USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 938 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 87 HIS : no HD1:sc= -2.04! K(o=-1.9!,f=-3.1) USER MOD Set 1.2: A 89 GLN : amide:sc= 0.144 X(o=-1.9,f=-1.5) USER MOD Set 2.1: A 42 MET CE :methyl -159:sc= -0.278 (180deg=-0.877) USER MOD Set 2.2: A 78 TYR OH : rot 0:sc= -0.387 USER MOD Set 3.1: A 36 SER OG : rot -89:sc= 1.04 USER MOD Set 3.2: A 44 THR OG1 : rot -166:sc= 0.745 USER MOD Set 4.1: A 33 GLN : amide:sc= 0 K(o=-0.39,f=-1.7) USER MOD Set 4.2: A 45 MET CE :methyl -156:sc= -0.394 (180deg=-1.22) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc=-0.00287 (180deg=-0.195) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 HIS : no HD1:sc= 0.287 K(o=0.29,f=-2.8!) USER MOD Single : A 10 GLN : amide:sc= 1.94 K(o=1.9,f=-5.5!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 21 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 23 HIS : no HD1:sc= -0.991 K(o=-0.99,f=0.29) USER MOD Single : A 26 ASN : amide:sc= -0.0518 X(o=-0.052,f=0) USER MOD Single : A 30 GLN : amide:sc= -1.01 K(o=-1,f=-0.011) USER MOD Single : A 32 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.0025) USER MOD Single : A 35 ASN : amide:sc= -0.635 K(o=-0.64,f=-1.3) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 1.82 K(o=1.8,f=-9!) USER MOD Single : A 52 GLN : amide:sc= -0.442! C(o=-0.44!,f=-12!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= -2.02! K(o=-2!,f=0.35) USER MOD Single : A 65 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.37) USER MOD Single : A 79 TYR OH : rot 17:sc= 0.437 USER MOD Single : A 81 MET CE :methyl -144:sc= -0.263 (180deg=-1.29!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.00481 USER MOD Single : A 99 LYS NZ :NH3+ -170:sc= -0.505 (180deg=-0.817) USER MOD Single : A 109 SER OG : rot 44:sc= 0.246 USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 115 HIS : no HD1:sc= -0.116 X(o=-0.12,f=0.019) USER MOD Single : A 116 HIS : no HD1:sc=-0.00474 X(o=-0.0047,f=-0.014) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.922 3.635 8.142 1.00 0.00 N ATOM 2 CA MET A 1 -17.951 3.973 7.084 1.00 0.00 C ATOM 3 C MET A 1 -17.480 2.706 6.389 1.00 0.00 C ATOM 4 O MET A 1 -17.185 1.704 7.042 1.00 0.00 O ATOM 5 CB MET A 1 -16.763 4.737 7.672 1.00 0.00 C ATOM 6 CG MET A 1 -17.148 6.092 8.240 1.00 0.00 C ATOM 7 SD MET A 1 -15.747 6.987 8.932 1.00 0.00 S ATOM 8 CE MET A 1 -16.561 8.481 9.491 1.00 0.00 C ATOM 0 H1 MET A 1 -19.414 4.498 8.450 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.615 2.954 7.772 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.422 3.215 8.951 1.00 0.00 H new ATOM 0 HA MET A 1 -18.439 4.615 6.350 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.306 4.137 8.459 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.009 4.875 6.898 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.604 6.693 7.454 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.903 5.954 9.014 1.00 0.00 H new ATOM 0 HE1 MET A 1 -15.828 9.146 9.947 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.026 8.981 8.642 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.325 8.226 10.225 1.00 0.00 H new ATOM 20 N THR A 2 -17.429 2.755 5.066 1.00 0.00 N ATOM 21 CA THR A 2 -17.078 1.601 4.257 1.00 0.00 C ATOM 22 C THR A 2 -15.636 1.148 4.511 1.00 0.00 C ATOM 23 O THR A 2 -14.698 1.947 4.457 1.00 0.00 O ATOM 