USER MOD reduce.3.24.130724 H: found=0, std=0, add=1090, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 810 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 111 MET CE :methyl -131:sc= -11.2! (180deg=-11.7!) USER MOD Set 1.2: A 114 HIS : no HE2:sc= -7.75! C(o=-19!,f=-19!) USER MOD Set 1.3: A 118 HIS : no HD1:sc= -0.0931 X(o=-19,f=-19) USER MOD Set 2.1: A 100 GLN : amide:sc= -2.52 K(o=-4.8,f=-10!) USER MOD Set 2.2: A 102 LYS NZ :NH3+ -155:sc= -2.27 (180deg=-0.234) USER MOD Set 3.1: A 12 THR OG1 : rot -66:sc= -1.91 USER MOD Set 3.2: A 14 ASN : amide:sc= -9.31! C(o=-11!,f=-13!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.475 K(o=0.48,f=-0.045) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.694 USER MOD Single : A 23 GLN : amide:sc= -0.606 K(o=-0.61,f=0) USER MOD Single : A 26 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.3!) USER MOD Single : A 29 THR OG1 : rot -89:sc= -2.33! USER MOD Single : A 33 GLN : amide:sc= -8.24! C(o=-8.2!,f=-9.4!) USER MOD Single : A 37 ASN : amide:sc= -1.89 X(o=-1.9,f=-1.4) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 55:sc= 0.271 USER MOD Single : A 51 SER OG : rot 170:sc= -6.45! USER MOD Single : A 52 HIS : no HE2:sc= -9.28! C(o=-9.3!,f=-15!) USER MOD Single : A 55 ASN : amide:sc= -9.18! C(o=-9.2!,f=-12!) USER MOD Single : A 57 THR OG1 : rot 99:sc= 1.08 USER MOD Single : A 58 TYR OH : rot 30:sc= -1.04 USER MOD Single : A 61 LYS NZ :NH3+ 138:sc= -1.9 (180deg=-5.63!) USER MOD Single : A 65 THR OG1 : rot 101:sc= 1.22 USER MOD Single : A 66 ASN : amide:sc= -5.17! C(o=-5.2!,f=-4.7!) USER MOD Single : A 69 SER OG : rot 169:sc= -0.747 USER MOD Single : A 74 CYS SG : rot 180:sc= -2.57! USER MOD Single : A 89 CYS SG : rot 180:sc= 0.14 USER MOD Single : A 91 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.2) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 105 MET CE :methyl -155:sc= -3.25! (180deg=-6.09!) USER MOD Single : A 107 HIS : no HE2:sc= -4.44! C(o=-4.4!,f=-4.3!) USER MOD Single : A 110 HIS : no HD1:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 116 SER OG : rot -90:sc= 0.852 USER MOD Single : A 122 TYR OH : rot 81:sc= -2.24 USER MOD Single : A 124 HIS : no HD1:sc= -11.1! C(o=-11!,f=-8.2!) USER MOD Single : A 133 MET CE :methyl -102:sc= -4.31 (180deg=-6.09!) USER MOD Single : A 135 SER OG : rot 86:sc= 1.26 USER MOD Single : A 138 THR OG1 : rot 90:sc= 0.117 USER MOD Single : A 139 GLN : amide:sc= -0.372 K(o=-0.37,f=-1.2) USER MOD Single : A 141 MET CE :methyl -158:sc= -9.86! (180deg=-10.8!) USER MOD Single : A 142 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 5.505 6.040 -15.132 1.00 1.94 N ATOM 2 CA SER A 3 5.178 6.909 -13.971 1.00 1.63 C ATOM 3 C SER A 3 4.763 6.081 -12.760 1.00 1.31 C ATOM 4 O SER A 3 4.765 4.848 -12.807 1.00 1.66 O ATOM 5 CB SER A 3 4.045 7.857 -14.374 1.00 1.81 C ATOM 6 OG SER A 3 4.142 9.090 -13.681 1.00 2.13 O ATOM 0 HA SER A 3 6.065 7.478 -13.691 1.00 1.63 H new ATOM 0 HB2 SER A 3 4.081 8.036 -15.449 1.00 1.81 H new ATOM 0 HB3 SER A 3 3.083 7.391 -14.161 1.00 1.81 H new ATOM 0 HG SER A 3 3.409 9.679 -13.957 1.00 2.13 H new ATOM 12 N VAL A 4 4.409 6.763 -11.676 1.00 1.30 N ATOM 13 CA VAL A 4 3.994 6.088 -10.455 1.00 1.06 C ATOM 14 C VAL A 4 2.473 6.025 -10.357 1.00 0.93 C ATOM 15 O VAL A 4 1.807 7.046 -10.182 1.00 1.44 O ATOM 16 CB VAL A 4 4.569 6.779 -9.199 1.00 1.68 C ATOM 17 CG1 VAL A 4 4.045 8.203 -9.065 1.00 1.82 C ATOM 18 CG2 VAL A 4 4.251 5.968 -7.954 1.00 2.29 C ATOM 0 H VAL A 4 4.402 7.781 -11.619 1.00 1.30 H new ATOM 0 HA VAL A 4 4.390 5.074 -10.500 1.00 1.06 H new ATOM 0 HB VAL A 4 5.652 6.833 -9.309 1.00 1.68 H new ATOM 0 HG11 VAL A 4 4.467 8.664 -8.172 1.00 1.82 H new ATOM 0 HG12 VAL A 4 4.334 8.781 -9.943 1.00 1.82 H new ATOM 0 HG13 VAL A 4 2.958 8.185 -8.985 1.00 1.82 H new ATOM 0 HG21 VAL A 4 4.663 6.469 -7.078 1.00 2.29 H new ATOM 0 HG22 VAL A 4 3.170 5.877 -7.845 1.00 2.29 H new ATOM 0 HG23 VAL A 4 4.691 4.975 -8.045 1.00 2.29 H new ATOM 22 N LEU A 5 1.929 4.818 -10.478 1.00 0.94 N ATOM 23 CA LEU A 5 0.487 4.618 -10.410 1.00 1.34 C ATOM 24 C LEU A 5 0.093 3.909 -9.118 1.00 1.09 C ATOM 25 O LEU A 5 0.261 2.696 -8.986 1.00 1.34 O ATOM 26 CB LEU A 5 0.007 3.810 -11.619 1.00 2.05 C ATOM 27 CG LEU A 5 -0.626 4.636 -12.740 1.00 2.97 C ATOM 28 CD1 LEU A 5 0.441 5.139 -13.701 1.00 3.92 C ATOM 29 CD2 LEU A 5 -1.669 3.813 -13.481 1.00 3.33 C ATOM 0 H LEU A 5 2.466 3.963 -10.624 1.00 0.94 H new ATOM 0 HA LEU A 5 0.009 5.597 -10.422 1.00 1.34 H new ATOM 0 HB2 LEU A 5 0.854 3.259 -12.028 1.00 2.05 H new ATOM 0 HB3 LEU A 5 -0.719 3.072 -11.278 1.00 2.05 H new ATOM 0 HG LEU A 5 -1.120 5.500 -12.296 1.00 2.97 H new ATOM 0 HD11 LEU A 5 -0.028 5.724 -14.492 1.00 3.92 H new ATOM 0 HD12 LEU A 5 1.152 5.763 -13.160 1.00 3.92 H new ATOM 0 HD13 LEU A 5 0.964 4.290 -14.140 1.00 3.92 H new ATOM 0 HD21 LEU A 5 -2.110 4.415 -14.275 1.00 3.33 H new ATOM 0 HD22 LEU A 5 -1.196 2.931 -13.914 1.00 3.33 H new ATOM 0 HD23 LEU A 5 -2.449 3.502 -12.786 1.00 3.33 H new ATOM 35 N VAL A 6 -0.432 4.672 -8.168 1.00 0.88 N ATOM 36 CA VAL A 6 -0.852 4.118 -6.888 1.00 0.75 C ATOM 37 C VAL A 6 -2.363 4.233 -6.714 1.00 0.75 C ATOM 38 O VAL A 6 -2.935 5.313 -6.864 1.00 1.03 O ATOM 39 CB VAL A 6 -0.149 4.823 -5.714 1.00 0.94 C ATOM 40 CG1 VAL A 6 -0.475 6.309 -5.709 1.00 1.26 C ATOM 41 CG2 VAL A 6 -0.532 4.177 -4.390 1.00 1.02 C ATOM 0 H VAL A 6 -0.577 5.677 -8.260 1.00 0.88 H new ATOM 0 HA VAL A 6 -0.569 3.065 -6.886 1.00 0.75 H new ATOM 0 HB VAL A 6 0.928 4.713 -5.843 1.00 0.94 H new ATOM 0 HG11 VAL A 6 0.031 6.790 -4.872 1.00 1.26 H new ATOM 0 HG12 VAL A 6 -0.138 6.759 -6.643 1.00 1.26 H new ATOM 0 HG13 VAL A 6 -1.552 6.445 -5.608 1.00 1.26 H new ATOM 0 HG21 VAL A 6 -0.024 4.691 -3.574 1.00 1.02 H new ATOM 0 HG22 VAL A 6 -1.610 4.249 -4.249 1.00 1.02 H new ATOM 0 HG23 VAL A 6 -0.236 3.128 -4.398 1.00 1.02 H new ATOM 45 N ASP A 7 -3.005 3.113 -6.401 1.00 0.72 N ATOM 46 CA ASP A 7 -4.451 3.089 -6.212 1.00 0.83 C ATOM 47 C ASP A 7 -4.810 2.695 -4.783 1.00 0.75 C ATOM 48 O ASP A 7 -4.318 1.697 -4.261 1.00 0.99 O ATOM 49 CB ASP A 7 -5.097 2.115 -7.201 1.00 1.02 C ATOM 50 CG ASP A 7 -6.235 2.748 -7.977 1.00 1.78 C ATOM 51 OD1 ASP A 7 -6.071 3.898 -8.439 1.00 2.52 O ATOM 52 OD2 ASP A 7 -7.290 2.096 -8.123 1.00 2.33 O ATOM 0 H ASP A 7 -2.548 2.210 -6.273 1.00 0.72 H new ATOM 0 HA ASP A 7 -4.833 4.093 -6.397 1.00 0.83 H new ATOM 0 HB2 ASP A 7 -4.341 1.756 -7.899 1.00 1.02 H new ATOM 0 HB3 ASP A 7 -5.470 1.246 -6.659 1.00 1.02 H new ATOM 57 N LEU A 8 -5.684 3.482 -4.161 1.00 0.63 N ATOM 58 CA LEU A 8 -6.125 3.216 -2.795 1.00 0.74 C ATOM 59 C LEU A 8 -7.636 3.381 -2.686 1.00 0.59 C ATOM 60 O LEU A 8 -8.197 4.354 -3.190 1.00 0.79 O ATOM 61 CB LEU A 8 -5.398 4.130 -1.795 1.00 1.20 C ATOM 62 CG LEU A 8 -5.773 5.619 -1.831 1.00 0.83 C ATOM 63 CD1 LEU A 8 -5.770 6.151 -3.254 1.00 1.78 C ATOM 64 CD2 LEU A 8 -7.125 5.852 -1.169 1.00 1.52 C ATOM 0 H LEU A 8 -6.102 4.311 -4.583 1.00 0.63 H new ATOM 0 HA LEU A 8 -5.873 2.185 -2.546 1.00 0.74 H new ATOM 0 HB2 LEU A 8 -5.587 3.755 -0.789 1.00 1.20 H new ATOM 0 HB3 LEU A 8 -4.326 4.044 -1.971 1.00 1.20 H new ATOM 0 HG LEU A 8 -5.018 6.168 -1.268 1.00 0.83 H new ATOM 0 HD11 LEU A 8 -6.039 7.207 -3.248 1.00 1.78 H new ATOM 0 HD12 LEU A 8 -4.776 6.032 -3.685 1.00 1.78 H new ATOM 0 HD13 LEU A 8 -6.493 5.596 -3.852 1.00 1.78 H new ATOM 0 HD21 LEU A 8 -7.370 6.913 -1.206 1.00 1.52 H new ATOM 0 HD22 LEU A 8 -7.891 5.284 -1.697 1.00 1.52 H new ATOM 0 HD23 LEU A 8 -7.082 5.526 -0.130 1.00 1.52 H new ATOM 70 N GLN A 9 -8.299 2.419 -2.046 1.00 0.65 N ATOM 71 CA GLN A 9 -9.753 2.475 -1.909 1.00 0.80 C ATOM 72 C GLN A 9 -10.216 2.211 -0.478 1.00 0.79 C ATOM 73 O GLN A 9 -9.777 1.258 0.171 1.00 0.81 O ATOM 74 CB GLN A 9 -10.412 1.472 -2.859 1.00 1.03 C ATOM 75 CG GLN A 9 -9.717 0.122 -2.896 1.00 1.27 C ATOM 76 CD GLN A 9 -8.952 -0.105 -4.186 1.00 1.82 C ATOM 77 OE1 GLN A 9 -9.535 -0.129 -5.271 1.00 2.23 O ATOM 78 NE2 GLN A 9 -7.640 -0.274 -4.075 1.00 2.59 N ATOM 0 H GLN A 9 -7.860 1.603 -1.620 1.00 0.65 H new ATOM 0 HA GLN A 9 -10.058 3.488 -2.169 1.00 0.80 H new ATOM 0 HB2 GLN A 9 -11.450 1.329 -2.559 1.00 1.03 H new ATOM 0 HB3 GLN A 9 -10.426 1.892 -3.865 1.00 1.03 H new ATOM 0 HG2 GLN A 9 -9.030 0.048 -2.053 1.00 1.27 H new ATOM 0 HG3 GLN A 9 -10.458 -0.668 -2.774 1.00 1.27 H new ATOM 0 HE21 GLN A 9 -7.198 -0.247 -3.156 1.00 2.59 H new ATOM 0 HE22 GLN A 9 -7.074 -0.431 -4.909 1.00 2.59 H new ATOM 85 N ILE A 10 -11.129 3.060 -0.011 1.00 0.83 N ATOM 86 CA ILE A 10 -11.700 2.943 1.325 1.00 0.86 C ATOM 87 C ILE A 10 -13.113 2.366 1.230 1.00 1.02 C ATOM 88 O ILE A 10 -13.843 2.660 0.283 1.00 1.23 O ATOM 89 CB ILE A 10 -11.729 4.324 2.032 1.00 0.96 C ATOM 90 CG1 ILE A 10 -10.575 4.437 3.036 1.00 1.21 C ATOM 91 CG2 ILE A 10 -13.071 4.582 2.716 1.00 1.28 C ATOM 92 CD1 ILE A 10 -10.888 3.871 4.405 1.00 1.19 C ATOM 0 H ILE A 10 -11.492 3.847 -0.549 1.00 0.83 H new ATOM 0 HA ILE A 10 -11.077 2.272 1.917 1.00 0.86 H new ATOM 0 HB ILE A 10 -11.602 5.090 1.267 1.00 0.96 H new ATOM 0 HG12 ILE A 10 -9.704 3.921 2.632 1.00 1.21 H new ATOM 0 HG13 ILE A 10 -10.302 5.487 3.143 1.00 1.21 H new ATOM 0 HG21 ILE A 10 -13.051 5.559 3.199 1.00 1.28 H new ATOM 0 HG22 ILE A 10 -13.868 4.561 1.973 1.00 1.28 H new ATOM 0 HG23 ILE A 10 -13.252 3.810 3.464 1.00 1.28 H new ATOM 0 HD11 ILE A 10 -10.021 3.990 5.055 1.00 1.19 H new ATOM 0 HD12 ILE A 10 -11.738 4.403 4.833 1.00 1.19 H new ATOM 0 HD13 ILE A 10 -11.131 2.812 4.314 1.00 1.19 H new ATOM 96 N ALA A 11 -13.495 1.538 2.197 1.00 0.97 N ATOM 97 CA ALA A 11 -14.821 0.929 2.179 1.00 1.15 C ATOM 98 C ALA A 11 -15.317 0.579 3.581 1.00 1.15 C ATOM 99 O ALA A 11 -16.121 -0.339 3.748 1.00 1.32 O ATOM 100 CB ALA A 11 -14.802 -0.314 1.302 1.00 1.30 C ATOM 0 H ALA A 11 -12.914 1.275 2.993 1.00 0.97 H new ATOM 0 HA ALA A 11 -15.516 1.661 1.767 1.00 1.15 H new ATOM 0 HB1 ALA A 11 -15.794 -0.766 1.291 1.00 1.30 H new ATOM 0 HB2 ALA A 11 -14.517 -0.039 0.287 1.00 1.30 H new ATOM 0 HB3 ALA A 11 -14.082 -1.029 1.700 1.00 1.30 H new ATOM 106 N THR A 12 -14.842 1.307 4.585 1.00 1.10 N ATOM 107 CA THR A 12 -15.254 1.053 5.964 1.00 1.29 C ATOM 108 C THR A 12 -15.714 2.337 6.647 1.00 1.72 C ATOM 109 O THR A 12 -15.905 3.366 5.999 1.00 2.07 O ATOM 110 CB THR A 12 -14.106 0.422 6.769 1.00 1.15 C ATOM 111 OG1 THR A 12 -13.410 1.407 7.516 1.00 1.78 O ATOM 112 CG2 THR A 12 -13.087 -0.301 5.918 1.00 1.29 C ATOM 0 H THR A 12 -14.177 2.072 4.474 1.00 1.10 H new ATOM 0 HA THR A 12 -16.091 0.356 5.932 1.00 1.29 H new ATOM 0 HB THR A 12 -14.592 -0.306 7.419 1.00 1.15 H new ATOM 0 HG1 THR A 12 -12.954 2.021 6.903 1.00 1.78 H new ATOM 0 HG21 THR A 12 -12.309 -0.719 6.558 1.00 1.29 H new ATOM 0 HG22 THR A 12 -13.576 -1.106 5.369 1.00 1.29 H new ATOM 0 HG23 THR A 12 -12.639 0.399 5.213 1.00 1.29 H new ATOM 117 N GLU A 13 -15.862 2.266 7.966 1.00 2.10 N ATOM 118 CA GLU A 13 -16.270 3.419 8.759 1.00 2.62 C ATOM 119 C GLU A 13 -15.040 4.191 9.239 1.00 2.49 C ATOM 120 O GLU A 13 -15.127 5.034 10.133 1.00 2.85 O ATOM 121 CB GLU A 13 -17.105 2.960 9.955 1.00 3.24 C ATOM 122 CG GLU A 13 -18.403 3.733 10.124 1.00 3.89 C ATOM 123 CD GLU A 13 -19.072 3.466 11.459 1.00 4.72 C ATOM 124 OE1 GLU A 13 -19.141 2.285 11.862 1.00 5.17 O ATOM 125 OE2 GLU A 13 -19.525 4.436 12.101 1.00 5.27 O ATOM 0 H GLU A 13 -15.704 1.418 8.510 1.00 2.10 H new ATOM 0 HA GLU A 13 -16.876 4.079 8.138 1.00 2.62 H new ATOM 0 HB2 GLU A 13 -17.335 1.901 9.842 1.00 3.24 H new ATOM 0 HB3 GLU A 13 -16.511 3.062 10.863 1.00 3.24 H new ATOM 0 HG2 GLU A 13 -18.201 4.800 10.030 1.00 3.89 H new ATOM 0 HG3 GLU A 13 -19.088 3.466 9.319 1.00 3.89 H new ATOM 132 N ASN A 14 -13.897 3.881 8.634 1.00 2.26 N ATOM 133 CA ASN A 14 -12.629 4.514 8.969 1.00 2.51 C ATOM 134 C ASN A 14 -12.697 6.027 8.771 1.00 1.99 C ATOM 135 O ASN A 14 -13.774 6.616 8.832 1.00 1.78 O ATOM 136 CB ASN A 14 -11.519 3.892 8.111 1.00 3.10 C ATOM 137 CG ASN A 14 -11.082 2.520 8.602 1.00 3.79 C ATOM 138 OD1 ASN A 14 -10.077 1.981 8.137 1.00 4.30 O ATOM 139 ND2 ASN A 14 -11.828 1.939 9.542 1.00 4.18 N ATOM 0 H ASN A 14 -13.826 3.181 7.895 1.00 2.26 H new ATOM 0 HA ASN A 14 -12.409 4.341 10.022 1.00 2.51 H new ATOM 0 HB2 ASN A 14 -11.868 3.809 7.082 1.00 3.10 H new ATOM 0 HB3 ASN A 14 -10.657 4.560 8.103 1.00 3.10 H new ATOM 0 HD21 ASN A 14 -11.573 1.018 9.899 1.00 4.18 H new ATOM 0 HD22 ASN A 14 -12.654 2.415 9.904 1.00 4.18 H new ATOM 144 N ILE A 15 -11.531 6.640 8.549 1.00 2.45 N ATOM 145 CA ILE A 15 -11.402 8.089 8.350 1.00 2.24 C ATOM 146 C ILE A 15 -12.733 8.772 8.069 1.00 1.60 C ATOM 147 O ILE A 15 -13.498 8.357 7.198 1.00 1.92 O ATOM 148 CB ILE A 15 -10.442 8.409 7.184 1.00 3.00 C ATOM 149 CG1 ILE A 15 -10.251 7.173 6.309 1.00 2.89 C ATOM 150 CG2 ILE A 15 -9.105 8.904 7.715 1.00 3.77 C ATOM 151 CD1 ILE A 15 -11.517 6.728 5.611 1.00 3.61 C ATOM 0 H ILE A 15 -10.642 6.142 8.502 1.00 2.45 H new ATOM 0 HA ILE A 15 -11.005 8.475 9.289 1.00 2.24 H new ATOM 0 HB ILE A 15 -10.880 9.201 6.576 1.00 3.00 H new ATOM 0 HG12 ILE A 15 -9.487 7.382 5.560 1.00 2.89 H new ATOM 0 HG13 ILE A 15 -9.878 6.355 6.925 1.00 2.89 H new ATOM 0 HG21 ILE A 15 -8.441 9.125 6.879 1.00 3.77 H new ATOM 0 HG22 ILE A 15 -9.260 9.808 8.304 1.00 3.77 H new ATOM 0 HG23 ILE A 15 -8.655 8.134 8.342 1.00 3.77 H new ATOM 0 HD11 ILE A 15 -11.308 5.845 5.007 1.00 3.61 H new ATOM 0 HD12 ILE A 15 -12.277 6.488 6.354 1.00 3.61 H new ATOM 0 HD13 ILE A 15 -11.879 7.530 4.968 1.00 3.61 H new ATOM 155 N GLU A 16 -12.985 9.829 8.822 1.00 1.45 N ATOM 156 CA GLU A 16 -14.211 10.610 8.692 1.00 1.67 C ATOM 157 C GLU A 16 -14.536 10.883 7.225 1.00 1.94 C ATOM 158 O GLU A 16 -15.703 11.006 6.851 1.00 2.67 O ATOM 159 CB GLU A 16 -14.067 11.929 9.452 1.00 2.11 C ATOM 160 CG GLU A 16 -15.342 12.755 9.483 1.00 3.11 C ATOM 161 CD GLU A 16 -16.169 12.504 10.729 1.00 3.84 C ATOM 162 OE1 GLU A 16 -15.576 12.398 11.823 1.00 4.13 O ATOM 163 OE2 GLU A 16 -17.409 12.416 10.611 1.00 4.53 O ATOM 0 H GLU A 16 -12.348 10.173 9.541 1.00 1.45 H new ATOM 0 HA GLU A 16 -15.032 10.034 9.118 1.00 1.67 H new ATOM 0 HB2 GLU A 16 -13.756 11.717 10.475 1.00 2.11 H new ATOM 0 HB3 GLU A 16 -13.273 12.518 8.993 1.00 2.11 H new ATOM 0 HG2 GLU A 16 -15.086 13.813 9.428 1.00 3.11 H new ATOM 0 HG3 GLU A 16 -15.941 12.526 8.602 1.00 3.11 H new ATOM 170 N GLY A 17 -13.498 10.973 6.402 1.00 1.95 N ATOM 171 CA GLY A 17 -13.694 11.225 4.988 1.00 2.86 C ATOM 172 C GLY A 17 -12.593 10.625 4.138 1.00 2.74 C ATOM 173 O GLY A 17 -11.420 10.670 4.507 1.00 3.16 O ATOM 0 H GLY A 17 -12.524 10.876 6.689 1.00 1.95 H new ATOM 0 HA2 GLY A 17 -14.654 10.813 4.678 1.00 2.86 H new ATOM 0 HA3 GLY A 17 -13.738 12.300 4.816 1.00 2.86 H new ATOM 177 N LEU A 18 -12.973 10.058 2.998 1.00 2.64 N ATOM 178 CA LEU A 18 -12.009 9.441 2.095 1.00 2.63 C ATOM 179 C LEU A 18 -10.948 10.452 1.657 1.00 2.01 C ATOM 180 O LEU A 18 -11.257 11.426 0.972 1.00 2.22 O ATOM 181 CB LEU A 18 -12.726 8.868 0.868 1.00 3.46 C ATOM 182 CG LEU A 18 -11.823 8.183 -0.162 1.00 3.97 C ATOM 183 CD1 LEU A 18 -11.138 9.214 -1.044 1.00 4.46 C ATOM 184 CD2 LEU A 18 -10.792 7.299 0.527 1.00 4.91 C ATOM 0 H LEU A 18 -13.940 10.013 2.678 1.00 2.64 H new ATOM 0 HA LEU A 18 -11.512 8.631 2.629 1.00 2.63 H new ATOM 0 HB2 LEU A 18 -13.472 8.149 1.207 1.00 3.46 H new ATOM 0 HB3 LEU A 18 -13.265 9.676 0.373 1.00 3.46 H new ATOM 0 HG LEU A 18 -12.447 7.551 -0.794 1.00 3.97 H new ATOM 0 HD11 LEU A 18 -10.501 8.707 -1.769 1.00 4.46 H new ATOM 0 HD12 LEU A 18 -11.891 9.801 -1.570 1.00 4.46 H new ATOM 0 HD13 LEU A 18 -10.530 9.875 -0.426 1.00 4.46 H new ATOM 0 HD21 LEU A 18 -10.162 6.822 -0.224 1.00 4.91 H new ATOM 0 HD22 LEU A 18 -10.174 7.908 1.187 1.00 4.91 H new ATOM 0 HD23 LEU A 18 -11.302 6.533 1.112 1.00 4.91 H new ATOM 190 N PRO A 19 -9.677 10.233 2.044 1.00 1.58 N ATOM 191 CA PRO A 19 -8.577 11.134 1.680 1.00 1.46 C ATOM 192 C PRO A 19 -8.383 11.223 0.170 1.00 1.48 C ATOM 193 O PRO A 19 -8.075 10.227 -0.485 1.00 2.32 O ATOM 194 CB PRO A 19 -7.348 10.498 2.343 1.00 1.63 C ATOM 195 CG PRO A 19 -7.731 9.081 2.588 1.00 1.84 C ATOM 196 CD PRO A 19 -9.206 9.099 2.858 1.00 1.84 C ATOM 0 HA PRO A 19 -8.765 12.157 2.007 1.00 1.46 H new ATOM 0 HB2 PRO A 19 -6.473 10.564 1.697 1.00 1.63 H new ATOM 0 HB3 PRO A 19 -7.095 11.005 3.274 1.00 1.63 H new ATOM 0 HG2 PRO A 19 -7.499 8.458 1.724 1.00 1.84 H new ATOM 0 HG3 PRO A 19 -7.183 8.668 3.435 1.00 1.84 H new ATOM 0 HD2 PRO A 19 -9.682 8.164 2.562 1.00 1.84 H new ATOM 0 HD3 PRO A 19 -9.421 9.245 3.917 1.00 1.84 H new ATOM 204 N THR A 20 -8.571 12.421 -0.379 1.00 1.19 N ATOM 205 CA THR A 20 -8.420 12.640 -1.816 1.00 1.25 C ATOM 206 C THR A 20 -7.114 12.041 -2.328 1.00 1.21 C ATOM 207 O THR A 20 -6.044 12.298 -1.779 1.00 1.19 O ATOM 208 CB THR A 20 -8.466 14.135 -2.132 1.00 1.39 C ATOM 209 OG1 THR A 20 -7.426 14.823 -1.459 1.00 1.78 O ATOM 210 CG2 THR A 20 -9.775 14.789 -1.744 1.00 2.03 C ATOM 0 H THR A 20 -8.828 13.255 0.149 1.00 1.19 H new ATOM 0 HA THR A 20 -9.248 12.142 -2.321 1.00 1.25 H new ATOM 0 HB THR A 20 -8.350 14.205 -3.214 1.00 1.39 H new ATOM 0 HG1 THR A 20 -7.472 15.778 -1.676 1.00 1.78 H new ATOM 0 HG21 THR A 20 -9.741 15.849 -1.995 1.00 2.03 H new ATOM 0 HG22 THR A 20 -10.593 14.314 -2.285 1.00 2.03 H new ATOM 0 HG23 THR A 20 -9.935 14.675 -0.672 1.00 2.03 H new ATOM 215 N GLU A 21 -7.211 11.238 -3.382 1.00 1.30 N ATOM 216 CA GLU A 21 -6.037 10.599 -3.965 1.00 1.28 C ATOM 217 C GLU A 21 -5.032 11.634 -4.449 1.00 1.19 C ATOM 218 O GLU A 21 -3.828 11.476 -4.256 1.00 1.10 O ATOM 219 CB GLU A 21 -6.442 9.679 -5.120 1.00 1.44 C ATOM 220 CG GLU A 21 -7.491 10.278 -6.045 1.00 1.56 C ATOM 221 CD GLU A 21 -7.621 9.517 -7.349 1.00 1.94 C ATOM 222 OE1 GLU A 21 -6.582 9.075 -7.885 1.00 2.54 O ATOM 223 OE2 GLU A 21 -8.760 9.363 -7.836 1.00 2.04 O ATOM 0 H GLU A 21 -8.089 11.014 -3.850 1.00 1.30 H new ATOM 0 HA GLU A 21 -5.564 10.000 -3.187 1.00 1.28 H new ATOM 0 HB2 GLU A 21 -5.555 9.432 -5.704 1.00 1.44 H new ATOM 0 HB3 GLU A 21 -6.824 8.744 -4.710 1.00 1.44 H new ATOM 0 HG2 GLU A 21 -8.455 10.288 -5.537 1.00 1.56 H new ATOM 0 HG3 GLU A 21 -7.232 11.315 -6.258 1.00 1.56 H new ATOM 230 N GLU A 22 -5.525 12.696 -5.075 1.00 1.24 N ATOM 231 CA GLU A 22 -4.655 13.752 -5.581 1.00 1.18 C ATOM 232 C GLU A 22 -3.656 14.191 -4.514 1.00 1.05 C ATOM 233 O GLU A 22 -2.445 14.181 -4.739 1.00 0.99 O ATOM 234 CB GLU A 22 -5.487 14.951 -6.042 1.00 1.26 C ATOM 235 CG GLU A 22 -4.702 15.955 -6.871 1.00 1.93 C ATOM 236 CD GLU A 22 -3.892 16.910 -6.016 1.00 2.47 C ATOM 237 OE1 GLU A 22 -4.478 17.881 -5.492 1.00 2.76 O ATOM 238 OE2 GLU A 22 -2.672 16.687 -5.871 1.00 3.23 O ATOM 0 H GLU A 22 -6.519 12.849 -5.244 1.00 1.24 H new ATOM 0 HA GLU A 22 -4.101 13.355 -6.432 1.00 1.18 H new ATOM 0 HB2 GLU A 22 -6.333 14.592 -6.628 1.00 1.26 H new ATOM 0 HB3 GLU A 22 -5.896 15.456 -5.167 1.00 1.26 H new ATOM 0 HG2 GLU A 22 -4.033 15.420 -7.545 1.00 1.93 H new ATOM 0 HG3 GLU A 22 -5.392 16.526 -7.493 1.00 1.93 H new ATOM 245 N GLN A 23 -4.173 14.567 -3.349 1.00 1.02 N ATOM 246 CA GLN A 23 -3.328 15.005 -2.244 1.00 0.93 C ATOM 247 C GLN A 23 -2.387 13.890 -1.800 1.00 0.82 C ATOM 248 O GLN A 23 -1.175 13.980 -1.985 1.00 0.77 O ATOM 249 CB GLN A 23 -4.190 15.460 -1.064 1.00 0.99 C ATOM 250 CG GLN A 23 -4.388 16.965 -0.999 1.00 0.97 C ATOM 251 CD GLN A 23 -3.358 17.652 -0.121 1.00 1.14 C ATOM 252 OE1 GLN A 23 -3.694 18.516 0.688 1.00 2.08 O ATOM 253 NE2 GLN A 23 -2.096 17.269 -0.277 1.00 1.09 N ATOM 0 H GLN A 23 -5.172 14.577 -3.146 1.00 1.02 H new ATOM 0 HA GLN A 23 -2.727 15.845 -2.592 1.00 0.93 H new ATOM 0 HB2 GLN A 23 -5.165 14.976 -1.129 1.00 0.99 H new ATOM 0 HB3 GLN A 23 -3.728 15.122 -0.136 1.00 0.99 H new ATOM 0 HG2 GLN A 23 -4.335 17.378 -2.006 1.00 0.97 H new ATOM 0 HG3 GLN A 23 -5.386 17.180 -0.618 1.00 0.97 H new ATOM 0 HE21 GLN A 23 -1.862 16.548 -0.960 1.00 1.09 H new ATOM 0 HE22 GLN A 23 -1.360 17.695 0.286 1.00 1.09 H new ATOM 260 N ILE A 24 -2.954 12.838 -1.214 1.00 0.83 N ATOM 261 CA ILE A 24 -2.163 11.705 -0.737 1.00 0.74 C ATOM 262 C ILE A 24 -1.189 11.215 -1.802 1.00 0.69 C ATOM 263 O ILE A 24 0.028 11.229 -1.603 1.00 0.67 O ATOM 264 CB ILE A 24 -3.061 10.523 -0.315 1.00 0.82 C ATOM 265 CG1 ILE A 24 -4.215 10.998 0.572 1.00 1.01 C ATOM 266 CG2 ILE A 24 -2.237 9.467 0.404 1.00 0.85 C ATOM 267 CD1 ILE A 24 -3.793 11.961 1.663 1.00 1.43 C ATOM 0 H ILE A 24 -3.958 12.746 -1.058 1.00 0.83 H new ATOM 0 HA ILE A 24 -1.606 12.065 0.128 1.00 0.74 H new ATOM 0 HB ILE A 24 -3.489 10.082 -1.215 1.00 0.82 H new ATOM 0 HG12 ILE A 24 -4.967 11.479 -0.053 1.00 1.01 H new ATOM 0 HG13 ILE A 24 -4.689 10.130 1.030 1.00 1.01 H new ATOM 0 HG21 ILE A 24 -2.882 8.639 0.696 1.00 0.85 H new ATOM 0 HG22 ILE A 24 -1.455 9.101 -0.261 1.00 0.85 H new ATOM 0 HG23 ILE A 24 -1.782 9.904 1.293 1.00 0.85 H new ATOM 0 HD11 ILE A 24 -4.665 12.252 2.249 1.00 1.43 H new ATOM 0 HD12 ILE A 24 -3.064 11.477 2.313 1.00 1.43 H new ATOM 0 HD13 ILE A 24 -3.346 12.847 1.213 1.00 1.43 H new ATOM 271 N VAL A 25 -1.735 10.775 -2.931 1.00 0.77 N ATOM 272 CA VAL A 25 -0.924 10.270 -4.031 1.00 0.77 C ATOM 273 C VAL A 25 0.180 11.255 -4.410 1.00 0.74 C ATOM 274 O VAL A 25 1.359 10.906 -4.404 1.00 0.73 O ATOM 275 CB VAL A 25 -1.783 9.964 -5.276 1.00 0.91 C ATOM 276 CG1 VAL A 25 -0.925 9.406 -6.400 1.00 0.85 C ATOM 277 CG2 VAL A 25 -2.905 8.996 -4.931 1.00 1.45 C ATOM 0 H VAL A 25 -2.739 10.758 -3.108 1.00 0.77 H new ATOM 0 HA VAL A 25 -0.468 9.344 -3.681 1.00 0.77 H new ATOM 0 HB VAL A 25 -2.228 10.898 -5.617 1.00 0.91 H new ATOM 0 HG11 VAL A 25 -1.552 9.198 -7.267 1.00 0.85 H new ATOM 0 HG12 VAL A 25 -0.161 10.135 -6.671 1.00 0.85 H new ATOM 0 HG13 VAL A 25 -0.446 8.485 -6.069 1.00 0.85 H new ATOM 0 HG21 VAL A 25 -3.498 8.794 -5.823 1.00 1.45 H new ATOM 0 HG22 VAL A 25 -2.480 8.064 -4.559 1.00 1.45 H new ATOM 0 HG23 VAL A 25 -3.542 9.436 -4.164 1.00 1.45 H new ATOM 281 N GLN A 26 -0.206 12.484 -4.744 1.00 0.76 N ATOM 282 CA GLN A 26 0.763 13.507 -5.131 1.00 0.77 C ATOM 283 C GLN A 26 1.782 13.752 -4.020 1.00 0.72 C ATOM 284 O GLN A 26 2.988 13.655 -4.237 1.00 0.71 O ATOM 285 CB GLN A 26 0.052 14.815 -5.480 1.00 0.85 C ATOM 286 CG GLN A 26 0.972 15.869 -6.073 1.00 0.94 C ATOM 287 CD GLN A 26 1.024 15.812 -7.587 1.00 1.33 C ATOM 288 OE1 GLN A 26 0.125 15.269 -8.230 1.00 1.72 O ATOM 289 NE2 GLN A 26 2.079 16.373 -8.166 1.00 2.19 N ATOM 0 H GLN A 26 -1.177 12.795 -4.755 1.00 0.76 H new ATOM 0 HA GLN A 26 1.294 13.143 -6.011 1.00 0.77 H new ATOM 0 HB2 GLN A 26 -0.750 14.605 -6.188 1.00 0.85 H new ATOM 0 HB3 GLN A 26 -0.414 15.217 -4.580 1.00 0.85 H new ATOM 0 HG2 GLN A 26 0.634 16.857 -5.762 1.00 0.94 H new ATOM 0 HG3 GLN A 26 1.977 15.735 -5.673 1.00 0.94 H new ATOM 0 HE21 GLN A 26 2.801 16.812 -7.595 1.00 2.19 H new ATOM 0 HE22 GLN A 26 2.168 16.365 -9.182 1.00 2.19 H new ATOM 296 N TRP A 27 1.295 14.075 -2.831 1.00 0.74 N ATOM 297 CA TRP A 27 2.173 14.340 -1.697 1.00 0.76 C ATOM 298 C TRP A 27 3.176 13.201 -1.496 1.00 0.69 C ATOM 299 O TRP A 27 4.388 13.408 -1.571 1.00 0.67 O ATOM 300 CB TRP A 27 1.334 14.563 -0.429 1.00 0.92 C ATOM 301 CG TRP A 27 1.945 14.024 0.832 1.00 0.87 C ATOM 302 CD1 TRP A 27 1.682 12.819 1.418 1.00 1.06 C ATOM 303 CD2 TRP A 27 2.913 14.673 1.665 1.00 0.79 C ATOM 304 NE1 TRP A 27 2.423 12.680 2.565 1.00 1.02 N ATOM 305 CE2 TRP A 27 3.189 13.803 2.738 1.00 0.81 C ATOM 306 CE3 TRP A 27 3.574 15.904 1.610 1.00 0.89 C ATOM 307 CZ2 TRP A 27 4.096 14.126 3.744 1.00 0.79 C ATOM 308 CZ3 TRP A 27 4.474 16.223 2.609 1.00 0.98 C ATOM 309 CH2 TRP A 27 4.728 15.336 3.664 1.00 0.87 C ATOM 0 H TRP A 27 0.300 14.160 -2.625 1.00 0.74 H new ATOM 0 HA TRP A 27 2.744 15.245 -1.904 1.00 0.76 H new ATOM 0 HB2 TRP A 27 1.164 15.633 -0.306 1.00 0.92 H new ATOM 0 HB3 TRP A 27 0.358 14.100 -0.570 1.00 0.92 H new ATOM 0 HD1 TRP A 27 0.991 12.082 1.035 1.00 1.06 H new ATOM 0 HE1 TRP A 27 2.406 11.872 3.187 1.00 1.02 H new ATOM 0 HE3 TRP A 27 3.384 16.594 0.801 1.00 0.89 H new ATOM 0 HZ2 TRP A 27 4.293 13.445 4.559 1.00 0.79 H new ATOM 0 HZ3 TRP A 27 4.990 17.171 2.576 1.00 0.98 H new ATOM 0 HH2 TRP A 27 5.437 15.614 4.429 1.00 0.87 H new ATOM 320 N ALA A 28 2.665 12.004 -1.232 1.00 0.70 N ATOM 321 CA ALA A 28 3.524 10.847 -1.005 1.00 0.72 C ATOM 322 C ALA A 28 4.114 10.301 -2.303 1.00 0.68 C ATOM 323 O ALA A 28 5.291 10.511 -2.599 1.00 0.73 O ATOM 324 CB ALA A 28 2.748 9.756 -0.281 1.00 0.78 C ATOM 0 H ALA A 28 1.666 11.809 -1.170 1.00 0.70 H new ATOM 0 HA ALA A 28 4.358 11.176 -0.385 1.00 0.72 H new ATOM 0 HB1 ALA A 28 3.397 8.896 -0.116 1.00 0.78 H new ATOM 0 HB2 ALA A 28 2.397 10.135 0.679 1.00 0.78 H new ATOM 0 HB3 ALA A 28 1.893 9.454 -0.887 1.00 0.78 H new ATOM 330 N THR A 29 3.297 9.579 -3.062 1.00 0.63 N ATOM 331 CA THR A 29 3.747 8.978 -4.312 1.00 0.67 C ATOM 332 C THR A 29 4.286 10.017 -5.295 1.00 0.64 C ATOM 333 O THR A 29 5.207 9.734 -6.062 1.00 0.72 O ATOM 334 CB THR A 29 2.617 8.178 -4.959 1.00 0.69 C ATOM 335 OG1 THR A 29 1.452 8.203 -4.152 1.00 1.02 O ATOM 336 CG2 THR A 29 2.989 6.730 -5.187 1.00 0.74 C ATOM 0 H THR A 29 2.320 9.396 -2.834 1.00 0.63 H new ATOM 0 HA THR A 29 4.569 8.306 -4.065 1.00 0.67 H new ATOM 0 HB THR A 29 2.430 8.654 -5.922 1.00 0.69 H new ATOM 0 HG1 THR A 29 1.477 7.456 -3.518 1.00 1.02 H new ATOM 0 HG21 THR A 29 2.151 6.207 -5.649 1.00 0.74 H new ATOM 0 HG22 THR A 29 3.857 6.676 -5.845 1.00 0.74 H new ATOM 0 HG23 THR A 29 3.228 6.261 -4.232 1.00 0.74 H new ATOM 341 N GLY A 30 3.718 11.217 -5.277 1.00 0.60 N ATOM 342 CA GLY A 30 4.181 12.251 -6.182 1.00 0.64 C ATOM 343 C GLY A 30 5.581 12.716 -5.844 1.00 0.66 C ATOM 344 O GLY A 30 6.376 13.017 -6.735 1.00 0.72 O ATOM 0 H GLY A 30 2.954 11.490 -4.659 1.00 0.60 H new ATOM 0 HA2 GLY A 30 4.162 11.873 -7.204 1.00 0.64 H new ATOM 0 HA3 GLY A 30 3.498 13.099 -6.143 1.00 0.64 H new ATOM 348 N ALA A 31 5.888 12.772 -4.550 1.00 0.65 N ATOM 349 CA ALA A 31 7.206 13.198 -4.098 1.00 0.73 C ATOM 350 C ALA A 31 8.274 12.161 -4.441 1.00 0.75 C ATOM 351 O ALA A 31 9.458 12.486 -4.522 1.00 0.83 O ATOM 352 CB ALA A 31 7.186 13.466 -2.600 1.00 0.82 C ATOM 0 H ALA A 31 5.242 12.528 -3.799 1.00 0.65 H new ATOM 0 HA ALA A 31 7.460 14.121 -4.620 1.00 0.73 H new ATOM 0 HB1 ALA A 31 8.176 13.784 -2.274 1.00 0.82 H new ATOM 0 HB2 ALA A 31 6.463 14.251 -2.380 1.00 0.82 H new ATOM 0 HB3 ALA A 31 6.905 12.555 -2.071 1.00 0.82 H new ATOM 358 N VAL A 32 7.854 10.912 -4.636 1.00 0.76 N ATOM 359 CA VAL A 32 8.789 9.840 -4.963 1.00 0.87 C ATOM 360 C VAL A 32 8.970 9.678 -6.472 1.00 0.91 C ATOM 361 O VAL A 32 9.902 9.007 -6.919 1.00 1.03 O ATOM 362 CB VAL A 32 8.351 8.491 -4.356 1.00 1.04 C ATOM 363 CG1 VAL A 32 6.929 8.156 -4.759 1.00 1.07 C ATOM 364 CG2 VAL A 32 9.306 7.377 -4.768 1.00 1.23 C ATOM 0 H VAL A 32 6.879 10.620 -4.574 1.00 0.76 H new ATOM 0 HA VAL A 32 9.744 10.131 -4.525 1.00 0.87 H new ATOM 0 HB VAL A 32 8.383 8.582 -3.270 1.00 1.04 H new ATOM 0 HG11 VAL A 32 6.642 7.201 -4.320 1.00 1.07 H new ATOM 0 HG12 VAL A 32 6.256 8.936 -4.403 1.00 1.07 H new ATOM 0 HG13 VAL A 32 6.865 8.090 -5.845 1.00 1.07 H new ATOM 0 HG21 VAL A 32 8.978 6.435 -4.328 1.00 1.23 H new ATOM 0 HG22 VAL A 32 9.314 7.287 -5.854 1.00 1.23 H new ATOM 0 HG23 VAL A 32 10.311 7.611 -4.416 1.00 1.23 H new ATOM 368 N GLN A 33 8.086 10.285 -7.256 1.00 0.90 N ATOM 369 CA GLN A 33 8.173 10.183 -8.709 1.00 1.04 C ATOM 370 C GLN A 33 8.253 11.556 -9.376 1.00 1.07 C ATOM 371 O GLN A 33 7.589 11.802 -10.383 1.00 1.22 O ATOM 372 CB GLN A 33 6.983 9.397 -9.258 1.00 1.22 C ATOM 373 CG GLN A 33 7.360 8.410 -10.350 1.00 1.37 C ATOM 374 CD GLN A 33 8.236 7.281 -9.840 1.00 1.19 C ATOM 375 OE1 GLN A 33 9.307 7.513 -9.280 1.00 1.67 O ATOM 376 NE2 GLN A 33 7.783 6.050 -10.035 1.00 1.88 N ATOM 0 H GLN A 33 7.307 10.848 -6.914 1.00 0.90 H new ATOM 0 HA GLN A 33 9.095 9.651 -8.944 1.00 1.04 H new ATOM 0 HB2 GLN A 33 6.506 8.857 -8.440 1.00 1.22 H new ATOM 0 HB3 GLN A 33 6.245 10.097 -9.651 1.00 1.22 H new ATOM 0 HG2 GLN A 33 6.453 7.992 -10.786 1.00 1.37 H new ATOM 0 HG3 GLN A 33 7.883 8.938 -11.147 1.00 1.37 H new ATOM 0 HE21 GLN A 33 6.889 5.904 -10.504 1.00 1.88 H new ATOM 0 HE22 GLN A 33 8.328 5.249 -9.716 1.00 1.88 H new ATOM 383 N PRO A 34 9.077 12.474 -8.834 1.00 1.04 N ATOM 384 CA PRO A 34 9.237 13.816 -9.402 1.00 1.23 C ATOM 385 C PRO A 34 9.928 13.788 -10.763 1.00 1.50 C ATOM 386 O PRO A 34 9.875 14.762 -11.515 1.00 1.84 O ATOM 387 CB PRO A 34 10.112 14.540 -8.374 1.00 1.29 C ATOM 388 CG PRO A 34 10.853 13.454 -7.675 1.00 1.15 C ATOM 389 CD PRO A 34 9.924 12.273 -7.644 1.00 0.96 C ATOM 0 HA PRO A 34 8.276 14.300 -9.577 1.00 1.23 H new ATOM 0 HB2 PRO A 34 10.796 15.238 -8.858 1.00 1.29 H new ATOM 0 HB3 PRO A 34 9.507 15.119 -7.676 1.00 1.29 H new ATOM 0 HG2 PRO A 34 11.776 13.211 -8.201 1.00 1.15 H new ATOM 0 HG3 PRO A 34 11.131 13.758 -6.666 1.00 1.15 H new ATOM 0 HD2 PRO A 34 10.470 11.331 -7.694 1.00 0.96 H new ATOM 0 HD3 PRO A 34 9.332 12.251 -6.729 1.00 0.96 H new ATOM 397 N GLU A 35 10.575 12.667 -11.074 1.00 1.43 N ATOM 398 CA GLU A 35 11.275 12.515 -12.346 1.00 1.69 C ATOM 399 C GLU A 35 10.419 11.749 -13.351 1.00 1.95 C ATOM 400 O GLU A 35 10.131 12.245 -14.441 1.00 2.55 O ATOM 401 CB GLU A 35 12.609 11.795 -12.134 1.00 1.58 C ATOM 402 CG GLU A 35 13.822 12.683 -12.365 1.00 2.20 C ATOM 403 CD GLU A 35 14.907 12.469 -11.329 1.00 2.95 C ATOM 404 OE1 GLU A 35 14.565 12.171 -10.165 1.00 3.47 O ATOM 405 OE2 GLU A 35 16.098 12.601 -11.680 1.00 3.53 O ATOM 0 H GLU A 35 10.629 11.852 -10.463 1.00 1.43 H new ATOM 0 HA GLU A 35 11.468 13.509 -12.748 1.00 1.69 H new ATOM 0 HB2 GLU A 35 12.644 11.403 -11.117 1.00 1.58 H new ATOM 0 HB3 GLU A 35 12.662 10.939 -12.807 1.00 1.58 H new ATOM 0 HG2 GLU A 35 14.228 12.486 -13.357 1.00 2.20 H new ATOM 0 HG3 GLU A 35 13.511 13.728 -12.350 1.00 2.20 H new ATOM 412 N GLY A 36 10.013 10.537 -12.979 1.00 1.77 N ATOM 413 CA GLY A 36 9.192 9.728 -13.862 1.00 2.19 C ATOM 414 C GLY A 36 9.687 8.297 -13.979 1.00 1.74 C ATOM 415 O GLY A 36 10.588 8.007 -14.765 1.00 1.77 O ATOM 0 H GLY A 36 10.238 10.102 -12.084 1.00 1.77 H new ATOM 0 HA2 GLY A 36 8.166 9.724 -13.494 1.00 2.19 H new ATOM 0 HA3 GLY A 36 9.174 10.183 -14.852 1.00 2.19 H new ATOM 419 N ASN A 37 9.091 7.401 -13.196 1.00 2.06 N ATOM 420 CA ASN A 37 9.469 5.992 -13.217 1.00 2.08 C ATOM 421 C ASN A 37 8.230 5.100 -13.207 1.00 1.73 C ATOM 422 O ASN A 37 7.312 5.310 -12.417 1.00 1.94 O ATOM 423 CB ASN A 37 10.362 5.663 -12.019 1.00 3.12 C ATOM 424 CG ASN A 37 11.832 5.878 -12.319 1.00 3.90 C ATOM 425 OD1 ASN A 37 12.532 6.575 -11.585 1.00 4.50 O ATOM 426 ND2 ASN A 37 12.309 5.277 -13.403 1.00 4.34 N ATOM 0 H ASN A 37 8.344 7.627 -12.539 1.00 2.06 H new ATOM 0 HA ASN A 37 10.025 5.802 -14.135 1.00 2.08 H new ATOM 0 HB2 ASN A 37 10.072 6.284 -11.172 1.00 3.12 H new ATOM 0 HB3 ASN A 37 10.202 4.626 -11.724 1.00 3.12 H new ATOM 0 HD21 ASN A 37 13.292 5.384 -13.655 1.00 4.34 H new ATOM 0 HD22 ASN A 37 11.693 4.708 -13.983 1.00 4.34 H new ATOM 431 N GLU A 38 8.208 4.107 -14.089 1.00 1.77 N ATOM 432 CA GLU A 38 7.075 3.190 -14.179 1.00 1.76 C ATOM 433 C GLU A 38 6.919 2.375 -12.897 1.00 1.90 C ATOM 434 O GLU A 38 7.894 1.851 -12.359 1.00 2.28 O ATOM 435 CB GLU A 38 7.245 2.252 -15.376 1.00 2.18 C ATOM 436 CG GLU A 38 8.596 1.555 -15.416 1.00 2.12 C ATOM 437 CD GLU A 38 8.647 0.445 -16.448 1.00 2.42 C ATOM 438 OE1 GLU A 38 8.262 0.694 -17.610 1.00 2.81 O ATOM 439 OE2 GLU A 38 9.071 -0.675 -16.093 1.00 2.88 O ATOM 0 H GLU A 38 8.960 3.916 -14.751 1.00 1.77 H new ATOM 0 HA GLU A 38 6.173 3.786 -14.316 1.00 1.76 H new ATOM 0 HB2 GLU A 38 6.458 1.499 -15.351 1.00 2.18 H new ATOM 0 HB3 GLU A 38 7.112 2.822 -16.295 1.00 2.18 H new ATOM 0 HG2 GLU A 38 9.373 2.287 -15.636 1.00 2.12 H new ATOM 0 HG3 GLU A 38 8.817 1.142 -14.432 1.00 2.12 H new ATOM 446 N VAL A 39 5.681 2.271 -12.417 1.00 1.79 N ATOM 447 CA VAL A 39 5.385 1.516 -11.201 1.00 2.04 C ATOM 448 C VAL A 39 3.887 1.518 -10.910 1.00 1.58 C ATOM 449 O VAL A 39 3.197 2.505 -11.168 1.00 1.86 O ATOM 450 CB VAL A 39 6.140 2.071 -9.970 1.00 2.80 C ATOM 451 CG1 VAL A 39 7.380 1.240 -9.684 1.00 3.56 C ATOM 452 CG2 VAL A 39 6.511 3.535 -10.165 1.00 3.20 C ATOM 0 H VAL A 39 4.865 2.701 -12.853 1.00 1.79 H new ATOM 0 HA VAL A 39 5.724 0.496 -11.381 1.00 2.04 H new ATOM 0 HB VAL A 39 5.472 2.006 -9.111 1.00 2.80 H new ATOM 0 HG11 VAL A 39 7.898 1.646 -8.815 1.00 3.56 H new ATOM 0 HG12 VAL A 39 7.089 0.209 -9.484 1.00 3.56 H new ATOM 0 HG13 VAL A 39 8.044 1.268 -10.548 1.00 3.56 H new ATOM 0 HG21 VAL A 39 7.040 3.897 -9.283 1.00 3.20 H new ATOM 0 HG22 VAL A 39 7.153 3.634 -11.040 1.00 3.20 H new ATOM 0 HG23 VAL A 39 5.605 4.124 -10.311 1.00 3.20 H new ATOM 456 N GLU A 40 3.386 0.406 -10.376 1.00 1.19 N ATOM 457 CA GLU A 40 1.966 0.286 -10.062 1.00 0.87 C ATOM 458 C GLU A 40 1.743 -0.355 -8.693 1.00 0.72 C ATOM 459 O GLU A 40 2.100 -1.515 -8.471 1.00 0.71 O ATOM 460 CB GLU A 40 1.255 -0.533 -11.139 1.00 0.85 C ATOM 461 CG GLU A 40 1.902 -1.884 -11.403 1.00 0.98 C ATOM 462 CD GLU A 40 1.066 -3.041 -10.894 1.00 1.62 C ATOM 463 OE1 GLU A 40 -0.173 -2.992 -11.048 1.00 2.10 O ATOM 464 OE2 GLU A 40 1.649 -3.997 -10.340 1.00 2.29 O ATOM 0 H GLU A 40 3.940 -0.421 -10.153 1.00 1.19 H new ATOM 0 HA GLU A 40 1.549 1.293 -10.034 1.00 0.87 H new ATOM 0 HB2 GLU A 40 0.218 -0.688 -10.840 1.00 0.85 H new ATOM 0 HB3 GLU A 40 1.237 0.039 -12.066 1.00 0.85 H new ATOM 0 HG2 GLU A 40 2.064 -2.002 -12.474 1.00 0.98 H new ATOM 0 HG3 GLU A 40 2.882 -1.912 -10.927 1.00 0.98 H new ATOM 471 N MET A 41 1.135 0.404 -7.784 1.00 0.77 N ATOM 472 CA MET A 41 0.844 -0.088 -6.439 1.00 0.73 C ATOM 473 C MET A 41 -0.634 0.098 -6.112 1.00 0.68 C ATOM 474 O MET A 41 -1.270 1.036 -6.589 1.00 0.72 O ATOM 475 CB MET A 41 1.705 0.627 -5.383 1.00 0.88 C ATOM 476 CG MET A 41 2.397 1.889 -5.880 1.00 1.06 C ATOM 477 SD MET A 41 2.637 3.109 -4.571 1.00 1.42 S ATOM 478 CE MET A 41 4.238 2.623 -3.931 1.00 1.11 C ATOM 0 H MET A 41 0.834 1.363 -7.955 1.00 0.77 H new ATOM 0 HA MET A 41 1.086 -1.151 -6.416 1.00 0.73 H new ATOM 0 HB2 MET A 41 1.074 0.885 -4.533 1.00 0.88 H new ATOM 0 HB3 MET A 41 2.462 -0.068 -5.019 1.00 0.88 H new ATOM 0 HG2 MET A 41 3.364 1.625 -6.307 1.00 1.06 H new ATOM 0 HG3 MET A 41 1.805 2.332 -6.681 1.00 1.06 H new ATOM 0 HE1 MET A 41 4.520 3.287 -3.114 1.00 1.11 H new ATOM 0 HE2 MET A 41 4.187 1.598 -3.564 1.00 1.11 H new ATOM 0 HE3 MET A 41 4.982 2.688 -4.725 1.00 1.11 H new ATOM 488 N THR A 42 -1.179 -0.799 -5.295 1.00 0.81 N ATOM 489 CA THR A 42 -2.585 -0.715 -4.913 1.00 0.79 C ATOM 490 C THR A 42 -2.755 -0.867 -3.405 1.00 0.77 C ATOM 491 O THR A 42 -1.864 -1.363 -2.717 1.00 1.11 O ATOM 492 CB THR A 42 -3.409 -1.777 -5.645 1.00 0.95 C ATOM 493 OG1 THR A 42 -2.663 -2.357 -6.702 1.00 0.97 O ATOM 494 CG2 THR A 42 -4.691 -1.232 -6.237 1.00 1.61 C ATOM 0 H THR A 42 -0.674 -1.586 -4.888 1.00 0.81 H new ATOM 0 HA THR A 42 -2.948 0.271 -5.201 1.00 0.79 H new ATOM 0 HB THR A 42 -3.659 -2.519 -4.887 1.00 0.95 H new ATOM 0 HG1 THR A 42 -1.817 -2.707 -6.352 1.00 0.97 H new ATOM 0 HG21 THR A 42 -5.229 -2.035 -6.742 1.00 1.61 H new ATOM 0 HG22 THR A 42 -5.314 -0.822 -5.442 1.00 1.61 H new ATOM 0 HG23 THR A 42 -4.455 -0.446 -6.954 1.00 1.61 H new ATOM 499 N VAL A 43 -3.908 -0.437 -2.900 1.00 0.65 N ATOM 500 CA VAL A 43 -4.205 -0.524 -1.472 1.00 0.64 C ATOM 501 C VAL A 43 -5.712 -0.596 -1.236 1.00 0.58 C ATOM 502 O VAL A 43 -6.464 0.293 -1.646 1.00 0.71 O ATOM 503 CB VAL A 43 -3.622 0.669 -0.675 1.00 0.75 C ATOM 504 CG1 VAL A 43 -2.495 0.204 0.235 1.00 1.53 C ATOM 505 CG2 VAL A 43 -3.137 1.771 -1.605 1.00 1.51 C ATOM 0 H VAL A 43 -4.654 -0.024 -3.459 1.00 0.65 H new ATOM 0 HA VAL A 43 -3.730 -1.437 -1.113 1.00 0.64 H new ATOM 0 HB VAL A 43 -4.421 1.080 -0.058 1.00 0.75 H new ATOM 0 HG11 VAL A 43 -2.098 1.056 0.787 1.00 1.53 H new ATOM 0 HG12 VAL A 43 -2.877 -0.537 0.937 1.00 1.53 H new ATOM 0 HG13 VAL A 43 -1.702 -0.240 -0.366 1.00 1.53 H new ATOM 0 HG21 VAL A 43 -2.734 2.594 -1.015 1.00 1.51 H new ATOM 0 HG22 VAL A 43 -2.359 1.378 -2.260 1.00 1.51 H new ATOM 0 HG23 VAL A 43 -3.971 2.131 -2.208 1.00 1.51 H new ATOM 509 N ARG A 44 -6.149 -1.667 -0.579 1.00 0.55 N ATOM 510 CA ARG A 44 -7.566 -1.865 -0.299 1.00 0.54 C ATOM 511 C ARG A 44 -7.854 -1.841 1.199 1.00 0.57 C ATOM 512 O ARG A 44 -7.339 -2.666 1.959 1.00 0.69 O ATOM 513 CB ARG A 44 -8.041 -3.190 -0.897 1.00 0.61 C ATOM 514 CG ARG A 44 -9.535 -3.232 -1.174 1.00 1.19 C ATOM 515 CD ARG A 44 -9.888 -4.341 -2.152 1.00 1.98 C ATOM 516 NE ARG A 44 -9.448 -4.033 -3.510 1.00 2.48 N ATOM 517 CZ ARG A 44 -9.255 -4.951 -4.454 1.00 3.13 C ATOM 518 NH1 ARG A 44 -9.466 -6.236 -4.196 1.00 3.54 N ATOM 519 NH2 ARG A 44 -8.849 -4.583 -5.662 1.00 3.77 N ATOM 0 H ARG A 44 -5.542 -2.410 -0.231 1.00 0.55 H new ATOM 0 HA ARG A 44 -8.111 -1.041 -0.759 1.00 0.54 H new ATOM 0 HB2 ARG A 44 -7.502 -3.373 -1.827 1.00 0.61 H new ATOM 0 HB3 ARG A 44 -7.784 -4.000 -0.215 1.00 0.61 H new ATOM 0 HG2 ARG A 44 -10.075 -3.383 -0.240 1.00 1.19 H new ATOM 0 HG3 ARG A 44 -9.859 -2.273 -1.578 1.00 1.19 H new ATOM 0 HD2 ARG A 44 -9.428 -5.273 -1.824 1.00 1.98 H new ATOM 0 HD3 ARG A 44 -10.966 -4.499 -2.147 1.00 1.98 H new ATOM 0 HE ARG A 44 -9.278 -3.056 -3.749 1.00 2.48 H new ATOM 0 HH11 ARG A 44 -9.778 -6.526 -3.269 1.00 3.54 H new ATOM 0 HH12 ARG A 44 -9.316 -6.934 -4.925 1.00 3.54 H new ATOM 0 HH21 ARG A 44 -8.685 -3.597 -5.867 1.00 3.77 H new ATOM 0 HH22 ARG A 44 -8.701 -5.286 -6.386 1.00 3.77 H new ATOM 533 N ILE A 45 -8.692 -0.894 1.612 1.00 0.55 N ATOM 534 CA ILE A 45 -9.074 -0.758 3.013 1.00 0.61 C ATOM 535 C ILE A 45 -10.426 -1.423 3.264 1.00 0.59 C ATOM 536 O ILE A 45 -11.433 -1.039 2.669 1.00 0.60 O ATOM 537 CB ILE A 45 -9.168 0.722 3.438 1.00 0.71 C ATOM 538 CG1 ILE A 45 -8.114 1.568 2.718 1.00 0.59 C ATOM 539 CG2 ILE A 45 -9.016 0.849 4.944 1.00 0.94 C ATOM 540 CD1 ILE A 45 -6.692 1.254 3.135 1.00 0.63 C ATOM 0 H ILE A 45 -9.121 -0.207 0.992 1.00 0.55 H new ATOM 0 HA ILE A 45 -8.299 -1.246 3.603 1.00 0.61 H new ATOM 0 HB ILE A 45 -10.151 1.096 3.153 1.00 0.71 H new ATOM 0 HG12 ILE A 45 -8.210 1.415 1.643 1.00 0.59 H new ATOM 0 HG13 ILE A 45 -8.315 2.622 2.909 1.00 0.59 H new ATOM 0 HG21 ILE A 45 -9.084 1.899 5.229 1.00 0.94 H new ATOM 0 HG22 ILE A 45 -9.808 0.286 5.438 1.00 0.94 H new ATOM 0 HG23 ILE A 45 -8.046 0.453 5.246 1.00 0.94 H new ATOM 0 HD11 ILE A 45 -6.002 1.892 2.583 1.00 0.63 H new ATOM 0 HD12 ILE A 45 -6.578 1.435 4.204 1.00 0.63 H new ATOM 0 HD13 ILE A 45 -6.472 0.209 2.918 1.00 0.63 H new ATOM 544 N VAL A 46 -10.446 -2.420 4.143 1.00 0.63 N ATOM 545 CA VAL A 46 -11.684 -3.128 4.457 1.00 0.63 C ATOM 546 C VAL A 46 -11.482 -4.122 5.599 1.00 0.64 C ATOM 547 O VAL A 46 -10.357 -4.525 5.896 1.00 0.68 O ATOM 548 CB VAL A 46 -12.227 -3.869 3.218 1.00 0.70 C ATOM 549 CG1 VAL A 46 -11.186 -4.834 2.670 1.00 1.21 C ATOM 550 CG2 VAL A 46 -13.523 -4.598 3.546 1.00 1.52 C ATOM 0 H VAL A 46 -9.625 -2.755 4.648 1.00 0.63 H new ATOM 0 HA VAL A 46 -12.411 -2.379 4.771 1.00 0.63 H new ATOM 0 HB VAL A 46 -12.444 -3.129 2.448 1.00 0.70 H new ATOM 0 HG11 VAL A 46 -11.589 -5.346 1.796 1.00 1.21 H new ATOM 0 HG12 VAL A 46 -10.291 -4.281 2.385 1.00 1.21 H new ATOM 0 HG13 VAL A 46 -10.931 -5.567 3.435 1.00 1.21 H new ATOM 0 HG21 VAL A 46 -13.886 -5.113 2.656 1.00 1.52 H new ATOM 0 HG22 VAL A 46 -13.341 -5.325 4.337 1.00 1.52 H new ATOM 0 HG23 VAL A 46 -14.271 -3.878 3.879 1.00 1.52 H new ATOM 554 N ASP A 47 -12.584 -4.509 6.239 1.00 0.66 N ATOM 555 CA ASP A 47 -12.543 -5.452 7.355 1.00 0.71 C ATOM 556 C ASP A 47 -11.761 -6.712 6.998 1.00 0.74 C ATOM 557 O ASP A 47 -11.248 -6.845 5.887 1.00 0.81 O ATOM 558 CB ASP A 47 -13.965 -5.826 7.781 1.00 0.75 C ATOM 559 CG ASP A 47 -14.784 -6.383 6.634 1.00 1.35 C ATOM 560 OD1 ASP A 47 -15.007 -5.645 5.651 1.00 2.11 O ATOM 561 OD2 ASP A 47 -15.203 -7.556 6.719 1.00 1.88 O ATOM 0 H ASP A 47 -13.521 -4.182 6.002 1.00 0.66 H new ATOM 0 HA ASP A 47 -12.031 -4.962 8.183 1.00 0.71 H new ATOM 0 HB2 ASP A 47 -13.919 -6.563 8.583 1.00 0.75 H new ATOM 0 HB3 ASP A 47 -14.464 -4.945 8.186 1.00 0.75 H new ATOM 566 N GLU A 48 -11.674 -7.633 7.953 1.00 0.76 N ATOM 567 CA GLU A 48 -10.954 -8.885 7.751 1.00 0.82 C ATOM 568 C GLU A 48 -11.824 -9.905 7.023 1.00 0.79 C ATOM 569 O GLU A 48 -11.426 -10.451 5.995 1.00 0.83 O ATOM 570 CB GLU A 48 -10.493 -9.453 9.096 1.00 0.92 C ATOM 571 CG GLU A 48 -9.022 -9.204 9.392 1.00 1.39 C ATOM 572 CD GLU A 48 -8.523 -10.000 10.580 1.00 1.59 C ATOM 573 OE1 GLU A 48 -8.874 -11.195 10.685 1.00 1.81 O ATOM 574 OE2 GLU A 48 -7.780 -9.430 11.407 1.00 2.30 O ATOM 0 H GLU A 48 -12.095 -7.535 8.877 1.00 0.76 H new ATOM 0 HA GLU A 48 -10.080 -8.678 7.133 1.00 0.82 H new ATOM 0 HB2 GLU A 48 -11.094 -9.013 9.892 1.00 0.92 H new ATOM 0 HB3 GLU A 48 -10.681 -10.527 9.111 1.00 0.92 H new ATOM 0 HG2 GLU A 48 -8.430 -9.460 8.513 1.00 1.39 H new ATOM 0 HG3 GLU A 48 -8.868 -8.142 9.581 1.00 1.39 H new ATOM 581 N ALA A 49 -13.014 -10.159 7.562 1.00 0.86 N ATOM 582 CA ALA A 49 -13.939 -11.117 6.961 1.00 0.89 C ATOM 583 C ALA A 49 -14.149 -10.823 5.481 1.00 0.83 C ATOM 584 O ALA A 49 -13.896 -11.670 4.622 1.00 0.80 O ATOM 585 CB ALA A 49 -15.269 -11.102 7.700 1.00 0.99 C ATOM 0 H ALA A 49 -13.360 -9.716 8.413 1.00 0.86 H new ATOM 0 HA ALA A 49 -13.500 -12.111 7.047 1.00 0.89 H new ATOM 0 HB1 ALA A 49 -15.948 -11.821 7.241 1.00 0.99 H new ATOM 0 HB2 ALA A 49 -15.108 -11.370 8.744 1.00 0.99 H new ATOM 0 HB3 ALA A 49 -15.705 -10.104 7.645 1.00 0.99 H new ATOM 591 N GLU A 50 -14.608 -9.611 5.191 1.00 0.87 N ATOM 592 CA GLU A 50 -14.848 -9.192 3.815 1.00 0.88 C ATOM 593 C GLU A 50 -13.582 -9.355 2.983 1.00 0.84 C ATOM 594 O GLU A 50 -13.627 -9.836 1.850 1.00 0.85 O ATOM 595 CB GLU A 50 -15.317 -7.737 3.775 1.00 0.98 C ATOM 596 CG GLU A 50 -15.992 -7.352 2.468 1.00 1.52 C ATOM 597 CD GLU A 50 -17.127 -6.368 2.667 1.00 1.54 C ATOM 598 OE1 GLU A 50 -16.852 -5.153 2.749 1.00 2.17 O ATOM 599 OE2 GLU A 50 -18.293 -6.813 2.737 1.00 1.85 O ATOM 0 H GLU A 50 -14.822 -8.901 5.891 1.00 0.87 H new ATOM 0 HA GLU A 50 -15.630 -9.824 3.394 1.00 0.88 H new ATOM 0 HB2 GLU A 50 -16.011 -7.565 4.598 1.00 0.98 H new ATOM 0 HB3 GLU A 50 -14.460 -7.083 3.939 1.00 0.98 H new ATOM 0 HG2 GLU A 50 -15.252 -6.917 1.796 1.00 1.52 H new ATOM 0 HG3 GLU A 50 -16.375 -8.250 1.983 1.00 1.52 H new ATOM 606 N SER A 51 -12.452 -8.960 3.560 1.00 0.87 N ATOM 607 CA SER A 51 -11.168 -9.070 2.881 1.00 0.92 C ATOM 608 C SER A 51 -10.848 -10.529 2.587 1.00 0.84 C ATOM 609 O SER A 51 -10.720 -10.930 1.433 1.00 0.83 O ATOM 610 CB SER A 51 -10.059 -8.458 3.737 1.00 1.04 C ATOM 611 OG SER A 51 -9.879 -7.086 3.435 1.00 1.90 O ATOM 0 H SER A 51 -12.400 -8.561 4.497 1.00 0.87 H new ATOM 0 HA SER A 51 -11.229 -8.524 1.939 1.00 0.92 H new ATOM 0 HB2 SER A 51 -10.306 -8.572 4.793 1.00 1.04 H new ATOM 0 HB3 SER A 51 -9.126 -8.996 3.568 1.00 1.04 H new ATOM 0 HG SER A 51 -9.284 -6.680 4.099 1.00 1.90 H new ATOM 617 N HIS A 52 -10.725 -11.323 3.645 1.00 0.86 N ATOM 618 CA HIS A 52 -10.426 -12.745 3.508 1.00 0.86 C ATOM 619 C HIS A 52 -11.357 -13.397 2.498 1.00 0.83 C ATOM 620 O HIS A 52 -10.909 -13.975 1.510 1.00 0.90 O ATOM 621 CB HIS A 52 -10.542 -13.438 4.863 1.00 0.94 C ATOM 622 CG HIS A 52 -9.848 -12.694 5.955 1.00 0.99 C ATOM 623 ND1 HIS A 52 -8.756 -11.885 5.727 1.00 1.39 N ATOM 624 CD2 HIS A 52 -10.097 -12.622 7.283 1.00 1.61 C ATOM 625 CE1 HIS A 52 -8.363 -11.350 6.864 1.00 1.28 C ATOM 626 NE2 HIS A 52 -9.161 -11.778 7.827 1.00 1.39 N ATOM 0 H HIS A 52 -10.828 -11.006 4.609 1.00 0.86 H new ATOM 0 HA HIS A 52 -9.404 -12.850 3.145 1.00 0.86 H new ATOM 0 HB2 HIS A 52 -11.595 -13.551 5.119 1.00 0.94 H new ATOM 0 HB3 HIS A 52 -10.123 -14.441 4.790 1.00 0.94 H new ATOM 0 HD1 HIS A 52 -8.320 -11.725 4.819 1.00 1.39 H new ATOM 0 HD2 HIS A 52 -10.885 -13.133 7.816 1.00 1.61 H new ATOM 0 HE1 HIS A 52 -7.529 -10.675 6.989 1.00 1.28 H new ATOM 635 N GLU A 53 -12.659 -13.288 2.743 1.00 0.86 N ATOM 636 CA GLU A 53 -13.648 -13.859 1.838 1.00 0.95 C ATOM 637 C GLU A 53 -13.463 -13.298 0.432 1.00 0.94 C ATOM 638 O GLU A 53 -13.681 -13.991 -0.560 1.00 0.95 O ATOM 639 CB GLU A 53 -15.064 -13.565 2.337 1.00 1.10 C ATOM 640 CG GLU A 53 -15.477 -14.412 3.529 1.00 1.68 C ATOM 641 CD GLU A 53 -16.252 -13.621 4.566 1.00 2.38 C ATOM 642 OE1 GLU A 53 -16.845 -12.583 4.200 1.00 3.10 O ATOM 643 OE2 GLU A 53 -16.268 -14.040 5.742 1.00 2.71 O ATOM 0 H GLU A 53 -13.051 -12.812 3.556 1.00 0.86 H new ATOM 0 HA GLU A 53 -13.506 -14.939 1.809 1.00 0.95 H new ATOM 0 HB2 GLU A 53 -15.133 -12.512 2.609 1.00 1.10 H new ATOM 0 HB3 GLU A 53 -15.769 -13.731 1.522 1.00 1.10 H new ATOM 0 HG2 GLU A 53 -16.087 -15.246 3.183 1.00 1.68 H new ATOM 0 HG3 GLU A 53 -14.587 -14.838 3.993 1.00 1.68 H new ATOM 650 N LEU A 54 -13.056 -12.033 0.360 1.00 0.95 N ATOM 651 CA LEU A 54 -12.837 -11.370 -0.919 1.00 1.00 C ATOM 652 C LEU A 54 -11.608 -11.927 -1.629 1.00 0.89 C ATOM 653 O LEU A 54 -11.703 -12.433 -2.747 1.00 0.93 O ATOM 654 CB LEU A 54 -12.680 -9.863 -0.720 1.00 1.06 C ATOM 655 CG LEU A 54 -12.267 -9.079 -1.969 1.00 1.15 C ATOM 656 CD1 LEU A 54 -12.914 -9.665 -3.217 1.00 1.23 C ATOM 657 CD2 LEU A 54 -12.639 -7.616 -1.819 1.00 1.24 C ATOM 0 H LEU A 54 -12.871 -11.447 1.175 1.00 0.95 H new ATOM 0 HA LEU A 54 -13.710 -11.561 -1.543 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -13.625 -9.461 -0.354 1.00 1.06 H new ATOM 0 HB3 LEU A 54 -11.937 -9.691 0.059 1.00 1.06 H new ATOM 0 HG LEU A 54 -11.185 -9.157 -2.078 1.00 1.15 H new ATOM 0 HD11 LEU A 54 -12.605 -9.091 -4.091 1.00 1.23 H new ATOM 0 HD12 LEU A 54 -12.602 -10.703 -3.336 1.00 1.23 H new ATOM 0 HD13 LEU A 54 -13.999 -9.621 -3.119 1.00 1.23 H new ATOM 0 HD21 LEU A 54 -12.340 -7.071 -2.714 1.00 1.24 H new ATOM 0 HD22 LEU A 54 -13.717 -7.527 -1.683 1.00 1.24 H new ATOM 0 HD23 LEU A 54 -12.128 -7.198 -0.952 1.00 1.24 H new ATOM 663 N ASN A 55 -10.452 -11.832 -0.979 1.00 0.78 N ATOM 664 CA ASN A 55 -9.221 -12.331 -1.565 1.00 0.71 C ATOM 665 C ASN A 55 -9.382 -13.806 -1.906 1.00 0.69 C ATOM 666 O ASN A 55 -9.072 -14.241 -3.021 1.00 0.74 O ATOM 667 CB ASN A 55 -8.037 -12.115 -0.620 1.00 0.68 C ATOM 668 CG ASN A 55 -7.971 -10.702 -0.066 1.00 1.33 C ATOM 669 OD1 ASN A 55 -8.984 -10.013 0.043 1.00 2.28 O ATOM 670 ND2 ASN A 55 -6.765 -10.261 0.277 1.00 1.42 N ATOM 0 H ASN A 55 -10.346 -11.417 -0.053 1.00 0.78 H new ATOM 0 HA ASN A 55 -9.015 -11.776 -2.480 1.00 0.71 H new ATOM 0 HB2 ASN A 55 -8.106 -12.821 0.207 1.00 0.68 H new ATOM 0 HB3 ASN A 55 -7.111 -12.335 -1.151 1.00 0.68 H new ATOM 0 HD21 ASN A 55 -6.653 -9.317 0.647 1.00 1.42 H new ATOM 0 HD22 ASN A 55 -5.951 -10.866 0.170 1.00 1.42 H new ATOM 675 N LEU A 56 -9.911 -14.571 -0.957 1.00 0.71 N ATOM 676 CA LEU A 56 -10.153 -15.983 -1.190 1.00 0.79 C ATOM 677 C LEU A 56 -11.140 -16.133 -2.339 1.00 0.87 C ATOM 678 O LEU A 56 -11.044 -17.061 -3.141 1.00 0.97 O ATOM 679 CB LEU A 56 -10.684 -16.668 0.069 1.00 0.84 C ATOM 680 CG LEU A 56 -9.607 -17.283 0.963 1.00 0.89 C ATOM 681 CD1 LEU A 56 -8.716 -16.198 1.544 1.00 0.91 C ATOM 682 CD2 LEU A 56 -10.238 -18.105 2.074 1.00 0.92 C ATOM 0 H LEU A 56 -10.177 -14.238 -0.030 1.00 0.71 H new ATOM 0 HA LEU A 56 -9.212 -16.467 -1.450 1.00 0.79 H new ATOM 0 HB2 LEU A 56 -11.249 -15.940 0.652 1.00 0.84 H new ATOM 0 HB3 LEU A 56 -11.382 -17.451 -0.227 1.00 0.84 H new ATOM 0 HG LEU A 56 -8.993 -17.946 0.354 1.00 0.89 H new ATOM 0 HD11 LEU A 56 -7.955 -16.653 2.178 1.00 0.91 H new ATOM 0 HD12 LEU A 56 -8.234 -15.651 0.734 1.00 0.91 H new ATOM 0 HD13 LEU A 56 -9.319 -15.511 2.138 1.00 0.91 H new ATOM 0 HD21 LEU