOM 135 C GLY A 9 74.490 9.712 0.343 1.00 0.00 C ATOM 136 O GLY A 9 74.797 10.197 1.433 1.00 0.00 O ATOM 0 H GLY A 9 72.622 11.928 0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 9 72.581 9.120 -0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.306 10.486 -1.281 1.00 0.00 H new ATOM 140 N LEU A 10 75.281 8.900 -0.330 1.00 0.00 N ATOM 141 CA LEU A 10 76.589 8.523 0.188 1.00 0.00 C ATOM 142 C LEU A 10 77.552 9.698 0.106 1.00 0.00 C ATOM 143 O LEU A 10 77.245 10.716 -0.512 1.00 0.00 O ATOM 144 CB LEU A 10 77.114 7.337 -0.600 1.00 0.00 C ATOM 145 CG LEU A 10 76.167 6.156 -0.381 1.00 0.00 C ATOM 146 CD1 LEU A 10 76.555 5.014 -1.325 1.00 0.00 C ATOM 147 CD2 LEU A 10 76.231 5.679 1.088 1.00 0.00 C ATOM 0 H LEU A 10 75.046 8.488 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 10 76.498 8.241 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 10 77.175 7.583 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 10 78.122 7.081 -0.274 1.00 0.00 H new ATOM 0 HG LEU A 10 75.146 6.471 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 10 75.882 4.170 -1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 10 76.480 5.354 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 10 77.579 4.703 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 10 75.551 4.838 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 10 77.248 5.367 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 10 75.939 6.495 1.749 1.00 0.00 H new ATOM 159 N GLU A 11 78.719 9.565 0.741 1.00 0.00 N ATOM 160 CA GLU A 11 79.714 10.637 0.738 1.00 0.00 C ATOM 161 C GLU A 11 81.118 10.061 0.567 1.00 0.00 C ATOM 162 O GLU A 11 81.319 8.850 0.661 1.00 0.00 O ATOM 163 CB GLU A 11 79.652 11.400 2.062 1.00 0.00 C ATOM 164 CG GLU A 11 78.292 12.083 2.201 1.00 0.00 C ATOM 165 CD GLU A 11 78.219 12.826 3.532 1.00 0.00 C ATOM 166 OE1 GLU A 11 79.185 12.764 4.274 1.00 0.00 O1- ATOM 167 OE2 GLU A 11 77.199 13.442 3.790 1.00 0.00 O ATOM 0 H GLU A 11 78.996 8.732 1.260 1.00 0.00 H new ATOM 0 HA GLU A 11 79.496 11.309 -0.092 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.813 10.715 2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.448 12.143 2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.139 12.779 1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 11 77.495 11.341 2.144 1.00 0.00 H new ATOM 174 N ASN A 12 82.088 10.942 0.338 1.00 0.00 N ATOM 175 CA ASN A 12 83.476 10.517 0.181 1.00 0.00 C ATOM 176 C ASN A 12 83.946 9.832 1.462 1.00 0.00 C ATOM 177 O ASN A 12 83.491 10.175 2.553 1.00 0.00 O ATOM 178 CB ASN A 12 84.360 11.734 -0.113 1.00 0.00 C ATOM 179 CG ASN A 12 85.825 11.319 -0.195 1.00 0.00 C ATOM 180 OD1 ASN A 12 86.497 11.210 0.832 1.00 0.00 O ATOM 181 ND2 ASN A 12 86.367 11.086 -1.359 1.00 0.00 N ATOM 0 H ASN A 12 81.940 11.948 0.257 1.00 0.00 H new ATOM 0 HA ASN A 12 83.549 9.816 -0.650 1.00 0.00 H new ATOM 0 HB2 ASN A 12 84.053 12.196 -1.051 1.00 0.00 H new ATOM 0 HB3 ASN A 12 84.231 12.483 0.668 1.00 0.00 H new ATOM 0 HD21 ASN A 12 87.348 10.813 -1.419 1.00 0.00 H new ATOM 0 HD22 ASN A 12 85.810 11.177 -2.208 1.00 0.00 H new ATOM 188 N VAL A 13 84.854 8.862 1.331 1.00 0.00 N ATOM 189 CA VAL A 13 85.370 8.142 2.506 1.00 0.00 C ATOM 190 C VAL A 13 86.898 8.080 2.476 1.00 0.00 C ATOM 191 O VAL A 13 87.496 7.737 1.458 1.00 0.00 O ATOM 192 CB VAL A 13 84.778 6.726 2.541 1.00 0.00 C ATOM 193 CG1 VAL A 13 85.462 5.894 3.636 1.00 0.00 C ATOM 194 CG2 VAL A 13 83.275 6.821 2.828 1.00 0.00 C ATOM 0 H VAL A 13 85.245 8.558 0.439 1.00 0.00 H new ATOM 0 HA VAL A 13 85.072 8.679 3.407 1.00 0.00 H new ATOM 0 HB VAL A 13 84.942 6.241 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.034 4.892 3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 13 86.530 5.829 3.430 1.00 0.00 H new ATOM 0 HG13 VAL A 13 85.307 6.370 4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 13 82.846 5.819 2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.118 7.309 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.791 7.402 2.043 1.00 0.00 H new ATOM 204 N GLU A 14 87.522 8.429 3.606 1.00 0.00 N ATOM 205 CA GLU A 14 88.988 8.426 3.720 1.00 0.00 C ATOM 206 C GLU A 14 89.461 7.553 4.882 1.00 0.00 C ATOM 207 O GLU A 14 89.009 7.715 6.016 1.00 0.00 O ATOM 208 CB GLU A 14 89.481 9.861 3.931 1.00 0.00 C ATOM 209 CG GLU A 14 89.319 10.657 2.635 1.00 0.00 C ATOM 210 CD GLU A 14 89.660 12.124 2.873 1.00 0.00 C ATOM 211 OE1 GLU A 14 89.530 12.566 4.001 1.00 0.00 O ATOM 212 OE2 GLU A 14 90.053 12.781 1.923 1.00 0.00 O1- ATOM 0 H GLU A 14 87.037 8.717 4.456 1.00 0.00 H new ATOM 0 HA GLU A 14 89.399 8.013 2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 14 88.916 10.336 4.734 1.00 0.00 H new ATOM 0 HB3 GLU A 14 90.527 9.855 4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 14 89.969 10.245 1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 14 88.296 10.568 2.270 1.00 0.00 H new ATOM 219 N ALA A 15 90.388 6.636 4.593 1.00 0.00 N ATOM 220 CA ALA A 15 90.931 5.754 5.625 1.00 0.00 C ATOM 221 C ALA A 15 92.331 5.260 5.247 1.00 0.00 C ATOM 222 O ALA A 15 92.604 4.949 4.084 1.00 0.00 O ATOM 223 CB ALA A 15 90.009 4.549 5.828 1.00 0.00 C ATOM 0 H ALA A 15 90.774 6.487 3.661 1.00 0.00 H new ATOM 0 HA ALA A 15 90.999 6.326 6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 15 90.424 3.899 6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 15 89.022 4.894 6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 15 89.924 3.995 4.893 1.00 0.00 H new ATOM 229 N LEU A 16 93.212 5.187 6.240 1.00 0.00 N ATOM 230 CA LEU A 16 94.579 4.724 6.014 1.00 0.00 C ATOM 231 C LEU A 16 94.587 3.208 5.803 1.00 0.00 C ATOM 232 O LEU A 16 93.653 2.515 6.204 1.00 0.00 O ATOM 233 CB LEU A 16 95.461 5.073 7.224 1.00 0.00 C ATOM 234 CG LEU A 16 95.851 6.557 7.201 1.00 0.00 C ATOM 235 CD1 LEU A 16 94.625 7.431 7.489 1.00 0.00 C ATOM 236 CD2 LEU A 16 96.917 6.811 8.273 1.00 0.00 C ATOM 0 H LEU A 16 93.006 5.441 7.206 1.00 0.00 H new ATOM 0 HA LEU A 16 94.973 5.217 5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 16 94.927 4.846 8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 16 96.359 4.456 7.216 1.00 0.00 H new ATOM 0 HG LEU A 16 96.243 6.810 6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 16 94.915 8.482 7.470 1.00 0.00 H new ATOM 0 HD12 LEU A 16 93.863 7.251 6.730 1.00 0.00 H new ATOM 0 HD13 LEU A 16 94.224 7.183 8.472 1.00 0.00 H new ATOM 0 HD21 LEU A 16 97.200 7.864 8.263 1.00 0.00 H new ATOM 0 HD22 LEU A 16 96.516 6.552 9.253 1.00 0.00 H new ATOM 0 HD23 LEU A 16 97.794 6.198 8.066 1.00 0.00 H new ATOM 248 N GLU A 17 95.648 2.695 5.181 1.00 0.00 N ATOM 249 CA GLU A 17 95.752 1.254 4.940 1.00 0.00 C ATOM 250 C GLU A 17 95.359 0.455 6.181 1.00 0.00 C ATOM 251 O GLU A 17 95.530 0.911 7.312 1.00 0.00 O ATOM 252 CB GLU A 17 97.186 0.889 4.541 1.00 0.00 C ATOM 253 CG GLU A 17 97.309 -0.632 4.332 1.00 0.00 C ATOM 254 CD GLU A 17 97.517 -1.355 5.664 1.00 0.00 C ATOM 255 OE1 GLU A 17 97.944 -0.715 6.611 1.00 0.00 O ATOM 256 OE2 GLU A 17 97.246 -2.544 5.716 1.00 0.00 O1- ATOM 0 H GLU A 17 96.437 3.244 4.839 1.00 0.00 H new ATOM 0 HA GLU A 17 95.066 1.003 4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 17 97.461 1.413 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 17 97.881 1.214 5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 17 96.409 -1.010 3.846 1.00 0.00 H new ATOM 0 HG3 GLU A 17 98.144 -0.844 3.665 1.00 0.00 H new ATOM 263 N GLY A 18 94.844 -0.750 5.952 1.00 0.00 N ATOM 264 CA GLY A 18 94.435 -1.630 7.038 1.00 0.00 C ATOM 265 C GLY A 18 93.432 -0.953 7.967 1.00 0.00 C ATOM 266 O GLY A 18 93.306 -1.331 9.132 1.00 0.00 O ATOM 0 H GLY A 18 94.700 -1.139 5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 18 93.993 -2.537 6.625 1.00 0.00 H new ATOM 0 HA3 GLY A 18 95.312 -1.934 7.609 1.00 0.00 H new ATOM 270 N GLY A 19 92.728 0.055 7.455 1.00 0.00 N ATOM 271 CA GLY A 19 91.746 0.784 8.263 1.00 0.00 C ATOM 272 C GLY A 19 90.344 0.191 8.124 1.00 0.00 C ATOM 273 O GLY A 19 90.140 -0.801 7.424 1.00 0.00 O ATOM 0 H GLY A 19 92.816 0.385 6.494 1.00 0.00 H new ATOM 0 HA2 GLY A 19 92.048 0.761 9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 19 91.730 1.831 7.959 1.00 0.00 H new ATOM 277 N GLU A 20 89.381 0.822 8.801 1.00 0.00 N ATOM 278 CA GLU A 20 87.978 0.386 8.770 1.00 0.00 C ATOM 279 C GLU A 20 87.133 1.463 8.090 1.00 0.00 C ATOM 280 O GLU A 20 87.495 2.638 8.126 1.00 0.00 O ATOM 281 CB GLU A 20 87.491 0.164 10.207 1.00 0.00 C ATOM 282 CG GLU A 20 86.037 -0.307 10.201 1.00 0.00 C ATOM 283 CD GLU A 20 85.582 -0.588 11.631 1.00 0.00 C ATOM 284 OE1 GLU A 20 86.291 -0.193 12.544 1.00 0.00 O ATOM 285 OE2 GLU A 20 84.537 -1.192 11.793 1.00 0.00 O1- ATOM 0 H GLU A 20 89.547 1.643 9.382 1.00 0.00 H new ATOM 0 HA GLU A 20 87.886 -0.546 8.212 1.00 0.00 H new ATOM 0 HB2 GLU A 20 88.119 -0.576 10.702 1.00 0.00 H new ATOM 0 HB3 GLU A 20 87.580 1.089 10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 20 85.400 0.453 9.749 1.00 0.00 H new ATOM 0 HG3 GLU A 20 85.939 -1.207 9.594 1.00 0.00 H new ATOM 292 N ALA A 21 86.016 1.083 7.454 1.00 0.00 N ATOM 293 CA ALA A 21 85.196 2.106 6.773 1.00 0.00 C ATOM 294 C ALA A 21 83.751 1.657 6.554 1.00 0.00 C ATOM 295 O ALA A 21 83.474 0.472 6.472 1.00 0.00 O ATOM 296 CB ALA A 21 85.837 2.441 5.424 1.00 0.00 C ATOM 0 H ALA A 21 85.668 0.126 7.394 1.00 0.00 H new ATOM 0 HA ALA A 21 85.163 2.984 7.418 1.00 0.00 H new ATOM 0 HB1 ALA A 21 85.238 3.196 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 21 86.844 2.825 5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 21 85.886 1.541 4.811 1.00 0.00 H new ATOM 302 N LEU A 22 82.827 2.628 6.459 1.00 0.00 N ATOM 303 CA LEU A 22 81.409 2.306 6.246 1.00 0.00 C ATOM 304 C LEU A 22 80.703 3.396 5.427 1.00 0.00 C ATOM 305 O LEU A 22 81.083 4.567 5.456 1.00 0.00 O ATOM 306 CB LEU A 22 80.677 2.107 7.602 1.00 0.00 C ATOM 307 CG LEU A 22 81.458 2.769 8.745 1.00 0.00 C ATOM 308 CD1 LEU A 22 81.428 4.289 8.574 1.00 0.00 C ATOM 309 CD2 LEU A 22 80.803 2.402 10.078 1.00 0.00 C ATOM 0 H LEU A 22 83.033 3.625 6.525 1.00 0.00 H new ATOM 0 HA LEU A 22 81.370 1.374 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 22 79.675 2.533 7.546 1.00 0.00 H new ATOM 0 HB3 LEU A 22 80.560 1.042 7.804 1.00 0.00 H new ATOM 0 HG LEU A 22 82.491 2.421 8.729 1.00 0.00 H new ATOM 0 HD11 LEU A 22 81.983 4.758 9.387 1.00 0.00 H new ATOM 0 HD12 LEU A 22 81.884 