USER MOD reduce.3.24.130724 H: found=0, std=0, add=746, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 736 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 HIS : no HD1:sc= -3.51! X(o=-5!,f=-5.2) USER MOD Set 1.2: A 21 SER OG : rot 130:sc= -1.5 USER MOD Single : A 1 ALA N :NH3+ 164:sc= 0 (180deg=-0.286) USER MOD Single : A 2 GLN : amide:sc= -1.85 K(o=-1.8,f=-3!) USER MOD Single : A 4 ASN : amide:sc= -0.192 K(o=-0.19,f=-0.8) USER MOD Single : A 9 SER OG : rot 53:sc= 1.28 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.397 K(o=0.4,f=-0.11) USER MOD Single : A 16 GLN : amide:sc= -1.81 K(o=-1.8,f=-5.4!) USER MOD Single : A 17 TYR OH : rot -120:sc= -3.35! USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 52:sc= -0.192 USER MOD Single : A 38 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 41 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.022) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.21) USER MOD Single : A 57 SER OG : rot 180:sc= -0.101 USER MOD Single : A 60 GLN : amide:sc= -0.502 X(o=-0.5,f=-0.07) USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= -0.0885 (180deg=-0.689) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.16) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 70 THR OG1 : rot 43:sc= 1.2 USER MOD Single : A 78 LYS NZ :NH3+ -166:sc= -0.0108 (180deg=-0.166) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.052) USER MOD Single : A 100 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.1) USER MOD Single : A 101 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.00054) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.0058) USER MOD Single : A 103 HIS : no HD1:sc= -0.357 K(o=-0.36,f=-1.2) USER MOD Single : A 104 HIS : no HD1:sc= -0.334 X(o=-0.33,f=0.0021) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.326 0.008 -0.348 1.00 0.00 N ATOM 2 CA ALA A 1 2.123 -0.037 -1.568 1.00 0.00 C ATOM 3 C ALA A 1 2.278 -1.469 -2.070 1.00 0.00 C ATOM 4 O ALA A 1 3.091 -2.233 -1.550 1.00 0.00 O ATOM 5 CB ALA A 1 3.488 0.591 -1.330 1.00 0.00 C ATOM 0 H1 ALA A 1 1.457 0.928 0.118 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.321 -0.120 -0.585 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.630 -0.752 0.294 1.00 0.00 H new ATOM 0 HA ALA A 1 1.601 0.535 -2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.072 0.551 -2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.362 1.630 -1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.009 0.043 -0.545 1.00 0.00 H new ATOM 11 N GLN A 2 1.493 -1.825 -3.081 1.00 0.00 N ATOM 12 CA GLN A 2 1.543 -3.166 -3.651 1.00 0.00 C ATOM 13 C GLN A 2 2.954 -3.506 -4.119 1.00 0.00 C ATOM 14 O GLN A 2 3.521 -2.817 -4.967 1.00 0.00 O ATOM 15 CB GLN A 2 0.563 -3.284 -4.819 1.00 0.00 C ATOM 16 CG GLN A 2 0.641 -4.616 -5.547 1.00 0.00 C ATOM 17 CD GLN A 2 0.187 -5.779 -4.687 1.00 0.00 C ATOM 18 OE1 GLN A 2 -0.837 -5.700 -4.006 1.00 0.00 O ATOM 19 NE2 GLN A 2 0.947 -6.867 -4.713 1.00 0.00 N ATOM 0 H GLN A 2 0.815 -1.204 -3.522 1.00 0.00 H new ATOM 0 HA GLN A 2 1.257 -3.875 -2.874 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.452 -3.142 -4.447 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.758 -2.480 -5.528 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.025 -4.571 -6.445 1.00 0.00 H new ATOM 0 HG3 GLN A 2 1.667 -4.788 -5.872 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.787 -6.889 -5.292 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.691 -7.681 -4.154 1.00 0.00 H new ATOM 28 N VAL A 3 3.516 -4.574 -3.562 1.00 0.00 N ATOM 29 CA VAL A 3 4.861 -5.006 -3.923 1.00 0.00 C ATOM 30 C VAL A 3 4.925 -6.520 -4.092 1.00 0.00 C ATOM 31 O VAL A 3 4.610 -7.272 -3.171 1.00 0.00 O ATOM 32 CB VAL A 3 5.892 -4.576 -2.863 1.00 0.00 C ATOM 33 CG1 VAL A 3 7.283 -5.060 -3.243 1.00 0.00 C ATOM 34 CG2 VAL A 3 5.875 -3.065 -2.685 1.00 0.00 C ATOM 0 H VAL A 3 3.061 -5.156 -2.859 1.00 0.00 H new ATOM 0 HA VAL A 3 5.103 -4.526 -4.871 1.00 0.00 H new ATOM 0 HB VAL A 3 5.621 -5.034 -1.912 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.998 -4.747 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.283 -6.148 -3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.567 -4.633 -4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.610 -2.779 -1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 3 6.120 -2.584 -3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.883 -2.748 -2.363 1.00 0.00 H new ATOM 44 N ASN A 4 5.335 -6.960 -5.278 1.00 0.00 N ATOM 45 CA ASN A 4 5.440 -8.386 -5.569 1.00 0.00 C ATOM 46 C ASN A 4 6.880 -8.769 -5.896 1.00 0.00 C ATOM 47 O ASN A 4 7.401 -8.420 -6.956 1.00 0.00 O ATOM 48 CB ASN A 4 4.524 -8.758 -6.736 1.00 0.00 C ATOM 49 CG ASN A 4 4.447 -7.663 -7.783 1.00 0.00 C ATOM 50 OD1 ASN A 4 3.799 -6.636 -7.577 1.00 0.00 O ATOM 51 ND2 ASN A 4 5.110 -7.878 -8.913 1.00 0.00 N ATOM 0 H ASN A 4 5.600 -6.351 -6.052 1.00 0.00 H new ATOM 0 HA ASN A 4 5.128 -8.937 -4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 4 4.886 -9.676 -7.200 1.00 0.00 H new ATOM 0 HB3 ASN A 4 3.523 -8.965 -6.357 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.096 -7.177 -9.654 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.634 -8.744 -9.040 1.00 0.00 H new ATOM 58 N ILE A 5 7.518 -9.489 -4.979 1.00 0.00 N ATOM 59 CA ILE A 5 8.896 -9.921 -5.170 1.00 0.00 C ATOM 60 C ILE A 5 9.000 -11.442 -5.172 1.00 0.00 C ATOM 61 O ILE A 5 8.387 -12.118 -4.346 1.00 0.00 O ATOM 62 CB ILE A 5 9.821 -9.356 -4.075 1.00 0.00 C ATOM 63 CG1 ILE A 5 9.796 -7.826 -4.095 1.00 0.00 C ATOM 64 CG2 ILE A 5 11.240 -9.871 -4.263 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.168 -7.199 -2.771 1.00 0.00 C ATOM 0 H ILE A 5 7.102 -9.785 -4.096 1.00 0.00 H new ATOM 0 HA ILE A 5 9.216 -9.536 -6.138 1.00 0.00 H new ATOM 0 HB ILE A 5 9.459 -9.694 -3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.483 -7.469 -4.862 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.799 -7.491 -4.379 1.00 0.00 H new ATOM 0 HG21 ILE A 5 11.882 -9.463 -3.482 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.243 -10.959 -4.203 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.614 -9.560 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.129 -6.113 -2.859 1.00 0.00 H new ATOM 0 HD12 ILE A 5 9.467 -7.526 -2.004 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.177 -7.505 -2.494 1.00 0.00 H new ATOM 77 N ALA A 6 9.782 -11.975 -6.106 1.00 0.00 N ATOM 78 CA ALA A 6 9.970 -13.417 -6.213 1.00 0.00 C ATOM 79 C ALA A 6 11.123 -13.887 -5.334 1.00 0.00 C ATOM 80 O ALA A 6 12.205 -13.299 -5.320 1.00 0.00 O ATOM 81 CB ALA A 6 10.213 -13.811 -7.663 1.00 0.00 C ATOM 0 H ALA A 6 10.295 -11.430 -6.799 1.00 0.00 H new ATOM 0 HA ALA A 6 9.060 -13.904 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.352 -14.890 -7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.355 -13.518 -8.268 1.00 0.00 H new ATOM 0 HB3 ALA A 6 11.106 -13.307 -8.032 1.00 0.00 H new ATOM 87 N PRO A 7 10.890 -14.972 -4.581 1.00 0.00 N ATOM 88 CA PRO A 7 11.898 -15.545 -3.684 1.00 0.00 C ATOM 89 C PRO A 7 13.046 -16.200 -4.446 1.00 0.00 C ATOM 90 O PRO A 7 13.222 -15.969 -5.641 1.00 0.00 O ATOM 91 CB PRO A 7 11.114 -16.595 -2.893 1.00 0.00 C ATOM 92 CG PRO A 7 9.978 -16.969 -3.782 1.00 0.00 C ATOM 93 CD PRO A 7 9.624 -15.724 -4.547 1.00 0.00 C ATOM 0 HA PRO A 7 12.368 -14.785 -3.060 1.00 0.00 H new ATOM 0 HB2 PRO A 7 11.735 -17.460 -2.659 1.00 0.00 H new ATOM 0 HB3 PRO A 7 10.759 -16.192 -1.945 1.00 0.00 H new ATOM 0 HG2 PRO A 7 10.261 -17.776 -4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 7 9.128 -17.325 -3.200 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.268 -15.957 -5.551 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.834 -15.159 -4.052 1.00 0.00 H new ATOM 101 N GLY A 8 13.825 -17.019 -3.745 1.00 0.00 N ATOM 102 CA GLY A 8 14.946 -17.694 -4.372 1.00 0.00 C ATOM 103 C GLY A 8 16.275 -17.050 -4.031 1.00 0.00 C ATOM 104 O GLY A 8 17.297 -17.360 -4.643 1.00 0.00 O ATOM 0 H GLY A 8 13.699 -17.227 -2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 8 14.960 -18.737 -4.057 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.810 -17.689 -5.454 1.00 0.00 H new ATOM 108 N SER A 9 16.261 -16.150 -3.053 1.00 0.00 N ATOM 109 CA SER A 9 17.474 -15.457 -2.636 1.00 0.00 C ATOM 110 C SER A 9 17.179 -14.482 -1.499 1.00 0.00 C ATOM 111 O SER A 9 16.567 -13.434 -1.708 1.00 0.00 O ATOM 112 CB SER A 9 18.091 -14.707 -3.818 1.00 0.00 C ATOM 113 OG SER A 9 19.095 -15.485 -4.447 1.00 0.00 O ATOM 0 H SER A 9 15.424 -15.884 -2.535 1.00 0.00 H new ATOM 0 HA SER A 9 18.184 -16.203 -2.278 1.00 0.00 H new ATOM 0 HB2 SER A 9 17.314 -14.458 -4.540 1.00 0.00 H new ATOM 0 HB3 SER A 9 18.519 -13.766 -3.472 1.00 0.00 H new ATOM 0 HG SER A 9 18.733 -16.368 -4.671 1.00 0.00 H new ATOM 119 N LEU A 10 17.618 -14.836 -0.296 1.00 0.00 N ATOM 120 CA LEU A 10 17.402 -13.993 0.875 1.00 0.00 C ATOM 121 C LEU A 10 18.046 -12.624 0.687 1.00 0.00 C ATOM 122 O LEU A 10 17.497 -11.605 1.108 1.00 0.00 O ATOM 123 CB LEU A 10 17.968 -14.669 2.125 1.00 0.00 C ATOM 124 CG LEU A 10 17.645 -13.994 3.458 1.00 0.00 C ATOM 125 CD1 LEU A 10 17.585 -15.022 4.577 1.00 0.00 C ATOM 126 CD2 LEU A 10 18.674 -12.918 3.774 1.00 0.00 C ATOM 0 H LEU A 10 18.125 -15.700 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 10 16.328 -13.854 0.999 1.00 0.00 H new ATOM 0 HB2 LEU A 10 17.596 -15.693 2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 10 19.052 -14.727 2.023 1.00 0.00 H new ATOM 0 HG LEU A 10 16.667 -13.520 3.376 1.00 0.00 H new ATOM 0 HD11 LEU A 10 17.354 -14.523 5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 10 16.810 -15.756 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 10 18.548 -15.526 4.660 1.00 0.00 H new ATOM 0 HD21 LEU A 10 18.428 -12.448 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 10 19.664 -13.369 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 10 18.667 -12.165 2.986 1.00 0.00 H new ATOM 138 N ASP A 11 19.212 -12.607 0.051 1.00 0.00 N ATOM 139 CA ASP A 11 19.930 -11.362 -0.196 1.00 0.00 C ATOM 140 C ASP A 11 19.177 -10.489 -1.196 1.00 0.00 C ATOM 141 O ASP A 11 18.925 -9.311 -0.942 1.00 0.00 O ATOM 142 CB ASP A 11 21.338 -11.655 -0.716 1.00 0.00 C ATOM 143 CG ASP A 11 21.960 -10.458 -1.410 1.00 0.00 C ATOM 144 OD1 ASP A 11 21.668 -10.247 -2.605 1.00 0.00 O ATOM 145 OD2 ASP A 11 22.740 -9.733 -0.757 1.00 0.00 O ATOM 0 H ASP A 11 19.680 -13.441 -0.303 1.00 0.00 H new ATOM 0 HA ASP A 11 20.004 -10.821 0.748 1.00 0.00 H new ATOM 0 HB2 ASP A 11 21.973 -11.960 0.116 1.00 0.00 H new ATOM 0 HB3 ASP A 11 21.298 -12.494 -1.411 1.00 0.00 H new ATOM 150 N LYS A 12 18.820 -11.075 -2.333 1.00 0.00 N ATOM 151 CA LYS A 12 18.095 -10.352 -3.372 1.00 0.00 C ATOM 152 C LYS A 12 16.733 -9.891 -2.865 1.00 0.00 C ATOM 153 O LYS A 12 16.364 -8.728 -3.019 1.00 0.00 O ATOM 154 CB LYS A 12 17.918 -11.237 -4.609 1.00 0.00 C ATOM 155 CG LYS A 12 19.230 -11.714 -5.208 1.00 0.00 C ATOM 156 CD LYS A 12 19.236 -11.573 -6.720 1.00 0.00 C ATOM 157 CE LYS A 12 19.431 -10.125 -7.144 1.00 0.00 C ATOM 158 NZ LYS A 12 19.197 -9.938 -8.603 1.00 0.00 N ATOM 0 H LYS A 12 19.021 -12.049 -2.559 1.00 0.00 H new ATOM 0 HA LYS A 12 18.679 -9.472 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.314 -12.104 -4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.363 -10.683 -5.366 1.00 0.00 H new ATOM 0 HG2 LYS A 12 20.054 -11.140 -4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.396 -12.757 -4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 12 20.033 -12.187 -7.141 1.00 0.00 H new ATOM 0 HD3 LYS A 12 18.296 -11.949 -7.125 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.749 -9.487 -6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 12 20.443 -9.807 -6.