A 56 -9.455 -18.534 2.699 1.00 0.92 H new ATOM 0 HD22 LEU A 56 -10.877 -17.465 2.682 1.00 0.92 H new ATOM 0 HD23 LEU A 56 -10.835 -18.907 1.639 1.00 0.92 H new ATOM 688 N THR A 57 -12.066 -15.179 -2.432 1.00 0.93 N ATOM 689 CA THR A 57 -13.040 -15.175 -3.510 1.00 1.09 C ATOM 690 C THR A 57 -12.316 -14.908 -4.826 1.00 1.14 C ATOM 691 O THR A 57 -12.720 -15.393 -5.882 1.00 1.27 O ATOM 692 CB THR A 57 -14.128 -14.117 -3.259 1.00 1.23 C ATOM 693 OG1 THR A 57 -15.132 -14.630 -2.404 1.00 1.51 O ATOM 694 CG2 THR A 57 -14.813 -13.636 -4.522 1.00 1.45 C ATOM 0 H THR A 57 -12.158 -14.405 -1.775 1.00 0.93 H new ATOM 0 HA THR A 57 -13.534 -16.146 -3.558 1.00 1.09 H new ATOM 0 HB THR A 57 -13.605 -13.274 -2.807 1.00 1.23 H new ATOM 0 HG1 THR A 57 -14.972 -14.319 -1.488 1.00 1.51 H new ATOM 0 HG21 THR A 57 -15.567 -12.892 -4.266 1.00 1.45 H new ATOM 0 HG22 THR A 57 -14.075 -13.190 -5.189 1.00 1.45 H new ATOM 0 HG23 THR A 57 -15.290 -14.479 -5.021 1.00 1.45 H new ATOM 699 N TYR A 58 -11.225 -14.145 -4.742 1.00 1.08 N ATOM 700 CA TYR A 58 -10.425 -13.828 -5.916 1.00 1.17 C ATOM 701 C TYR A 58 -9.680 -15.071 -6.386 1.00 1.08 C ATOM 702 O TYR A 58 -9.644 -15.365 -7.581 1.00 1.19 O ATOM 703 CB TYR A 58 -9.412 -12.719 -5.614 1.00 1.25 C ATOM 704 CG TYR A 58 -10.005 -11.330 -5.508 1.00 1.20 C ATOM 705 CD1 TYR A 58 -10.924 -10.861 -6.437 1.00 1.25 C ATOM 706 CD2 TYR A 58 -9.629 -10.483 -4.476 1.00 1.67 C ATOM 707 CE1 TYR A 58 -11.450 -9.586 -6.335 1.00 1.55 C ATOM 708 CE2 TYR A 58 -10.146 -9.211 -4.363 1.00 2.23 C ATOM 709 CZ TYR A 58 -11.058 -8.764 -5.297 1.00 2.11 C ATOM 710 OH TYR A 58 -11.579 -7.495 -5.192 1.00 2.74 O ATOM 0 H TYR A 58 -10.879 -13.738 -3.873 1.00 1.08 H new ATOM 0 HA TYR A 58 -11.100 -13.480 -6.698 1.00 1.17 H new ATOM 0 HB2 TYR A 58 -8.904 -12.955 -4.679 1.00 1.25 H new ATOM 0 HB3 TYR A 58 -8.653 -12.716 -6.396 1.00 1.25 H new ATOM 0 HD1 TYR A 58 -11.232 -11.501 -7.251 1.00 1.25 H new ATOM 0 HD2 TYR A 58 -8.914 -10.829 -3.744 1.00 1.67 H new ATOM 0 HE1 TYR A 58 -12.165 -9.235 -7.064 1.00 1.55 H new ATOM 0 HE2 TYR A 58 -9.840 -8.569 -3.550 1.00 2.23 H new ATOM 0 HH TYR A 58 -12.484 -7.481 -5.567 1.00 2.74 H new ATOM 720 N ARG A 59 -9.075 -15.799 -5.443 1.00 0.99 N ATOM 721 CA ARG A 59 -8.327 -17.007 -5.804 1.00 0.99 C ATOM 722 C ARG A 59 -8.224 -18.020 -4.656 1.00 0.90 C ATOM 723 O ARG A 59 -8.183 -19.227 -4.898 1.00 0.97 O ATOM 724 CB ARG A 59 -6.922 -16.619 -6.279 1.00 1.05 C ATOM 725 CG ARG A 59 -5.961 -17.793 -6.393 1.00 1.58 C ATOM 726 CD ARG A 59 -5.260 -18.066 -5.071 1.00 1.65 C ATOM 727 NE ARG A 59 -3.838 -18.352 -5.258 1.00 2.22 N ATOM 728 CZ ARG A 59 -2.893 -18.047 -4.370 1.00 2.71 C ATOM 729 NH1 ARG A 59 -3.207 -17.445 -3.230 1.00 3.08 N ATOM 730 NH2 ARG A 59 -1.626 -18.347 -4.625 1.00 3.32 N ATOM 0 H ARG A 59 -9.086 -15.581 -4.447 1.00 0.99 H new ATOM 0 HA ARG A 59 -8.881 -17.495 -6.606 1.00 0.99 H new ATOM 0 HB2 ARG A 59 -7.000 -16.131 -7.251 1.00 1.05 H new ATOM 0 HB3 ARG A 59 -6.505 -15.887 -5.587 1.00 1.05 H new ATOM 0 HG2 ARG A 59 -6.507 -18.683 -6.708 1.00 1.58 H new ATOM 0 HG3 ARG A 59 -5.219 -17.584 -7.164 1.00 1.58 H new ATOM 0 HD2 ARG A 59 -5.374 -17.203 -4.415 1.00 1.65 H new ATOM 0 HD3 ARG A 59 -5.738 -18.910 -4.574 1.00 1.65 H new ATOM 0 HE ARG A 59 -3.552 -18.813 -6.122 1.00 2.22 H new ATOM 0 HH11 ARG A 59 -4.179 -17.212 -3.027 1.00 3.08 H new ATOM 0 HH12 ARG A 59 -2.476 -17.216 -2.556 1.00 3.08 H new ATOM 0 HH21 ARG A 59 -1.378 -18.810 -5.499 1.00 3.32 H new ATOM 0 HH22 ARG A 59 -0.900 -18.115 -3.947 1.00 3.32 H new ATOM 744 N GLY A 60 -8.164 -17.540 -3.417 1.00 0.81 N ATOM 745 CA GLY A 60 -8.043 -18.446 -2.282 1.00 0.80 C ATOM 746 C GLY A 60 -6.711 -18.285 -1.573 1.00 0.78 C ATOM 747 O GLY A 60 -6.005 -19.261 -1.319 1.00 0.88 O ATOM 0 H GLY A 60 -8.196 -16.549 -3.177 1.00 0.81 H new ATOM 0 HA2 GLY A 60 -8.854 -18.258 -1.579 1.00 0.80 H new ATOM 0 HA3 GLY A 60 -8.150 -19.475 -2.625 1.00 0.80 H new ATOM 751 N LYS A 61 -6.370 -17.039 -1.273 1.00 0.76 N ATOM 752 CA LYS A 61 -5.113 -16.702 -0.610 1.00 0.90 C ATOM 753 C LYS A 61 -5.121 -17.077 0.876 1.00 0.95 C ATOM 754 O LYS A 61 -5.943 -17.875 1.324 1.00 1.42 O ATOM 755 CB LYS A 61 -4.821 -15.213 -0.792 1.00 1.17 C ATOM 756 CG LYS A 61 -5.969 -14.321 -0.368 1.00 1.31 C ATOM 757 CD LYS A 61 -5.633 -13.532 0.886 1.00 1.00 C ATOM 758 CE LYS A 61 -6.027 -14.287 2.145 1.00 1.42 C ATOM 759 NZ LYS A 61 -7.082 -13.573 2.915 1.00 2.13 N ATOM 0 H LYS A 61 -6.956 -16.231 -1.482 1.00 0.76 H new ATOM 0 HA LYS A 61 -4.321 -17.288 -1.076 1.00 0.90 H new ATOM 0 HB2 LYS A 61 -3.934 -14.951 -0.215 1.00 1.17 H new ATOM 0 HB3 LYS A 61 -4.588 -15.021 -1.839 1.00 1.17 H new ATOM 0 HG2 LYS A 61 -6.213 -13.632 -1.177 1.00 1.31 H new ATOM 0 HG3 LYS A 61 -6.856 -14.929 -0.189 1.00 1.31 H new ATOM 0 HD2 LYS A 61 -4.564 -13.320 0.908 1.00 1.00 H new ATOM 0 HD3 LYS A 61 -6.148 -12.572 0.861 1.00 1.00 H new ATOM 0 HE2 LYS A 61 -6.385 -15.281 1.875 1.00 1.42 H new ATOM 0 HE3 LYS A 61 -5.148 -14.425 2.775 1.00 1.42 H new ATOM 0 HZ1 LYS A 61 -7.786 -14.258 3.256 1.00 2.13 H new ATOM 0 HZ2 LYS A 61 -6.650 -13.087 3.727 1.00 2.13 H new ATOM 0 HZ3 LYS A 61 -7.548 -12.875 2.301 1.00 2.13 H new ATOM 773 N ASP A 62 -4.159 -16.517 1.611 1.00 1.17 N ATOM 774 CA ASP A 62 -3.975 -16.781 3.040 1.00 1.25 C ATOM 775 C ASP A 62 -5.270 -16.659 3.863 1.00 1.66 C ATOM 776 O ASP A 62 -6.368 -16.896 3.364 1.00 2.50 O ATOM 777 CB ASP A 62 -2.899 -15.840 3.597 1.00 1.84 C ATOM 778 CG ASP A 62 -1.669 -15.772 2.711 1.00 2.50 C ATOM 779 OD1 ASP A 62 -1.804 -15.360 1.540 1.00 2.95 O ATOM 780 OD2 ASP A 62 -0.572 -16.130 3.189 1.00 3.06 O ATOM 0 H ASP A 62 -3.479 -15.861 1.228 1.00 1.17 H new ATOM 0 HA ASP A 62 -3.659 -17.820 3.133 1.00 1.25 H new ATOM 0 HB2 ASP A 62 -3.318 -14.840 3.708 1.00 1.84 H new ATOM 0 HB3 ASP A 62 -2.607 -16.176 4.592 1.00 1.84 H new ATOM 785 N ARG A 63 -5.115 -16.326 5.147 1.00 1.71 N ATOM 786 CA ARG A 63 -6.233 -16.212 6.075 1.00 2.49 C ATOM 787 C ARG A 63 -6.102 -14.902 6.876 1.00 2.22 C ATOM 788 O ARG A 63 -5.402 -13.999 6.418 1.00 1.77 O ATOM 789 CB ARG A 63 -6.210 -17.456 6.970 1.00 3.33 C ATOM 790 CG ARG A 63 -7.516 -18.238 6.970 1.00 4.23 C ATOM 791 CD ARG A 63 -7.621 -19.145 8.186 1.00 4.88 C ATOM 792 NE ARG A 63 -7.397 -20.547 7.843 1.00 5.84 N ATOM 793 CZ ARG A 63 -8.302 -21.317 7.243 1.00 6.66 C ATOM 794 NH1 ARG A 63 -9.488 -20.822 6.910 1.00 6.76 N ATOM 795 NH2 ARG A 63 -8.019 -22.583 6.971 1.00 7.66 N ATOM 0 H ARG A 63 -4.208 -16.128 5.569 1.00 1.71 H new ATOM 0 HA ARG A 63 -7.192 -16.168 5.559 1.00 2.49 H new ATOM 0 HB2 ARG A 63 -5.404 -18.113 6.642 1.00 3.33 H new ATOM 0 HB3 ARG A 63 -5.979 -17.153 7.991 1.00 3.33 H new ATOM 0 HG2 ARG A 63 -8.357 -17.544 6.958 1.00 4.23 H new ATOM 0 HG3 ARG A 63 -7.583 -18.836 6.061 1.00 4.23 H new ATOM 0 HD2 ARG A 63 -6.892 -18.834 8.935 1.00 4.88 H new ATOM 0 HD3 ARG A 63 -8.607 -19.035 8.636 1.00 4.88 H new ATOM 0 HE ARG A 63 -6.494 -20.960 8.077 1.00 5.84 H new ATOM 0 HH11 ARG A 63 -9.709 -19.847 7.114 1.00 6.76 H new ATOM 0 HH12 ARG A 63 -10.178 -21.416 6.450 1.00 6.76 H new ATOM 0 HH21 ARG A 63 -7.108 -22.967 7.221 1.00 7.66 H new ATOM 0 HH22 ARG A 63 -8.712 -23.173 6.511 1.00 7.66 H new ATOM 809 N PRO A 64 -6.738 -14.740 8.076 1.00 3.04 N ATOM 810 CA PRO A 64 -6.624 -13.510 8.870 1.00 3.30 C ATOM 811 C PRO A 64 -5.247 -12.885 8.757 1.00 2.79 C ATOM 812 O PRO A 64 -4.246 -13.471 9.167 1.00 3.00 O ATOM 813 CB PRO A 64 -6.895 -13.984 10.309 1.00 4.45 C ATOM 814 CG PRO A 64 -7.123 -15.455 10.198 1.00 4.81 C ATOM 815 CD PRO A 64 -7.595 -15.685 8.795 1.00 4.12 C ATOM 0 HA PRO A 64 -7.314 -12.737 8.533 1.00 3.30 H new ATOM 0 HB2 PRO A 64 -6.050 -13.764 10.962 1.00 4.45 H new ATOM 0 HB3 PRO A 64 -7.764 -13.481 10.732 1.00 4.45 H new ATOM 0 HG2 PRO A 64 -6.207 -16.010 10.399 1.00 4.81 H new ATOM 0 HG3 PRO A 64 -7.865 -15.792 10.921 1.00 4.81 H new ATOM 0 HD2 PRO A 64 -7.445 -16.714 8.469 1.00 4.12 H new ATOM 0 HD3 PRO A 64 -8.655 -15.463 8.671 1.00 4.12 H new ATOM 823 N THR A 65 -5.204 -11.704 8.166 1.00 2.27 N ATOM 824 CA THR A 65 -3.952 -11.010 7.959 1.00 2.01 C ATOM 825 C THR A 65 -4.144 -9.495 8.008 1.00 1.59 C ATOM 826 O THR A 65 -4.693 -8.899 7.080 1.00 1.81 O ATOM 827 CB THR A 65 -3.376 -11.442 6.610 1.00 2.13 C ATOM 828 OG1 THR A 65 -3.063 -12.823 6.623 1.00 2.47 O ATOM 829 CG2 THR A 65 -2.125 -10.698 6.224 1.00 2.82 C ATOM 0 H THR A 65 -6.025 -11.207 7.821 1.00 2.27 H new ATOM 0 HA THR A 65 -3.257 -11.269 8.758 1.00 2.01 H new ATOM 0 HB THR A 65 -4.152 -11.214 5.880 1.00 2.13 H new ATOM 0 HG1 THR A 65 -3.773 -13.324 6.169 1.00 2.47 H new ATOM 0 HG21 THR A 65 -1.773 -11.056 5.257 1.00 2.82 H new ATOM 0 HG22 THR A 65 -2.341 -9.632 6.159 1.00 2.82 H new ATOM 0 HG23 THR A 65 -1.354 -10.867 6.976 1.00 2.82 H new ATOM 834 N ASN A 66 -3.684 -8.878 9.094 1.00 1.36 N ATOM 835 CA ASN A 66 -3.799 -7.432 9.266 1.00 1.09 C ATOM 836 C ASN A 66 -3.228 -6.698 8.058 1.00 0.83 C ATOM 837 O ASN A 66 -3.849 -5.779 7.526 1.00 1.09 O ATOM 838 CB ASN A 66 -3.077 -6.989 10.540 1.00 1.37 C ATOM 839 CG ASN A 66 -1.593 -7.297 10.501 1.00 1.54 C ATOM 840 OD1 ASN A 66 -1.184 -8.451 10.619 1.00 2.36 O ATOM 841 ND2 ASN A 66 -0.779 -6.262 10.334 1.00 1.35 N ATOM 0 H ASN A 66 -3.227 -9.358 9.869 1.00 1.36 H new ATOM 0 HA ASN A 66 -4.856 -7.182 9.354 1.00 1.09 H new ATOM 0 HB2 ASN A 66 -3.219 -5.918 10.681 1.00 1.37 H new ATOM 0 HB3 ASN A 66 -3.526 -7.486 11.400 1.00 1.37 H new ATOM 0 HD21 ASN A 66 0.230 -6.407 10.299 1.00 1.35 H new ATOM 0 HD22 ASN A 66 -1.162 -5.321 10.240 1.00 1.35 H new ATOM 846 N VAL A 67 -2.045 -7.119 7.624 1.00 0.71 N ATOM 847 CA VAL A 67 -1.398 -6.511 6.470 1.00 0.79 C ATOM 848 C VAL A 67 -1.431 -7.458 5.281 1.00 0.79 C ATOM 849 O VAL A 67 -0.396 -7.829 4.726 1.00 0.81 O ATOM 850 CB VAL A 67 0.059 -6.114 6.772 1.00 1.12 C ATOM 851 CG1 VAL A 67 0.106 -4.959 7.762 1.00 1.59 C ATOM 852 CG2 VAL A 67 0.841 -7.309 7.296 1.00 1.51 C ATOM 0 H VAL A 67 -1.516 -7.878 8.054 1.00 0.71 H new ATOM 0 HA VAL A 67 -1.954 -5.605 6.231 1.00 0.79 H new ATOM 0 HB VAL A 67 0.525 -5.783 5.844 1.00 1.12 H new ATOM 0 HG11 VAL A 67 1.144 -4.693 7.962 1.00 1.59 H new ATOM 0 HG12 VAL A 67 -0.414 -4.098 7.342 1.00 1.59 H new ATOM 0 HG13 VAL A 67 -0.378 -5.257 8.692 1.00 1.59 H new ATOM 0 HG21 VAL A 67 1.868 -7.009 7.504 1.00 1.51 H new ATOM 0 HG22 VAL A 67 0.377 -7.674 8.212 1.00 1.51 H new ATOM 0 HG23 VAL A 67 0.839 -8.102 6.548 1.00 1.51 H new ATOM 856 N LEU A 68 -2.639 -7.838 4.901 1.00 0.86 N ATOM 857 CA LEU A 68 -2.851 -8.738 3.781 1.00 0.89 C ATOM 858 C LEU A 68 -2.772 -7.976 2.465 1.00 0.81 C ATOM 859 O LEU A 68 -3.354 -6.903 2.330 1.00 0.75 O ATOM 860 CB LEU A 68 -4.217 -9.402 3.926 1.00 0.99 C ATOM 861 CG LEU A 68 -4.585 -10.410 2.844 1.00 1.22 C ATOM 862 CD1 LEU A 68 -3.822 -11.712 3.033 1.00 2.06 C ATOM 863 CD2 LEU A 68 -6.083 -10.658 2.870 1.00 1.10 C ATOM 0 H LEU A 68 -3.498 -7.532 5.359 1.00 0.86 H new ATOM 0 HA LEU A 68 -2.073 -9.502 3.779 1.00 0.89 H new ATOM 0 HB2 LEU A 68 -4.254 -9.905 4.892 1.00 0.99 H new ATOM 0 HB3 LEU A 68 -4.979 -8.622 3.943 1.00 0.99 H new ATOM 0 HG LEU A 68 -4.307 -10.002 1.872 1.00 1.22 H new ATOM 0 HD11 LEU A 68 -4.102 -12.415 2.248 1.00 2.06 H new ATOM 0 HD12 LEU A 68 -2.751 -11.517 2.980 1.00 2.06 H new ATOM 0 HD13 LEU A 68 -4.066 -12.138 4.006 1.00 2.06 H new ATOM 0 HD21 LEU A 68 -6.346 -11.379 2.096 1.00 1.10 H new ATOM 0 HD22 LEU A 68 -6.370 -11.052 3.845 1.00 1.10 H new ATOM 0 HD23 LEU A 68 -6.610 -9.721 2.688 1.00 1.10 H new ATOM 869 N SER A 69 -2.043 -8.527 1.502 1.00 0.96 N ATOM 870 CA SER A 69 -1.892 -7.877 0.205 1.00 0.97 C ATOM 871 C SER A 69 -1.878 -8.900 -0.926 1.00 0.86 C ATOM 872 O SER A 69 -1.732 -10.100 -0.693 1.00 0.89 O ATOM 873 CB SER A 69 -0.607 -7.049 0.175 1.00 1.18 C ATOM 874 OG SER A 69 -0.346 -6.460 1.438 1.00 1.85 O ATOM 0 H SER A 69 -1.550 -9.416 1.593 1.00 0.96 H new ATOM 0 HA SER A 69 -2.748 -7.218 0.058 1.00 0.97 H new ATOM 0 HB2 SER A 69 0.231 -7.684 -0.113 1.00 1.18 H new ATOM 0 HB3 SER A 69 -0.691 -6.269 -0.582 1.00 1.18 H new ATOM 0 HG SER A 69 0.561 -6.090 1.445 1.00 1.85 H new ATOM 880 N PHE A 70 -2.029 -8.412 -2.154 1.00 0.81 N ATOM 881 CA PHE A 70 -2.033 -9.278 -3.325 1.00 0.82 C ATOM 882 C PHE A 70 -0.719 -9.157 -4.095 1.00 0.91 C ATOM 883 O PHE A 70 -0.540 -8.234 -4.894 1.00 1.03 O ATOM 884 CB PHE A 70 -3.209 -8.931 -4.239 1.00 0.89 C ATOM 885 CG PHE A 70 -4.401 -9.818 -4.029 1.00 0.96 C ATOM 886 CD1 PHE A 70 -4.374 -11.141 -4.438 1.00 1.81 C ATOM 887 CD2 PHE A 70 -5.545 -9.331 -3.418 1.00 1.16 C ATOM 888 CE1 PHE A 70 -5.467 -11.963 -4.242 1.00 2.03 C ATOM 889 CE2 PHE A 70 -6.639 -10.148 -3.217 1.00 1.33 C ATOM 890 CZ PHE A 70 -6.600 -11.465 -3.630 1.00 1.48 C ATOM 0 H PHE A 70 -2.150 -7.421 -2.362 1.00 0.81 H new ATOM 0 HA PHE A 70 -2.140 -10.308 -2.985 1.00 0.82 H new ATOM 0 HB2 PHE A 70 -3.500 -7.895 -4.068 1.00 0.89 H new ATOM 0 HB3 PHE A 70 -2.888 -9.005 -5.278 1.00 0.89 H new ATOM 0 HD1 PHE A 70 -3.489 -11.534 -4.915 1.00 1.81 H new ATOM 0 HD2 PHE A 70 -5.581 -8.301 -3.095 1.00 1.16 H new ATOM 0 HE1 PHE A 70 -5.435 -12.993 -4.567 1.00 2.03 H new ATOM 0 HE2 PHE A 70 -7.524 -9.758 -2.737 1.00 1.33 H new ATOM 0 HZ PHE A 70 -7.456 -12.105 -3.474 1.00 1.48 H new ATOM 900 N PRO A 71 0.220 -10.093 -3.859 1.00 0.95 N ATOM 901 CA PRO A 71 1.522 -10.096 -4.529 1.00 1.11 C ATOM 902 C PRO A 71 1.436 -10.621 -5.959 1.00 1.11 C ATOM 903 O PRO A 71 0.909 -11.708 -6.198 1.00 1.14 O ATOM 904 CB PRO A 71 2.353 -11.041 -3.665 1.00 1.18 C ATOM 905 CG PRO A 71 1.363 -12.001 -3.105 1.00 1.13 C ATOM 906 CD PRO A 71 0.086 -11.223 -2.916 1.00 0.95 C ATOM 0 HA PRO A 71 1.940 -9.094 -4.619 1.00 1.11 H new ATOM 0 HB2 PRO A 71 3.113 -11.553 -4.255 1.00 1.18 H new ATOM 0 HB3 PRO A 71 2.874 -10.501 -2.874 1.00 1.18 H new ATOM 0 HG2 PRO A 71 1.210 -12.842 -3.781 1.00 1.13 H new ATOM 0 HG3 PRO A 71 1.712 -12.413 -2.158 1.00 1.13 H new ATOM 0 HD2 PRO A 71 -0.790 -11.831 -3.142 1.00 0.95 H new ATOM 0 HD3 PRO A 71 -0.023 -10.876 -1.888 1.00 0.95 H new ATOM 914 N PHE A 72 1.961 -9.848 -6.903 1.00 1.22 N ATOM 915 CA PHE A 72 1.948 -10.238 -8.310 1.00 1.28 C ATOM 916 C PHE A 72 2.507 -11.650 -8.494 1.00 1.36 C ATOM 917 O PHE A 72 2.923 -12.293 -7.530 1.00 1.47 O ATOM 918 CB PHE A 72 2.755 -9.238 -9.145 1.00 1.36 C ATOM 919 CG PHE A 72 4.243 -9.352 -8.959 1.00 1.05 C ATOM 920 CD1 PHE A 72 4.821 -9.134 -7.719 1.00 1.65 C ATOM 921 CD2 PHE A 72 5.061 -9.683 -10.027 1.00 1.38 C ATOM 922 CE1 PHE A 72 6.187 -9.243 -7.548 1.00 1.83 C ATOM 923 CE2 PHE A 72 6.428 -9.794 -9.861 1.00 1.46 C ATOM 924 CZ PHE A 72 6.992 -9.573 -8.620 1.00 1.39 C ATOM 0 H PHE A 72 2.402 -8.946 -6.720 1.00 1.22 H new ATOM 0 HA PHE A 72 0.913 -10.234 -8.653 1.00 1.28 H new ATOM 0 HB2 PHE A 72 2.518 -9.384 -10.199 1.00 1.36 H new ATOM 0 HB3 PHE A 72 2.442 -8.227 -8.885 1.00 1.36 H new ATOM 0 HD1 PHE A 72 4.196 -8.876 -6.877 1.00 1.65 H new ATOM 0 HD2 PHE A 72 4.625 -9.856 -11.000 1.00 1.38 H new ATOM 0 HE1 PHE A 72 6.625 -9.070 -6.576 1.00 1.83 H new ATOM 0 HE2 PHE A 72 7.055 -10.053 -10.701 1.00 1.46 H new ATOM 0 HZ PHE A 72 8.061 -9.658 -8.488 1.00 1.39 H new ATOM 934 N GLU A 73 2.511 -12.127 -9.736 1.00 1.56 N ATOM 935 CA GLU A 73 3.016 -13.463 -10.039 1.00 1.67 C ATOM 936 C GLU A 73 4.529 -13.446 -10.233 1.00 1.31 C ATOM 937 O GLU A 73 5.138 -12.385 -10.366 1.00 1.43 O ATOM 938 CB GLU A 73 2.336 -14.015 -11.293 1.00 2.21 C ATOM 939 CG GLU A 73 2.526 -13.142 -12.523 1.00 2.25 C ATOM 940 CD GLU A 73 1.212 -12.655 -13.102 1.00 2.36 C ATOM 941 OE1 GLU A 73 0.604 -13.398 -13.901 1.00 2.89 O ATOM 942 OE2 GLU A 73 0.791 -11.530 -12.757 1.00 2.62 O ATOM 0 H GLU A 73 2.171 -11.610 -10.547 1.00 1.56 H new ATOM 0 HA GLU A 73 2.786 -14.110 -9.193 1.00 1.67 H new ATOM 0 HB2 GLU A 73 2.728 -15.011 -11.500 1.00 2.21 H new ATOM 0 HB3 GLU A 73 1.269 -14.127 -11.098 1.00 2.21 H