4.557 7.621 1.00 0.00 H new ATOM 0 HD13 LEU A 22 80.395 4.637 8.592 1.00 0.00 H new ATOM 0 HD21 LEU A 22 81.353 2.869 10.895 1.00 0.00 H new ATOM 0 HD22 LEU A 22 79.772 2.755 10.086 1.00 0.00 H new ATOM 0 HD23 LEU A 22 80.817 1.319 10.204 1.00 0.00 H new ATOM 321 N PHE A 23 79.659 2.980 4.702 1.00 0.00 N ATOM 322 CA PHE A 23 78.862 3.886 3.867 1.00 0.00 C ATOM 323 C PHE A 23 77.395 3.879 4.324 1.00 0.00 C ATOM 324 O PHE A 23 76.699 2.874 4.166 1.00 0.00 O ATOM 325 CB PHE A 23 78.939 3.417 2.407 1.00 0.00 C ATOM 326 CG PHE A 23 80.261 3.816 1.793 1.00 0.00 C ATOM 327 CD1 PHE A 23 80.383 5.051 1.141 1.00 0.00 C ATOM 328 CD2 PHE A 23 81.355 2.947 1.858 1.00 0.00 C ATOM 329 CE1 PHE A 23 81.600 5.416 0.558 1.00 0.00 C ATOM 330 CE2 PHE A 23 82.572 3.312 1.271 1.00 0.00 C ATOM 331 CZ PHE A 23 82.694 4.547 0.622 1.00 0.00 C ATOM 0 H PHE A 23 79.344 2.010 4.677 1.00 0.00 H new ATOM 0 HA PHE A 23 79.256 4.898 3.959 1.00 0.00 H new ATOM 0 HB2 PHE A 23 78.821 2.334 2.360 1.00 0.00 H new ATOM 0 HB3 PHE A 23 78.119 3.852 1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 23 79.537 5.720 1.089 1.00 0.00 H new ATOM 0 HD2 PHE A 23 81.261 1.996 2.360 1.00 0.00 H new ATOM 0 HE1 PHE A 23 81.695 6.369 0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 23 83.417 2.641 1.319 1.00 0.00 H new ATOM 0 HZ PHE A 23 83.634 4.829 0.170 1.00 0.00 H new ATOM 341 N GLU A 24 76.933 4.992 4.913 1.00 0.00 N ATOM 342 CA GLU A 24 75.548 5.083 5.412 1.00 0.00 C ATOM 343 C GLU A 24 74.678 5.986 4.533 1.00 0.00 C ATOM 344 O GLU A 24 74.993 7.155 4.319 1.00 0.00 O ATOM 345 CB GLU A 24 75.544 5.655 6.837 1.00 0.00 C ATOM 346 CG GLU A 24 76.111 4.632 7.824 1.00 0.00 C ATOM 347 CD GLU A 24 76.242 5.273 9.204 1.00 0.00 C ATOM 348 OE1 GLU A 24 75.961 6.456 9.313 1.00 0.00 O1- ATOM 349 OE2 GLU A 24 76.625 4.575 10.127 1.00 0.00 O ATOM 0 H GLU A 24 77.489 5.835 5.056 1.00 0.00 H new ATOM 0 HA GLU A 24 75.135 4.074 5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 24 76.137 6.569 6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 24 74.528 5.923 7.125 1.00 0.00 H new ATOM 0 HG2 GLU A 24 75.458 3.761 7.877 1.00 0.00 H new ATOM 0 HG3 GLU A 24 77.084 4.280 7.481 1.00 0.00 H new ATOM 356 N CYS A 25 73.569 5.426 4.042 1.00 0.00 N ATOM 357 CA CYS A 25 72.621 6.166 3.199 1.00 0.00 C ATOM 358 C CYS A 25 71.213 6.004 3.768 1.00 0.00 C ATOM 359 O CYS A 25 70.724 4.886 3.934 1.00 0.00 O ATOM 360 CB CYS A 25 72.668 5.637 1.744 1.00 0.00 C ATOM 361 SG CYS A 25 73.510 4.034 1.702 1.00 0.00 S ATOM 0 H CYS A 25 73.303 4.456 4.214 1.00 0.00 H new ATOM 0 HA CYS A 25 72.894 7.221 3.191 1.00 0.00 H new ATOM 0 HB2 CYS A 25 71.656 5.537 1.351 1.00 0.00 H new ATOM 0 HB3 CYS A 25 73.190 6.349 1.105 1.00 0.00 H new ATOM 0 HG CYS A 25 73.545 3.594 0.479 1.00 0.00 H new ATOM 367 N GLN A 26 70.571 7.128 4.062 1.00 0.00 N ATOM 368 CA GLN A 26 69.218 7.118 4.608 1.00 0.00 C ATOM 369 C GLN A 26 68.241 7.596 3.549 1.00 0.00 C ATOM 370 O GLN A 26 68.629 8.306 2.623 1.00 0.00 O ATOM 371 CB GLN A 26 69.156 8.037 5.828 1.00 0.00 C ATOM 372 CG GLN A 26 67.733 8.073 6.371 1.00 0.00 C ATOM 373 CD GLN A 26 67.703 8.825 7.696 1.00 0.00 C ATOM 374 OE1 GLN A 26 68.225 9.936 7.792 1.00 0.00 O ATOM 375 NE2 GLN A 26 67.128 8.280 8.735 1.00 0.00 N ATOM 0 H GLN A 26 70.965 8.060 3.932 1.00 0.00 H new ATOM 0 HA GLN A 26 68.951 6.105 4.909 1.00 0.00 H new ATOM 0 HB2 GLN A 26 69.841 7.682 6.598 1.00 0.00 H new ATOM 0 HB3 GLN A 26 69.477 9.042 5.555 1.00 0.00 H new ATOM 0 HG2 GLN A 26 67.072 8.558 5.652 1.00 0.00 H new ATOM 0 HG3 GLN A 26 67.362 7.058 6.510 1.00 0.00 H new ATOM 0 HE21 GLN A 26 66.696 7.360 8.654 1.00 0.00 H new ATOM 0 HE22 GLN A 26 67.111 8.775 9.627 1.00 0.00 H new ATOM 384 N LEU A 27 66.977 7.201 3.667 1.00 0.00 N ATOM 385 CA LEU A 27 65.989 7.615 2.674 1.00 0.00 C ATOM 386 C LEU A 27 64.573 7.587 3.237 1.00 0.00 C ATOM 387 O LEU A 27 64.366 7.397 4.435 1.00 0.00 O ATOM 388 CB LEU A 27 66.080 6.692 1.447 1.00 0.00 C ATOM 389 CG LEU A 27 66.204 5.211 1.856 1.00 0.00 C ATOM 390 CD1 LEU A 27 65.109 4.807 2.851 1.00 0.00 C ATOM 391 CD2 LEU A 27 66.061 4.351 0.602 1.00 0.00 C ATOM 0 H LEU A 27 66.618 6.611 4.418 1.00 0.00 H new ATOM 0 HA LEU A 27 66.210 8.643 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 27 65.195 6.825 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 27 66.941 6.976 0.841 1.00 0.00 H new ATOM 0 HG LEU A 27 67.173 5.064 2.333 1.00 0.00 H new ATOM 0 HD11 LEU A 27 65.228 3.757 3.117 1.00 0.00 H new ATOM 0 HD12 LEU A 27 65.189 5.420 3.749 1.00 0.00 H new ATOM 0 HD13 LEU A 27 64.130 4.957 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 27 66.146 3.298 0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 27 65.088 4.531 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 27 66.847 4.609 -0.108 1.00 0.00 H new ATOM 403 N SER A 28 63.597 7.744 2.342 1.00 0.00 N ATOM 404 CA SER A 28 62.185 7.701 2.712 1.00 0.00 C ATOM 405 C SER A 28 61.522 6.547 1.975 1.00 0.00 C ATOM 406 O SER A 28 61.104 6.695 0.837 1.00 0.00 O ATOM 407 CB SER A 28 61.496 9.016 2.342 1.00 0.00 C ATOM 408 OG SER A 28 61.996 10.058 3.168 1.00 0.00 O ATOM 0 H SER A 28 63.762 7.903 1.348 1.00 0.00 H new ATOM 0 HA SER A 28 62.096 7.558 3.789 1.00 0.00 H new ATOM 0 HB2 SER A 28 61.675 9.251 1.293 1.00 0.00 H new ATOM 0 HB3 SER A 28 60.417 8.923 2.468 1.00 0.00 H new ATOM 0 HG SER A 28 61.557 10.902 2.932 1.00 0.00 H new ATOM 414 N GLN A 29 61.433 5.407 2.643 1.00 0.00 N ATOM 415 CA GLN A 29 60.835 4.201 2.074 1.00 0.00 C ATOM 416 C GLN A 29 60.858 3.096 3.146 1.00 0.00 C ATOM 417 O GLN A 29 61.892 2.459 3.345 1.00 0.00 O ATOM 418 CB GLN A 29 61.649 3.743 0.853 1.00 0.00 C ATOM 419 CG GLN A 29 60.824 2.758 0.022 1.00 0.00 C ATOM 420 CD GLN A 29 61.666 2.213 -1.126 1.00 0.00 C ATOM 421 OE1 GLN A 29 62.890 2.137 -1.018 1.00 0.00 O ATOM 422 NE2 GLN A 29 61.081 1.827 -2.228 1.00 0.00 N ATOM 0 H GLN A 29 61.773 5.288 3.597 1.00 0.00 H new ATOM 0 HA GLN A 29 59.811 4.405 1.761 1.00 0.00 H new ATOM 0 HB2 GLN A 29 61.926 4.604 0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 29 62.576 3.271 1.178 1.00 0.00 H new ATOM 0 HG2 GLN A 29 60.478 1.938 0.652 1.00 0.00 H new ATOM 0 HG3 GLN A 29 59.937 3.254 -0.371 1.00 0.00 H new ATOM 0 HE21 GLN A 29 60.067 1.890 -2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 29 61.638 1.462 -3.000 1.00 0.00 H new ATOM 431 N PRO A 30 59.775 2.871 3.864 1.00 0.00 N ATOM 432 CA PRO A 30 59.748 1.840 4.947 1.00 0.00 C ATOM 433 C PRO A 30 59.909 0.405 4.435 1.00 0.00 C ATOM 434 O PRO A 30 60.220 -0.495 5.215 1.00 0.00 O ATOM 435 CB PRO A 30 58.388 2.034 5.663 1.00 0.00 C ATOM 436 CG PRO A 30 57.673 3.168 4.968 1.00 0.00 C ATOM 437 CD PRO A 30 58.484 3.561 3.722 1.00 0.00 C ATOM 0 HA PRO A 30 60.597 1.977 5.617 1.00 0.00 H new ATOM 0 HB2 PRO A 30 57.795 1.120 5.617 1.00 0.00 H new ATOM 0 HB3 PRO A 30 58.538 2.263 6.718 1.00 0.00 H new ATOM 0 HG2 PRO A 30 56.665 2.864 4.684 1.00 0.00 H new ATOM 0 HG3 PRO A 30 57.572 4.021 5.639 1.00 0.00 H new ATOM 0 HD2 PRO A 30 57.974 3.256 2.808 1.00 0.00 H new ATOM 0 HD3 PRO A 30 58.620 4.641 3.666 1.00 0.00 H new ATOM 445 N GLU A 31 59.711 0.182 3.139 1.00 0.00 N ATOM 446 CA GLU A 31 59.857 -1.162 2.591 1.00 0.00 C ATOM 447 C GLU A 31 60.342 -1.091 1.157 1.00 0.00 C ATOM 448 O GLU A 31 59.835 -0.311 0.352 1.00 0.00 O ATOM 449 CB GLU A 31 58.509 -1.892 2.652 1.00 0.00 C ATOM 450 CG GLU A 31 57.476 -1.176 1.759 1.00 0.00 C ATOM 451 CD GLU A 31 57.595 -1.643 0.308 1.00 0.00 C ATOM 452 OE1 GLU A 31 58.440 -2.479 0.036 1.00 0.00 O1- ATOM 453 OE2 GLU A 31 56.832 -1.157 -0.511 1.00 0.00 O ATOM 0 H GLU A 31 59.454 0.899 2.460 1.00 0.00 H new ATOM 0 HA GLU A 31 60.591 -1.710 3.182 1.00 0.00 H new ATOM 0 HB2 GLU A 31 58.631 -2.924 2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 31 58.151 -1.925 3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 31 56.470 -1.375 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 31 57.628 -0.098 1.812 1.00 0.00 H new ATOM 460 N VAL A 32 61.358 -1.882 0.858 1.00 0.00 N ATOM 461 CA VAL A 32 61.951 -1.888 -0.458 1.00 0.00 C ATOM 462 C VAL A 32 61.036 -2.505 -1.510 1.00 0.00 C ATOM 463 O VAL A 32 60.265 -3.427 -1.240 1.00 0.00 O ATOM 464 CB VAL A 32 63.271 -2.661 -0.413 1.00 0.00 C ATOM 465 CG1 VAL A 32 63.036 -4.072 0.138 1.00 0.00 C ATOM 466 CG2 VAL A 32 63.844 -2.759 -1.824 1.00 0.00 C ATOM 0 H VAL A 32 61.788 -2.531 1.517 1.00 0.00 H new ATOM 0 HA VAL A 32 62.121 -0.850 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 32 63.971 -2.137 0.237 1.00 0.00 H new ATOM 0 HG11 VAL A 32 63.981 -4.614 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 32 62.626 -4.005 1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 32 62.333 -4.601 -0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 32 64.785 -3.309 -1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 32 63.137 -3.281 -2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 32 64.020 -1.757 -2.215 1.00 0.00 H new ATOM 476 N ALA A 33 61.184 -1.995 -2.726 1.00 0.00 N ATOM 477 CA ALA A 33 60.440 -2.481 -3.882 1.00 0.00 C ATOM 478 C ALA A 33 61.419 -3.194 -4.807 1.00 0.00 C ATOM 479 O ALA A 33 61.124 -4.249 -5.368 1.00 0.00 O ATOM 480 CB ALA A 33 59.788 -1.307 -4.617 1.00 0.00 C ATOM 0 H ALA A 33 61.825 -1.231 -2.939 1.00 0.00 H new ATOM 0 HA ALA A 33 59.654 -3.165 -3.564 1.00 0.00 H new ATOM 0 HB1 ALA A 33 59.235 -1.680 -5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 33 59.105 -0.790 -3.943 1.00 0.00 H new ATOM 0 HB3 ALA A 33 60.560 -0.614 -4.953 1.00 0.00 H new ATOM 486 N ALA A 34 62.602 -2.598 -4.931 1.00 0.00 N ATOM 487 CA ALA A 34 63.672 -3.151 -5.757 1.00 0.00 C ATOM 488 C ALA A 34 64.974 -2.406 -5.467 1.00 0.00 C ATOM 489 O ALA A 34 65.055 -1.195 -5.678 1.00 0.00 O ATOM 490 CB ALA A 34 63.320 -3.032 -7.241 1.00 0.00 C ATOM 0 H ALA A 34 62.845 -1.724 -4.465 1.00 0.00 H new ATOM 0 HA ALA A 34 63.796 -4.207 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 34 64.129 -3.449 -7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 34 62.399 -3.580 -7.442 1.00 0.00 H new ATOM 0 HB3 ALA A 34 63.181 -1.982 -7.499 1.00 0.00 H new ATOM 496 N HIS A 35 65.983 -3.124 -4.966 1.00 0.00 N ATOM 497 CA HIS A 35 67.273 -2.503 -4.627 1.00 0.00 C ATOM 498 C HIS A 35 68.451 -3.298 -5.204 1.00 0.00 C ATOM 499 O HIS A 35 68.527 -4.516 -5.049 1.00 0.00 O ATOM 500 CB HIS A 35 67.420 -2.452 -3.092 1.00 0.00 C ATOM 501 