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.340 -8.938 -8.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 19.865 -10.527 -9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.223 -10.217 -8.837 1.00 0.00 H new ATOM 172 N ALA A 13 15.990 -10.811 -2.257 1.00 0.00 N ATOM 173 CA ALA A 13 14.671 -10.498 -1.724 1.00 0.00 C ATOM 174 C ALA A 13 14.720 -9.268 -0.823 1.00 0.00 C ATOM 175 O ALA A 13 13.831 -8.417 -0.867 1.00 0.00 O ATOM 176 CB ALA A 13 14.112 -11.690 -0.961 1.00 0.00 C ATOM 0 H ALA A 13 16.280 -11.779 -2.122 1.00 0.00 H new ATOM 0 HA ALA A 13 14.012 -10.276 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.126 -11.441 -0.569 1.00 0.00 H new ATOM 0 HB2 ALA A 13 14.030 -12.545 -1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 13 14.779 -11.939 -0.135 1.00 0.00 H new ATOM 182 N LEU A 14 15.765 -9.180 -0.007 1.00 0.00 N ATOM 183 CA LEU A 14 15.930 -8.054 0.905 1.00 0.00 C ATOM 184 C LEU A 14 16.186 -6.763 0.135 1.00 0.00 C ATOM 185 O LEU A 14 15.747 -5.688 0.542 1.00 0.00 O ATOM 186 CB LEU A 14 17.084 -8.322 1.873 1.00 0.00 C ATOM 187 CG LEU A 14 18.409 -7.632 1.546 1.00 0.00 C ATOM 188 CD1 LEU A 14 18.422 -6.214 2.096 1.00 0.00 C ATOM 189 CD2 LEU A 14 19.578 -8.432 2.099 1.00 0.00 C ATOM 0 H LEU A 14 16.510 -9.875 0.041 1.00 0.00 H new ATOM 0 HA LEU A 14 15.007 -7.939 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.773 -8.013 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.257 -9.397 1.911 1.00 0.00 H new ATOM 0 HG LEU A 14 18.512 -7.580 0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 14 19.372 -5.739 1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 14 17.607 -5.644 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 14 18.296 -6.242 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.512 -7.926 1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 14 19.481 -8.517 3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.579 -9.428 1.656 1.00 0.00 H new ATOM 201 N ASN A 15 16.899 -6.877 -0.981 1.00 0.00 N ATOM 202 CA ASN A 15 17.212 -5.718 -1.810 1.00 0.00 C ATOM 203 C ASN A 15 15.993 -5.281 -2.616 1.00 0.00 C ATOM 204 O ASN A 15 15.798 -4.092 -2.868 1.00 0.00 O ATOM 205 CB ASN A 15 18.373 -6.039 -2.753 1.00 0.00 C ATOM 206 CG ASN A 15 19.724 -5.879 -2.083 1.00 0.00 C ATOM 207 OD1 ASN A 15 20.407 -4.872 -2.271 1.00 0.00 O ATOM 208 ND2 ASN A 15 20.116 -6.874 -1.297 1.00 0.00 N ATOM 0 H ASN A 15 17.271 -7.760 -1.332 1.00 0.00 H new ATOM 0 HA ASN A 15 17.503 -4.899 -1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.270 -7.061 -3.117 1.00 0.00 H new ATOM 0 HB3 ASN A 15 18.322 -5.384 -3.623 1.00 0.00 H new ATOM 0 HD21 ASN A 15 21.016 -6.823 -0.820 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.517 -7.690 -1.170 1.00 0.00 H new ATOM 215 N GLN A 16 15.175 -6.250 -3.015 1.00 0.00 N ATOM 216 CA GLN A 16 13.975 -5.964 -3.793 1.00 0.00 C ATOM 217 C GLN A 16 13.044 -5.026 -3.031 1.00 0.00 C ATOM 218 O GLN A 16 12.681 -3.959 -3.527 1.00 0.00 O ATOM 219 CB GLN A 16 13.242 -7.262 -4.135 1.00 0.00 C ATOM 220 CG GLN A 16 14.129 -8.305 -4.796 1.00 0.00 C ATOM 221 CD GLN A 16 13.746 -8.566 -6.240 1.00 0.00 C ATOM 222 OE1 GLN A 16 12.657 -8.196 -6.682 1.00 0.00 O ATOM 223 NE2 GLN A 16 14.640 -9.205 -6.984 1.00 0.00 N ATOM 0 H GLN A 16 15.321 -7.239 -2.813 1.00 0.00 H new ATOM 0 HA GLN A 16 14.280 -5.473 -4.717 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.819 -7.682 -3.222 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.407 -7.034 -4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.167 -7.974 -4.753 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.069 -9.237 -4.234 1.00 0.00 H new ATOM 0 HE21 GLN A 16 15.530 -9.493 -6.577 1.00 0.00 H new ATOM 0 HE22 GLN A 16 14.437 -9.408 -7.963 1.00 0.00 H new ATOM 232 N TYR A 17 12.662 -5.431 -1.826 1.00 0.00 N ATOM 233 CA TYR A 17 11.770 -4.628 -0.997 1.00 0.00 C ATOM 234 C TYR A 17 12.475 -3.369 -0.500 1.00 0.00 C ATOM 235 O TYR A 17 11.866 -2.306 -0.387 1.00 0.00 O ATOM 236 CB TYR A 17 11.268 -5.448 0.192 1.00 0.00 C ATOM 237 CG TYR A 17 12.121 -5.301 1.433 1.00 0.00 C ATOM 238 CD1 TYR A 17 11.889 -4.276 2.341 1.00 0.00 C ATOM 239 CD2 TYR A 17 13.157 -6.188 1.696 1.00 0.00 C ATOM 240 CE1 TYR A 17 12.666 -4.137 3.475 1.00 0.00 C ATOM 241 CE2 TYR A 17 13.938 -6.058 2.828 1.00 0.00 C ATOM 242 CZ TYR A 17 13.689 -5.031 3.714 1.00 0.00 C ATOM 243 OH TYR A 17 14.464 -4.897 4.843 1.00 0.00 O ATOM 0 H TYR A 17 12.956 -6.310 -1.401 1.00 0.00 H new ATOM 0 HA TYR A 17 10.919 -4.329 -1.608 1.00 0.00 H new ATOM 0 HB2 TYR A 17 10.247 -5.146 0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 17 11.233 -6.500 -0.092 1.00 0.00 H new ATOM 0 HD1 TYR A 17 11.088 -3.576 2.158 1.00 0.00 H new ATOM 0 HD2 TYR A 17 13.355 -6.993 1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.474 -3.333 4.170 1.00 0.00 H new ATOM 0 HE2 TYR A 17 14.739 -6.757 3.018 1.00 0.00 H new ATOM 0 HH TYR A 17 15.400 -4.766 4.584 1.00 0.00 H new ATOM 253 N ALA A 18 13.764 -3.499 -0.204 1.00 0.00 N ATOM 254 CA ALA A 18 14.554 -2.373 0.279 1.00 0.00 C ATOM 255 C ALA A 18 14.548 -1.227 -0.727 1.00 0.00 C ATOM 256 O ALA A 18 14.529 -0.056 -0.348 1.00 0.00 O ATOM 257 CB ALA A 18 15.981 -2.815 0.569 1.00 0.00 C ATOM 0 H ALA A 18 14.283 -4.373 -0.290 1.00 0.00 H new ATOM 0 HA ALA A 18 14.102 -2.014 1.203 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.559 -1.964 0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.973 -3.596 1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 18 16.435 -3.202 -0.343 1.00 0.00 H new ATOM 263 N ALA A 19 14.566 -1.572 -2.011 1.00 0.00 N ATOM 264 CA ALA A 19 14.562 -0.571 -3.071 1.00 0.00 C ATOM 265 C ALA A 19 13.194 0.092 -3.194 1.00 0.00 C ATOM 266 O ALA A 19 13.092 1.265 -3.553 1.00 0.00 O ATOM 267 CB ALA A 19 14.965 -1.204 -4.395 1.00 0.00 C ATOM 0 H ALA A 19 14.583 -2.537 -2.342 1.00 0.00 H new ATOM 0 HA ALA A 19 15.288 0.200 -2.813 1.00 0.00 H new ATOM 0 HB1 ALA A 19 14.958 -0.446 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 19 15.966 -1.625 -4.307 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.260 -1.995 -4.650 1.00 0.00 H new ATOM 273 N HIS A 20 12.144 -0.667 -2.894 1.00 0.00 N ATOM 274 CA HIS A 20 10.782 -0.152 -2.971 1.00 0.00 C ATOM 275 C HIS A 20 10.466 0.732 -1.769 1.00 0.00 C ATOM 276 O HIS A 20 9.624 1.626 -1.847 1.00 0.00 O ATOM 277 CB HIS A 20 9.782 -1.306 -3.046 1.00 0.00 C ATOM 278 CG HIS A 20 8.925 -1.437 -1.825 1.00 0.00 C ATOM 279 ND1 HIS A 20 7.832 -0.631 -1.583 1.00 0.00 N ATOM 280 CD2 HIS A 20 9.004 -2.287 -0.775 1.00 0.00 C ATOM 281 CE1 HIS A 20 7.277 -0.979 -0.436 1.00 0.00 C ATOM 282 NE2 HIS A 20 7.969 -1.982 0.075 1.00 0.00 N ATOM 0 H HIS A 20 12.211 -1.640 -2.596 1.00 0.00 H new ATOM 0 HA HIS A 20 10.699 0.451 -3.875 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.141 -1.164 -3.916 1.00 0.00 H new ATOM 0 HB3 HIS A 20 10.326 -2.238 -3.199 1.00 0.00 H new ATOM 0 HD2 HIS A 20 9.743 -3.061 -0.632 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.406 -0.521 0.009 1.00 0.00 H new ATOM 0 HE2 HIS A 20 7.767 -2.453 0.957 1.00 0.00 H new ATOM 290 N SER A 21 11.148 0.476 -0.657 1.00 0.00 N ATOM 291 CA SER A 21 10.937 1.246 0.564 1.00 0.00 C ATOM 292 C SER A 21 11.700 2.566 0.512 1.00 0.00 C ATOM 293 O SER A 21 11.113 3.641 0.629 1.00 0.00 O ATOM 294 CB SER A 21 11.377 0.437 1.785 1.00 0.00 C ATOM 295 OG SER A 21 10.445 -0.589 2.080 1.00 0.00 O ATOM 0 H SER A 21 11.851 -0.258 -0.576 1.00 0.00 H new ATOM 0 HA SER A 21 9.872 1.465 0.647 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.358 -0.001 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 21 11.479 1.098 2.646 1.00 0.00 H new ATOM 0 HG SER A 21 10.918 -1.441 2.185 1.00 0.00 H new ATOM 301 N GLY A 22 13.015 2.476 0.336 1.00 0.00 N ATOM 302 CA GLY A 22 13.838 3.669 0.272 1.00 0.00 C ATOM 303 C GLY A 22 14.675 3.864 1.521 1.00 0.00 C ATOM 304 O GLY A 22 14.983 4.994 1.901 1.00 0.00 O ATOM 0 H GLY A 22 13.525 1.598 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.495 3.607 -0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.199 4.540 0.127 1.00 0.00 H new ATOM 308 N PHE A 23 15.043 2.760 2.163 1.00 0.00 N ATOM 309 CA PHE A 23 15.847 2.815 3.379 1.00 0.00 C ATOM 310 C PHE A 23 17.004 1.822 3.310 1.00 0.00 C ATOM 311 O PHE A 23 17.073 0.992 2.404 1.00 0.00 O ATOM 312 CB PHE A 23 14.978 2.519 4.603 1.00 0.00 C ATOM 313 CG PHE A 23 14.749 1.053 4.836 1.00 0.00 C ATOM 314 CD1 PHE A 23 14.016 0.301 3.932 1.00 0.00 C ATOM 315 CD2 PHE A 23 15.266 0.427 5.958 1.00 0.00 C ATOM 316 CE1 PHE A 23 13.802 -1.048 4.144 1.00 0.00 C ATOM 317 CE2 PHE A 23 15.057 -0.922 6.175 1.00 0.00 C ATOM 318 CZ PHE A 23 14.324 -1.660 5.266 1.00 0.00 C ATOM 0 H PHE A 23 14.798 1.817 1.862 1.00 0.00 H new ATOM 0 HA PHE A 23 16.259 3.820 3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 23 15.450 2.950 5.486 1.00 0.00 H new ATOM 0 HB3 PHE A 23 14.015 3.014 4.483 1.00 0.00 H new ATOM 0 HD1 PHE A 23 13.607 0.774 3.052 1.00 0.00 H new ATOM 0 HD2 PHE A 23 15.839 1.000 6.672 1.00 0.00 H new ATOM 0 HE1 PHE A 23 13.227 -1.623 3.433 1.00 0.00 H new ATOM 0 HE2 PHE A 23 15.466 -1.398 7.054 1.00 0.00 H new ATOM 0 HZ PHE A 23 14.160 -2.714 5.433 1.00 0.00 H new ATOM 328 N THR A 24 17.913 1.915 4.276 1.00 0.00 N ATOM 329 CA THR A 24 19.068 1.028 4.326 1.00 0.00 C ATOM 330 C THR A 24 18.905 -0.027 5.414 1.00 0.00 C ATOM 331 O THR A 24 18.254 0.212 6.432 1.00 0.00 O ATOM 332 CB THR A 24 20.369 1.814 4.579 1.00 0.00 C ATOM 333 OG1 THR A 24 20.473 2.901 3.654 1.00 0.00 O ATOM 334 CG2 THR A 24 21.584 0.908 4.443 1.00 0.00 C ATOM 0 H THR A 24 17.871 2.596 5.034 1.00 0.00 H new ATOM 0 HA THR A 24 19.132 0.537 3.355 1.00 0.00 H new ATOM 0 HB THR A 24 20.339 2.205 5.596 1.00 0.00 H new ATOM 0 HG1 THR A 24 21.302 3.396 3.823 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.490 1.485 4.626 1.00 0.00 H new ATOM 0 HG22 THR A 24 21.517 0.098 5.169 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.616 0.491 3.436 1.00 0.00 H new ATOM 342 N LEU A 25 19.500 -1.194 5.194 1.00 0.00 N ATOM 343 CA LEU A 25 19.422 -2.287 6.157 1.00 0.00 C ATOM 344 C LEU A 25 20.770 -2.984 6.300 1.00 0.00 C ATOM 345 O LEU A 25 21.439 -3.274 5.309 1.00 0.00 O ATOM 346 CB LEU A 25 18.355 -3.296 5.727 1.00 0.00 C ATOM 347 CG LEU A 25 18.137 -4.483 6.666 1.00 0.00 C ATOM 348 CD1 LEU A 25 16.866 -4.294 7.479 1.00 0.00 C ATOM 349 CD2 LEU A 25 18.080 -5.783 5.877 1.00 0.00 C ATOM 0 H LEU A 25 20.042 -1.408 4.357 1.00 0.00 H new ATOM 0 HA LEU A 25 19.147 -1.867 7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 25 17.408 -2.768 5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 25 18.623 -3.681 4.743 1.00 0.00 H new ATOM 0 HG LEU A 25 18.980 -4.536 7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.727 -5.148 8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 25 16.946 -3.384 8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 25 16.012 -4.214 6.806 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.924 -6.617 6.561 1.00 0.00 H new ATOM 0 HD22 LEU A 25 17.257 -5.740 5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.018 -5.924 5.340 1.00 0.00 H new ATOM 361 N SER A 26 21.163 -3.253 7.542 1.00 0.00 N ATOM 362 CA SER A 26 22.432 -3.916 7.815 1.00 0.00 C ATOM 363 C SER A 26 22.208 -5.246 8.528 1.00 0.00 C ATOM 364 O SER A 26 21.918 -5.282 9.724 1.00 0.00 O ATOM 365 CB SER A 26 23.330 -3.014 8.665 1.00 0.00 C ATOM 366 OG SER A 26 24.656 -2.999 8.166 1.00 0.00 O ATOM 0 H SER A 26 20.620 -3.022 8.374 1.00 0.00 H new ATOM 0 HA SER A 26 22.923 -4.113 6.862 1.00 0.00 H new ATOM 0 HB2 SER A 26 22.930 -2.000 8.673 1.00 0.00 H new ATOM 0 HB3 SER A 26 23.330 -3.365 9.697 1.00 0.00 H new ATOM 0 HG SER A 26 25.209 -2.414 8.725 1.00 0.00 H new ATOM 372 N VAL A 27 22.345 -6.340 7.784 1.00 0.00 N ATOM 373 CA VAL A 27 22.159 -7.673 8.344 1.00 0.00 C ATOM 374 C VAL A 27 23.316 -8.593 7.968 1.00 0.00 C ATOM 375 O VAL A 27 23.788 -8.580 6.831 1.00 0.00 O ATOM 376 CB VAL A 27 20.839 -8.304 7.863 1.00 0.00 C ATOM 377 CG1 VAL A 27 20.691 -8.152 6.357 1.00 0.00 C ATOM 378 CG2 VAL A 27 20.770 -9.768 8.269 1.00 0.00 C ATOM 0 H VAL A 27 22.584 -6.329 6.792 1.00 0.00 H new ATOM 0 HA VAL A 27 22.126 -7.560 9.428 1.00 0.00 H new ATOM 0 HB VAL A 27 20.011 -7.779 8.339 1.00 0.00 H new ATOM 0 HG11 VAL A 27 19.752 -8.604 6.036 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.692 -7.094 6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.522 -8.649 5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 27 19.831 -10.198 7.921 1.00 0.00 H new ATOM 0 HG22 VAL A 27 21.604 -10.309 7.823 1.00 0.00 H new ATOM 0 HG23 VAL A 27 20.825 -9.847 9.355 1.00 0.00 H new ATOM 388 N ASP A 28 23.767 -9.390 8.930 1.00 0.00 N ATOM 389 CA ASP A 28 24.867 -10.319 8.700 1.00 0.00 C ATOM 390 C ASP A 28 24.596 -11.192 7.479 1.00 0.00 C ATOM 391 O ASP A 28 23.822 -12.146 7.545 1.00 0.00 O ATOM 392 CB ASP A 28 25.087 -11.198 9.932 1.00 0.00 C ATOM 393 CG ASP A 28 26.516 -11.690 10.045 1.00 0.00 C ATOM 394 OD1 ASP A 28 27.349 -11.292 9.204 1.00 0.00 O ATOM 395 OD2 ASP A 28 26.802 -12.472 10.976 1.00 0.00 O ATOM 0 H ASP A 28 23.388 -9.411 9.877 1.00 0.00 H new ATOM 0 HA ASP A 28 25.769 -9.736 8.514 1.00 0.00 H new ATOM 0 HB2 ASP A 28 24.828 -10.634 10.828 1.00 0.00 H new ATOM 0 HB3 ASP A 28 24.414 -12.054 9.889 1.00 0.00 H new ATOM 400 N ALA A 29 25.238 -10.857 6.364 1.00 0.00 N ATOM 401 CA ALA A 29 25.066 -11.610 5.128 1.00 0.00 C ATOM 402 C ALA A 29 25.788 -12.952 5.198 1.00 0.00 C ATOM 403 O ALA A 29 25.657 -13.786 4.303 1.00 0.00 O ATOM 404 CB ALA A 29 25.568 -10.800 3.942 1.00 0.00 C ATOM 0 H ALA A 29 25.882 -10.069 6.292 1.00 0.00 H new ATOM 0 HA ALA A 29 24.002 -11.806 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 29 25.433 -11.375 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.005 -9.869 3.873 1.00 0.00 H new ATOM 0 HB3 ALA A 29 26.626 -10.575 4.077 1.00 0.00 H new ATOM 410 N SER A 30 26.551 -13.153 6.268 1.00 0.00 N ATOM 411 CA SER A 30 27.298 -14.391 6.453 1.00 0.00 C ATOM 412 C SER A 30 26.390 -15.605 6.275 1.00 0.00 C ATOM 413 O SER A 30 26.729 -16.549 5.561 1.00 0.00 O ATOM 414 CB SER A 30 27.942 -14.421 7.840 1.00 0.00 C ATOM 415 OG SER A 30 28.906 -15.456 7.932 1.00 0.00 O ATOM 0 H SER A 30 26.668 -12.474 7.020 1.00 0.00 H new ATOM 0 HA SER A 30 28.081 -14.430 5.696 1.00 0.00 H new ATOM 0 HB2 SER A 30 28.414 -13.460 8.046 1.00 0.00 H new ATOM 0 HB3 SER A 30 27.173 -14.567 8.598 1.00 0.00 H new ATOM 0 HG SER A 30 29.304 -15.453 8.827 1.00 0.00 H new ATOM 421 N LEU A 31 25.234 -15.572 6.929 1.00 0.00 N ATOM 422 CA LEU A 31 24.275 -16.668 6.844 1.00 0.00 C ATOM 423 C LEU A 31 23.429 -16.554 5.580 1.00 0.00 C ATOM 424 O LEU A 31 22.998 -17.561 5.016 1.00 0.00 O ATOM 425 CB LEU A 31 23.372 -16.678 8.078 1.00 0.00 C ATOM 426 CG LEU A 31 24.009 -16.194 9.381 1.00 0.00 C ATOM 427 CD1 LEU A 31 23.672 -14.732 9.630 1.00 0.00 C ATOM 428 CD2 LEU A 31 23.553 -17.055 10.550 1.00 0.00 C ATOM 0 H LEU A 31 24.938 -14.798 7.524 1.00 0.00 H new ATOM 0 HA LEU A 31 24.832 -17.604 6.802 1.00 0.00 H new ATOM 0 HB2 LEU A 31 22.501 -16.057 7.871 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.010 -17.695 8.230 1.00 0.00 H new ATOM 0 HG LEU A 31 25.091 -16.285 9.289 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.134 -14.406 10.562 1.00 0.00 H new ATOM 0 HD12 LEU A 31 24.049 -14.126 8.806 1.00 0.00 H new ATOM 0 HD13 LEU A 31 22.591 -14.615 9.701 1.00 0.00 H new ATOM 0 HD21 LEU A 31 24.016 -16.696 11.469 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.469 -16.997 10.644 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.847 -18.090 10.376 1.00 0.00 H new ATOM 440 N THR A 32 23.196 -15.322 5.139 1.00 0.00 N ATOM 441 CA THR A 32 22.402 -15.077 3.942 1.00 0.00 C ATOM 442 C THR A 32 22.974 -15.821 2.740 1.00 0.00 C ATOM 443 O THR A 32 22.238 -16.220 1.838 1.00 0.00 O ATOM 444 CB THR A 32 22.330 -13.573 3.614 1.00 0.00 C ATOM 445 OG1 THR A 32 21.619 -12.880 4.646 1.00 0.00 O ATOM 446 CG2 THR A 32 21.643 -13.344 2.276 1.00 0.00 C ATOM 0 H THR A 32 23.546 -14.478 5.593 1.00 0.00 H new ATOM 0 HA THR A 32 21.397 -15.445 4.149 1.00 0.00 H new ATOM 0 HB THR A 32 23.348 -13.187 3.553 1.00 0.00 H new ATOM 0 HG1 THR A 32 21.579 -11.925 4.431 1.00 0.00 H new ATOM 0 HG21 THR A 32 21.604 -12.275 2.065 1.00 0.00 H new ATOM 0 HG22 THR A 32 22.203 -13.849 1.489 1.00 0.00 H new ATOM 0 HG23 THR A 32 20.630 -13.744 2.314 1.00 0.00 H new ATOM 454 N ARG A 33 24.290 -16.004 2.736 1.00 0.00 N ATOM 455 CA ARG A 33 24.961 -16.700 1.645 1.00 0.00 C ATOM 456 C ARG A 33 24.387 -18.101 1.459 1.00 0.00 C ATOM 457 O ARG A 33 24.696 -19.016 2.220 1.00 0.00 O ATOM 458 CB ARG A 33 26.465 -16.785 1.914 1.00 0.00 C ATOM 459 CG ARG A 33 27.257 -15.638 1.310 1.00 0.00 C ATOM 460 CD ARG A 33 27.165 -15.634 -0.208 1.00 0.00 C ATOM 461 NE ARG A 33 28.412 -16.063 -0.833 1.00 0.00 N ATOM 462 CZ ARG A 33 28.495 -16.501 -2.085 1.00 0.00 C ATOM 463 NH1 ARG A 33 27.407 -16.567 -2.840 1.00 0.00 N ATOM 464 NH2 ARG A 33 29.666 -16.874 -2.583 1.00 0.00 N ATOM 0 H ARG A 33 24.913 -15.680 3.476 1.00 0.00 H new ATOM 0 HA ARG A 33 24.794 -16.133 0.729 1.00 0.00 H new ATOM 0 HB2 ARG A 33 26.632 -16.804 2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.844 -17.726 1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.883 -14.691 1.700 1.00 0.00 H new ATOM 0 HG3 ARG A 33 28.301 -15.717 1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 33 26.356 -16.293 -0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 33 26.913 -14.631 -0.553 1.00 0.00 H new ATOM 0 HE ARG A 33 29.267 -16.025 -0.278 1.00 0.00 H new ATOM 0 HH11 ARG A 33 26.505 -16.281 -2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 33 27.473 -16.903 -3.801 1.00 0.00 H new ATOM 0 HH21 ARG A 33 30.505 -16.825 -2.005 1.00 0.00 H new ATOM 0 HH22 ARG A 33 29.728 -17.210 -3.544 1.00 0.00 H new ATOM 478 N GLY A 34 23.547 -18.261 0.440 1.00 0.00 N ATOM 479 CA GLY A 34 22.941 -19.553 0.173 1.00 0.00 C ATOM 480 C GLY A 34 21.542 -19.667 0.745 1.00 0.00 C ATOM 481 O GLY A 34 20.740 -20.481 0.287 1.00 0.00 O ATOM 0 H GLY A 34 23.276 -17.519 -0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 34 22.904 -19.718 -0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 34 23.568 -20.339 0.595 1.00 0.00 H new ATOM 485 N LYS A 35 21.247 -18.850 1.751 1.00 0.00 N ATOM 486 CA LYS A 35 19.936 -18.862 2.388 1.00 0.00 C ATOM 487 C LYS A 35 18.901 -18.157 1.516 1.00 0.00 C ATOM 488 O LYS A 35 19.235 -17.256 0.748 1.00 0.00 O ATOM 489 CB LYS A 35 20.006 -18.188 3.760 1.00 0.00 C ATOM 490 CG LYS A 35 19.671 -19.119 4.912 1.00 0.00 C ATOM 491 CD LYS A 35 20.148 -18.556 6.241 1.00 0.00 C ATOM 492 CE LYS A 35 19.500 -17.213 6.541 1.00 0.00 C ATOM 493 NZ LYS A 35 19.120 -17.089 7.975 1.00 0.00 N ATOM 0 H LYS A 35 21.899 -18.171 2.143 1.00 0.00 H new ATOM 0 HA LYS A 35 19.632 -19.901 2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 35 21.009 -17.787 3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.319 -17.342 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 35 18.594 -19.280 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.133 -20.092 4.741 1.00 0.00 H new ATOM 0 HD2 LYS A 35 19.916 -19.260 7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.232 -18.442 6.221 1.00 0.00 H new ATOM 0 HE2 LYS A 35 20.189 -16.410 6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.614 -17.090 5.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.682 -16.160 8.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.443 -17.839 8.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 19.969 -17.181 8.568 1.00 0.00 H new ATOM 507 N GLN A 36 17.645 -18.574 1.642 1.00 0.00 N ATOM 508 CA GLN A 36 16.563 -17.981 0.865 1.00 0.00 C ATOM 509 C GLN A 36 15.522 -17.346 1.780 1.00 0.00 C ATOM 510 O GLN A 36 15.642 -17.397 3.004 1.00 0.00 O ATOM 511 CB GLN A 36 15.903 -19.040 -0.020 1.00 0.00 C ATOM 512 CG GLN A 36 15.047 -20.031 0.751 1.00 0.00 C ATOM 513 CD GLN A 36 15.482 -21.467 0.538 1.00 0.00 C ATOM 514 OE1 GLN A 36 16.294 -22.001 1.295 1.00 0.00 O ATOM 515 NE2 GLN A 36 14.943 -22.102 -0.496 1.00 0.00 N ATOM 0 H GLN A 36 17.352 -19.319 2.274 1.00 0.00 H new ATOM 0 HA GLN A 36 16.988 -17.202 0.232 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.284 -18.543 -0.767 1.00 0.00 H new ATOM 0 HB3 GLN A 36 16.678 -19.585 -0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.093 -19.795 1.814 1.00 0.00 H new ATOM 0 HG3 GLN A 36 14.006 -19.921 0.445 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.274 -21.621 -1.098 1.00 0.00 H new ATOM 0 HE22 GLN A 36 15.198 -23.071 -0.689 1.00 0.00 H new ATOM 524 N SER A 37 14.499 -16.746 1.178 1.00 0.00 N ATOM 525 CA SER A 37 13.438 -16.097 1.939 1.00 0.00 C ATOM 526 C SER A 37 12.196 -15.895 1.076 1.00 0.00 C ATOM 527 O SER A 37 12.294 -15.674 -0.130 1.00 0.00 O ATOM 528 CB SER A 37 13.921 -14.750 2.480 1.00 0.00 C ATOM 529 OG SER A 37 12.829 -13.932 2.863 1.00 0.00 O ATOM 0 H SER A 37 14.383 -16.696 0.166 1.00 0.00 H new ATOM 0 HA SER A 37 13.176 -16.744 2.776 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.576 -14.912 3.336 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.512 -14.240 1.719 1.00 0.00 H new ATOM 0 HG SER A 37 12.237 -14.435 3.460 1.00 0.00 H new ATOM 535 N ASN A 38 11.028 -15.974 1.705 1.00 0.00 N ATOM 536 CA ASN A 38 9.765 -15.801 0.996 1.00 0.00 C ATOM 537 C ASN A 38 9.581 -14.352 0.558 1.00 0.00 C ATOM 538 O ASN A 38 9.573 -13.439 1.384 1.00 0.00 O ATOM 539 CB ASN A 38 8.595 -16.231 1.883 1.00 0.00 C ATOM 540 CG ASN A 38 8.527 -17.735 2.063 1.00 0.00 C ATOM 541 OD1 ASN A 38 9.181 -18.488 1.340 1.00 0.00 O ATOM 542 ND2 ASN A 38 7.734 -18.180 3.030 1.00 0.00 N ATOM 0 H ASN A 38 10.930 -16.157 2.704 1.00 0.00 H new ATOM 0 HA ASN A 38 9.787 -16.430 0.106 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.689 -15.755 2.859 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.662 -15.878 1.445 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.648 -19.182 3.198 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.211 -17.520 3.605 1.00 0.00 H new ATOM 549 N GLY A 39 9.433 -14.147 -0.747 1.00 0.00 N ATOM 550 CA GLY A 39 9.250 -12.806 -1.272 1.00 0.00 C ATOM 551 C GLY A 39 8.015 -12.128 -0.714 1.00 0.00 C ATOM 552 O GLY A 39 7.396 -12.626 0.228 1.00 0.00 O ATOM 0 H GLY