USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 200 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 112 THR OG1 : rot -58:sc= 1.41 USER MOD Set 1.2: A 115 THR OG1 : rot -170:sc= 1.2 USER MOD Set 2.1: A 59 ASN : amide:sc= -0.0986 K(o=0.091,f=-1.9) USER MOD Set 2.2: A 109 LYS NZ :NH3+ 161:sc= 0.19 (180deg=-0.333) USER MOD Set 3.1: A 56 SER OG : rot -177:sc= -2.14 USER MOD Set 3.2: A 60 MET CE :methyl -169:sc= -0.93 (180deg=-1.35) USER MOD Set 3.3: A 85 MET CE :methyl 151:sc= -1.88 (180deg=-3.19!) USER MOD Set 4.1: A 44 ASN : amide:sc= -0.726 X(o=-1.1,f=-0.92) USER MOD Set 4.2: A 47 GLN : amide:sc= -0.382 K(o=-1.1,f=-4.6!) USER MOD Set 5.1: A 15 SER OG : rot 180:sc=0.000487 USER MOD Set 5.2: A 16 THR OG1 : rot 85:sc= 1.01 USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.126) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -107:sc= -1.23 (180deg=-2.21) USER MOD Single : A 23 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.0002) USER MOD Single : A 26 LYS NZ :NH3+ -170:sc=-0.00699 (180deg=-0.134) USER MOD Single : A 31 ASN : amide:sc= 0.29 X(o=0.29,f=0) USER MOD Single : A 32 ASN : amide:sc= 0.395 K(o=0.39,f=-0.2) USER MOD Single : A 45 LYS NZ :NH3+ -162:sc= -0.016 (180deg=-0.233) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0262 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl -177:sc= 0 (180deg=-0.00843) USER MOD Single : A 70 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0715) USER MOD Single : A 71 THR OG1 : rot 15:sc= 0.554 USER MOD Single : A 78 MET CE :methyl 135:sc= -0.359 (180deg=-1.92) USER MOD Single : A 79 SER OG : rot -118:sc= 1.28 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0243) USER MOD Single : A 94 ASN : amide:sc= 1.04 K(o=1,f=-7.6!) USER MOD Single : A 100 GLN : amide:sc= -1.69! C(o=-1.7!,f=-3.2!) USER MOD Single : A 104 SER OG : rot -120:sc= 0.775 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -165:sc= -0.0796 (180deg=-0.363) USER MOD Single : A 121 ASN : amide:sc= 0.118 X(o=0.12,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 170:sc= 0.109 (180deg=0.00468) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -13.290 -0.743 -7.882 1.00 0.00 N ATOM 38 CA LYS A 4 -13.986 -1.135 -6.642 1.00 0.00 C ATOM 39 C LYS A 4 -13.804 -2.574 -6.134 1.00 0.00 C ATOM 40 O LYS A 4 -13.409 -2.771 -4.990 1.00 0.00 O ATOM 41 CB LYS A 4 -15.461 -0.712 -6.618 1.00 0.00 C ATOM 42 CG LYS A 4 -15.566 0.809 -6.526 1.00 0.00 C ATOM 43 CD LYS A 4 -17.023 1.281 -6.556 1.00 0.00 C ATOM 44 CE LYS A 4 -17.109 2.802 -6.405 1.00 0.00 C ATOM 45 NZ LYS A 4 -16.546 3.480 -7.580 1.00 0.00 N ATOM 0 HA LYS A 4 -13.435 -0.548 -5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.964 -1.066 -7.518 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -15.966 -1.172 -5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -15.092 1.151 -5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -15.020 1.262 -7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.488 0.978 -7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -17.582 0.800 -5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.149 3.100 -6.273 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -16.572 3.113 -5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -16.766 4.495 -7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.514 3.350 -7.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.958 3.076 -8.445 1.00 0.00 H new ATOM 50 N GLU A 5 -13.740 -3.503 -7.075 1.00 0.00 N ATOM 51 CA GLU A 5 -13.589 -4.950 -6.809 1.00 0.00 C ATOM 52 C GLU A 5 -12.101 -5.374 -6.755 1.00 0.00 C ATOM 53 O GLU A 5 -11.678 -6.400 -7.283 1.00 0.00 O ATOM 54 CB GLU A 5 -14.383 -5.684 -7.905 1.00 0.00 C ATOM 55 CG GLU A 5 -14.667 -7.168 -7.614 1.00 0.00 C ATOM 56 CD GLU A 5 -15.596 -7.384 -6.414 1.00 0.00 C ATOM 57 OE1 GLU A 5 -16.782 -7.020 -6.533 1.00 0.00 O ATOM 58 OE2 GLU A 5 -15.113 -8.002 -5.435 1.00 0.00 O ATOM 0 H GLU A 5 -13.791 -3.282 -8.069 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.983 -5.211 -5.827 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.332 -5.169 -8.052 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.832 -5.611 -8.843 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.113 -7.625 -8.497 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -13.723 -7.682 -7.431 1.00 0.00 H new ATOM 60 N LEU A 6 -11.347 -4.643 -5.946 1.00 0.00 N ATOM 61 CA LEU A 6 -9.893 -4.860 -5.791 1.00 0.00 C ATOM 62 C LEU A 6 -9.538 -5.370 -4.391 1.00 0.00 C ATOM 63 O LEU A 6 -9.939 -4.794 -3.387 1.00 0.00 O ATOM 64 CB LEU A 6 -9.211 -3.507 -6.039 1.00 0.00 C ATOM 65 CG LEU A 6 -7.796 -3.597 -6.634 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.324 -2.171 -6.912 1.00 0.00 C ATOM 67 CD2 LEU A 6 -6.764 -4.246 -5.712 1.00 0.00 C ATOM 0 H LEU A 6 -11.713 -3.882 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.557 -5.619 -6.498 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -9.836 -2.919 -6.711 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.159 -2.964 -5.095 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.866 -4.222 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.320 -2.196 -7.336 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.004 -1.694 -7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.310 -1.604 -5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.795 -4.269 -6.210 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.685 -3.669 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.075 -5.264 -5.477 1.00 0.00 H new ATOM 69 N LYS A 7 -8.739 -6.441 -4.380 1.00 0.00 N ATOM 70 CA LYS A 7 -8.248 -7.058 -3.135 1.00 0.00 C ATOM 71 C LYS A 7 -6.957 -6.369 -2.652 1.00 0.00 C ATOM 72 O LYS A 7 -5.921 -6.375 -3.320 1.00 0.00 O ATOM 73 CB LYS A 7 -8.057 -8.568 -3.304 1.00 0.00 C ATOM 74 CG LYS A 7 -8.289 -9.261 -1.961 1.00 0.00 C ATOM 75 CD LYS A 7 -7.841 -10.730 -1.959 1.00 0.00 C ATOM 76 CE LYS A 7 -8.826 -11.673 -2.650 1.00 0.00 C ATOM 77 NZ LYS A 7 -9.951 -11.952 -1.749 1.00 0.00 N ATOM 0 H LYS A 7 -8.413 -6.906 -5.227 1.00 0.00 H new ATOM 0 HA LYS A 7 -9.004 -6.913 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.753 -8.953 -4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.051 -8.780 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -7.750 -8.721 -1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.348 -9.210 -1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.872 -10.806 -2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.701 -11.057 -0.929 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.189 -11.223 -3.574 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.326 -12.602 -2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.621 -12.594 -2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.597 -12.398 -0.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.433 -11.062 -1.510 1.00 0.00 H new ATOM 82 N PHE A 8 -7.113 -5.667 -1.527 1.00 0.00 N ATOM 83 CA PHE A 8 -6.074 -4.870 -0.852 1.00 0.00 C ATOM 84 C PHE A 8 -5.509 -5.484 0.427 1.00 0.00 C ATOM 85 O PHE A 8 -6.227 -6.041 1.257 1.00 0.00 O ATOM 86 CB PHE A 8 -6.647 -3.536 -0.368 1.00 0.00 C ATOM 87 CG PHE A 8 -6.914 -2.508 -1.454 1.00 0.00 C ATOM 88 CD1 PHE A 8 -8.118 -2.579 -2.185 1.00 0.00 C ATOM 89 CD2 PHE A 8 -6.002 -1.450 -1.631 1.00 0.00 C ATOM 90 CE1 PHE A 8 -8.413 -1.565 -3.113 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.304 -0.423 -2.550 1.00 0.00 C ATOM 92 CZ PHE A 8 -7.506 -0.502 -3.302 1.00 0.00 C ATOM 0 H PHE A 8 -8.006 -5.634 -1.036 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.298 -4.792 -1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.580 -3.731 0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.955 -3.104 0.355 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.803 -3.400 -2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.080 -1.425 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.332 -1.600 -3.680 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.631 0.411 -2.680 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.729 0.264 -4.030 1.00 0.00 H new ATOM 94 N LEU A 9 -4.218 -5.218 0.591 1.00 0.00 N ATOM 95 CA LEU A 9 -3.488 -5.602 1.806 1.00 0.00 C ATOM 96 C LEU A 9 -2.885 -4.359 2.472 1.00 0.00 C ATOM 97 O LEU A 9 -1.965 -3.715 1.968 1.00 0.00 O ATOM 98 CB LEU A 9 -2.464 -6.705 1.497 1.00 0.00 C ATOM 99 CG LEU A 9 -1.995 -7.492 2.742 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.883 -6.738 3.447 1.00 0.00 C ATOM 101 CD2 LEU A 9 -3.102 -7.919 3.709 1.00 0.00 C ATOM 0 H LEU A 9 -3.648 -4.735 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.176 -6.035 2.532 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.901 -7.402 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.596 -6.256 1.015 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.612 -8.440 2.363 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.560 -7.301 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.041 -6.611 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.248 -5.760 3.759 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.664 -8.463 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.620 -7.035 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.811 -8.563 3.189 1.00 0.00 H new ATOM 103 N VAL A 10 -3.547 -3.985 3.565 1.00 0.00 N ATOM 104 CA VAL A 10 -3.174 -2.835 4.413 1.00 0.00 C ATOM 105 C VAL A 10 -2.070 -3.304 5.383 1.00 0.00 C ATOM 106 O VAL A 10 -2.295 -4.146 6.242 1.00 0.00 O ATOM 107 CB VAL A 10 -4.421 -2.302 5.141 1.00 0.00 C ATOM 108 CG1 VAL A 10 -4.112 -1.322 6.270 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.355 -1.622 4.138 1.00 0.00 C ATOM 0 H VAL A 10 -4.375 -4.477 3.900 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.784 -2.008 3.820 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.893 -3.172 5.598 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -5.043 -0.994 6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.490 -1.813 7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.582 -0.459 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.236 -1.246 4.658 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.834 -0.792 3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.661 -2.343 3.380 1.00 0.00 H new ATOM 111 N VAL A 11 -0.877 -2.758 5.180 1.00 0.00 N ATOM 112 CA VAL A 11 0.292 -3.090 6.014 1.00 0.00 C ATOM 113 C VAL A 11 0.667 -1.858 6.848 1.00 0.00 C ATOM 114 O VAL A 11 1.372 -0.970 6.369 1.00 0.00 O ATOM 115 CB VAL A 11 1.547 -3.540 5.253 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.219 -4.612 6.097 1.00 0.00 C ATOM 117 CG2 VAL A 11 1.313 -4.055 3.828 1.00 0.00 C ATOM 0 H VAL A 11 -0.684 -2.079 4.444 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.020 -3.944 6.616 1.00 0.00 H new ATOM 0 HB VAL A 11 2.171 -2.658 5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.119 -4.962 5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.487 -4.196 7.068 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.533 -5.448 6.237 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.266 -4.345 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.649 -4.919 3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.858 -3.268 3.227 1.00 0.00 H new ATOM 119 N ASP A 12 0.173 -1.835 8.082 1.00 0.00 N ATOM 120 CA ASP A 12 0.431 -0.713 8.996 1.00 0.00 C ATOM 121 C ASP A 12 0.728 -1.181 10.433 1.00 0.00 C ATOM 122 O ASP A 12 -0.120 -1.791 11.079 1.00 0.00 O ATOM 123 CB ASP A 12 -0.747 0.271 8.919 1.00 0.00 C ATOM 124 CG ASP A 12 -0.404 1.630 9.521 1.00 0.00 C ATOM 125 OD1 ASP A 12 -0.471 1.732 10.762 1.00 0.00 O ATOM 126 OD2 ASP A 12 0.038 2.500 8.735 1.00 0.00 O ATOM 0 H ASP A 12 -0.407 -2.575 8.477 1.00 0.00 H new ATOM 0 HA ASP A 12 1.337 -0.197 8.680 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -1.042 0.401 7.878 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.605 -0.150 9.443 1.00 0.00 H new ATOM 128 N ASP A 13 1.817 -0.645 10.965 1.00 0.00 N ATOM 129 CA ASP A 13 2.303 -1.001 12.314 1.00 0.00 C ATOM 130 C ASP A 13 1.481 -0.476 13.516 1.00 0.00 C ATOM 131 O ASP A 13 1.702 -0.893 14.648 1.00 0.00 O ATOM 132 CB ASP A 13 3.779 -0.616 12.463 1.00 0.00 C ATOM 133 CG ASP A 13 4.113 0.864 12.662 1.00 0.00 C ATOM 134 OD1 ASP A 13 3.245 1.722 12.401 1.00 0.00 O ATOM 135 OD2 ASP A 13 5.254 1.124 13.104 1.00 0.00 O ATOM 0 H ASP A 13 2.394 0.046 10.486 1.00 0.00 H new ATOM 0 HA ASP A 13 2.169 -2.082 12.365 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.185 -1.168 13.310 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.307 -0.962 11.574 1.00 0.00 H new ATOM 137 N PHE A 14 0.623 0.512 13.258 1.00 0.00 N ATOM 138 CA PHE A 14 -0.210 1.127 14.295 1.00 0.00 C ATOM 139 C PHE A 14 -1.621 0.533 14.181 1.00 0.00 C ATOM 140 O PHE A 14 -2.325 0.782 13.195 1.00 0.00 O ATOM 141 CB PHE A 14 -0.255 2.638 14.068 1.00 0.00 C ATOM 142 CG PHE A 14 -0.459 3.426 15.364 1.00 0.00 C ATOM 143 CD1 PHE A 14 0.655 3.686 16.197 1.00 0.00 C ATOM 144 CD2 PHE A 14 -1.736 3.948 15.671 1.00 0.00 C ATOM 145 CE1 PHE A 14 0.497 4.484 17.351 1.00 0.00 C ATOM 146 CE2 PHE A 14 -1.894 4.747 16.824 1.00 0.00 C ATOM 147 CZ PHE A 14 -0.788 5.011 17.655 1.00 0.00 C ATOM 0 H PHE A 14 0.485 0.908 12.328 1.00 0.00 H new ATOM 0 HA PHE A 14 0.196 0.933 15.288 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.674 2.958 13.596 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.062 2.873 13.374 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.623 3.275 15.951 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.581 3.738 15.031 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.340 4.691 17.993 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.863 5.156 17.069 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.918 5.622 18.536 1.00 0.00 H new ATOM 149 N SER A 15 -1.997 -0.191 15.223 1.00 0.00 N ATOM 150 CA SER A 15 -3.303 -0.879 15.346 1.00 0.00 C ATOM 151 C SER A 15 -4.482 -0.039 14.825 1.00 0.00 C ATOM 152 O SER A 15 -5.077 -0.387 13.803 1.00 0.00 O ATOM 153 CB SER A 15 -3.557 -1.324 16.787 1.00 0.00 C ATOM 154 OG SER A 15 -3.403 -0.215 17.676 1.00 0.00 O ATOM 0 H SER A 15 -1.397 -0.329 16.036 1.00 0.00 H new ATOM 0 HA SER A 15 -3.241 -1.761 14.708 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.562 -1.736 16.877 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.861 -2.118 17.059 1.00 0.00 H new ATOM 0 HG SER A 15 -3.569 -0.508 18.596 1.00 0.00 H new ATOM 157 N THR A 16 -4.644 1.148 15.398 1.00 0.00 N ATOM 158 