CG HIS A 35 66.651 -1.291 -2.515 1.00 0.00 C ATOM 502 ND1 HIS A 35 65.681 -0.606 -3.227 1.00 0.00 N ATOM 503 CD2 HIS A 35 66.688 -0.704 -1.273 1.00 0.00 C ATOM 504 CE1 HIS A 35 65.178 0.344 -2.414 1.00 0.00 C ATOM 505 NE2 HIS A 35 65.758 0.329 -1.214 1.00 0.00 N ATOM 0 H HIS A 35 65.936 -4.127 -4.786 1.00 0.00 H new ATOM 0 HA HIS A 35 67.288 -1.501 -5.056 1.00 0.00 H new ATOM 0 HB2 HIS A 35 67.059 -3.384 -2.657 1.00 0.00 H new ATOM 0 HB3 HIS A 35 68.473 -2.363 -2.827 1.00 0.00 H new ATOM 0 HD1 HIS A 35 65.399 -0.787 -4.190 1.00 0.00 H new ATOM 0 HD2 HIS A 35 67.340 -1.000 -0.465 1.00 0.00 H new ATOM 0 HE1 HIS A 35 64.399 1.035 -2.700 1.00 0.00 H new ATOM 513 N THR A 36 69.393 -2.582 -5.827 1.00 0.00 N ATOM 514 CA THR A 36 70.607 -3.204 -6.379 1.00 0.00 C ATOM 515 C THR A 36 71.819 -2.460 -5.825 1.00 0.00 C ATOM 516 O THR A 36 71.884 -1.243 -5.923 1.00 0.00 O ATOM 517 CB THR A 36 70.611 -3.118 -7.909 1.00 0.00 C ATOM 518 OG1 THR A 36 70.543 -1.756 -8.304 1.00 0.00 O ATOM 519 CG2 THR A 36 69.411 -3.874 -8.479 1.00 0.00 C ATOM 0 H THR A 36 69.341 -1.572 -5.963 1.00 0.00 H new ATOM 0 HA THR A 36 70.638 -4.256 -6.096 1.00 0.00 H new ATOM 0 HB THR A 36 71.528 -3.567 -8.290 1.00 0.00 H new ATOM 0 HG1 THR A 36 71.437 -1.444 -8.558 1.00 0.00 H new ATOM 0 HG21 THR A 36 69.422 -3.807 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 36 69.464 -4.921 -8.179 1.00 0.00 H new ATOM 0 HG23 THR A 36 68.489 -3.434 -8.098 1.00 0.00 H new ATOM 527 N TRP A 37 72.764 -3.179 -5.209 1.00 0.00 N ATOM 528 CA TRP A 37 73.947 -2.527 -4.614 1.00 0.00 C ATOM 529 C TRP A 37 75.253 -3.136 -5.122 1.00 0.00 C ATOM 530 O TRP A 37 75.706 -4.166 -4.630 1.00 0.00 O ATOM 531 CB TRP A 37 73.870 -2.670 -3.087 1.00 0.00 C ATOM 532 CG TRP A 37 74.744 -1.659 -2.393 1.00 0.00 C ATOM 533 CD1 TRP A 37 75.737 -0.929 -2.964 1.00 0.00 C ATOM 534 CD2 TRP A 37 74.708 -1.262 -0.989 1.00 0.00 C ATOM 535 NE1 TRP A 37 76.305 -0.116 -1.999 1.00 0.00 N ATOM 536 CE2 TRP A 37 75.707 -0.285 -0.768 1.00 0.00 C ATOM 537 CE3 TRP A 37 73.912 -1.654 0.102 1.00 0.00 C ATOM 538 CZ2 TRP A 37 75.907 0.284 0.493 1.00 0.00 C ATOM 539 CZ3 TRP A 37 74.111 -1.084 1.370 1.00 0.00 C ATOM 540 CH2 TRP A 37 75.107 -0.118 1.565 1.00 0.00 C ATOM 0 H TRP A 37 72.740 -4.194 -5.108 1.00 0.00 H new ATOM 0 HA TRP A 37 73.943 -1.477 -4.905 1.00 0.00 H new ATOM 0 HB2 TRP A 37 72.838 -2.545 -2.760 1.00 0.00 H new ATOM 0 HB3 TRP A 37 74.176 -3.676 -2.799 1.00 0.00 H new ATOM 0 HD1 TRP A 37 76.034 -0.975 -4.001 1.00 0.00 H new ATOM 0 HE1 TRP A 37 77.074 0.531 -2.177 1.00 0.00 H new ATOM 0 HE3 TRP A 37 73.142 -2.399 -0.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 76.675 1.029 0.637 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 73.492 -1.392 2.200 1.00 0.00 H new ATOM 0 HH2 TRP A 37 75.256 0.315 2.543 1.00 0.00 H new ATOM 551 N LEU A 38 75.865 -2.464 -6.098 1.00 0.00 N ATOM 552 CA LEU A 38 77.143 -2.914 -6.662 1.00 0.00 C ATOM 553 C LEU A 38 78.183 -1.802 -6.518 1.00 0.00 C ATOM 554 O LEU A 38 78.042 -0.724 -7.093 1.00 0.00 O ATOM 555 CB LEU A 38 76.969 -3.284 -8.140 1.00 0.00 C ATOM 556 CG LEU A 38 75.885 -4.363 -8.286 1.00 0.00 C ATOM 557 CD1 LEU A 38 75.688 -4.677 -9.772 1.00 0.00 C ATOM 558 CD2 LEU A 38 76.311 -5.647 -7.551 1.00 0.00 C ATOM 0 H LEU A 38 75.499 -1.608 -6.515 1.00 0.00 H new ATOM 0 HA LEU A 38 77.482 -3.797 -6.121 1.00 0.00 H new ATOM 0 HB2 LEU A 38 76.694 -2.400 -8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 38 77.913 -3.647 -8.546 1.00 0.00 H new ATOM 0 HG LEU A 38 74.955 -3.996 -7.852 1.00 0.00 H new ATOM 0 HD11 LEU A 38 74.920 -5.442 -9.883 1.00 0.00 H new ATOM 0 HD12 LEU A 38 75.379 -3.773 -10.297 1.00 0.00 H new ATOM 0 HD13 LEU A 38 76.625 -5.039 -10.195 1.00 0.00 H new ATOM 0 HD21 LEU A 38 75.535 -6.404 -7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 38 77.243 -6.018 -7.977 1.00 0.00 H new ATOM 0 HD23 LEU A 38 76.457 -5.429 -6.493 1.00 0.00 H new ATOM 570 N LEU A 39 79.226 -2.078 -5.733 1.00 0.00 N ATOM 571 CA LEU A 39 80.291 -1.115 -5.486 1.00 0.00 C ATOM 572 C LEU A 39 81.437 -1.540 -6.358 1.00 0.00 C ATOM 573 O LEU A 39 81.313 -1.496 -7.582 1.00 0.00 O ATOM 574 CB LEU A 39 80.671 -1.110 -3.982 1.00 0.00 C ATOM 575 CG LEU A 39 80.274 -2.431 -3.307 1.00 0.00 C ATOM 576 CD1 LEU A 39 81.118 -3.585 -3.852 1.00 0.00 C ATOM 577 CD2 LEU A 39 80.494 -2.305 -1.797 1.00 0.00 C ATOM 0 H LEU A 39 79.352 -2.970 -5.255 1.00 0.00 H new ATOM 0 HA LEU A 39 79.990 -0.095 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 39 81.744 -0.952 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 39 80.175 -0.279 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 39 79.225 -2.638 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 39 80.824 -4.514 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 39 80.960 -3.675 -4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 39 82.172 -3.389 -3.655 1.00 0.00 H new ATOM 0 HD21 LEU A 39 80.214 -3.239 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 39 81.545 -2.092 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 39 79.880 -1.494 -1.406 1.00 0.00 H new ATOM 589 N ASP A 40 82.531 -2.023 -5.775 1.00 0.00 N ATOM 590 CA ASP A 40 83.604 -2.521 -6.596 1.00 0.00 C ATOM 591 C ASP A 40 82.941 -3.495 -7.567 1.00 0.00 C ATOM 592 O ASP A 40 81.785 -3.868 -7.370 1.00 0.00 O ATOM 593 CB ASP A 40 84.671 -3.234 -5.746 1.00 0.00 C ATOM 594 CG ASP A 40 84.888 -2.485 -4.434 1.00 0.00 C ATOM 595 OD1 ASP A 40 84.335 -1.408 -4.288 1.00 0.00 O1- ATOM 596 OD2 ASP A 40 85.605 -3.003 -3.592 1.00 0.00 O ATOM 0 H ASP A 40 82.686 -2.075 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 40 84.123 -1.715 -7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 40 84.358 -4.258 -5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 40 85.608 -3.292 -6.299 1.00 0.00 H new ATOM 601 N ASP A 41 83.611 -3.859 -8.610 1.00 0.00 N ATOM 602 CA ASP A 41 83.006 -4.741 -9.599 1.00 0.00 C ATOM 603 C ASP A 41 82.718 -6.123 -9.009 1.00 0.00 C ATOM 604 O ASP A 41 82.811 -7.131 -9.708 1.00 0.00 O ATOM 605 CB ASP A 41 83.944 -4.889 -10.797 1.00 0.00 C ATOM 606 CG ASP A 41 84.007 -3.582 -11.579 1.00 0.00 C ATOM 607 OD1 ASP A 41 83.108 -2.773 -11.418 1.00 0.00 O ATOM 608 OD2 ASP A 41 84.959 -3.405 -12.322 1.00 0.00 O1- ATOM 0 H ASP A 41 84.568 -3.573 -8.814 1.00 0.00 H new ATOM 0 HA ASP A 41 82.062 -4.298 -9.915 1.00 0.00 H new ATOM 0 HB2 ASP A 41 84.941 -5.166 -10.455 1.00 0.00 H new ATOM 0 HB3 ASP A 41 83.595 -5.693 -11.445 1.00 0.00 H new ATOM 613 N GLU A 42 82.347 -6.164 -7.721 1.00 0.00 N ATOM 614 CA GLU A 42 82.026 -7.426 -7.053 1.00 0.00 C ATOM 615 C GLU A 42 80.731 -7.264 -6.249 1.00 0.00 C ATOM 616 O GLU A 42 80.569 -6.259 -5.554 1.00 0.00 O ATOM 617 CB GLU A 42 83.163 -7.805 -6.095 1.00 0.00 C ATOM 618 CG GLU A 42 84.358 -8.321 -6.893 1.00 0.00 C ATOM 619 CD GLU A 42 85.543 -8.550 -5.960 1.00 0.00 C ATOM 620 OE1 GLU A 42 85.468 -8.115 -4.823 1.00 0.00 O ATOM 621 OE2 GLU A 42 86.509 -9.156 -6.396 1.00 0.00 O1- ATOM 0 H GLU A 42 82.263 -5.340 -7.126 1.00 0.00 H new ATOM 0 HA GLU A 42 81.901 -8.207 -7.803 1.00 0.00 H new ATOM 0 HB2 GLU A 42 83.456 -6.938 -5.502 1.00 0.00 H new ATOM 0 HB3 GLU A 42 82.823 -8.569 -5.396 1.00 0.00 H new ATOM 0 HG2 GLU A 42 84.096 -9.251 -7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 42 84.627 -7.603 -7.668 1.00 0.00 H new ATOM 628 N PRO A 43 79.809 -8.206 -6.294 1.00 0.00 N ATOM 629 CA PRO A 43 78.557 -8.072 -5.509 1.00 0.00 C ATOM 630 C PRO A 43 78.907 -7.830 -4.046 1.00 0.00 C ATOM 631 O PRO A 43 79.870 -8.398 -3.532 1.00 0.00 O ATOM 632 CB PRO A 43 77.796 -9.402 -5.704 1.00 0.00 C ATOM 633 CG PRO A 43 78.621 -10.258 -6.639 1.00 0.00 C ATOM 634 CD PRO A 43 79.858 -9.450 -7.077 1.00 0.00 C ATOM 0 HA PRO A 43 77.942 -7.232 -5.832 1.00 0.00 H new ATOM 0 HB2 PRO A 43 77.651 -9.906 -4.748 1.00 0.00 H new ATOM 0 HB3 PRO A 43 76.806 -9.221 -6.122 1.00 0.00 H new ATOM 0 HG2 PRO A 43 78.926 -11.178 -6.140 1.00 0.00 H new ATOM 0 HG3 PRO A 43 78.030 -10.548 -7.508 1.00 0.00 H new ATOM 0 HD2 PRO A 43 80.777 -10.002 -6.881 1.00 0.00 H new ATOM 0 HD3 PRO A 43 79.833 -9.242 -8.147 1.00 0.00 H new ATOM 642 N VAL A 44 78.156 -6.957 -3.388 1.00 0.00 N ATOM 643 CA VAL A 44 78.450 -6.626 -1.999 1.00 0.00 C ATOM 644 C VAL A 44 77.755 -7.574 -1.026 1.00 0.00 C ATOM 645 O VAL A 44 76.694 -7.286 -0.477 1.00 0.00 O ATOM 646 CB VAL A 44 78.063 -5.169 -1.732 1.00 0.00 C ATOM 647 CG1 VAL A 44 76.572 -4.938 -2.023 1.00 0.00 C ATOM 648 CG2 VAL A 44 78.382 -4.797 -0.280 1.00 0.00 C ATOM 0 H VAL A 44 77.351 -6.472 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 44 79.520 -6.748 -1.833 1.00 0.00 H new ATOM 0 HB VAL A 44 78.644 -4.532 -2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 44 76.320 -3.896 -1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 44 76.365 -5.170 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 44 75.972 -5.584 -1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 44 78.103 -3.759 -0.101 1.00 0.00 H new ATOM 0 HG22 VAL A 44 77.821 -5.445 0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 44 79.449 -4.922 -0.098 1.00 0.00 H new ATOM 658 N ARG A 45 78.425 -8.691 -0.792 1.00 0.00 N ATOM 659 CA ARG A 45 77.977 -9.709 0.149 1.00 0.00 C ATOM 660 C ARG A 45 79.239 -10.285 0.773 1.00 0.00 C ATOM 661 O ARG A 45 79.802 -9.704 1.684 1.00 0.00 O ATOM 662 CB ARG A 45 77.162 -10.800 -0.575 1.00 0.00 C ATOM 663 CG ARG A 45 76.766 -11.939 0.391 1.00 0.00 C ATOM 664 CD ARG A 45 75.537 -11.541 1.216 1.00 0.00 C ATOM 665 NE ARG A 45 75.312 -12.508 2.282 1.00 0.00 N ATOM 666 CZ ARG A 45 74.167 -12.531 2.954 1.00 0.00 C ATOM 667 NH1 ARG A 45 73.073 -12.918 2.360 1.00 0.00 N ATOM 668 NH2 ARG A 45 74.134 -12.165 4.206 1.00 0.00 N1+ ATOM 0 H ARG A 45 79.305 -8.920 -1.254 1.00 0.00 H new ATOM 0 HA ARG A 45 77.319 -9.291 0.911 1.00 0.00 H new ATOM 0 HB2 ARG A 45 76.264 -10.359 -1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 45 77.747 -11.207 -1.400 1.00 0.00 H new ATOM 0 HG2 ARG A 45 76.553 -12.846 -0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 45 77.599 -12.166 1.056 1.00 0.00 H new ATOM 0 HD2 ARG A 45 75.681 -10.548 1.641 1.00 0.00 H new ATOM 0 HD3 ARG A 45 74.659 -11.488 0.572 1.00 0.00 H new ATOM 0 HE ARG A 45 76.045 -13.178 2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 45 73.098 -13.202 1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 45 72.192 -12.936 