A 39 9.437 -14.886 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.128 -12.204 -1.037 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.176 -12.852 -2.359 1.00 0.00 H new ATOM 556 N LEU A 40 7.655 -10.989 -1.293 1.00 0.00 N ATOM 557 CA LEU A 40 6.485 -10.239 -0.847 1.00 0.00 C ATOM 558 C LEU A 40 5.351 -10.345 -1.861 1.00 0.00 C ATOM 559 O LEU A 40 5.580 -10.634 -3.036 1.00 0.00 O ATOM 560 CB LEU A 40 6.851 -8.771 -0.624 1.00 0.00 C ATOM 561 CG LEU A 40 5.752 -7.888 -0.030 1.00 0.00 C ATOM 562 CD1 LEU A 40 5.267 -8.459 1.294 1.00 0.00 C ATOM 563 CD2 LEU A 40 6.253 -6.463 0.153 1.00 0.00 C ATOM 0 H LEU A 40 8.156 -10.563 -2.073 1.00 0.00 H new ATOM 0 HA LEU A 40 6.145 -10.669 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.718 -8.730 0.035 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.156 -8.344 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 40 4.912 -7.870 -0.724 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.485 -7.818 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.868 -9.461 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.099 -8.508 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.458 -5.849 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.110 -6.462 0.827 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.551 -6.055 -0.813 1.00 0.00 H new ATOM 575 N HIS A 41 4.127 -10.106 -1.399 1.00 0.00 N ATOM 576 CA HIS A 41 2.957 -10.172 -2.267 1.00 0.00 C ATOM 577 C HIS A 41 1.781 -9.419 -1.652 1.00 0.00 C ATOM 578 O HIS A 41 1.107 -9.927 -0.757 1.00 0.00 O ATOM 579 CB HIS A 41 2.567 -11.628 -2.524 1.00 0.00 C ATOM 580 CG HIS A 41 2.134 -11.892 -3.934 1.00 0.00 C ATOM 581 ND1 HIS A 41 2.103 -13.155 -4.487 1.00 0.00 N ATOM 582 CD2 HIS A 41 1.712 -11.047 -4.903 1.00 0.00 C ATOM 583 CE1 HIS A 41 1.681 -13.075 -5.737 1.00 0.00 C ATOM 584 NE2 HIS A 41 1.437 -11.807 -6.014 1.00 0.00 N ATOM 0 H HIS A 41 3.920 -9.865 -0.430 1.00 0.00 H new ATOM 0 HA HIS A 41 3.212 -9.700 -3.216 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.415 -12.270 -2.287 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.759 -11.904 -1.847 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.610 -9.975 -4.819 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.557 -13.905 -6.416 1.00 0.00 H new ATOM 0 HE2 HIS A 41 1.099 -11.450 -6.908 1.00 0.00 H new ATOM 592 N GLY A 42 1.542 -8.205 -2.137 1.00 0.00 N ATOM 593 CA GLY A 42 0.449 -7.402 -1.622 1.00 0.00 C ATOM 594 C GLY A 42 0.893 -6.012 -1.210 1.00 0.00 C ATOM 595 O GLY A 42 2.021 -5.606 -1.491 1.00 0.00 O ATOM 0 H GLY A 42 2.086 -7.763 -2.878 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.328 -7.321 -2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.004 -7.907 -0.764 1.00 0.00 H new ATOM 599 N ASP A 43 0.006 -5.282 -0.545 1.00 0.00 N ATOM 600 CA ASP A 43 0.312 -3.929 -0.094 1.00 0.00 C ATOM 601 C ASP A 43 0.860 -3.942 1.329 1.00 0.00 C ATOM 602 O ASP A 43 0.162 -4.319 2.271 1.00 0.00 O ATOM 603 CB ASP A 43 -0.937 -3.049 -0.166 1.00 0.00 C ATOM 604 CG ASP A 43 -1.698 -3.229 -1.464 1.00 0.00 C ATOM 605 OD1 ASP A 43 -2.392 -4.258 -1.608 1.00 0.00 O ATOM 606 OD2 ASP A 43 -1.601 -2.341 -2.336 1.00 0.00 O ATOM 0 H ASP A 43 -0.932 -5.604 -0.306 1.00 0.00 H new ATOM 0 HA ASP A 43 1.075 -3.516 -0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.593 -3.285 0.672 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.648 -2.003 -0.060 1.00 0.00 H new ATOM 611 N TYR A 44 2.114 -3.528 1.479 1.00 0.00 N ATOM 612 CA TYR A 44 2.756 -3.495 2.787 1.00 0.00 C ATOM 613 C TYR A 44 3.829 -2.411 2.840 1.00 0.00 C ATOM 614 O TYR A 44 4.697 -2.339 1.971 1.00 0.00 O ATOM 615 CB TYR A 44 3.375 -4.857 3.109 1.00 0.00 C ATOM 616 CG TYR A 44 2.381 -5.996 3.081 1.00 0.00 C ATOM 617 CD1 TYR A 44 1.528 -6.226 4.152 1.00 0.00 C ATOM 618 CD2 TYR A 44 2.295 -6.841 1.981 1.00 0.00 C ATOM 619 CE1 TYR A 44 0.619 -7.266 4.130 1.00 0.00 C ATOM 620 CE2 TYR A 44 1.388 -7.882 1.950 1.00 0.00 C ATOM 621 CZ TYR A 44 0.553 -8.091 3.027 1.00 0.00 C ATOM 622 OH TYR A 44 -0.352 -9.128 3.000 1.00 0.00 O ATOM 0 H TYR A 44 2.705 -3.211 0.711 1.00 0.00 H new ATOM 0 HA TYR A 44 1.994 -3.264 3.532 1.00 0.00 H new ATOM 0 HB2 TYR A 44 4.171 -5.063 2.394 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.836 -4.813 4.095 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.576 -5.581 5.017 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.948 -6.681 1.136 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.036 -7.432 4.972 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.333 -8.529 1.087 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.270 -9.612 2.152 1.00 0.00 H new ATOM 632 N ASP A 45 3.761 -1.571 3.867 1.00 0.00 N ATOM 633 CA ASP A 45 4.726 -0.491 4.036 1.00 0.00 C ATOM 634 C ASP A 45 6.143 -1.042 4.151 1.00 0.00 C ATOM 635 O ASP A 45 6.368 -2.243 4.003 1.00 0.00 O ATOM 636 CB ASP A 45 4.385 0.337 5.276 1.00 0.00 C ATOM 637 CG ASP A 45 2.918 0.719 5.332 1.00 0.00 C ATOM 638 OD1 ASP A 45 2.125 -0.058 5.903 1.00 0.00 O ATOM 639 OD2 ASP A 45 2.565 1.794 4.805 1.00 0.00 O ATOM 0 H ASP A 45 3.048 -1.617 4.595 1.00 0.00 H new ATOM 0 HA ASP A 45 4.675 0.150 3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.644 -0.230 6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.994 1.241 5.284 1.00 0.00 H new ATOM 644 N VAL A 46 7.098 -0.155 4.416 1.00 0.00 N ATOM 645 CA VAL A 46 8.494 -0.553 4.552 1.00 0.00 C ATOM 646 C VAL A 46 8.677 -1.537 5.701 1.00 0.00 C ATOM 647 O VAL A 46 9.350 -2.557 5.556 1.00 0.00 O ATOM 648 CB VAL A 46 9.405 0.667 4.786 1.00 0.00 C ATOM 649 CG1 VAL A 46 8.903 1.490 5.962 1.00 0.00 C ATOM 650 CG2 VAL A 46 10.842 0.224 5.009 1.00 0.00 C ATOM 0 H VAL A 46 6.930 0.843 4.541 1.00 0.00 H new ATOM 0 HA VAL A 46 8.777 -1.036 3.617 1.00 0.00 H new ATOM 0 HB VAL A 46 9.377 1.295 3.896 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.559 2.348 6.112 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.891 1.839 5.756 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.899 0.874 6.861 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.471 1.099 5.173 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.891 -0.427 5.882 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.196 -0.318 4.132 1.00 0.00 H new ATOM 660 N GLU A 47 8.072 -1.224 6.843 1.00 0.00 N ATOM 661 CA GLU A 47 8.168 -2.082 8.018 1.00 0.00 C ATOM 662 C GLU A 47 7.320 -3.339 7.845 1.00 0.00 C ATOM 663 O GLU A 47 7.810 -4.458 8.000 1.00 0.00 O ATOM 664 CB GLU A 47 7.724 -1.323 9.269 1.00 0.00 C ATOM 665 CG GLU A 47 8.639 -0.166 9.636 1.00 0.00 C ATOM 666 CD GLU A 47 7.878 1.033 10.167 1.00 0.00 C ATOM 667 OE1 GLU A 47 6.981 0.840 11.014 1.00 0.00 O ATOM 668 OE2 GLU A 47 8.180 2.166 9.736 1.00 0.00 O ATOM 0 H GLU A 47 7.511 -0.383 6.979 1.00 0.00 H new ATOM 0 HA GLU A 47 9.210 -2.380 8.134 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.715 -0.942 9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.677 -2.018 10.108 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.356 -0.498 10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.212 0.132 8.758 1.00 0.00 H new ATOM 675 N SER A 48 6.045 -3.146 7.522 1.00 0.00 N ATOM 676 CA SER A 48 5.127 -4.263 7.332 1.00 0.00 C ATOM 677 C SER A 48 5.661 -5.232 6.282 1.00 0.00 C ATOM 678 O SER A 48 5.745 -6.436 6.518 1.00 0.00 O ATOM 679 CB SER A 48 3.747 -3.751 6.916 1.00 0.00 C ATOM 680 OG SER A 48 2.760 -4.112 7.867 1.00 0.00 O ATOM 0 H SER A 48 5.624 -2.227 7.386 1.00 0.00 H new ATOM 0 HA SER A 48 5.039 -4.794 8.280 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.775 -2.666 6.810 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.483 -4.160 5.941 1.00 0.00 H new ATOM 0 HG SER A 48 1.888 -3.771 7.578 1.00 0.00 H new ATOM 686 N GLY A 49 6.020 -4.696 5.119 1.00 0.00 N ATOM 687 CA GLY A 49 6.541 -5.526 4.049 1.00 0.00 C ATOM 688 C GLY A 49 7.833 -6.221 4.430 1.00 0.00 C ATOM 689 O GLY A 49 8.013 -7.408 4.154 1.00 0.00 O ATOM 0 H GLY A 49 5.959 -3.702 4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.796 -6.274 3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.710 -4.910 3.166 1.00 0.00 H new ATOM 693 N LEU A 50 8.735 -5.482 5.066 1.00 0.00 N ATOM 694 CA LEU A 50 10.019 -6.034 5.485 1.00 0.00 C ATOM 695 C LEU A 50 9.824 -7.316 6.288 1.00 0.00 C ATOM 696 O LEU A 50 10.402 -8.354 5.966 1.00 0.00 O ATOM 697 CB LEU A 50 10.790 -5.009 6.318 1.00 0.00 C ATOM 698 CG LEU A 50 11.776 -5.578 7.338 1.00 0.00 C ATOM 699 CD1 LEU A 50 12.779 -6.496 6.656 1.00 0.00 C ATOM 700 CD2 LEU A 50 12.493 -4.454 8.072 1.00 0.00 C ATOM 0 H LEU A 50 8.601 -4.499 5.303 1.00 0.00 H new ATOM 0 HA LEU A 50 10.594 -6.271 4.590 1.00 0.00 H new ATOM 0 HB2 LEU A 50 11.338 -4.356 5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.070 -4.385 6.848 1.00 0.00 H new ATOM 0 HG LEU A 50 11.216 -6.163 8.068 1.00 0.00 H new ATOM 0 HD11 LEU A 50 13.473 -6.892 7.398 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.251 -7.320 6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.333 -5.935 5.904 1.00 0.00 H new ATOM 0 HD21 LEU A 50 13.191 -4.878 8.794 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.040 -3.842 7.355 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.762 -3.836 8.594 1.00 0.00 H new ATOM 712 N GLN A 51 9.006 -7.235 7.332 1.00 0.00 N ATOM 713 CA GLN A 51 8.734 -8.390 8.180 1.00 0.00 C ATOM 714 C GLN A 51 8.044 -9.496 7.388 1.00 0.00 C ATOM 715 O GLN A 51 8.133 -10.672 7.740 1.00 0.00 O ATOM 716 CB GLN A 51 7.866 -7.982 9.371 1.00 0.00 C ATOM 717 CG GLN A 51 8.450 -6.839 10.186 1.00 0.00 C ATOM 718 CD GLN A 51 9.099 -7.311 11.472 1.00 0.00 C ATOM 719 OE1 GLN A 51 8.546 -7.138 12.559 1.00 0.00 O ATOM 720 NE2 GLN A 51 10.278 -7.910 11.356 1.00 0.00 N ATOM 0 H GLN A 51 8.520 -6.383 7.611 1.00 0.00 H new ATOM 0 HA GLN A 51 9.687 -8.771 8.548 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.880 -7.692 9.009 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.726 -8.846 10.021 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.188 -6.309 9.584 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.660 -6.126 10.423 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.700 -8.032 10.435 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.762 -8.248 12.188 1.00 0.00 H new ATOM 729 N GLN A 52 7.355 -9.110 6.319 1.00 0.00 N ATOM 730 CA GLN A 52 6.649 -10.070 5.479 1.00 0.00 C ATOM 731 C GLN A 52 7.623 -10.839 4.593 1.00 0.00 C ATOM 732 O GLN A 52 7.352 -11.972 4.191 1.00 0.00 O ATOM 733 CB GLN A 52 5.610 -9.354 4.613 1.00 0.00 C ATOM 734 CG GLN A 52 4.185 -9.819 4.863 1.00 0.00 C ATOM 735 CD GLN A 52 4.020 -11.316 4.688 1.00 0.00 C ATOM 736 OE1 GLN A 52 3.808 -12.046 5.656 1.00 0.00 O ATOM 737 NE2 GLN A 52 4.117 -11.782 3.448 1.00 0.00 N ATOM 0 H GLN A 52 7.271 -8.140 6.014 1.00 0.00 H new ATOM 0 HA GLN A 52 6.142 -10.781 6.131 1.00 0.00 H new ATOM 0 HB2 GLN A 52 5.671 -8.282 4.799 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.855 -9.510 3.562 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.888 -9.540 5.874 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.513 -9.301 4.179 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.294 -11.141 2.675 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.015 -12.781 3.269 1.00 0.00 H new ATOM 746 N LEU A 53 8.758 -10.218 4.292 1.00 0.00 N ATOM 747 CA LEU A 53 