new ATOM 0 HG2 GLU A 73 3.144 -12.283 -12.262 1.00 2.25 H new ATOM 0 HG3 GLU A 73 3.067 -13.705 -13.283 1.00 2.25 H new ATOM 949 N CYS A 74 5.131 -14.632 -10.248 1.00 1.48 N ATOM 950 CA CYS A 74 6.574 -14.758 -10.425 1.00 1.68 C ATOM 951 C CYS A 74 6.902 -15.529 -11.703 1.00 1.76 C ATOM 952 O CYS A 74 7.108 -16.742 -11.670 1.00 2.31 O ATOM 953 CB CYS A 74 7.197 -15.465 -9.219 1.00 2.63 C ATOM 954 SG CYS A 74 8.993 -15.649 -9.317 1.00 3.95 S ATOM 0 H CYS A 74 4.641 -15.520 -10.140 1.00 1.48 H new ATOM 0 HA CYS A 74 6.992 -13.755 -10.508 1.00 1.68 H new ATOM 0 HB2 CYS A 74 6.949 -14.907 -8.316 1.00 2.63 H new ATOM 0 HB3 CYS A 74 6.746 -16.452 -9.118 1.00 2.63 H new ATOM 0 HG CYS A 74 9.426 -16.256 -8.252 1.00 3.95 H new ATOM 960 N PRO A 75 6.950 -14.833 -12.854 1.00 1.68 N ATOM 961 CA PRO A 75 7.249 -15.461 -14.145 1.00 2.01 C ATOM 962 C PRO A 75 8.602 -16.167 -14.155 1.00 2.43 C ATOM 963 O PRO A 75 8.670 -17.396 -14.134 1.00 3.08 O ATOM 964 CB PRO A 75 7.247 -14.288 -15.138 1.00 2.13 C ATOM 965 CG PRO A 75 7.367 -13.061 -14.300 1.00 2.21 C ATOM 966 CD PRO A 75 6.712 -13.386 -12.990 1.00 1.89 C ATOM 0 HA PRO A 75 6.523 -16.237 -14.388 1.00 2.01 H new ATOM 0 HB2 PRO A 75 8.076 -14.367 -15.841 1.00 2.13 H new ATOM 0 HB3 PRO A 75 6.330 -14.273 -15.727 1.00 2.13 H new ATOM 0 HG2 PRO A 75 8.412 -12.788 -14.156 1.00 2.21 H new ATOM 0 HG3 PRO A 75 6.879 -12.212 -14.780 1.00 2.21 H new ATOM 0 HD2 PRO A 75 7.154 -12.825 -12.167 1.00 1.89 H new ATOM 0 HD3 PRO A 75 5.648 -13.151 -13.001 1.00 1.89 H new ATOM 974 N ASP A 76 9.675 -15.386 -14.197 1.00 2.55 N ATOM 975 CA ASP A 76 11.025 -15.942 -14.220 1.00 3.28 C ATOM 976 C ASP A 76 11.795 -15.583 -12.951 1.00 3.54 C ATOM 977 O ASP A 76 11.828 -16.355 -11.994 1.00 4.33 O ATOM 978 CB ASP A 76 11.778 -15.435 -15.450 1.00 3.70 C ATOM 979 CG ASP A 76 11.306 -16.093 -16.732 1.00 4.37 C ATOM 980 OD1 ASP A 76 10.143 -16.545 -16.774 1.00 4.93 O ATOM 981 OD2 ASP A 76 12.100 -16.156 -17.694 1.00 4.70 O ATOM 0 H ASP A 76 9.638 -14.367 -14.216 1.00 2.55 H new ATOM 0 HA ASP A 76 10.942 -17.028 -14.268 1.00 3.28 H new ATOM 0 HB2 ASP A 76 11.650 -14.356 -15.531 1.00 3.70 H new ATOM 0 HB3 ASP A 76 12.844 -15.621 -15.321 1.00 3.70 H new ATOM 986 N GLU A 77 12.417 -14.406 -12.951 1.00 3.34 N ATOM 987 CA GLU A 77 13.188 -13.948 -11.803 1.00 4.10 C ATOM 988 C GLU A 77 12.636 -12.630 -11.270 1.00 4.12 C ATOM 989 O GLU A 77 13.352 -11.862 -10.627 1.00 4.72 O ATOM 990 CB GLU A 77 14.662 -13.781 -12.182 1.00 4.59 C ATOM 991 CG GLU A 77 14.872 -13.111 -13.530 1.00 5.37 C ATOM 992 CD GLU A 77 15.183 -14.103 -14.632 1.00 6.17 C ATOM 993 OE1 GLU A 77 14.871 -15.300 -14.458 1.00 6.84 O ATOM 994 OE2 GLU A 77 15.737 -13.685 -15.670 1.00 6.39 O ATOM 0 H GLU A 77 12.401 -13.753 -13.735 1.00 3.34 H new ATOM 0 HA GLU A 77 13.106 -14.701 -11.019 1.00 4.10 H new ATOM 0 HB2 GLU A 77 15.162 -13.194 -11.412 1.00 4.59 H new ATOM 0 HB3 GLU A 77 15.138 -14.761 -12.195 1.00 4.59 H new ATOM 0 HG2 GLU A 77 13.977 -12.548 -13.795 1.00 5.37 H new ATOM 0 HG3 GLU A 77 15.688 -12.393 -13.451 1.00 5.37 H new ATOM 1001 N VAL A 78 11.357 -12.378 -11.540 1.00 3.88 N ATOM 1002 CA VAL A 78 10.693 -11.159 -11.089 1.00 4.32 C ATOM 1003 C VAL A 78 11.563 -9.924 -11.315 1.00 4.59 C ATOM 1004 O VAL A 78 11.612 -9.023 -10.476 1.00 4.66 O ATOM 1005 CB VAL A 78 10.310 -11.258 -9.598 1.00 4.22 C ATOM 1006 CG1 VAL A 78 9.453 -12.492 -9.360 1.00 3.62 C ATOM 1007 CG2 VAL A 78 11.550 -11.288 -8.714 1.00 4.61 C ATOM 0 H VAL A 78 10.757 -13.007 -12.073 1.00 3.88 H new ATOM 0 HA VAL A 78 9.786 -11.053 -11.684 1.00 4.32 H new ATOM 0 HB VAL A 78 9.733 -10.372 -9.333 1.00 4.22 H new ATOM 0 HG11 VAL A 78 9.188 -12.553 -8.304 1.00 3.62 H new ATOM 0 HG12 VAL A 78 8.545 -12.425 -9.959 1.00 3.62 H new ATOM 0 HG13 VAL A 78 10.011 -13.383 -9.646 1.00 3.62 H new ATOM 0 HG21 VAL A 78 11.250 -11.358 -7.668 1.00 4.61 H new ATOM 0 HG22 VAL A 78 12.162 -12.152 -8.975 1.00 4.61 H new ATOM 0 HG23 VAL A 78 12.127 -10.376 -8.866 1.00 4.61 H new ATOM 1011 N GLU A 79 12.246 -9.887 -12.454 1.00 5.02 N ATOM 1012 CA GLU A 79 13.113 -8.764 -12.789 1.00 5.37 C ATOM 1013 C GLU A 79 12.310 -7.586 -13.341 1.00 4.83 C ATOM 1014 O GLU A 79 12.605 -7.070 -14.419 1.00 5.25 O ATOM 1015 CB GLU A 79 14.173 -9.199 -13.803 1.00 6.47 C ATOM 1016 CG GLU A 79 15.460 -9.694 -13.163 1.00 7.05 C ATOM 1017 CD GLU A 79 16.567 -9.914 -14.175 1.00 7.91 C ATOM 1018 OE1 GLU A 79 16.507 -10.921 -14.912 1.00 8.13 O ATOM 1019 OE2 GLU A 79 17.495 -9.080 -14.232 1.00 8.58 O ATOM 0 H GLU A 79 12.216 -10.622 -13.161 1.00 5.02 H new ATOM 0 HA GLU A 79 13.606 -8.436 -11.874 1.00 5.37 H new ATOM 0 HB2 GLU A 79 13.761 -9.990 -14.430 1.00 6.47 H new ATOM 0 HB3 GLU A 79 14.403 -8.359 -14.459 1.00 6.47 H new ATOM 0 HG2 GLU A 79 15.792 -8.971 -12.418 1.00 7.05 H new ATOM 0 HG3 GLU A 79 15.264 -10.628 -12.636 1.00 7.05 H new ATOM 1026 N LEU A 80 11.301 -7.154 -12.587 1.00 4.12 N ATOM 1027 CA LEU A 80 10.467 -6.029 -12.993 1.00 3.69 C ATOM 1028 C LEU A 80 10.051 -5.208 -11.775 1.00 3.19 C ATOM 1029 O LEU A 80 10.161 -5.672 -10.640 1.00 2.62 O ATOM 1030 CB LEU A 80 9.227 -6.505 -13.760 1.00 3.48 C ATOM 1031 CG LEU A 80 8.758 -7.930 -13.454 1.00 3.52 C ATOM 1032 CD1 LEU A 80 7.324 -8.126 -13.926 1.00 4.01 C ATOM 1033 CD2 LEU A 80 9.678 -8.951 -14.109 1.00 3.62 C ATOM 0 H LEU A 80 11.043 -7.568 -11.691 1.00 4.12 H new ATOM 0 HA LEU A 80 11.056 -5.399 -13.660 1.00 3.69 H new ATOM 0 HB2 LEU A 80 8.407 -5.820 -13.547 1.00 3.48 H new ATOM 0 HB3 LEU A 80 9.434 -6.433 -14.828 1.00 3.48 H new ATOM 0 HG LEU A 80 8.794 -8.081 -12.375 1.00 3.52 H new ATOM 0 HD11 LEU A 80 7.003 -9.143 -13.702 1.00 4.01 H new ATOM 0 HD12 LEU A 80 6.672 -7.419 -13.413 1.00 4.01 H new ATOM 0 HD13 LEU A 80 7.268 -7.956 -15.001 1.00 4.01 H new ATOM 0 HD21 LEU A 80 9.327 -9.957 -13.879 1.00 3.62 H new ATOM 0 HD22 LEU A 80 9.675 -8.803 -15.189 1.00 3.62 H new ATOM 0 HD23 LEU A 80 10.692 -8.824 -13.728 1.00 3.62 H new ATOM 1039 N PRO A 81 9.577 -3.969 -11.990 1.00 3.80 N ATOM 1040 CA PRO A 81 9.161 -3.086 -10.896 1.00 3.74 C ATOM 1041 C PRO A 81 7.888 -3.574 -10.192 1.00 2.98 C ATOM 1042 O PRO A 81 7.968 -4.403 -9.289 1.00 3.21 O ATOM 1043 CB PRO A 81 8.944 -1.738 -11.592 1.00 4.99 C ATOM 1044 CG PRO A 81 8.625 -2.089 -13.004 1.00 5.53 C ATOM 1045 CD PRO A 81 9.424 -3.327 -13.311 1.00 4.94 C ATOM 0 HA PRO A 81 9.901 -3.042 -10.097 1.00 3.74 H new ATOM 0 HB2 PRO A 81 8.130 -1.180 -11.129 1.00 4.99 H new ATOM 0 HB3 PRO A 81 9.835 -1.113 -11.531 1.00 4.99 H new ATOM 0 HG2 PRO A 81 7.558 -2.272 -13.130 1.00 5.53 H new ATOM 0 HG3 PRO A 81 8.891 -1.275 -13.679 1.00 5.53 H new ATOM 0 HD2 PRO A 81 8.905 -3.976 -14.016 1.00 4.94 H new ATOM 0 HD3 PRO A 81 10.390 -3.083 -13.754 1.00 4.94 H new ATOM 1053 N LEU A 82 6.725 -3.058 -10.607 1.00 2.52 N ATOM 1054 CA LEU A 82 5.430 -3.429 -10.019 1.00 1.87 C ATOM 1055 C LEU A 82 5.463 -3.445 -8.491 1.00 1.58 C ATOM 1056 O LEU A 82 6.505 -3.647 -7.870 1.00 2.06 O ATOM 1057 CB LEU A 82 4.939 -4.787 -10.542 1.00 1.92 C ATOM 1058 CG LEU A 82 5.995 -5.885 -10.678 1.00 1.91 C ATOM 1059 CD1 LEU A 82 6.322 -6.493 -9.322 1.00 2.25 C ATOM 1060 CD2 LEU A 82 5.507 -6.960 -11.636 1.00 2.10 C ATOM 0 H LEU A 82 6.654 -2.372 -11.359 1.00 2.52 H new ATOM 0 HA LEU A 82 4.728 -2.656 -10.331 1.00 1.87 H new ATOM 0 HB2 LEU A 82 4.156 -5.147 -9.875 1.00 1.92 H new ATOM 0 HB3 LEU A 82 4.480 -4.632 -11.518 1.00 1.92 H new ATOM 0 HG LEU A 82 6.906 -5.440 -11.078 1.00 1.91 H new ATOM 0 HD11 LEU A 82 7.075 -7.271 -9.444 1.00 2.25 H new ATOM 0 HD12 LEU A 82 6.706 -5.718 -8.659 1.00 2.25 H new ATOM 0 HD13 LEU A 82 5.420 -6.926 -8.890 1.00 2.25 H new ATOM 0 HD21 LEU A 82 6.265 -7.738 -11.727 1.00 2.10 H new ATOM 0 HD22 LEU A 82 4.584 -7.396 -11.254 1.00 2.10 H new ATOM 0 HD23 LEU A 82 5.322 -6.518 -12.615 1.00 2.10 H new ATOM 1066 N LEU A 83 4.299 -3.234 -7.889 1.00 1.15 N ATOM 1067 CA LEU A 83 4.178 -3.229 -6.436 1.00 1.18 C ATOM 1068 C LEU A 83 3.091 -4.200 -5.977 1.00 1.05 C ATOM 1069 O LEU A 83 3.152 -4.733 -4.868 1.00 1.39 O ATOM 1070 CB LEU A 83 3.874 -1.819 -5.930 1.00 1.20 C ATOM 1071 CG LEU A 83 4.985 -0.793 -6.164 1.00 2.03 C ATOM 1072 CD1 LEU A 83 6.287 -1.261 -5.535 1.00 3.13 C ATOM 1073 CD2 LEU A 83 5.171 -0.538 -7.652 1.00 2.48 C ATOM 0 H LEU A 83 3.424 -3.064 -8.385 1.00 1.15 H new ATOM 0 HA LEU A 83 5.129 -3.555 -6.016 1.00 1.18 H new ATOM 0 HB2 LEU A 83 2.965 -1.464 -6.415 1.00 1.20 H new ATOM 0 HB3 LEU A 83 3.667 -1.870 -4.861 1.00 1.20 H new ATOM 0 HG LEU A 83 4.693 0.143 -5.689 1.00 2.03 H new ATOM 0 HD11 LEU A 83 7.064 -0.518 -5.712 1.00 3.13 H new ATOM 0 HD12 LEU A 83 6.147 -1.390 -4.462 1.00 3.13 H new ATOM 0 HD13 LEU A 83 6.585 -2.211 -5.979 1.00 3.13 H new ATOM 0 HD21 LEU A 83 5.965 0.194 -7.799 1.00 2.48 H new ATOM 0 HD22 LEU A 83 5.440 -1.470 -8.150 1.00 2.48 H new ATOM 0 HD23 LEU A 83 4.242 -0.155 -8.075 1.00 2.48 H new ATOM 1079 N GLY A 84 2.104 -4.434 -6.838 1.00 0.86 N ATOM 1080 CA GLY A 84 1.028 -5.352 -6.501 1.00 1.17 C ATOM 1081 C GLY A 84 -0.156 -4.670 -5.837 1.00 1.02 C ATOM 1082 O GLY A 84 -0.232 -3.438 -5.785 1.00 0.95 O ATOM 0 H GLY A 84 2.030 -4.006 -7.761 1.00 0.86 H new ATOM 0 HA2 GLY A 84 0.689 -5.852 -7.408 1.00 1.17 H new ATOM 0 HA3 GLY A 84 1.414 -6.125 -5.836 1.00 1.17 H new ATOM 1086 N ASP A 85 -1.087 -5.479 -5.331 1.00 1.00 N ATOM 1087 CA ASP A 85 -2.280 -4.960 -4.667 1.00 0.88 C ATOM 1088 C ASP A 85 -2.190 -5.163 -3.158 1.00 0.82 C ATOM 1089 O ASP A 85 -1.387 -5.963 -2.680 1.00 0.93 O ATOM 1090 CB ASP A 85 -3.534 -5.644 -5.220 1.00 0.86 C ATOM 1091 CG ASP A 85 -4.440 -4.681 -5.962 1.00 1.49 C ATOM 1092 OD1 ASP A 85 -5.317 -4.073 -5.316 1.00 2.12 O ATOM 1093 OD2 ASP A 85 -4.270 -4.535 -7.192 1.00 2.17 O ATOM 0 H ASP A 85 -1.037 -6.497 -5.369 1.00 1.00 H new ATOM 0 HA ASP A 85 -2.345 -3.890 -4.866 1.00 0.88 H new ATOM 0 HB2 ASP A 85 -3.238 -6.450 -5.891 1.00 0.86 H new ATOM 0 HB3 ASP A 85 -4.088 -6.100 -4.399 1.00 0.86 H new ATOM 1098 N LEU A 86 -3.013 -4.432 -2.406 1.00 0.73 N ATOM 1099 CA LEU A 86 -3.003 -4.546 -0.952 1.00 0.69 C ATOM 1100 C LEU A 86 -4.414 -4.676 -0.380 1.00 0.60 C ATOM 1101 O LEU A 86 -5.394 -4.242 -0.985 1.00 0.71 O ATOM 1102 CB LEU A 86 -2.300 -3.339 -0.327 1.00 0.82 C ATOM 1103 CG LEU A 86 -1.296 -3.675 0.776 1.00 0.94 C ATOM 1104 CD1 LEU A 86 0.114 -3.754 0.210 1.00 1.41 C ATOM 1105 CD2 LEU A 86 -1.368 -2.645 1.894 1.00 1.10 C ATOM 0 H LEU A 86 -3.687 -3.762 -2.777 1.00 0.73 H new ATOM 0 HA LEU A 86 -2.456 -5.455 -0.703 1.00 0.69 H new ATOM 0 HB2 LEU A 86 -1.782 -2.791 -1.114 1.00 0.82 H new ATOM 0 HB3 LEU A 86 -3.056 -2.669 0.083 1.00 0.82 H new ATOM 0 HG LEU A 86 -1.553 -4.650 1.190 1.00 0.94 H new ATOM 0 HD11 LEU A 86 0.814 -3.994 1.010 1.00 1.41 H new ATOM 0 HD12 LEU A 86 0.156 -4.530 -0.554 1.00 1.41 H new ATOM 0 HD13 LEU A 86 0.383 -2.795 -0.232 1.00 1.41 H new ATOM 0 HD21 LEU A 86 -0.647 -2.900 2.670 1.00 1.10 H new ATOM 0 HD22 LEU A 86 -1.137 -1.657 1.494 1.00 1.10 H new ATOM 0 HD23 LEU A 86 -2.372 -2.639 2.319 1.00 1.10 H new ATOM 1111 N VAL A 87 -4.487 -5.272 0.805 1.00 0.56 N ATOM 1112 CA VAL A 87 -5.745 -5.475 1.515 1.00 0.59 C ATOM 1113 C VAL A 87 -5.510 -5.321 3.014 1.00 0.66 C ATOM 1114 O VAL A 87 -5.319 -6.307 3.726 1.00 0.94 O ATOM 1115 CB VAL A 87 -6.334 -6.875 1.222 1.00 0.63 C ATOM 1116 CG1 VAL A 87 -7.463 -7.211 2.186 1.00 1.15 C ATOM 1117 CG2 VAL A 87 -6.815 -6.958 -0.219 1.00 1.15 C ATOM 0 H VAL A 87 -3.672 -5.630 1.303 1.00 0.56 H new ATOM 0 HA VAL A 87 -6.460 -4.728 1.170 1.00 0.59 H new ATOM 0 HB VAL A 87 -5.543 -7.611 1.367 1.00 0.63 H new ATOM 0 HG11 VAL A 87 -7.856 -8.201 1.955 1.00 1.15 H new ATOM 0 HG12 VAL A 87 -7.084 -7.201 3.208 1.00 1.15 H new ATOM 0 HG13 VAL A 87 -8.258 -6.472 2.087 1.00 1.15 H new ATOM 0 HG21 VAL A 87 -7.226 -7.949 -0.409 1.00 1.15 H new ATOM 0 HG22 VAL A 87 -7.586 -6.206 -0.389 1.00 1.15 H new ATOM 0 HG23 VAL A 87 -5.978 -6.778 -0.893 1.00 1.15 H new ATOM 1121 N ILE A 88 -5.487 -4.078 3.482 1.00 0.57 N ATOM 1122 CA ILE A 88 -5.229 -3.801 4.889 1.00 0.66 C ATOM 1123 C ILE A 88 -6.497 -3.835 5.741 1.00 0.74 C ATOM 1124 O ILE A 88 -7.612 -3.889 5.222 1.00 0.96 O ATOM 1125 CB ILE A 88 -4.512 -2.440 5.061 1.00 0.67 C ATOM 1126 CG1 ILE A 88 -3.328 -2.594 6.016 1.00 1.15 C ATOM 1127 CG2 ILE A 88 -5.464 -1.355 5.557 1.00 1.30 C ATOM 1128 CD1 ILE A 88 -2.031 -2.944 5.318 1.00 1.94 C ATOM 0 H ILE A 88 -5.643 -3.249 2.909 1.00 0.57 H new ATOM 0 HA ILE A 88 -4.578 -4.600 5.245 1.00 0.66 H new ATOM 0 HB ILE A 88 -4.147 -2.126 4.083 1.00 0.67 H new ATOM 0 HG12 ILE A 88 -3.194 -1.664 6.569 1.00 1.15 H new ATOM 0 HG13 ILE A 88 -3.559 -3.369 6.747 1.00 1.15 H new ATOM 0 HG21 ILE A 88 -4.921 -0.416 5.664 1.00 1.30 H new ATOM 0 HG22 ILE A 88 -6.274 -1.226 4.839 1.00 1.30 H new ATOM 0 HG23 ILE A 88 -5.878 -1.647 6.522 1.00 1.30 H new ATOM 0 HD11 ILE A 88 -1.234 -3.038 6.056 1.00 1.94 H new ATOM 0 HD12 ILE A 88 -2.147 -3.889 4.787 1.00 1.94 H new ATOM 0 HD13 ILE A 88 -1.777 -2.158 4.607 1.00 1.94 H new ATOM 1132 N CYS A 89 -6.300 -3.797 7.057 1.00 0.79 N ATOM 1133 CA CYS A 89 -7.406 -3.816 8.007 1.00 0.89 C ATOM 1134 C CYS A 89 -7.852 -2.393 8.335 1.00 0.78 C ATOM 1135 O CYS A 89 -7.046 -1.464 8.348 1.00 0.73 O ATOM 1136 CB CYS A 89 -6.995 -4.560 9.279 1.00 1.12 C ATOM 1137 SG CYS A 89 -8.360 -4.885 10.420 1.00 1.32 S ATOM 0 H CYS A 89 -5.378 -3.753 7.490 1.00 0.79 H new ATOM 0 HA CYS A 89 -8.248 -4.341 7.555 1.00 0.89 H new ATOM 0 HB2 CYS A 89 -6.536 -5.508 9.000 1.00 1.12 H new ATOM 0 HB3 CYS A 89 -6.233 -3.977 9.797 1.00 1.12 H new ATOM 0 HG CYS A 89 -7.912 -5.519 11.463 1.00 1.32 H new ATOM 1143 N ARG A 90 -9.147 -2.231 8.574 1.00 0.91 N ATOM 1144 CA ARG A 90 -9.722 -0.922 8.870 1.00 0.91 C ATOM 1145 C ARG A 90 -9.625 -0.548 10.352 1.00 0.81 C ATOM 1146 O ARG A 90 -10.033 0.546 10.743 1.00 0.99 O ATOM 1147 CB ARG A 90 -11.185 -0.887 8.405 1.00 1.14 C ATOM 1148 CG ARG A 90 -12.189 -1.360 9.451 1.00 2.09 C ATOM 1149 CD ARG A 90 -11.937 -2.802 9.855 1.00 2.56 C ATOM 1150 NE ARG A 90 -13.157 -3.464 10.313 1.00 3.28 N ATOM 1151 CZ ARG A 90 -13.217 -4.749 10.663 1.00 4.16 C ATOM 1152 NH1 ARG A 90 -12.130 -5.509 10.611 1.00 4.50 N ATOM 1153 NH2 ARG A 90 -14.366 -5.272 11.066 1.00 5.12 N ATOM 0 H ARG A 90 -9.824 -2.994 8.569 1.00 0.91 H new ATOM 0 HA ARG A 90 -9.138 -0.180 8.325 1.00 0.91 H new ATOM 0 HB2 ARG A 90 -11.436 0.132 8.112 1.00 1.14 H new ATOM 0 HB3 ARG A 90 -11.286 -1.508 7.515 1.00 1.14 H new ATOM 0 HG2 ARG A 90 -12.128 -0.719 10.331 1.00 2.09 H new ATOM 0 HG3 ARG A 90 -13.200 -1.264 9.056 1.00 2.09 H new ATOM 0 HD2 ARG A 90 -11.524 -3.349 9.007 1.00 2.56 H new ATOM 0 HD3 ARG A 90 -11.189 -2.831 10.648 1.00 2.56 H new ATOM 0 HE ARG A 90 -14.012 -2.911 10.368 1.00 3.28 H new ATOM 0 HH11 ARG A 90 -11.243 -5.110 10.302 1.00 4.50 H new ATOM 0 HH12 ARG A 90 -12.181 -6.492 10.880 1.00 4.50 H new ATOM 0 HH21 ARG A 90 -15.204 -4.691 11.108 1.00 5.12 H new ATOM 0 HH22 ARG A 90 -14.413 -6.255 11.334 1.00 5.12 H new ATOM 1167 N GLN A 91 -9.116 -1.451 11.181 1.00 0.66 N ATOM 1168 CA GLN A 91 -9.016 -1.183 12.614 1.00 0.63 C ATOM 1169 C GLN A 91 -7.587 -0.859 13.054 1.00 0.58 C ATOM 1170 O GLN A 91 -7.385 -0.178 14.058 1.00 0.58 O ATOM 1171 CB GLN A 91 -9.538 -2.380 13.408 1.00 0.69 C ATOM 1172 CG GLN A 91 -11.045 -2.374 13.597 1.00 0.83 C ATOM 1173 CD GLN A 91 -11.578 -3.707 14.087 1.00 0.80 C ATOM 1174 OE1 GLN A 91 -10.978 -4.349 14.948 1.00 1.35 O ATOM 1175 NE2 GLN A 91 -12.712 -4.128 13.538 1.00 1.12 N ATOM 0 H GLN A 91 -8.769 -2.366 10.892 1.00 0.66 H new ATOM 0 HA GLN A 91 -9.627 -0.303 12.816 1.00 0.63 H new ATOM 0 HB2 GLN A 91 -9.248 -3.298 12.897 1.00 0.69 H new ATOM 0 HB3 GLN A 91 -9.058 -2.394 14.386 1.00 0.69 H new ATOM 0 HG2 GLN A 91 -11.315 -1.595 14.310 1.00 0.83 H new ATOM 0 HG3 GLN A 91 -11.525 -2.121 12.652 1.00 0.83 H new ATOM 0 HE21 GLN A 91 -13.175 -3.562 