USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 464 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 20 GLN : amide:sc= -3.39! C(o=-3.6!,f=-8.7!) USER MOD Set 1.2: A 30 LYS NZ :NH3+ -128:sc= -0.245 (180deg=-2.28!) USER MOD Set 2.1: A 4 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0555 K(o=-0.056,f=-0.71) USER MOD Single : A 10 MET CE :methyl -115:sc= -6.37! (180deg=-11.8!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 129:sc= -1.07 USER MOD Single : A 29 ASN : amide:sc= -0.304 K(o=-0.3,f=-0.83) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 34 LYS NZ :NH3+ -124:sc= -0.284 (180deg=-1.95) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 85:sc= 0.426 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.03) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 80:sc= -2.52 USER MOD Single : A 50 SER OG : rot 180:sc= 0.0676 USER MOD Single : A 54 GLN : amide:sc= -0.0914 K(o=-0.091,f=-2.2!) USER MOD Single : A 55 MET CE :methyl 143:sc= -0.228 (180deg=-1.22) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.595 -12.856 -4.029 1.00 0.00 N ATOM 2 CA MET A 1 -11.278 -11.939 -3.134 1.00 0.00 C ATOM 3 C MET A 1 -10.294 -11.291 -2.158 1.00 0.00 C ATOM 4 O MET A 1 -9.258 -11.872 -1.836 1.00 0.00 O ATOM 5 CB MET A 1 -12.350 -12.697 -2.348 1.00 0.00 C ATOM 6 CG MET A 1 -13.649 -11.892 -2.276 1.00 0.00 C ATOM 7 SD MET A 1 -14.540 -12.303 -0.786 1.00 0.00 S ATOM 8 CE MET A 1 -16.153 -11.661 -1.201 1.00 0.00 C ATOM 0 H1 MET A 1 -11.284 -13.282 -4.681 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.877 -12.338 -4.574 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.135 -13.605 -3.473 1.00 0.00 H new ATOM 0 HA MET A 1 -11.739 -11.153 -3.732 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.541 -13.660 -2.822 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.989 -12.903 -1.340 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.427 -10.825 -2.294 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.267 -12.104 -3.149 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.839 -11.836 -0.372 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.080 -10.590 -1.392 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.526 -12.164 -2.093 1.00 0.00 H new ATOM 16 N ALA A 2 -10.652 -10.095 -1.713 1.00 0.00 N ATOM 17 CA ALA A 2 -9.813 -9.362 -0.781 1.00 0.00 C ATOM 18 C ALA A 2 -9.841 -10.059 0.581 1.00 0.00 C ATOM 19 O ALA A 2 -10.892 -10.514 1.028 1.00 0.00 O ATOM 20 CB ALA A 2 -10.287 -7.909 -0.701 1.00 0.00 C ATOM 0 H ALA A 2 -11.512 -9.616 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.779 -9.350 -1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.657 -7.359 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -10.221 -7.450 -1.687 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.321 -7.882 -0.357 1.00 0.00 H new ATOM 26 N ASP A 3 -8.672 -10.120 1.202 1.00 0.00 N ATOM 27 CA ASP A 3 -8.549 -10.754 2.504 1.00 0.00 C ATOM 28 C ASP A 3 -7.191 -10.400 3.112 1.00 0.00 C ATOM 29 O ASP A 3 -7.100 -10.094 4.300 1.00 0.00 O ATOM 30 CB ASP A 3 -8.631 -12.277 2.385 1.00 0.00 C ATOM 31 CG ASP A 3 -10.049 -12.852 2.404 1.00 0.00 C ATOM 32 OD1 ASP A 3 -10.905 -12.228 3.067 1.00 0.00 O ATOM 33 OD2 ASP A 3 -10.245 -13.902 1.754 1.00 0.00 O ATOM 0 H ASP A 3 -7.802 -9.741 0.828 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.366 -10.397 3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.144 -12.581 1.458 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.064 -12.721 3.203 1.00 0.00 H new ATOM 37 N SER A 4 -6.169 -10.454 2.271 1.00 0.00 N ATOM 38 CA SER A 4 -4.820 -10.143 2.711 1.00 0.00 C ATOM 39 C SER A 4 -3.819 -10.461 1.599 1.00 0.00 C ATOM 40 O SER A 4 -2.905 -9.681 1.338 1.00 0.00 O ATOM 41 CB SER A 4 -4.463 -10.915 3.984 1.00 0.00 C ATOM 42 OG SER A 4 -3.055 -10.976 4.193 1.00 0.00 O ATOM 0 H SER A 4 -6.248 -10.709 1.286 1.00 0.00 H new ATOM 0 HA SER A 4 -4.773 -9.078 2.939 1.00 0.00 H new ATOM 0 HB2 SER A 4 -4.937 -10.438 4.842 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.864 -11.926 3.919 1.00 0.00 H new ATOM 0 HG SER A 4 -2.868 -11.475 5.015 1.00 0.00 H new ATOM 47 N ALA A 5 -4.027 -11.611 0.972 1.00 0.00 N ATOM 48 CA ALA A 5 -3.154 -12.042 -0.107 1.00 0.00 C ATOM 49 C ALA A 5 -3.323 -11.101 -1.301 1.00 0.00 C ATOM 50 O ALA A 5 -2.351 -10.774 -1.980 1.00 0.00 O ATOM 51 CB ALA A 5 -3.465 -13.498 -0.463 1.00 0.00 C ATOM 0 H ALA A 5 -4.786 -12.256 1.191 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.110 -11.997 0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.811 -13.822 -1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.302 -14.129 0.411 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.504 -13.581 -0.781 1.00 0.00 H new ATOM 57 N GLU A 6 -4.564 -10.692 -1.520 1.00 0.00 N ATOM 58 CA GLU A 6 -4.872 -9.795 -2.621 1.00 0.00 C ATOM 59 C GLU A 6 -4.337 -8.391 -2.327 1.00 0.00 C ATOM 60 O GLU A 6 -3.802 -7.729 -3.214 1.00 0.00 O ATOM 61 CB GLU A 6 -6.377 -9.761 -2.896 1.00 0.00 C ATOM 62 CG GLU A 6 -6.763 -8.504 -3.677 1.00 0.00 C ATOM 63 CD GLU A 6 -7.828 -8.820 -4.731 1.00 0.00 C ATOM 64 OE1 GLU A 6 -7.625 -9.811 -5.465 1.00 0.00 O ATOM 65 OE2 GLU A 6 -8.821 -8.061 -4.777 1.00 0.00 O ATOM 0 H GLU A 6 -5.368 -10.965 -0.954 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.380 -10.170 -3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -6.667 -10.647 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -6.923 -9.790 -1.953 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.139 -7.746 -2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.880 -8.086 -4.161 1.00 0.00 H new ATOM 70 N LEU A 7 -4.501 -7.980 -1.079 1.00 0.00 N ATOM 71 CA LEU A 7 -4.042 -6.666 -0.657 1.00 0.00 C ATOM 72 C LEU A 7 -2.528 -6.572 -0.858 1.00 0.00 C ATOM 73 O LEU A 7 -2.020 -5.543 -1.301 1.00 0.00 O ATOM 74 CB LEU A 7 -4.491 -6.377 0.777 1.00 0.00 C ATOM 75 CG LEU A 7 -6.001 -6.385 1.021 1.00 0.00 C ATOM 76 CD1 LEU A 7 -6.314 -6.347 2.518 1.00 0.00 C ATOM 77 CD2 LEU A 7 -6.685 -5.247 0.263 1.00 0.00 C ATOM 0 H LEU A 7 -4.945 -8.533 -0.346 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.495 -5.888 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.033 -7.114 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.101 -5.402 1.069 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.405 -7.319 0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.394 -6.353 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.877 -7.220 3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.894 -5.441 2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.758 -5.276 0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.282 -4.292 0.600 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.504 -5.361 -0.806 1.00 0.00 H new ATOM 88 N LYS A 8 -1.850 -7.660 -0.525 1.00 0.00 N ATOM 89 CA LYS A 8 -0.404 -7.713 -0.664 1.00 0.00 C ATOM 90 C LYS A 8 -0.036 -7.641 -2.147 1.00 0.00 C ATOM 91 O LYS A 8 0.922 -6.966 -2.520 1.00 0.00 O ATOM 92 CB LYS A 8 0.158 -8.943 0.051 1.00 0.00 C ATOM 93 CG LYS A 8 1.172 -8.538 1.124 1.00 0.00 C ATOM 94 CD LYS A 8 1.152 -9.522 2.295 1.00 0.00 C ATOM 95 CE LYS A 8 -0.188 -9.472 3.031 1.00 0.00 C ATOM 96 NZ LYS A 8 0.026 -9.449 4.495 1.00 0.00 N ATOM 0 H LYS A 8 -2.275 -8.512 -0.159 1.00 0.00 H new ATOM 0 HA LYS A 8 0.058 -6.853 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.656 -9.506 0.508 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.634 -9.603 -0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.171 -8.503 0.690 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.945 -7.534 1.484 1.00 0.00 H new ATOM 0 HD2 LYS A 8 1.332 -10.533 1.928 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.960 -9.285 2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.745 -8.586 2.725 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.792 -10.338 2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.893 -9.415 4.