9.774 -10.844 3.453 1.00 0.00 C ATOM 748 C LEU A 53 10.494 -11.957 4.209 1.00 0.00 C ATOM 749 O LEU A 53 10.536 -13.102 3.757 1.00 0.00 O ATOM 750 CB LEU A 53 10.785 -9.800 2.976 1.00 0.00 C ATOM 751 CG LEU A 53 10.541 -9.217 1.584 1.00 0.00 C ATOM 752 CD1 LEU A 53 10.002 -10.285 0.645 1.00 0.00 C ATOM 753 CD2 LEU A 53 9.581 -8.038 1.660 1.00 0.00 C ATOM 0 H LEU A 53 8.998 -9.281 4.616 1.00 0.00 H new ATOM 0 HA LEU A 53 9.276 -11.280 2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.797 -8.980 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.777 -10.251 2.990 1.00 0.00 H new ATOM 0 HG LEU A 53 11.492 -8.861 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.834 -9.852 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.724 -11.098 0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.061 -10.672 1.036 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.419 -7.636 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.630 -8.370 2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.006 -7.263 2.298 1.00 0.00 H new ATOM 765 N LEU A 54 11.057 -11.614 5.362 1.00 0.00 N ATOM 766 CA LEU A 54 11.774 -12.584 6.182 1.00 0.00 C ATOM 767 C LEU A 54 10.804 -13.407 7.023 1.00 0.00 C ATOM 768 O LEU A 54 11.207 -14.341 7.718 1.00 0.00 O ATOM 769 CB LEU A 54 12.777 -11.871 7.091 1.00 0.00 C ATOM 770 CG LEU A 54 12.292 -11.552 8.505 1.00 0.00 C ATOM 771 CD1 LEU A 54 10.866 -11.024 8.474 1.00 0.00 C ATOM 772 CD2 LEU A 54 12.388 -12.784 9.393 1.00 0.00 C ATOM 0 H LEU A 54 11.031 -10.671 5.750 1.00 0.00 H new ATOM 0 HA LEU A 54 12.313 -13.259 5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.672 -12.489 7.166 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.073 -10.938 6.611 1.00 0.00 H new ATOM 0 HG LEU A 54 12.935 -10.777 8.923 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.538 -10.802 9.490 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.828 -10.115 7.874 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.209 -11.776 8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 54 12.039 -12.538 10.396 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.770 -13.580 8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.425 -13.117 9.442 1.00 0.00 H new ATOM 784 N ASP A 55 9.525 -13.057 6.955 1.00 0.00 N ATOM 785 CA ASP A 55 8.496 -13.765 7.708 1.00 0.00 C ATOM 786 C ASP A 55 8.644 -15.275 7.542 1.00 0.00 C ATOM 787 O ASP A 55 8.512 -15.804 6.439 1.00 0.00 O ATOM 788 CB ASP A 55 7.105 -13.323 7.252 1.00 0.00 C ATOM 789 CG ASP A 55 6.195 -12.984 8.416 1.00 0.00 C ATOM 790 OD1 ASP A 55 6.571 -12.114 9.229 1.00 0.00 O ATOM 791 OD2 ASP A 55 5.106 -13.588 8.513 1.00 0.00 O ATOM 0 H ASP A 55 9.175 -12.286 6.386 1.00 0.00 H new ATOM 0 HA ASP A 55 8.618 -13.520 8.763 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.198 -12.453 6.602 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.651 -14.117 6.659 1.00 0.00 H new ATOM 796 N GLY A 56 8.920 -15.962 8.646 1.00 0.00 N ATOM 797 CA GLY A 56 9.082 -17.404 8.601 1.00 0.00 C ATOM 798 C GLY A 56 9.937 -17.927 9.738 1.00 0.00 C ATOM 799 O GLY A 56 9.878 -19.109 10.075 1.00 0.00 O ATOM 0 H GLY A 56 9.034 -15.546 9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.101 -17.878 8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.535 -17.686 7.650 1.00 0.00 H new ATOM 803 N SER A 57 10.734 -17.044 10.332 1.00 0.00 N ATOM 804 CA SER A 57 11.608 -17.424 11.435 1.00 0.00 C ATOM 805 C SER A 57 11.258 -16.645 12.699 1.00 0.00 C ATOM 806 O SER A 57 11.250 -17.196 13.799 1.00 0.00 O ATOM 807 CB SER A 57 13.072 -17.181 11.061 1.00 0.00 C ATOM 808 OG SER A 57 13.228 -15.941 10.393 1.00 0.00 O ATOM 0 H SER A 57 10.792 -16.061 10.067 1.00 0.00 H new ATOM 0 HA SER A 57 11.462 -18.486 11.632 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.687 -17.193 11.961 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.426 -17.989 10.421 1.00 0.00 H new ATOM 0 HG SER A 57 14.172 -15.808 10.166 1.00 0.00 H new ATOM 814 N GLY A 58 10.970 -15.358 12.533 1.00 0.00 N ATOM 815 CA GLY A 58 10.623 -14.523 13.668 1.00 0.00 C ATOM 816 C GLY A 58 11.836 -13.867 14.297 1.00 0.00 C ATOM 817 O GLY A 58 12.517 -14.471 15.128 1.00 0.00 O ATOM 0 H GLY A 58 10.971 -14.879 11.633 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.922 -13.752 13.347 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.111 -15.127 14.417 1.00 0.00 H new ATOM 821 N LEU A 59 12.110 -12.629 13.901 1.00 0.00 N ATOM 822 CA LEU A 59 13.251 -11.891 14.431 1.00 0.00 C ATOM 823 C LEU A 59 12.855 -10.463 14.793 1.00 0.00 C ATOM 824 O LEU A 59 11.733 -10.034 14.526 1.00 0.00 O ATOM 825 CB LEU A 59 14.391 -11.874 13.411 1.00 0.00 C ATOM 826 CG LEU A 59 15.205 -13.163 13.292 1.00 0.00 C ATOM 827 CD1 LEU A 59 14.743 -13.976 12.093 1.00 0.00 C ATOM 828 CD2 LEU A 59 16.690 -12.848 13.186 1.00 0.00 C ATOM 0 H LEU A 59 11.558 -12.115 13.215 1.00 0.00 H new ATOM 0 HA LEU A 59 13.590 -12.395 15.336 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.972 -11.641 12.432 1.00 0.00 H new ATOM 0 HB3 LEU A 59 15.070 -11.062 13.669 1.00 0.00 H new ATOM 0 HG LEU A 59 15.044 -13.757 14.192 1.00 0.00 H new ATOM 0 HD11 LEU A 59 15.333 -14.890 12.024 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.690 -14.232 12.211 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.874 -13.390 11.184 1.00 0.00 H new ATOM 0 HD21 LEU A 59 17.254 -13.777 13.102 1.00 0.00 H new ATOM 0 HD22 LEU A 59 16.870 -12.234 12.304 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.012 -12.307 14.076 1.00 0.00 H new ATOM 840 N GLN A 60 13.786 -9.732 15.398 1.00 0.00 N ATOM 841 CA GLN A 60 13.534 -8.351 15.795 1.00 0.00 C ATOM 842 C GLN A 60 14.310 -7.381 14.911 1.00 0.00 C ATOM 843 O GLN A 60 15.425 -7.674 14.479 1.00 0.00 O ATOM 844 CB GLN A 60 13.916 -8.141 17.261 1.00 0.00 C ATOM 845 CG GLN A 60 15.414 -8.021 17.488 1.00 0.00 C ATOM 846 CD GLN A 60 15.893 -8.839 18.671 1.00 0.00 C ATOM 847 OE1 GLN A 60 15.827 -8.392 19.816 1.00 0.00 O ATOM 848 NE2 GLN A 60 16.380 -10.044 18.399 1.00 0.00 N ATOM 0 H GLN A 60 14.721 -10.072 15.624 1.00 0.00 H new ATOM 0 HA GLN A 60 12.469 -8.153 15.673 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.428 -7.239 17.629 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.533 -8.974 17.851 1.00 0.00 H new ATOM 0 HG2 GLN A 60 15.941 -8.345 16.590 1.00 0.00 H new ATOM 0 HG3 GLN A 60 15.671 -6.974 17.648 1.00 0.00 H new ATOM 0 HE21 GLN A 60 16.416 -10.374 17.434 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.718 -10.640 19.155 1.00 0.00 H new ATOM 857 N VAL A 61 13.713 -6.223 14.644 1.00 0.00 N ATOM 858 CA VAL A 61 14.348 -5.209 13.812 1.00 0.00 C ATOM 859 C VAL A 61 14.351 -3.851 14.506 1.00 0.00 C ATOM 860 O VAL A 61 13.309 -3.364 14.945 1.00 0.00 O ATOM 861 CB VAL A 61 13.641 -5.076 12.450 1.00 0.00 C ATOM 862 CG1 VAL A 61 14.542 -4.373 11.447 1.00 0.00 C ATOM 863 CG2 VAL A 61 13.219 -6.444 11.934 1.00 0.00 C ATOM 0 H VAL A 61 12.790 -5.965 14.993 1.00 0.00 H new ATOM 0 HA VAL A 61 15.376 -5.533 13.649 1.00 0.00 H new ATOM 0 HB VAL A 61 12.744 -4.470 12.583 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.026 -4.288 10.491 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.789 -3.377 11.815 1.00 0.00 H new ATOM 0 HG13 VAL A 61 15.458 -4.949 11.315 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.721 -6.332 10.971 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.099 -7.076 11.816 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.534 -6.906 12.645 1.00 0.00 H new ATOM 873 N LYS A 62 15.528 -3.244 14.600 1.00 0.00 N ATOM 874 CA LYS A 62 15.668 -1.940 15.239 1.00 0.00 C ATOM 875 C LYS A 62 16.600 -1.038 14.437 1.00 0.00 C ATOM 876 O LYS A 62 17.617 -1.477 13.899 1.00 0.00 O ATOM 877 CB LYS A 62 16.201 -2.103 16.665 1.00 0.00 C ATOM 878 CG LYS A 62 17.320 -3.123 16.784 1.00 0.00 C ATOM 879 CD LYS A 62 16.793 -4.479 17.223 1.00 0.00 C ATOM 880 CE LYS A 62 16.752 -4.596 18.739 1.00 0.00 C ATOM 881 NZ LYS A 62 15.454 -4.124 19.296 1.00 0.00 N ATOM 0 H LYS A 62 16.400 -3.634 14.242 1.00 0.00 H new ATOM 0 HA LYS A 62 14.683 -1.474 15.276 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.561 -1.138 17.022 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.380 -2.399 17.319 1.00 0.00 H new ATOM 0 HG2 LYS A 62 17.827 -3.222 15.824 1.00 0.00 H new ATOM 0 HG3 LYS A 62 18.061 -2.770 17.501 1.00 0.00 H new ATOM 0 HD2 LYS A 62 15.792 -4.630 16.818 1.00 0.00 H new ATOM 0 HD3 LYS A 62 17.425 -5.267 16.813 1.00 0.00 H new ATOM 0 HE2 LYS A 62 16.915 -5.634 19.028 1.00 0.00 H new ATOM 0 HE3 LYS A 62 17.566 -4.013 19.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.306 -4.544 20.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.468 -3.087 19.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.680 -4.410 18.663 1.00 0.00 H new ATOM 895 N PRO A 63 16.248 0.253 14.353 1.00 0.00 N ATOM 896 CA PRO A 63 17.041 1.244 13.620 1.00 0.00 C ATOM 897 C PRO A 63 18.368 1.549 14.307 1.00 0.00 C ATOM 898 O PRO A 63 18.539 1.279 15.497 1.00 0.00 O ATOM 899 CB PRO A 63 16.144 2.485 13.616 1.00 0.00 C ATOM 900 CG PRO A 63 15.272 2.325 14.814 1.00 0.00 C ATOM 901 CD PRO A 63 15.049 0.846 14.969 1.00 0.00 C ATOM 0 HA PRO A 63 17.311 0.893 12.624 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.734 3.400 13.675 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.554 2.544 12.702 1.00 0.00 H new ATOM 0 HG2 PRO A 63 15.747 2.743 15.701 1.00 0.00 H new ATOM 0 HG3 PRO A 63 14.326 2.851 14.681 1.00 0.00 H new ATOM 0 HD2 PRO A 63 14.953 0.562 16.017 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.137 0.522 14.467 1.00 0.00 H new ATOM 909 N LEU A 64 19.304 2.112 13.552 1.00 0.00 N ATOM 910 CA LEU A 64 20.617 2.455 14.089 1.00 0.00 C ATOM 911 C LEU A 64 20.934 3.928 13.855 1.00 0.00 C ATOM 912 O LEU A 64 21.133 4.689 14.800 1.00 0.00 O ATOM 913 CB LEU A 64 21.696 1.580 13.448 1.00 0.00 C ATOM 914 CG LEU A 64 21.281 0.151 13.098 1.00 0.00 C ATOM 915 CD1 LEU A 64 22.372 -0.539 12.294 1.00 0.00 C ATOM 916 CD2 LEU A 64 20.966 -0.638 14.360 1.00 0.00 C ATOM 0 H LEU A 64 19.179 2.341 12.566 1.00 0.00 H new ATOM 0 HA LEU A 64 20.602 2.273 15.164 1.00 0.00 H new ATOM 0 HB2 LEU A 64 22.040 2.071 12.537 1.00 0.00 H new ATOM 0 HB3 LEU A 64 22.548 1.534 14.126 1.00 0.00 H new ATOM 0 HG LEU A 64 20.379 0.194 12.487 1.00 0.00 H new ATOM 0 HD11 LEU A 64 22.059 -1.555 12.054 1.00 0.00 H new ATOM 0 HD12 LEU A 64 22.549 0.014 11.371 1.00 0.00 H new ATOM 0 HD13 LEU A 64 23.291 -0.571 12.880 1.00 0.00 H new ATOM 0 HD21 LEU A 64 20.673 -1.653 14.091 1.00 0.00 H new ATOM 0 HD22 LEU A 64 21.850 -0.673 14.997 1.00 0.00 H new ATOM 0 HD23 LEU A 64 20.150 -0.155 14.897 1.00 0.00 H new ATOM 928 N GLY A 65 20.977 4.324 12.586 1.00 0.00 N ATOM 929 CA GLY A 65 21.268 5.706 12.250 1.00 0.00 C ATOM 930 C GLY A 65 20.315 6.262 11.210 1.00 0.00 C ATOM 931 O GLY A 65 19.123 6.416 11.471 1.00 0.00 O ATOM 0 H GLY A 65 20.816 3.713 11.785 1.00 0.00 H new ATOM 0 HA2 GLY A 65 21.213 6.316 13.152 1.00 0.00 H new ATOM 0 HA3 GLY A 65 22.290 5.779 11.878 1.00 0.00 H new ATOM 935 N ASN A 66 20.843 6.567 10.029 1.00 0.00 N ATOM 936 CA ASN A 66 20.031 7.112 8.947 1.00 0.00 C ATOM 937 C ASN A 66 19.125 6.038 8.352 1.00 0.00 C ATOM 938 O ASN A 66 19.516 5.322 7.432 1.00 0.00 O ATOM 939 CB ASN A 66 20.927 7.701 7.856 1.00 0.00 C ATOM 940 CG ASN A 66 20.394 