12.827 1.00 1.12 H new ATOM 0 HE22 GLN A 91 -13.119 -5.017 13.828 1.00 1.12 H new ATOM 1182 N VAL A 92 -6.599 -1.363 12.325 1.00 0.58 N ATOM 1183 CA VAL A 92 -5.202 -1.133 12.687 1.00 0.60 C ATOM 1184 C VAL A 92 -4.674 0.214 12.187 1.00 0.55 C ATOM 1185 O VAL A 92 -4.160 1.012 12.975 1.00 0.65 O ATOM 1186 CB VAL A 92 -4.290 -2.270 12.174 1.00 0.66 C ATOM 1187 CG1 VAL A 92 -4.334 -2.368 10.657 1.00 1.47 C ATOM 1188 CG2 VAL A 92 -2.862 -2.071 12.660 1.00 1.68 C ATOM 0 H VAL A 92 -6.735 -1.929 11.487 1.00 0.58 H new ATOM 0 HA VAL A 92 -5.177 -1.117 13.777 1.00 0.60 H new ATOM 0 HB VAL A 92 -4.664 -3.210 12.580 1.00 0.66 H new ATOM 0 HG11 VAL A 92 -3.683 -3.177 10.326 1.00 1.47 H new ATOM 0 HG12 VAL A 92 -5.356 -2.570 10.335 1.00 1.47 H new ATOM 0 HG13 VAL A 92 -3.995 -1.428 10.222 1.00 1.47 H new ATOM 0 HG21 VAL A 92 -2.235 -2.882 12.289 1.00 1.68 H new ATOM 0 HG22 VAL A 92 -2.481 -1.119 12.290 1.00 1.68 H new ATOM 0 HG23 VAL A 92 -2.845 -2.070 13.750 1.00 1.68 H new ATOM 1192 N VAL A 93 -4.790 0.470 10.887 1.00 0.48 N ATOM 1193 CA VAL A 93 -4.300 1.727 10.322 1.00 0.49 C ATOM 1194 C VAL A 93 -5.183 2.897 10.751 1.00 0.54 C ATOM 1195 O VAL A 93 -4.682 3.944 11.166 1.00 0.61 O ATOM 1196 CB VAL A 93 -4.179 1.680 8.769 1.00 0.51 C ATOM 1197 CG1 VAL A 93 -4.125 0.246 8.264 1.00 0.55 C ATOM 1198 CG2 VAL A 93 -5.310 2.441 8.085 1.00 0.69 C ATOM 0 H VAL A 93 -5.213 -0.166 10.211 1.00 0.48 H new ATOM 0 HA VAL A 93 -3.295 1.875 10.718 1.00 0.49 H new ATOM 0 HB VAL A 93 -3.242 2.174 8.511 1.00 0.51 H new ATOM 0 HG11 VAL A 93 -4.041 0.246 7.177 1.00 0.55 H new ATOM 0 HG12 VAL A 93 -3.261 -0.259 8.695 1.00 0.55 H new ATOM 0 HG13 VAL A 93 -5.035 -0.278 8.557 1.00 0.55 H new ATOM 0 HG21 VAL A 93 -5.186 2.382 7.004 1.00 0.69 H new ATOM 0 HG22 VAL A 93 -6.267 2.000 8.365 1.00 0.69 H new ATOM 0 HG23 VAL A 93 -5.286 3.485 8.397 1.00 0.69 H new ATOM 1202 N GLU A 94 -6.495 2.711 10.657 1.00 0.59 N ATOM 1203 CA GLU A 94 -7.437 3.751 11.046 1.00 0.69 C ATOM 1204 C GLU A 94 -7.258 4.114 12.514 1.00 0.67 C ATOM 1205 O GLU A 94 -7.198 5.291 12.868 1.00 0.75 O ATOM 1206 CB GLU A 94 -8.874 3.294 10.798 1.00 0.78 C ATOM 1207 CG GLU A 94 -9.912 4.351 11.139 1.00 1.31 C ATOM 1208 CD GLU A 94 -10.873 3.899 12.220 1.00 1.58 C ATOM 1209 OE1 GLU A 94 -11.102 2.676 12.339 1.00 1.98 O ATOM 1210 OE2 GLU A 94 -11.398 4.767 12.950 1.00 2.25 O ATOM 0 H GLU A 94 -6.928 1.853 10.316 1.00 0.59 H new ATOM 0 HA GLU A 94 -7.237 4.633 10.438 1.00 0.69 H new ATOM 0 HB2 GLU A 94 -8.982 3.014 9.750 1.00 0.78 H new ATOM 0 HB3 GLU A 94 -9.070 2.399 11.389 1.00 0.78 H new ATOM 0 HG2 GLU A 94 -9.406 5.260 11.465 1.00 1.31 H new ATOM 0 HG3 GLU A 94 -10.475 4.605 10.241 1.00 1.31 H new ATOM 1217 N ARG A 95 -7.163 3.096 13.365 1.00 0.59 N ATOM 1218 CA ARG A 95 -6.981 3.323 14.791 1.00 0.61 C ATOM 1219 C ARG A 95 -5.613 3.936 15.054 1.00 0.70 C ATOM 1220 O ARG A 95 -5.480 4.867 15.848 1.00 0.77 O ATOM 1221 CB ARG A 95 -7.127 2.016 15.572 1.00 0.60 C ATOM 1222 CG ARG A 95 -7.107 2.204 17.080 1.00 0.87 C ATOM 1223 CD ARG A 95 -7.256 0.878 17.810 1.00 1.58 C ATOM 1224 NE ARG A 95 -8.163 0.981 18.951 1.00 2.18 N ATOM 1225 CZ ARG A 95 -8.741 -0.067 19.534 1.00 2.92 C ATOM 1226 NH1 ARG A 95 -8.509 -1.295 19.089 1.00 3.31 N ATOM 1227 NH2 ARG A 95 -9.554 0.115 20.566 1.00 3.75 N ATOM 0 H ARG A 95 -7.209 2.114 13.093 1.00 0.59 H new ATOM 0 HA ARG A 95 -7.753 4.015 15.128 1.00 0.61 H new ATOM 0 HB2 ARG A 95 -8.062 1.534 15.287 1.00 0.60 H new ATOM 0 HB3 ARG A 95 -6.320 1.340 15.288 1.00 0.60 H new ATOM 0 HG2 ARG A 95 -6.172 2.680 17.376 1.00 0.87 H new ATOM 0 HG3 ARG A 95 -7.914 2.875 17.375 1.00 0.87 H new ATOM 0 HD2 ARG A 95 -7.628 0.123 17.118 1.00 1.58 H new ATOM 0 HD3 ARG A 95 -6.278 0.541 18.153 1.00 1.58 H new ATOM 0 HE ARG A 95 -8.365 1.909 19.322 1.00 2.18 H new ATOM 0 HH11 ARG A 95 -7.885 -1.440 18.296 1.00 3.31 H new ATOM 0 HH12 ARG A 95 -8.955 -2.094 19.540 1.00 3.31 H new ATOM 0 HH21 ARG A 95 -9.736 1.057 20.912 1.00 3.75 H new ATOM 0 HH22 ARG A 95 -9.997 -0.687 21.014 1.00 3.75 H new ATOM 1241 N GLU A 96 -4.597 3.414 14.373 1.00 0.73 N ATOM 1242 CA GLU A 96 -3.239 3.918 14.528 1.00 0.86 C ATOM 1243 C GLU A 96 -3.169 5.397 14.159 1.00 0.90 C ATOM 1244 O GLU A 96 -2.592 6.203 14.889 1.00 1.05 O ATOM 1245 CB GLU A 96 -2.271 3.116 13.657 1.00 0.93 C ATOM 1246 CG GLU A 96 -1.686 1.901 14.357 1.00 1.34 C ATOM 1247 CD GLU A 96 -0.289 2.152 14.890 1.00 1.68 C ATOM 1248 OE1 GLU A 96 0.426 2.993 14.306 1.00 1.89 O ATOM 1249 OE2 GLU A 96 0.090 1.508 15.890 1.00 2.50 O ATOM 0 H GLU A 96 -4.689 2.644 13.710 1.00 0.73 H new ATOM 0 HA GLU A 96 -2.950 3.805 15.573 1.00 0.86 H new ATOM 0 HB2 GLU A 96 -2.791 2.790 12.756 1.00 0.93 H new ATOM 0 HB3 GLU A 96 -1.458 3.768 13.338 1.00 0.93 H new ATOM 0 HG2 GLU A 96 -2.339 1.612 15.181 1.00 1.34 H new ATOM 0 HG3 GLU A 96 -1.660 1.063 13.661 1.00 1.34 H new ATOM 1256 N ALA A 97 -3.762 5.745 13.020 1.00 0.83 N ATOM 1257 CA ALA A 97 -3.767 7.126 12.550 1.00 0.92 C ATOM 1258 C ALA A 97 -4.678 8.002 13.405 1.00 1.00 C ATOM 1259 O ALA A 97 -4.250 9.027 13.933 1.00 1.19 O ATOM 1260 CB ALA A 97 -4.197 7.180 11.092 1.00 0.87 C ATOM 0 H ALA A 97 -4.245 5.089 12.406 1.00 0.83 H new ATOM 0 HA ALA A 97 -2.753 7.516 12.638 1.00 0.92 H new ATOM 0 HB1 ALA A 97 -4.197 8.215 10.751 1.00 0.87 H new ATOM 0 HB2 ALA A 97 -3.502 6.599 10.486 1.00 0.87 H new ATOM 0 HB3 ALA A 97 -5.200 6.765 10.993 1.00 0.87 H new ATOM 1266 N SER A 98 -5.937 7.594 13.531 1.00 0.92 N ATOM 1267 CA SER A 98 -6.909 8.347 14.316 1.00 1.01 C ATOM 1268 C SER A 98 -6.439 8.518 15.758 1.00 1.07 C ATOM 1269 O SER A 98 -6.749 9.517 16.406 1.00 1.18 O ATOM 1270 CB SER A 98 -8.271 7.651 14.286 1.00 0.99 C ATOM 1271 OG SER A 98 -8.342 6.623 15.259 1.00 1.50 O ATOM 0 H SER A 98 -6.308 6.747 13.100 1.00 0.92 H new ATOM 0 HA SER A 98 -7.006 9.337 13.870 1.00 1.01 H new ATOM 0 HB2 SER A 98 -9.060 8.381 14.466 1.00 0.99 H new ATOM 0 HB3 SER A 98 -8.446 7.231 13.296 1.00 0.99 H new ATOM 0 HG SER A 98 -9.223 6.196 15.220 1.00 1.50 H new ATOM 1277 N GLU A 99 -5.688 7.540 16.255 1.00 1.04 N ATOM 1278 CA GLU A 99 -5.177 7.590 17.620 1.00 1.13 C ATOM 1279 C GLU A 99 -3.895 8.414 17.691 1.00 1.27 C ATOM 1280 O GLU A 99 -3.730 9.248 18.582 1.00 1.45 O ATOM 1281 CB GLU A 99 -4.916 6.178 18.147 1.00 1.07 C ATOM 1282 CG GLU A 99 -4.623 6.131 19.638 1.00 1.76 C ATOM 1283 CD GLU A 99 -3.556 5.113 19.991 1.00 2.27 C ATOM 1284 OE1 GLU A 99 -2.565 5.008 19.238 1.00 2.88 O ATOM 1285 OE2 GLU A 99 -3.711 4.423 21.020 1.00 2.68 O ATOM 0 H GLU A 99 -5.420 6.705 15.734 1.00 1.04 H new ATOM 0 HA GLU A 99 -5.933 8.068 18.244 1.00 1.13 H new ATOM 0 HB2 GLU A 99 -5.784 5.554 17.936 1.00 1.07 H new ATOM 0 HB3 GLU A 99 -4.074 5.747 17.606 1.00 1.07 H new ATOM 0 HG2 GLU A 99 -4.303 7.118 19.973 1.00 1.76 H new ATOM 0 HG3 GLU A 99 -5.540 5.893 20.177 1.00 1.76 H new ATOM 1292 N GLN A 100 -2.989 8.177 16.746 1.00 1.22 N ATOM 1293 CA GLN A 100 -1.723 8.898 16.704 1.00 1.37 C ATOM 1294 C GLN A 100 -1.954 10.400 16.564 1.00 1.48 C ATOM 1295 O GLN A 100 -1.166 11.207 17.055 1.00 1.63 O ATOM 1296 CB GLN A 100 -0.861 8.395 15.546 1.00 1.33 C ATOM 1297 CG GLN A 100 0.001 7.196 15.907 1.00 1.96 C ATOM 1298 CD GLN A 100 1.406 7.297 15.343 1.00 2.38 C ATOM 1299 OE1 GLN A 100 2.351 7.634 16.057 1.00 3.19 O ATOM 1300 NE2 GLN A 100 1.548 7.007 14.056 1.00 2.35 N ATOM 0 H GLN A 100 -3.109 7.492 16.000 1.00 1.22 H new ATOM 0 HA GLN A 100 -1.201 8.714 17.643 1.00 1.37 H new ATOM 0 HB2 GLN A 100 -1.509 8.128 14.711 1.00 1.33 H new ATOM 0 HB3 GLN A 100 -0.217 9.205 15.204 1.00 1.33 H new ATOM 0 HG2 GLN A 100 0.055 7.105 16.992 1.00 1.96 H new ATOM 0 HG3 GLN A 100 -0.472 6.288 15.534 1.00 1.96 H new ATOM 0 HE21 GLN A 100 0.736 6.732 13.503 1.00 2.35 H new ATOM 0 HE22 GLN A 100 2.469 7.059 13.620 1.00 2.35 H new ATOM 1307 N GLU A 101 -3.040 10.766 15.892 1.00 1.44 N ATOM 1308 CA GLU A 101 -3.374 12.171 15.688 1.00 1.59 C ATOM 1309 C GLU A 101 -2.275 12.882 14.903 1.00 1.58 C ATOM 1310 O GLU A 101 -2.043 14.078 15.083 1.00 1.81 O ATOM 1311 CB GLU A 101 -3.592 12.866 17.035 1.00 1.80 C ATOM 1312 CG GLU A 101 -4.971 13.489 17.181 1.00 2.02 C ATOM 1313 CD GLU A 101 -5.140 14.737 16.337 1.00 1.97 C ATOM 1314 OE1 GLU A 101 -4.280 15.637 16.430 1.00 2.04 O ATOM 1315 OE2 GLU A 101 -6.132 14.813 15.582 1.00 2.68 O ATOM 0 H GLU A 101 -3.703 10.110 15.480 1.00 1.44 H new ATOM 0 HA GLU A 101 -4.297 12.221 15.110 1.00 1.59 H new ATOM 0 HB2 GLU A 101 -3.442 12.142 17.836 1.00 1.80 H new ATOM 0 HB3 GLU A 101 -2.837 13.642 17.161 1.00 1.80 H new ATOM 0 HG2 GLU A 101 -5.728 12.758 16.897 1.00 2.02 H new ATOM 0 HG3 GLU A 101 -5.144 13.737 18.228 1.00 2.02 H new ATOM 1322 N LYS A 102 -1.600 12.138 14.032 1.00 1.36 N ATOM 1323 CA LYS A 102 -0.526 12.696 13.219 1.00 1.36 C ATOM 1324 C LYS A 102 -0.979 12.878 11.772 1.00 1.24 C ATOM 1325 O LYS A 102 -2.057 12.423 11.388 1.00 1.16 O ATOM 1326 CB LYS A 102 0.705 11.788 13.273 1.00 1.37 C ATOM 1327 CG LYS A 102 1.813 12.320 14.169 1.00 1.77 C ATOM 1328 CD LYS A 102 1.867 11.573 15.493 1.00 2.28 C ATOM 1329 CE LYS A 102 2.936 10.492 15.480 1.00 2.19 C ATOM 1330 NZ LYS A 102 2.812 9.602 14.293 1.00 2.36 N ATOM 0 H LYS A 102 -1.778 11.147 13.871 1.00 1.36 H new ATOM 0 HA LYS A 102 -0.265 13.674 13.624 1.00 1.36 H new ATOM 0 HB2 LYS A 102 0.404 10.802 13.627 1.00 1.37 H new ATOM 0 HB3 LYS A 102 1.096 11.658 12.264 1.00 1.37 H new ATOM 0 HG2 LYS A 102 2.771 12.227 13.658 1.00 1.77 H new ATOM 0 HG3 LYS A 102 1.653 13.382 14.356 1.00 1.77 H new ATOM 0 HD2 LYS A 102 2.069 12.276 16.301 1.00 2.28 H new ATOM 0 HD3 LYS A 102 0.896 11.123 15.698 1.00 2.28 H new ATOM 0 HE2 LYS A 102 3.922 10.957 15.484 1.00 2.19 H new ATOM 0 HE3 LYS A 102 2.861 9.896 16.390 1.00 2.19 H new ATOM 0 HZ1 LYS A 102 3.235 8.677 14.507 1.00 2.36 H new ATOM 0 HZ2 LYS A 102 1.807 9.477 14.057 1.00 2.36 H new ATOM 0 HZ3 LYS A 102 3.307 10.030 13.485 1.00 2.36 H new ATOM 1344 N PRO A 103 -0.155 13.547 10.945 1.00 1.27 N ATOM 1345 CA PRO A 103 -0.476 13.785 9.535 1.00 1.21 C ATOM 1346 C PRO A 103 -0.847 12.499 8.804 1.00 1.01 C ATOM 1347 O PRO A 103 -0.003 11.631 8.587 1.00 0.97 O ATOM 1348 CB PRO A 103 0.820 14.369 8.967 1.00 1.28 C ATOM 1349 CG PRO A 103 1.507 14.979 10.138 1.00 1.36 C ATOM 1350 CD PRO A 103 1.151 14.120 11.320 1.00 1.42 C ATOM 0 HA PRO A 103 -1.339 14.440 9.418 1.00 1.21 H new ATOM 0 HB2 PRO A 103 1.434 13.595 8.507 1.00 1.28 H new ATOM 0 HB3 PRO A 103 0.615 15.113 8.197 1.00 1.28 H new ATOM 0 HG2 PRO A 103 2.586 15.007 9.987 1.00 1.36 H new ATOM 0 HG3 PRO A 103 1.180 16.008 10.290 1.00 1.36 H new ATOM 0 HD2 PRO A 103 1.896 13.343 11.491 1.00 1.42 H new ATOM 0 HD3 PRO A 103 1.085 14.706 12.237 1.00 1.42 H new ATOM 1358 N LEU A 104 -2.117 12.383 8.431 1.00 1.00 N ATOM 1359 CA LEU A 104 -2.601 11.199 7.728 1.00 0.93 C ATOM 1360 C LEU A 104 -1.917 11.047 6.373 1.00 0.85 C ATOM 1361 O LEU A 104 -1.816 9.940 5.841 1.00 0.78 O ATOM 1362 CB LEU A 104 -4.119 11.271 7.548 1.00 1.11 C ATOM 1363 CG LEU A 104 -4.931 10.550 8.628 1.00 1.03 C ATOM 1364 CD1 LEU A 104 -6.413 10.582 8.294 1.00 1.40 C ATOM 1365 CD2 LEU A 104 -4.451 9.116 8.785 1.00 1.51 C ATOM 0 H LEU A 104 -2.829 13.093 8.603 1.00 1.00 H new ATOM 0 HA LEU A 104 -2.357 10.325 8.332 1.00 0.93 H new ATOM 0 HB2 LEU A 104 -4.419 12.319 7.528 1.00 1.11 H new ATOM 0 HB3 LEU A 104 -4.376 10.847 6.577 1.00 1.11 H new ATOM 0 HG LEU A 104 -4.782 11.070 9.574 1.00 1.03 H new ATOM 0 HD11 LEU A 104 -6.973 10.065 9.073 1.00 1.40 H new ATOM 0 HD12 LEU A 104 -6.750 11.617 8.232 1.00 1.40 H new ATOM 0 HD13 LEU A 104 -6.581 10.087 7.337 1.00 1.40 H new ATOM 0 HD21 LEU A 104 -5.039 8.618 9.556 1.00 1.51 H new ATOM 0 HD22 LEU A 104 -4.570 8.587 7.840 1.00 1.51 H new ATOM 0 HD23 LEU A 104 -3.399 9.114 9.072 1.00 1.51 H new ATOM 1371 N MET A 105 -1.446 12.160 5.818 1.00 0.98 N ATOM 1372 CA MET A 105 -0.768 12.143 4.524 1.00 0.99 C ATOM 1373 C MET A 105 0.337 11.089 4.504 1.00 0.76 C ATOM 1374 O MET A 105 0.347 10.199 3.652 1.00 0.81 O ATOM 1375 CB MET A 105 -0.184 13.525 4.217 1.00 1.22 C ATOM 1376 CG MET A 105 -0.611 14.082 2.869 1.00 1.08 C ATOM 1377 SD MET A 105 -2.069 15.137 2.984 1.00 1.56 S ATOM 1378 CE MET A 105 -3.115 14.149 4.049 1.00 1.27 C ATOM 0 H MET A 105 -1.521 13.084 6.243 1.00 0.98 H new ATOM 0 HA MET A 105 -1.499 11.888 3.757 1.00 0.99 H new ATOM 0 HB2 MET A 105 -0.487 14.220 5.000 1.00 1.22 H new ATOM 0 HB3 MET A 105 0.904 13.465 4.248 1.00 1.22 H new ATOM 0 HG2 MET A 105 0.212 14.652 2.439 1.00 1.08 H new ATOM 0 HG3 MET A 105 -0.817 13.256 2.188 1.00 1.08 H new ATOM 0 HE1 MET A 105 -4.160 14.405 3.872 1.00 1.27 H new ATOM 0 HE2 MET A 105 -2.959 13.092 3.834 1.00 1.27 H new ATOM 0 HE3 MET A 105 -2.865 14.348 5.091 1.00 1.27 H new ATOM 1388 N ALA A 106 1.260 11.193 5.454 1.00 0.70 N ATOM 1389 CA ALA A 106 2.365 10.249 5.552 1.00 0.63 C ATOM 1390 C ALA A 106 1.864 8.859 5.931 1.00 0.54 C ATOM 1391 O ALA A 106 2.409 7.846 5.487 1.00 0.61 O ATOM 1392 CB ALA A 106 3.385 10.739 6.568 1.00 0.84 C ATOM 0 H ALA A 106 1.264 11.922 6.167 1.00 0.70 H new ATOM 0 HA ALA A 106 2.844 10.181 4.575 1.00 0.63 H new ATOM 0 HB1 ALA A 106 4.206 10.025 6.632 1.00 0.84 H new ATOM 0 HB2 ALA A 106 3.771 11.709 6.257 1.00 0.84 H new ATOM 0 HB3 ALA A 106 2.909 10.834 7.544 1.00 0.84 H new ATOM 1398 N HIS A 107 0.820 8.820 6.756 1.00 0.53 N ATOM 1399 CA HIS A 107 0.238 7.556 7.200 1.00 0.60 C ATOM 1400 C HIS A 107 -0.072 6.654 6.011 1.00 0.55 C ATOM 1401 O HIS A 107 0.289 5.479 6.003 1.00 0.70 O ATOM 1402 CB HIS A 107 -1.035 7.809 8.008 1.00 0.70 C ATOM 1403 CG HIS A 107 -1.412 6.668 8.903 1.00 1.22 C ATOM 1404 ND1 HIS A 107 -2.253 5.645 8.510 1.00 1.79 N ATOM 1405 CD2 HIS A 107 -1.059 6.391 10.181 1.00 1.93 C ATOM 1406 CE1 HIS A 107 -2.401 4.792 9.508 1.00 2.26 C ATOM 1407 NE2 HIS A 107 -1.686 5.221 10.532 1.00 2.34 N ATOM 0 H HIS A 107 0.360 9.650 7.131 1.00 0.53 H new ATOM 0 HA HIS A 107 0.967 7.054 7.835 1.00 0.60 H new ATOM 0 HB2 HIS A 107 -0.900 8.705 8.613 1.00 0.70 H new ATOM 0 HB3 HIS A 107 -1.858 8.009 7.322 1.00 0.70 H new ATOM 0 HD1 HIS A 107 -2.691 5.561 7.593 1.00 1.79 H new ATOM 0 HD2 HIS A 107 -0.406 6.981 10.807 1.00 1.93 H new ATOM 0 HE1 HIS A 107 -3.004 3.896 9.489 1.00 2.26 H new ATOM 1416 N TRP A 108 -0.737 7.214 5.007 1.00 0.47 N ATOM 1417 CA TRP A 108 -1.089 6.460 3.809 1.00 0.46 C ATOM 1418 C TRP A 108 0.168 5.948 3.117 1.00 0.43 C ATOM 1419 O TRP A 108 0.313 4.747 2.870 1.00 0.47 O ATOM 1420 CB TRP A 108 -1.900 7.335 2.851 1.00 0.55 C ATOM 1421 CG TRP A 108 -3.379 7.113 2.943 1.00 0.56 C ATOM 1422 CD1 TRP A 108 -4.251 6.975 1.902 1.00 0.94 C ATOM 1423 CD2 TRP A 108 -4.163 7.004 4.140 1.00 0.94 C ATOM 1424 NE1 TRP A 108 -5.527 6.789 2.377 1.00 0.81 N ATOM 1425 CE2 TRP A 108 -5.499 6.804 3.744 1.00 0.78 C ATOM 1426 CE3 TRP A 108 -3.868 7.055 5.505 1.00 1.75 C ATOM 1427 CZ2 TRP A 108 -6.535 6.657 4.663 1.00 1.22 C ATOM 1428 CZ3 TRP A 108 -4.897 6.909 6.417 1.00 2.30 C ATOM 1429 CH2 TRP A 108 -6.217 6.713 5.992 1.00 2.00 C ATOM 0 H TRP A 108 -1.043 8.187 4.998 1.00 0.47 H new ATOM 0 HA TRP A 108 -1.698 5.605 4.103 1.00 0.46 H new ATOM 0 HB2 TRP A 108 -1.685 8.383 3.059 1.00 0.55 H new ATOM 0 HB3 TRP A 108 -1.574 7.139 1.829 1.00 0.55 H new ATOM 0 HD1 TRP A 108 -3.978 7.007 0.858 1.00 0.94 H new ATOM 0 HE1 TRP A 108 -6.360 6.661 1.803 1.00 0.81 H new ATOM 0 HE3 TRP A 108 -2.853 7.206 5.842 1.00 1.75 H new ATOM 0 HZ2 TRP A 108 -7.553 6.504 4.338 1.00 1.22 H new ATOM 0 HZ3 TRP A 108 -4.679 6.947 7.474 1.00 2.30 H new ATOM 0 HH2 TRP A 108 -6.999 6.604 6.728 1.00 2.00 H new ATOM 1440 N ALA A 109 1.087 6.867 2.818 1.00 0.47 N ATOM 1441 CA ALA A 109 2.343 6.508 2.168 1.00 0.51 C ATOM 1442 C ALA A 109 3.020 5.370 2.919 1.00 0.49 C ATOM 1443 O ALA A 109 3.592 4.464 2.313 1.00 0.64 O ATOM 1444 CB ALA A 109 3.264 7.717 2.091 1.00 0.62 C ATOM 0 H ALA