2.874 1.00 0.00 H new ATOM 0 HH21 ARG A 45 74.989 -11.860 4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 45 73.253 -12.184 4.720 1.00 0.00 H new ATOM 682 N THR A 46 79.699 -11.395 0.228 1.00 0.00 N ATOM 683 CA THR A 46 80.935 -12.019 0.695 1.00 0.00 C ATOM 684 C THR A 46 80.843 -12.473 2.160 1.00 0.00 C ATOM 685 O THR A 46 79.916 -13.194 2.531 1.00 0.00 O ATOM 686 CB THR A 46 82.097 -11.023 0.501 1.00 0.00 C ATOM 687 OG1 THR A 46 82.192 -10.176 1.636 1.00 0.00 O ATOM 688 CG2 THR A 46 81.849 -10.159 -0.747 1.00 0.00 C ATOM 0 H THR A 46 79.240 -11.887 -0.538 1.00 0.00 H new ATOM 0 HA THR A 46 81.112 -12.919 0.106 1.00 0.00 H new ATOM 0 HB THR A 46 83.023 -11.584 0.376 1.00 0.00 H new ATOM 0 HG1 THR A 46 81.295 -9.998 1.987 1.00 0.00 H new ATOM 0 HG21 THR A 46 82.675 -9.459 -0.875 1.00 0.00 H new ATOM 0 HG22 THR A 46 81.777 -10.801 -1.625 1.00 0.00 H new ATOM 0 HG23 THR A 46 80.919 -9.604 -0.626 1.00 0.00 H new ATOM 696 N SER A 47 81.832 -12.089 2.983 1.00 0.00 N ATOM 697 CA SER A 47 81.874 -12.504 4.394 1.00 0.00 C ATOM 698 C SER A 47 82.282 -11.350 5.316 1.00 0.00 C ATOM 699 O SER A 47 81.895 -10.210 5.112 1.00 0.00 O ATOM 700 CB SER A 47 82.878 -13.645 4.546 1.00 0.00 C ATOM 701 OG SER A 47 82.637 -14.328 5.769 1.00 0.00 O ATOM 0 H SER A 47 82.610 -11.494 2.697 1.00 0.00 H new ATOM 0 HA SER A 47 80.873 -12.826 4.682 1.00 0.00 H new ATOM 0 HB2 SER A 47 82.789 -14.336 3.708 1.00 0.00 H new ATOM 0 HB3 SER A 47 83.895 -13.253 4.530 1.00 0.00 H new ATOM 0 HG SER A 47 83.280 -15.061 5.866 1.00 0.00 H new ATOM 707 N GLU A 48 83.048 -11.658 6.355 1.00 0.00 N ATOM 708 CA GLU A 48 83.467 -10.628 7.302 1.00 0.00 C ATOM 709 C GLU A 48 84.170 -9.470 6.585 1.00 0.00 C ATOM 710 O GLU A 48 83.948 -8.304 6.909 1.00 0.00 O ATOM 711 CB GLU A 48 84.400 -11.238 8.357 1.00 0.00 C ATOM 712 CG GLU A 48 85.681 -11.759 7.694 1.00 0.00 C ATOM 713 CD GLU A 48 86.519 -12.526 8.713 1.00 0.00 C ATOM 714 OE1 GLU A 48 86.148 -13.643 9.033 1.00 0.00 O1- ATOM 715 OE2 GLU A 48 87.519 -11.985 9.156 1.00 0.00 O ATOM 0 H GLU A 48 83.388 -12.597 6.563 1.00 0.00 H new ATOM 0 HA GLU A 48 82.577 -10.232 7.791 1.00 0.00 H new ATOM 0 HB2 GLU A 48 84.650 -10.489 9.109 1.00 0.00 H new ATOM 0 HB3 GLU A 48 83.893 -12.052 8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 48 85.429 -12.408 6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 48 86.256 -10.926 7.290 1.00 0.00 H new ATOM 722 N ASN A 49 85.030 -9.803 5.629 1.00 0.00 N ATOM 723 CA ASN A 49 85.776 -8.781 4.896 1.00 0.00 C ATOM 724 C ASN A 49 84.845 -7.873 4.086 1.00 0.00 C ATOM 725 O ASN A 49 85.307 -6.992 3.363 1.00 0.00 O ATOM 726 CB ASN A 49 86.790 -9.449 3.962 1.00 0.00 C ATOM 727 CG ASN A 49 86.068 -10.156 2.819 1.00 0.00 C ATOM 728 OD1 ASN A 49 84.842 -10.254 2.823 1.00 0.00 O ATOM 729 ND2 ASN A 49 86.764 -10.658 1.836 1.00 0.00 N ATOM 0 H ASN A 49 85.228 -10.762 5.344 1.00 0.00 H new ATOM 0 HA ASN A 49 86.298 -8.161 5.625 1.00 0.00 H new ATOM 0 HB2 ASN A 49 87.475 -8.701 3.562 1.00 0.00 H new ATOM 0 HB3 ASN A 49 87.392 -10.166 4.520 1.00 0.00 H new ATOM 0 HD21 ASN A 49 86.291 -11.134 1.067 1.00 0.00 H new ATOM 0 HD22 ASN A 49 87.781 -10.575 1.836 1.00 0.00 H new ATOM 736 N ALA A 50 83.537 -8.089 4.223 1.00 0.00 N ATOM 737 CA ALA A 50 82.537 -7.281 3.512 1.00 0.00 C ATOM 738 C ALA A 50 81.164 -7.929 3.662 1.00 0.00 C ATOM 739 O ALA A 50 81.031 -9.123 3.439 1.00 0.00 O ATOM 740 CB ALA A 50 82.898 -7.173 2.025 1.00 0.00 C ATOM 0 H ALA A 50 83.141 -8.816 4.819 1.00 0.00 H new ATOM 0 HA ALA A 50 82.519 -6.279 3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 50 82.148 -6.572 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 50 83.875 -6.701 1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 50 82.928 -8.170 1.585 1.00 0.00 H new ATOM 746 N GLU A 51 80.146 -7.136 4.003 1.00 0.00 N ATOM 747 CA GLU A 51 78.782 -7.667 4.153 1.00 0.00 C ATOM 748 C GLU A 51 77.811 -6.545 4.505 1.00 0.00 C ATOM 749 O GLU A 51 78.164 -5.639 5.264 1.00 0.00 O ATOM 750 CB GLU A 51 78.747 -8.729 5.260 1.00 0.00 C ATOM 751 CG GLU A 51 77.344 -9.329 5.360 1.00 0.00 C ATOM 752 CD GLU A 51 77.343 -10.466 6.376 1.00 0.00 C ATOM 753 OE1 GLU A 51 78.421 -10.881 6.770 1.00 0.00 O ATOM 754 OE2 GLU A 51 76.266 -10.913 6.736 1.00 0.00 O1- ATOM 0 H GLU A 51 80.234 -6.135 4.179 1.00 0.00 H new ATOM 0 HA GLU A 51 78.484 -8.117 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 51 79.473 -9.513 5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 51 79.030 -8.283 6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 51 76.630 -8.561 5.658 1.00 0.00 H new ATOM 0 HG3 GLU A 51 77.026 -9.699 4.385 1.00 0.00 H new ATOM 761 N VAL A 52 76.597 -6.572 3.940 1.00 0.00 N ATOM 762 CA VAL A 52 75.609 -5.523 4.200 1.00 0.00 C ATOM 763 C VAL A 52 74.714 -5.874 5.389 1.00 0.00 C ATOM 764 O VAL A 52 74.328 -7.028 5.573 1.00 0.00 O ATOM 765 CB VAL A 52 74.703 -5.338 2.966 1.00 0.00 C ATOM 766 CG1 VAL A 52 73.985 -3.990 3.053 1.00 0.00 C ATOM 767 CG2 VAL A 52 75.518 -5.394 1.671 1.00 0.00 C ATOM 0 H VAL A 52 76.279 -7.304 3.305 1.00 0.00 H new ATOM 0 HA VAL A 52 76.160 -4.609 4.422 1.00 0.00 H new ATOM 0 HB VAL A 52 73.975 -6.149 2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 52 73.345 -3.861 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 52 73.376 -3.960 3.957 1.00 0.00 H new ATOM 0 HG13 VAL A 52 74.721 -3.187 3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 52 74.854 -5.261 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 52 76.265 -4.601 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 52 76.016 -6.361 1.596 1.00 0.00 H new ATOM 777 N VAL A 53 74.354 -4.855 6.168 1.00 0.00 N ATOM 778 CA VAL A 53 73.464 -5.027 7.318 1.00 0.00 C ATOM 779 C VAL A 53 72.416 -3.916 7.313 1.00 0.00 C ATOM 780 O VAL A 53 72.729 -2.758 7.036 1.00 0.00 O ATOM 781 CB VAL A 53 74.254 -5.000 8.629 1.00 0.00 C ATOM 782 CG1 VAL A 53 75.017 -6.316 8.793 1.00 0.00 C ATOM 783 CG2 VAL A 53 75.248 -3.841 8.610 1.00 0.00 C ATOM 0 H VAL A 53 74.667 -3.895 6.023 1.00 0.00 H new ATOM 0 HA VAL A 53 72.972 -5.997 7.242 1.00 0.00 H new ATOM 0 HB VAL A 53 73.562 -4.870 9.461 1.00 0.00 H new ATOM 0 HG11 VAL A 53 75.579 -6.297 9.726 1.00 0.00 H new ATOM 0 HG12 VAL A 53 74.311 -7.146 8.812 1.00 0.00 H new ATOM 0 HG13 VAL A 53 75.705 -6.444 7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 53 75.808 -3.826 9.545 1.00 0.00 H new ATOM 0 HG22 VAL A 53 75.938 -3.967 7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 53 74.709 -2.901 8.495 1.00 0.00 H new ATOM 793 N PHE A 54 71.168 -4.273 7.615 1.00 0.00 N ATOM 794 CA PHE A 54 70.072 -3.298 7.638 1.00 0.00 C ATOM 795 C PHE A 54 69.715 -2.906 9.067 1.00 0.00 C ATOM 796 O PHE A 54 69.878 -3.685 10.005 1.00 0.00 O ATOM 797 CB PHE A 54 68.823 -3.881 6.947 1.00 0.00 C ATOM 798 CG PHE A 54 68.925 -3.746 5.446 1.00 0.00 C ATOM 799 CD1 PHE A 54 68.652 -2.511 4.849 1.00 0.00 C ATOM 800 CD2 PHE A 54 69.258 -4.850 4.649 1.00 0.00 C ATOM 801 CE1 PHE A 54 68.715 -2.375 3.461 1.00 0.00 C ATOM 802 CE2 PHE A 54 69.317 -4.714 3.256 1.00 0.00 C ATOM 803 CZ PHE A 54 69.044 -3.476 2.661 1.00 0.00 C ATOM 0 H PHE A 54 70.889 -5.226 7.847 1.00 0.00 H new ATOM 0 HA PHE A 54 70.408 -2.410 7.103 1.00 0.00 H new ATOM 0 HB2 PHE A 54 68.711 -4.932 7.215 1.00 0.00 H new ATOM 0 HB3 PHE A 54 67.931 -3.365 7.303 1.00 0.00 H new ATOM 0 HD1 PHE A 54 68.392 -1.661 5.463 1.00 0.00 H new ATOM 0 HD2 PHE A 54 69.469 -5.804 5.108 1.00 0.00 H new ATOM 0 HE1 PHE A 54 68.510 -1.419 3.003 1.00 0.00 H new ATOM 0 HE2 PHE A 54 69.573 -5.564 2.641 1.00 0.00 H new ATOM 0 HZ PHE A 54 69.087 -3.371 1.587 1.00 0.00 H new ATOM 813 N PHE A 55 69.189 -1.690 9.204 1.00 0.00 N ATOM 814 CA PHE A 55 68.757 -1.172 10.499 1.00 0.00 C ATOM 815 C PHE A 55 67.555 -0.254 10.293 1.00 0.00 C ATOM 816 O PHE A 55 67.373 0.305 9.212 1.00 0.00 O ATOM 817 CB PHE A 55 69.890 -0.398 11.185 1.00 0.00 C ATOM 818 CG PHE A 55 71.021 -1.340 11.548 1.00 0.00 C ATOM 819 CD1 PHE A 55 70.871 -2.237 12.613 1.00 0.00 C ATOM 820 CD2 PHE A 55 72.220 -1.308 10.825 1.00 0.00 C ATOM 821 CE1 PHE A 55 71.919 -3.103 12.953 1.00 0.00 C ATOM 822 CE2 PHE A 55 73.268 -2.173 11.167 1.00 0.00 C ATOM 823 CZ PHE A 55 73.117 -3.071 12.229 1.00 0.00 C ATOM 0 H PHE A 55 69.052 -1.042 8.428 1.00 0.00 H new ATOM 0 HA PHE A 55 68.482 -2.010 11.140 1.00 0.00 H new ATOM 0 HB2 PHE A 55 70.258 0.386 10.523 1.00 0.00 H new ATOM 0 HB3 PHE A 55 69.514 0.093 12.082 1.00 0.00 H new ATOM 0 HD1 PHE A 55 69.947 -2.261 13.172 1.00 0.00 H new ATOM 0 HD2 PHE A 55 72.337 -0.616 10.004 1.00 0.00 H new ATOM 0 HE1 PHE A 55 71.803 -3.795 13.774 1.00 0.00 H new ATOM 0 HE2 PHE A 55 74.193 -2.146 10.610 1.00 0.00 H new ATOM 0 HZ PHE A 55 73.924 -3.739 12.490 1.00 0.00 H new ATOM 833 N GLU A 56 66.739 -0.109 11.329 1.00 0.00 N ATOM 834 CA GLU A 56 65.552 0.741 11.257 1.00 0.00 C ATOM 835 C GLU A 56 64.588 0.274 10.151 1.00 0.00 C ATOM 836 O GLU A 56 63.857 1.076 9.573 1.00 0.00 O ATOM 837 CB GLU A 56 65.954 2.204 11.025 1.00 0.00 C ATOM 838 CG GLU A 56 66.752 2.733 12.224 1.00 0.00 C ATOM 839 CD GLU A 56 65.875 2.768 13.472 1.00 0.00 C ATOM 840 OE1 GLU A 56 64.664 2.785 13.320 1.00 0.00 O1- ATOM 841 OE2 GLU A 56 66.426 2.782 14.560 1.00 0.00 O ATOM 0 H GLU A 56 66.875 -0.568 12.230 1.00 0.00 H new ATOM 0 HA GLU A 56 65.031 0.661 12.211 1.00 0.00 H new ATOM 0 HB2 GLU A 56 66.552 2.284 10.117 1.00 0.00 H new ATOM 0 HB3 GLU A 56 65.063 2.814 10.875 1.00 0.00 H new ATOM 0 HG2 GLU A 56 67.621 2.098 12.400 1.00 0.00 H new ATOM 0 HG3 GLU A 56 67.127 3.733 12.007 1.00 0.00 H new ATOM 848 N ASN A 57 64.573 -1.037 9.901 1.00 0.00 N ATOM 849 CA ASN A 57 63.668 -1.643 8.906 1.00 0.00 C ATOM 850 C ASN A 57 63.843 -1.101 7.479 1.00 0.00 C ATOM 851 O ASN A 57 62.877 -0.628 6.881 1.00 0.00 O ATOM 852 CB ASN A 57 62.209 -1.426 9.324 1.00 0.00 C ATOM 853 CG ASN A 57 61.972 -1.937 10.743 1.00 0.00 C ATOM 854 OD1 ASN A 57 61.153 -1.379 11.473 1.00 0.00 O ATOM 855 ND2 ASN A 57 62.639 -2.970 11.182 1.00 0.00 N ATOM 0 H ASN A 57 65.179 -1.708 10.374 1.00 0.00 H new ATOM 0 HA ASN A 57 63.930 -2.701 8.885 1.00 0.00 H new ATOM 0 HB2 ASN A 57 61.964 -0.365 9.268 1.00 0.00 H new ATOM 0 HB3 ASN A 57 61.546 -1.943 8.630 1.00 0.00 H new ATOM 0 HD21 ASN A 57 62.481 -3.314 12.129 1.00 0.00 H new ATOM 0 HD22 ASN A 57 63.318 -3.433 10.578 1.00 0.00 H new ATOM 862 N GLY A 58 65.043 -1.208 6.912 1.00 0.00 N ATOM 863 CA GLY A 