9.014 7.316 1.00 0.00 C ATOM 941 OD1 ASN A 66 20.937 10.081 7.601 1.00 0.00 O ATOM 942 ND2 ASN A 66 19.325 8.940 6.531 1.00 0.00 N ATOM 0 H ASN A 66 21.829 6.446 9.797 1.00 0.00 H new ATOM 0 HA ASN A 66 19.404 7.903 9.360 1.00 0.00 H new ATOM 0 HB2 ASN A 66 21.929 7.856 8.257 1.00 0.00 H new ATOM 0 HB3 ASN A 66 21.018 6.985 7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 66 18.921 9.790 6.138 1.00 0.00 H new ATOM 0 HD22 ASN A 66 18.908 8.033 6.322 1.00 0.00 H new ATOM 949 N ASN A 67 17.912 5.934 8.885 1.00 0.00 N ATOM 950 CA ASN A 67 16.949 4.948 8.407 1.00 0.00 C ATOM 951 C ASN A 67 17.616 3.591 8.204 1.00 0.00 C ATOM 952 O ASN A 67 17.228 2.822 7.324 1.00 0.00 O ATOM 953 CB ASN A 67 16.314 5.418 7.096 1.00 0.00 C ATOM 954 CG ASN A 67 14.800 5.342 7.128 1.00 0.00 C ATOM 955 OD1 ASN A 67 14.114 6.360 7.035 1.00 0.00 O ATOM 956 ND2 ASN A 67 14.271 4.131 7.260 1.00 0.00 N ATOM 0 H ASN A 67 17.572 6.520 9.648 1.00 0.00 H new ATOM 0 HA ASN A 67 16.170 4.841 9.162 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.619 6.445 6.895 1.00 0.00 H new ATOM 0 HB3 ASN A 67 16.689 4.807 6.274 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.258 4.017 7.288 1.00 0.00 H new ATOM 0 HD22 ASN A 67 14.878 3.315 7.334 1.00 0.00 H new ATOM 963 N SER A 68 18.622 3.303 9.024 1.00 0.00 N ATOM 964 CA SER A 68 19.345 2.040 8.933 1.00 0.00 C ATOM 965 C SER A 68 18.813 1.035 9.950 1.00 0.00 C ATOM 966 O SER A 68 18.973 1.214 11.158 1.00 0.00 O ATOM 967 CB SER A 68 20.841 2.268 9.158 1.00 0.00 C ATOM 968 OG SER A 68 21.115 3.632 9.427 1.00 0.00 O ATOM 0 H SER A 68 18.955 3.927 9.759 1.00 0.00 H new ATOM 0 HA SER A 68 19.193 1.633 7.933 1.00 0.00 H new ATOM 0 HB2 SER A 68 21.184 1.654 9.991 1.00 0.00 H new ATOM 0 HB3 SER A 68 21.397 1.949 8.276 1.00 0.00 H new ATOM 0 HG SER A 68 22.077 3.751 9.569 1.00 0.00 H new ATOM 974 N TRP A 69 18.182 -0.022 9.453 1.00 0.00 N ATOM 975 CA TRP A 69 17.626 -1.057 10.317 1.00 0.00 C ATOM 976 C TRP A 69 18.486 -2.315 10.283 1.00 0.00 C ATOM 977 O TRP A 69 19.156 -2.595 9.288 1.00 0.00 O ATOM 978 CB TRP A 69 16.195 -1.391 9.892 1.00 0.00 C ATOM 979 CG TRP A 69 15.271 -0.212 9.938 1.00 0.00 C ATOM 980 CD1 TRP A 69 15.417 0.970 9.269 1.00 0.00 C ATOM 981 CD2 TRP A 69 14.060 -0.101 10.694 1.00 0.00 C ATOM 982 NE1 TRP A 69 14.369 1.809 9.564 1.00 0.00 N ATOM 983 CE2 TRP A 69 13.523 1.175 10.435 1.00 0.00 C ATOM 984 CE3 TRP A 69 13.376 -0.956 11.562 1.00 0.00 C ATOM 985 CZ2 TRP A 69 12.336 1.615 11.015 1.00 0.00 C ATOM 986 CZ3 TRP A 69 12.198 -0.518 12.137 1.00 0.00 C ATOM 987 CH2 TRP A 69 11.687 0.757 11.861 1.00 0.00 C ATOM 0 H TRP A 69 18.042 -0.185 8.456 1.00 0.00 H new ATOM 0 HA TRP A 69 17.615 -0.675 11.338 1.00 0.00 H new ATOM 0 HB2 TRP A 69 16.209 -1.793 8.879 1.00 0.00 H new ATOM 0 HB3 TRP A 69 15.805 -2.175 10.541 1.00 0.00 H new ATOM 0 HD1 TRP A 69 16.235 1.210 8.606 1.00 0.00 H new ATOM 0 HE1 TRP A 69 14.242 2.751 9.194 1.00 0.00 H new ATOM 0 HE3 TRP A 69 13.761 -1.941 11.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 11.942 2.598 10.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 11.662 -1.170 12.811 1.00 0.00 H new ATOM 0 HH2 TRP A 69 10.763 1.069 12.325 1.00 0.00 H new ATOM 998 N THR A 70 18.465 -3.072 11.376 1.00 0.00 N ATOM 999 CA THR A 70 19.244 -4.300 11.471 1.00 0.00 C ATOM 1000 C THR A 70 18.409 -5.437 12.050 1.00 0.00 C ATOM 1001 O THR A 70 17.501 -5.209 12.850 1.00 0.00 O ATOM 1002 CB THR A 70 20.498 -4.103 12.343 1.00 0.00 C ATOM 1003 OG1 THR A 70 21.348 -5.251 12.245 1.00 0.00 O ATOM 1004 CG2 THR A 70 20.115 -3.872 13.797 1.00 0.00 C ATOM 0 H THR A 70 17.916 -2.856 12.208 1.00 0.00 H new ATOM 0 HA THR A 70 19.552 -4.559 10.458 1.00 0.00 H new ATOM 0 HB THR A 70 21.032 -3.224 11.980 1.00 0.00 H new ATOM 0 HG1 THR A 70 21.401 -5.540 11.310 1.00 0.00 H new ATOM 0 HG21 THR A 70 21.017 -3.736 14.394 1.00 0.00 H new ATOM 0 HG22 THR A 70 19.492 -2.981 13.872 1.00 0.00 H new ATOM 0 HG23 THR A 70 19.561 -4.734 14.169 1.00 0.00 H new ATOM 1012 N LEU A 71 18.723 -6.661 11.641 1.00 0.00 N ATOM 1013 CA LEU A 71 18.002 -7.836 12.121 1.00 0.00 C ATOM 1014 C LEU A 71 18.807 -8.571 13.187 1.00 0.00 C ATOM 1015 O LEU A 71 20.035 -8.627 13.122 1.00 0.00 O ATOM 1016 CB LEU A 71 17.694 -8.780 10.957 1.00 0.00 C ATOM 1017 CG LEU A 71 16.266 -8.731 10.413 1.00 0.00 C ATOM 1018 CD1 LEU A 71 15.271 -9.143 11.487 1.00 0.00 C ATOM 1019 CD2 LEU A 71 15.942 -7.339 9.889 1.00 0.00 C ATOM 0 H LEU A 71 19.471 -6.866 10.979 1.00 0.00 H new ATOM 0 HA LEU A 71 17.066 -7.500 12.567 1.00 0.00 H new ATOM 0 HB2 LEU A 71 18.380 -8.554 10.141 1.00 0.00 H new ATOM 0 HB3 LEU A 71 17.905 -9.800 11.277 1.00 0.00 H new ATOM 0 HG LEU A 71 16.189 -9.436 9.585 1.00 0.00 H new ATOM 0 HD11 LEU A 71 14.260 -9.102 11.081 1.00 0.00 H new ATOM 0 HD12 LEU A 71 15.490 -10.159 11.815 1.00 0.00 H new ATOM 0 HD13 LEU A 71 15.349 -8.463 12.336 1.00 0.00 H new ATOM 0 HD21 LEU A 71 14.922 -7.323 9.506 1.00 0.00 H new ATOM 0 HD22 LEU A 71 16.037 -6.614 10.698 1.00 0.00 H new ATOM 0 HD23 LEU A 71 16.635 -7.082 9.088 1.00 0.00 H new ATOM 1031 N GLU A 72 18.107 -9.134 14.167 1.00 0.00 N ATOM 1032 CA GLU A 72 18.758 -9.867 15.246 1.00 0.00 C ATOM 1033 C GLU A 72 17.910 -11.058 15.683 1.00 0.00 C ATOM 1034 O GLU A 72 16.695 -11.095 15.483 1.00 0.00 O ATOM 1035 CB GLU A 72 19.012 -8.943 16.439 1.00 0.00 C ATOM 1036 CG GLU A 72 20.411 -8.352 16.463 1.00 0.00 C ATOM 1037 CD GLU A 72 20.445 -6.913 15.983 1.00 0.00 C ATOM 1038 OE1 GLU A 72 20.251 -6.006 16.819 1.00 0.00 O ATOM 1039 OE2 GLU A 72 20.664 -6.696 14.774 1.00 0.00 O ATOM 0 H GLU A 72 17.090 -9.096 14.236 1.00 0.00 H new ATOM 0 HA GLU A 72 19.713 -10.239 14.874 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.284 -8.132 16.421 1.00 0.00 H new ATOM 0 HB3 GLU A 72 18.846 -9.500 17.361 1.00 0.00 H new ATOM 0 HG2 GLU A 72 20.805 -8.402 17.478 1.00 0.00 H new ATOM 0 HG3 GLU A 72 21.067 -8.956 15.836 1.00 0.00 H new ATOM 1046 N PRO A 73 18.564 -12.057 16.295 1.00 0.00 N ATOM 1047 CA PRO A 73 17.891 -13.268 16.773 1.00 0.00 C ATOM 1048 C PRO A 73 16.988 -12.995 17.971 1.00 0.00 C ATOM 1049 O PRO A 73 17.441 -12.494 19.000 1.00 0.00 O ATOM 1050 CB PRO A 73 19.050 -14.184 17.174 1.00 0.00 C ATOM 1051 CG PRO A 73 20.173 -13.256 17.490 1.00 0.00 C ATOM 1052 CD PRO A 73 20.011 -12.081 16.566 1.00 0.00 C ATOM 0 HA PRO A 73 17.235 -13.696 16.015 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.789 -14.798 18.036 1.00 0.00 H new ATOM 0 HB3 PRO A 73 19.315 -14.865 16.365 1.00 0.00 H new ATOM 0 HG2 PRO A 73 20.137 -12.940 18.533 1.00 0.00 H new ATOM 0 HG3 PRO A 73 21.136 -13.743 17.337 1.00 0.00 H new ATOM 0 HD2 PRO A 73 20.348 -11.155 17.031 1.00 0.00 H new ATOM 0 HD3 PRO A 73 20.589 -12.207 15.651 1.00 0.00 H new ATOM 1060 N ALA A 74 15.709 -13.329 17.831 1.00 0.00 N ATOM 1061 CA ALA A 74 14.744 -13.121 18.903 1.00 0.00 C ATOM 1062 C ALA A 74 14.441 -14.427 19.630 1.00 0.00 C ATOM 1063 O ALA A 74 14.675 -15.521 19.115 1.00 0.00 O ATOM 1064 CB ALA A 74 13.463 -12.514 18.350 1.00 0.00 C ATOM 0 H ALA A 74 15.318 -13.745 16.986 1.00 0.00 H new ATOM 0 HA ALA A 74 15.181 -12.428 19.622 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.751 -12.364 19.162 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.687 -11.555 17.882 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.032 -13.187 17.609 1.00 0.00 H new ATOM 1070 N PRO A 75 13.909 -14.314 20.856 1.00 0.00 N ATOM 1071 CA PRO A 75 13.564 -15.476 21.680 1.00 0.00 C ATOM 1072 C PRO A 75 12.369 -16.244 21.126 1.00 0.00 C ATOM 1073 O PRO A 75 11.435 -15.652 20.586 1.00 0.00 O ATOM 1074 CB PRO A 75 13.220 -14.859 23.038 1.00 0.00 C ATOM 1075 CG PRO A 75 12.790 -13.467 22.723 1.00 0.00 C ATOM 1076 CD PRO A 75 13.604 -13.042 21.532 1.00 0.00 C ATOM 0 HA PRO A 75 14.376 -16.203 21.720 1.00 0.00 H new ATOM 0 HB2 PRO A 75 12.426 -15.416 23.536 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.081 -14.866 23.706 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.724 -13.429 22.501 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.963 -12.804 23.571 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.046 -12.366 20.884 1.00 0.00 H new ATOM 0 HD3 PRO A 75 14.512 -12.518 21.832 1.00 0.00 H new ATOM 1084 N ALA A 76 12.405 -17.566 21.264 1.00 0.00 N ATOM 1085 CA ALA A 76 11.324 -18.414 20.779 1.00 0.00 C ATOM 1086 C ALA A 76 11.541 -19.867 21.188 1.00 0.00 C ATOM 1087 O ALA A 76 12.652 -20.286 21.513 1.00 0.00 O ATOM 1088 CB ALA A 76 11.202 -18.302 19.266 1.00 0.00 C ATOM 0 H ALA A 76 13.171 -18.072 21.708 1.00 0.00 H new ATOM 0 HA ALA A 76 10.395 -18.070 21.233 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.390 -18.941 18.918 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.992 -17.268 18.993 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.136 -18.617 18.801 1.00 0.00 H new ATOM 1094 N PRO A 77 10.455 -20.655 21.173 1.00 0.00 N ATOM 1095 CA PRO A 77 10.502 -22.074 21.540 1.00 0.00 C ATOM 1096 C PRO A 77 11.248 -22.915 20.510 1.00 0.00 C ATOM 1097 O PRO A 77 11.532 -22.454 19.404 1.00 0.00 O ATOM 1098 CB PRO A 77 9.026 -22.476 21.591 1.00 0.00 C ATOM 1099 CG PRO A 77 8.340 -21.516 20.681 1.00 0.00 C ATOM 1100 CD PRO A 77 9.099 -20.223 20.795 1.00 0.00 C ATOM 0 HA PRO A 77 11.035 -22.235 22.477 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.884 -23.505 21.260 1.00 0.00 H new ATOM 0 HB3 PRO A 77 8.633 -22.410 22.605 1.00 0.00 H new ATOM 0 HG2 PRO A 77 8.343 -21.881 19.654 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.297 -21.383 20.969 1.00 0.00 H new ATOM 0 HD2 PRO A 77 9.100 -19.674 19.854 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.662 -19.566 21.547 1.00 0.00 H new ATOM 1108 N LYS A 78 11.563 -24.152 20.879 1.00 0.00 N ATOM 1109 CA LYS A 78 12.275 -25.059 19.986 1.00 0.00 C ATOM 1110 C LYS A 78 11.462 -25.331 18.725 1.00 0.00 C ATOM 1111 O LYS A 78 11.759 -24.795 17.657 1.00 0.00 O ATOM 1112 CB LYS A 78 12.579 -26.377 20.703 1.00 0.00 C ATOM 1113 CG LYS A 78 13.608 -26.243 21.812 1.00 0.00 C ATOM 1114 CD LYS A 78 15.026 -26.317 21.270 1.00 0.00 C ATOM 1115 CE LYS A 78 15.406 -27.742 20.898 1.00 0.00 C ATOM 1116 NZ LYS A 78 15.593 -28.598 22.102 1.00 0.00 N ATOM 0 H LYS A 78 11.336 -24.550 21.791 1.00 0.00 H new ATOM 0 HA LYS A 78 13.212 -24.583 19.697 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.655 -26.774 21.123 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.936 -27.104 19.973 1.00 0.00 H new ATOM 0 HG2 LYS A 78 13.465 -25.295 22.330 1.00 0.00 H new ATOM 0 HG3 LYS A 78 13.457 -27.034 22.547 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.116 -25.675 20.394 1.00 0.00 H new ATOM 0 HD3 LYS A 78 15.723 -25.937 22.017 1.00 0.00 H new ATOM 0 HE2 LYS A 78 14.630 -28.171 20.264 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.326 -27.732 20.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.074 -29.479 21.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.170 -28.090 22.