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.539 -10.306 4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.584 -8.609 4.751 1.00 0.00 H new ATOM 106 N GLN A 9 -0.816 -8.347 -2.953 1.00 0.00 N ATOM 107 CA GLN A 9 -0.583 -8.372 -4.387 1.00 0.00 C ATOM 108 C GLN A 9 -0.842 -6.990 -4.990 1.00 0.00 C ATOM 109 O GLN A 9 -0.076 -6.523 -5.832 1.00 0.00 O ATOM 110 CB GLN A 9 -1.449 -9.436 -5.064 1.00 0.00 C ATOM 111 CG GLN A 9 -1.653 -9.116 -6.546 1.00 0.00 C ATOM 112 CD GLN A 9 -1.614 -10.389 -7.392 1.00 0.00 C ATOM 113 OE1 GLN A 9 -1.902 -11.482 -6.931 1.00 0.00 O ATOM 114 NE2 GLN A 9 -1.242 -10.189 -8.654 1.00 0.00 N ATOM 0 H GLN A 9 -1.610 -8.906 -2.640 1.00 0.00 H new ATOM 0 HA GLN A 9 0.460 -8.634 -4.562 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -0.977 -10.413 -4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.416 -9.495 -4.565 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -2.610 -8.612 -6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -0.878 -8.427 -6.883 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.015 -9.248 -8.976 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.184 -10.977 -9.300 1.00 0.00 H new ATOM 121 N MET A 10 -1.924 -6.374 -4.537 1.00 0.00 N ATOM 122 CA MET A 10 -2.293 -5.054 -5.021 1.00 0.00 C ATOM 123 C MET A 10 -1.325 -3.989 -4.504 1.00 0.00 C ATOM 124 O MET A 10 -0.939 -3.084 -5.243 1.00 0.00 O ATOM 125 CB MET A 10 -3.713 -4.720 -4.561 1.00 0.00 C ATOM 126 CG MET A 10 -4.735 -5.655 -5.211 1.00 0.00 C ATOM 127 SD MET A 10 -6.337 -5.425 -4.459 1.00 0.00 S ATOM 128 CE MET A 10 -6.486 -3.651 -4.582 1.00 0.00 C ATOM 0 H MET A 10 -2.558 -6.765 -3.840 1.00 0.00 H new ATOM 0 HA MET A 10 -2.246 -5.061 -6.110 1.00 0.00 H new ATOM 0 HB2 MET A 10 -3.777 -4.804 -3.476 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.948 -3.686 -4.815 1.00 0.00 H new ATOM 0 HG2 MET A 10 -4.794 -5.455 -6.281 1.00 0.00 H new ATOM 0 HG3 MET A 10 -4.416 -6.691 -5.097 1.00 0.00 H new ATOM 0 HE1 MET A 10 -6.501 -3.217 -3.582 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.637 -3.252 -5.138 1.00 0.00 H new ATOM 0 HE3 MET A 10 -7.411 -3.399 -5.101 1.00 0.00 H new ATOM 136 N VAL A 11 -0.958 -4.133 -3.240 1.00 0.00 N ATOM 137 CA VAL A 11 -0.041 -3.195 -2.615 1.00 0.00 C ATOM 138 C VAL A 11 1.344 -3.342 -3.249 1.00 0.00 C ATOM 139 O VAL A 11 2.057 -2.356 -3.428 1.00 0.00 O ATOM 140 CB VAL A 11 -0.030 -3.404 -1.099 1.00 0.00 C ATOM 141 CG1 VAL A 11 1.287 -2.918 -0.489 1.00 0.00 C ATOM 142 CG2 VAL A 11 -1.226 -2.714 -0.442 1.00 0.00 C ATOM 0 H VAL A 11 -1.279 -4.886 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.369 -2.170 -2.786 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.114 -4.474 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 11 1.269 -3.078 0.589 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.117 -3.474 -0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.414 -1.855 -0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.194 -2.878 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.187 -1.644 -0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.151 -3.127 -0.845 1.00 0.00 H new ATOM 152 N MET A 12 1.682 -4.582 -3.572 1.00 0.00 N ATOM 153 CA MET A 12 2.969 -4.871 -4.183 1.00 0.00 C ATOM 154 C MET A 12 3.060 -4.260 -5.583 1.00 0.00 C ATOM 155 O MET A 12 4.126 -4.268 -6.199 1.00 0.00 O ATOM 156 CB MET A 12 3.162 -6.386 -4.273 1.00 0.00 C ATOM 157 CG MET A 12 3.740 -6.943 -2.970 1.00 0.00 C ATOM 158 SD MET A 12 5.265 -7.810 -3.300 1.00 0.00 S ATOM 159 CE MET A 12 4.877 -9.400 -2.586 1.00 0.00 C ATOM 0 H MET A 12 1.088 -5.397 -3.422 1.00 0.00 H new ATOM 0 HA MET A 12 3.752 -4.432 -3.564 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.207 -6.866 -4.486 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.829 -6.623 -5.102 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.919 -6.131 -2.265 1.00 0.00 H new ATOM 0 HG3 MET A 12 3.022 -7.618 -2.503 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.728 -10.070 -2.706 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.657 -9.279 -1.525 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.009 -9.823 -3.091 1.00 0.00 H new ATOM 167 N SER A 13 1.930 -3.747 -6.046 1.00 0.00 N ATOM 168 CA SER A 13 1.870 -3.134 -7.362 1.00 0.00 C ATOM 169 C SER A 13 1.798 -1.612 -7.228 1.00 0.00 C ATOM 170 O SER A 13 1.788 -0.897 -8.228 1.00 0.00 O ATOM 171 CB SER A 13 0.670 -3.654 -8.157 1.00 0.00 C ATOM 172 OG SER A 13 1.065 -4.261 -9.384 1.00 0.00 O ATOM 0 H SER A 13 1.048 -3.743 -5.533 1.00 0.00 H new ATOM 0 HA SER A 13 2.776 -3.402 -7.906 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.122 -4.378 -7.554 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.013 -2.830 -8.364 1.00 0.00 H new ATOM 0 HG SER A 13 0.271 -4.581 -9.861 1.00 0.00 H new ATOM 177 N LEU A 14 1.750 -1.162 -5.982 1.00 0.00 N ATOM 178 CA LEU A 14 1.680 0.263 -5.703 1.00 0.00 C ATOM 179 C LEU A 14 3.046 0.897 -5.966 1.00 0.00 C ATOM 180 O LEU A 14 4.072 0.223 -5.892 1.00 0.00 O ATOM 181 CB LEU A 14 1.150 0.507 -4.290 1.00 0.00 C ATOM 182 CG LEU A 14 -0.335 0.205 -4.068 1.00 0.00 C ATOM 183 CD1 LEU A 14 -0.726 0.426 -2.606 1.00 0.00 C ATOM 184 CD2 LEU A 14 -1.207 1.020 -5.023 1.00 0.00 C ATOM 0 H LEU A 14 1.758 -1.759 -5.155 1.00 0.00 H new ATOM 0 HA LEU A 14 0.969 0.748 -6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.731 -0.100 -3.596 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.331 1.550 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.508 -0.848 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.785 0.205 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.136 -0.232 -1.968 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.535 1.463 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.257 0.787 -4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.037 2.083 -4.853 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.950 0.771 -6.053 1.00 0.00 H new ATOM 195 N ARG A 15 3.017 2.188 -6.266 1.00 0.00 N ATOM 196 CA ARG A 15 4.241 2.921 -6.540 1.00 0.00 C ATOM 197 C ARG A 15 4.733 3.623 -5.273 1.00 0.00 C ATOM 198 O ARG A 15 4.007 3.709 -4.285 1.00 0.00 O ATOM 199 CB ARG A 15 4.025 3.962 -7.641 1.00 0.00 C ATOM 200 CG ARG A 15 4.342 3.375 -9.019 1.00 0.00 C ATOM 201 CD ARG A 15 4.863 4.457 -9.968 1.00 0.00 C ATOM 202 NE ARG A 15 5.793 3.859 -10.951 1.00 0.00 N ATOM 203 CZ ARG A 15 6.634 4.569 -11.717 1.00 0.00 C ATOM 204 NH1 ARG A 15 6.667 5.904 -11.615 1.00 0.00 N ATOM 205 NH2 ARG A 15 7.443 3.942 -12.583 1.00 0.00 N ATOM 0 H ARG A 15 2.164 2.745 -6.325 1.00 0.00 H new ATOM 0 HA ARG A 15 4.990 2.204 -6.876 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.993 4.311 -7.619 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.659 4.829 -7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.086 2.584 -8.919 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.446 2.918 -9.439 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.029 4.932 -10.485 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.371 5.237 -9.401 1.00 0.00 H new ATOM 0 HE ARG A 15 5.795 2.844 -11.052 1.00 0.00 H new ATOM 0 HH11 ARG A 15 6.053 6.380 -10.955 1.00 0.00 H new ATOM 0 HH12 ARG A 15 7.307 6.444 -12.198 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.419 2.925 -12.659 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.083 4.482 -13.166 1.00 0.00 H new ATOM 216 N VAL A 16 5.965 4.108 -5.344 1.00 0.00 N ATOM 217 CA VAL A 16 6.562 4.800 -4.215 1.00 0.00 C ATOM 218 C VAL A 16 5.626 5.919 -3.754 1.00 0.00 C ATOM 219 O VAL A 16 5.519 6.191 -2.559 1.00 0.00 O ATOM 220 CB VAL A 16 7.957 5.305 -4.590 1.00 0.00 C ATOM 221 CG1 VAL A 16 8.601 6.055 -3.423 1.00 0.00 C ATOM 222 CG2 VAL A 16 8.848 4.153 -5.060 1.00 0.00 C ATOM 0 H VAL A 16 6.565 4.035 -6.166 1.00 0.00 H new ATOM 0 HA VAL A 16 6.692 4.118 -3.375 1.00 0.00 H new ATOM 0 HB VAL A 16 7.849 6.005 -5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.591 6.403 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.981 6.910 -3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.690 5.387 -2.566 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.834 4.538 -5.321 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.945 3.419 -4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.401 3.680 -5.934 1.00 0.00 H new ATOM 232 N SER A 17 4.972 6.537 -4.726 1.00 0.00 N ATOM 233 CA SER A 17 4.048 7.620 -4.435 1.00 0.00 C ATOM 