24 CB THR A 2 -17.279 1.932 2.765 1.00 0.00 C ATOM 25 OG1 THR A 2 -18.630 2.363 2.551 1.00 0.00 O ATOM 26 CG2 THR A 2 -16.987 0.735 1.877 1.00 0.00 C ATOM 0 H THR A 2 -17.630 3.596 4.525 1.00 0.00 H new ATOM 0 HA THR A 2 -17.734 0.778 4.540 1.00 0.00 H new ATOM 0 HB THR A 2 -16.580 2.725 2.501 1.00 0.00 H new ATOM 0 HG1 THR A 2 -18.759 2.576 1.603 1.00 0.00 H new ATOM 0 HG21 THR A 2 -17.140 1.010 0.833 1.00 0.00 H new ATOM 0 HG22 THR A 2 -15.954 0.419 2.021 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.657 -0.084 2.139 1.00 0.00 H new ATOM 34 N THR A 3 -15.472 -0.139 4.796 1.00 0.00 N ATOM 35 CA THR A 3 -14.158 -0.712 5.056 1.00 0.00 C ATOM 36 C THR A 3 -13.260 -0.605 3.824 1.00 0.00 C ATOM 37 O THR A 3 -12.099 -0.211 3.922 1.00 0.00 O ATOM 38 CB THR A 3 -14.275 -2.188 5.483 1.00 0.00 C ATOM 39 OG1 THR A 3 -15.189 -2.293 6.582 1.00 0.00 O ATOM 40 CG2 THR A 3 -12.922 -2.757 5.887 1.00 0.00 C ATOM 0 H THR A 3 -16.239 -0.809 4.853 1.00 0.00 H new ATOM 0 HA THR A 3 -13.709 -0.143 5.870 1.00 0.00 H new ATOM 0 HB THR A 3 -14.643 -2.763 4.633 1.00 0.00 H new ATOM 0 HG1 THR A 3 -15.267 -3.231 6.854 1.00 0.00 H new ATOM 0 HG21 THR A 3 -13.039 -3.800 6.183 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.234 -2.694 5.044 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.522 -2.185 6.724 1.00 0.00 H new ATOM 48 N HIS A 4 -13.814 -0.930 2.657 1.00 0.00 N ATOM 49 CA HIS A 4 -13.068 -0.828 1.403 1.00 0.00 C ATOM 50 C HIS A 4 -12.690 0.622 1.107 1.00 0.00 C ATOM 51 O HIS A 4 -11.767 0.889 0.341 1.00 0.00 O ATOM 52 CB HIS A 4 -13.880 -1.398 0.234 1.00 0.00 C ATOM 53 CG HIS A 4 -13.996 -2.893 0.242 1.00 0.00 C ATOM 54 ND1 HIS A 4 -15.198 -3.557 0.335 1.00 0.00 N ATOM 55 CD2 HIS A 4 -13.049 -3.855 0.144 1.00 0.00 C ATOM 56 CE1 HIS A 4 -14.985 -4.858 0.296 1.00 0.00 C ATOM 57 NE2 HIS A 4 -13.689 -5.069 0.177 1.00 0.00 N ATOM 0 H HIS A 4 -14.772 -1.265 2.553 1.00 0.00 H new ATOM 0 HA HIS A 4 -12.155 -1.413 1.517 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -14.881 -0.966 0.256 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -13.418 -1.085 -0.702 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -11.984 -3.696 0.056 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -15.745 -5.623 0.352 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -13.237 -5.982 0.119 1.00 0.00 H new ATOM 66 N ASP A 5 -13.398 1.552 1.733 1.00 0.00 N ATOM 67 CA ASP A 5 -13.155 2.972 1.522 1.00 0.00 C ATOM 68 C ASP A 5 -11.999 3.457 2.392 1.00 0.00 C ATOM 69 O ASP A 5 -11.168 4.249 1.952 1.00 0.00 O ATOM 70 CB ASP A 5 -14.417 3.776 1.827 1.00 0.00 C ATOM 71 CG ASP A 5 -14.238 5.254 1.568 1.00 0.00 C ATOM 72 OD1 ASP A 5 -14.027 5.629 0.399 1.00 0.00 O ATOM 73 OD2 ASP A 5 -14.328 6.044 2.526 1.00 0.00 O ATOM 0 H ASP A 5 -14.148 1.347 2.393 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.886 3.122 0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -15.239 3.401 1.218 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -14.698 3.624 2.869 1.00 0.00 H new ATOM 78 N ARG A 6 -11.937 2.961 3.623 1.00 0.00 N ATOM 79 CA ARG A 6 -10.868 3.336 4.542 1.00 0.00 C ATOM 80 C ARG A 6 -9.512 2.831 4.058 1.00 0.00 C ATOM 81 O ARG A 6 -8.493 3.492 4.248 1.00 0.00 O ATOM 82 CB ARG A 6 -11.156 2.816 5.950 1.00 0.00 C ATOM 83 CG ARG A 6 -12.224 3.615 6.680 1.00 0.00 C ATOM 84 CD ARG A 6 -12.449 3.087 8.086 1.00 0.00 