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 14.666 -28.823 22.515 1.00 0.00 H new ATOM 1130 N GLU A 79 10.434 -26.164 18.856 1.00 0.00 N ATOM 1131 CA GLU A 79 9.579 -26.504 17.725 1.00 0.00 C ATOM 1132 C GLU A 79 8.267 -27.121 18.202 1.00 0.00 C ATOM 1133 O GLU A 79 8.258 -27.995 19.069 1.00 0.00 O ATOM 1134 CB GLU A 79 10.299 -27.474 16.786 1.00 0.00 C ATOM 1135 CG GLU A 79 9.766 -27.452 15.363 1.00 0.00 C ATOM 1136 CD GLU A 79 10.350 -26.320 14.539 1.00 0.00 C ATOM 1137 OE1 GLU A 79 11.152 -25.538 15.090 1.00 0.00 O ATOM 1138 OE2 GLU A 79 10.005 -26.217 13.343 1.00 0.00 O ATOM 0 H GLU A 79 10.174 -26.615 19.733 1.00 0.00 H new ATOM 0 HA GLU A 79 9.354 -25.585 17.183 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.361 -27.231 16.771 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.209 -28.485 17.183 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.992 -28.402 14.880 1.00 0.00 H new ATOM 0 HG3 GLU A 79 8.680 -27.357 15.387 1.00 0.00 H new ATOM 1145 N ASP A 80 7.160 -26.659 17.630 1.00 0.00 N ATOM 1146 CA ASP A 80 5.842 -27.165 17.995 1.00 0.00 C ATOM 1147 C ASP A 80 5.797 -28.687 17.895 1.00 0.00 C ATOM 1148 O ASP A 80 5.456 -29.372 18.858 1.00 0.00 O ATOM 1149 CB ASP A 80 4.769 -26.550 17.095 1.00 0.00 C ATOM 1150 CG ASP A 80 4.669 -25.046 17.257 1.00 0.00 C ATOM 1151 OD1 ASP A 80 4.487 -24.585 18.403 1.00 0.00 O ATOM 1152 OD2 ASP A 80 4.772 -24.331 16.239 1.00 0.00 O ATOM 0 H ASP A 80 7.149 -25.935 16.912 1.00 0.00 H new ATOM 0 HA ASP A 80 5.644 -26.881 19.029 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.993 -26.786 16.055 1.00 0.00 H new ATOM 0 HB3 ASP A 80 3.804 -27.002 17.324 1.00 0.00 H new ATOM 1157 N ALA A 81 6.143 -29.208 16.722 1.00 0.00 N ATOM 1158 CA ALA A 81 6.142 -30.648 16.496 1.00 0.00 C ATOM 1159 C ALA A 81 7.231 -31.332 17.316 1.00 0.00 C ATOM 1160 O ALA A 81 7.927 -30.689 18.103 1.00 0.00 O ATOM 1161 CB ALA A 81 6.325 -30.950 15.016 1.00 0.00 C ATOM 0 H ALA A 81 6.427 -28.654 15.914 1.00 0.00 H new ATOM 0 HA ALA A 81 5.178 -31.042 16.819 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.322 -32.029 14.862 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.510 -30.500 14.449 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.274 -30.537 14.675 1.00 0.00 H new ATOM 1167 N LEU A 82 7.373 -32.639 17.128 1.00 0.00 N ATOM 1168 CA LEU A 82 8.378 -33.412 17.851 1.00 0.00 C ATOM 1169 C LEU A 82 9.409 -33.996 16.892 1.00 0.00 C ATOM 1170 O LEU A 82 9.617 -35.210 16.849 1.00 0.00 O ATOM 1171 CB LEU A 82 7.710 -34.535 18.647 1.00 0.00 C ATOM 1172 CG LEU A 82 6.871 -34.099 19.849 1.00 0.00 C ATOM 1173 CD1 LEU A 82 5.784 -35.122 20.140 1.00 0.00 C ATOM 1174 CD2 LEU A 82 7.756 -33.895 21.070 1.00 0.00 C ATOM 0 H LEU A 82 6.805 -33.186 16.481 1.00 0.00 H new ATOM 0 HA LEU A 82 8.890 -32.741 18.541 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.071 -35.102 17.970 1.00 0.00 H new ATOM 0 HB3 LEU A 82 8.486 -35.215 18.998 1.00 0.00 H new ATOM 0 HG LEU A 82 6.392 -33.150 19.610 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.197 -34.795 20.998 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.133 -35.219 19.271 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.242 -36.087 20.360 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.143 -33.585 21.916 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.263 -34.829 21.312 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.497 -33.125 20.858 1.00 0.00 H new ATOM 1186 N THR A 83 10.057 -33.125 16.124 1.00 0.00 N ATOM 1187 CA THR A 83 11.068 -33.554 15.166 1.00 0.00 C ATOM 1188 C THR A 83 12.340 -32.726 15.301 1.00 0.00 C ATOM 1189 O THR A 83 12.342 -31.672 15.937 1.00 0.00 O ATOM 1190 CB THR A 83 10.551 -33.449 13.719 1.00 0.00 C ATOM 1191 OG1 THR A 83 11.542 -33.939 12.808 1.00 0.00 O ATOM 1192 CG2 THR A 83 10.204 -32.009 13.372 1.00 0.00 C ATOM 0 H THR A 83 9.899 -32.118 16.147 1.00 0.00 H new ATOM 0 HA THR A 83 11.292 -34.597 15.389 1.00 0.00 H new ATOM 0 HB THR A 83 9.649 -34.054 13.634 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.205 -33.871 11.890 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.841 -31.959 12.345 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.429 -31.648 14.049 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.093 -31.386 13.473 1.00 0.00 H new ATOM 1200 N VAL A 84 13.422 -33.208 14.698 1.00 0.00 N ATOM 1201 CA VAL A 84 14.701 -32.510 14.749 1.00 0.00 C ATOM 1202 C VAL A 84 15.038 -31.880 13.403 1.00 0.00 C ATOM 1203 O VAL A 84 15.764 -32.462 12.597 1.00 0.00 O ATOM 1204 CB VAL A 84 15.842 -33.460 15.159 1.00 0.00 C ATOM 1205 CG1 VAL A 84 17.142 -32.689 15.333 1.00 0.00 C ATOM 1206 CG2 VAL A 84 15.481 -34.207 16.434 1.00 0.00 C ATOM 0 H VAL A 84 13.438 -34.079 14.168 1.00 0.00 H new ATOM 0 HA VAL A 84 14.604 -31.725 15.499 1.00 0.00 H new ATOM 0 HB VAL A 84 15.985 -34.192 14.364 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.937 -33.376 15.623 1.00 0.00 H new ATOM 0 HG12 VAL A 84 17.406 -32.204 14.393 1.00 0.00 H new ATOM 0 HG13 VAL A 84 17.016 -31.933 16.108 1.00 0.00 H new ATOM 0 HG21 VAL A 84 16.298 -34.874 16.709 1.00 0.00 H new ATOM 0 HG22 VAL A 84 15.310 -33.492 17.239 1.00 0.00 H new ATOM 0 HG23 VAL A 84 14.576 -34.792 16.269 1.00 0.00 H new ATOM 1216 N VAL A 85 14.506 -30.685 13.165 1.00 0.00 N ATOM 1217 CA VAL A 85 14.751 -29.974 11.916 1.00 0.00 C ATOM 1218 C VAL A 85 15.699 -28.799 12.130 1.00 0.00 C ATOM 1219 O VAL A 85 16.357 -28.341 11.197 1.00 0.00 O ATOM 1220 CB VAL A 85 13.439 -29.456 11.298 1.00 0.00 C ATOM 1221 CG1 VAL A 85 12.602 -30.613 10.775 1.00 0.00 C ATOM 1222 CG2 VAL A 85 12.658 -28.639 12.316 1.00 0.00 C ATOM 0 H VAL A 85 13.903 -30.189 13.821 1.00 0.00 H new ATOM 0 HA VAL A 85 15.209 -30.687 11.230 1.00 0.00 H new ATOM 0 HB VAL A 85 13.684 -28.808 10.457 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.679 -30.228 10.342 1.00 0.00 H new ATOM 0 HG12 VAL A 85 13.163 -31.152 10.012 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.363 -31.289 11.596 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.734 -28.281 11.863 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.421 -29.262 13.178 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.258 -27.788 12.637 1.00 0.00 H new ATOM 1232 N GLY A 86 15.763 -28.315 13.366 1.00 0.00 N ATOM 1233 CA GLY A 86 16.633 -27.197 13.681 1.00 0.00 C ATOM 1234 C GLY A 86 17.214 -27.290 15.078 1.00 0.00 C ATOM 1235 O GLY A 86 17.019 -28.287 15.774 1.00 0.00 O ATOM 0 H GLY A 86 15.228 -28.677 14.155 1.00 0.00 H new ATOM 0 HA2 GLY A 86 17.445 -27.157 12.955 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.073 -26.267 13.585 1.00 0.00 H new ATOM 1239 N ASP A 87 17.932 -26.250 15.489 1.00 0.00 N ATOM 1240 CA ASP A 87 18.545 -26.219 16.812 1.00 0.00 C ATOM 1241 C ASP A 87 18.897 -24.790 17.214 1.00 0.00 C ATOM 1242 O ASP A 87 19.239 -23.964 16.368 1.00 0.00 O ATOM 1243 CB ASP A 87 19.799 -27.093 16.837 1.00 0.00 C ATOM 1244 CG ASP A 87 20.503 -27.057 18.179 1.00 0.00 C ATOM 1245 OD1 ASP A 87 21.252 -26.091 18.430 1.00 0.00 O ATOM 1246 OD2 ASP A 87 20.305 -27.997 18.978 1.00 0.00 O ATOM 0 H ASP A 87 18.104 -25.418 14.925 1.00 0.00 H new ATOM 0 HA ASP A 87 17.824 -26.612 17.529 1.00 0.00 H new ATOM 0 HB2 ASP A 87 19.526 -28.121 16.601 1.00 0.00 H new ATOM 0 HB3 ASP A 87 20.487 -26.759 16.060 1.00 0.00 H new ATOM 1251 N TRP A 88 18.809 -24.507 18.508 1.00 0.00 N ATOM 1252 CA TRP A 88 19.117 -23.177 19.022 1.00 0.00 C ATOM 1253 C TRP A 88 20.033 -23.262 20.239 1.00 0.00 C ATOM 1254 O TRP A 88 19.723 -23.948 21.214 1.00 0.00 O ATOM 1255 CB TRP A 88 17.829 -22.438 19.389 1.00 0.00 C ATOM 1256 CG TRP A 88 18.040 -20.982 19.672 1.00 0.00 C ATOM 1257 CD1 TRP A 88 17.659 -20.301 20.793 1.00 0.00 C ATOM 1258 CD2 TRP A 88 18.680 -20.027 18.818 1.00 0.00 C ATOM 1259 NE1 TRP A 88 18.023 -18.980 20.687 1.00 0.00 N ATOM 1260 CE2 TRP A 88 18.652 -18.787 19.486 1.00 0.00 C ATOM 1261 CE3 TRP A 88 19.276 -20.099 17.557 1.00 0.00 C ATOM 1262 CZ2 TRP A 88 19.196 -17.631 18.932 1.00 0.00 C ATOM 1263 CZ3 TRP A 88 19.816 -18.951 17.008 1.00 0.00 C ATOM 1264 CH2 TRP A 88 19.774 -17.731 17.695 1.00 0.00 C ATOM 0 H TRP A 88 18.527 -25.180 19.221 1.00 0.00 H new ATOM 0 HA TRP A 88 19.635 -22.623 18.239 1.00 0.00 H new ATOM 0 HB2 TRP A 88 17.114 -22.542 18.573 1.00 0.00 H new ATOM 0 HB3 TRP A 88 17.385 -22.910 20.265 1.00 0.00 H new ATOM 0 HD1 TRP A 88 17.147 -20.737 21.638 1.00 0.00 H new ATOM 0 HE1 TRP A 88 17.852 -18.260 21.389 1.00 0.00 H new ATOM 0 HE3 TRP A 88 19.314 -21.035 17.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 19.163 -16.689 19.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 20.278 -18.995 16.033 1.00 0.00 H new ATOM 0 HH2 TRP A 88 20.206 -16.852 17.240 1.00 0.00 H new ATOM 1275 N LEU A 89 21.160 -22.563 20.175 1.00 0.00 N ATOM 1276 CA LEU A 89 22.122 -22.560 21.273 1.00 0.00 C ATOM 1277 C LEU A 89 22.016 -21.273 22.085 1.00 0.00 C ATOM 1278 O LEU A 89 22.644 -20.267 21.757 1.00 0.00 O ATOM 1279 CB LEU A 89 23.543 -22.720 20.732 1.00 0.00 C ATOM 1280 CG LEU A 89 24.538 -23.422 21.657 1.00 0.00 C ATOM 1281 CD1 LEU A 89 24.681 -22.658 22.965 1.00 0.00 C ATOM 1282 CD2 LEU A 89 24.102 -24.856 21.919 1.00 0.00 C ATOM 0 H LEU A 89 21.431 -21.991 19.375 1.00 0.00 H new ATOM 0 HA LEU A 89 21.893 -23.401 21.928 1.00 0.00 H new ATOM 0 HB2 LEU A 89 23.493 -23.276 19.796 1.00 0.00 H new ATOM 0 HB3 LEU A 89 23.934 -21.730 20.495 1.00 0.00 H new ATOM 0 HG LEU A 89 25.510 -23.444 21.165 1.00 0.00 H new ATOM 0 HD11 LEU A 89 25.393 -23.172 23.611 1.00 0.00 H new ATOM 0 HD12 LEU A 89 25.040 -21.649 22.760 1.00 0.00 H new ATOM 0 HD13 LEU A 89 23.713 -22.604 23.463 1.00 0.00 H new ATOM 0 HD21 LEU A 89 24.822 -25.340 22.579 1.00 0.00 H new ATOM 0 HD22 LEU A 89 23.119 -24.857 22.390 1.00 0.00 H new ATOM 0 HD23 LEU A 89 24.052 -25.399 20.975 1.00 0.00 H new ATOM 1294 N GLY A 90 21.218 -21.314 23.148 1.00 0.00 N ATOM 1295 CA GLY A 90 21.046 -20.145 23.991 1.00 0.00 C ATOM 1296 C GLY A 90 22.155 -20.001 25.015 1.00 0.00 C ATOM 1297 O GLY A 90 23.237 -19.505 24.702 1.00 0.00 O ATOM 0 H GLY A 90 20.688 -22.135 23.440 1.00 0.00 H new ATOM 0 HA2 GLY A 90 21.014 -19.252 23.367 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.087 -20.209 24.505 1.00 0.00 H new ATOM 1301 N ASP A 91 21.886 -20.435 26.241 1.00 0.00 N ATOM 1302 CA ASP A 91 22.869 -20.351 27.315 1.00 0.00 C ATOM 1303 C ASP A 91 23.266 -18.902 27.577 1.00 0.00 C ATOM 1304 O ASP A 91 24.411 -18.615 27.925 1.00 0.00 O ATOM 1305 CB ASP A 91 24.108 -21.177 26.966 1.00 0.00 C ATOM 1306 CG ASP A 91 25.045 -21.343 28.147 1.00 0.00 C ATOM 1307 OD1 ASP A 91 24.563 -21.293 29.298 1.00 0.00 O ATOM 1308 OD2 ASP A 91 26.259 -21.523 27.920 1.00 0.00 O ATOM 0 H ASP A 91 20.995 -20.849 26.516 1.00 0.00 H new ATOM 0 HA ASP A 91 22.416 -20.754 28.221 1.00 0.00 H new ATOM 0 HB2 ASP A 91 23.798 -22.160 26.611 1.00 0.00 H new ATOM 0 HB3 ASP A 91 24.643 -20.696 26.147 1.00 0.00 H new ATOM 1313 N ALA A 92 22.312 -17.992 27.406 1.00 0.00 N ATOM 1314 CA ALA A 92 22.562 -16.573 27.624 1.00 0.00 C ATOM 1315 C ALA A 92 21.975 -16.110 28.953 1.00 0.00 C ATOM 1316 O ALA A 92 21.195 -15.159 29.001 1.00 0.00 O ATOM 1317 CB ALA A 92 21.988 -15.753 26.478 1.00 0.00 C ATOM 0 H ALA A 92 21.359 -18.213 27.117 1.00 0.00 H new ATOM 0 HA ALA A 92 23.641 -16.421 27.660 1.00 0.00 H new ATOM 0 HB1 ALA A 92 22.182 -14.695 26.655 1.00 0.00 H new ATOM 0 HB2 ALA A 92 22.457 -16.057 25.542 1.00 0.00 H new ATOM 0 HB3 ALA A 92 20.913 -15.919 26.415 1.00 0.00 H new ATOM 1323 N ARG A 93 22.354 -16.790 30.031 1.00 0.00 N ATOM 1324 CA ARG A 93 21.863 -16.450 31.360 1.00 0.00 C ATOM 1325 C ARG A 93 23.017 -16.326 32.351 1.00 0.00 C ATOM 1326 O ARG A 93 24.095 -16.877 32.134 1.00 0.00 O