58 65.262 -0.757 5.533 1.00 0.00 C ATOM 864 C GLY A 58 65.360 0.761 5.421 1.00 0.00 C ATOM 865 O GLY A 58 65.681 1.290 4.356 1.00 0.00 O ATOM 0 H GLY A 58 65.867 -1.595 7.373 1.00 0.00 H new ATOM 0 HA2 GLY A 58 66.178 -1.206 5.149 1.00 0.00 H new ATOM 0 HA3 GLY A 58 64.445 -1.112 4.904 1.00 0.00 H new ATOM 869 N LEU A 59 65.082 1.455 6.511 1.00 0.00 N ATOM 870 CA LEU A 59 65.141 2.914 6.511 1.00 0.00 C ATOM 871 C LEU A 59 66.594 3.386 6.492 1.00 0.00 C ATOM 872 O LEU A 59 66.893 4.530 6.127 1.00 0.00 O ATOM 873 CB LEU A 59 64.445 3.438 7.768 1.00 0.00 C ATOM 874 CG LEU A 59 64.327 4.968 7.729 1.00 0.00 C ATOM 875 CD1 LEU A 59 63.356 5.406 6.616 1.00 0.00 C ATOM 876 CD2 LEU A 59 63.818 5.462 9.089 1.00 0.00 C ATOM 0 H LEU A 59 64.815 1.040 7.403 1.00 0.00 H new ATOM 0 HA LEU A 59 64.640 3.296 5.621 1.00 0.00 H new ATOM 0 HB2 LEU A 59 63.453 2.994 7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 59 65.005 3.135 8.652 1.00 0.00 H new ATOM 0 HG LEU A 59 65.306 5.400 7.519 1.00 0.00 H new ATOM 0 HD11 LEU A 59 63.284 6.494 6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 59 63.725 5.055 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 59 62.371 4.980 6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 59 63.731 6.548 9.072 1.00 0.00 H new ATOM 0 HD22 LEU A 59 62.842 5.023 9.294 1.00 0.00 H new ATOM 0 HD23 LEU A 59 64.520 5.167 9.869 1.00 0.00 H new ATOM 888 N ARG A 60 67.498 2.478 6.859 1.00 0.00 N ATOM 889 CA ARG A 60 68.930 2.776 6.873 1.00 0.00 C ATOM 890 C ARG A 60 69.700 1.632 6.223 1.00 0.00 C ATOM 891 O ARG A 60 69.344 0.461 6.377 1.00 0.00 O ATOM 892 CB ARG A 60 69.417 2.984 8.315 1.00 0.00 C ATOM 893 CG ARG A 60 70.862 3.490 8.303 1.00 0.00 C ATOM 894 CD ARG A 60 71.366 3.639 9.742 1.00 0.00 C ATOM 895 NE ARG A 60 70.632 4.699 10.428 1.00 0.00 N ATOM 896 CZ ARG A 60 70.865 5.983 10.164 1.00 0.00 C ATOM 897 NH1 ARG A 60 71.782 6.316 9.295 1.00 0.00 N ATOM 898 NH2 ARG A 60 70.181 6.912 10.775 1.00 0.00 N1+ ATOM 0 H ARG A 60 67.264 1.529 7.151 1.00 0.00 H new ATOM 0 HA ARG A 60 69.106 3.693 6.310 1.00 0.00 H new ATOM 0 HB2 ARG A 60 68.775 3.701 8.826 1.00 0.00 H new ATOM 0 HB3 ARG A 60 69.354 2.048 8.869 1.00 0.00 H new ATOM 0 HG2 ARG A 60 71.497 2.794 7.755 1.00 0.00 H new ATOM 0 HG3 ARG A 60 70.918 4.448 7.786 1.00 0.00 H new ATOM 0 HD2 ARG A 60 71.243 2.697 10.277 1.00 0.00 H new ATOM 0 HD3 ARG A 60 72.432 3.868 9.740 1.00 0.00 H new ATOM 0 HE ARG A 60 69.927 4.451 11.123 1.00 0.00 H new ATOM 0 HH11 ARG A 60 72.320 5.592 8.818 1.00 0.00 H new ATOM 0 HH12 ARG A 60 71.960 7.300 9.093 1.00 0.00 H new ATOM 0 HH21 ARG A 60 69.467 6.655 11.456 1.00 0.00 H new ATOM 0 HH22 ARG A 60 70.361 7.895 10.571 1.00 0.00 H new ATOM 912 N HIS A 61 70.772 1.981 5.517 1.00 0.00 N ATOM 913 CA HIS A 61 71.621 0.988 4.853 1.00 0.00 C ATOM 914 C HIS A 61 73.060 1.193 5.295 1.00 0.00 C ATOM 915 O HIS A 61 73.700 2.170 4.910 1.00 0.00 O ATOM 916 CB HIS A 61 71.530 1.138 3.331 1.00 0.00 C ATOM 917 CG HIS A 61 70.102 1.370 2.926 1.00 0.00 C ATOM 918 ND1 HIS A 61 69.300 2.315 3.547 1.00 0.00 N ATOM 919 CD2 HIS A 61 69.318 0.789 1.961 1.00 0.00 C ATOM 920 CE1 HIS A 61 68.093 2.274 2.954 1.00 0.00 C ATOM 921 NE2 HIS A 61 68.050 1.362 1.980 1.00 0.00 N ATOM 0 H HIS A 61 71.077 2.946 5.388 1.00 0.00 H new ATOM 0 HA HIS A 61 71.282 -0.011 5.127 1.00 0.00 H new ATOM 0 HB2 HIS A 61 72.151 1.971 3.001 1.00 0.00 H new ATOM 0 HB3 HIS A 61 71.914 0.241 2.845 1.00 0.00 H new ATOM 0 HD2 HIS A 61 69.637 0.006 1.289 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.260 2.903 3.232 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.258 1.134 1.379 1.00 0.00 H new ATOM 929 N LEU A 62 73.560 0.288 6.130 1.00 0.00 N ATOM 930 CA LEU A 62 74.920 0.396 6.651 1.00 0.00 C ATOM 931 C LEU A 62 75.770 -0.770 6.146 1.00 0.00 C ATOM 932 O LEU A 62 75.479 -1.929 6.425 1.00 0.00 O ATOM 933 CB LEU A 62 74.819 0.373 8.181 1.00 0.00 C ATOM 934 CG LEU A 62 76.134 0.811 8.849 1.00 0.00 C ATOM 935 CD1 LEU A 62 75.829 1.244 10.288 1.00 0.00 C ATOM 936 CD2 LEU A 62 77.149 -0.347 8.874 1.00 0.00 C ATOM 0 H LEU A 62 73.045 -0.528 6.461 1.00 0.00 H new ATOM 0 HA LEU A 62 75.397 1.317 6.315 1.00 0.00 H new ATOM 0 HB2 LEU A 62 74.012 1.032 8.502 1.00 0.00 H new ATOM 0 HB3 LEU A 62 74.561 -0.633 8.513 1.00 0.00 H new ATOM 0 HG LEU A 62 76.565 1.635 8.280 1.00 0.00 H new ATOM 0 HD11 LEU A 62 76.751 1.558 10.777 1.00 0.00 H new ATOM 0 HD12 LEU A 62 75.124 2.075 10.276 1.00 0.00 H new ATOM 0 HD13 LEU A 62 75.395 0.407 10.835 1.00 0.00 H new ATOM 0 HD21 LEU A 62 78.070 -0.013 9.351 1.00 0.00 H new ATOM 0 HD22 LEU A 62 76.733 -1.184 9.435 1.00 0.00 H new ATOM 0 HD23 LEU A 62 77.363 -0.665 7.854 1.00 0.00 H new ATOM 948 N LEU A 63 76.828 -0.445 5.399 1.00 0.00 N ATOM 949 CA LEU A 63 77.733 -1.462 4.842 1.00 0.00 C ATOM 950 C LEU A 63 79.087 -1.384 5.529 1.00 0.00 C ATOM 951 O LEU A 63 79.709 -0.322 5.546 1.00 0.00 O ATOM 952 CB LEU A 63 77.910 -1.205 3.332 1.00 0.00 C ATOM 953 CG LEU A 63 79.101 -2.008 2.766 1.00 0.00 C ATOM 954 CD1 LEU A 63 78.876 -3.508 3.000 1.00 0.00 C ATOM 955 CD2 LEU A 63 79.234 -1.723 1.266 1.00 0.00 C ATOM 0 H LEU A 63 77.082 0.515 5.164 1.00 0.00 H new ATOM 0 HA LEU A 63 77.308 -2.453 5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 63 76.998 -1.481 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 63 78.069 -0.141 3.158 1.00 0.00 H new ATOM 0 HG LEU A 63 80.018 -1.709 3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 63 79.720 -4.069 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 63 78.788 -3.700 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 63 77.960 -3.821 2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 63 80.074 -2.288 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 63 78.318 -2.021 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 63 79.405 -0.658 1.112 1.00 0.00 H new ATOM 967 N LEU A 64 79.555 -2.495 6.110 1.00 0.00 N ATOM 968 CA LEU A 64 80.841 -2.493 6.804 1.00 0.00 C ATOM 969 C LEU A 64 81.947 -3.133 5.957 1.00 0.00 C ATOM 970 O LEU A 64 81.803 -4.246 5.434 1.00 0.00 O ATOM 971 CB LEU A 64 80.700 -3.264 8.121 1.00 0.00 C ATOM 972 CG LEU A 64 81.987 -3.158 8.954 1.00 0.00 C ATOM 973 CD1 LEU A 64 82.267 -1.690 9.331 1.00 0.00 C ATOM 974 CD2 LEU A 64 81.821 -3.997 10.227 1.00 0.00 C ATOM 0 H LEU A 64 79.069 -3.392 6.112 1.00 0.00 H new ATOM 0 HA LEU A 64 81.123 -1.457 6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 64 79.859 -2.869 8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 64 80.481 -4.311 7.913 1.00 0.00 H new ATOM 0 HG LEU A 64 82.828 -3.528 8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 64 83.182 -1.634 9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 64 82.383 -1.097 8.424 1.00 0.00 H new ATOM 0 HD13 LEU A 64 81.434 -1.299 9.916 1.00 0.00 H new ATOM 0 HD21 LEU A 64 82.728 -3.930 10.828 1.00 0.00 H new ATOM 0 HD22 LEU A 64 80.976 -3.621 10.803 1.00 0.00 H new ATOM 0 HD23 LEU A 64 81.641 -5.037 9.956 1.00 0.00 H new ATOM 986 N LEU A 65 83.059 -2.405 5.870 1.00 0.00 N ATOM 987 CA LEU A 65 84.256 -2.833 5.144 1.00 0.00 C ATOM 988 C LEU A 65 85.362 -3.078 6.163 1.00 0.00 C ATOM 989 O LEU A 65 85.217 -2.707 7.334 1.00 0.00 O ATOM 990 CB LEU A 65 84.695 -1.762 4.141 1.00 0.00 C ATOM 991 CG LEU A 65 83.585 -1.490 3.117 1.00 0.00 C ATOM 992 CD1 LEU A 65 84.025 -0.345 2.202 1.00 0.00 C ATOM 993 CD2 LEU A 65 83.321 -2.742 2.267 1.00 0.00 C ATOM 0 H LEU A 65 83.156 -1.489 6.307 1.00 0.00 H new ATOM 0 HA LEU A 65 84.042 -3.744 4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 65 84.942 -0.841 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 65 85.599 -2.087 3.627 1.00 0.00 H new ATOM 0 HG LEU A 65 82.669 -1.224 3.645 1.00 0.00 H new ATOM 0 HD11 LEU A 65 83.243 -0.143 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 65 84.203 0.550 2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 65 84.943 -0.625 1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 65 82.531 -2.532 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 65 84.232 -3.021 1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 65 83.013 -3.563 2.914 1.00 0.00 H new ATOM 1005 N LYS A 66 86.480 -3.661 5.731 1.00 0.00 N ATOM 1006 CA LYS A 66 87.582 -3.931 6.652 1.00 0.00 C ATOM 1007 C LYS A 66 88.914 -4.047 5.911 1.00 0.00 C ATOM 1008 O LYS A 66 88.949 -4.156 4.685 1.00 0.00 O ATOM 1009 CB LYS A 66 87.280 -5.238 7.401 1.00 0.00 C ATOM 1010 CG LYS A 66 88.045 -5.297 8.729 1.00 0.00 C ATOM 1011 CD LYS A 66 87.557 -6.497 9.550 1.00 0.00 C ATOM 1012 CE LYS A 66 87.934 -7.806 8.849 1.00 0.00 C ATOM 1013 NZ LYS A 66 87.831 -8.930 9.820 1.00 0.00 N1+ ATOM 0 H LYS A 66 86.645 -3.951 4.767 1.00 0.00 H new ATOM 0 HA LYS A 66 87.671 -3.102 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 66 86.209 -5.315 7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 66 87.556 -6.090 6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 66 89.115 -5.383 8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 66 87.893 -4.374 9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 66 87.999 -6.469 10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 66 86.476 -6.443 9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 66 87.273 -7.981 8.000 1.00 0.00 H new ATOM 0 HE3 LYS A 66 88.948 -7.742 8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 87.749 -9.829 9.