234 C SER A 17 2.864 7.094 -3.622 1.00 0.00 C ATOM 235 O SER A 17 2.381 7.769 -2.713 1.00 0.00 O ATOM 236 CB SER A 17 3.554 8.285 -5.722 1.00 0.00 C ATOM 237 OG SER A 17 3.944 9.653 -5.800 1.00 0.00 O ATOM 0 H SER A 17 5.063 6.309 -5.716 1.00 0.00 H new ATOM 0 HA SER A 17 4.577 8.372 -3.850 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.949 7.746 -6.583 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.467 8.214 -5.772 1.00 0.00 H new ATOM 0 HG SER A 17 3.611 10.041 -6.636 1.00 0.00 H new ATOM 242 N GLU A 18 2.429 5.894 -3.978 1.00 0.00 N ATOM 243 CA GLU A 18 1.311 5.269 -3.293 1.00 0.00 C ATOM 244 C GLU A 18 1.725 4.839 -1.884 1.00 0.00 C ATOM 245 O GLU A 18 0.965 5.011 -0.931 1.00 0.00 O ATOM 246 CB GLU A 18 0.772 4.080 -4.092 1.00 0.00 C ATOM 247 CG GLU A 18 -0.086 4.554 -5.267 1.00 0.00 C ATOM 248 CD GLU A 18 0.757 4.707 -6.535 1.00 0.00 C ATOM 249 OE1 GLU A 18 1.584 5.643 -6.558 1.00 0.00 O ATOM 250 OE2 GLU A 18 0.553 3.883 -7.454 1.00 0.00 O ATOM 0 H GLU A 18 2.831 5.338 -4.733 1.00 0.00 H new ATOM 0 HA GLU A 18 0.508 6.001 -3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.603 3.479 -4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.180 3.438 -3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.891 3.841 -5.445 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.553 5.507 -5.019 1.00 0.00 H new ATOM 255 N LEU A 19 2.927 4.289 -1.796 1.00 0.00 N ATOM 256 CA LEU A 19 3.450 3.833 -0.520 1.00 0.00 C ATOM 257 C LEU A 19 3.461 5.002 0.468 1.00 0.00 C ATOM 258 O LEU A 19 3.056 4.850 1.619 1.00 0.00 O ATOM 259 CB LEU A 19 4.818 3.173 -0.707 1.00 0.00 C ATOM 260 CG LEU A 19 4.801 1.715 -1.170 1.00 0.00 C ATOM 261 CD1 LEU A 19 3.837 0.882 -0.323 1.00 0.00 C ATOM 262 CD2 LEU A 19 4.484 1.617 -2.663 1.00 0.00 C ATOM 0 H LEU A 19 3.554 4.149 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 19 2.805 3.063 -0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.385 3.757 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.358 3.227 0.238 1.00 0.00 H new ATOM 0 HG LEU A 19 5.798 1.299 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.844 -0.150 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.150 0.913 0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.830 1.289 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.478 0.570 -2.966 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.505 2.056 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.242 2.155 -3.232 1.00 0.00 H new ATOM 273 N GLN A 20 3.930 6.142 -0.018 1.00 0.00 N ATOM 274 CA GLN A 20 3.999 7.335 0.808 1.00 0.00 C ATOM 275 C GLN A 20 2.603 7.723 1.298 1.00 0.00 C ATOM 276 O GLN A 20 2.438 8.149 2.441 1.00 0.00 O ATOM 277 CB GLN A 20 4.655 8.490 0.048 1.00 0.00 C ATOM 278 CG GLN A 20 6.115 8.173 -0.279 1.00 0.00 C ATOM 279 CD GLN A 20 7.013 9.381 -0.008 1.00 0.00 C ATOM 280 OE1 GLN A 20 6.566 10.441 0.396 1.00 0.00 O ATOM 281 NE2 GLN A 20 8.303 9.163 -0.252 1.00 0.00 N ATOM 0 H GLN A 20 4.266 6.265 -0.973 1.00 0.00 H new ATOM 0 HA GLN A 20 4.619 7.117 1.677 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.106 8.682 -0.874 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.602 9.400 0.646 1.00 0.00 H new ATOM 0 HG2 GLN A 20 6.449 7.325 0.319 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.201 7.879 -1.325 1.00 0.00 H new ATOM 0 HE21 GLN A 20 8.611 8.251 -0.589 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.983 9.908 -0.102 1.00 0.00 H new ATOM 288 N VAL A 21 1.633 7.562 0.409 1.00 0.00 N ATOM 289 CA VAL A 21 0.257 7.891 0.737 1.00 0.00 C ATOM 290 C VAL A 21 -0.268 6.896 1.774 1.00 0.00 C ATOM 291 O VAL A 21 -0.931 7.286 2.735 1.00 0.00 O ATOM 292 CB VAL A 21 -0.590 7.928 -0.537 1.00 0.00 C ATOM 293 CG1 VAL A 21 -1.568 6.752 -0.580 1.00 0.00 C ATOM 294 CG2 VAL A 21 -1.330 9.261 -0.665 1.00 0.00 C ATOM 0 H VAL A 21 1.773 7.208 -0.537 1.00 0.00 H new ATOM 0 HA VAL A 21 0.198 8.885 1.181 1.00 0.00 H new ATOM 0 HB VAL A 21 0.083 7.835 -1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.158 6.802 -1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.012 5.815 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.233 6.800 0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.924 9.261 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.986 9.397 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.607 10.076 -0.702 1.00 0.00 H new ATOM 304 N LEU A 22 0.049 5.630 1.545 1.00 0.00 N ATOM 305 CA LEU A 22 -0.381 4.576 2.449 1.00 0.00 C ATOM 306 C LEU A 22 0.175 4.850 3.847 1.00 0.00 C ATOM 307 O LEU A 22 -0.551 4.759 4.837 1.00 0.00 O ATOM 308 CB LEU A 22 0.001 3.204 1.892 1.00 0.00 C ATOM 309 CG LEU A 22 -1.105 2.146 1.893 1.00 0.00 C ATOM 310 CD1 LEU A 22 -1.941 2.227 0.614 1.00 0.00 C ATOM 311 CD2 LEU A 22 -0.525 0.747 2.111 1.00 0.00 C ATOM 0 H LEU A 22 0.598 5.310 0.747 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.468 4.568 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.350 3.335 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.843 2.821 2.469 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.774 2.351 2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.720 1.465 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.400 3.213 0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.299 2.061 -0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.332 0.014 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.179 0.516 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.008 0.713 3.070 1.00 0.00 H new ATOM 322 N LEU A 23 1.457 5.180 3.885 1.00 0.00 N ATOM 323 CA LEU A 23 2.119 5.467 5.146 1.00 0.00 C ATOM 324 C LEU A 23 1.640 6.822 5.672 1.00 0.00 C ATOM 325 O LEU A 23 1.240 6.937 6.829 1.00 0.00 O ATOM 326 CB LEU A 23 3.638 5.371 4.988 1.00 0.00 C ATOM 327 CG LEU A 23 4.188 3.992 4.618 1.00 0.00 C ATOM 328 CD1 LEU A 23 5.618 3.816 5.132 1.00 0.00 C ATOM 329 CD2 LEU A 23 3.260 2.880 5.112 1.00 0.00 C ATOM 0 H LEU A 23 2.055 5.255 3.062 1.00 0.00 H new ATOM 0 HA LEU A 23 1.852 4.721 5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.949 6.082 4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.101 5.686 5.923 1.00 0.00 H new ATOM 0 HG LEU A 23 4.226 3.920 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.985 2.828 4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.260 4.578 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.630 3.917 6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.675 1.911 4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.167 2.939 6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.277 2.997 4.656 1.00 0.00 H new ATOM 340 N GLY A 24 1.697 7.814 4.795 1.00 0.00 N ATOM 341 CA GLY A 24 1.274 9.157 5.156 1.00 0.00 C ATOM 342 C GLY A 24 -0.173 9.161 5.650 1.00 0.00 C ATOM 343 O GLY A 24 -0.484 9.775 6.669 1.00 0.00 O ATOM 0 H GLY A 24 2.029 7.715 3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.928 9.552 5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.369 9.816 4.293 1.00 0.00 H new ATOM 347 N TYR A 25 -1.022 8.468 4.904 1.00 0.00 N ATOM 348 CA TYR A 25 -2.430 8.385 5.253 1.00 0.00 C ATOM 349 C TYR A 25 -2.634 7.530 6.506 1.00 0.00 C ATOM 350 O TYR A 25 -3.714 7.532 7.093 1.00 0.00 O ATOM 351 CB TYR A 25 -3.119 7.704 4.068 1.00 0.00 C ATOM 352 CG TYR A 25 -4.635 7.574 4.221 1.00 0.00 C ATOM 353 CD1 TYR A 25 -5.400 8.690 4.492 1.00 0.00 C ATOM 354 CD2 TYR A 25 -5.239 6.339 4.088 1.00 0.00 C ATOM 355 CE1 TYR A 25 -6.828 8.567 4.636 1.00 0.00 C ATOM 356 CE2 TYR A 25 -6.666 6.217 4.233 1.00 0.00 C ATOM 357 CZ TYR A 25 -7.390 7.336 4.499 1.00 0.00 C ATOM 358 OH TYR A 25 -8.739 7.220 4.635 1.00 0.00 O ATOM 0 H TYR A 25 -0.761 7.959 4.059 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.834 9.376 5.458 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.903 8.269 3.161 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.691 6.710 3.934 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.928 9.656 4.596 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.641 5.465 3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -7.438 9.432 4.848 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.151 5.257 4.133 