C ATOM 85 NE ARG A 6 -13.263 3.996 8.890 1.00 0.00 N ATOM 86 CZ ARG A 6 -14.024 3.610 9.911 1.00 0.00 C ATOM 87 NH1 ARG A 6 -14.122 2.327 10.227 1.00 0.00 N ATOM 88 NH2 ARG A 6 -14.700 4.511 10.612 1.00 0.00 N ATOM 0 H ARG A 6 -12.612 2.300 4.007 1.00 0.00 H new ATOM 0 HA ARG A 6 -10.830 4.425 4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -11.471 1.774 5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.235 2.836 6.533 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -11.928 4.663 6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -13.158 3.572 6.120 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -12.937 2.114 8.034 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -11.486 2.935 8.574 1.00 0.00 H new ATOM 0 HE ARG A 6 -13.247 4.988 8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -13.612 1.628 9.686 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -14.707 2.038 11.011 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -14.636 5.499 10.368 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -15.283 4.215 11.395 1.00 0.00 H new ATOM 102 N VAL A 7 -9.499 1.662 3.427 1.00 0.00 N ATOM 103 CA VAL A 7 -8.267 1.128 2.855 1.00 0.00 C ATOM 104 C VAL A 7 -7.824 1.987 1.668 1.00 0.00 C ATOM 105 O VAL A 7 -6.634 2.135 1.396 1.00 0.00 O ATOM 106 CB VAL A 7 -8.431 -0.346 2.417 1.00 0.00 C ATOM 107 CG1 VAL A 7 -7.131 -0.898 1.848 1.00 0.00 C ATOM 108 CG2 VAL A 7 -8.899 -1.201 3.587 1.00 0.00 C ATOM 0 H VAL A 7 -10.320 1.070 3.299 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.500 1.158 3.629 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.187 -0.380 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.277 -1.936 1.549 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.834 -0.308 0.981 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.350 -0.845 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -9.009 -2.235 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.165 -1.150 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -9.858 -0.830 3.948 1.00 0.00 H new ATOM 118 N ARG A 8 -8.799 2.575 0.979 1.00 0.00 N ATOM 119 CA ARG A 8 -8.516 3.519 -0.096 1.00 0.00 C ATOM 120 C ARG A 8 -7.781 4.732 0.460 1.00 0.00 C ATOM 121 O ARG A 8 -6.813 5.214 -0.132 1.00 0.00 O ATOM 122 CB ARG A 8 -9.812 3.965 -0.781 1.00 0.00 C ATOM 123 CG ARG A 8 -9.603 5.046 -1.830 1.00 0.00 C ATOM 124 CD ARG A 8 -10.917 5.523 -2.427 1.00 0.00 C ATOM 125 NE ARG A 8 -11.787 6.155 -1.433 1.00 0.00 N ATOM 126 CZ ARG A 8 -12.220 7.415 -1.512 1.00 0.00 C ATOM 127 NH1 ARG A 8 -11.811 8.205 -2.497 1.00 0.00 N ATOM 128 NH2 ARG A 8 -13.058 7.879 -0.598 1.00 0.00 N ATOM 0 H ARG A 8 -9.792 2.413 1.147 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.887 3.023 -0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.282 3.101 -1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.505 4.333 -0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.081 5.891 -1.381 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.963 4.662 -2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -10.712 6.232 -3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.437 4.677 -2.875 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.080 5.598 -0.631 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.162 7.850 -3.199 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.146 9.167 -2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.370 7.274 0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.392 8.841 -0.654 1.00 0.00 H new ATOM 142 N LEU A 9 -8.247 5.211 1.606 1.00 0.00 N ATOM 143 CA LEU A 9 -7.630 6.349 2.278 1.00 0.00 C ATOM 144 C LEU A 9 -6.197 6.012 2.680 1.00 0.00 C ATOM 145 O LEU A 9 -5.302 6.849 2.588 1.00 0.00 O ATOM 146 CB LEU A 9 -8.447 6.738 3.514 1.00 0.00 C ATOM 147 CG LEU A 9 -9.933 7.006 3.253 1.00 0.00 C ATOM 148 CD1 LEU A 9 -10.653 7.335 4.550 1.00 0.00 C ATOM 149 CD2 LEU A 9 -10.112 8.131 2.247 1.00 0.00 C ATOM 0 H LEU A 9 -9.056 4.826 2.093 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.610 7.193 1.589 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.362 5.941 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.005 7.631 3.956 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.371 6.100 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.707 7.522 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.562 6.496 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.208 8.223 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.175 8.302 2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.655 9.041 2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.635 7.857 1.306 1.00 0.00 H new ATOM 161 N GLN A 10 -5.990 4.771 3.110 1.00 0.00 N ATOM 162 CA GLN A 10 -4.660 4.276 3.458 1.00 0.00 C ATOM 163 C GLN A 10 -3.722 4.352 2.252 1.00 0.00 C ATOM 164 O GLN A 10 -2.563 4.754 2.377 1.00 0.00 O ATOM 165 CB GLN A 10 -4.766 2.835 3.961 1.00 0.00 C ATOM 166 CG GLN A 10 -3.431 2.121 4.126 1.00 0.00 C ATOM 167 CD GLN A 10 -2.534 2.749 5.174 1.00 0.00 C ATOM 168 OE1 GLN A 10 -2.611 2.409 6.351 1.00 0.00 O ATOM 169 NE2 GLN A 10 -1.671 3.658 4.746 1.00 0.00 N ATOM 0 H GLN A 10 -6.734 4.083 3.227 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.245 4.902 4.248 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.283 2.836 4.920 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.384 2.266 3.266 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.615 1.081 4.393 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.910 2.117 3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -1.643 3.909 3.758 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.035 4.107 5.405 1.00 0.00 H new ATOM 178 N LEU A 11 -4.231 3.971 1.089 1.00 0.00 N ATOM 179 CA LEU A 11 -3.462 4.049 -0.149 1.00 0.00 C ATOM 180 C LEU A 11 -3.045 5.488 -0.428 1.00 0.00 C ATOM 181 O LEU A 11 -1.932 5.750 -0.881 1.00 0.00 O ATOM 182 CB LEU A 11 -4.281 3.502 -1.322 1.00 0.00 C ATOM 183 CG LEU A 11 -4.679 2.030 -1.205 1.00 0.00 C ATOM 184 CD1 LEU A 11 -5.595 1.639 -2.352 1.00 0.00 C ATOM 185 CD2 LEU A 11 -3.445 1.141 -1.179 1.00 0.00 C ATOM 0 H LEU A 11 -5.176 3.604 0.975 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.565 3.441 -0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.187 4.100 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.707 3.635 -2.239 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.218 1.891 -0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.870 0.589 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.495 2.254 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.078 1.793 -3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.750 0.098 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.877 1.280 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.823 