CA THR A 16 -5.705 2.105 15.009 1.00 0.00 C ATOM 159 C THR A 16 -5.567 2.594 13.566 1.00 0.00 C ATOM 160 O THR A 16 -6.504 2.407 12.785 1.00 0.00 O ATOM 161 CB THR A 16 -5.765 3.325 15.955 1.00 0.00 C ATOM 162 OG1 THR A 16 -4.753 3.228 16.968 1.00 0.00 O ATOM 163 CG2 THR A 16 -7.158 3.444 16.570 1.00 0.00 C ATOM 0 H THR A 16 -4.046 1.487 16.151 1.00 0.00 H new ATOM 0 HA THR A 16 -6.636 1.544 15.092 1.00 0.00 H new ATOM 0 HB THR A 16 -5.570 4.230 15.379 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.910 3.589 16.624 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.190 4.307 17.235 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.896 3.569 15.778 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.384 2.541 17.137 1.00 0.00 H new ATOM 166 N MET A 17 -4.365 3.012 13.166 1.00 0.00 N ATOM 167 CA MET A 17 -4.125 3.506 11.787 1.00 0.00 C ATOM 168 C MET A 17 -4.415 2.437 10.710 1.00 0.00 C ATOM 169 O MET A 17 -5.005 2.745 9.681 1.00 0.00 O ATOM 170 CB MET A 17 -2.701 4.054 11.638 1.00 0.00 C ATOM 171 CG MET A 17 -2.711 5.481 11.078 1.00 0.00 C ATOM 172 SD MET A 17 -3.412 5.656 9.392 1.00 0.00 S ATOM 173 CE MET A 17 -2.121 4.908 8.428 1.00 0.00 C ATOM 0 H MET A 17 -3.540 3.023 13.765 1.00 0.00 H new ATOM 0 HA MET A 17 -4.832 4.320 11.623 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.202 4.044 12.607 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.126 3.405 10.977 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.279 6.116 11.758 1.00 0.00 H new ATOM 0 HG3 MET A 17 -1.688 5.858 11.069 1.00 0.00 H new ATOM 0 HE1 MET A 17 -1.575 5.682 7.888 1.00 0.00 H new ATOM 0 HE2 MET A 17 -1.437 4.374 9.088 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.558 4.208 7.715 1.00 0.00 H new ATOM 175 N ARG A 18 -4.073 1.194 11.023 1.00 0.00 N ATOM 176 CA ARG A 18 -4.316 0.019 10.162 1.00 0.00 C ATOM 177 C ARG A 18 -5.815 -0.153 9.876 1.00 0.00 C ATOM 178 O ARG A 18 -6.231 -0.068 8.716 1.00 0.00 O ATOM 179 CB ARG A 18 -3.704 -1.187 10.881 1.00 0.00 C ATOM 180 CG ARG A 18 -3.660 -2.441 10.011 1.00 0.00 C ATOM 181 CD ARG A 18 -2.789 -3.543 10.633 1.00 0.00 C ATOM 182 NE ARG A 18 -3.321 -4.014 11.929 1.00 0.00 N ATOM 183 CZ ARG A 18 -2.692 -3.956 13.106 1.00 0.00 C ATOM 184 NH1 ARG A 18 -1.528 -3.345 13.258 1.00 0.00 N ATOM 185 NH2 ARG A 18 -3.138 -4.704 14.102 1.00 0.00 N ATOM 0 H ARG A 18 -3.608 0.958 11.900 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.851 0.136 9.183 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.692 -0.937 11.201 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.280 -1.397 11.782 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.673 -2.818 9.866 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.271 -2.185 9.025 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.723 -4.384 9.943 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.776 -3.166 10.774 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.256 -4.422 11.924 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.079 -2.896 12.459 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -1.080 -3.323 14.174 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.947 -5.309 13.963 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.673 -4.675 15.009 1.00 0.00 H new ATOM 192 N ARG A 19 -6.605 -0.133 10.951 1.00 0.00 N ATOM 193 CA ARG A 19 -8.085 -0.243 10.887 1.00 0.00 C ATOM 194 C ARG A 19 -8.682 0.922 10.074 1.00 0.00 C ATOM 195 O ARG A 19 -9.446 0.691 9.135 1.00 0.00 O ATOM 196 CB ARG A 19 -8.734 -0.229 12.281 1.00 0.00 C ATOM 197 CG ARG A 19 -8.083 -1.156 13.320 1.00 0.00 C ATOM 198 CD ARG A 19 -8.054 -2.635 12.911 1.00 0.00 C ATOM 199 NE ARG A 19 -7.140 -3.322 13.844 1.00 0.00 N ATOM 200 CZ ARG A 19 -7.303 -4.538 14.387 1.00 0.00 C ATOM 201 NH1 ARG A 19 -8.309 -5.340 14.049 1.00 0.00 N ATOM 202 NH2 ARG A 19 -6.391 -4.998 15.222 1.00 0.00 N ATOM 0 H ARG A 19 -6.246 -0.040 11.901 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.298 -1.198 10.407 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.711 0.791 12.664 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.783 -0.507 12.178 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.062 -0.820 13.501 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.621 -1.062 14.263 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.053 -3.069 12.960 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.709 -2.744 11.883 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.292 -2.818 14.104 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -8.991 -5.037 13.354 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -8.398 -6.258 14.485 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.574 -4.431 15.448 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.503 -5.921 15.642 1.00 0.00 H new ATOM 209 N ILE A 20 -8.162 2.136 10.311 1.00 0.00 N ATOM 210 CA ILE A 20 -8.579 3.369 9.615 1.00 0.00 C ATOM 211 C ILE A 20 -8.448 3.215 8.084 1.00 0.00 C ATOM 212 O ILE A 20 -9.462 3.303 7.396 1.00 0.00 O ATOM 213 CB ILE A 20 -7.835 4.604 10.178 1.00 0.00 C ATOM 214 CG1 ILE A 20 -8.241 4.823 11.646 1.00 0.00 C ATOM 215 CG2 ILE A 20 -8.105 5.874 9.363 1.00 0.00 C ATOM 216 CD1 ILE A 20 -7.289 5.722 12.449 1.00 0.00 C ATOM 0 H ILE A 20 -7.428 2.294 11.002 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.638 3.540 9.810 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.766 4.403 10.110 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.239 5.260 11.671 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.305 3.853 12.139 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.559 6.710 9.801 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.775 5.724 8.335 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.173 6.093 9.373 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.655 5.819 13.471 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.293 5.279 12.461 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.242 6.707 11.986 1.00 0.00 H new ATOM 218 N VAL A 21 -7.271 2.805 7.597 1.00 0.00 N ATOM 219 CA VAL A 21 -7.033 2.606 6.139 1.00 0.00 C ATOM 220 C VAL A 21 -8.055 1.622 5.550 1.00 0.00 C ATOM 221 O VAL A 21 -8.738 1.938 4.576 1.00 0.00 O ATOM 222 CB VAL A 21 -5.613 2.085 5.827 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.310 2.225 4.334 1.00 0.00 C ATOM 224 CG2 VAL A 21 -4.489 2.786 6.594 1.00 0.00 C ATOM 0 H VAL A 21 -6.460 2.601 8.181 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.143 3.589 5.682 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.628 1.043 6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.306 1.854 4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.034 1.647 3.760 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.374 3.274 4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.530 2.353 6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.493 3.849 6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.643 2.655 7.665 1.00 0.00 H new ATOM 226 N ARG A 22 -8.224 0.489 6.234 1.00 0.00 N ATOM 227 CA ARG A 22 -9.168 -0.583 5.862 1.00 0.00 C ATOM 228 C ARG A 22 -10.605 -0.026 5.720 1.00 0.00 C ATOM 229 O ARG A 22 -11.212 -0.134 4.662 1.00 0.00 O ATOM 230 CB ARG A 22 -9.076 -1.652 6.952 1.00 0.00 C ATOM 231 CG ARG A 22 -9.683 -2.988 6.541 1.00 0.00 C ATOM 232 CD ARG A 22 -9.639 -3.944 7.729 1.00 0.00 C ATOM 233 NE ARG A 22 -9.891 -5.329 7.291 1.00 0.00 N ATOM 234 CZ ARG A 22 -9.905 -6.394 8.095 1.00 0.00 C ATOM 235 NH1 ARG A 22 -9.889 -6.294 9.415 1.00 0.00 N ATOM 236 NH2 ARG A 22 -10.091 -7.596 7.566 1.00 0.00 N ATOM 0 H ARG A 22 -7.699 0.280 7.083 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.914 -1.013 4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.029 -1.803 7.216 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.582 -1.292 7.848 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -10.712 -2.847 6.210 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.132 -3.408 5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.666 -3.882 8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.384 -3.649 8.468 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.068 -5.485 6.299 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.865 -5.375 9.857 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.901 -7.136 9.990 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.220 -7.696 6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.104 -8.421 8.166 1.00 0.00 H new ATOM 243 N ASN A 23 -11.035 0.705 6.748 1.00 0.00 N ATOM 244 CA ASN A 23 -12.363 1.369 6.797 1.00 0.00 C ATOM 245 C ASN A 23 -12.555 2.367 5.638 1.00 0.00 C ATOM 246 O ASN A 23 -13.566 2.329 4.951 1.00 0.00 O ATOM 247 CB ASN A 23 -12.560 2.085 8.142 1.00 0.00 C ATOM 248 CG ASN A 23 -12.546 1.156 9.366 1.00 0.00 C ATOM 249 OD1 ASN A 23 -11.990 1.463 10.403 1.00 0.00 O ATOM 250 ND2 ASN A 23 -13.170 -0.007 9.268 1.00 0.00 N ATOM 0 H ASN A 23 -10.474 0.862 7.586 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.115 0.587 6.691 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.775 2.832 8.260 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.509 2.620 8.119 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.185 -0.646 10.063 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.636 -0.264 8.398 1.00 0.00 H new ATOM 254 N LEU A 24 -11.527 3.193 5.394 1.00 0.00 N ATOM 255 CA LEU A 24 -11.495 4.183 4.296 1.00 0.00 C ATOM 256 C LEU A 24 -11.773 3.536 2.941 1.00 0.00 C ATOM 257 O LEU A 24 -12.661 3.961 2.205 1.00 0.00 O ATOM 258 CB LEU A 24 -10.117 4.860 4.269 1.00 0.00 C ATOM 259 CG LEU A 24 -9.859 5.765 5.480 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.462 6.379 5.391 1.00 0.00 C ATOM 261 CD2 LEU A 24 -10.887 6.885 5.674 1.00 0.00 C ATOM 0 H LEU A 24 -10.679 3.196 5.960 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.278 4.919 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.344 4.092 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.029 5.451 3.358 1.00 0.00 H new ATOM 0 HG LEU A 24 -9.949 5.112 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.290 7.019 6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.716 5.585 5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.382 6.971 4.479 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.623 7.473 6.553 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.893 7.530 4.795 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.877 6.450 5.812 1.00 0.00 H new ATOM 263 N LEU A 25 -11.033 2.469 2.669 1.00 0.00 N ATOM 264 CA LEU A 25 -11.172 1.661 1.430 1.00 0.00 C ATOM 265 C LEU A 25 -12.606 1.140 1.241 1.00 0.00 C ATOM 266 O LEU A 25 -13.216 1.381 0.200 1.00 0.00 O ATOM 267 CB LEU A 25 -10.185 0.494 1.419 1.00 0.00 C ATOM 268 CG LEU A 25 -8.779 1.059 1.329 1.00 0.00 C ATOM 269 CD1 LEU A 25 -7.724 0.034 1.731 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.452 1.596 -0.071 1.00 0.00 C ATOM 0 H LEU A 25 -10.308 2.124 3.298 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.943 2.323 0.595 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.296 -0.106 2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.385 -0.164 0.573 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.753 1.890 2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.733 0.481 1.652 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.898 -0.283 2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.786 -0.830 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.435 1.989 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.537 0.789 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.151 2.392 -0.328 1.00 0.00 H new ATOM 272 N LYS A 26 -13.151 0.600 2.327 1.00 0.00 N ATOM 273 CA LYS A 26 -14.546 0.105 2.385 1.00 0.00 C ATOM 274 C LYS A 26 -15.548 1.206 1.985 1.00 0.00 C ATOM 275 O LYS A 26 -16.296 1.040 1.025 1.00 0.00 O ATOM 276 CB LYS A 26 -14.894 -0.431 3.778 1.00 0.00 C ATOM 277 CG LYS A 26 -14.120 -1.697 4.133 1.00 0.00 C ATOM 278 CD LYS A 26 -14.493 -2.189 5.532 1.00 0.00 C ATOM 279 CE LYS A 26 -13.746 -3.463 5.930 1.00 0.00 C ATOM 280 NZ LYS A 26 -14.123 -4.585 5.063 1.00 0.00 N ATOM 0 H LYS A 26 -12.643 0.487 3.204 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.622 -0.714 1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.685 0.338 4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.963 -0.638 3.826 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.332 -2.476 3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.049 -1.499 4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.277 -1.405 6.258 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.566 -2.375 5.573 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.671 -3.294 5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.968 -3.710 6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.738 -5.469 5.