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.105 6.737 3.865 1.00 0.00 H new ATOM 367 N ALA A 26 -1.580 6.819 6.876 1.00 0.00 N ATOM 368 CA ALA A 26 -1.630 5.961 8.049 1.00 0.00 C ATOM 369 C ALA A 26 -0.829 6.607 9.182 1.00 0.00 C ATOM 370 O ALA A 26 -0.887 6.153 10.324 1.00 0.00 O ATOM 371 CB ALA A 26 -1.108 4.570 7.685 1.00 0.00 C ATOM 0 H ALA A 26 -0.686 6.819 6.385 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.656 5.844 8.397 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.145 3.926 8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.728 4.144 6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.079 4.648 7.335 1.00 0.00 H new ATOM 377 N GLY A 27 -0.102 7.655 8.827 1.00 0.00 N ATOM 378 CA GLY A 27 0.708 8.367 9.801 1.00 0.00 C ATOM 379 C GLY A 27 2.154 7.866 9.783 1.00 0.00 C ATOM 380 O GLY A 27 3.089 8.648 9.943 1.00 0.00 O ATOM 0 H GLY A 27 -0.056 8.029 7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.687 9.435 9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.286 8.234 10.797 1.00 0.00 H new ATOM 384 N ARG A 28 2.292 6.563 9.586 1.00 0.00 N ATOM 385 CA ARG A 28 3.607 5.947 9.546 1.00 0.00 C ATOM 386 C ARG A 28 4.572 6.811 8.733 1.00 0.00 C ATOM 387 O ARG A 28 4.147 7.586 7.878 1.00 0.00 O ATOM 388 CB ARG A 28 3.542 4.548 8.929 1.00 0.00 C ATOM 389 CG ARG A 28 2.978 3.535 9.927 1.00 0.00 C ATOM 390 CD ARG A 28 4.041 3.121 10.947 1.00 0.00 C ATOM 391 NE ARG A 28 3.728 1.780 11.488 1.00 0.00 N ATOM 392 CZ ARG A 28 4.418 1.187 12.472 1.00 0.00 C ATOM 393 NH1 ARG A 28 5.463 1.813 13.029 1.00 0.00 N ATOM 394 NH2 ARG A 28 4.063 -0.033 12.899 1.00 0.00 N ATOM 0 H ARG A 28 1.514 5.917 9.452 1.00 0.00 H new ATOM 0 HA ARG A 28 3.965 5.862 10.572 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.918 4.569 8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.539 4.238 8.615 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.121 3.967 10.444 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.618 2.655 9.394 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.024 3.112 10.477 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.082 3.849 11.757 1.00 0.00 H new ATOM 0 HE ARG A 28 2.938 1.275 11.087 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.734 2.741 12.704 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.988 1.361 13.778 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.268 -0.510 12.475 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.588 -0.484 13.648 1.00 0.00 H new ATOM 405 N ASN A 29 5.854 6.649 9.028 1.00 0.00 N ATOM 406 CA ASN A 29 6.883 7.405 8.335 1.00 0.00 C ATOM 407 C ASN A 29 7.170 6.748 6.983 1.00 0.00 C ATOM 408 O ASN A 29 7.109 5.526 6.858 1.00 0.00 O ATOM 409 CB ASN A 29 8.186 7.424 9.137 1.00 0.00 C ATOM 410 CG ASN A 29 9.324 8.038 8.319 1.00 0.00 C ATOM 411 OD1 ASN A 29 10.197 7.354 7.811 1.00 0.00 O ATOM 412 ND2 ASN A 29 9.267 9.364 8.220 1.00 0.00 N ATOM 0 H ASN A 29 6.203 6.005 9.738 1.00 0.00 H new ATOM 0 HA ASN A 29 6.523 8.426 8.207 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.044 7.995 10.055 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.451 6.408 9.431 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.982 9.867 7.694 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.509 9.877 8.670 1.00 0.00 H new ATOM 418 N LYS A 30 7.477 7.588 6.006 1.00 0.00 N ATOM 419 CA LYS A 30 7.773 7.103 4.669 1.00 0.00 C ATOM 420 C LYS A 30 9.187 7.536 4.276 1.00 0.00 C ATOM 421 O LYS A 30 10.042 7.735 5.139 1.00 0.00 O ATOM 422 CB LYS A 30 6.695 7.558 3.683 1.00 0.00 C ATOM 423 CG LYS A 30 6.785 9.064 3.427 1.00 0.00 C ATOM 424 CD LYS A 30 5.461 9.757 3.754 1.00 0.00 C ATOM 425 CE LYS A 30 5.391 11.141 3.106 1.00 0.00 C ATOM 426 NZ LYS A 30 4.131 11.294 2.346 1.00 0.00 N ATOM 0 H LYS A 30 7.527 8.601 6.113 1.00 0.00 H new ATOM 0 HA LYS A 30 7.754 6.013 4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.807 7.019 2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.709 7.311 4.077 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.583 9.492 4.034 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.046 9.244 2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.630 9.145 3.403 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.353 9.852 4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.456 11.912 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.243 11.281 2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.345 11.611 1.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.635 10.381 2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.526 11.998 2.815 1.00 0.00 H new ATOM 436 N HIS A 31 9.391 7.669 2.973 1.00 0.00 N ATOM 437 CA HIS A 31 10.686 8.075 2.455 1.00 0.00 C ATOM 438 C HIS A 31 11.645 6.883 2.482 1.00 0.00 C ATOM 439 O HIS A 31 11.857 6.275 3.530 1.00 0.00 O ATOM 440 CB HIS A 31 11.223 9.285 3.222 1.00 0.00 C ATOM 441 CG HIS A 31 11.542 10.474 2.349 1.00 0.00 C ATOM 442 ND1 HIS A 31 12.432 10.410 1.291 1.00 0.00 N ATOM 443 CD2 HIS A 31 11.079 11.756 2.384 1.00 0.00 C ATOM 444 CE1 HIS A 31 12.496 11.606 0.724 1.00 0.00 C ATOM 445 NE2 HIS A 31 11.656 12.439 1.403 1.00 0.00 N ATOM 0 H HIS A 31 8.680 7.503 2.261 1.00 0.00 H new ATOM 0 HA HIS A 31 10.584 8.392 1.417 1.00 0.00 H new ATOM 0 HB2 HIS A 31 10.488 9.583 3.970 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.124 8.990 3.760 1.00 0.00 H new ATOM 0 HD2 HIS A 31 10.363 12.149 3.091 1.00 0.00 H new ATOM 0 HE1 HIS A 31 13.106 11.874 -0.126 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.497 13.424 1.192 1.00 0.00 H new ATOM 452 N GLY A 32 12.199 6.584 1.317 1.00 0.00 N ATOM 453 CA GLY A 32 13.131 5.477 1.192 1.00 0.00 C ATOM 454 C GLY A 32 12.890 4.699 -0.104 1.00 0.00 C ATOM 455 O GLY A 32 12.215 5.188 -1.008 1.00 0.00 O ATOM 0 H GLY A 32 12.020 7.090 0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 32 14.153 5.854 1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.024 4.809 2.046 1.00 0.00 H new ATOM 459 N ARG A 33 13.455 3.502 -0.152 1.00 0.00 N ATOM 460 CA ARG A 33 13.310 2.652 -1.322 1.00 0.00 C ATOM 461 C ARG A 33 11.915 2.022 -1.351 1.00 0.00 C ATOM 462 O ARG A 33 11.199 2.046 -0.351 1.00 0.00 O ATOM 463 CB ARG A 33 14.364 1.543 -1.332 1.00 0.00 C ATOM 464 CG ARG A 33 15.454 1.832 -2.365 1.00 0.00 C ATOM 465 CD ARG A 33 15.207 1.050 -3.657 1.00 0.00 C ATOM 466 NE ARG A 33 15.692 1.827 -4.819 1.00 0.00 N ATOM 467 CZ ARG A 33 15.752 1.350 -6.070 1.00 0.00 C ATOM 468 NH1 ARG A 33 15.358 0.095 -6.327 1.00 0.00 N ATOM 469 NH2 ARG A 33 16.206 2.127 -7.063 1.00 0.00 N ATOM 0 H ARG A 33 14.014 3.100 0.600 1.00 0.00 H new ATOM 0 HA ARG A 33 13.449 3.276 -2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.811 1.452 -0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.890 0.588 -1.556 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.481 2.900 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.428 1.566 -1.955 1.00 0.00 H new ATOM 0 HD2 ARG A 33 15.718 0.088 -3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.143 0.841 -3.767 1.00 0.00 H new ATOM 0 HE ARG A 33 16.000 2.786 -4.658 1.00 0.00 H new ATOM 0 HH11 ARG A 33 15.013 -0.496 -5.571 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.403 -0.269 -7.279 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.506 3.082 -6.867 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.251 1.763 -8.015 1.00 0.00 H new ATOM 480 N LYS A 34 11.573 1.474 -2.507 1.00 0.00 N ATOM 481 CA LYS A 34 10.278 0.838 -2.680 1.00 0.00 C ATOM 482 C LYS A 34 10.217 -0.426 -1.822 1.00 0.00 C ATOM 483 O LYS A 34 9.220 -0.673 -1.144 1.00 0.00 O ATOM 484 CB LYS A 34 9.997 0.590 -4.163 1.00 0.00 C ATOM 485 CG LYS A 34 8.520 0.262 -4.393 1.00 0.00 C ATOM 486 CD LYS A 34 8.272 -0.164 -5.842 1.00 0.00 C ATOM 487 CE LYS A 34 7.045 0.546 -6.419 1.00 0.00 C ATOM 488 NZ LYS A 34 7.454 1.546 -7.431 1.00 0.00 N ATOM 0 H LYS A 34 12.170 1.457 -3.334 1.00 0.00 H new ATOM 0 HA LYS A 34 9.481 1.496 -2.335 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.272 1.472 -4.742 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.616 -0.232 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.212 -0.536 -3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.909 1.133 -4.157 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.148 0.066 -6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.127 -1.243 -5.888 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.374 -0.184 -6.871 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.491 1.036 -5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.079 2.480 -7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.492 1.590 -7.