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 88.682 -8.951 10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 86.991 -8.796 10.418 1.00 0.00 H new ATOM 1027 N ASN A 67 90.003 -4.067 6.681 1.00 0.00 N ATOM 1028 CA ASN A 67 91.345 -4.219 6.117 1.00 0.00 C ATOM 1029 C ASN A 67 91.467 -3.492 4.777 1.00 0.00 C ATOM 1030 O ASN A 67 91.921 -4.069 3.788 1.00 0.00 O ATOM 1031 CB ASN A 67 91.656 -5.709 5.936 1.00 0.00 C ATOM 1032 CG ASN A 67 93.140 -5.912 5.642 1.00 0.00 C ATOM 1033 OD1 ASN A 67 93.695 -5.264 4.756 1.00 0.00 O ATOM 1034 ND2 ASN A 67 93.820 -6.779 6.341 1.00 0.00 N ATOM 0 H ASN A 67 89.982 -3.980 7.697 1.00 0.00 H new ATOM 0 HA ASN A 67 92.063 -3.774 6.806 1.00 0.00 H new ATOM 0 HB2 ASN A 67 91.379 -6.257 6.837 1.00 0.00 H new ATOM 0 HB3 ASN A 67 91.058 -6.115 5.120 1.00 0.00 H new ATOM 0 HD21 ASN A 67 94.813 -6.920 6.153 1.00 0.00 H new ATOM 0 HD22 ASN A 67 93.359 -7.316 7.076 1.00 0.00 H new ATOM 1041 N LEU A 68 91.025 -2.240 4.736 1.00 0.00 N ATOM 1042 CA LEU A 68 91.060 -1.477 3.491 1.00 0.00 C ATOM 1043 C LEU A 68 92.486 -1.129 3.071 1.00 0.00 C ATOM 1044 O LEU A 68 93.164 -0.337 3.720 1.00 0.00 O ATOM 1045 CB LEU A 68 90.248 -0.177 3.639 1.00 0.00 C ATOM 1046 CG LEU A 68 88.724 -0.470 3.632 1.00 0.00 C ATOM 1047 CD1 LEU A 68 88.227 -0.715 5.061 1.00 0.00 C ATOM 1048 CD2 LEU A 68 87.969 0.728 3.040 1.00 0.00 C ATOM 0 H LEU A 68 90.643 -1.737 5.537 1.00 0.00 H new ATOM 0 HA LEU A 68 90.621 -2.108 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 68 90.522 0.323 4.568 1.00 0.00 H new ATOM 0 HB3 LEU A 68 90.495 0.505 2.825 1.00 0.00 H new ATOM 0 HG LEU A 68 88.542 -1.358 3.027 1.00 0.00 H new ATOM 0 HD11 LEU A 68 87.156 -0.920 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 68 88.753 -1.569 5.488 1.00 0.00 H new ATOM 0 HD13 LEU A 68 88.418 0.169 5.669 1.00 0.00 H new ATOM 0 HD21 LEU A 68 86.899 0.518 3.037 1.00 0.00 H new ATOM 0 HD22 LEU A 68 88.163 1.615 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 68 88.308 0.903 2.019 1.00 0.00 H new ATOM 1060 N ARG A 69 92.905 -1.701 1.941 1.00 0.00 N ATOM 1061 CA ARG A 69 94.230 -1.443 1.369 1.00 0.00 C ATOM 1062 C ARG A 69 94.067 -0.447 0.214 1.00 0.00 C ATOM 1063 O ARG A 69 92.955 0.013 -0.041 1.00 0.00 O ATOM 1064 CB ARG A 69 94.864 -2.770 0.880 1.00 0.00 C ATOM 1065 CG ARG A 69 94.192 -3.958 1.582 1.00 0.00 C ATOM 1066 CD ARG A 69 94.950 -5.247 1.256 1.00 0.00 C ATOM 1067 NE ARG A 69 94.316 -6.387 1.924 1.00 0.00 N ATOM 1068 CZ ARG A 69 93.542 -7.247 1.261 1.00 0.00 C ATOM 1069 NH1 ARG A 69 92.320 -6.916 0.942 1.00 0.00 N1+ ATOM 1070 NH2 ARG A 69 94.005 -8.422 0.933 1.00 0.00 N ATOM 0 H ARG A 69 92.339 -2.353 1.398 1.00 0.00 H new ATOM 0 HA ARG A 69 94.896 -1.019 2.121 1.00 0.00 H new ATOM 0 HB2 ARG A 69 94.749 -2.862 -0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 69 95.934 -2.771 1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 69 94.178 -3.796 2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 69 93.154 -4.044 1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 69 94.962 -5.408 0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 69 95.988 -5.159 1.577 1.00 0.00 H new ATOM 0 HE ARG A 69 94.471 -6.526 2.923 1.00 0.00 H new ATOM 0 HH11 ARG A 69 91.956 -5.999 1.200 1.00 0.00 H new ATOM 0 HH12 ARG A 69 91.729 -7.575 0.435 1.00 0.00 H new ATOM 0 HH21 ARG A 69 94.959 -8.683 1.184 1.00 0.00 H new ATOM 0 HH22 ARG A 69 93.413 -9.080 0.426 1.00 0.00 H new ATOM 1084 N PRO A 70 95.118 -0.086 -0.483 1.00 0.00 N ATOM 1085 CA PRO A 70 94.998 0.884 -1.603 1.00 0.00 C ATOM 1086 C PRO A 70 94.199 0.285 -2.760 1.00 0.00 C ATOM 1087 O PRO A 70 93.510 0.993 -3.493 1.00 0.00 O ATOM 1088 CB PRO A 70 96.455 1.214 -2.011 1.00 0.00 C ATOM 1089 CG PRO A 70 97.363 0.420 -1.097 1.00 0.00 C ATOM 1090 CD PRO A 70 96.493 -0.568 -0.301 1.00 0.00 C ATOM 0 HA PRO A 70 94.457 1.785 -1.314 1.00 0.00 H new ATOM 0 HB2 PRO A 70 96.632 0.951 -3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 70 96.650 2.282 -1.914 1.00 0.00 H new ATOM 0 HG2 PRO A 70 98.114 -0.116 -1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 70 97.899 1.086 -0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 70 96.608 -1.586 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 70 96.772 -0.581 0.753 1.00 0.00 H new ATOM 1098 N GLN A 71 94.330 -1.025 -2.919 1.00 0.00 N ATOM 1099 CA GLN A 71 93.653 -1.734 -3.998 1.00 0.00 C ATOM 1100 C GLN A 71 92.151 -1.462 -3.988 1.00 0.00 C ATOM 1101 O GLN A 71 91.573 -1.128 -5.023 1.00 0.00 O ATOM 1102 CB GLN A 71 93.895 -3.239 -3.852 1.00 0.00 C ATOM 1103 CG GLN A 71 93.352 -3.982 -5.079 1.00 0.00 C ATOM 1104 CD GLN A 71 94.179 -3.623 -6.307 1.00 0.00 C ATOM 1105 OE1 GLN A 71 93.641 -3.122 -7.295 1.00 0.00 O ATOM 1106 NE2 GLN A 71 95.466 -3.846 -6.302 1.00 0.00 N ATOM 0 H GLN A 71 94.899 -1.619 -2.315 1.00 0.00 H new ATOM 0 HA GLN A 71 94.059 -1.376 -4.944 1.00 0.00 H new ATOM 0 HB2 GLN A 71 94.962 -3.435 -3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 71 93.408 -3.608 -2.949 1.00 0.00 H new ATOM 0 HG2 GLN A 71 93.386 -5.058 -4.908 1.00 0.00 H new ATOM 0 HG3 GLN A 71 92.307 -3.718 -5.243 1.00 0.00 H new ATOM 0 HE21 GLN A 71 95.908 -4.261 -5.482 1.00 0.00 H new ATOM 0 HE22 GLN A 71 96.029 -3.605 -7.118 1.00 0.00 H new ATOM 1115 N ASP A 72 91.509 -1.662 -2.842 1.00 0.00 N ATOM 1116 CA ASP A 72 90.064 -1.494 -2.740 1.00 0.00 C ATOM 1117 C ASP A 72 89.553 -0.198 -3.371 1.00 0.00 C ATOM 1118 O ASP A 72 88.425 -0.176 -3.863 1.00 0.00 O ATOM 1119 CB ASP A 72 89.641 -1.548 -1.270 1.00 0.00 C ATOM 1120 CG ASP A 72 90.409 -0.512 -0.455 1.00 0.00 C ATOM 1121 OD1 ASP A 72 90.772 0.508 -1.016 1.00 0.00 O1- ATOM 1122 OD2 ASP A 72 90.618 -0.752 0.722 1.00 0.00 O ATOM 0 H ASP A 72 91.965 -1.940 -1.973 1.00 0.00 H new ATOM 0 HA ASP A 72 89.617 -2.314 -3.302 1.00 0.00 H new ATOM 0 HB2 ASP A 72 88.570 -1.364 -1.187 1.00 0.00 H new ATOM 0 HB3 ASP A 72 89.825 -2.545 -0.869 1.00 0.00 H new ATOM 1127 N SER A 73 90.342 0.883 -3.341 1.00 0.00 N ATOM 1128 CA SER A 73 89.895 2.165 -3.904 1.00 0.00 C ATOM 1129 C SER A 73 89.004 1.973 -5.126 1.00 0.00 C ATOM 1130 O SER A 73 89.484 1.717 -6.231 1.00 0.00 O ATOM 1131 CB SER A 73 91.104 3.012 -4.294 1.00 0.00 C ATOM 1132 OG SER A 73 91.642 2.528 -5.517 1.00 0.00 O ATOM 0 H SER A 73 91.280 0.898 -2.939 1.00 0.00 H new ATOM 0 HA SER A 73 89.311 2.671 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 73 90.812 4.057 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 73 91.860 2.971 -3.509 1.00 0.00 H new ATOM 0 HG SER A 73 90.941 2.517 -6.201 1.00 0.00 H new ATOM 1138 N CYS A 74 87.700 2.105 -4.905 1.00 0.00 N ATOM 1139 CA CYS A 74 86.717 1.947 -5.982 1.00 0.00 C ATOM 1140 C CYS A 74 85.457 2.754 -5.685 1.00 0.00 C ATOM 1141 O CYS A 74 85.341 3.392 -4.641 1.00 0.00 O ATOM 1142 CB CYS A 74 86.345 0.472 -6.158 1.00 0.00 C ATOM 1143 SG CYS A 74 87.793 -0.458 -6.719 1.00 0.00 S ATOM 0 H CYS A 74 87.296 2.320 -3.994 1.00 0.00 H new ATOM 0 HA CYS A 74 87.168 2.316 -6.903 1.00 0.00 H new ATOM 0 HB2 CYS A 74 85.981 0.064 -5.215 1.00 0.00 H new ATOM 0 HB3 CYS A 74 85.535 0.375 -6.881 1.00 0.00 H new ATOM 0 HG CYS A 74 88.803 0.350 -6.852 1.00 0.00 H new ATOM 1149 N ARG A 75 84.522 2.754 -6.633 1.00 0.00 N ATOM 1150 CA ARG A 75 83.287 3.519 -6.469 1.00 0.00 C ATOM 1151 C ARG A 75 82.209 2.710 -5.762 1.00 0.00 C ATOM 1152 O ARG A 75 82.153 1.485 -5.875 1.00 0.00 O ATOM 1153 CB ARG A 75 82.728 3.974 -7.823 1.00 0.00 C ATOM 1154 CG ARG A 75 83.827 4.505 -8.755 1.00 0.00 C ATOM 1155 CD ARG A 75 84.867 5.331 -7.993 1.00 0.00 C ATOM 1156 NE ARG A 75 85.666 6.115 -8.934 1.00 0.00 N ATOM 1157 CZ ARG A 75 86.628 5.554 -9.662 1.00 0.00 C ATOM 1158 NH1 ARG A 75 86.329 4.650 -10.556 1.00 0.00 N1+ ATOM 1159 NH2 ARG A 75 87.871 5.912 -9.490 1.00 0.00 N ATOM 0 H ARG A 75 84.593 2.240 -7.511 1.00 0.00 H new ATOM 0 HA ARG A 75 83.548 4.386 -5.862 1.00 0.00 H new ATOM 0 HB2 ARG A 75 82.219 3.138 -8.303 1.00 0.00 H new ATOM 0 HB3 ARG A 75 81.982 4.752 -7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 75 84.319 3.668 -9.251 1.00 0.00 H new ATOM 0 HG3 ARG A 75 83.377 5.118 -9.536 1.00 0.00 H new ATOM 0 HD2 ARG A 75 84.370 5.993 -7.284 1.00 0.00 H new ATOM 0 HD3 ARG A 75 85.514 4.672 -7.414 1.00 0.00 H new ATOM 0 HE ARG A 75 85.482 7.113 -9.034 1.00 0.00 H new ATOM 0 HH11 ARG A 75 85.357 4.374 -10.697 1.00 0.00 H new ATOM 0 HH12 ARG A 75 87.067 4.220 -11.114 1.00 0.00 H new ATOM 0 HH21 ARG A 75 88.106 6.623 -8.797 1.00 0.00 H new ATOM 0 HH22 ARG A 75 88.608 5.481 -10.049 1.00 0.00 H new ATOM 1173 N VAL A 76 81.320 3.426 -5.079 1.00 0.00 N ATOM 1174 CA VAL A 76 80.189 2.811 -4.395 1.00 0.00 C ATOM 1175 C VAL A 76 78.913 3.302 -5.065 1.00 0.00 C ATOM 1176 O VAL A 76 78.663 4.503 -5.112 1.00 0.00 O ATOM 1177 CB VAL A 76 80.178 3.198 -2.912 1.00 0.00 C ATOM 1178 CG1 VAL A 76 79.024 2.487 -2.198 1.00 0.00 C ATOM 1179 CG2 VAL A 76 81.500 2.780 -2.267 1.00 0.00 C ATOM 0 H VAL A 76 81.363 4.441 -4.985 1.00 0.00 H new ATOM 0 HA VAL A 76 80.265 1.725 -4.459 1.00 0.00 H new ATOM 0 HB VAL A 76 80.049 4.277 -2.825 1.00 0.00 H new ATOM 0 HG11 VAL A 76 79.021 2.766 -1.144 1.00 0.00 H new ATOM 0 HG12 VAL A 76 78.078 2.780 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 76 79.150 1.408 -2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 76 81.493 3.055 -1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 76 81.625 1.701 -2.360 1.00 0.00 H new ATOM 0 HG23 VAL A 76 82.325 3.286 -2.768 1.00 0.00 H new ATOM 1189 N THR A 77 78.117 2.376 -5.599 1.00 0.00 N ATOM 1190 CA THR A 77 76.874 2.749 -6.283 1.00 0.00 C ATOM 1191 C THR A 77 75.682 2.021 -5.681 1.00 0.00 C ATOM 1192 O THR A 77 75.671 0.795 -5.581 1.00 0.00 O ATOM 1193 CB THR A 77 76.971 2.404 -7.771 1.00 0.00 C ATOM 1194 OG1 THR A 77 78.119 3.030 -8.329 1.00 0.00 O ATOM 1195 CG2 THR A 77 75.717 2.906 -8.490 1.00 0.00 C ATOM 0 H THR A 77 78.305 1.374 -5.574 1.00 0.00 H new ATOM 0 HA THR A 77 76.732 3.823 -6.160 1.00 0.00 H new ATOM 0 HB THR A 77 77.053 1.324 -7.890 1.00 0.00 H new ATOM 0 HG1 THR A 77 78.182 2.808 -9.281 1.00 0.00 H new ATOM 0 HG21 THR A 77 75.783 2.662 -9.550 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.836 2.428 -8.062 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.637 3.987 -8.371 1.00 0.00 H new ATOM 1203 N PHE A 78 74.673 2.795 -5.295 1.00 0.00 N ATOM 1204 CA PHE A 78 73.451 2.245 -4.711 1.00 0.00 C ATOM 1205 C PHE A 78 72.248 2.754 -5.496 1.00 0.00 C ATOM 1206 O PHE A 78 71.980 3.953 -5.523 1.00 0.00 O ATOM 1207 CB PHE A 78 73.353 2.678 -3.248 1.00 0.00 C ATOM 1208 CG PHE A 78 72.091 2.127 -2.629 1.00 0.00 C ATOM 1209 CD1 PHE A 78 71.960 0.749 -2.419 1.00 0.00 C ATOM 1210 CD2 PHE A 78 71.056 2.993 -2.251 1.00 0.00 C ATOM 1211 CE1 PHE A 78 70.797 0.237 -1.836 1.00 0.00 C ATOM 1212 CE2 PHE A 78 69.894 2.479 -1.666 1.00 0.00 C ATOM 1213 CZ PHE A 78 69.764 1.102 -1.459 1.00 0.00 C ATOM 0 H PHE A 78 74.676 3.812 -5.376 1.00 0.00 H new ATOM 0 HA PHE A 78 73.470 1.156 -4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 78 74.223 2.323 -2.696 1.00 0.00 H new ATOM 0 HB3 PHE A 78 73.355 3.766 -3.181 1.00 0.00 H new ATOM 0 HD1 PHE A 78 72.758 0.081 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 78 71.155 4.056 -2.411 1.00 0.00 H new ATOM 0 HE1 PHE A 78 70.696 -0.826 -1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 78 69.096 3.146 -1.374 1.00 0.00 H new ATOM 0 HZ PHE A 78 68.866 0.706 -1.008 1.00 0.00 H new ATOM 