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.160 -4.651 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.739 -4.431 4.109 1.00 0.00 H new ATOM 285 N GLU A 27 -15.340 2.387 2.561 1.00 0.00 N ATOM 286 CA GLU A 27 -16.131 3.612 2.313 1.00 0.00 C ATOM 287 C GLU A 27 -16.095 4.045 0.832 1.00 0.00 C ATOM 288 O GLU A 27 -17.111 4.455 0.276 1.00 0.00 O ATOM 289 CB GLU A 27 -15.539 4.708 3.195 1.00 0.00 C ATOM 290 CG GLU A 27 -15.854 4.541 4.682 1.00 0.00 C ATOM 291 CD GLU A 27 -15.282 5.695 5.499 1.00 0.00 C ATOM 292 OE1 GLU A 27 -14.089 5.607 5.876 1.00 0.00 O ATOM 293 OE2 GLU A 27 -16.052 6.648 5.741 1.00 0.00 O ATOM 0 H GLU A 27 -14.592 2.534 3.239 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.178 3.423 2.550 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.457 4.724 3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.916 5.674 2.860 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.933 4.491 4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.441 3.598 5.040 1.00 0.00 H new ATOM 295 N LEU A 28 -14.914 3.910 0.232 1.00 0.00 N ATOM 296 CA LEU A 28 -14.648 4.233 -1.194 1.00 0.00 C ATOM 297 C LEU A 28 -15.222 3.215 -2.201 1.00 0.00 C ATOM 298 O LEU A 28 -15.136 3.425 -3.410 1.00 0.00 O ATOM 299 CB LEU A 28 -13.133 4.302 -1.417 1.00 0.00 C ATOM 300 CG LEU A 28 -12.438 5.429 -0.636 1.00 0.00 C ATOM 301 CD1 LEU A 28 -10.925 5.234 -0.692 1.00 0.00 C ATOM 302 CD2 LEU A 28 -12.852 6.808 -1.140 1.00 0.00 C ATOM 0 H LEU A 28 -14.088 3.566 0.723 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.148 5.184 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.690 3.348 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -12.938 4.437 -2.481 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.756 5.378 0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.434 6.034 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.665 4.273 -0.248 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.594 5.256 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.338 7.576 -0.562 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.584 6.906 -2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.929 6.928 -1.027 1.00 0.00 H new ATOM 304 N GLY A 29 -15.645 2.062 -1.695 1.00 0.00 N ATOM 305 CA GLY A 29 -16.196 0.952 -2.502 1.00 0.00 C ATOM 306 C GLY A 29 -15.261 -0.263 -2.586 1.00 0.00 C ATOM 307 O GLY A 29 -15.726 -1.385 -2.797 1.00 0.00 O ATOM 0 H GLY A 29 -15.619 1.858 -0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.148 0.639 -2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.402 1.313 -3.510 1.00 0.00 H new ATOM 309 N PHE A 30 -14.012 -0.058 -2.177 1.00 0.00 N ATOM 310 CA PHE A 30 -12.931 -1.068 -2.177 1.00 0.00 C ATOM 311 C PHE A 30 -12.971 -1.938 -0.902 1.00 0.00 C ATOM 312 O PHE A 30 -12.032 -2.026 -0.112 1.00 0.00 O ATOM 313 CB PHE A 30 -11.587 -0.338 -2.315 1.00 0.00 C ATOM 314 CG PHE A 30 -11.410 0.419 -3.629 1.00 0.00 C ATOM 315 CD1 PHE A 30 -11.062 -0.296 -4.799 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.420 1.836 -3.620 1.00 0.00 C ATOM 317 CE1 PHE A 30 -10.727 0.412 -5.981 1.00 0.00 C ATOM 318 CE2 PHE A 30 -11.066 2.543 -4.786 1.00 0.00 C ATOM 319 CZ PHE A 30 -10.718 1.827 -5.956 1.00 0.00 C ATOM 0 H PHE A 30 -13.702 0.846 -1.821 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.067 -1.748 -3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.483 0.365 -1.488 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -10.781 -1.065 -2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.052 -1.376 -4.792 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.698 2.371 -2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.482 -0.121 -6.888 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.060 3.623 -4.787 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.440 2.371 -6.847 1.00 0.00 H new ATOM 321 N ASN A 31 -14.085 -2.647 -0.792 1.00 0.00 N ATOM 322 CA ASN A 31 -14.419 -3.534 0.333 1.00 0.00 C ATOM 323 C ASN A 31 -13.595 -4.824 0.502 1.00 0.00 C ATOM 324 O ASN A 31 -13.570 -5.387 1.591 1.00 0.00 O ATOM 325 CB ASN A 31 -15.929 -3.852 0.305 1.00 0.00 C ATOM 326 CG ASN A 31 -16.721 -2.641 0.794 1.00 0.00 C ATOM 327 OD1 ASN A 31 -17.014 -2.473 1.967 1.00 0.00 O ATOM 328 ND2 ASN A 31 -17.080 -1.751 -0.102 1.00 0.00 N ATOM 0 H ASN A 31 -14.813 -2.625 -1.506 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.136 -2.957 1.214 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.236 -4.114 -0.707 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.140 -4.715 0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -17.602 -0.922 0.183 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.837 -1.888 -1.083 1.00 0.00 H new ATOM 332 N ASN A 32 -12.831 -5.194 -0.526 1.00 0.00 N ATOM 333 CA ASN A 32 -11.999 -6.410 -0.495 1.00 0.00 C ATOM 334 C ASN A 32 -10.653 -6.034 0.148 1.00 0.00 C ATOM 335 O ASN A 32 -9.618 -5.907 -0.509 1.00 0.00 O ATOM 336 CB ASN A 32 -11.768 -6.931 -1.919 1.00 0.00 C ATOM 337 CG ASN A 32 -13.012 -7.085 -2.796 1.00 0.00 C ATOM 338 OD1 ASN A 32 -13.584 -6.129 -3.301 1.00 0.00 O ATOM 339 ND2 ASN A 32 -13.381 -8.311 -3.048 1.00 0.00 N ATOM 0 H ASN A 32 -12.767 -4.669 -1.398 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.495 -7.195 0.076 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.076 -6.255 -2.422 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.274 -7.901 -1.852 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.163 -8.489 -3.679 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.888 -9.091 -2.614 1.00 0.00 H new ATOM 343 N VAL A 33 -10.691 -5.781 1.453 1.00 0.00 N ATOM 344 CA VAL A 33 -9.492 -5.346 2.192 1.00 0.00 C ATOM 345 C VAL A 33 -9.159 -6.163 3.453 1.00 0.00 C ATOM 346 O VAL A 33 -9.964 -6.315 4.372 1.00 0.00 O ATOM 347 CB VAL A 33 -9.553 -3.823 2.382 1.00 0.00 C ATOM 348 CG1 VAL A 33 -10.817 -3.325 3.102 1.00 0.00 C ATOM 349 CG2 VAL A 33 -8.286 -3.279 3.046 1.00 0.00 C ATOM 0 H VAL A 33 -11.531 -5.867 2.025 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.616 -5.574 1.584 1.00 0.00 H new ATOM 0 HB VAL A 33 -9.612 -3.418 1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -10.779 -2.240 3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -11.699 -3.610 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -10.870 -3.772 4.095 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -8.371 -2.198 3.161 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -8.162 -3.740 4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.421 -3.511 2.424 1.00 0.00 H new ATOM 351 N GLU A 34 -7.918 -6.631 3.467 1.00 0.00 N ATOM 352 CA GLU A 34 -7.334 -7.436 4.558 1.00 0.00 C ATOM 353 C GLU A 34 -6.120 -6.682 5.106 1.00 0.00 C ATOM 354 O GLU A 34 -5.565 -5.795 4.452 1.00 0.00 O ATOM 355 CB GLU A 34 -6.989 -8.809 3.975 1.00 0.00 C ATOM 356 CG GLU A 34 -8.259 -9.648 3.802 1.00 0.00 C ATOM 357 CD GLU A 34 -8.120 -10.741 2.734 1.00 0.00 C ATOM 358 OE1 GLU A 34 -8.418 -10.425 1.558 1.00 0.00 O ATOM 359 OE2 GLU A 34 -7.876 -11.903 3.138 1.00 0.00 O ATOM 0 H GLU A 34 -7.263 -6.462 2.704 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.017 -7.591 5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.491 -8.688 3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.290 -9.326 4.633 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.514 -10.111 4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.087 -8.991 3.535 1.00 0.00 H new ATOM 361 N GLU A 35 -5.713 -7.037 6.324 1.00 0.00 N ATOM 362 CA GLU A 35 -4.613 -6.324 6.991 1.00 0.00 C ATOM 363 C GLU A 35 -3.503 -7.124 7.672 1.00 0.00 C ATOM 364 O GLU A 35 -3.722 -8.186 8.251 1.00 0.00 O ATOM 365 CB GLU A 35 -5.170 -5.257 7.954 1.00 0.00 C ATOM 366 CG GLU A 35 -6.183 -5.786 8.975 1.00 0.00 C ATOM 367 CD GLU A 35 -6.489 -4.740 10.048 1.00 0.00 C ATOM 368 OE1 GLU A 35 -7.189 -3.746 9.736 1.00 0.00 O ATOM 369 OE2 GLU A 35 -5.972 -4.934 11.178 1.00 0.00 O ATOM 0 H GLU A 35 -6.118 -7.801 6.866 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.086 -5.889 6.142 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.338 -4.801 8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.642 -4.469 7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.104 -6.067 8.464 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.792 -6.688 9.445 1.00 0.00 H new ATOM 371 N ALA A 36 -2.303 -6.575 7.492 1.00 0.00 N ATOM 372 CA ALA A 36 -1.019 -7.054 8.045 1.00 0.00 C ATOM 373 C ALA A 36 -0.347 -5.920 8.841 1.00 0.00 C ATOM 374 O ALA A 36 -0.559 -4.738 8.575 1.00 0.00 O ATOM 375 CB ALA A 36 -0.110 -7.498 6.900 1.00 0.00 C ATOM 0 H ALA A 36 -2.184 -5.735 6.925 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.197 -7.899 8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.838 -7.852 7.305 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.591 -8.303 6.345 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.072 -6.656 6.232 1.00 0.00 H new ATOM 377 N GLU A 37 0.589 -6.297 9.711 1.00 0.00 N ATOM 378 CA GLU A 37 1.259 -5.303 10.579 1.00 0.00 C ATOM 379 C GLU A 37 2.628 -4.787 10.103 1.00 0.00 C ATOM 380 O GLU A 37 2.893 -3.593 10.119 1.00 0.00 O ATOM 381 CB GLU A 37 1.396 -5.852 12.010 1.00 0.00 C ATOM 382 CG GLU A 37 0.032 -6.146 12.643 1.00 0.00 C ATOM 383 CD GLU A 37 0.151 -6.462 14.130 1.00 0.00 C ATOM 384 OE1 GLU A 37 0.270 -5.493 14.913 1.00 0.00 O ATOM 385 OE2 GLU A 37 0.158 -7.665 14.465 1.00 0.00 O ATOM 0 H GLU A 37 0.902 -7.259 9.840 1.00 0.00 H new ATOM 0 HA GLU A 37 0.600 -4.436 10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.992 -6.764 11.993 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.934 -5.131 12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.625 -5.287 12.506 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.433 -6.987 12.129 1.00 0.00 H new ATOM 387 N ASP A 38 3.421 -5.702 9.556 1.00 0.00 N ATOM 388 CA ASP A 38 4.802 -5.428 9.117 1.00 0.00 C ATOM 389 C ASP A 38 5.103 -6.088 7.758 1.00 0.00 C ATOM 390 O ASP A 38 4.423 -7.052 7.406 1.00 0.00 O ATOM 391 CB ASP A 38 5.762 -5.933 10.195 1.00 0.00 C ATOM 392 CG ASP A 38 5.602 -7.437 10.462 1.00 0.00 C ATOM 393 OD1 ASP A 38 6.176 -8.212 9.666 1.00 0.00 O ATOM 394 OD2 ASP A 38 4.770 -7.777 11.325 1.00 0.00 O ATOM 0 H ASP A 38 3.129 -6.667 9.399 1.00 0.00 H new ATOM 0 HA ASP A 38 4.931 -4.354 8.980 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.788 -5.728 9.889 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.589 -5.382 11.119 1.00 0.00 H new ATOM 396 N GLY A 39 6.248 -5.729 7.197 1.00 0.00 N ATOM 397 CA GLY A 39 6.747 -6.249 5.902 1.00 0.00 C ATOM 398 C GLY A 39 6.644 -7.774 5.711 1.00 0.00 C ATOM 399 O GLY A 39 5.953 -8.240 4.807 1.00 0.00 O ATOM 0 H GLY A 39 6.881 -5.054 7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.194 -5.762 5.099 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.791 -5.957 5.792 1.00 0.00 H new ATOM 401 N VAL A 40 7.204 -8.523 6.662 1.00 0.00 N ATOM 402 CA VAL A 40 7.194 -9.999 6.653 1.00 0.00 C ATOM 403 C VAL A 40 5.757 -10.562 6.607 1.00 0.00 C ATOM 404 O VAL A 40 5.387 -11.223 5.643 1.00 0.00 O ATOM 405 CB VAL A 40 7.964 -10.579 7.854 1.00 0.00 C ATOM 406 CG1 VAL A 40 8.052 -12.113 7.755 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.388 -10.025 7.968 1.00 0.00 C ATOM 0 H VAL A 40 7.683 -8.125 7.470 1.00 0.00 H new ATOM 0 HA VAL A 40 7.705 -10.311 5.742 1.00 0.00 H new ATOM 0 HB VAL A 40 7.404 -10.282 8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.600 -12.502 8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.047 -12.535 7.744 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.571 -12.389 6.837 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.883 -10.469 8.832 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.947 -10.269 7.065 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.349 -8.942 8.089 1.00 0.00 H new ATOM 409 N ASP A 41 4.931 -10.125 7.568 1.00 0.00 N ATOM 410 CA ASP A 41 3.516 -10.522 7.680 1.00 0.00 C ATOM 411 C ASP A 41 2.729 -10.240 6.386 1.00 0.00 C ATOM 412 O ASP A 41 1.891 -11.033 5.966 1.00 0.00 O ATOM 413 CB ASP A 41 2.933 -9.770 8.882 1.00 0.00 C ATOM 414 CG ASP A 41 1.519 -10.183 9.299 1.00 0.00 C ATOM 415 OD1 ASP A 41 1.191 -11.384 9.199 1.00 0.00 O ATOM 416 OD2 ASP A 41 0.828 -9.252 9.765 1.00 0.00 O ATOM 0 H ASP A 41 5.228 -9.478 8.299 1.00 0.00 H new ATOM 0 HA ASP A 41 3.437 -11.599 7.831 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.599 -9.910 9.733 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.928 -8.704 8.653 1.00 0.00 H new ATOM 418 N ALA A 42 3.079 -9.122 5.737 1.00 0.00 N ATOM 419 CA ALA A 42 2.484 -8.695 4.453 1.00 0.00 C ATOM 420 C ALA A 42 2.852 -9.656 3.323 1.00 0.00 C ATOM 421 O ALA A 42 1.951 -10.171 2.663 1.00 0.00 O ATOM 422 CB ALA A 42 2.983 -7.292 4.119 1.00 0.00 C ATOM 0 H ALA A 42 3.789 -8.479 6.087 1.00 0.00 H new ATOM 0 HA ALA A 42 1.399 -8.697 4.553 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.550 -6.967 3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.686 -6.603 4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.070 -7.303 4.036 1.00 0.00 H new ATOM 424 N LEU A 43 4.149 -9.945 3.189 1.00 0.00 N ATOM 425 CA LEU A 43 4.670 -10.906 2.182 1.00 0.00 C ATOM 426 C LEU A 43 3.959 -12.263 2.315 1.00 0.00 C ATOM 427 O LEU A 43 3.336 -12.716 1.360 1.00 0.00 O ATOM 428 CB LEU A 43 6.188 -11.118 2.284 1.00 0.00 C ATOM 429 CG LEU A 43 7.002 -9.921 1.760 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.486 -10.178 2.027 1.00 0.00 C ATOM 431 CD2 LEU A 43 6.802 -9.676 0.262 1.00 0.00 C ATOM 0 H LEU A 43 4.876 -9.526 3.769 1.00 0.00 H new ATOM 0 HA LEU A 43 4.464 -10.467 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.454 -11.303 3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.463 -12.010 1.722 1.00 0.00 H new ATOM 0 HG LEU A 43 6.650 -9.032 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.073 -9.336 1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.648 -10.293 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.796 -11.088 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.401 -8.820 -0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.113 -10.559 -0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.749 -9.474 0.064 1.00 0.00 H new ATOM 433 N ASN A 44 3.844 -12.727 3.556 1.00 0.00 N ATOM 434 CA ASN A 44 3.151 -13.985 3.903 1.00 0.00 C ATOM 435 C ASN A 44 1.688 -13.979 3.412 1.00 0.00 C ATOM 436 O ASN A 44 1.268 -14.860 2.666 1.00 0.00 O ATOM 437 CB ASN A 44 3.230 -14.187 5.419 1.00 0.00 C ATOM 438 CG ASN A 44 4.666 -14.470 5.890 1.00 0.00 C ATOM 439 OD1 ASN A 44 5.098 -14.017 6.941 1.00 0.00 O ATOM 440 ND2 ASN A 44 5.483 -15.108 5.078 1.00 0.00 N ATOM 0 H ASN A 44 4.231 -12.242 4.366 1.00 0.00 H new ATOM 0 HA ASN A 44 3.643 -14.818 3.400 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.852 -13.298 5.923 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.584 -15.016 5.708 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.465 -15.220 5.328 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.133 -15.490 4.199 1.00 0.00 H new ATOM 444 N LYS A 45 0.978 -12.930 3.797 1.00 0.00 N ATOM 445 CA LYS A 45 -0.416 -12.677 3.369 1.00 0.00 C ATOM 446 C LYS A 45 -0.552 -12.613 1.834 1.00 0.00 C ATOM 447 O LYS A 45 -1.396 -13.300 1.263 1.00 0.00 O ATOM 448 CB LYS A 45 -0.948 -11.422 4.060 1.00 0.00 C ATOM 449 CG LYS A 45 -1.464 -11.842 5.440 1.00 0.00 C ATOM 450 CD LYS A 45 -2.080 -10.679 6.213 1.00 0.00 C ATOM 451 CE LYS A 45 -2.736 -11.191 7.497 1.00 0.00 C ATOM 452 NZ LYS A 45 -3.979 -11.920 7.185 1.00 0.00 N ATOM 0 H LYS A 45 1.345 -12.213 4.423 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.033 -13.521 3.679 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.161 -10.674 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.747 -10.970 3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.208 -12.630 5.322 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.642 -12.264 6.019 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.311 -9.945 6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.820 -10.172 5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.046 -11.847 8.029 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.955 -10.354 8.