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.079 1.272 -8.361 1.00 0.00 H new ATOM 498 N HIS A 35 11.296 -1.194 -1.878 1.00 0.00 N ATOM 499 CA HIS A 35 11.377 -2.427 -1.114 1.00 0.00 C ATOM 500 C HIS A 35 11.184 -2.124 0.373 1.00 0.00 C ATOM 501 O HIS A 35 10.459 -2.835 1.067 1.00 0.00 O ATOM 502 CB HIS A 35 12.687 -3.161 -1.405 1.00 0.00 C ATOM 503 CG HIS A 35 12.573 -4.666 -1.355 1.00 0.00 C ATOM 504 ND1 HIS A 35 13.262 -5.498 -2.219 1.00 0.00 N ATOM 505 CD2 HIS A 35 11.845 -5.477 -0.536 1.00 0.00 C ATOM 506 CE1 HIS A 35 12.954 -6.753 -1.925 1.00 0.00 C ATOM 507 NE2 HIS A 35 12.075 -6.738 -0.881 1.00 0.00 N ATOM 0 H HIS A 35 12.121 -0.986 -2.441 1.00 0.00 H new ATOM 0 HA HIS A 35 10.576 -3.100 -1.418 1.00 0.00 H new ATOM 0 HB2 HIS A 35 13.045 -2.867 -2.392 1.00 0.00 H new ATOM 0 HB3 HIS A 35 13.439 -2.840 -0.684 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.192 -5.149 0.259 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.332 -7.633 -2.424 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.663 -7.560 -0.439 1.00 0.00 H new ATOM 514 N GLU A 36 11.846 -1.066 0.818 1.00 0.00 N ATOM 515 CA GLU A 36 11.758 -0.659 2.210 1.00 0.00 C ATOM 516 C GLU A 36 10.330 -0.221 2.545 1.00 0.00 C ATOM 517 O GLU A 36 9.792 -0.591 3.588 1.00 0.00 O ATOM 518 CB GLU A 36 12.760 0.453 2.522 1.00 0.00 C ATOM 519 CG GLU A 36 14.198 -0.038 2.342 1.00 0.00 C ATOM 520 CD GLU A 36 15.170 0.788 3.188 1.00 0.00 C ATOM 521 OE1 GLU A 36 14.765 1.170 4.306 1.00 0.00 O ATOM 522 OE2 GLU A 36 16.295 1.019 2.695 1.00 0.00 O ATOM 0 H GLU A 36 12.446 -0.478 0.239 1.00 0.00 H new ATOM 0 HA GLU A 36 12.011 -1.515 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.578 1.305 1.867 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.616 0.801 3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.266 -1.088 2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.479 0.027 1.291 1.00 0.00 H new ATOM 527 N LEU A 37 9.759 0.561 1.642 1.00 0.00 N ATOM 528 CA LEU A 37 8.405 1.055 1.828 1.00 0.00 C ATOM 529 C LEU A 37 7.423 -0.116 1.735 1.00 0.00 C ATOM 530 O LEU A 37 6.493 -0.215 2.534 1.00 0.00 O ATOM 531 CB LEU A 37 8.106 2.187 0.844 1.00 0.00 C ATOM 532 CG LEU A 37 8.696 3.554 1.196 1.00 0.00 C ATOM 533 CD1 LEU A 37 8.754 4.459 -0.036 1.00 0.00 C ATOM 534 CD2 LEU A 37 7.926 4.203 2.348 1.00 0.00 C ATOM 0 H LEU A 37 10.209 0.865 0.779 1.00 0.00 H new ATOM 0 HA LEU A 37 8.292 1.490 2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.477 1.895 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.024 2.291 0.758 1.00 0.00 H new ATOM 0 HG LEU A 37 9.721 3.407 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.177 5.424 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.378 3.995 -0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.748 4.603 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.366 5.173 2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.883 4.336 2.059 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.980 3.562 3.228 1.00 0.00 H new ATOM 545 N LEU A 38 7.665 -0.972 0.754 1.00 0.00 N ATOM 546 CA LEU A 38 6.814 -2.131 0.546 1.00 0.00 C ATOM 547 C LEU A 38 6.810 -2.989 1.813 1.00 0.00 C ATOM 548 O LEU A 38 5.765 -3.493 2.222 1.00 0.00 O ATOM 549 CB LEU A 38 7.242 -2.892 -0.710 1.00 0.00 C ATOM 550 CG LEU A 38 6.393 -2.655 -1.961 1.00 0.00 C ATOM 551 CD1 LEU A 38 5.019 -3.315 -1.823 1.00 0.00 C ATOM 552 CD2 LEU A 38 6.282 -1.161 -2.272 1.00 0.00 C ATOM 0 H LEU A 38 8.438 -0.886 0.094 1.00 0.00 H new ATOM 0 HA LEU A 38 5.785 -1.820 0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.273 -2.624 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.232 -3.959 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 38 6.893 -3.125 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.435 -3.132 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.144 -4.389 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.498 -2.895 -0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.674 -1.020 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.816 -0.648 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.277 -0.750 -2.442 1.00 0.00 H new ATOM 563 N THR A 39 7.991 -3.129 2.399 1.00 0.00 N ATOM 564 CA THR A 39 8.136 -3.916 3.611 1.00 0.00 C ATOM 565 C THR A 39 7.267 -3.339 4.730 1.00 0.00 C ATOM 566 O THR A 39 6.684 -4.085 5.516 1.00 0.00 O ATOM 567 CB THR A 39 9.624 -3.971 3.963 1.00 0.00 C ATOM 568 OG1 THR A 39 10.157 -4.945 3.071 1.00 0.00 O ATOM 569 CG2 THR A 39 9.874 -4.562 5.352 1.00 0.00 C ATOM 0 H THR A 39 8.856 -2.710 2.056 1.00 0.00 H new ATOM 0 HA THR A 39 7.784 -4.937 3.464 1.00 0.00 H new ATOM 0 HB THR A 39 10.046 -2.967 3.913 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.382 -4.519 2.218 1.00 0.00 H new ATOM 0 HG21 THR A 39 10.945 -4.579 5.553 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.373 -3.951 6.103 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.482 -5.578 5.391 1.00 0.00 H new ATOM 577 N LYS A 40 7.208 -2.016 4.767 1.00 0.00 N ATOM 578 CA LYS A 40 6.420 -1.330 5.777 1.00 0.00 C ATOM 579 C LYS A 40 4.933 -1.505 5.463 1.00 0.00 C ATOM 580 O LYS A 40 4.128 -1.735 6.365 1.00 0.00 O ATOM 581 CB LYS A 40 6.856 0.132 5.895 1.00 0.00 C ATOM 582 CG LYS A 40 8.200 0.247 6.616 1.00 0.00 C ATOM 583 CD LYS A 40 9.094 1.292 5.948 1.00 0.00 C ATOM 584 CE LYS A 40 9.121 2.590 6.757 1.00 0.00 C ATOM 585 NZ LYS A 40 10.237 3.456 6.313 1.00 0.00 N ATOM 0 H LYS A 40 7.693 -1.401 4.114 1.00 0.00 H new ATOM 0 HA LYS A 40 6.593 -1.770 6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.933 0.573 4.901 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.099 0.698 6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.035 0.518 7.659 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.702 -0.721 6.614 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.106 0.900 5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.731 1.495 4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.175 3.118 6.640 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.230 2.362 7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.240 4.332 6.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.139 2.956 6.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.117 3.689 5.306 1.00 0.00 H new ATOM 595 N ALA A 41 4.614 -1.390 4.182 1.00 0.00 N ATOM 596 CA ALA A 41 3.237 -1.532 3.739 1.00 0.00 C ATOM 597 C ALA A 41 2.744 -2.943 4.065 1.00 0.00 C ATOM 598 O ALA A 41 1.613 -3.121 4.513 1.00 0.00 O ATOM 599 CB ALA A 41 3.147 -1.214 2.245 1.00 0.00 C ATOM 0 H ALA A 41 5.285 -1.200 3.437 1.00 0.00 H new ATOM 0 HA ALA A 41 2.590 -0.828 4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.115 -1.320 1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.481 -0.191 2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.781 -1.903 1.687 1.00 0.00 H new ATOM 605 N LEU A 42 3.618 -3.911 3.827 1.00 0.00 N ATOM 606 CA LEU A 42 3.286 -5.300 4.090 1.00 0.00 C ATOM 607 C LEU A 42 3.091 -5.498 5.595 1.00 0.00 C ATOM 608 O LEU A 42 2.158 -6.178 6.020 1.00 0.00 O ATOM 609 CB LEU A 42 4.338 -6.228 3.479 1.00 0.00 C ATOM 610 CG LEU A 42 4.436 -6.218 1.952 1.00 0.00 C ATOM 611 CD1 LEU A 42 4.670 -7.629 1.409 1.00 0.00 C ATOM 612 CD2 LEU A 42 3.202 -5.561 1.328 1.00 0.00 C ATOM 0 H LEU A 42 4.556 -3.760 3.455 1.00 0.00 H new ATOM 0 HA LEU A 42 2.344 -5.563 3.609 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.312 -5.959 3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.127 -7.247 3.803 1.00 0.00 H new ATOM 0 HG LEU A 42 5.300 -5.616 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.736 -7.594 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.600 -8.026 1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.841 -8.274 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.297 -5.567 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.309 -6.115 1.617 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.120 -4.533 1.680 1.00 0.00 H new ATOM 623 N HIS A 43 3.987 -4.891 6.359 1.00 0.00 N ATOM 624 CA HIS A 43 3.925 -4.991 7.808 1.00 0.00 C ATOM 625 C HIS A 43 2.651 -4.315 8.316 1.00 0.00 C ATOM 626 O HIS A 43 2.103 -4.709 9.345 1.00 0.00 O ATOM 627 CB HIS A 43 5.194 -4.422 8.446 1.00 0.00 C ATOM 628 CG HIS A 43 6.299 -5.434 8.626 1.00 0.00 C ATOM 629 ND1 HIS A 43 7.632 -5.138 8.393 1.00 0.00 N ATOM 630 CD2 HIS A 43 6.257 -6.739 9.018 1.00 0.00 C ATOM 631 CE1 HIS A 43 8.350 -6.225 8.637 1.00 0.00 C ATOM 632 NE2 HIS A 43 7.496 -7.216 9.023 1.00 0.00 N ATOM 0 H HIS A 43 4.760 -4.328 6.003 1.00 0.00 H new ATOM 0 HA HIS A 43 3.879 -6.040 8.102 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.563 -3.603 7.828 1.00 0.00 H new ATOM 0 HB3 HIS A 43 4.941 -3.999 9.418 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.367 -7.291 9.280 1.00 0.00 H new ATOM 0 HE1 HIS A 43 9.423 -6.311 8.546 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.765 -8.167 9.274 1.00 0.00 H new ATOM 639 N LEU A 44 2.215 -3.309 7.571 1.00 0.00 N ATOM 640 CA LEU A 44 1.015 -2.575 7.933 1.00 0.00 C ATOM 641 C LEU A 44 -0.184 -3.524 7.912 1.00 0.00 C ATOM 642 O LEU A 44 -1.048 -3.457 8.785 1.00 0.00 O ATOM 643 CB LEU A 44 0.845 -1.349 7.032 1.00 0.00 C ATOM 644 CG LEU A 44 1.110 0.007 7.688 1.00 0.00 C ATOM 645 CD1 LEU A 44 0.629 1.151 6.795 1.00 0.00 C ATOM 646 CD2 LEU A 44 0.491 0.071 9.086 1.00 0.00 C ATOM 0 H LEU A 44 2.672 -2.985 6.718 1.00 0.00 H new ATOM 0 HA LEU A 44 1.097 -2.187 8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.515 -1.454 6.178 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.172 -1.348 6.641 1.00 0.00 H new ATOM 0 HG LEU A 44 2.187 0.123 7.808 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.829 2.104 7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.157 1.115 5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.442 1.051 6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.694 1.046 9.530 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.586 -0.077 9.014 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.924 -0.710 9.712 1.00 0.00 H new ATOM 657 N LEU A 45 -0.199 -4.387 6.907 1.00 0.00 N ATOM 658 CA LEU A 45 -1.278 -5.348 6.761 1.00 0.00 C ATOM 659 C LEU A 45 -1.253 -6.320 7.943 1.00 0.00 C ATOM 660 O LEU A 45 -2.300 -6.776 8.399 1.00 0.00 O ATOM 661 CB LEU A 45 -1.201 -6.038 5.397 1.00 0.00 C ATOM 662 CG LEU A 45 -1.626 -5.194 4.194 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.625 -5.332 3.046 1.00 0.00 C ATOM 664 CD2 LEU A 45 -3.051 -5.540 3.757 1.00 0.00 C ATOM 0 H LEU A 45 0.520 -4.440 6.185 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.243 -4.842 6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.175 -6.371 5.238 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.825 -6.931 5.428 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.627 -4.147 4.495 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.951 -4.722 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.358 -4.997 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.567 -6.376 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.328 -4.926 2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.101 -6.593 3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.740 -5.348 4.579 1.00 0.00 H new ATOM 675 N LYS A 46 -0.046 -6.607 8.406 1.00 0.00 N ATOM 676 CA LYS A 46 0.130 -7.515 9.527 1.00 0.00 C ATOM 677 C LYS A 46 -0.089 -6.753 10.835 1.00 0.00 C ATOM 678 O LYS A 46 -0.478 -7.342 11.842 1.00 0.00 O ATOM 679 CB LYS A 46 1.488 -8.214 9.443 1.00 0.00 C ATOM 680 CG LYS A 46 1.383 -9.528 8.666 1.00 0.00 C ATOM 681 CD LYS A 46 2.364 -9.552 7.492 1.00 0.00 C ATOM 682 CE LYS A 46 3.759 -9.984 7.953 1.00 0.00 C ATOM 683 NZ LYS A 46 4.786 -9.527 6.991 1.00 0.00 N ATOM 0 H LYS A 46 0.821 -6.227 8.025 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.615 -8.310 9.492 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.209 -7.557 8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.862 -8.411 10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.588 -10.366 9.332 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.365 -9.656 8.297 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.002 -10.236 6.725 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.417 -8.563 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.967 -9.571 8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.798 -11.069 8.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.726 -9.828 7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.595 -9.942 6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.759 -8.490 6.921 1.00 0.00 H new ATOM 693 N ALA A 47 0.169 -5.455 10.777 1.00 0.00 N ATOM 694 CA ALA A 47 0.004 -4.606 11.945 1.00 0.00 C ATOM 695 C ALA A 47 -1.473 -4.238 12.099 1.00 0.00 C ATOM 696 O ALA A 47 -1.857 -3.591 13.070 1.00 0.00 O ATOM 697 CB ALA A 47 0.901 -3.374 11.811 1.00 0.00 C ATOM 0 H ALA A 47 0.491 -4.970 9.939 1.00 0.00 H new ATOM 0 HA ALA A 47 0.308 -5.134 12.849 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.777 -2.737 12.687 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.942 -3.688 11.735 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.624 -2.818 10.916 1.00 0.00 H new ATOM 703 N GLY A 48 -2.261 -4.669 11.124 1.00 0.00 N ATOM 704 CA GLY A 48 -3.688 -4.393 11.139 1.00 0.00 C ATOM 705 C GLY A 48 -4.045 -3.295 10.135 1.00 0.00 C ATOM 706 O GLY A 48 -4.615 -3.574 9.081 1.00 0.00 O ATOM 0 H GLY A 48 -1.939 -5.207 10.319 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.240 -5.302 10.901 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.993 -4.088 12.140 1.00 0.00 H new ATOM 710 N CYS A 49 -3.694 -2.070 10.498 1.00 0.00 N ATOM 711 CA CYS A 49 -3.971 -0.929 9.642 1.00 0.00 C ATOM 712 C CYS A 49 -5.487 -0.795 9.494 1.00 0.00 C ATOM 713 O CYS A 49 -6.192 -1.793 9.357 1.00 0.00 O ATOM 714 CB CYS A 49 -3.274 -1.057 8.285 1.00 0.00 C ATOM 715 SG CYS A 49 -3.091 0.594 7.517 1.00 0.00 S ATOM 0 H CYS A 49 -3.221 -1.843 11.372 1.00 0.00 H new ATOM 0 HA CYS A 49 -3.571 -0.024 10.099 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.295 -1.519 8.412 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.852 -1.710 7.630 1.00 0.00 H new ATOM 0 HG CYS A 49 -2.072 1.207 8.043 1.00 0.00 H new ATOM 720 N SER A 50 -5.946 0.448 9.526 1.00 0.00 N ATOM 721 CA SER A 50 -7.366 0.725 9.398 1.00 0.00 C ATOM 722 C SER A 50 -7.883 0.200 8.057 1.00 0.00 C ATOM 723 O SER A 50 -7.096 -0.104 7.161 1.00 0.00 O ATOM 724 CB SER A 50 -7.649 2.224 9.526 1.00 0.00 C ATOM 725 OG SER A 50 -6.480 3.008 9.304 1.00 0.00 O ATOM 0 H SER A 50 -5.359 1.274 9.639 1.00 0.00 H new ATOM 0 HA SER A 50 -7.888 0.214 10.207 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.419 2.510 8.810 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.044 2.435 10.520 1.00 0.00 H new ATOM 0 HG SER A 50 -6.702 3.958 9.393 1.00 0.00 H new ATOM 730 N PRO A 51 -9.236 0.107 7.958 1.00 0.00 N ATOM 731 CA PRO A 51 -9.867 -0.376 6.742 1.00 0.00 C ATOM 732 C PRO A 51 -9.826 0.688 5.643 1.00 0.00 C ATOM 733 O PRO A 51 -10.002 0.378 4.466 1.00 0.00 O ATOM 734 CB PRO A 51 -11.280 -0.751 7.154 1.00 0.00 C ATOM 735 CG PRO A 51 -11.535 -0.034 8.469 1.00 0.00 C ATOM 736 CD PRO A 51 -10.198 0.457 8.999 1.00 0.00 C ATOM 0 HA PRO A 51 -9.351 -1.235 6.313 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.002 -0.446 6.396 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.379 -1.830 7.272 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.218 0.803 8.321 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.006 -0.707 9.186 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.214 1.532 9.178 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.948 -0.021 9.946 1.00 0.00 H new ATOM 741 N ALA A 52 -9.592 1.922 6.067 1.00 0.00 N ATOM 742 CA ALA A 52 -9.526 3.033 5.134 1.00 0.00 C ATOM 743 C ALA A 52 -8.324 2.845 4.207 1.00 0.00 C ATOM 744 O ALA A 52 -8.398 3.152 3.018 1.00 0.00 O ATOM 745 CB ALA A 52 -9.462 4.350 5.912 1.00 0.00 C ATOM 0 H ALA A 52 -9.446 2.176 7.044 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.420 3.065 4.512 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -9.412 5.184 5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.352 4.450 6.533 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.575 4.355 6.546 1.00 0.00 H new ATOM 751 N VAL A 53 -7.243 2.341 4.785 1.00 0.00 N ATOM 752 CA VAL A 53 -6.027 2.107 4.026 1.00 0.00 C ATOM 753 C VAL A 53 -6.243 0.928 3.075 1.00 0.00 C ATOM 754 O VAL A 53 -5.789 0.957 1.932 1.00 0.00 O ATOM 755 CB VAL A 53 -4.847 1.898 4.978 1.00 0.00 C ATOM 756 CG1 VAL A 53 -3.542 1.716 4.201 1.00 0.00 C ATOM 757 CG2 VAL A 53 -4.736 3.054 5.974 1.00 0.00 C ATOM 0 H VAL A 53 -7.185 2.088 5.771 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.785 2.977 3.416 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.030 0.985 5.544 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -2.719 1.569 4.901 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.624 0.845 3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.351 2.603 3.597 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.890 2.881 6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -4.587 3.988 5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.652 3.117 6.561 1.00 0.00 H new ATOM 767 N GLN A 54 -6.936 -0.081 3.581 1.00 0.00 N ATOM 768 CA GLN A 54 -7.218 -1.267 2.791 1.00 0.00 C ATOM 769 C GLN A 54 -8.013 -0.893 1.539 1.00 0.00 C ATOM 770 O GLN A 54 -7.793 -1.458 0.469 1.00 0.00 O ATOM 771 CB GLN A 54 -7.961 -2.315 3.622 1.00 0.00 C ATOM 772 CG GLN A 54 -7.078 -2.847 4.752 1.00 0.00 C ATOM 773 CD GLN A 54 -7.547 -4.229 5.211 1.00 0.00 C ATOM 774 OE1 GLN A 54 -8.361 -4.879 4.575 1.00 0.00 O ATOM 775 NE2 GLN A 54 -6.992 -4.639 6.347 1.00 0.00 N ATOM 0 H GLN A 54 -7.311 -0.102 4.529 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.271 -1.706 2.478 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.867 -1.877 4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.272 -3.139 2.980 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.043 -2.904 4.414 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.100 -2.154 5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -6.317 -4.045 6.829 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -7.241 -5.548 6.737 1.00 0.00 H new ATOM 782 N MET A 55 -8.922 0.055 1.715 1.00 0.00 N ATOM 783 CA MET A 55 -9.752 0.510 0.612 1.00 0.00 C ATOM 784 C MET A 55 -8.946 1.373 -0.360 1.00 0.00 C ATOM 785 O MET A 55 -9.153 1.309 -1.571 1.00 0.00 O ATOM 786 CB MET A 55 -10.929 1.319 1.159 1.00 0.00 C ATOM 787 CG MET A 55 -11.522 2.225 0.078 1.00 0.00 C ATOM 788 SD MET A 55 -13.305 2.159 0.136 1.00 0.00 S ATOM 789 CE MET A 55 -13.661 1.870 -1.589 1.00 0.00 C ATOM 0 H MET A 55 -9.102 0.520 2.605 1.00 0.00 H new ATOM 0 HA MET A 55 -10.120 -0.363 0.073 1.00 0.00 H new ATOM 0 HB2 MET A 55 -11.697 0.642 1.533 1.00 0.00 H new ATOM 0 HB3 MET A 55 -10.598 1.923 2.004 1.00 0.00 H new ATOM 0 HG2 MET A 55 -11.183 3.250 0.225 1.00 0.00 H new ATOM 0 HG3 MET A 55 -11.170 1.911 -0.905 1.00 0.00 H new ATOM 0 HE1 MET A 55 -14.511 1.194 -1.677 1.00 0.00 H new ATOM 0 HE2 MET A 55 -13.899 2.816 -2.075 1.00 0.00 H new ATOM 0 HE3 MET A 55 -12.791 1.423 -2.070 1.00 0.00 H new ATOM 797 N LYS A 56 -8.044 2.160 0.207 1.00 0.00 N ATOM 798 CA LYS A 56 -7.206 3.036 -0.595 1.00 0.00 C ATOM 799 C LYS A 56 -6.355 2.191 -1.545 1.00 0.00 C ATOM 800 O LYS A 56 -5.967 2.655 -2.616 1.00 0.00 O ATOM 801 CB LYS A 56 -6.387 3.965 0.303 1.00 0.00 C ATOM 802 CG LYS A 56 -6.744 5.430 0.048 1.00 0.00 C ATOM 803 CD LYS A 56 -6.270 5.877 -1.336 1.00 0.00 C ATOM 804 CE LYS A 56 -5.002 6.727 -1.234 1.00 0.00 C ATOM 805 NZ LYS A 56 -5.348 8.156 -1.057 1.00 0.00 N ATOM 0 H LYS A 56 -7.875 2.210 1.212 1.00 0.00 H new ATOM 0 HA LYS A 56 -7.821 3.690 -1.213 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.570 3.719 1.349 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.324 3.809 0.120 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -7.823 5.564 0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.287 6.058 0.813 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.077 5.003 -1.958 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.057 6.450 -1.826 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.396 6.387 -0.394 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.400 6.601 -2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.476 8.719 -0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.908 8.481 -1.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.904 8.273 -0.186 1.00 0.00 H new ATOM 815 N ILE A 57 -6.089 0.965 -1.118 1.00 0.00 N ATOM 816 CA ILE A 57 -5.292 0.051 -1.917 1.00 0.00 C ATOM 817 C ILE A 57 -5.993 -0.197 -3.254 1.00 0.00 C ATOM 818 O ILE A 57 -5.350 -0.211 -4.303 1.00 0.00 O ATOM 819 CB ILE A 57 -4.994 -1.228 -1.132 1.00 0.00 C ATOM 820 CG1 ILE A 57 -4.114 -0.933 0.084 1.00 0.00 C ATOM 821 CG2 ILE A 57 -4.382 -2.298 -2.038 1.00 0.00 C ATOM 822 CD1 ILE A 57 -4.249 -2.034 1.138 1.00 0.00 C ATOM 0 H ILE A 57 -6.412 0.584 -0.229 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.321 0.492 -2.143 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.937 -1.626 -0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.073 -0.849 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.396 0.027 0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.180 -3.196 -1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.079 -2.536 -2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.451 -1.925 -2.464 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -3.613 -1.800 1.992 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.287 -2.099 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.943 -2.988 0.709 1.00 0.00 H new ATOM 833 N LYS A 58 -7.301 -0.386 -3.173 1.00 0.00 N ATOM 834 CA LYS A 58 -8.097 -0.632 -4.364 1.00 0.00 C ATOM 835 C LYS A 58 -8.171 0.650 -5.196 1.00 0.00 C ATOM 836 O LYS A 58 -8.037 0.608 -6.418 1.00 0.00 O ATOM 837 CB LYS A 58 -9.466 -1.200 -3.985 1.00 0.00 C ATOM 838 CG LYS A 58 -9.320 -2.482 -3.163 1.00 0.00 C ATOM 839 CD LYS A 58 -10.501 -2.660 -2.208 1.00 0.00 C ATOM 840 CE LYS A 58 -11.747 -3.132 -2.959 1.00 0.00 C ATOM 841 NZ LYS A 58 -12.851 -3.408 -2.011 1.00 0.00 N ATOM 0 H LYS A 58 -7.830 -0.374 -2.301 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.625 -1.391 -4.988 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.025 -0.459 -3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.041 -1.406 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.256 -3.341 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.390 -2.450 -2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.242 -3.383 -1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.711 -1.717 -1.704 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.057 -2.371 -3.676 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -11.516 -4.032 -3.