A 109 0.984 7.862 3.016 1.00 0.47 H new ATOM 0 HA ALA A 109 2.127 6.173 1.153 1.00 0.51 H new ATOM 0 HB1 ALA A 109 4.197 7.433 1.604 1.00 0.62 H new ATOM 0 HB2 ALA A 109 2.780 8.507 1.517 1.00 0.62 H new ATOM 0 HB3 ALA A 109 3.476 8.078 3.098 1.00 0.62 H new ATOM 1450 N HIS A 110 2.934 5.416 4.243 1.00 0.44 N ATOM 1451 CA HIS A 110 3.519 4.379 5.080 1.00 0.53 C ATOM 1452 C HIS A 110 2.633 3.142 5.068 1.00 0.60 C ATOM 1453 O HIS A 110 3.120 2.013 5.063 1.00 0.86 O ATOM 1454 CB HIS A 110 3.699 4.886 6.513 1.00 0.57 C ATOM 1455 CG HIS A 110 4.808 4.206 7.254 1.00 1.03 C ATOM 1456 ND1 HIS A 110 6.010 4.819 7.540 1.00 1.58 N ATOM 1457 CD2 HIS A 110 4.893 2.957 7.771 1.00 1.90 C ATOM 1458 CE1 HIS A 110 6.785 3.977 8.199 1.00 1.93 C ATOM 1459 NE2 HIS A 110 6.131 2.841 8.352 1.00 2.16 N ATOM 0 H HIS A 110 2.465 6.160 4.759 1.00 0.44 H new ATOM 0 HA HIS A 110 4.499 4.118 4.681 1.00 0.53 H new ATOM 0 HB2 HIS A 110 3.893 5.958 6.488 1.00 0.57 H new ATOM 0 HB3 HIS A 110 2.767 4.744 7.060 1.00 0.57 H new ATOM 0 HD2 HIS A 110 4.129 2.195 7.733 1.00 1.90 H new ATOM 0 HE1 HIS A 110 7.784 4.183 8.553 1.00 1.93 H new ATOM 0 HE2 HIS A 110 6.488 2.011 8.825 1.00 2.16 H new ATOM 1468 N MET A 111 1.324 3.370 5.053 1.00 0.50 N ATOM 1469 CA MET A 111 0.354 2.285 5.033 1.00 0.59 C ATOM 1470 C MET A 111 0.578 1.377 3.829 1.00 0.59 C ATOM 1471 O MET A 111 0.548 0.153 3.947 1.00 0.78 O ATOM 1472 CB MET A 111 -1.068 2.852 5.000 1.00 0.63 C ATOM 1473 CG MET A 111 -2.081 2.006 5.753 1.00 1.24 C ATOM 1474 SD MET A 111 -2.072 0.284 5.226 1.00 2.04 S ATOM 1475 CE MET A 111 -0.886 -0.407 6.377 1.00 1.59 C ATOM 0 H MET A 111 0.910 4.302 5.054 1.00 0.50 H new ATOM 0 HA MET A 111 0.485 1.694 5.939 1.00 0.59 H new ATOM 0 HB2 MET A 111 -1.059 3.856 5.425 1.00 0.63 H new ATOM 0 HB3 MET A 111 -1.387 2.948 3.962 1.00 0.63 H new ATOM 0 HG2 MET A 111 -1.869 2.057 6.821 1.00 1.24 H new ATOM 0 HG3 MET A 111 -3.078 2.422 5.606 1.00 1.24 H new ATOM 0 HE1 MET A 111 -0.151 -0.999 5.831 1.00 1.59 H new ATOM 0 HE2 MET A 111 -0.380 0.400 6.907 1.00 1.59 H new ATOM 0 HE3 MET A 111 -1.404 -1.043 7.095 1.00 1.59 H new ATOM 1485 N VAL A 112 0.796 1.987 2.668 1.00 0.51 N ATOM 1486 CA VAL A 112 1.018 1.228 1.442 1.00 0.58 C ATOM 1487 C VAL A 112 2.353 0.483 1.474 1.00 0.64 C ATOM 1488 O VAL A 112 2.412 -0.715 1.189 1.00 0.78 O ATOM 1489 CB VAL A 112 0.975 2.136 0.194 1.00 0.59 C ATOM 1490 CG1 VAL A 112 -0.438 2.646 -0.049 1.00 1.46 C ATOM 1491 CG2 VAL A 112 1.950 3.297 0.328 1.00 1.42 C ATOM 0 H VAL A 112 0.824 3.000 2.550 1.00 0.51 H new ATOM 0 HA VAL A 112 0.208 0.502 1.380 1.00 0.58 H new ATOM 0 HB VAL A 112 1.279 1.540 -0.667 1.00 0.59 H new ATOM 0 HG11 VAL A 112 -0.448 3.284 -0.933 1.00 1.46 H new ATOM 0 HG12 VAL A 112 -1.108 1.801 -0.205 1.00 1.46 H new ATOM 0 HG13 VAL A 112 -0.772 3.219 0.816 1.00 1.46 H new ATOM 0 HG21 VAL A 112 1.899 3.920 -0.565 1.00 1.42 H new ATOM 0 HG22 VAL A 112 1.688 3.893 1.202 1.00 1.42 H new ATOM 0 HG23 VAL A 112 2.963 2.910 0.443 1.00 1.42 H new ATOM 1495 N VAL A 113 3.420 1.198 1.817 1.00 0.61 N ATOM 1496 CA VAL A 113 4.751 0.603 1.875 1.00 0.72 C ATOM 1497 C VAL A 113 4.835 -0.485 2.944 1.00 0.82 C ATOM 1498 O VAL A 113 5.151 -1.636 2.642 1.00 1.03 O ATOM 1499 CB VAL A 113 5.829 1.671 2.145 1.00 0.73 C ATOM 1500 CG1 VAL A 113 7.202 1.031 2.308 1.00 0.97 C ATOM 1501 CG2 VAL A 113 5.849 2.699 1.025 1.00 0.63 C ATOM 0 H VAL A 113 3.389 2.188 2.059 1.00 0.61 H new ATOM 0 HA VAL A 113 4.935 0.150 0.901 1.00 0.72 H new ATOM 0 HB VAL A 113 5.580 2.177 3.078 1.00 0.73 H new ATOM 0 HG11 VAL A 113 7.945 1.806 2.498 1.00 0.97 H new ATOM 0 HG12 VAL A 113 7.182 0.335 3.147 1.00 0.97 H new ATOM 0 HG13 VAL A 113 7.463 0.493 1.397 1.00 0.97 H new ATOM 0 HG21 VAL A 113 6.615 3.446 1.231 1.00 0.63 H new ATOM 0 HG22 VAL A 113 6.070 2.203 0.080 1.00 0.63 H new ATOM 0 HG23 VAL A 113 4.876 3.186 0.960 1.00 0.63 H new ATOM 1505 N HIS A 114 4.561 -0.118 4.191 1.00 0.75 N ATOM 1506 CA HIS A 114 4.620 -1.073 5.292 1.00 0.85 C ATOM 1507 C HIS A 114 3.692 -2.259 5.036 1.00 0.96 C ATOM 1508 O HIS A 114 4.053 -3.409 5.284 1.00 1.08 O ATOM 1509 CB HIS A 114 4.275 -0.377 6.622 1.00 0.89 C ATOM 1510 CG HIS A 114 3.056 -0.914 7.316 1.00 0.99 C ATOM 1511 ND1 HIS A 114 3.006 -2.170 7.883 1.00 1.39 N ATOM 1512 CD2 HIS A 114 1.841 -0.355 7.539 1.00 1.57 C ATOM 1513 CE1 HIS A 114 1.815 -2.362 8.423 1.00 1.30 C ATOM 1514 NE2 HIS A 114 1.092 -1.276 8.228 1.00 1.36 N ATOM 0 H HIS A 114 4.297 0.829 4.464 1.00 0.75 H new ATOM 0 HA HIS A 114 5.637 -1.458 5.361 1.00 0.85 H new ATOM 0 HB2 HIS A 114 5.128 -0.467 7.295 1.00 0.89 H new ATOM 0 HB3 HIS A 114 4.129 0.686 6.432 1.00 0.89 H new ATOM 0 HD1 HIS A 114 3.770 -2.846 7.885 1.00 1.39 H new ATOM 0 HD2 HIS A 114 1.522 0.630 7.232 1.00 1.57 H new ATOM 0 HE1 HIS A 114 1.490 -3.255 8.936 1.00 1.30 H new ATOM 1523 N GLY A 115 2.496 -1.969 4.541 1.00 1.03 N ATOM 1524 CA GLY A 115 1.531 -3.018 4.264 1.00 1.18 C ATOM 1525 C GLY A 115 1.857 -3.819 3.016 1.00 1.20 C ATOM 1526 O GLY A 115 1.285 -4.887 2.796 1.00 1.36 O ATOM 0 H GLY A 115 2.175 -1.025 4.326 1.00 1.03 H new ATOM 0 HA2 GLY A 115 1.483 -3.693 5.118 1.00 1.18 H new ATOM 0 HA3 GLY A 115 0.542 -2.573 4.154 1.00 1.18 H new ATOM 1530 N SER A 116 2.767 -3.309 2.190 1.00 1.17 N ATOM 1531 CA SER A 116 3.144 -4.002 0.961 1.00 1.26 C ATOM 1532 C SER A 116 4.501 -4.689 1.098 1.00 1.36 C ATOM 1533 O SER A 116 4.621 -5.894 0.879 1.00 1.63 O ATOM 1534 CB SER A 116 3.176 -3.020 -0.212 1.00 1.31 C ATOM 1535 OG SER A 116 3.279 -3.706 -1.448 1.00 1.72 O ATOM 0 H SER A 116 3.253 -2.426 2.347 1.00 1.17 H new ATOM 0 HA SER A 116 2.394 -4.770 0.771 1.00 1.26 H new ATOM 0 HB2 SER A 116 2.272 -2.410 -0.205 1.00 1.31 H new ATOM 0 HB3 SER A 116 4.020 -2.340 -0.098 1.00 1.31 H new ATOM 0 HG SER A 116 4.224 -3.827 -1.677 1.00 1.72 H new ATOM 1541 N LEU A 117 5.521 -3.914 1.444 1.00 1.28 N ATOM 1542 CA LEU A 117 6.876 -4.439 1.594 1.00 1.49 C ATOM 1543 C LEU A 117 6.929 -5.620 2.562 1.00 1.69 C ATOM 1544 O LEU A 117 7.707 -6.554 2.367 1.00 1.94 O ATOM 1545 CB LEU A 117 7.815 -3.326 2.074 1.00 1.49 C ATOM 1546 CG LEU A 117 9.318 -3.649 2.048 1.00 1.78 C ATOM 1547 CD1 LEU A 117 9.784 -4.105 3.421 1.00 2.07 C ATOM 1548 CD2 LEU A 117 9.650 -4.705 1.003 1.00 2.38 C ATOM 0 H LEU A 117 5.437 -2.914 1.627 1.00 1.28 H new ATOM 0 HA LEU A 117 7.200 -4.800 0.618 1.00 1.49 H new ATOM 0 HB2 LEU A 117 7.643 -2.443 1.458 1.00 1.49 H new ATOM 0 HB3 LEU A 117 7.539 -3.061 3.095 1.00 1.49 H new ATOM 0 HG LEU A 117 9.846 -2.735 1.775 1.00 1.78 H new ATOM 0 HD11 LEU A 117 10.850 -4.330 3.387 1.00 2.07 H new ATOM 0 HD12 LEU A 117 9.603 -3.313 4.148 1.00 2.07 H new ATOM 0 HD13 LEU A 117 9.233 -4.999 3.714 1.00 2.07 H new ATOM 0 HD21 LEU A 117 10.721 -4.905 1.016 1.00 2.38 H new ATOM 0 HD22 LEU A 117 9.106 -5.623 1.228 1.00 2.38 H new ATOM 0 HD23 LEU A 117 9.360 -4.344 0.016 1.00 2.38 H new ATOM 1554 N HIS A 118 6.115 -5.572 3.612 1.00 1.70 N ATOM 1555 CA HIS A 118 6.097 -6.639 4.609 1.00 2.04 C ATOM 1556 C HIS A 118 5.313 -7.859 4.127 1.00 2.25 C ATOM 1557 O HIS A 118 5.485 -8.958 4.654 1.00 2.60 O ATOM 1558 CB HIS A 118 5.501 -6.129 5.922 1.00 2.10 C ATOM 1559 CG HIS A 118 6.488 -5.407 6.786 1.00 2.30 C ATOM 1560 ND1 HIS A 118 7.754 -5.887 7.046 1.00 2.63 N ATOM 1561 CD2 HIS A 118 6.389 -4.233 7.454 1.00 2.93 C ATOM 1562 CE1 HIS A 118 8.390 -5.040 7.837 1.00 3.13 C ATOM 1563 NE2 HIS A 118 7.583 -4.029 8.098 1.00 3.28 N ATOM 0 H HIS A 118 5.462 -4.810 3.795 1.00 1.70 H new ATOM 0 HA HIS A 118 7.130 -6.947 4.771 1.00 2.04 H new ATOM 0 HB2 HIS A 118 4.669 -5.461 5.699 1.00 2.10 H new ATOM 0 HB3 HIS A 118 5.092 -6.973 6.478 1.00 2.10 H new ATOM 0 HD2 HIS A 118 5.530 -3.579 7.476 1.00 2.93 H new ATOM 0 HE1 HIS A 118 9.398 -5.156 8.207 1.00 3.13 H new ATOM 0 HE2 HIS A 118 7.810 -3.226 8.684 1.00 3.28 H new ATOM 1572 N LEU A 119 4.441 -7.665 3.144 1.00 2.15 N ATOM 1573 CA LEU A 119 3.627 -8.762 2.628 1.00 2.45 C ATOM 1574 C LEU A 119 4.318 -9.511 1.493 1.00 2.53 C ATOM 1575 O LEU A 119 4.562 -10.714 1.593 1.00 2.98 O ATOM 1576 CB LEU A 119 2.269 -8.240 2.146 1.00 2.52 C ATOM 1577 CG LEU A 119 1.346 -9.294 1.518 1.00 2.47 C ATOM 1578 CD1 LEU A 119 1.750 -9.573 0.078 1.00 3.30 C ATOM 1579 CD2 LEU A 119 1.360 -10.579 2.333 1.00 2.27 C ATOM 0 H LEU A 119 4.279 -6.766 2.690 1.00 2.15 H new ATOM 0 HA LEU A 119 3.482 -9.463 3.450 1.00 2.45 H new ATOM 0 HB2 LEU A 119 1.752 -7.786 2.991 1.00 2.52 H new ATOM 0 HB3 LEU A 119 2.441 -7.450 1.415 1.00 2.52 H new ATOM 0 HG LEU A 119 0.330 -8.898 1.520 1.00 2.47 H new ATOM 0 HD11 LEU A 119 1.083 -10.323 -0.348 1.00 3.30 H new ATOM 0 HD12 LEU A 119 1.682 -8.654 -0.504 1.00 3.30 H new ATOM 0 HD13 LEU A 119 2.775 -9.943 0.053 1.00 3.30 H new ATOM 0 HD21 LEU A 119 0.699 -11.311 1.869 1.00 2.27 H new ATOM 0 HD22 LEU A 119 2.374 -10.977 2.368 1.00 2.27 H new ATOM 0 HD23 LEU A 119 1.017 -10.371 3.346 1.00 2.27 H new ATOM 1585 N LEU A 120 4.602 -8.810 0.403 1.00 2.25 N ATOM 1586 CA LEU A 120 5.228 -9.435 -0.755 1.00 2.47 C ATOM 1587 C LEU A 120 6.736 -9.213 -0.788 1.00 2.57 C ATOM 1588 O LEU A 120 7.492 -10.119 -1.140 1.00 3.07 O ATOM 1589 CB LEU A 120 4.582 -8.913 -2.040 1.00 2.62 C ATOM 1590 CG LEU A 120 5.000 -7.502 -2.464 1.00 2.70 C ATOM 1591 CD1 LEU A 120 6.172 -7.558 -3.429 1.00 3.20 C ATOM 1592 CD2 LEU A 120 3.826 -6.766 -3.094 1.00 2.88 C ATOM 0 H LEU A 120 4.410 -7.814 0.296 1.00 2.25 H new ATOM 0 HA LEU A 120 5.067 -10.510 -0.677 1.00 2.47 H new ATOM 0 HB2 LEU A 120 4.819 -9.602 -2.851 1.00 2.62 H new ATOM 0 HB3 LEU A 120 3.499 -8.930 -1.914 1.00 2.62 H new ATOM 0 HG LEU A 120 5.314 -6.955 -1.575 1.00 2.70 H new ATOM 0 HD11 LEU A 120 6.454 -6.546 -3.718 1.00 3.20 H new ATOM 0 HD12 LEU A 120 7.018 -8.046 -2.946 1.00 3.20 H new ATOM 0 HD13 LEU A 120 5.886 -8.123 -4.316 1.00 3.20 H new ATOM 0 HD21 LEU A 120 4.140 -5.765 -3.390 1.00 2.88 H new ATOM 0 HD22 LEU A 120 3.483 -7.313 -3.972 1.00 2.88 H new ATOM 0 HD23 LEU A 120 3.013 -6.692 -2.372 1.00 2.88 H new ATOM 1598 N GLY A 121 7.174 -8.012 -0.431 1.00 2.56 N ATOM 1599 CA GLY A 121 8.594 -7.723 -0.444 1.00 3.27 C ATOM 1600 C GLY A 121 9.107 -7.424 -1.838 1.00 3.49 C ATOM 1601 O GLY A 121 9.847 -8.218 -2.419 1.00 4.12 O ATOM 0 H GLY A 121 6.577 -7.240 -0.135 1.00 2.56 H new ATOM 0 HA2 GLY A 121 8.795 -6.871 0.205 1.00 3.27 H new ATOM 0 HA3 GLY A 121 9.139 -8.573 -0.033 1.00 3.27 H new ATOM 1605 N TYR A 122 8.701 -6.281 -2.384 1.00 3.41 N ATOM 1606 CA TYR A 122 9.114 -5.881 -3.733 1.00 4.05 C ATOM 1607 C TYR A 122 10.638 -5.789 -3.881 1.00 4.04 C ATOM 1608 O TYR A 122 11.136 -5.485 -4.965 1.00 4.29 O ATOM 1609 CB TYR A 122 8.479 -4.542 -4.150 1.00 4.92 C ATOM 1610 CG TYR A 122 7.892 -3.722 -3.022 1.00 4.99 C ATOM 1611 CD1 TYR A 122 8.681 -3.292 -1.963 1.00 5.29 C ATOM 1612 CD2 TYR A 122 6.549 -3.367 -3.025 1.00 5.07 C ATOM 1613 CE1 TYR A 122 8.147 -2.533 -0.940 1.00 5.72 C ATOM 1614 CE2 TYR A 122 6.008 -2.611 -2.005 1.00 5.49 C ATOM 1615 CZ TYR A 122 6.811 -2.196 -0.965 1.00 5.83 C ATOM 1616 OH TYR A 122 6.276 -1.439 0.051 1.00 6.50 O ATOM 0 H TYR A 122 8.087 -5.614 -1.917 1.00 3.41 H new ATOM 0 HA TYR A 122 8.755 -6.669 -4.395 1.00 4.05 H new ATOM 0 HB2 TYR A 122 9.236 -3.943 -4.656 1.00 4.92 H new ATOM 0 HB3 TYR A 122 7.693 -4.743 -4.877 1.00 4.92 H new ATOM 0 HD1 TYR A 122 9.728 -3.555 -1.939 1.00 5.29 H new ATOM 0 HD2 TYR A 122 5.917 -3.688 -3.840 1.00 5.07 H new ATOM 0 HE1 TYR A 122 8.774 -2.205 -0.124 1.00 5.72 H new ATOM 0 HE2 TYR A 122 4.961 -2.346 -2.022 1.00 5.49 H new ATOM 0 HH TYR A 122 6.479 -0.493 -0.104 1.00 6.50 H new ATOM 1626 N ASP A 123 11.381 -6.054 -2.806 1.00 4.20 N ATOM 1627 CA ASP A 123 12.839 -5.996 -2.859 1.00 4.65 C ATOM 1628 C ASP A 123 13.435 -7.322 -3.342 1.00 4.02 C ATOM 1629 O ASP A 123 14.600 -7.618 -3.078 1.00 4.67 O ATOM 1630 CB ASP A 123 13.404 -5.647 -1.481 1.00 5.43 C ATOM 1631 CG ASP A 123 14.870 -5.264 -1.537 1.00 6.23 C ATOM 1632 OD1 ASP A 123 15.344 -4.892 -2.630 1.00 6.82 O ATOM 1633 OD2 ASP A 123 15.543 -5.337 -0.487 1.00 6.57 O ATOM 0 H ASP A 123 10.999 -6.309 -1.895 1.00 4.20 H new ATOM 0 HA ASP A 123 13.114 -5.219 -3.572 1.00 4.65 H new ATOM 0 HB2 ASP A 123 12.832 -4.823 -1.055 1.00 5.43 H new ATOM 0 HB3 ASP A 123 13.279 -6.500 -0.814 1.00 5.43 H new ATOM 1638 N HIS A 124 12.627 -8.118 -4.045 1.00 2.97 N ATOM 1639 CA HIS A 124 13.069 -9.416 -4.563 1.00 2.45 C ATOM 1640 C HIS A 124 14.472 -9.340 -5.181 1.00 2.10 C ATOM 1641 O HIS A 124 15.469 -9.469 -4.472 1.00 2.45 O ATOM 1642 CB HIS A 124 12.060 -9.966 -5.586 1.00 2.23 C ATOM 1643 CG HIS A 124 11.354 -8.914 -6.392 1.00 2.36 C ATOM 1644 ND1 HIS A 124 10.196 -9.161 -7.102 1.00 2.46 N ATOM 1645 CD2 HIS A 124 11.645 -7.608 -6.600 1.00 2.98 C ATOM 1646 CE1 HIS A 124 9.809 -8.053 -7.709 1.00 2.83 C ATOM 1647 NE2 HIS A 124 10.672 -7.097 -7.421 1.00 3.06 N ATOM 0 H HIS A 124 11.659 -7.886 -4.270 1.00 2.97 H new ATOM 0 HA HIS A 124 13.120 -10.101 -3.716 1.00 2.45 H new ATOM 0 HB2 HIS A 124 12.582 -10.638 -6.267 1.00 2.23 H new ATOM 0 HB3 HIS A 124 11.315 -10.562 -5.059 1.00 2.23 H new ATOM 0 HD2 HIS A 124 12.488 -7.068 -6.194 1.00 2.98 H new ATOM 0 HE1 HIS A 124 8.935 -7.948 -8.335 1.00 2.83 H new ATOM 0 HE2 HIS A 124 10.623 -6.134 -7.755 1.00 3.06 H new ATOM 1656 N ILE A 125 14.553 -9.143 -6.499 1.00 1.91 N ATOM 1657 CA ILE A 125 15.847 -9.068 -7.177 1.00 2.11 C ATOM 1658 C ILE A 125 16.736 -7.993 -6.553 1.00 2.10 C ATOM 1659 O ILE A 125 16.320 -7.293 -5.630 1.00 1.90 O ATOM 1660 CB ILE A 125 15.697 -8.816 -8.693 1.00 2.32 C ATOM 1661 CG1 ILE A 125 15.195 -7.395 -8.972 1.00 2.52 C ATOM 1662 CG2 ILE A 125 14.769 -9.851 -9.316 1.00 2.86 C ATOM 1663 CD1 ILE A 125 13.739 -7.172 -8.632 1.00 3.27 C ATOM 0 H ILE A 125 13.745 -9.034 -7.112 1.00 1.91 H new ATOM 0 HA ILE A 125 16.324 -10.039 -7.046 1.00 2.11 H new ATOM 0 HB ILE A 125 16.681 -8.915 -9.151 1.00 2.32 H new ATOM 0 HG12 ILE A 125 15.801 -6.690 -8.403 1.00 2.52 H new ATOM 0 HG13 ILE A 125 15.349 -7.169 -10.027 1.00 2.52 H new ATOM 0 HG21 ILE A 125 14.675 -9.659 -10.385 1.00 2.86 H new ATOM 0 HG22 ILE A 125 15.181 -10.848 -9.162 1.00 2.86 H new ATOM 0 HG23 ILE A 125 13.787 -9.788 -8.848 1.00 2.86 H new ATOM 0 HD11 ILE A 125 13.466 -6.142 -8.860 1.00 3.27 H new ATOM 0 HD12 ILE A 125 13.120 -7.850 -9.220 1.00 3.27 H new ATOM 0 HD13 ILE A 125 13.580 -7.364 -7.571 1.00 3.27 H new ATOM 1667 N GLU A 126 17.971 -7.884 -7.040 1.00 2.54 N ATOM 1668 CA GLU A 126 18.918 -6.915 -6.496 1.00 2.75 C ATOM 1669 C GLU A 126 19.320 -5.830 -7.502 1.00 2.70 C ATOM 1670 O GLU A 126 19.391 -4.652 -7.154 1.00 2.83 O ATOM 1671 CB GLU A 126 20.171 -7.640 -6.003 1.00 3.67 C ATOM 1672 CG GLU A 126 21.211 -6.715 -5.391 1.00 4.39 C ATOM 1673 CD GLU A 126 22.534 -7.412 -5.140 1.00 5.41 C ATOM 1674 OE1 GLU A 126 22.577 -8.314 -4.276 1.00 5.87 O ATOM 1675 OE2 GLU A 126 23.529 -7.056 -5.807 1.00 6.01 O ATOM 0 H GLU A 126 18.337 -8.451 -7.805 1.00 2.54 H new ATOM 0 HA GLU A 126 18.412 -6.413 -5.671 1.00 2.75 H new ATOM 0 HB2 GLU A 126 19.881 -8.386 -5.263 1.00 3.67 H new ATOM 0 HB3 GLU A 126 20.621 -8.177 -6.838 1.00 3.67 H new ATOM 0 HG2 GLU A 126 21.372 -5.865 -6.055 1.00 4.39 H new ATOM 0 HG3 GLU A 126 20.830 -6.317 -4.451 1.00 4.39 H new ATOM 1682 N ASP A 127 19.635 -6.234 -8.728 1.00 2.79 N ATOM 1683 CA ASP A 127 20.092 -5.288 -9.749 1.00 3.14 C ATOM 1684 C ASP A 127 18.964 -4.665 -10.577 1.00 2.88 C ATOM 1685 O ASP A 127 19.204 -3.701 -11.306 1.00 3.08 O ATOM 1686 CB ASP A 127 21.086 -5.980 -10.684 1.00 3.66 C ATOM 1687 CG ASP A 127 22.453 -6.152 -10.049 1.00 4.67 C ATOM 1688 OD1 ASP A 127 22.582 -6.998 -9.139 1.00 5.15 O ATOM 1689 OD2 ASP A 127 23.393 -5.443 -10.463 1.00 5.29 O ATOM 0 H ASP A 127 19.584 -7.203 -9.041 1.00 2.79 H new ATOM 0 HA ASP A 127 20.565 -4.468 -9.209 1.00 3.14 H new ATOM 0 HB2 ASP A 127 20.694 -6.957 -10.967 1.00 3.66 H new ATOM 0 HB3 ASP A 127 