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.562 -11.995 8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.507 -11.407 6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.745 -12.873 6.841 1.00 0.00 H new ATOM 457 N LEU A 46 0.359 -11.886 1.186 1.00 0.00 N ATOM 458 CA LEU A 46 0.431 -11.767 -0.277 1.00 0.00 C ATOM 459 C LEU A 46 0.626 -13.139 -0.950 1.00 0.00 C ATOM 460 O LEU A 46 -0.065 -13.480 -1.906 1.00 0.00 O ATOM 461 CB LEU A 46 1.566 -10.829 -0.687 1.00 0.00 C ATOM 462 CG LEU A 46 1.212 -9.362 -0.438 1.00 0.00 C ATOM 463 CD1 LEU A 46 2.480 -8.516 -0.286 1.00 0.00 C ATOM 464 CD2 LEU A 46 0.328 -8.825 -1.563 1.00 0.00 C ATOM 0 H LEU A 46 1.082 -11.352 1.669 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.519 -11.352 -0.613 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.467 -11.085 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.793 -10.973 -1.743 1.00 0.00 H new ATOM 0 HG LEU A 46 0.651 -9.297 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.205 -7.476 -0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.064 -8.885 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.074 -8.584 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.086 -7.780 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.858 -8.904 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.592 -9.407 -1.612 1.00 0.00 H new ATOM 466 N GLN A 47 1.510 -13.947 -0.353 1.00 0.00 N ATOM 467 CA GLN A 47 1.830 -15.332 -0.786 1.00 0.00 C ATOM 468 C GLN A 47 0.597 -16.251 -0.743 1.00 0.00 C ATOM 469 O GLN A 47 0.519 -17.208 -1.521 1.00 0.00 O ATOM 470 CB GLN A 47 2.964 -15.913 0.069 1.00 0.00 C ATOM 471 CG GLN A 47 4.290 -15.199 -0.204 1.00 0.00 C ATOM 472 CD GLN A 47 5.404 -15.635 0.751 1.00 0.00 C ATOM 473 OE1 GLN A 47 5.393 -15.405 1.957 1.00 0.00 O ATOM 474 NE2 GLN A 47 6.437 -16.220 0.192 1.00 0.00 N ATOM 0 H GLN A 47 2.042 -13.657 0.468 1.00 0.00 H new ATOM 0 HA GLN A 47 2.159 -15.280 -1.824 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.710 -15.821 1.125 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.072 -16.977 -0.141 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.599 -15.396 -1.230 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.143 -14.123 -0.117 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.436 -16.407 -0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.241 -16.488 0.760 1.00 0.00 H new ATOM 478 N ALA A 48 -0.322 -15.964 0.176 1.00 0.00 N ATOM 479 CA ALA A 48 -1.619 -16.679 0.300 1.00 0.00 C ATOM 480 C ALA A 48 -2.533 -16.444 -0.923 1.00 0.00 C ATOM 481 O ALA A 48 -3.512 -17.167 -1.119 1.00 0.00 O ATOM 482 CB ALA A 48 -2.314 -16.259 1.597 1.00 0.00 C ATOM 0 H ALA A 48 -0.200 -15.225 0.868 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.415 -17.749 0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.265 -16.784 1.687 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.680 -16.509 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.493 -15.184 1.582 1.00 0.00 H new ATOM 484 N GLY A 49 -2.242 -15.377 -1.669 1.00 0.00 N ATOM 485 CA GLY A 49 -2.928 -14.994 -2.922 1.00 0.00 C ATOM 486 C GLY A 49 -3.965 -13.864 -2.846 1.00 0.00 C ATOM 487 O GLY A 49 -4.067 -13.118 -1.869 1.00 0.00 O ATOM 0 H GLY A 49 -1.497 -14.728 -1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.167 -14.704 -3.647 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.424 -15.880 -3.318 1.00 0.00 H new ATOM 489 N GLY A 50 -4.422 -13.555 -4.054 1.00 0.00 N ATOM 490 CA GLY A 50 -5.488 -12.577 -4.379 1.00 0.00 C ATOM 491 C GLY A 50 -5.213 -11.068 -4.376 1.00 0.00 C ATOM 492 O GLY A 50 -5.820 -10.345 -5.165 1.00 0.00 O ATOM 0 H GLY A 50 -4.045 -13.999 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.860 -12.830 -5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.305 -12.753 -3.679 1.00 0.00 H new ATOM 494 N TYR A 51 -4.328 -10.584 -3.503 1.00 0.00 N ATOM 495 CA TYR A 51 -4.052 -9.124 -3.388 1.00 0.00 C ATOM 496 C TYR A 51 -3.395 -8.469 -4.608 1.00 0.00 C ATOM 497 O TYR A 51 -2.197 -8.613 -4.824 1.00 0.00 O ATOM 498 CB TYR A 51 -3.235 -8.787 -2.138 1.00 0.00 C ATOM 499 CG TYR A 51 -3.779 -9.419 -0.859 1.00 0.00 C ATOM 500 CD1 TYR A 51 -4.886 -8.835 -0.197 1.00 0.00 C ATOM 501 CD2 TYR A 51 -3.131 -10.567 -0.366 1.00 0.00 C ATOM 502 CE1 TYR A 51 -5.337 -9.423 1.000 1.00 0.00 C ATOM 503 CE2 TYR A 51 -3.604 -11.163 0.813 1.00 0.00 C ATOM 504 CZ TYR A 51 -4.691 -10.579 1.481 1.00 0.00 C ATOM 505 OH TYR A 51 -5.091 -11.129 2.655 1.00 0.00 O ATOM 0 H TYR A 51 -3.786 -11.165 -2.863 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.052 -8.697 -3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.207 -9.117 -2.287 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.207 -7.704 -2.014 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.373 -7.959 -0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.282 -10.983 -0.888 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.167 -8.994 1.542 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -3.139 -12.057 1.200 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.547 -11.921 2.847 1.00 0.00 H new ATOM 508 N GLY A 52 -4.176 -7.590 -5.230 1.00 0.00 N ATOM 509 CA GLY A 52 -3.768 -6.814 -6.414 1.00 0.00 C ATOM 510 C GLY A 52 -3.352 -5.371 -6.077 1.00 0.00 C ATOM 511 O GLY A 52 -3.354 -4.499 -6.943 1.00 0.00 O ATOM 0 H GLY A 52 -5.128 -7.388 -4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.936 -7.320 -6.904 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.592 -6.791 -7.127 1.00 0.00 H new ATOM 513 N PHE A 53 -3.080 -5.136 -4.789 1.00 0.00 N ATOM 514 CA PHE A 53 -2.662 -3.836 -4.231 1.00 0.00 C ATOM 515 C PHE A 53 -2.112 -4.014 -2.804 1.00 0.00 C ATOM 516 O PHE A 53 -2.683 -4.732 -1.972 1.00 0.00 O ATOM 517 CB PHE A 53 -3.856 -2.891 -4.158 1.00 0.00 C ATOM 518 CG PHE A 53 -3.508 -1.415 -4.355 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.546 -0.773 -3.539 1.00 0.00 C ATOM 520 CD2 PHE A 53 -4.113 -0.727 -5.431 1.00 0.00 C ATOM 521 CE1 PHE A 53 -2.175 0.553 -3.816 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.738 0.608 -5.706 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.768 1.237 -4.899 1.00 0.00 C ATOM 0 H PHE A 53 -3.145 -5.866 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.889 -3.425 -4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.583 -3.184 -4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.340 -3.011 -3.189 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.100 -1.300 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.858 -1.218 -6.040 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.438 1.048 -3.202 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.191 1.142 -6.528 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.475 2.254 -5.112 1.00 0.00 H new ATOM 525 N VAL A 54 -1.023 -3.291 -2.541 1.00 0.00 N ATOM 526 CA VAL A 54 -0.334 -3.270 -1.232 1.00 0.00 C ATOM 527 C VAL A 54 -0.228 -1.813 -0.761 1.00 0.00 C ATOM 528 O VAL A 54 0.266 -0.940 -1.478 1.00 0.00 O ATOM 529 CB VAL A 54 1.087 -3.867 -1.319 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.737 -3.991 0.061 1.00 0.00 C ATOM 531 CG2 VAL A 54 1.098 -5.261 -1.958 1.00 0.00 C ATOM 0 H VAL A 54 -0.581 -2.691 -3.237 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.912 -3.875 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 54 1.650 -3.172 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.736 -4.415 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.808 -3.005 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.131 -4.642 0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.121 -5.636 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.485 -5.938 -1.364 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.696 -5.201 -2.970 1.00 0.00 H new ATOM 533 N ILE A 55 -0.707 -1.578 0.453 1.00 0.00 N ATOM 534 CA ILE A 55 -0.648 -0.258 1.119 1.00 0.00 C ATOM 535 C ILE A 55 0.330 -0.444 2.293 1.00 0.00 C ATOM 536 O ILE A 55 -0.032 -0.992 3.333 1.00 0.00 O ATOM 537 CB ILE A 55 -2.062 0.229 1.515 1.00 0.00 C ATOM 538 CG1 ILE A 55 -2.879 0.539 0.256 1.00 0.00 C ATOM 539 CG2 ILE A 55 -1.979 1.450 2.455 1.00 0.00 C ATOM 540 CD1 ILE A 55 -4.348 0.871 0.506 1.00 0.00 C ATOM 0 H ILE A 55 -1.155 -2.298 1.020 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.284 0.539 0.470 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.570 -0.565 2.063 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.415 1.378 -0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.825 -0.319 -0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.985 1.774 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.436 1.176 3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.457 2.263 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.842 1.075 -0.444 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.834 0.026 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.418 1.749 1.148 1.00 0.00 H new ATOM 542 N SER A 56 1.569 -0.010 2.086 1.00 0.00 N ATOM 543 CA SER A 56 2.650 -0.189 3.072 1.00 0.00 C ATOM 544 C SER A 56 3.123 1.081 3.793 1.00 0.00 C ATOM 545 O SER A 56 3.543 2.074 3.199 1.00 0.00 O ATOM 546 CB SER A 56 3.854 -0.876 2.412 1.00 0.00 C ATOM 547 OG SER A 56 4.939 -1.009 3.341 1.00 0.00 O ATOM 0 H SER A 56 1.860 0.475 1.237 1.00 0.00 H new ATOM 0 HA SER A 56 2.206 -0.809 3.850 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.561 -1.860 2.046 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.179 -0.298 1.547 1.00 0.00 H new ATOM 0 HG SER A 56 5.711 -1.407 2.887 1.00 0.00 H new ATOM 550 N ASP A 57 3.039 0.978 5.117 1.00 0.00 N ATOM 551 CA ASP A 57 3.487 2.014 6.064 1.00 0.00 C ATOM 552 C ASP A 57 5.017 2.034 6.116 1.00 0.00 C ATOM 553 O ASP A 57 5.650 1.027 6.426 1.00 0.00 O ATOM 554 CB ASP A 57 2.856 1.645 7.411 1.00 0.00 C ATOM 555 CG ASP A 57 3.237 2.464 8.645 1.00 0.00 C ATOM 556 OD1 ASP A 57 3.942 3.492 8.482 1.00 0.00 O ATOM 557 OD2 ASP A 57 2.800 2.019 9.732 1.00 0.00 O ATOM 0 H ASP A 57 2.650 0.156 5.579 1.00 0.00 H new ATOM 0 HA ASP A 57 3.181 3.019 5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.774 1.702 7.297 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.100 0.603 7.617 1.00 0.00 H new ATOM 559 N TRP A 58 5.587 3.226 5.913 1.00 0.00 N ATOM 560 CA TRP A 58 7.040 3.459 5.937 1.00 0.00 C ATOM 561 C TRP A 58 7.675 2.920 7.235 1.00 0.00 C ATOM 562 O TRP A 58 8.552 2.051 7.192 1.00 0.00 O ATOM 563 CB TRP A 58 7.333 4.955 5.723 1.00 0.00 C ATOM 564 CG TRP A 58 8.732 5.165 5.137 1.00 0.00 C ATOM 565 CD1 TRP A 58 9.903 5.083 5.771 1.00 0.00 C ATOM 566 CD2 TRP A 58 9.017 5.280 3.784 1.00 0.00 C ATOM 567 NE1 TRP A 58 10.903 5.120 4.895 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.413 5.247 3.662 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.195 5.398 2.633 1.00 0.00 C ATOM 570 CZ2 TRP A 58 11.024 5.314 2.389 1.00 0.00 C ATOM 571 CZ3 TRP A 58 8.812 5.459 1.372 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.212 5.412 1.250 1.00 0.00 C ATOM 0 H TRP A 58 5.047 4.070 5.724 1.00 0.00 H new ATOM 0 HA TRP A 58 7.500 2.905 5.118 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.587 5.383 5.053 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.250 5.484 6.672 1.00 0.00 H new ATOM 0 HD1 TRP A 58 10.022 4.999 6.841 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.894 5.060 5.131 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.120 5.440 2.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 12.100 5.290 2.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.203 5.543 0.484 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.666 5.452 0.271 1.00 0.00 H new ATOM 575 N ASN A 59 7.069 3.283 8.355 1.00 0.00 N ATOM 576 CA ASN A 59 7.490 2.846 9.698 1.00 0.00 C ATOM 577 C ASN A 59 6.807 1.518 10.085 1.00 0.00 C ATOM 578 O ASN A 59 5.602 1.467 10.325 1.00 0.00 O ATOM 579 CB ASN A 59 7.253 3.959 10.736 1.00 0.00 C ATOM 580 CG ASN A 59 5.888 4.652 10.639 1.00 0.00 C ATOM 581 OD1 ASN A 59 5.648 5.500 9.778 1.00 0.00 O ATOM 582 ND2 ASN A 59 4.945 4.260 11.462 1.00 0.00 N ATOM 0 H ASN A 59 6.256 3.899 8.368 1.00 0.00 H new ATOM 0 HA ASN A 59 8.563 2.654 9.682 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.358 3.533 11.734 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.035 4.711 10.626 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.008 4.657 11.391 1.00 0.00 H new ATOM 0 HD22 ASN A 59 5.148 3.558 12.173 1.00 0.00 H new ATOM 586 N MET A 60 7.555 0.447 9.858 1.00 0.00 N ATOM 587 CA MET A 60 7.134 -0.940 10.155 1.00 0.00 C ATOM 588 C MET A 60 8.263 -1.780 10.776 1.00 0.00 C ATOM 589 O MET A 60 9.391 -1.722 10.280 1.00 0.00 O ATOM 590 CB MET A 60 6.570 -1.596 8.887 1.00 0.00 C ATOM 591 CG MET A 60 5.127 -1.169 8.636 1.00 0.00 C ATOM 592 SD MET A 60 4.235 -2.132 7.363 1.00 0.00 S ATOM 593 CE MET A 60 5.443 -2.297 6.063 1.00 0.00 C ATOM 0 H MET A 60 8.490 0.505 9.455 1.00 0.00 H new ATOM 0 HA MET A 60 6.347 -0.896 10.908 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.186 -1.324 8.030 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.619 -2.681 8.984 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.576 -1.241 9.574 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.122 -0.119 8.343 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.962 -2.688 5.166 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.879 -1.322 5.845 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.228 -2.983 6.381 1.00 0.00 H new ATOM 595 N PRO A 61 7.997 -2.511 11.873 1.00 0.00 N ATOM 596 CA PRO A 61 8.998 -3.354 12.568 1.00 0.00 C ATOM 597 C PRO A 61 9.460 -4.532 11.692 1.00 0.00 C ATOM 598 O PRO A 61 8.712 -4.993 10.833 1.00 0.00 O ATOM 599 CB PRO A 61 8.300 -3.843 13.842 1.00 0.00 C ATOM 600 CG PRO A 61 6.813 -3.842 13.468 1.00 0.00 C ATOM 601 CD PRO A 61 6.684 -2.625 12.547 1.00 0.00 C ATOM 0 HA PRO A 61 9.904 -2.792 12.794 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.640 -4.839 14.127 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.501 -3.183 14.686 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.525 -4.763 12.961 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.177 -3.750 14.348 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.880 -2.761 11.824 1.00 0.00 H new ATOM 0 HD3 PRO A 61 6.453 -1.724 13.115 1.00 0.00 H new ATOM 602 N ASN A 62 