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.689 -3.727 -2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.558 -4.150 -1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.082 -2.541 -1.485 1.00 0.00 H new ATOM 851 N GLU A 59 -8.386 1.757 -4.501 1.00 0.00 N ATOM 852 CA GLU A 59 -8.480 3.048 -5.161 1.00 0.00 C ATOM 853 C GLU A 59 -7.148 3.402 -5.827 1.00 0.00 C ATOM 854 O GLU A 59 -7.121 3.821 -6.983 1.00 0.00 O ATOM 855 CB GLU A 59 -8.907 4.138 -4.175 1.00 0.00 C ATOM 856 CG GLU A 59 -9.981 3.619 -3.216 1.00 0.00 C ATOM 857 CD GLU A 59 -11.132 4.621 -3.089 1.00 0.00 C ATOM 858 OE1 GLU A 59 -10.845 5.763 -2.670 1.00 0.00 O ATOM 859 OE2 GLU A 59 -12.270 4.220 -3.414 1.00 0.00 O ATOM 0 H GLU A 59 -8.498 1.787 -3.488 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.245 2.984 -5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.041 4.479 -3.607 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.289 5.000 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.364 2.664 -3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.541 3.438 -2.235 1.00 0.00 H new ATOM 864 N LEU A 60 -6.078 3.221 -5.069 1.00 0.00 N ATOM 865 CA LEU A 60 -4.747 3.516 -5.571 1.00 0.00 C ATOM 866 C LEU A 60 -4.432 2.588 -6.746 1.00 0.00 C ATOM 867 O LEU A 60 -3.952 3.038 -7.785 1.00 0.00 O ATOM 868 CB LEU A 60 -3.719 3.445 -4.440 1.00 0.00 C ATOM 869 CG LEU A 60 -3.634 4.674 -3.533 1.00 0.00 C ATOM 870 CD1 LEU A 60 -3.052 4.309 -2.166 1.00 0.00 C ATOM 871 CD2 LEU A 60 -2.845 5.799 -4.209 1.00 0.00 C ATOM 0 H LEU A 60 -6.105 2.874 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.701 4.537 -5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.948 2.577 -3.822 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.736 3.273 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.645 5.044 -3.364 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.003 5.201 -1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.688 3.565 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.050 3.900 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.799 6.661 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.834 5.454 -4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.340 6.083 -5.138 1.00 0.00 H new ATOM 882 N TYR A 61 -4.715 1.310 -6.542 1.00 0.00 N ATOM 883 CA TYR A 61 -4.469 0.315 -7.571 1.00 0.00 C ATOM 884 C TYR A 61 -5.407 0.516 -8.764 1.00 0.00 C ATOM 885 O TYR A 61 -5.058 0.183 -9.896 1.00 0.00 O ATOM 886 CB TYR A 61 -4.766 -1.041 -6.928 1.00 0.00 C ATOM 887 CG TYR A 61 -4.778 -2.209 -7.915 1.00 0.00 C ATOM 888 CD1 TYR A 61 -5.943 -2.542 -8.576 1.00 0.00 C ATOM 889 CD2 TYR A 61 -3.625 -2.931 -8.146 1.00 0.00 C ATOM 890 CE1 TYR A 61 -5.955 -3.642 -9.506 1.00 0.00 C ATOM 891 CE2 TYR A 61 -3.636 -4.031 -9.075 1.00 0.00 C ATOM 892 CZ TYR A 61 -4.801 -4.331 -9.710 1.00 0.00 C ATOM 893 OH TYR A 61 -4.812 -5.370 -10.587 1.00 0.00 O ATOM 0 H TYR A 61 -5.113 0.941 -5.678 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.445 0.388 -7.938 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.020 -1.237 -6.158 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.734 -0.991 -6.429 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -6.846 -1.978 -8.396 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -2.713 -2.671 -7.629 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.860 -3.913 -10.029 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.740 -4.604 -9.263 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.918 -5.769 -10.633 1.00 0.00 H new ATOM 902 N ARG A 62 -6.579 1.060 -8.470 1.00 0.00 N ATOM 903 CA ARG A 62 -7.570 1.309 -9.503 1.00 0.00 C ATOM 904 C ARG A 62 -7.162 2.518 -10.348 1.00 0.00 C ATOM 905 O ARG A 62 -7.622 2.673 -11.477 1.00 0.00 O ATOM 906 CB ARG A 62 -8.949 1.562 -8.893 1.00 0.00 C ATOM 907 CG ARG A 62 -9.714 0.251 -8.703 1.00 0.00 C ATOM 908 CD ARG A 62 -11.130 0.354 -9.272 1.00 0.00 C ATOM 909 NE ARG A 62 -11.073 0.592 -10.732 1.00 0.00 N ATOM 910 CZ ARG A 62 -12.141 0.560 -11.540 1.00 0.00 C ATOM 911 NH1 ARG A 62 -13.355 0.301 -11.037 1.00 0.00 N ATOM 912 NH2 ARG A 62 -11.994 0.786 -12.854 1.00 0.00 N ATOM 0 H ARG A 62 -6.865 1.335 -7.530 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.623 0.422 -10.134 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.839 2.065 -7.932 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.519 2.230 -9.539 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -9.179 -0.561 -9.195 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.762 0.004 -7.642 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -11.681 -0.564 -9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -11.669 1.166 -8.784 1.00 0.00 H new ATOM 0 HE ARG A 62 -10.164 0.793 -11.149 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -13.467 0.128 -10.038 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -14.168 0.277 -11.653 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.069 0.982 -13.237 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.807 0.762 -13.470 1.00 0.00 H new ATOM 923 N ARG A 63 -6.305 3.344 -9.766 1.00 0.00 N ATOM 924 CA ARG A 63 -5.831 4.535 -10.451 1.00 0.00 C ATOM 925 C ARG A 63 -4.703 4.176 -11.420 1.00 0.00 C ATOM 926 O ARG A 63 -4.493 4.865 -12.417 1.00 0.00 O ATOM 927 CB ARG A 63 -5.325 5.579 -9.454 1.00 0.00 C ATOM 928 CG ARG A 63 -6.490 6.334 -8.811 1.00 0.00 C ATOM 929 CD ARG A 63 -5.983 7.480 -7.934 1.00 0.00 C ATOM 930 NE ARG A 63 -7.104 8.058 -7.160 1.00 0.00 N ATOM 931 CZ ARG A 63 -7.970 8.956 -7.648 1.00 0.00 C ATOM 932 NH1 ARG A 63 -7.850 9.382 -8.913 1.00 0.00 N ATOM 933 NH2 ARG A 63 -8.957 9.426 -6.873 1.00 0.00 N ATOM 0 H ARG A 63 -5.927 3.212 -8.828 1.00 0.00 H new ATOM 0 HA ARG A 63 -6.670 4.955 -11.005 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.732 5.091 -8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.667 6.284 -9.963 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.145 6.728 -9.588 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.086 5.647 -8.210 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.211 7.116 -7.256 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.524 8.249 -8.555 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.225 7.753 -6.194 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -7.100 9.022 -9.503 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -8.509 10.066 -9.286 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.049 9.100 -5.911 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.616 10.110 -7.245 1.00 0.00 H new ATOM 944 N ARG A 64 -4.005 3.097 -11.093 1.00 0.00 N ATOM 945 CA ARG A 64 -2.903 2.639 -11.922 1.00 0.00 C ATOM 946 C ARG A 64 -3.436 1.988 -13.199 1.00 0.00 C ATOM 947 O ARG A 64 -2.673 1.709 -14.123 1.00 0.00 O ATOM 948 CB ARG A 64 -2.030 1.632 -11.170 1.00 0.00 C ATOM 949 CG ARG A 64 -1.093 2.343 -10.192 1.00 0.00 C ATOM 950 CD ARG A 64 0.312 1.739 -10.241 1.00 0.00 C ATOM 951 NE ARG A 64 1.095 2.370 -11.327 1.00 0.00 N ATOM 952 CZ ARG A 64 1.724 3.548 -11.214 1.00 0.00 C ATOM 953 NH1 ARG A 64 1.664 4.231 -10.063 1.00 0.00 N ATOM 954 NH2 ARG A 64 2.412 4.042 -12.252 1.00 0.00 N ATOM 0 H ARG A 64 -4.182 2.527 -10.266 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.297 3.508 -12.178 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -2.663 0.930 -10.628 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.445 1.049 -11.882 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -1.045 3.404 -10.435 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.491 2.266 -9.180 1.00 0.00 H new ATOM 0 HD2 ARG A 64 0.814 1.888 -9.285 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.249 0.663 -10.404 1.00 0.00 H new ATOM 0 HE ARG A 64 1.160 1.877 -12.218 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.140 3.854 -9.273 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.143 5.128 -9.976 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.457 3.522 -13.128 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.891 4.939 -12.166 1.00 0.00 H new ATOM 965 N PHE A 65 -4.742 1.765 -13.212 1.00 0.00 N ATOM 966 CA PHE A 65 -5.385 1.151 -14.361 1.00 0.00 C ATOM 967 C PHE A 65 -6.882 1.468 -14.385 1.00 0.00 C ATOM 968 O PHE A 65 -7.582 1.102 -15.328 1.00 0.00 O ATOM 969 CB PHE A 65 -5.199 -0.361 -14.223 1.00 0.00 C ATOM 970 CG PHE A 65 -6.423 -1.091 -13.669 1.00 0.00 C ATOM 971 CD1 PHE A 65 -7.019 -0.652 -12.528 1.00 0.00 C ATOM 972 CD2 PHE A 65 -6.917 -2.181 -14.316 1.00 0.00 C ATOM 973 CE1 PHE A 65 -8.155 -1.329 -12.012 1.00 0.00 C ATOM 974 CE2 PHE A 65 -8.054 -2.859 -13.801 1.00 0.00 C ATOM 975 CZ PHE A 65 -8.649 -2.418 -12.660 1.00 0.00 C ATOM 0 H PHE A 65 -5.372 1.999 -12.445 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.944 1.533 -15.282 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.952 -0.777 -15.200 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.348 -0.554 -13.570 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.627 0.213 -12.014 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.444 -2.531 -15.222 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.627 -0.980 -11.105 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.446 -3.724 -14.315 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.514 -2.933 -12.269 1.00 0.00 H new TER 984 PHE A 65