21.185 -5.398 -11.600 1.00 3.66 H new ATOM 1694 N ASP A 128 17.754 -5.209 -10.505 1.00 2.70 N ATOM 1695 CA ASP A 128 16.653 -4.666 -11.303 1.00 2.87 C ATOM 1696 C ASP A 128 15.776 -3.682 -10.520 1.00 2.37 C ATOM 1697 O ASP A 128 15.980 -2.471 -10.598 1.00 2.51 O ATOM 1698 CB ASP A 128 15.805 -5.800 -11.892 1.00 3.34 C ATOM 1699 CG ASP A 128 15.733 -5.739 -13.406 1.00 3.82 C ATOM 1700 OD1 ASP A 128 16.696 -6.181 -14.066 1.00 4.30 O ATOM 1701 OD2 ASP A 128 14.713 -5.245 -13.931 1.00 4.15 O ATOM 0 H ASP A 128 17.510 -6.007 -9.918 1.00 2.70 H new ATOM 0 HA ASP A 128 17.105 -4.099 -12.117 1.00 2.87 H new ATOM 0 HB2 ASP A 128 16.224 -6.759 -11.589 1.00 3.34 H new ATOM 0 HB3 ASP A 128 14.797 -5.748 -11.480 1.00 3.34 H new ATOM 1706 N GLU A 129 14.788 -4.196 -9.795 1.00 2.02 N ATOM 1707 CA GLU A 129 13.871 -3.343 -9.039 1.00 1.94 C ATOM 1708 C GLU A 129 14.410 -2.989 -7.656 1.00 1.62 C ATOM 1709 O GLU A 129 13.926 -2.054 -7.021 1.00 1.65 O ATOM 1710 CB GLU A 129 12.508 -4.025 -8.899 1.00 2.14 C ATOM 1711 CG GLU A 129 11.497 -3.217 -8.096 1.00 3.04 C ATOM 1712 CD GLU A 129 11.375 -1.784 -8.577 1.00 4.10 C ATOM 1713 OE1 GLU A 129 11.730 -1.517 -9.745 1.00 4.72 O ATOM 1714 OE2 GLU A 129 10.922 -0.929 -7.788 1.00 4.68 O ATOM 0 H GLU A 129 14.600 -5.195 -9.713 1.00 2.02 H new ATOM 0 HA GLU A 129 13.767 -2.414 -9.600 1.00 1.94 H new ATOM 0 HB2 GLU A 129 12.102 -4.213 -9.893 1.00 2.14 H new ATOM 0 HB3 GLU A 129 12.645 -4.996 -8.422 1.00 2.14 H new ATOM 0 HG2 GLU A 129 10.522 -3.700 -8.157 1.00 3.04 H new ATOM 0 HG3 GLU A 129 11.789 -3.219 -7.046 1.00 3.04 H new ATOM 1721 N ALA A 130 15.399 -3.734 -7.181 1.00 1.57 N ATOM 1722 CA ALA A 130 15.970 -3.476 -5.864 1.00 1.56 C ATOM 1723 C ALA A 130 16.385 -2.015 -5.712 1.00 1.41 C ATOM 1724 O ALA A 130 15.949 -1.326 -4.788 1.00 1.33 O ATOM 1725 CB ALA A 130 17.154 -4.393 -5.615 1.00 1.92 C ATOM 0 H ALA A 130 15.820 -4.516 -7.682 1.00 1.57 H new ATOM 0 HA ALA A 130 15.201 -3.681 -5.119 1.00 1.56 H new ATOM 0 HB1 ALA A 130 17.571 -4.190 -4.628 1.00 1.92 H new ATOM 0 HB2 ALA A 130 16.826 -5.431 -5.664 1.00 1.92 H new ATOM 0 HB3 ALA A 130 17.916 -4.217 -6.374 1.00 1.92 H new ATOM 1731 N GLU A 131 17.232 -1.547 -6.624 1.00 1.46 N ATOM 1732 CA GLU A 131 17.709 -0.168 -6.592 1.00 1.46 C ATOM 1733 C GLU A 131 16.545 0.819 -6.627 1.00 1.38 C ATOM 1734 O GLU A 131 16.374 1.627 -5.714 1.00 1.37 O ATOM 1735 CB GLU A 131 18.652 0.093 -7.769 1.00 1.66 C ATOM 1736 CG GLU A 131 19.955 0.763 -7.366 1.00 1.92 C ATOM 1737 CD GLU A 131 21.059 -0.235 -7.078 1.00 2.55 C ATOM 1738 OE1 GLU A 131 21.119 -0.741 -5.938 1.00 3.30 O ATOM 1739 OE2 GLU A 131 21.863 -0.510 -7.993 1.00 2.84 O ATOM 0 H GLU A 131 17.602 -2.103 -7.395 1.00 1.46 H new ATOM 0 HA GLU A 131 18.252 -0.021 -5.658 1.00 1.46 H new ATOM 0 HB2 GLU A 131 18.877 -0.853 -8.261 1.00 1.66 H new ATOM 0 HB3 GLU A 131 18.142 0.719 -8.501 1.00 1.66 H new ATOM 0 HG2 GLU A 131 20.276 1.434 -8.163 1.00 1.92 H new ATOM 0 HG3 GLU A 131 19.785 1.377 -6.481 1.00 1.92 H new ATOM 1746 N GLU A 132 15.749 0.746 -7.686 1.00 1.44 N ATOM 1747 CA GLU A 132 14.600 1.631 -7.847 1.00 1.53 C ATOM 1748 C GLU A 132 13.655 1.524 -6.653 1.00 1.29 C ATOM 1749 O GLU A 132 13.298 2.528 -6.039 1.00 1.22 O ATOM 1750 CB GLU A 132 13.851 1.297 -9.139 1.00 1.86 C ATOM 1751 CG GLU A 132 13.544 2.515 -9.995 1.00 2.46 C ATOM 1752 CD GLU A 132 12.452 2.253 -11.014 1.00 2.96 C ATOM 1753 OE1 GLU A 132 12.091 1.073 -11.209 1.00 3.37 O ATOM 1754 OE2 GLU A 132 11.958 3.228 -11.619 1.00 3.44 O ATOM 0 H GLU A 132 15.878 0.081 -8.449 1.00 1.44 H new ATOM 0 HA GLU A 132 14.968 2.656 -7.902 1.00 1.53 H new ATOM 0 HB2 GLU A 132 14.445 0.593 -9.722 1.00 1.86 H new ATOM 0 HB3 GLU A 132 12.917 0.794 -8.888 1.00 1.86 H new ATOM 0 HG2 GLU A 132 13.243 3.341 -9.350 1.00 2.46 H new ATOM 0 HG3 GLU A 132 14.451 2.828 -10.512 1.00 2.46 H new ATOM 1761 N MET A 133 13.253 0.299 -6.332 1.00 1.28 N ATOM 1762 CA MET A 133 12.349 0.054 -5.212 1.00 1.23 C ATOM 1763 C MET A 133 12.896 0.661 -3.925 1.00 0.98 C ATOM 1764 O MET A 133 12.204 1.415 -3.240 1.00 0.92 O ATOM 1765 CB MET A 133 12.129 -1.450 -5.034 1.00 1.53 C ATOM 1766 CG MET A 133 11.257 -1.806 -3.841 1.00 1.39 C ATOM 1767 SD MET A 133 12.160 -2.699 -2.561 1.00 2.20 S ATOM 1768 CE MET A 133 12.117 -1.501 -1.233 1.00 2.47 C ATOM 0 H MET A 133 13.539 -0.542 -6.833 1.00 1.28 H new ATOM 0 HA MET A 133 11.394 0.531 -5.433 1.00 1.23 H new ATOM 0 HB2 MET A 133 11.672 -1.850 -5.939 1.00 1.53 H new ATOM 0 HB3 MET A 133 13.097 -1.939 -4.923 1.00 1.53 H new ATOM 0 HG2 MET A 133 10.840 -0.893 -3.416 1.00 1.39 H new ATOM 0 HG3 MET A 133 10.417 -2.413 -4.178 1.00 1.39 H new ATOM 0 HE1 MET A 133 13.080 -0.994 -1.169 1.00 2.47 H new ATOM 0 HE2 MET A 133 11.334 -0.769 -1.429 1.00 2.47 H new ATOM 0 HE3 MET A 133 11.911 -2.009 -0.291 1.00 2.47 H new ATOM 1778 N GLU A 134 14.142 0.334 -3.601 1.00 1.00 N ATOM 1779 CA GLU A 134 14.774 0.858 -2.397 1.00 0.98 C ATOM 1780 C GLU A 134 14.848 2.380 -2.455 1.00 0.85 C ATOM 1781 O GLU A 134 14.553 3.066 -1.476 1.00 0.92 O ATOM 1782 CB GLU A 134 16.178 0.271 -2.232 1.00 1.17 C ATOM 1783 CG GLU A 134 16.181 -1.197 -1.839 1.00 1.00 C ATOM 1784 CD GLU A 134 17.062 -1.479 -0.637 1.00 1.57 C ATOM 1785 OE1 GLU A 134 18.251 -1.100 -0.670 1.00 2.11 O ATOM 1786 OE2 GLU A 134 16.563 -2.081 0.337 1.00 2.40 O ATOM 0 H GLU A 134 14.732 -0.289 -4.153 1.00 1.00 H new ATOM 0 HA GLU A 134 14.169 0.568 -1.538 1.00 0.98 H new ATOM 0 HB2 GLU A 134 16.724 0.389 -3.168 1.00 1.17 H new ATOM 0 HB3 GLU A 134 16.715 0.842 -1.475 1.00 1.17 H new ATOM 0 HG2 GLU A 134 15.161 -1.512 -1.619 1.00 1.00 H new ATOM 0 HG3 GLU A 134 16.524 -1.794 -2.684 1.00 1.00 H new ATOM 1793 N SER A 135 15.237 2.898 -3.615 1.00 0.80 N ATOM 1794 CA SER A 135 15.347 4.338 -3.813 1.00 0.84 C ATOM 1795 C SER A 135 13.986 5.010 -3.675 1.00 0.80 C ATOM 1796 O SER A 135 13.798 5.883 -2.826 1.00 0.82 O ATOM 1797 CB SER A 135 15.942 4.641 -5.190 1.00 0.97 C ATOM 1798 OG SER A 135 17.250 4.110 -5.308 1.00 1.29 O ATOM 0 H SER A 135 15.482 2.341 -4.433 1.00 0.80 H new ATOM 0 HA SER A 135 16.009 4.736 -3.044 1.00 0.84 H new ATOM 0 HB2 SER A 135 15.304 4.219 -5.966 1.00 0.97 H new ATOM 0 HB3 SER A 135 15.968 5.719 -5.349 1.00 0.97 H new ATOM 0 HG SER A 135 17.199 3.175 -5.595 1.00 1.29 H new ATOM 1804 N LEU A 136 13.035 4.599 -4.510 1.00 0.81 N ATOM 1805 CA LEU A 136 11.694 5.170 -4.468 1.00 0.87 C ATOM 1806 C LEU A 136 11.064 4.960 -3.095 1.00 0.73 C ATOM 1807 O LEU A 136 10.499 5.888 -2.520 1.00 0.85 O ATOM 1808 CB LEU A 136 10.807 4.565 -5.565 1.00 0.98 C ATOM 1809 CG LEU A 136 10.542 3.063 -5.450 1.00 1.16 C ATOM 1810 CD1 LEU A 136 9.248 2.804 -4.693 1.00 1.17 C ATOM 1811 CD2 LEU A 136 10.482 2.428 -6.833 1.00 1.73 C ATOM 0 H LEU A 136 13.168 3.878 -5.219 1.00 0.81 H new ATOM 0 HA LEU A 136 11.777 6.242 -4.650 1.00 0.87 H new ATOM 0 HB2 LEU A 136 9.849 5.086 -5.561 1.00 0.98 H new ATOM 0 HB3 LEU A 136 11.272 4.760 -6.531 1.00 0.98 H new ATOM 0 HG LEU A 136 11.363 2.611 -4.894 1.00 1.16 H new ATOM 0 HD11 LEU A 136 9.077 1.730 -4.622 1.00 1.17 H new ATOM 0 HD12 LEU A 136 9.322 3.227 -3.691 1.00 1.17 H new ATOM 0 HD13 LEU A 136 8.417 3.269 -5.223 1.00 1.17 H new ATOM 0 HD21 LEU A 136 10.293 1.359 -6.735 1.00 1.73 H new ATOM 0 HD22 LEU A 136 9.679 2.887 -7.410 1.00 1.73 H new ATOM 0 HD23 LEU A 136 11.431 2.583 -7.346 1.00 1.73 H new ATOM 1817 N GLU A 137 11.180 3.745 -2.566 1.00 0.57 N ATOM 1818 CA GLU A 137 10.630 3.434 -1.250 1.00 0.51 C ATOM 1819 C GLU A 137 11.223 4.360 -0.198 1.00 0.52 C ATOM 1820 O GLU A 137 10.501 5.069 0.506 1.00 0.53 O ATOM 1821 CB GLU A 137 10.914 1.976 -0.880 1.00 0.52 C ATOM 1822 CG GLU A 137 10.352 1.571 0.473 1.00 1.16 C ATOM 1823 CD GLU A 137 10.923 0.257 0.971 1.00 1.87 C ATOM 1824 OE1 GLU A 137 12.020 0.275 1.567 1.00 2.54 O ATOM 1825 OE2 GLU A 137 10.273 -0.789 0.764 1.00 2.45 O ATOM 0 H GLU A 137 11.647 2.963 -3.026 1.00 0.57 H new ATOM 0 HA GLU A 137 9.551 3.582 -1.286 1.00 0.51 H new ATOM 0 HB2 GLU A 137 10.494 1.327 -1.648 1.00 0.52 H new ATOM 0 HB3 GLU A 137 11.992 1.813 -0.880 1.00 0.52 H new ATOM 0 HG2 GLU A 137 10.565 2.355 1.200 1.00 1.16 H new ATOM 0 HG3 GLU A 137 9.267 1.488 0.402 1.00 1.16 H new ATOM 1832 N THR A 138 12.546 4.357 -0.109 1.00 0.57 N ATOM 1833 CA THR A 138 13.245 5.204 0.842 1.00 0.67 C ATOM 1834 C THR A 138 12.958 6.678 0.558 1.00 0.69 C ATOM 1835 O THR A 138 13.115 7.529 1.433 1.00 0.77 O ATOM 1836 CB THR A 138 14.751 4.933 0.776 1.00 0.82 C ATOM 1837 OG1 THR A 138 15.060 3.684 1.370 1.00 0.85 O ATOM 1838 CG2 THR A 138 15.584 5.987 1.470 1.00 1.10 C ATOM 0 H THR A 138 13.155 3.776 -0.685 1.00 0.57 H new ATOM 0 HA THR A 138 12.888 4.972 1.845 1.00 0.67 H new ATOM 0 HB THR A 138 14.998 4.941 -0.286 1.00 0.82 H new ATOM 0 HG1 THR A 138 15.019 2.979 0.690 1.00 0.85 H new ATOM 0 HG21 THR A 138 16.640 5.731 1.384 1.00 1.10 H new ATOM 0 HG22 THR A 138 15.406 6.956 1.004 1.00 1.10 H new ATOM 0 HG23 THR A 138 15.307 6.034 2.523 1.00 1.10 H new ATOM 1843 N GLN A 139 12.539 6.973 -0.671 1.00 0.70 N ATOM 1844 CA GLN A 139 12.235 8.342 -1.066 1.00 0.79 C ATOM 1845 C GLN A 139 10.883 8.787 -0.514 1.00 0.67 C ATOM 1846 O GLN A 139 10.716 9.939 -0.115 1.00 0.67 O ATOM 1847 CB GLN A 139 12.247 8.469 -2.589 1.00 0.92 C ATOM 1848 CG GLN A 139 12.169 9.905 -3.083 1.00 1.04 C ATOM 1849 CD GLN A 139 12.597 10.047 -4.530 1.00 1.29 C ATOM 1850 OE1 GLN A 139 13.516 9.368 -4.989 1.00 2.28 O ATOM 1851 NE2 GLN A 139 11.930 10.936 -5.259 1.00 1.28 N ATOM 0 H GLN A 139 12.403 6.281 -1.408 1.00 0.70 H new ATOM 0 HA GLN A 139 13.004 8.991 -0.648 1.00 0.79 H new ATOM 0 HB2 GLN A 139 13.157 8.010 -2.976 1.00 0.92 H new ATOM 0 HB3 GLN A 139 11.407 7.907 -2.998 1.00 0.92 H new ATOM 0 HG2 GLN A 139 11.147 10.268 -2.973 1.00 1.04 H new ATOM 0 HG3 GLN A 139 12.801 10.535 -2.457 1.00 1.04 H new ATOM 0 HE21 GLN A 139 11.175 11.477 -4.838 1.00 1.28 H new ATOM 0 HE22 GLN A 139 12.173 11.077 -6.240 1.00 1.28 H new ATOM 1858 N ILE A 140 9.922 7.869 -0.484 1.00 0.60 N ATOM 1859 CA ILE A 140 8.593 8.186 0.035 1.00 0.52 C ATOM 1860 C ILE A 140 8.565 8.034 1.550 1.00 0.47 C ATOM 1861 O ILE A 140 7.896 8.795 2.250 1.00 0.48 O ATOM 1862 CB ILE A 140 7.468 7.306 -0.582 1.00 0.49 C ATOM 1863 CG1 ILE A 140 8.018 6.353 -1.647 1.00 0.57 C ATOM 1864 CG2 ILE A 140 6.379 8.190 -1.176 1.00 0.52 C ATOM 1865 CD1 ILE A 140 6.950 5.552 -2.361 1.00 1.12 C ATOM 0 H ILE A 140 10.035 6.909 -0.809 1.00 0.60 H new ATOM 0 HA ILE A 140 8.396 9.220 -0.250 1.00 0.52 H new ATOM 0 HB ILE A 140 7.042 6.699 0.217 1.00 0.49 H new ATOM 0 HG12 ILE A 140 8.579 6.930 -2.382 1.00 0.57 H new ATOM 0 HG13 ILE A 140 8.721 5.665 -1.177 1.00 0.57 H new ATOM 0 HG21 ILE A 140 5.596 7.564 -1.605 1.00 0.52 H new ATOM 0 HG22 ILE A 140 5.953 8.818 -0.394 1.00 0.52 H new ATOM 0 HG23 ILE A 140 6.807 8.821 -1.955 1.00 0.52 H new ATOM 0 HD11 ILE A 140 7.417 4.901 -3.100 1.00 1.12 H new ATOM 0 HD12 ILE A 140 6.404 4.947 -1.637 1.00 1.12 H new ATOM 0 HD13 ILE A 140 6.259 6.231 -2.861 1.00 1.12 H new ATOM 1869 N MET A 141 9.293 7.042 2.050 1.00 0.47 N ATOM 1870 CA MET A 141 9.348 6.785 3.484 1.00 0.51 C ATOM 1871 C MET A 141 10.419 7.632 4.170 1.00 0.62 C ATOM 1872 O MET A 141 10.141 8.320 5.152 1.00 0.71 O ATOM 1873 CB MET A 141 9.609 5.300 3.741 1.00 0.51 C ATOM 1874 CG MET A 141 8.482 4.397 3.264 1.00 0.53 C ATOM 1875 SD MET A 141 6.889 4.841 3.982 1.00 1.02 S ATOM 1876 CE MET A 141 6.128 5.720 2.617 1.00 0.44 C ATOM 0 H MET A 141 9.852 6.404 1.485 1.00 0.47 H new ATOM 0 HA MET A 141 8.383 7.063 3.908 1.00 0.51 H new ATOM 0 HB2 MET A 141 10.533 5.010 3.242 1.00 0.51 H new ATOM 0 HB3 MET A 141 9.761 5.145 4.809 1.00 0.51 H new ATOM 0 HG2 MET A 141 8.414 4.449 2.177 1.00 0.53 H new ATOM 0 HG3 MET A 141 8.716 3.364 3.519 1.00 0.53 H new ATOM 0 HE1 MET A 141 5.345 6.376 2.998 1.00 0.44 H new ATOM 0 HE2 MET A 141 6.882 6.316 2.102 1.00 0.44 H new ATOM 0 HE3 MET A 141 5.693 5.004 1.920 1.00 0.44 H new ATOM 1886 N GLN A 142 11.646 7.567 3.659 1.00 0.66 N ATOM 1887 CA GLN A 142 12.757 8.317 4.240 1.00 0.79 C ATOM 1888 C GLN A 142 12.839 9.736 3.680 1.00 0.80 C ATOM 1889 O GLN A 142 13.048 10.693 4.426 1.00 0.85 O ATOM 1890 CB GLN A 142 14.077 7.585 3.993 1.00 0.90 C ATOM 1891 CG GLN A 142 15.043 7.660 5.163 1.00 1.34 C ATOM 1892 CD GLN A 142 16.464 7.311 4.768 1.00 1.47 C ATOM 1893 OE1 GLN A 142 17.244 8.179 4.378 1.00 1.64 O ATOM 1894 NE2 GLN A 142 16.808 6.032 4.869 1.00 1.85 N ATOM 0 H GLN A 142 11.896 7.004 2.846 1.00 0.66 H new ATOM 0 HA GLN A 142 12.576 8.390 5.312 1.00 0.79 H new ATOM 0 HB2 GLN A 142 13.867 6.538 3.773 1.00 0.90 H new ATOM 0 HB3 GLN A 142 14.556 8.006 3.109 1.00 0.90 H new ATOM 0 HG2 GLN A 142 15.023 8.666 5.582 1.00 1.34 H new ATOM 0 HG3 GLN A 142 14.711 6.981 5.948 1.00 1.34 H new ATOM 0 HE21 GLN A 142 16.129 5.346 5.197 1.00 1.85 H new ATOM 0 HE22 GLN A 142 17.751 5.736 4.618 1.00 1.85 H new ATOM 1901 N GLY A 143 12.686 9.865 2.365 1.00 0.79 N ATOM 1902 CA GLY A 143 12.759 11.172 1.727 1.00 0.84 C ATOM 1903 C GLY A 143 11.970 12.238 2.464 1.00 0.81 C ATOM 1904 O GLY A 143 12.476 13.332 2.712 1.00 1.05 O ATOM 0 H GLY A 143 12.512 9.088 1.727 1.00 0.79 H new ATOM 0 HA2 GLY A 143 13.802 11.480 1.662 1.00 0.84 H new ATOM 0 HA3 GLY A 143 12.386 11.093 0.706 1.00 0.84 H new ATOM 1908 N LEU A 144 10.730 11.919 2.816 1.00 0.75 N ATOM 1909 CA LEU A 144 9.874 12.859 3.529 1.00 0.72 C ATOM 1910 C LEU A 144 10.225 12.901 5.015 1.00 0.87 C ATOM 1911 O LEU A 144 9.940 13.884 5.699 1.00 1.01 O ATOM 1912 CB LEU A 144 8.404 12.479 3.349 1.00 0.62 C ATOM 1913 CG LEU A 144 7.858 12.662 1.929 1.00 0.66 C ATOM 1914 CD1 LEU A 144 7.677 11.314 1.248 1.00 0.58 C ATOM 1915 CD2 LEU A 144 6.544 13.427 1.954 1.00 0.81 C ATOM 0 H LEU A 144 10.295 11.017 2.619 1.00 0.75 H new ATOM 0 HA LEU A 144 10.039 13.851 3.110 1.00 0.72 H new ATOM 0 HB2 LEU A 144 8.275 11.437 3.640 1.00 0.62 H new ATOM 0 HB3 LEU A 144 7.803 13.078 4.033 1.00 0.62 H new ATOM 0 HG LEU A 144 8.582 13.242 1.357 1.00 0.66 H new ATOM 0 HD11 LEU A 144 7.289 11.464 0.241 1.00 0.58 H new ATOM 0 HD12 LEU A 144 8.638 10.802 1.194 1.00 0.58 H new ATOM 0 HD13 LEU A 144 6.975 10.708 1.821 1.00 0.58 H new ATOM 0 HD21 LEU A 144 6.173 13.546 0.936 1.00 0.81 H new ATOM 0 HD22 LEU A 144 5.813 12.875 2.544 1.00 0.81 H new ATOM 0 HD23 LEU A 144 6.703 14.409 2.400 1.00 0.81 H new ATOM 1921 N GLY A 145 10.842 11.830 5.507 1.00 0.91 N ATOM 1922 CA GLY A 145 11.218 11.772 6.907 1.00 1.11 C ATOM 1923 C GLY A 145 10.019 11.832 7.831 1.00 1.11 C ATOM 1924 O GLY A 145 9.904 12.742 8.651 1.00 1.24 O ATOM 0 H GLY A 145 11.087 11.004 4.962 1.00 0.91 H new ATOM 0 HA2 GLY A 145 11.771 10.852 7.094 1.00 1.11 H new ATOM 0 HA3 GLY A 145 11.890 12.600 7.134 1.00 1.11 H new ATOM 1928 N PHE A 146 9.122 10.860 7.697 1.00 1.15 N ATOM 1929 CA PHE A 146 7.924 10.807 8.524 1.00 1.25 C ATOM 1930 C PHE A 146 8.285 10.627 9.995 1.00 1.47 C ATOM 1931 O PHE A 146 7.799 11.364 10.850 1.00 99.99 O ATOM 1932 CB PHE A 146 7.013 9.668 8.067 1.00 1.63 C ATOM 1933 CG PHE A 146 6.594 9.770 6.627 1.00 1.09 C ATOM 1934 CD1 PHE A 146 6.309 11.001 6.058 1.00 1.15 C ATOM 1935 CD2 PHE A 146 6.487 8.633 5.844 1.00 1.74 C ATOM 1936 CE1 PHE A 146 5.922 11.095 4.735 1.00 1.15 C ATOM 1937 CE2 PHE A 146 6.100 8.721 4.520 1.00 1.65 C ATOM 1938 CZ PHE A 146 5.818 9.954 3.965 1.00 0.93 C ATOM 0 H PHE A 146 9.203 10.099 7.023 1.00 1.15 H new ATOM 0 HA PHE A 146 7.394 11.753 8.412 1.00 1.25 H new ATOM 0 HB2 PHE A 146 7.527 8.719 8.220 1.00 1.63 H new ATOM 0 HB3 PHE A 146 6.122 9.653 8.695 1.00 1.63 H new ATOM 0 HD1 PHE A 146 6.390 11.897 6.655 1.00 1.15 H new ATOM 0 HD2 PHE A 146 6.708 7.667 6.273 1.00 1.74 H new ATOM 0 HE1 PHE A 146 5.701 12.060 4.304 1.00 1.15 H new ATOM 0 HE2 PHE A 146 6.018 7.827 3.920 1.00 1.65 H new ATOM 0 HZ PHE A 146 5.517 10.025 2.930 1.00 0.93 H new