1223 N LEU A 79 71.540 1.840 -6.158 1.00 0.00 N ATOM 1224 CA LEU A 79 70.377 2.210 -6.971 1.00 0.00 C ATOM 1225 C LEU A 79 69.068 1.708 -6.361 1.00 0.00 C ATOM 1226 O LEU A 79 68.644 0.577 -6.601 1.00 0.00 O ATOM 1227 CB LEU A 79 70.556 1.631 -8.382 1.00 0.00 C ATOM 1228 CG LEU A 79 69.273 1.798 -9.209 1.00 0.00 C ATOM 1229 CD1 LEU A 79 68.802 3.253 -9.158 1.00 0.00 C ATOM 1230 CD2 LEU A 79 69.569 1.416 -10.660 1.00 0.00 C ATOM 0 H LEU A 79 71.748 0.842 -6.149 1.00 0.00 H new ATOM 0 HA LEU A 79 70.316 3.298 -7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 79 71.384 2.132 -8.883 1.00 0.00 H new ATOM 0 HB3 LEU A 79 70.816 0.575 -8.316 1.00 0.00 H new ATOM 0 HG LEU A 79 68.492 1.157 -8.801 1.00 0.00 H new ATOM 0 HD11 LEU A 79 67.892 3.362 -9.747 1.00 0.00 H new ATOM 0 HD12 LEU A 79 68.601 3.534 -8.124 1.00 0.00 H new ATOM 0 HD13 LEU A 79 69.578 3.901 -9.566 1.00 0.00 H new ATOM 0 HD21 LEU A 79 68.665 1.530 -11.258 1.00 0.00 H new ATOM 0 HD22 LEU A 79 70.350 2.065 -11.055 1.00 0.00 H new ATOM 0 HD23 LEU A 79 69.903 0.379 -10.702 1.00 0.00 H new ATOM 1242 N ALA A 80 68.432 2.567 -5.567 1.00 0.00 N ATOM 1243 CA ALA A 80 67.160 2.232 -4.919 1.00 0.00 C ATOM 1244 C ALA A 80 66.024 3.012 -5.577 1.00 0.00 C ATOM 1245 O ALA A 80 65.788 4.174 -5.244 1.00 0.00 O ATOM 1246 CB ALA A 80 67.231 2.576 -3.427 1.00 0.00 C ATOM 0 H ALA A 80 68.776 3.504 -5.355 1.00 0.00 H new ATOM 0 HA ALA A 80 66.972 1.164 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 80 66.283 2.325 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 80 68.034 2.006 -2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 80 67.426 3.642 -3.308 1.00 0.00 H new ATOM 1252 N GLY A 81 65.333 2.376 -6.517 1.00 0.00 N ATOM 1253 CA GLY A 81 64.238 3.040 -7.212 1.00 0.00 C ATOM 1254 C GLY A 81 64.764 4.260 -7.956 1.00 0.00 C ATOM 1255 O GLY A 81 65.964 4.371 -8.197 1.00 0.00 O ATOM 0 H GLY A 81 65.508 1.415 -6.812 1.00 0.00 H new ATOM 0 HA2 GLY A 81 63.768 2.350 -7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 81 63.471 3.341 -6.498 1.00 0.00 H new ATOM 1259 N ASP A 82 63.865 5.160 -8.340 1.00 0.00 N ATOM 1260 CA ASP A 82 64.243 6.365 -9.079 1.00 0.00 C ATOM 1261 C ASP A 82 65.276 7.225 -8.333 1.00 0.00 C ATOM 1262 O ASP A 82 65.388 8.421 -8.604 1.00 0.00 O ATOM 1263 CB ASP A 82 62.989 7.211 -9.317 1.00 0.00 C ATOM 1264 CG ASP A 82 62.026 6.476 -10.243 1.00 0.00 C ATOM 1265 OD1 ASP A 82 62.490 5.654 -11.016 1.00 0.00 O1- ATOM 1266 OD2 ASP A 82 60.838 6.748 -10.167 1.00 0.00 O ATOM 0 H ASP A 82 62.866 5.080 -8.152 1.00 0.00 H new ATOM 0 HA ASP A 82 64.698 6.042 -10.015 1.00 0.00 H new ATOM 0 HB2 ASP A 82 62.500 7.424 -8.367 1.00 0.00 H new ATOM 0 HB3 ASP A 82 63.266 8.170 -9.755 1.00 0.00 H new ATOM 1271 N MET A 83 66.025 6.633 -7.396 1.00 0.00 N ATOM 1272 CA MET A 83 67.028 7.385 -6.631 1.00 0.00 C ATOM 1273 C MET A 83 68.388 6.686 -6.658 1.00 0.00 C ATOM 1274 O MET A 83 68.471 5.465 -6.515 1.00 0.00 O ATOM 1275 CB MET A 83 66.563 7.522 -5.179 1.00 0.00 C ATOM 1276 CG MET A 83 65.112 8.063 -5.119 1.00 0.00 C ATOM 1277 SD MET A 83 63.970 6.730 -4.645 1.00 0.00 S ATOM 1278 CE MET A 83 64.459 6.589 -2.906 1.00 0.00 C ATOM 0 H MET A 83 65.958 5.645 -7.150 1.00 0.00 H new ATOM 0 HA MET A 83 67.137 8.368 -7.089 1.00 0.00 H new ATOM 0 HB2 MET A 83 66.617 6.554 -4.682 1.00 0.00 H new ATOM 0 HB3 MET A 83 67.230 8.195 -4.640 1.00 0.00 H new ATOM 0 HG2 MET A 83 65.049 8.880 -4.400 1.00 0.00 H new ATOM 0 HG3 MET A 83 64.826 8.470 -6.089 1.00 0.00 H new ATOM 0 HE1 MET A 83 63.620 6.210 -2.322 1.00 0.00 H new ATOM 0 HE2 MET A 83 65.301 5.903 -2.819 1.00 0.00 H new ATOM 0 HE3 MET A 83 64.750 7.570 -2.529 1.00 0.00 H new ATOM 1288 N VAL A 84 69.456 7.470 -6.846 1.00 0.00 N ATOM 1289 CA VAL A 84 70.817 6.921 -6.894 1.00 0.00 C ATOM 1290 C VAL A 84 71.787 7.764 -6.052 1.00 0.00 C ATOM 1291 O VAL A 84 71.825 8.990 -6.167 1.00 0.00 O ATOM 1292 CB VAL A 84 71.289 6.876 -8.356 1.00 0.00 C ATOM 1293 CG1 VAL A 84 71.024 8.229 -9.023 1.00 0.00 C ATOM 1294 CG2 VAL A 84 72.790 6.559 -8.417 1.00 0.00 C ATOM 0 H VAL A 84 69.405 8.482 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 84 70.804 5.914 -6.476 1.00 0.00 H new ATOM 0 HB VAL A 84 70.739 6.096 -8.882 1.00 0.00 H new ATOM 0 HG11 VAL A 84 71.359 8.195 -10.060 1.00 0.00 H new ATOM 0 HG12 VAL A 84 69.956 8.446 -8.994 1.00 0.00 H new ATOM 0 HG13 VAL A 84 71.568 9.010 -8.491 1.00 0.00 H new ATOM 0 HG21 VAL A 84 73.114 6.530 -9.457 1.00 0.00 H new ATOM 0 HG22 VAL A 84 73.347 7.331 -7.885 1.00 0.00 H new ATOM 0 HG23 VAL A 84 72.977 5.591 -7.951 1.00 0.00 H new ATOM 1304 N THR A 85 72.583 7.083 -5.218 1.00 0.00 N ATOM 1305 CA THR A 85 73.581 7.741 -4.363 1.00 0.00 C ATOM 1306 C THR A 85 74.936 7.060 -4.567 1.00 0.00 C ATOM 1307 O THR A 85 75.036 5.838 -4.456 1.00 0.00 O ATOM 1308 CB THR A 85 73.173 7.624 -2.882 1.00 0.00 C ATOM 1309 OG1 THR A 85 73.666 6.400 -2.361 1.00 0.00 O ATOM 1310 CG2 THR A 85 71.646 7.648 -2.757 1.00 0.00 C ATOM 0 H THR A 85 72.555 6.068 -5.117 1.00 0.00 H new ATOM 0 HA THR A 85 73.645 8.796 -4.631 1.00 0.00 H new ATOM 0 HB THR A 85 73.591 8.462 -2.325 1.00 0.00 H new ATOM 0 HG1 THR A 85 73.957 5.824 -3.099 1.00 0.00 H new ATOM 0 HG21 THR A 85 71.366 7.565 -1.707 1.00 0.00 H new ATOM 0 HG22 THR A 85 71.262 8.584 -3.162 1.00 0.00 H new ATOM 0 HG23 THR A 85 71.222 6.812 -3.313 1.00 0.00 H new ATOM 1318 N SER A 86 75.980 7.835 -4.872 1.00 0.00 N ATOM 1319 CA SER A 86 77.306 7.246 -5.094 1.00 0.00 C ATOM 1320 C SER A 86 78.429 8.212 -4.724 1.00 0.00 C ATOM 1321 O SER A 86 78.276 9.430 -4.827 1.00 0.00 O ATOM 1322 CB SER A 86 77.453 6.840 -6.561 1.00 0.00 C ATOM 1323 OG SER A 86 78.749 6.298 -6.769 1.00 0.00 O ATOM 0 H SER A 86 75.938 8.849 -4.970 1.00 0.00 H new ATOM 0 HA SER A 86 77.388 6.371 -4.450 1.00 0.00 H new ATOM 0 HB2 SER A 86 76.692 6.106 -6.825 1.00 0.00 H new ATOM 0 HB3 SER A 86 77.300 7.704 -7.207 1.00 0.00 H new ATOM 0 HG SER A 86 78.763 5.362 -6.478 1.00 0.00 H new ATOM 1329 N ALA A 87 79.557 7.650 -4.275 1.00 0.00 N ATOM 1330 CA ALA A 87 80.708 8.452 -3.868 1.00 0.00 C ATOM 1331 C ALA A 87 81.997 7.663 -4.068 1.00 0.00 C ATOM 1332 O ALA A 87 81.972 6.442 -4.219 1.00 0.00 O ATOM 1333 CB ALA A 87 80.578 8.852 -2.396 1.00 0.00 C ATOM 0 H ALA A 87 79.694 6.643 -4.186 1.00 0.00 H new ATOM 0 HA ALA A 87 80.739 9.351 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 87 81.442 9.449 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 87 79.668 9.436 -2.257 1.00 0.00 H new ATOM 0 HB3 ALA A 87 80.531 7.955 -1.778 1.00 0.00 H new ATOM 1339 N PHE A 88 83.117 8.370 -4.090 1.00 0.00 N ATOM 1340 CA PHE A 88 84.414 7.732 -4.298 1.00 0.00 C ATOM 1341 C PHE A 88 84.972 7.126 -3.011 1.00 0.00 C ATOM 1342 O PHE A 88 84.501 7.411 -1.906 1.00 0.00 O ATOM 1343 CB PHE A 88 85.409 8.761 -4.833 1.00 0.00 C ATOM 1344 CG PHE A 88 84.879 9.345 -6.117 1.00 0.00 C ATOM 1345 CD1 PHE A 88 83.991 10.426 -6.077 1.00 0.00 C ATOM 1346 CD2 PHE A 88 85.272 8.805 -7.346 1.00 0.00 C ATOM 1347 CE1 PHE A 88 83.494 10.966 -7.268 1.00 0.00 C ATOM 1348 CE2 PHE A 88 84.776 9.344 -8.538 1.00 0.00 C ATOM 1349 CZ PHE A 88 83.887 10.425 -8.499 1.00 0.00 C ATOM 0 H PHE A 88 83.157 9.382 -3.967 1.00 0.00 H new ATOM 0 HA PHE A 88 84.269 6.925 -5.016 1.00 0.00 H new ATOM 0 HB2 PHE A 88 85.564 9.551 -4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 88 86.378 8.292 -5.006 1.00 0.00 H new ATOM 0 HD1 PHE A 88 83.690 10.843 -5.127 1.00 0.00 H new ATOM 0 HD2 PHE A 88 85.959 7.972 -7.375 1.00 0.00 H new ATOM 0 HE1 PHE A 88 82.808 11.799 -7.238 1.00 0.00 H new ATOM 0 HE2 PHE A 88 85.078 8.927 -9.487 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.504 10.842 -9.419 1.00 0.00 H new ATOM 1359 N LEU A 89 86.022 6.319 -3.180 1.00 0.00 N ATOM 1360 CA LEU A 89 86.723 5.682 -2.064 1.00 0.00 C ATOM 1361 C LEU A 89 88.201 6.044 -2.151 1.00 0.00 C ATOM 1362 O LEU A 89 88.783 6.032 -3.236 1.00 0.00 O ATOM 1363 CB LEU A 89 86.560 4.160 -2.127 1.00 0.00 C ATOM 1364 CG LEU A 89 87.345 3.480 -0.993 1.00 0.00 C ATOM 1365 CD1 LEU A 89 86.916 4.035 0.374 1.00 0.00 C ATOM 1366 CD2 LEU A 89 87.074 1.972 -1.042 1.00 0.00 C ATOM 0 H LEU A 89 86.410 6.089 -4.095 1.00 0.00 H new ATOM 0 HA LEU A 89 86.302 6.033 -1.122 1.00 0.00 H new ATOM 0 HB2 LEU A 89 85.504 3.899 -2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 89 86.912 3.792 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 89 88.409 3.678 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 89 87.484 3.540 1.162 1.00 0.00 H new ATOM 0 HD12 LEU A 89 87.107 5.108 0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 89 85.852 3.852 0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 89 87.625 1.477 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 89 86.007 1.790 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 89 87.397 1.575 -2.005 1.00 0.00 H new ATOM 1378 N THR A 90 88.808 6.371 -1.015 1.00 0.00 N ATOM 1379 CA THR A 90 90.225 6.740 -0.988 1.00 0.00 C ATOM 1380 C THR A 90 90.950 6.003 0.136 1.00 0.00 C ATOM 1381 O THR A 90 90.629 6.181 1.310 1.00 0.00 O ATOM 1382 CB THR A 90 90.354 8.252 -0.781 1.00 0.00 C ATOM 1383 OG1 THR A 90 89.481 8.656 0.262 1.00 0.00 O ATOM 1384 CG2 THR A 90 89.980 8.987 -2.070 1.00 0.00 C ATOM 0 H THR A 90 88.348 6.389 -0.105 1.00 0.00 H new ATOM 0 HA THR A 90 90.680 6.459 -1.938 1.00 0.00 H new ATOM 0 HB THR A 90 91.383 8.494 -0.517 1.00 0.00 H new ATOM 0 HG1 THR A 90 89.127 7.864 0.718 1.00 0.00 H new ATOM 0 HG21 THR A 90 90.074 10.062 -1.916 1.00 0.00 H new ATOM 0 HG22 THR A 90 90.648 8.676 -2.873 1.00 0.00 H new ATOM 0 HG23 THR A 90 88.952 8.748 -2.340 1.00 0.00 H new ATOM 1392 N VAL A 91 91.945 5.187 -0.230 1.00 0.00 N ATOM 1393 CA VAL A 91 92.725 4.443 0.774 1.00 0.00 C ATOM 1394 C VAL A 91 94.222 4.486 0.456 1.00 0.00 C ATOM 1395 O VAL A 91 94.633 4.139 -0.652 1.00 0.00 O ATOM 1396 CB VAL A 91 92.277 2.983 0.794 1.00 0.00 C ATOM 1397 CG1 VAL A 91 93.024 2.241 1.901 1.00 0.00 C ATOM 1398 CG2 VAL A 91 90.770 2.905 1.047 1.00 0.00 C ATOM 0 H VAL A 91 92.228 5.024 -1.196 1.00 0.00 H new ATOM 0 HA VAL A 91 92.554 4.911 1.743 1.00 0.00 H new ATOM 0 HB VAL A 91 92.499 2.523 -0.169 1.00 0.00 H new ATOM 0 HG11 VAL A 91 92.707 1.198 1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 91 94.096 2.291 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 91 92.802 2.704 2.863 1.00 0.00 H new ATOM 0 HG21 VAL A 91 90.457 1.861 