10.709 -4.932 11.935 1.00 0.00 N ATOM 603 CA ASN A 62 11.429 -6.023 11.223 1.00 0.00 C ATOM 604 C ASN A 62 11.744 -5.670 9.762 1.00 0.00 C ATOM 605 O ASN A 62 12.901 -5.466 9.403 1.00 0.00 O ATOM 606 CB ASN A 62 10.723 -7.387 11.325 1.00 0.00 C ATOM 607 CG ASN A 62 10.544 -7.815 12.781 1.00 0.00 C ATOM 608 OD1 ASN A 62 9.539 -7.547 13.428 1.00 0.00 O ATOM 609 ND2 ASN A 62 11.548 -8.466 13.335 1.00 0.00 N ATOM 0 H ASN A 62 11.281 -4.497 12.659 1.00 0.00 H new ATOM 0 HA ASN A 62 12.379 -6.122 11.747 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.749 -7.332 10.838 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.304 -8.140 10.792 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.493 -8.752 14.312 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.380 -8.683 12.786 1.00 0.00 H new ATOM 613 N MET A 63 10.689 -5.493 8.973 1.00 0.00 N ATOM 614 CA MET A 63 10.770 -5.118 7.555 1.00 0.00 C ATOM 615 C MET A 63 9.900 -3.873 7.336 1.00 0.00 C ATOM 616 O MET A 63 8.677 -3.917 7.486 1.00 0.00 O ATOM 617 CB MET A 63 10.318 -6.309 6.700 1.00 0.00 C ATOM 618 CG MET A 63 10.512 -6.048 5.203 1.00 0.00 C ATOM 619 SD MET A 63 9.888 -7.374 4.112 1.00 0.00 S ATOM 620 CE MET A 63 11.126 -8.625 4.386 1.00 0.00 C ATOM 0 H MET A 63 9.731 -5.607 9.303 1.00 0.00 H new ATOM 0 HA MET A 63 11.790 -4.873 7.260 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.881 -7.197 6.989 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.267 -6.519 6.898 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.011 -5.116 4.942 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.575 -5.905 5.007 1.00 0.00 H new ATOM 0 HE1 MET A 63 10.921 -9.486 3.749 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.110 -8.222 4.146 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.106 -8.934 5.431 1.00 0.00 H new ATOM 622 N ASP A 64 10.600 -2.749 7.254 1.00 0.00 N ATOM 623 CA ASP A 64 9.977 -1.424 7.016 1.00 0.00 C ATOM 624 C ASP A 64 9.322 -1.339 5.621 1.00 0.00 C ATOM 625 O ASP A 64 9.690 -2.109 4.738 1.00 0.00 O ATOM 626 CB ASP A 64 10.986 -0.282 7.245 1.00 0.00 C ATOM 627 CG ASP A 64 12.173 -0.253 6.270 1.00 0.00 C ATOM 628 OD1 ASP A 64 11.906 -0.068 5.062 1.00 0.00 O ATOM 629 OD2 ASP A 64 13.308 -0.440 6.747 1.00 0.00 O ATOM 0 H ASP A 64 11.615 -2.715 7.348 1.00 0.00 H new ATOM 0 HA ASP A 64 9.177 -1.305 7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.457 0.668 7.176 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.373 -0.359 8.261 1.00 0.00 H new ATOM 631 N GLY A 65 8.550 -0.278 5.407 1.00 0.00 N ATOM 632 CA GLY A 65 7.814 -0.031 4.158 1.00 0.00 C ATOM 633 C GLY A 65 8.656 -0.127 2.872 1.00 0.00 C ATOM 634 O GLY A 65 8.359 -0.919 1.984 1.00 0.00 O ATOM 0 H GLY A 65 8.412 0.452 6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.994 -0.746 4.091 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.368 0.962 4.208 1.00 0.00 H new ATOM 636 N LEU A 66 9.763 0.610 2.847 1.00 0.00 N ATOM 637 CA LEU A 66 10.693 0.641 1.705 1.00 0.00 C ATOM 638 C LEU A 66 11.289 -0.756 1.392 1.00 0.00 C ATOM 639 O LEU A 66 11.342 -1.165 0.237 1.00 0.00 O ATOM 640 CB LEU A 66 11.745 1.710 2.017 1.00 0.00 C ATOM 641 CG LEU A 66 12.701 1.973 0.850 1.00 0.00 C ATOM 642 CD1 LEU A 66 12.006 2.404 -0.445 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.694 3.076 1.229 1.00 0.00 C ATOM 0 H LEU A 66 10.049 1.210 3.621 1.00 0.00 H new ATOM 0 HA LEU A 66 10.172 0.906 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.242 2.640 2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.322 1.400 2.888 1.00 0.00 H new ATOM 0 HG LEU A 66 13.195 1.020 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.753 2.570 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.317 1.622 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.452 3.327 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.371 3.258 0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.150 3.991 1.461 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.269 2.764 2.101 1.00 0.00 H new ATOM 645 N GLU A 67 11.593 -1.519 2.438 1.00 0.00 N ATOM 646 CA GLU A 67 12.101 -2.904 2.297 1.00 0.00 C ATOM 647 C GLU A 67 11.012 -3.820 1.702 1.00 0.00 C ATOM 648 O GLU A 67 11.268 -4.553 0.744 1.00 0.00 O ATOM 649 CB GLU A 67 12.582 -3.470 3.638 1.00 0.00 C ATOM 650 CG GLU A 67 13.834 -2.778 4.183 1.00 0.00 C ATOM 651 CD GLU A 67 14.195 -3.330 5.560 1.00 0.00 C ATOM 652 OE1 GLU A 67 13.355 -3.159 6.474 1.00 0.00 O ATOM 653 OE2 GLU A 67 15.305 -3.905 5.670 1.00 0.00 O ATOM 0 H GLU A 67 11.499 -1.209 3.405 1.00 0.00 H new ATOM 0 HA GLU A 67 12.954 -2.871 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.779 -3.379 4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.787 -4.534 3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.667 -2.927 3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.663 -1.704 4.249 1.00 0.00 H new ATOM 655 N LEU A 68 9.786 -3.649 2.196 1.00 0.00 N ATOM 656 CA LEU A 68 8.595 -4.395 1.708 1.00 0.00 C ATOM 657 C LEU A 68 8.356 -4.133 0.210 1.00 0.00 C ATOM 658 O LEU A 68 8.213 -5.081 -0.568 1.00 0.00 O ATOM 659 CB LEU A 68 7.374 -4.044 2.577 1.00 0.00 C ATOM 660 CG LEU A 68 6.092 -4.766 2.126 1.00 0.00 C ATOM 661 CD1 LEU A 68 6.207 -6.289 2.163 1.00 0.00 C ATOM 662 CD2 LEU A 68 4.924 -4.330 3.008 1.00 0.00 C ATOM 0 H LEU A 68 9.576 -2.992 2.947 1.00 0.00 H new ATOM 0 HA LEU A 68 8.771 -5.466 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.586 -4.304 3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.209 -2.967 2.545 1.00 0.00 H new ATOM 0 HG LEU A 68 5.925 -4.485 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.268 -6.733 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.012 -6.609 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.423 -6.613 3.181 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.016 -4.841 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.137 -4.584 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.784 -3.253 2.920 1.00 0.00 H new ATOM 664 N LEU A 69 8.446 -2.863 -0.173 1.00 0.00 N ATOM 665 CA LEU A 69 8.335 -2.371 -1.559 1.00 0.00 C ATOM 666 C LEU A 69 9.277 -3.193 -2.462 1.00 0.00 C ATOM 667 O LEU A 69 8.811 -3.921 -3.336 1.00 0.00 O ATOM 668 CB LEU A 69 8.750 -0.896 -1.450 1.00 0.00 C ATOM 669 CG LEU A 69 8.485 0.010 -2.652 1.00 0.00 C ATOM 670 CD1 LEU A 69 8.776 1.445 -2.218 1.00 0.00 C ATOM 671 CD2 LEU A 69 9.330 -0.329 -3.872 1.00 0.00 C ATOM 0 H LEU A 69 8.605 -2.110 0.496 1.00 0.00 H new ATOM 0 HA LEU A 69 7.343 -2.468 -2.000 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.239 -0.467 -0.588 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.818 -0.864 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 69 7.448 -0.130 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.597 2.121 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.123 1.713 -1.388 1.00 0.00 H new ATOM 0 HD13 LEU A 69 9.816 1.526 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.087 0.356 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.386 -0.234 -3.621 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.123 -1.352 -4.185 1.00 0.00 H new ATOM 673 N LYS A 70 10.540 -3.280 -2.041 1.00 0.00 N ATOM 674 CA LYS A 70 11.597 -4.046 -2.744 1.00 0.00 C ATOM 675 C LYS A 70 11.270 -5.545 -2.879 1.00 0.00 C ATOM 676 O LYS A 70 11.314 -6.075 -3.983 1.00 0.00 O ATOM 677 CB LYS A 70 12.941 -3.855 -2.032 1.00 0.00 C ATOM 678 CG LYS A 70 13.410 -2.397 -2.108 1.00 0.00 C ATOM 679 CD LYS A 70 14.665 -2.172 -1.264 1.00 0.00 C ATOM 680 CE LYS A 70 15.149 -0.715 -1.314 1.00 0.00 C ATOM 681 NZ LYS A 70 15.646 -0.375 -2.654 1.00 0.00 N ATOM 0 H LYS A 70 10.872 -2.819 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 70 11.655 -3.650 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.848 -4.155 -0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.690 -4.504 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.615 -2.132 -3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.614 -1.738 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.459 -2.449 -0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.460 -2.829 -1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.332 -0.046 -1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.940 -0.565 -0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.076 0.572 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 16.359 -1.073 -2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.855 -0.383 -3.330 1.00 0.00 H new ATOM 686 N THR A 71 10.837 -6.175 -1.785 1.00 0.00 N ATOM 687 CA THR A 71 10.426 -7.608 -1.741 1.00 0.00 C ATOM 688 C THR A 71 9.301 -7.921 -2.761 1.00 0.00 C ATOM 689 O THR A 71 9.348 -8.953 -3.422 1.00 0.00 O ATOM 690 CB THR A 71 10.199 -8.105 -0.327 1.00 0.00 C ATOM 691 OG1 THR A 71 9.365 -7.236 0.446 1.00 0.00 O ATOM 692 CG2 THR A 71 11.537 -8.340 0.380 1.00 0.00 C ATOM 0 H THR A 71 10.755 -5.709 -0.881 1.00 0.00 H new ATOM 0 HA THR A 71 11.266 -8.212 -2.085 1.00 0.00 H new ATOM 0 HB THR A 71 9.665 -9.052 -0.411 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.905 -6.609 -0.150 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.355 -8.697 1.394 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.113 -9.085 -0.169 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.097 -7.406 0.419 1.00 0.00 H new ATOM 695 N ILE A 72 8.401 -6.960 -2.961 1.00 0.00 N ATOM 696 CA ILE A 72 7.289 -7.051 -3.938 1.00 0.00 C ATOM 697 C ILE A 72 7.840 -6.829 -5.365 1.00 0.00 C ATOM 698 O ILE A 72 7.792 -7.732 -6.193 1.00 0.00 O ATOM 699 CB ILE A 72 6.193 -6.023 -3.552 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.624 -6.341 -2.160 1.00 0.00 C ATOM 701 CG2 ILE A 72 5.060 -5.966 -4.587 1.00 0.00 C ATOM 702 CD1 ILE A 72 5.012 -5.112 -1.486 1.00 0.00 C ATOM 0 H ILE A 72 8.414 -6.079 -2.447 1.00 0.00 H new ATOM 0 HA ILE A 72 6.833 -8.041 -3.920 1.00 0.00 H new ATOM 0 HB ILE A 72 6.667 -5.041 -3.532 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.865 -7.119 -2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.417 -6.741 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.317 -5.233 -4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.467 -5.678 -5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.591 -6.947 -4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.624 -5.390 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.775 -4.343 -1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.199 -4.726 -2.102 1.00 0.00 H new ATOM 704 N ARG A 73 8.530 -5.702 -5.534 1.00 0.00 N ATOM 705 CA ARG A 73 9.165 -5.233 -6.787 1.00 0.00 C ATOM 706 C ARG A 73 10.105 -6.273 -7.435 1.00 0.00 C ATOM 707 O ARG A 73 10.105 -6.426 -8.659 1.00 0.00 O ATOM 708 CB ARG A 73 9.867 -3.901 -6.556 1.00 0.00 C ATOM 709 CG ARG A 73 8.967 -2.753 -7.025 1.00 0.00 C ATOM 710 CD ARG A 73 7.658 -2.632 -6.245 1.00 0.00 C ATOM 711 NE ARG A 73 6.690 -1.878 -7.064 1.00 0.00 N ATOM 712 CZ ARG A 73 5.519 -2.327 -7.510 1.00 0.00 C ATOM 713 NH1 ARG A 73 5.072 -3.552 -7.270 1.00 0.00 N ATOM 714 NH2 ARG A 73 4.799 -1.551 -8.299 1.00 0.00 N ATOM 0 H ARG A 73 8.675 -5.048 -4.764 1.00 0.00 H new ATOM 0 HA ARG A 73 8.363 -5.088 -7.511 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.103 -3.782 -5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.813 -3.879 -7.098 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.517 -1.816 -6.940 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.737 -2.893 -8.081 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.265 -3.621 -6.010 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.829 -2.123 -5.296 1.00 0.00 H new ATOM 0 HE ARG A 73 6.942 -0.921 -7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.634 -4.201 -6.719 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.166 -3.845 -7.636 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.143 -0.626 -8.556 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.899 -1.877 -8.651 1.00 0.00 H new ATOM 721 N ALA A 74 10.884 -6.970 -6.620 1.00 0.00 N ATOM 722 CA ALA A 74 11.811 -8.025 -7.083 1.00 0.00 C ATOM 723 C ALA A 74 11.097 -9.322 -7.536 1.00 0.00 C ATOM 724 O ALA A 74 11.530 -9.983 -8.484 1.00 0.00 O ATOM 725 CB ALA A 74 12.798 -8.350 -5.960 1.00 0.00 C ATOM 0 H ALA A 74 10.900 -6.828 -5.610 1.00 0.00 H new ATOM 0 HA ALA A 74 12.326 -7.634 -7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.485 -9.127 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.362 -7.454 -5.701 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.251 -8.700 -5.085 1.00 0.00 H new ATOM 727 N ASP A 75 9.968 -9.615 -6.902 1.00 0.00 N ATOM 728 CA ASP A 75 9.175 -10.822 -7.194 1.00 0.00 C ATOM 729 C ASP A 75 8.171 -10.585 -8.341 1.00 0.00 C ATOM 730 O ASP A 75 7.026 -10.237 -8.091 1.00 0.00 O ATOM 731 CB ASP A 75 8.483 -11.264 -5.894 1.00 0.00 C ATOM 732 CG ASP A 75 7.573 -12.492 -6.057 1.00 0.00 C ATOM 733 OD1 ASP A 75 7.822 -13.286 -6.980 1.00 0.00 O ATOM 734 OD2 ASP A 75 6.615 -12.599 -5.257 1.00 0.00 O ATOM 0 H ASP A 75 9.569 -9.028 -6.169 1.00 0.00 H new ATOM 0 HA ASP A 75 9.830 -11.620 -7.543 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.244 -11.485 -5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 75 7.890 -10.434 -5.509 1.00 0.00 H new ATOM 736 N GLY A 76 8.612 -10.952 -9.547 1.00 0.00 N ATOM 737 CA GLY A 76 7.881 -10.867 -10.839 1.00 0.00 C ATOM 738 C GLY A 76 6.362 -10.607 -10.801 1.00 0.00 C ATOM 739 O GLY A 76 5.886 -9.543 -11.193 1.00 0.00 O ATOM 0 H GLY A 76 9.546 -11.343 -9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.340 -10.074 -11.430 1.00 0.00 H new ATOM 0 HA3 GLY A 76 8.046 -11.801 -11.377 1.00 0.00 H new ATOM 741 N ALA A 77 5.612 -11.622 -10.368 1.00 0.00 N ATOM 742 CA ALA A 77 4.132 -11.556 -10.259 1.00 0.00 C ATOM 743 C ALA A 77 3.631 -10.377 -9.406 1.00 0.00 C ATOM 744 O ALA A 77 2.798 -9.585 -9.841 1.00 0.00 O ATOM 745 CB ALA A 77 3.609 -12.881 -9.684 1.00 0.00 C ATOM 0 H ALA A 77 6.003 -12.519 -10.080 1.00 0.00 H new ATOM 0 HA ALA A 77 3.744 -11.390 -11.264 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.523 -12.838 -9.602 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.891 -13.701 -10.345 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.041 -13.045 -8.697 1.00 0.00 H new ATOM 747 N MET A 78 4.329 -10.156 -8.288 1.00 0.00 N ATOM 748 CA MET A 78 4.029 -9.073 -7.336 1.00 0.00 C ATOM 749 C MET A 78 4.452 -7.683 -7.844 1.00 0.00 C ATOM 750 O MET A 78 3.769 -6.701 -7.561 1.00 0.00 O ATOM 751 CB MET