1.407 -0.324 1.00 0.00 H new ATOM 197 N GLN A 12 -3.940 6.417 -0.124 1.00 0.00 N ATOM 198 CA GLN A 12 -3.676 7.833 -0.328 1.00 0.00 C ATOM 199 C GLN A 12 -2.737 8.375 0.748 1.00 0.00 C ATOM 200 O GLN A 12 -2.027 9.355 0.525 1.00 0.00 O ATOM 201 CB GLN A 12 -4.984 8.619 -0.333 1.00 0.00 C ATOM 202 CG GLN A 12 -5.952 8.175 -1.418 1.00 0.00 C ATOM 203 CD GLN A 12 -7.258 8.940 -1.388 1.00 0.00 C ATOM 204 OE1 GLN A 12 -8.207 8.545 -0.714 1.00 0.00 O ATOM 205 NE2 GLN A 12 -7.320 10.034 -2.130 1.00 0.00 N ATOM 0 H GLN A 12 -4.860 6.213 0.267 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.189 7.952 -1.296 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.466 8.514 0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.762 9.678 -0.466 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.482 8.305 -2.393 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -6.157 7.111 -1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.509 10.327 -2.675 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -8.179 10.584 -2.157 1.00 0.00 H new ATOM 214 N ALA A 13 -2.737 7.739 1.915 1.00 0.00 N ATOM 215 CA ALA A 13 -1.811 8.102 2.983 1.00 0.00 C ATOM 216 C ALA A 13 -0.387 7.741 2.586 1.00 0.00 C ATOM 217 O ALA A 13 0.552 8.503 2.823 1.00 0.00 O ATOM 218 CB ALA A 13 -2.191 7.412 4.286 1.00 0.00 C ATOM 0 H ALA A 13 -3.367 6.971 2.146 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.870 9.179 3.140 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.487 7.697 5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.198 7.713 4.577 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.161 6.331 4.148 1.00 0.00 H new ATOM 224 N LEU A 14 -0.236 6.571 1.975 1.00 0.00 N ATOM 225 CA LEU A 14 1.052 6.144 1.445 1.00 0.00 C ATOM 226 C LEU A 14 1.470 7.064 0.301 1.00 0.00 C ATOM 227 O LEU A 14 2.636 7.441 0.180 1.00 0.00 O ATOM 228 CB LEU A 14 0.967 4.692 0.961 1.00 0.00 C ATOM 229 CG LEU A 14 2.262 4.110 0.393 1.00 0.00 C ATOM 230 CD1 LEU A 14 3.341 4.054 1.464 1.00 0.00 C ATOM 231 CD2 LEU A 14 2.009 2.726 -0.180 1.00 0.00 C ATOM 0 H LEU A 14 -0.992 5.901 1.835 1.00 0.00 H new ATOM 0 HA LEU A 14 1.801 6.202 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.644 4.068 1.794 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.194 4.627 0.195 1.00 0.00 H new ATOM 0 HG LEU A 14 2.611 4.761 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.254 3.637 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.539 5.060 1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.004 3.425 2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.939 2.323 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.638 2.069 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.268 2.792 -0.977 1.00 0.00 H new ATOM 243 N GLU A 15 0.491 7.438 -0.515 1.00 0.00 N ATOM 244 CA GLU A 15 0.709 8.362 -1.621 1.00 0.00 C ATOM 245 C GLU A 15 1.197 9.715 -1.101 1.00 0.00 C ATOM 246 O GLU A 15 2.111 10.316 -1.665 1.00 0.00 O ATOM 247 CB GLU A 15 -0.589 8.532 -2.407 1.00 0.00 C ATOM 248 CG GLU A 15 -0.460 9.414 -3.636 1.00 0.00 C ATOM 249 CD GLU A 15 -1.782 9.601 -4.346 1.00 0.00 C ATOM 250 OE1 GLU A 15 -2.220 8.672 -5.051 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.390 10.682 -4.203 1.00 0.00 O ATOM 0 H GLU A 15 -0.471 7.111 -0.429 1.00 0.00 H new ATOM 0 HA GLU A 15 1.476 7.954 -2.279 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.946 