1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 91 90.538 3.366 2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 91 90.240 3.433 0.254 1.00 0.00 H new ATOM 1408 N ARG A 92 95.042 4.938 1.419 1.00 0.00 N ATOM 1409 CA ARG A 92 96.498 5.045 1.201 1.00 0.00 C ATOM 1410 C ARG A 92 97.287 3.989 1.978 1.00 0.00 C ATOM 1411 O ARG A 92 96.941 3.638 3.106 1.00 0.00 O ATOM 1412 CB ARG A 92 96.981 6.437 1.632 1.00 0.00 C ATOM 1413 CG ARG A 92 96.254 7.537 0.841 1.00 0.00 C ATOM 1414 CD ARG A 92 96.669 7.495 -0.632 1.00 0.00 C ATOM 1415 NE ARG A 92 96.146 8.667 -1.341 1.00 0.00 N ATOM 1416 CZ ARG A 92 95.061 8.588 -2.112 1.00 0.00 C ATOM 1417 NH1 ARG A 92 93.873 8.660 -1.577 1.00 0.00 N ATOM 1418 NH2 ARG A 92 95.186 8.432 -3.402 1.00 0.00 N1+ ATOM 0 H ARG A 92 94.730 5.232 2.344 1.00 0.00 H new ATOM 0 HA ARG A 92 96.675 4.881 0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 92 96.805 6.574 2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 92 98.056 6.519 1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 92 95.176 7.403 0.926 1.00 0.00 H new ATOM 0 HG3 ARG A 92 96.488 8.514 1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 92 97.756 7.469 -0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 92 96.294 6.583 -1.097 1.00 0.00 H new ATOM 0 HE ARG A 92 96.623 9.563 -1.242 1.00 0.00 H new ATOM 0 HH11 ARG A 92 93.774 8.777 -0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 92 93.043 8.600 -2.167 1.00 0.00 H new ATOM 0 HH21 ARG A 92 96.114 8.370 -3.821 1.00 0.00 H new ATOM 0 HH22 ARG A 92 94.356 8.372 -3.991 1.00 0.00 H new ATOM 1432 N GLY A 93 98.357 3.490 1.346 1.00 0.00 N ATOM 1433 CA GLY A 93 99.214 2.475 1.957 1.00 0.00 C ATOM 1434 C GLY A 93 100.614 2.484 1.337 1.00 0.00 C ATOM 1435 O GLY A 93 100.760 2.461 0.115 1.00 0.00 O ATOM 0 H GLY A 93 98.647 3.775 0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 93 99.288 2.655 3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 93 98.764 1.491 1.829 1.00 0.00 H new ATOM 1439 N GLY A 94 101.642 2.504 2.189 1.00 0.00 N ATOM 1440 CA GLY A 94 103.026 2.500 1.710 1.00 0.00 C ATOM 1441 C GLY A 94 103.550 1.072 1.605 1.00 0.00 C ATOM 1442 O GLY A 94 103.906 0.455 2.610 1.00 0.00 O ATOM 0 H GLY A 94 101.544 2.523 3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 94 103.082 2.987 0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 94 103.654 3.075 2.390 1.00 0.00 H new ATOM 1446 N LEU A 95 103.585 0.543 0.379 1.00 0.00 N ATOM 1447 CA LEU A 95 104.058 -0.823 0.145 1.00 0.00 C ATOM 1448 C LEU A 95 105.424 -0.821 -0.541 1.00 0.00 C ATOM 1449 O LEU A 95 106.139 -1.823 -0.519 1.00 0.00 O ATOM 1450 CB LEU A 95 103.045 -1.559 -0.737 1.00 0.00 C ATOM 1451 CG LEU A 95 101.714 -1.709 0.016 1.00 0.00 C ATOM 1452 CD1 LEU A 95 100.644 -2.224 -0.950 1.00 0.00 C ATOM 1453 CD2 LEU A 95 101.871 -2.694 1.196 1.00 0.00 C ATOM 0 H LEU A 95 103.293 1.038 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 95 104.159 -1.327 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 95 102.889 -1.009 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 95 103.432 -2.541 -1.010 1.00 0.00 H new ATOM 0 HG LEU A 95 101.416 -0.738 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 95 99.697 -2.332 -0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 95 100.522 -1.516 -1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 95 100.949 -3.191 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 95 100.920 -2.789 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 95 102.176 -3.669 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 95 102.628 -2.319 1.885 1.00 0.00 H new ATOM 1465 N GLU A 96 105.784 0.310 -1.144 1.00 0.00 N ATOM 1466 CA GLU A 96 107.070 0.431 -1.831 1.00 0.00 C ATOM 1467 C GLU A 96 108.167 0.860 -0.858 1.00 0.00 C ATOM 1468 O GLU A 96 108.084 1.923 -0.243 1.00 0.00 O ATOM 1469 CB GLU A 96 106.955 1.448 -2.968 1.00 0.00 C ATOM 1470 CG GLU A 96 106.066 0.877 -4.075 1.00 0.00 C ATOM 1471 CD GLU A 96 105.821 1.933 -5.149 1.00 0.00 C ATOM 1472 OE1 GLU A 96 106.530 2.925 -5.149 1.00 0.00 O1- ATOM 1473 OE2 GLU A 96 104.936 1.725 -5.964 1.00 0.00 O ATOM 0 H GLU A 96 105.208 1.151 -1.172 1.00 0.00 H new ATOM 0 HA GLU A 96 107.337 -0.543 -2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 96 106.534 2.381 -2.594 1.00 0.00 H new ATOM 0 HB3 GLU A 96 107.944 1.680 -3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 96 106.540 0.001 -4.517 1.00 0.00 H new ATOM 0 HG3 GLU A 96 105.116 0.547 -3.655 1.00 0.00 H new ATOM 1480 N HIS A 97 109.190 0.020 -0.723 1.00 0.00 N ATOM 1481 CA HIS A 97 110.302 0.310 0.180 1.00 0.00 C ATOM 1482 C HIS A 97 111.292 1.279 -0.460 1.00 0.00 C ATOM 1483 O HIS A 97 111.454 2.413 -0.004 1.00 0.00 O ATOM 1484 CB HIS A 97 111.031 -0.986 0.540 1.00 0.00 C ATOM 1485 CG HIS A 97 110.150 -1.836 1.414 1.00 0.00 C ATOM 1486 ND1 HIS A 97 109.321 -2.819 0.897 1.00 0.00 N ATOM 1487 CD2 HIS A 97 109.962 -1.863 2.773 1.00 0.00 C ATOM 1488 CE1 HIS A 97 108.679 -3.392 1.930 1.00 0.00 C ATOM 1489 NE2 HIS A 97 109.031 -2.846 3.098 1.00 0.00 N ATOM 0 H HIS A 97 109.273 -0.864 -1.225 1.00 0.00 H new ATOM 0 HA HIS A 97 109.893 0.770 1.079 1.00 0.00 H new ATOM 0 HB2 HIS A 97 111.294 -1.531 -0.367 1.00 0.00 H new ATOM 0 HB3 HIS A 97 111.963 -0.759 1.058 1.00 0.00 H new ATOM 0 HD2 HIS A 97 110.460 -1.219 3.483 1.00 0.00 H new ATOM 0 HE1 HIS A 97 107.965 -4.196 1.828 1.00 0.00 H new ATOM 0 HE2 HIS A 97 108.691 -3.095 4.027 1.00 0.00 H new ATOM 1497 N HIS A 98 111.958 0.819 -1.516 1.00 0.00 N ATOM 1498 CA HIS A 98 112.941 1.644 -2.213 1.00 0.00 C ATOM 1499 C HIS A 98 113.166 1.115 -3.624 1.00 0.00 C ATOM 1500 O HIS A 98 113.959 0.197 -3.831 1.00 0.00 O ATOM 1501 CB HIS A 98 114.267 1.630 -1.453 1.00 0.00 C ATOM 1502 CG HIS A 98 115.187 2.666 -2.038 1.00 0.00 C ATOM 1503 ND1 HIS A 98 115.990 2.407 -3.138 1.00 0.00 N ATOM 1504 CD2 HIS A 98 115.440 3.969 -1.688 1.00 0.00 C ATOM 1505 CE1 HIS A 98 116.681 3.530 -3.408 1.00 0.00 C ATOM 1506 NE2 HIS A 98 116.382 4.513 -2.554 1.00 0.00 N ATOM 0 H HIS A 98 111.836 -0.115 -1.906 1.00 0.00 H new ATOM 0 HA HIS A 98 112.562 2.665 -2.267 1.00 0.00 H new ATOM 0 HB2 HIS A 98 114.096 1.835 -0.396 1.00 0.00 H new ATOM 0 HB3 HIS A 98 114.725 0.643 -1.516 1.00 0.00 H new ATOM 0 HD2 HIS A 98 114.977 4.492 -0.864 1.00 0.00 H new ATOM 0 HE1 HIS A 98 117.391 3.625 -4.217 1.00 0.00 H new ATOM 0 HE2 HIS A 98 116.763 5.459 -2.540 1.00 0.00 H new ATOM 1514 N HIS A 99 112.459 1.696 -4.592 1.00 0.00 N ATOM 1515 CA HIS A 99 112.579 1.276 -5.991 1.00 0.00 C ATOM 1516 C HIS A 99 113.219 2.375 -6.838 1.00 0.00 C ATOM 1517 O HIS A 99 113.940 2.090 -7.794 1.00 0.00 O ATOM 1518 CB HIS A 99 111.192 0.937 -6.539 1.00 0.00 C ATOM 1519 CG HIS A 99 111.312 0.444 -7.953 1.00 0.00 C ATOM 1520 ND1 HIS A 99 111.076 1.266 -9.043 1.00 0.00 N ATOM 1521 CD2 HIS A 99 111.642 -0.783 -8.473 1.00 0.00 C ATOM 1522 CE1 HIS A 99 111.265 0.531 -10.154 1.00 0.00 C ATOM 1523 NE2 HIS A 99 111.611 -0.726 -9.863 1.00 0.00 N ATOM 0 H HIS A 99 111.798 2.457 -4.436 1.00 0.00 H new ATOM 0 HA HIS A 99 113.219 0.395 -6.038 1.00 0.00 H new ATOM 0 HB2 HIS A 99 110.721 0.176 -5.917 1.00 0.00 H new ATOM 0 HB3 HIS A 99 110.551 1.818 -6.504 1.00 0.00 H new ATOM 0 HD2 HIS A 99 111.888 -1.659 -7.892 1.00 0.00 H new ATOM 0 HE1 HIS A 99 111.151 0.911 -11.159 1.00 0.00 H new ATOM 0 HE2 HIS A 99 111.810 -1.482 -10.519 1.00 0.00 H new ATOM 1531 N HIS A 100 112.954 3.632 -6.481 1.00 0.00 N ATOM 1532 CA HIS A 100 113.516 4.763 -7.221 1.00 0.00 C ATOM 1533 C HIS A 100 114.913 5.100 -6.709 1.00 0.00 C ATOM 1534 O HIS A 100 115.347 4.582 -5.680 1.00 0.00 O ATOM 1535 CB HIS A 100 112.607 5.989 -7.092 1.00 0.00 C ATOM 1536 CG HIS A 100 112.465 6.379 -5.646 1.00 0.00 C ATOM 1537 ND1 HIS A 100 113.550 6.446 -4.784 1.00 0.00 N ATOM 1538 CD2 HIS A 100 111.371 6.739 -4.900 1.00 0.00 C ATOM 1539 CE1 HIS A 100 113.087 6.834 -3.582 1.00 0.00 C ATOM 1540 NE2 HIS A 100 111.765 7.026 -3.597 1.00 0.00 N ATOM 0 H HIS A 100 112.361 3.892 -5.693 1.00 0.00 H new ATOM 0 HA HIS A 100 113.586 4.481 -8.271 1.00 0.00 H new ATOM 0 HB2 HIS A 100 113.022 6.820 -7.662 1.00 0.00 H new ATOM 0 HB3 HIS A 100 111.627 5.770 -7.515 1.00 0.00 H new ATOM 0 HD2 HIS A 100 110.357 6.792 -5.269 1.00 0.00 H new ATOM 0 HE1 HIS A 100 113.709 6.973 -2.710 1.00 0.00 H new ATOM 0 HE2 HIS A 100 111.172 7.320 -2.821 1.00 0.00 H new ATOM 1548 N HIS A 101 115.616 5.966 -7.440 1.00 0.00 N ATOM 1549 CA HIS A 101 116.974 6.366 -7.065 1.00 0.00 C ATOM 1550 C HIS A 101 117.137 7.877 -7.186 1.00 0.00 C ATOM 1551 O HIS A 101 116.451 8.521 -7.980 1.00 0.00 O ATOM 1552 CB HIS A 101 117.980 5.672 -7.983 1.00 0.00 C ATOM 1553 CG HIS A 101 117.805 4.184 -7.874 1.00 0.00 C ATOM 1554 ND1 HIS A 101 118.337 3.451 -6.825 1.00 0.00 N ATOM 1555 CD2 HIS A 101 117.150 3.280 -8.671 1.00 0.00 C ATOM 1556 CE1 HIS A 101 117.994 2.163 -7.017 1.00 0.00 C ATOM 1557 NE2 HIS A 101 117.269 2.004 -8.127 1.00 0.00 N ATOM 0 H HIS A 101 115.269 6.403 -8.294 1.00 0.00 H new ATOM 0 HA HIS A 101 117.153 6.074 -6.030 1.00 0.00 H new ATOM 0 HB2 HIS A 101 117.831 5.993 -9.014 1.00 0.00 H new ATOM 0 HB3 HIS A 101 118.996 5.952 -7.706 1.00 0.00 H new ATOM 0 HD2 HIS A 101 116.622 3.521 -9.582 1.00 0.00 H new ATOM 0 HE1 HIS A 101 118.271 1.357 -6.354 1.00 0.00 H new ATOM 0 HE2 HIS A 101 116.885 1.134 -8.497 1.00 0.00 H new ATOM 1565 N HIS A 102 118.050 8.436 -6.399 1.00 0.00 N ATOM 1566 CA HIS A 102 118.290 9.873 -6.435 1.00 0.00 C ATOM 1567 C HIS A 102 119.587 10.219 -5.710 1.00 0.00 C ATOM 1568 O HIS A 102 120.638 9.855 -6.212 1.00 0.00 O ATOM 1569 CB HIS A 102 117.123 10.613 -5.779 1.00 0.00 C ATOM 1570 CG HIS A 102 117.282 12.090 -6.007 1.00 0.00 C ATOM 1571 ND1 HIS A 102 117.888 12.920 -5.077 1.00 0.00 N ATOM 1572 CD2 HIS A 102 116.926 12.900 -7.057 1.00 0.00 C ATOM 1573 CE1 HIS A 102 117.881 14.166 -5.581 1.00 0.00 C ATOM 1574 NE2 HIS A 102 117.307 14.210 -6.786 1.00 0.00 N ATOM 1575 OXT HIS A 102 119.511 10.842 -4.664 1.00 0.00 O ATOM 0 H HIS A 102 118.630 7.922 -5.736 1.00 0.00 H new ATOM 0 HA HIS A 102 118.377 10.182 -7.477 1.00 0.00 H new ATOM 0 HB2 HIS A 102 116.177 10.268 -6.197 1.00 0.00 H new ATOM 0 HB3 HIS A 102 117.096 10.399 -4.711 1.00 0.00 H new ATOM 0 HD1 HIS A 102 118.270 12.637 -4.175 1.00 0.00 H new ATOM 0 HD2 HIS A 102 116.426 12.570 -7.956 1.00 0.00 H new ATOM 0 HE1 HIS A 102 118.290 15.027 -5.073 1.00 0.00 H new TER 1583 HIS A 102