A 78 4.617 -9.351 -5.947 1.00 0.00 C ATOM 752 CG MET A 78 3.827 -10.446 -5.228 1.00 0.00 C ATOM 753 SD MET A 78 3.830 -10.265 -3.410 1.00 0.00 S ATOM 754 CE MET A 78 5.511 -10.648 -3.006 1.00 0.00 C ATOM 0 H MET A 78 5.127 -10.728 -8.012 1.00 0.00 H new ATOM 0 HA MET A 78 2.943 -9.056 -7.247 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.660 -9.653 -6.043 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.603 -8.437 -5.353 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.797 -10.436 -5.585 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.245 -11.418 -5.490 1.00 0.00 H new ATOM 0 HE1 MET A 78 5.888 -9.919 -2.289 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.562 -11.646 -2.570 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.119 -10.616 -3.910 1.00 0.00 H new ATOM 756 N SER A 79 5.509 -7.633 -8.648 1.00 0.00 N ATOM 757 CA SER A 79 6.009 -6.392 -9.301 1.00 0.00 C ATOM 758 C SER A 79 4.916 -5.663 -10.098 1.00 0.00 C ATOM 759 O SER A 79 5.016 -4.462 -10.357 1.00 0.00 O ATOM 760 CB SER A 79 7.142 -6.759 -10.263 1.00 0.00 C ATOM 761 OG SER A 79 8.036 -7.683 -9.630 1.00 0.00 O ATOM 0 H SER A 79 6.063 -8.458 -8.879 1.00 0.00 H new ATOM 0 HA SER A 79 6.352 -5.724 -8.511 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.732 -7.200 -11.171 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.683 -5.861 -10.561 1.00 0.00 H new ATOM 0 HG SER A 79 8.926 -7.280 -9.558 1.00 0.00 H new ATOM 764 N ALA A 80 3.954 -6.447 -10.600 1.00 0.00 N ATOM 765 CA ALA A 80 2.783 -5.950 -11.357 1.00 0.00 C ATOM 766 C ALA A 80 1.704 -5.322 -10.462 1.00 0.00 C ATOM 767 O ALA A 80 1.103 -4.313 -10.846 1.00 0.00 O ATOM 768 CB ALA A 80 2.183 -7.106 -12.162 1.00 0.00 C ATOM 0 H ALA A 80 3.961 -7.461 -10.494 1.00 0.00 H new ATOM 0 HA ALA A 80 3.135 -5.158 -12.017 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.319 -6.749 -12.723 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.930 -7.494 -12.854 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.871 -7.899 -11.483 1.00 0.00 H new ATOM 770 N LEU A 81 1.521 -5.860 -9.248 1.00 0.00 N ATOM 771 CA LEU A 81 0.518 -5.333 -8.315 1.00 0.00 C ATOM 772 C LEU A 81 1.052 -4.138 -7.496 1.00 0.00 C ATOM 773 O LEU A 81 2.090 -4.241 -6.844 1.00 0.00 O ATOM 774 CB LEU A 81 -0.193 -6.430 -7.508 1.00 0.00 C ATOM 775 CG LEU A 81 0.731 -7.340 -6.706 1.00 0.00 C ATOM 776 CD1 LEU A 81 0.797 -6.901 -5.247 1.00 0.00 C ATOM 777 CD2 LEU A 81 0.224 -8.778 -6.788 1.00 0.00 C ATOM 0 H LEU A 81 2.051 -6.655 -8.892 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.288 -4.907 -8.913 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.897 -5.958 -6.823 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.777 -7.044 -8.194 1.00 0.00 H new ATOM 0 HG LEU A 81 1.734 -7.276 -7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.462 -7.566 -4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.176 -5.881 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.200 -6.942 -4.809 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.884 -9.430 -6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.785 -8.832 -6.378 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.211 -9.100 -7.829 1.00 0.00 H new ATOM 779 N PRO A 82 0.378 -2.984 -7.628 1.00 0.00 N ATOM 780 CA PRO A 82 0.751 -1.704 -6.991 1.00 0.00 C ATOM 781 C PRO A 82 1.106 -1.647 -5.502 1.00 0.00 C ATOM 782 O PRO A 82 0.397 -2.170 -4.636 1.00 0.00 O ATOM 783 CB PRO A 82 -0.413 -0.757 -7.277 1.00 0.00 C ATOM 784 CG PRO A 82 -1.565 -1.681 -7.662 1.00 0.00 C ATOM 785 CD PRO A 82 -0.852 -2.805 -8.410 1.00 0.00 C ATOM 0 HA PRO A 82 1.716 -1.446 -7.427 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.661 -0.156 -6.402 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.173 -0.064 -8.083 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.098 -2.051 -6.786 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.297 -1.176 -8.291 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.450 -3.716 -8.438 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.639 -2.532 -9.443 1.00 0.00 H new ATOM 786 N VAL A 83 2.026 -0.726 -5.256 1.00 0.00 N ATOM 787 CA VAL A 83 2.582 -0.398 -3.923 1.00 0.00 C ATOM 788 C VAL A 83 2.356 1.089 -3.588 1.00 0.00 C ATOM 789 O VAL A 83 3.055 1.982 -4.079 1.00 0.00 O ATOM 790 CB VAL A 83 4.081 -0.758 -3.828 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.633 -0.504 -2.417 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.333 -2.230 -4.142 1.00 0.00 C ATOM 0 H VAL A 83 2.431 -0.156 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 83 2.051 -1.002 -3.188 1.00 0.00 H new ATOM 0 HB VAL A 83 4.582 -0.123 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.690 -0.768 -2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.515 0.550 -2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 83 4.086 -1.113 -1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.399 -2.441 -4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.787 -2.852 -3.433 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.993 -2.450 -5.154 1.00 0.00 H new ATOM 794 N LEU A 84 1.426 1.314 -2.667 1.00 0.00 N ATOM 795 CA LEU A 84 1.091 2.651 -2.148 1.00 0.00 C ATOM 796 C LEU A 84 1.771 2.812 -0.788 1.00 0.00 C ATOM 797 O LEU A 84 1.520 2.044 0.143 1.00 0.00 O ATOM 798 CB LEU A 84 -0.420 2.848 -2.007 1.00 0.00 C ATOM 799 CG LEU A 84 -0.824 4.217 -1.433 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.479 5.356 -2.398 1.00 0.00 C ATOM 801 CD2 LEU A 84 -2.321 4.251 -1.154 1.00 0.00 C ATOM 0 H LEU A 84 0.871 0.567 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 84 1.444 3.405 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.885 2.725 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.819 2.064 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.265 4.357 -0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.779 6.308 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.595 5.364 -2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.008 5.208 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.593 5.225 -0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.868 4.078 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.574 3.474 -0.433 1.00 0.00 H new ATOM 803 N MET A 85 2.756 3.689 -0.777 1.00 0.00 N ATOM 804 CA MET A 85 3.526 3.987 0.444 1.00 0.00 C ATOM 805 C MET A 85 2.808 4.985 1.349 1.00 0.00 C ATOM 806 O MET A 85 2.053 5.838 0.881 1.00 0.00 O ATOM 807 CB MET A 85 4.937 4.466 0.084 1.00 0.00 C ATOM 808 CG MET A 85 5.757 3.371 -0.617 1.00 0.00 C ATOM 809 SD MET A 85 5.849 1.769 0.281 1.00 0.00 S ATOM 810 CE MET A 85 6.587 2.280 1.815 1.00 0.00 C ATOM 0 H MET A 85 3.053 4.217 -1.598 1.00 0.00 H new ATOM 0 HA MET A 85 3.614 3.062 1.014 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.869 5.339 -0.565 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.454 4.782 0.990 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.328 3.193 -1.603 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.770 3.741 -0.772 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.258 1.617 2.616 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.673 2.235 1.729 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.283 3.302 2.042 1.00 0.00 H new ATOM 812 N VAL A 86 2.785 4.649 2.631 1.00 0.00 N ATOM 813 CA VAL A 86 2.178 5.537 3.637 1.00 0.00 C ATOM 814 C VAL A 86 3.326 6.032 4.511 1.00 0.00 C ATOM 815 O VAL A 86 3.891 5.311 5.329 1.00 0.00 O ATOM 816 CB VAL A 86 1.094 4.915 4.522 1.00 0.00 C ATOM 817 CG1 VAL A 86 0.315 6.044 5.186 1.00 0.00 C ATOM 818 CG2 VAL A 86 0.099 4.055 3.740 1.00 0.00 C ATOM 0 H VAL A 86 3.171 3.782 3.005 1.00 0.00 H new ATOM 0 HA VAL A 86 1.652 6.325 3.098 1.00 0.00 H new ATOM 0 HB VAL A 86 1.595 4.269 5.243 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.464 5.624 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.992 6.646 5.791 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.141 6.671 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.643 3.644 4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.400 4.668 2.989 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.630 3.240 3.248 1.00 0.00 H new ATOM 820 N THR A 87 3.619 7.313 4.343 1.00 0.00 N ATOM 821 CA THR A 87 4.738 7.951 5.051 1.00 0.00 C ATOM 822 C THR A 87 4.205 8.814 6.205 1.00 0.00 C ATOM 823 O THR A 87 3.208 9.514 6.058 1.00 0.00 O ATOM 824 CB THR A 87 5.626 8.783 4.099 1.00 0.00 C ATOM 825 OG1 THR A 87 5.027 10.055 3.843 1.00 0.00 O ATOM 826 CG2 THR A 87 5.868 8.104 2.751 1.00 0.00 C ATOM 0 H THR A 87 3.102 7.938 3.724 1.00 0.00 H new ATOM 0 HA THR A 87 5.369 7.163 5.461 1.00 0.00 H new ATOM 0 HB THR A 87 6.584 8.889 4.609 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.601 10.572 3.240 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.498 8.741 2.131 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.364 7.147 2.910 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.914 7.940 2.250 1.00 0.00 H new ATOM 829 N ALA A 88 4.840 8.680 7.368 1.00 0.00 N ATOM 830 CA ALA A 88 4.474 9.465 8.569 1.00 0.00 C ATOM 831 C ALA A 88 4.528 10.995 8.355 1.00 0.00 C ATOM 832 O ALA A 88 3.932 11.769 9.102 1.00 0.00 O ATOM 833 CB ALA A 88 5.349 9.023 9.741 1.00 0.00 C ATOM 0 H ALA A 88 5.616 8.034 7.515 1.00 0.00 H new ATOM 0 HA ALA A 88 3.428 9.257 8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.085 9.597 10.629 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.190 7.962 9.934 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.397 9.194 9.497 1.00 0.00 H new ATOM 835 N GLU A 89 5.335 11.384 7.382 1.00 0.00 N ATOM 836 CA GLU A 89 5.549 12.774 6.913 1.00 0.00 C ATOM 837 C GLU A 89 6.260 12.700 5.555 1.00 0.00 C ATOM 838 O GLU A 89 7.253 11.992 5.405 1.00 0.00 O ATOM 839 CB GLU A 89 6.377 13.592 7.922 1.00 0.00 C ATOM 840 CG GLU A 89 6.524 15.073 7.533 1.00 0.00 C ATOM 841 CD GLU A 89 5.170 15.791 7.357 1.00 0.00 C ATOM 842 OE1 GLU A 89 4.682 16.324 8.382 1.00 0.00 O ATOM 843 OE2 GLU A 89 4.675 15.799 6.207 1.00 0.00 O ATOM 0 H GLU A 89 5.897 10.713 6.859 1.00 0.00 H new ATOM 0 HA GLU A 89 4.590 13.283 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 89 5.908 13.527 8.904 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.368 13.148 8.012 1.00 0.00 H new ATOM 0 HG2 GLU A 89 7.104 15.588 8.299 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.089 15.144 6.604 1.00 0.00 H new ATOM 845 N ALA A 90 5.719 13.433 4.588 1.00 0.00 N ATOM 846 CA ALA A 90 6.288 13.484 3.226 1.00 0.00 C ATOM 847 C ALA A 90 7.485 14.436 3.164 1.00 0.00 C ATOM 848 O ALA A 90 7.362 15.654 3.236 1.00 0.00 O ATOM 849 CB ALA A 90 5.213 13.894 2.208 1.00 0.00 C ATOM 0 H ALA A 90 4.884 14.006 4.713 1.00 0.00 H new ATOM 0 HA ALA A 90 6.642 12.485 2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.650 13.926 1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.400 13.168 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.825 14.879 2.466 1.00 0.00 H new ATOM 851 N LYS A 91 8.659 13.814 3.248 1.00 0.00 N ATOM 852 CA LYS A 91 9.951 14.529 3.186 1.00 0.00 C ATOM 853 C LYS A 91 10.786 13.986 2.029 1.00 0.00 C ATOM 854 O LYS A 91 10.794 12.787 1.774 1.00 0.00 O ATOM 855 CB LYS A 91 10.710 14.454 4.520 1.00 0.00 C ATOM 856 CG LYS A 91 11.083 13.038 4.976 1.00 0.00 C ATOM 857 CD LYS A 91 12.015 13.092 6.187 1.00 0.00 C ATOM 858 CE LYS A 91 12.465 11.685 6.595 1.00 0.00 C ATOM 859 NZ LYS A 91 13.425 11.797 7.693 1.00 0.00 N ATOM 0 H LYS A 91 8.752 12.804 3.361 1.00 0.00 H new ATOM 0 HA LYS A 91 9.753 15.585 3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.623 15.044 4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.100 14.920 5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.180 12.482 5.229 1.00 0.00 H new ATOM 0 HG3 LYS A 91 11.569 12.503 4.160 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.887 13.703 5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.505 13.571 7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.606 11.089 6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.920 11.173 5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.738 10.847 7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.247 12.353 7.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.974 12.271 8.502 1.00 0.00 H new ATOM 864 N LYS A 92 11.531 14.891 1.396 1.00 0.00 N ATOM 865 CA LYS A 92 12.411 14.601 0.232 1.00 0.00 C ATOM 866 C LYS A 92 13.088 13.215 0.283 1.00 0.00 C ATOM 867 O LYS A 92 12.826 12.391 -0.587 1.00 0.00 O ATOM 868 CB LYS A 92 13.479 15.688 0.097 1.00 0.00 C ATOM 869 CG LYS A 92 12.873 17.052 -0.249 1.00 0.00 C ATOM 870 CD LYS A 92 13.985 18.101 -0.404 1.00 0.00 C ATOM 871 CE LYS A 92 13.432 19.483 -0.742 1.00 0.00 C ATOM 872 NZ LYS A 92 12.727 20.067 0.407 1.00 0.00 N ATOM 0 H LYS A 92 11.550 15.872 1.673 1.00 0.00 H new ATOM 0 HA LYS A 92 11.757 14.592 -0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.036 15.766 1.030 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.191 15.402 -0.677 1.00 0.00 H new ATOM 0 HG2 LYS A 92 12.299 16.980 -1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 92 12.179 17.359 0.534 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.560 18.158 0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.673 17.785 -1.188 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.247 20.140 -1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.752 19.408 -1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.450 21.044 0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.877 19.505 0.