ATOM 1327 CB ARG A 93 20.870 -17.507 31.847 1.00 0.00 C ATOM 1328 CG ARG A 93 21.482 -18.889 32.007 1.00 0.00 C ATOM 1329 CD ARG A 93 20.548 -19.829 32.753 1.00 0.00 C ATOM 1330 NE ARG A 93 21.268 -20.939 33.371 1.00 0.00 N ATOM 1331 CZ ARG A 93 20.670 -21.930 34.024 1.00 0.00 C ATOM 1332 NH1 ARG A 93 19.350 -21.948 34.144 1.00 0.00 N ATOM 1333 NH2 ARG A 93 21.394 -22.905 34.559 1.00 0.00 N ATOM 0 H ARG A 93 23.000 -17.579 30.009 1.00 0.00 H new ATOM 0 HA ARG A 93 21.356 -15.487 31.297 1.00 0.00 H new ATOM 0 HB2 ARG A 93 20.455 -17.190 32.804 1.00 0.00 H new ATOM 0 HB3 ARG A 93 20.040 -17.566 31.143 1.00 0.00 H new ATOM 0 HG2 ARG A 93 21.709 -19.304 31.025 1.00 0.00 H new ATOM 0 HG3 ARG A 93 22.426 -18.810 32.545 1.00 0.00 H new ATOM 0 HD2 ARG A 93 20.011 -19.272 33.521 1.00 0.00 H new ATOM 0 HD3 ARG A 93 19.801 -20.221 32.063 1.00 0.00 H new ATOM 0 HE ARG A 93 22.285 -20.955 33.297 1.00 0.00 H new ATOM 0 HH11 ARG A 93 18.790 -21.200 33.735 1.00 0.00 H new ATOM 0 HH12 ARG A 93 18.894 -22.710 34.646 1.00 0.00 H new ATOM 0 HH21 ARG A 93 22.410 -22.894 34.469 1.00 0.00 H new ATOM 0 HH22 ARG A 93 20.935 -23.665 35.060 1.00 0.00 H new ATOM 1347 N GLU A 94 22.781 -15.598 33.438 1.00 0.00 N ATOM 1348 CA GLU A 94 23.802 -15.401 34.461 1.00 0.00 C ATOM 1349 C GLU A 94 24.167 -16.725 35.127 1.00 0.00 C ATOM 1350 O GLU A 94 23.355 -17.322 35.831 1.00 0.00 O ATOM 1351 CB GLU A 94 23.314 -14.405 35.515 1.00 0.00 C ATOM 1352 CG GLU A 94 23.331 -12.961 35.041 1.00 0.00 C ATOM 1353 CD GLU A 94 22.363 -12.710 33.901 1.00 0.00 C ATOM 1354 OE1 GLU A 94 21.143 -12.871 34.113 1.00 0.00 O ATOM 1355 OE2 GLU A 94 22.825 -12.354 32.797 1.00 0.00 O ATOM 0 H GLU A 94 21.893 -15.135 33.633 1.00 0.00 H new ATOM 0 HA GLU A 94 24.692 -15.000 33.977 1.00 0.00 H new ATOM 0 HB2 GLU A 94 22.299 -14.670 35.811 1.00 0.00 H new ATOM 0 HB3 GLU A 94 23.938 -14.494 36.404 1.00 0.00 H new ATOM 0 HG2 GLU A 94 23.082 -12.306 35.875 1.00 0.00 H new ATOM 0 HG3 GLU A 94 24.340 -12.699 34.721 1.00 0.00 H new ATOM 1362 N ASN A 95 25.396 -17.177 34.897 1.00 0.00 N ATOM 1363 CA ASN A 95 25.869 -18.430 35.473 1.00 0.00 C ATOM 1364 C ASN A 95 26.709 -18.172 36.721 1.00 0.00 C ATOM 1365 O ASN A 95 26.797 -19.020 37.609 1.00 0.00 O ATOM 1366 CB ASN A 95 26.690 -19.210 34.445 1.00 0.00 C ATOM 1367 CG ASN A 95 26.765 -20.690 34.767 1.00 0.00 C ATOM 1368 OD1 ASN A 95 27.748 -21.164 35.336 1.00 0.00 O ATOM 1369 ND2 ASN A 95 25.722 -21.428 34.403 1.00 0.00 N ATOM 0 H ASN A 95 26.082 -16.694 34.316 1.00 0.00 H new ATOM 0 HA ASN A 95 24.999 -19.022 35.758 1.00 0.00 H new ATOM 0 HB2 ASN A 95 26.250 -19.078 33.457 1.00 0.00 H new ATOM 0 HB3 ASN A 95 27.699 -18.799 34.402 1.00 0.00 H new ATOM 0 HD21 ASN A 95 25.715 -22.430 34.593 1.00 0.00 H new ATOM 0 HD22 ASN A 95 24.928 -20.993 33.933 1.00 0.00 H new ATOM 1376 N ASP A 96 27.324 -16.996 36.780 1.00 0.00 N ATOM 1377 CA ASP A 96 28.156 -16.625 37.919 1.00 0.00 C ATOM 1378 C ASP A 96 27.398 -15.701 38.867 1.00 0.00 C ATOM 1379 O ASP A 96 26.796 -14.714 38.441 1.00 0.00 O ATOM 1380 CB ASP A 96 29.439 -15.944 37.441 1.00 0.00 C ATOM 1381 CG ASP A 96 30.195 -16.780 36.427 1.00 0.00 C ATOM 1382 OD1 ASP A 96 30.410 -17.982 36.691 1.00 0.00 O ATOM 1383 OD2 ASP A 96 30.570 -16.233 35.369 1.00 0.00 O ATOM 0 H ASP A 96 27.262 -16.283 36.053 1.00 0.00 H new ATOM 0 HA ASP A 96 28.417 -17.535 38.459 1.00 0.00 H new ATOM 0 HB2 ASP A 96 29.192 -14.979 37.000 1.00 0.00 H new ATOM 0 HB3 ASP A 96 30.083 -15.747 38.298 1.00 0.00 H new ATOM 1388 N LEU A 97 27.430 -16.027 40.155 1.00 0.00 N ATOM 1389 CA LEU A 97 26.745 -15.227 41.164 1.00 0.00 C ATOM 1390 C LEU A 97 27.420 -15.372 42.524 1.00 0.00 C ATOM 1391 O LEU A 97 27.851 -16.462 42.900 1.00 0.00 O ATOM 1392 CB LEU A 97 25.277 -15.643 41.263 1.00 0.00 C ATOM 1393 CG LEU A 97 25.010 -17.027 41.857 1.00 0.00 C ATOM 1394 CD1 LEU A 97 23.574 -17.131 42.346 1.00 0.00 C ATOM 1395 CD2 LEU A 97 25.307 -18.113 40.833 1.00 0.00 C ATOM 0 H LEU A 97 27.923 -16.840 40.525 1.00 0.00 H new ATOM 0 HA LEU A 97 26.800 -14.181 40.862 1.00 0.00 H new ATOM 0 HB2 LEU A 97 24.750 -14.903 41.866 1.00 0.00 H new ATOM 0 HB3 LEU A 97 24.842 -15.608 40.264 1.00 0.00 H new ATOM 0 HG LEU A 97 25.673 -17.169 42.710 1.00 0.00 H new ATOM 0 HD11 LEU A 97 23.403 -18.123 42.765 1.00 0.00 H new ATOM 0 HD12 LEU A 97 23.395 -16.377 43.113 1.00 0.00 H new ATOM 0 HD13 LEU A 97 22.893 -16.968 41.511 1.00 0.00 H new ATOM 0 HD21 LEU A 97 25.112 -19.091 41.273 1.00 0.00 H new ATOM 0 HD22 LEU A 97 24.670 -17.974 39.960 1.00 0.00 H new ATOM 0 HD23 LEU A 97 26.353 -18.053 40.532 1.00 0.00 H new ATOM 1407 N GLU A 98 27.505 -14.267 43.258 1.00 0.00 N ATOM 1408 CA GLU A 98 28.127 -14.273 44.577 1.00 0.00 C ATOM 1409 C GLU A 98 27.070 -14.351 45.676 1.00 0.00 C ATOM 1410 O GLU A 98 26.010 -13.731 45.579 1.00 0.00 O ATOM 1411 CB GLU A 98 28.984 -13.019 44.768 1.00 0.00 C ATOM 1412 CG GLU A 98 30.351 -13.112 44.112 1.00 0.00 C ATOM 1413 CD GLU A 98 30.272 -13.138 42.598 1.00 0.00 C ATOM 1414 OE1 GLU A 98 29.681 -12.202 42.019 1.00 0.00 O ATOM 1415 OE2 GLU A 98 30.800 -14.093 41.992 1.00 0.00 O ATOM 0 H GLU A 98 27.151 -13.357 42.962 1.00 0.00 H new ATOM 0 HA GLU A 98 28.765 -15.154 44.645 1.00 0.00 H new ATOM 0 HB2 GLU A 98 28.452 -12.160 44.360 1.00 0.00 H new ATOM 0 HB3 GLU A 98 29.114 -12.836 45.835 1.00 0.00 H new ATOM 0 HG2 GLU A 98 30.959 -12.263 44.426 1.00 0.00 H new ATOM 0 HG3 GLU A 98 30.857 -14.012 44.461 1.00 0.00 H new ATOM 1422 N HIS A 99 27.366 -15.118 46.720 1.00 0.00 N ATOM 1423 CA HIS A 99 26.443 -15.279 47.837 1.00 0.00 C ATOM 1424 C HIS A 99 26.197 -13.944 48.535 1.00 0.00 C ATOM 1425 O HIS A 99 27.045 -13.458 49.284 1.00 0.00 O ATOM 1426 CB HIS A 99 26.991 -16.297 48.837 1.00 0.00 C ATOM 1427 CG HIS A 99 26.568 -17.705 48.551 1.00 0.00 C ATOM 1428 ND1 HIS A 99 27.389 -18.794 48.758 1.00 0.00 N ATOM 1429 CD2 HIS A 99 25.403 -18.200 48.072 1.00 0.00 C ATOM 1430 CE1 HIS A 99 26.747 -19.897 48.417 1.00 0.00 C ATOM 1431 NE2 HIS A 99 25.539 -19.564 47.998 1.00 0.00 N ATOM 0 H HIS A 99 28.238 -15.638 46.816 1.00 0.00 H new ATOM 0 HA HIS A 99 25.494 -15.643 47.443 1.00 0.00 H new ATOM 0 HB2 HIS A 99 28.080 -16.246 48.835 1.00 0.00 H new ATOM 0 HB3 HIS A 99 26.661 -16.024 49.839 1.00 0.00 H new ATOM 0 HD2 HIS A 99 24.529 -17.628 47.799 1.00 0.00 H new ATOM 0 HE1 HIS A 99 27.142 -20.901 48.471 1.00 0.00 H new ATOM 0 HE2 HIS A 99 24.824 -20.214 47.673 1.00 0.00 H new ATOM 1439 N HIS A 100 25.032 -13.356 48.284 1.00 0.00 N ATOM 1440 CA HIS A 100 24.675 -12.077 48.888 1.00 0.00 C ATOM 1441 C HIS A 100 23.171 -11.836 48.799 1.00 0.00 C ATOM 1442 O HIS A 100 22.451 -12.580 48.134 1.00 0.00 O ATOM 1443 CB HIS A 100 25.428 -10.937 48.201 1.00 0.00 C ATOM 1444 CG HIS A 100 25.704 -9.774 49.103 1.00 0.00 C ATOM 1445 ND1 HIS A 100 26.669 -9.797 50.088 1.00 0.00 N ATOM 1446 CD2 HIS A 100 25.137 -8.546 49.163 1.00 0.00 C ATOM 1447 CE1 HIS A 100 26.682 -8.635 50.716 1.00 0.00 C ATOM 1448 NE2 HIS A 100 25.762 -7.858 50.174 1.00 0.00 N ATOM 0 H HIS A 100 24.319 -13.744 47.667 1.00 0.00 H new ATOM 0 HA HIS A 100 24.959 -12.107 49.940 1.00 0.00 H new ATOM 0 HB2 HIS A 100 26.373 -11.318 47.813 1.00 0.00 H new ATOM 0 HB3 HIS A 100 24.848 -10.593 47.345 1.00 0.00 H new ATOM 0 HD2 HIS A 100 24.341 -8.176 48.533 1.00 0.00 H new ATOM 0 HE1 HIS A 100 27.334 -8.366 51.534 1.00 0.00 H new ATOM 0 HE2 HIS A 100 25.550 -6.902 50.460 1.00 0.00 H new ATOM 1456 N HIS A 101 22.704 -10.791 49.476 1.00 0.00 N ATOM 1457 CA HIS A 101 21.285 -10.451 49.474 1.00 0.00 C ATOM 1458 C HIS A 101 21.027 -9.203 48.635 1.00 0.00 C ATOM 1459 O HIS A 101 21.768 -8.224 48.717 1.00 0.00 O ATOM 1460 CB HIS A 101 20.790 -10.231 50.903 1.00 0.00 C ATOM 1461 CG HIS A 101 20.786 -11.477 51.734 1.00 0.00 C ATOM 1462 ND1 HIS A 101 19.649 -11.979 52.333 1.00 0.00 N ATOM 1463 CD2 HIS A 101 21.788 -12.326 52.063 1.00 0.00 C ATOM 1464 CE1 HIS A 101 19.953 -13.080 52.996 1.00 0.00 C ATOM 1465 NE2 HIS A 101 21.245 -13.313 52.848 1.00 0.00 N ATOM 0 H HIS A 101 23.287 -10.166 50.032 1.00 0.00 H new ATOM 0 HA HIS A 101 20.737 -11.284 49.032 1.00 0.00 H new ATOM 0 HB2 HIS A 101 21.420 -9.484 51.386 1.00 0.00 H new ATOM 0 HB3 HIS A 101 19.780 -9.823 50.870 1.00 0.00 H new ATOM 0 HD2 HIS A 101 22.822 -12.242 51.764 1.00 0.00 H new ATOM 0 HE1 HIS A 101 19.263 -13.687 53.563 1.00 0.00 H new ATOM 0 HE2 HIS A 101 21.756 -14.098 53.251 1.00 0.00 H new ATOM 1473 N HIS A 102 19.971 -9.246 47.829 1.00 0.00 N ATOM 1474 CA HIS A 102 19.614 -8.119 46.975 1.00 0.00 C ATOM 1475 C HIS A 102 18.461 -7.322 47.579 1.00 0.00 C ATOM 1476 O HIS A 102 18.495 -6.092 47.616 1.00 0.00 O ATOM 1477 CB HIS A 102 19.233 -8.610 45.578 1.00 0.00 C ATOM 1478 CG HIS A 102 19.172 -7.518 44.555 1.00 0.00 C ATOM 1479 ND1 HIS A 102 18.003 -7.133 43.934 1.00 0.00 N ATOM 1480 CD2 HIS A 102 20.145 -6.726 44.047 1.00 0.00 C ATOM 1481 CE1 HIS A 102 18.259 -6.152 43.086 1.00 0.00 C ATOM 1482 NE2 HIS A 102 19.552 -5.886 43.136 1.00 0.00 N ATOM 0 H HIS A 102 19.348 -10.049 47.749 1.00 0.00 H new ATOM 0 HA HIS A 102 20.483 -7.465 46.898 1.00 0.00 H new ATOM 0 HB2 HIS A 102 19.956 -9.359 45.255 1.00 0.00 H new ATOM 0 HB3 HIS A 102 18.263 -9.105 45.628 1.00 0.00 H new ATOM 0 HD2 HIS A 102 21.192 -6.750 44.309 1.00 0.00 H new ATOM 0 HE1 HIS A 102 17.535 -5.653 42.459 1.00 0.00 H new ATOM 0 HE2 HIS A 102 20.032 -5.173 42.587 1.00 0.00 H new ATOM 1490 N HIS A 103 17.442 -8.032 48.051 1.00 0.00 N ATOM 1491 CA HIS A 103 16.278 -7.392 48.653 1.00 0.00 C ATOM 1492 C HIS A 103 16.216 -7.675 50.151 1.00 0.00 C ATOM 1493 O HIS A 103 16.869 -8.594 50.647 1.00 0.00 O ATOM 1494 CB HIS A 103 14.995 -7.877 47.978 1.00 0.00 C ATOM 1495 CG HIS A 103 14.742 -9.343 48.156 1.00 0.00 C ATOM 1496 ND1 HIS A 103 14.309 -9.892 49.344 1.00 0.00 N ATOM 1497 CD2 HIS A 103 14.862 -10.374 47.288 1.00 0.00 C ATOM 1498 CE1 HIS A 103 14.175 -11.199 49.199 1.00 0.00 C ATOM 1499 NE2 HIS A 103 14.504 -11.516 47.960 1.00 0.00 N ATOM 0 H HIS A 103 17.398 -9.051 48.028 1.00 0.00 H new ATOM 0 HA HIS A 103 16.371 -6.316 48.507 1.00 0.00 H new ATOM 0 HB2 HIS A 103 14.149 -7.319 48.380 1.00 0.00 H new ATOM 0 HB3 HIS A 103 15.047 -7.652 46.913 1.00 0.00 H new ATOM 0 HD2 HIS A 103 15.180 -10.310 46.258 1.00 0.00 H new ATOM 0 HE1 HIS A 103 13.852 -11.890 49.964 1.00 0.00 H new ATOM 0 HE2 HIS A 103 14.494 -12.457 47.566 1.00 0.00 H new ATOM 1507 N HIS A 104 15.428 -6.879 50.867 1.00 0.00 N ATOM 1508 CA HIS A 104 15.281 -7.044 52.309 1.00 0.00 C ATOM 1509 C HIS A 104 14.785 -8.447 52.648 1.00 0.00 C ATOM 1510 O HIS A 104 15.507 -9.243 53.249 1.00 0.00 O ATOM 1511 CB HIS A 104 14.315 -6.000 52.868 1.00 0.00 C ATOM 1512 CG HIS A 104 12.921 -6.127 52.334 1.00 0.00 C ATOM 1513 ND1 HIS A 104 11.841 -6.461 53.124 1.00 0.00 N ATOM 1514 CD2 HIS A 104 12.434 -5.963 51.082 1.00 0.00 C ATOM 1515 CE1 HIS A 104 10.749 -6.498 52.380 1.00 0.00 C ATOM 1516 NE2 HIS A 104 11.082 -6.199 51.137 1.00 0.00 N ATOM 0 H HIS A 104 14.882 -6.113 50.472 1.00 0.00 H new ATOM 0 HA HIS A 104 16.260 -6.903 52.767 1.00 0.00 H new ATOM 0 HB2 HIS A 104 14.288 -6.086 53.954 1.00 0.00 H new ATOM 0 HB3 HIS A 104 14.695 -5.005 52.637 1.00 0.00 H new ATOM 0 HD2 HIS A 104 13.003 -5.696 50.203 1.00 0.00 H new ATOM 0 HE1 HIS A 104 9.754 -6.733 52.729 1.00 0.00 H new ATOM 0 HE2 HIS A 104 10.439 -6.151 50.346 1.00 0.00 H new TER 1524 HIS A 104