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.354 20.066 1.237 1.00 0.00 H new ATOM 877 N GLU A 93 13.714 12.922 1.419 1.00 0.00 N ATOM 878 CA GLU A 93 14.413 11.646 1.686 1.00 0.00 C ATOM 879 C GLU A 93 13.541 10.412 1.377 1.00 0.00 C ATOM 880 O GLU A 93 13.833 9.698 0.411 1.00 0.00 O ATOM 881 CB GLU A 93 14.934 11.556 3.132 1.00 0.00 C ATOM 882 CG GLU A 93 15.948 12.650 3.507 1.00 0.00 C ATOM 883 CD GLU A 93 15.286 13.820 4.244 1.00 0.00 C ATOM 884 OE1 GLU A 93 14.547 14.577 3.574 1.00 0.00 O ATOM 885 OE2 GLU A 93 15.481 13.902 5.473 1.00 0.00 O ATOM 0 H GLU A 93 13.757 13.572 2.204 1.00 0.00 H new ATOM 0 HA GLU A 93 15.265 11.641 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.087 11.612 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 93 15.398 10.581 3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.728 12.221 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 93 16.434 13.019 2.604 1.00 0.00 H new ATOM 887 N ASN A 94 12.386 10.319 2.030 1.00 0.00 N ATOM 888 CA ASN A 94 11.470 9.185 1.820 1.00 0.00 C ATOM 889 C ASN A 94 10.805 9.170 0.435 1.00 0.00 C ATOM 890 O ASN A 94 10.822 8.143 -0.235 1.00 0.00 O ATOM 891 CB ASN A 94 10.461 8.965 2.963 1.00 0.00 C ATOM 892 CG ASN A 94 9.520 10.110 3.355 1.00 0.00 C ATOM 893 OD1 ASN A 94 9.018 10.897 2.563 1.00 0.00 O ATOM 894 ND2 ASN A 94 9.226 10.177 4.626 1.00 0.00 N ATOM 0 H ASN A 94 12.057 11.007 2.707 1.00 0.00 H new ATOM 0 HA ASN A 94 12.126 8.315 1.844 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.843 8.108 2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 94 11.027 8.685 3.852 1.00 0.00 H new ATOM 0 HD21 ASN A 94 8.576 10.887 4.962 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.647 9.519 5.282 1.00 0.00 H new ATOM 898 N ILE A 95 10.417 10.350 -0.045 1.00 0.00 N ATOM 899 CA ILE A 95 9.792 10.528 -1.370 1.00 0.00 C ATOM 900 C ILE A 95 10.691 9.985 -2.506 1.00 0.00 C ATOM 901 O ILE A 95 10.296 9.061 -3.216 1.00 0.00 O ATOM 902 CB ILE A 95 9.436 12.030 -1.550 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.374 12.451 -0.529 1.00 0.00 C ATOM 904 CG2 ILE A 95 9.015 12.375 -2.985 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.182 13.975 -0.412 1.00 0.00 C ATOM 0 H ILE A 95 10.525 11.222 0.473 1.00 0.00 H new ATOM 0 HA ILE A 95 8.874 9.942 -1.426 1.00 0.00 H new ATOM 0 HB ILE A 95 10.343 12.604 -1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.422 11.996 -0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.648 12.054 0.449 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.779 13.437 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.831 12.143 -3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.136 11.790 -3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.414 14.189 0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.121 14.438 -0.107 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.876 14.378 -1.377 1.00 0.00 H new ATOM 907 N ILE A 96 11.923 10.487 -2.553 1.00 0.00 N ATOM 908 CA ILE A 96 12.931 10.100 -3.567 1.00 0.00 C ATOM 909 C ILE A 96 13.220 8.582 -3.515 1.00 0.00 C ATOM 910 O ILE A 96 12.945 7.877 -4.484 1.00 0.00 O ATOM 911 CB ILE A 96 14.192 10.988 -3.435 1.00 0.00 C ATOM 912 CG1 ILE A 96 13.811 12.465 -3.657 1.00 0.00 C ATOM 913 CG2 ILE A 96 15.280 10.583 -4.435 1.00 0.00 C ATOM 914 CD1 ILE A 96 14.835 13.471 -3.117 1.00 0.00 C ATOM 0 H ILE A 96 12.264 11.181 -1.887 1.00 0.00 H new ATOM 0 HA ILE A 96 12.532 10.282 -4.565 1.00 0.00 H new ATOM 0 HB ILE A 96 14.593 10.851 -2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 96 13.679 12.637 -4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 96 12.848 12.655 -3.182 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.148 11.230 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 96 15.571 9.548 -4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 96 14.896 10.683 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 96 14.488 14.485 -3.315 1.00 0.00 H new ATOM 0 HD12 ILE A 96 14.951 13.331 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 96 15.795 13.313 -3.609 1.00 0.00 H new ATOM 916 N ALA A 97 13.516 8.102 -2.311 1.00 0.00 N ATOM 917 CA ALA A 97 13.806 6.670 -2.051 1.00 0.00 C ATOM 918 C ALA A 97 12.696 5.727 -2.540 1.00 0.00 C ATOM 919 O ALA A 97 12.958 4.784 -3.292 1.00 0.00 O ATOM 920 CB ALA A 97 14.044 6.474 -0.547 1.00 0.00 C ATOM 0 H ALA A 97 13.565 8.686 -1.476 1.00 0.00 H new ATOM 0 HA ALA A 97 14.698 6.409 -2.620 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.258 5.424 -0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.890 7.084 -0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.153 6.775 0.005 1.00 0.00 H new ATOM 922 N ALA A 98 11.445 6.093 -2.248 1.00 0.00 N ATOM 923 CA ALA A 98 10.244 5.339 -2.634 1.00 0.00 C ATOM 924 C ALA A 98 10.087 5.196 -4.161 1.00 0.00 C ATOM 925 O ALA A 98 10.041 4.084 -4.680 1.00 0.00 O ATOM 926 CB ALA A 98 9.014 6.017 -2.026 1.00 0.00 C ATOM 0 H ALA A 98 11.232 6.942 -1.724 1.00 0.00 H new ATOM 0 HA ALA A 98 10.348 4.326 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.118 5.464 -2.307 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.106 6.031 -0.940 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.941 7.039 -2.397 1.00 0.00 H new ATOM 928 N ALA A 99 10.148 6.338 -4.859 1.00 0.00 N ATOM 929 CA ALA A 99 10.044 6.406 -6.330 1.00 0.00 C ATOM 930 C ALA A 99 11.136 5.564 -7.018 1.00 0.00 C ATOM 931 O ALA A 99 10.814 4.618 -7.737 1.00 0.00 O ATOM 932 CB ALA A 99 10.123 7.865 -6.774 1.00 0.00 C ATOM 0 H ALA A 99 10.272 7.250 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 99 9.084 5.986 -6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.047 7.919 -7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.305 8.427 -6.324 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.074 8.291 -6.455 1.00 0.00 H new ATOM 934 N GLN A 100 12.376 5.737 -6.552 1.00 0.00 N ATOM 935 CA GLN A 100 13.563 5.025 -7.072 1.00 0.00 C ATOM 936 C GLN A 100 13.467 3.487 -6.977 1.00 0.00 C ATOM 937 O GLN A 100 13.930 2.778 -7.877 1.00 0.00 O ATOM 938 CB GLN A 100 14.817 5.463 -6.315 1.00 0.00 C ATOM 939 CG GLN A 100 15.225 6.912 -6.612 1.00 0.00 C ATOM 940 CD GLN A 100 16.503 7.268 -5.844 1.00 0.00 C ATOM 941 OE1 GLN A 100 16.490 7.683 -4.697 1.00 0.00 O ATOM 942 NE2 GLN A 100 17.646 7.053 -6.463 1.00 0.00 N ATOM 0 H GLN A 100 12.594 6.382 -5.793 1.00 0.00 H new ATOM 0 HA GLN A 100 13.615 5.290 -8.128 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.645 5.353 -5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.641 4.799 -6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 100 15.387 7.040 -7.682 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.420 7.590 -6.328 1.00 0.00 H new ATOM 0 HE21 GLN A 100 17.649 6.706 -7.422 1.00 0.00 H new ATOM 0 HE22 GLN A 100 18.528 7.234 -5.983 1.00 0.00 H new ATOM 946 N ALA A 101 12.853 3.014 -5.896 1.00 0.00 N ATOM 947 CA ALA A 101 12.674 1.572 -5.610 1.00 0.00 C ATOM 948 C ALA A 101 11.500 0.857 -6.311 1.00 0.00 C ATOM 949 O ALA A 101 11.464 -0.374 -6.298 1.00 0.00 O ATOM 950 CB ALA A 101 12.581 1.404 -4.083 1.00 0.00 C ATOM 0 H ALA A 101 12.456 3.620 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 101 13.544 1.074 -6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.448 0.350 -3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.497 1.770 -3.620 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.731 1.973 -3.705 1.00 0.00 H new ATOM 952 N GLY A 102 10.574 1.615 -6.894 1.00 0.00 N ATOM 953 CA GLY A 102 9.402 1.034 -7.593 1.00 0.00 C ATOM 954 C GLY A 102 8.013 1.406 -7.051 1.00 0.00 C ATOM 955 O GLY A 102 7.013 0.922 -7.592 1.00 0.00 O ATOM 0 H GLY A 102 10.602 2.635 -6.903 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.449 1.334 -8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.496 -0.052 -7.568 1.00 0.00 H new ATOM 957 N ALA A 103 7.930 2.271 -6.037 1.00 0.00 N ATOM 958 CA ALA A 103 6.645 2.693 -5.435 1.00 0.00 C ATOM 959 C ALA A 103 5.685 3.333 -6.461 1.00 0.00 C ATOM 960 O ALA A 103 5.998 4.350 -7.087 1.00 0.00 O ATOM 961 CB ALA A 103 6.854 3.670 -4.286 1.00 0.00 C ATOM 0 H ALA A 103 8.746 2.703 -5.604 1.00 0.00 H new ATOM 0 HA ALA A 103 6.189 1.777 -5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.887 3.956 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.456 3.196 -3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.368 4.558 -4.653 1.00 0.00 H new ATOM 963 N SER A 104 4.494 2.753 -6.502 1.00 0.00 N ATOM 964 CA SER A 104 3.407 3.199 -7.406 1.00 0.00 C ATOM 965 C SER A 104 2.886 4.613 -7.077 1.00 0.00 C ATOM 966 O SER A 104 2.336 5.294 -7.946 1.00 0.00 O ATOM 967 CB SER A 104 2.227 2.224 -7.329 1.00 0.00 C ATOM 968 OG SER A 104 2.708 0.888 -7.527 1.00 0.00 O ATOM 0 H SER A 104 4.239 1.959 -5.915 1.00 0.00 H new ATOM 0 HA SER A 104 3.836 3.222 -8.408 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.734 2.306 -6.360 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.484 2.472 -8.087 1.00 0.00 H new ATOM 0 HG SER A 104 2.272 0.497 -8.313 1.00 0.00 H new ATOM 971 N GLY A 105 2.930 4.946 -5.791 1.00 0.00 N ATOM 972 CA GLY A 105 2.510 6.248 -5.239 1.00 0.00 C ATOM 973 C GLY A 105 2.708 6.271 -3.719 1.00 0.00 C ATOM 974 O GLY A 105 3.099 5.266 -3.118 1.00 0.00 O ATOM 0 H GLY A 105 3.268 4.304 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 105 3.088 7.049 -5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.463 6.431 -5.479 1.00 0.00 H new ATOM 976 N TYR A 106 2.459 7.437 -3.123 1.00 0.00 N ATOM 977 CA TYR A 106 2.575 7.603 -1.660 1.00 0.00 C ATOM 978 C TYR A 106 1.543 8.590 -1.078 1.00 0.00 C ATOM 979 O TYR A 106 1.259 9.623 -1.674 1.00 0.00 O ATOM 980 CB TYR A 106 3.998 7.977 -1.213 1.00 0.00 C ATOM 981 CG TYR A 106 4.472 9.378 -1.629 1.00 0.00 C ATOM 982 CD1 TYR A 106 4.216 10.474 -0.768 1.00 0.00 C ATOM 983 CD2 TYR A 106 5.122 9.533 -2.872 1.00 0.00 C ATOM 984 CE1 TYR A 106 4.614 11.761 -1.175 1.00 0.00 C ATOM 985 CE2 TYR A 106 5.517 10.819 -3.271 1.00 0.00 C ATOM 986 CZ TYR A 106 5.264 11.916 -2.418 1.00 0.00 C ATOM 987 OH TYR A 106 5.636 13.157 -2.818 1.00 0.00 O ATOM 0 H TYR A 106 2.177 8.281 -3.621 1.00 0.00 H new ATOM 0 HA TYR A 106 2.348 6.619 -1.249 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.051 7.901 -0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.693 7.242 -1.618 1.00 0.00 H new ATOM 0 HD1 TYR A 106 3.725 10.324 0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.312 8.678 -3.504 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.425 12.618 -0.545 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.009 10.968 -4.221 1.00 0.00 H new ATOM 0 HH TYR A 106 6.073 13.101 -3.694 1.00 0.00 H new ATOM 990 N VAL A 107 1.023 8.201 0.081 1.00 0.00 N ATOM 991 CA VAL A 107 0.056 8.997 0.858 1.00 0.00 C ATOM 992 C VAL A 107 0.620 9.344 2.238 1.00 0.00 C ATOM 993 O VAL A 107 1.353 8.568 2.853 1.00 0.00 O ATOM 994 CB VAL A 107 -1.327 8.311 0.841 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.510 7.219 1.904 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.429 9.362 0.995 1.00 0.00 C ATOM 0 H VAL A 107 1.260 7.312 0.521 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.109 9.968 0.392 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.395 7.808 -0.124 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.509 6.792 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -0.767 6.436 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.384 7.652 2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.403 8.873 0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.300 9.889 1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.370 10.074 0.172 1.00 0.00 H new ATOM 998 N VAL A 108 0.513 10.624 2.542 1.00 0.00 N ATOM 999 CA VAL A 108 0.981 11.197 3.825 1.00 0.00 C ATOM 1000 C VAL A 108 -0.007 10.835 4.953 1.00 0.00 C ATOM 1001 O VAL A 108 -1.217 10.937 4.793 1.00 0.00 O ATOM 1002 CB VAL A 108 1.117 12.734 3.754 1.00 0.00 C ATOM 1003 CG1 VAL A 108 1.991 13.236 4.910 1.00 0.00 C ATOM 1004 CG2 VAL A 108 1.729 13.239 2.444 1.00 0.00 C ATOM 0 H VAL A 108 0.099 11.313 1.914 1.00 0.00 H new ATOM 0 HA VAL A 108 1.964 10.774 4.030 1.00 0.00 H new ATOM 0 HB VAL A 108 0.101 13.124 3.818 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.082 14.321 4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.532 12.960 5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.981 12.785 4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 108 1.793 14.327 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.728 12.820 2.324 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.103 12.930 1.607 1.00 0.00 H new ATOM 1006 N LYS A 109 0.568 10.330 6.034 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.149 9.939 7.267 1.00 0.00 C ATOM 1008 C LYS A 109 -0.138 11.174 8.195 1.00 0.00 C ATOM 1009 O LYS A 109 0.954 11.704 8.453 1.00 0.00 O ATOM 1010 CB LYS A 109 0.630 8.769 7.874 1.00 0.00 C ATOM 1011 CG LYS A 109 0.018 8.152 9.133 1.00 0.00 C ATOM 1012 CD LYS A 109 1.011 7.325 9.974 1.00 0.00 C ATOM 1013 CE LYS A 109 1.583 6.068 9.306 1.00 0.00 C ATOM 1014 NZ LYS A 109 2.738 6.387 8.461 1.00 0.00 N ATOM 0 H LYS A 109 1.574 10.171 6.093 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.181 9.630 7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 109 0.727 7.989 7.119 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.638 9.110 8.111 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.391 8.949 9.753 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.816 7.513 8.843 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.842 7.971 10.256 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.513 7.026 10.896 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.878 5.350 10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.810 5.591 8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 3.290 5.523 8.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.408 6.776 7.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 3.336 7.089 8.942 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.302 11.669 8.630 1.00 0.00 N ATOM 1020 CA PRO A 110 -2.659 11.155 8.309 1.00 0.00 C ATOM 1021 C PRO A 110 -3.210 11.624 6.948 1.00 0.00 C ATOM 1022 O PRO A 110 -2.877 12.695 6.438 1.00 0.00 O ATOM 1023 CB PRO A 110 -3.527 11.657 9.462 1.00 0.00 C ATOM 1024 CG PRO A 110 -2.883 12.982 9.842 1.00 0.00 C ATOM 1025 CD PRO A 110 -1.383 12.720 9.661 1.00 0.00 C ATOM 0 HA PRO A 110 -2.645 10.069 8.212 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.565 11.789 9.155 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.528 10.957 10.298 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.228 13.794 9.202 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.120 13.263 10.868 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.860 13.623 9.346 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.924 12.394 10.594 1.00 0.00 H new ATOM 1026 N PHE A 111 -4.134 10.808 6.456 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.845 10.974 5.166 1.00 0.00 C ATOM 1028 C PHE A 111 -6.326 10.572 5.341 1.00 0.00 C ATOM 1029 O PHE A 111 -6.675 9.832 6.253 1.00 0.00 O ATOM 1030 CB PHE A 111 -4.173 10.171 4.051 1.00 0.00 C ATOM 1031 CG PHE A 111 -4.066 8.665 4.319 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -3.085 8.192 5.218 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -4.950 7.792 3.657 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.016 6.816 5.495 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -4.851 6.409 3.901 1.00 0.00 C ATOM 1036 CZ PHE A 111 -3.895 5.929 4.833 1.00 0.00 C ATOM 0 H PHE A 111 -4.431 9.971 6.957 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.798 12.022 4.869 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.730 10.323 3.127 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.171 10.569 3.889 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.396 8.879 5.687 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.692 8.177 2.973 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.297 6.439 6.208 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.499 5.718 3.382 1.00 0.00 H new ATOM 0 HZ PHE A 111 -3.838 4.870 5.040 1.00 0.00 H new ATOM 1038 N THR A 112 -7.146 10.984 4.373 1.00 0.00 N ATOM 1039 CA THR A 112 -8.604 10.727 4.367 1.00 0.00 C ATOM 1040 C THR A 112 -8.996 9.765 3.234 1.00 0.00 C ATOM 1041 O THR A 112 -8.184 9.474 2.354 1.00 0.00 O ATOM 1042 CB THR A 112 -9.416 12.021 4.160 1.00 0.00 C ATOM 1043 OG1 THR A 112 -9.259 12.489 2.816 1.00 0.00 O ATOM 1044 CG2 THR A 112 -9.103 13.111 5.194 1.00 0.00 C ATOM 0 H THR A 112 -6.824 11.510 3.561 1.00 0.00 H new ATOM 0 HA THR A 112 -8.832 10.293 5.340 1.00 0.00 H new ATOM 0 HB THR A 112 -10.465 11.774 4.323 1.00 0.00 H new ATOM 0 HG1 THR A 112 -8.309 12.647 2.634 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.710 13.993 4.988 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.329 12.740 6.194 1.00 0.00 H new ATOM 0 HG23 THR A 112 -8.047 13.375 5.136 1.00 0.00 H new ATOM 1047 N ALA A 113 -10.275 9.395 3.202 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.842 8.534 2.137 1.00 0.00 C ATOM 1049 C ALA A 113 -10.614 9.150 0.744 1.00 0.00 C ATOM 1050 O ALA A 113 -10.033 8.502 -0.124 1.00 0.00 O ATOM 1051 CB ALA A 113 -12.338 8.322 2.397 1.00 0.00 C ATOM 0 H ALA A 113 -10.956 9.677 3.907 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.333 7.570 2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.757 7.689 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.474 7.841 3.365 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -12.848 9.286 2.396 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.848 10.462 0.640 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.647 11.237 -0.601 1.00 0.00 C ATOM 1055 C ALA A 114 -9.165 11.232 -1.020 1.00 0.00 C ATOM 1056 O ALA A 114 -8.829 10.775 -2.109 1.00 0.00 O ATOM 1057 CB ALA A 114 -11.150 12.662 -0.403 1.00 0.00 C ATOM 0 H ALA A 114 -11.186 11.027 1.419 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.217 10.769 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -11.000 13.231 -1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -12.212 12.642 -0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.598 13.133 0.410 1.00 0.00 H new ATOM 1059 N THR A 115 -8.289 11.530 -0.060 1.00 0.00 N ATOM 1060 CA THR A 115 -6.820 11.548 -0.260 1.00 0.00 C ATOM 1061 C THR A 115 -6.328 10.179 -0.773 1.00 0.00 C ATOM 1062 O THR A 115 -5.658 10.114 -1.796 1.00 0.00 O ATOM 1063 CB THR A 115 -6.078 11.883 1.050 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.800 12.862 1.805 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.679 12.434 0.746 1.00 0.00 C ATOM 0 H THR A 115 -8.571 11.769 0.891 1.00 0.00 H new ATOM 0 HA THR A 115 -6.604 12.321 -0.998 1.00 0.00 H new ATOM 0 HB THR A 115 -5.996 10.963 1.629 1.00 0.00 H new ATOM 0 HG1 THR A 115 -6.244 13.177 2.548 1.00 0.00 H new ATOM 0 HG21 THR A 115 -4.168 12.666 1.681 1.00 0.00 H new ATOM 0 HG22 THR A 115 -4.106 11.688 0.194 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.767 13.340 0.147 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.823 9.119 -0.124 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.517 7.708 -0.470 1.00 0.00 C ATOM 1070 C LEU A 116 -6.969 7.441 -1.933 1.00 0.00 C ATOM 1071 O LEU A 116 -6.128 7.138 -2.773 1.00 0.00 O ATOM 1072 CB LEU A 116 -7.268 6.764 0.486 1.00 0.00 C ATOM 1073 CG LEU A 116 -6.471 5.507 0.859 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -7.280 4.701 1.871 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -6.085 4.617 -0.323 1.00 0.00 C ATOM 0 H LEU A 116 -7.458 9.208 0.669 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.446 7.528 -0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.520 7.308 1.396 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.208 6.464 0.023 1.00 0.00 H new ATOM 0 HG LEU A 116 -5.526 5.852 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -6.727 3.803 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -7.457 5.306 2.760 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -8.235 4.417 1.430 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -5.525 3.755 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -6.987 4.277 -0.832 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -5.468 5.184 -1.019 1.00 0.00 H new ATOM 1077 N GLU A 117 -8.227 7.748 -2.239 1.00 0.00 N ATOM 1078 CA GLU A 117 -8.815 7.551 -3.583 1.00 0.00 C ATOM 1079 C GLU A 117 -8.062 8.284 -4.703 1.00 0.00 C ATOM 1080 O GLU A 117 -7.867 7.722 -5.782 1.00 0.00 O ATOM 1081 CB GLU A 117 -10.304 7.915 -3.621 1.00 0.00 C ATOM 1082 CG GLU A 117 -10.986 7.230 -4.815 1.00 0.00 C ATOM 1083 CD GLU A 117 -12.478 7.530 -5.007 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -13.062 8.229 -4.157 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -12.998 7.035 -6.037 1.00 0.00 O ATOM 0 H GLU A 117 -8.881 8.144 -1.564 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.710 6.484 -3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.785 7.608 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.420 8.996 -3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.459 7.521 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -10.865 6.152 -4.707 1.00 0.00 H new ATOM 1087 N GLU A 118 -7.654 9.530 -4.426 1.00 0.00 N ATOM 1088 CA GLU A 118 -6.879 10.348 -5.373 1.00 0.00 C ATOM 1089 C GLU A 118 -5.634 9.595 -5.888 1.00 0.00 C ATOM 1090 O GLU A 118 -5.518 9.347 -7.083 1.00 0.00 O ATOM 1091 CB GLU A 118 -6.476 11.696 -4.752 1.00 0.00 C ATOM 1092 CG GLU A 118 -7.481 12.814 -5.026 1.00 0.00 C ATOM 1093 CD GLU A 118 -8.755 12.754 -4.176 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -9.711 12.064 -4.604 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -8.752 13.418 -3.108 1.00 0.00 O ATOM 0 H GLU A 118 -7.850 10.000 -3.542 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.527 10.548 -6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -6.365 11.573 -3.675 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.501 11.990 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -6.992 13.773 -4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -7.761 12.782 -6.079 1.00 0.00 H new ATOM 1097 N LYS A 119 -4.896 9.022 -4.939 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.681 8.228 -5.214 1.00 0.00 C ATOM 1099 C LYS A 119 -4.021 6.963 -6.029 1.00 0.00 C ATOM 1100 O LYS A 119 -3.519 6.782 -7.137 1.00 0.00 O ATOM 1101 CB LYS A 119 -2.973 7.801 -3.915 1.00 0.00 C ATOM 1102 CG LYS A 119 -2.688 8.941 -2.939 1.00 0.00 C ATOM 1103 CD LYS A 119 -1.761 10.025 -3.499 1.00 0.00 C ATOM 1104 CE LYS A 119 -1.651 11.218 -2.542 1.00 0.00 C ATOM 1105 NZ LYS A 119 -2.948 11.908 -2.429 1.00 0.00 N ATOM 0 H LYS A 119 -5.119 9.091 -3.946 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.013 8.869 -5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.587 7.054 -3.411 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -2.031 7.317 -4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.632 9.400 -2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.242 8.528 -2.034 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.771 9.604 -3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -2.137 10.364 -4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -1.328 10.875 -1.559 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.893 11.913 -2.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -2.808 12.842 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.362 12.026 -3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -3.591 11.344 -1.838 1.00 0.00 H new ATOM 1110 N LEU A 120 -5.046 6.239 -5.555 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.557 4.997 -6.170 1.00 0.00 C ATOM 1112 C LEU A 120 -5.831 5.121 -7.682 1.00 0.00 C ATOM 1113 O LEU A 120 -5.277 4.354 -8.473 1.00 0.00 O ATOM 1114 CB LEU A 120 -6.855 4.547 -5.487 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.683 4.121 -4.024 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -8.043 3.880 -3.386 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -5.830 2.869 -3.884 1.00 0.00 C ATOM 0 H LEU A 120 -5.557 6.504 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.764 4.262 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.578 5.362 -5.533 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -7.277 3.714 -6.049 1.00 0.00 H new ATOM 0 HG LEU A 120 -6.168 4.934 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.909 3.578 -2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.631 4.797 -3.424 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.565 3.092 -3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.738 2.608 -2.830 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.301 2.046 -4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.840 3.055 -4.300 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.515 6.192 -8.066 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.894 6.463 -9.462 1.00 0.00 C ATOM 1121 C ASN A 121 -5.695 6.683 -10.406 1.00 0.00 C ATOM 1122 O ASN A 121 -5.559 5.984 -11.411 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.900 7.608 -9.512 1.00 0.00 C ATOM 1124 CG ASN A 121 -9.300 7.033 -9.294 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -10.158 6.989 -10.164 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -9.571 6.562 -8.092 1.00 0.00 N ATOM 0 H ASN A 121 -6.830 6.911 -7.414 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.371 5.562 -9.848 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -7.671 8.348 -8.745 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -7.846 8.118 -10.474 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.490 6.165 -7.895 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -8.862 6.594 -7.360 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.789 7.551 -9.959 1.00 0.00 N ATOM 1131 CA LYS A 122 -3.519 7.859 -10.652 1.00 0.00 C ATOM 1132 C LYS A 122 -2.731 6.554 -10.927 1.00 0.00 C ATOM 1133 O LYS A 122 -2.440 6.222 -12.073 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.716 8.792 -9.747 1.00 0.00 C ATOM 1135 CG LYS A 122 -1.353 9.199 -10.328 1.00 0.00 C ATOM 1136 CD LYS A 122 -0.435 9.839 -9.273 1.00 0.00 C ATOM 1137 CE LYS A 122 0.010 8.870 -8.167 1.00 0.00 C ATOM 1138 NZ LYS A 122 0.826 7.777 -8.722 1.00 0.00 N ATOM 0 H LYS A 122 -4.910 8.074 -9.091 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.710 8.337 -11.613 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -3.302 9.691 -9.556 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.559 8.304 -8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.863 8.321 -10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.505 9.901 -11.148 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.449 10.239 -9.769 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -0.954 10.682 -8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.583 9.410 -7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -0.866 8.457 -7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 1.254 7.234 -7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.224 7.149 -9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 1.577 8.174 -9.321 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.618 5.743 -9.873 1.00 0.00 N ATOM 1144 CA ILE A 123 -1.942 4.431 -9.890 1.00 0.00 C ATOM 1145 C ILE A 123 -2.527 3.518 -10.987 1.00 0.00 C ATOM 1146 O ILE A 123 -1.807 3.182 -11.921 1.00 0.00 O ATOM 1147 CB ILE A 123 -2.011 3.792 -8.479 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -1.172 4.650 -7.516 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.494 2.346 -8.475 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -1.428 4.398 -6.028 1.00 0.00 C ATOM 0 H ILE A 123 -3.002 5.981 -8.958 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.890 4.568 -10.141 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.053 3.760 -8.162 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.117 4.472 -7.722 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.366 5.701 -7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.561 1.938 -7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -2.098 1.742 -9.151 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.455 2.330 -8.804 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.789 5.051 -5.433 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.473 4.606 -5.798 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.204 3.358 -5.791 1.00 0.00 H new ATOM 1152 N PHE A 124 -3.836 3.318 -10.961 1.00 0.00 N ATOM 1153 CA PHE A 124 -4.565 2.466 -11.930 1.00 0.00 C ATOM 1154 C PHE A 124 -4.321 2.811 -13.404 1.00 0.00 C ATOM 1155 O PHE A 124 -4.180 1.924 -14.244 1.00 0.00 O ATOM 1156 CB PHE A 124 -6.075 2.518 -11.654 1.00 0.00 C ATOM 1157 CG PHE A 124 -6.516 2.018 -10.277 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -5.731 1.099 -9.542 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.641 2.640 -9.692 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -6.038 0.857 -8.186 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -7.957 2.381 -8.340 1.00 0.00 C ATOM 1162 CZ PHE A 124 -7.131 1.520 -7.597 1.00 0.00 C ATOM 0 H PHE A 124 -4.444 3.743 -10.261 1.00 0.00 H new ATOM 0 HA PHE A 124 -4.166 1.463 -11.776 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -6.412 3.548 -11.771 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -6.585 1.928 -12.415 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -4.905 0.588 -10.014 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -8.256 3.310 -10.275 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.440 0.170 -7.606 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.822 2.839 -7.883 1.00 0.00 H new ATOM 0 HZ PHE A 124 -7.340 1.363 -6.549 1.00 0.00 H new