7.549 -2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.347 8.955 -1.748 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.066 10.387 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.261 8.972 -4.324 1.00 0.00 H new ATOM 258 N ALA A 16 0.587 10.179 -0.014 1.00 0.00 N ATOM 259 CA ALA A 16 0.972 11.441 0.611 1.00 0.00 C ATOM 260 C ALA A 16 2.401 11.375 1.133 1.00 0.00 C ATOM 261 O ALA A 16 3.150 12.347 1.050 1.00 0.00 O ATOM 262 CB ALA A 16 0.018 11.790 1.742 1.00 0.00 C ATOM 0 H ALA A 16 -0.180 9.697 0.455 1.00 0.00 H new ATOM 0 HA ALA A 16 0.918 12.222 -0.147 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.321 12.734 2.196 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.994 11.885 1.348 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.042 11.002 2.494 1.00 0.00 H new ATOM 268 N LEU A 17 2.771 10.217 1.663 1.00 0.00 N ATOM 269 CA LEU A 17 4.120 9.998 2.168 1.00 0.00 C ATOM 270 C LEU A 17 5.137 10.095 1.030 1.00 0.00 C ATOM 271 O LEU A 17 6.217 10.668 1.192 1.00 0.00 O ATOM 272 CB LEU A 17 4.189 8.631 2.869 1.00 0.00 C ATOM 273 CG LEU A 17 5.543 8.249 3.480 1.00 0.00 C ATOM 274 CD1 LEU A 17 5.339 7.455 4.761 1.00 0.00 C ATOM 275 CD2 LEU A 17 6.363 7.428 2.496 1.00 0.00 C ATOM 0 H LEU A 17 2.153 9.411 1.755 1.00 0.00 H new ATOM 0 HA LEU A 17 4.367 10.771 2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.439 8.614 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.910 7.862 2.148 1.00 0.00 H new ATOM 0 HG LEU A 17 6.083 9.168 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.308 7.191 5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.783 8.058 5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.779 6.546 4.540 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.320 7.167 2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.821 6.517 2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.536 8.011 1.591 1.00 0.00 H new ATOM 287 N LEU A 18 4.770 9.558 -0.127 1.00 0.00 N ATOM 288 CA LEU A 18 5.621 9.617 -1.311 1.00 0.00 C ATOM 289 C LEU A 18 5.569 11.000 -1.951 1.00 0.00 C ATOM 290 O LEU A 18 6.406 11.341 -2.790 1.00 0.00 O ATOM 291 CB LEU A 18 5.192 8.556 -2.327 1.00 0.00 C ATOM 292 CG LEU A 18 5.324 7.107 -1.852 1.00 0.00 C ATOM 293 CD1 LEU A 18 4.740 6.156 -2.885 1.00 0.00 C ATOM 294 CD2 LEU A 18 6.783 6.770 -1.582 1.00 0.00 C ATOM 0 H LEU A 18 3.884 9.074 -0.272 1.00 0.00 H new ATOM 0 HA LEU A 18 6.647 9.419 -1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.153 8.738 -2.602 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.787 8.681 -3.232 1.00 0.00 H new ATOM 0 HG LEU A 18 4.765 6.993 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.841 5.129 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.685 6.386 -3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.274 6.270 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.861 5.736 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 18 7.361 6.898 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.173 7.434 -0.810 1.00 0.00 H new ATOM 306 N ARG A 19 4.575 11.789 -1.557 1.00 0.00 N ATOM 307 CA ARG A 19 4.440 13.154 -2.047 1.00 0.00 C ATOM 308 C ARG A 19 5.371 14.081 -1.274 1.00 0.00 C ATOM 309 O ARG A 19 5.984 14.979 -1.847 1.00 0.00 O ATOM 310 CB ARG A 19 2.991 13.636 -1.911 1.00 0.00 C ATOM 311 CG ARG A 19 2.720 14.955 -2.616 1.00 0.00 C ATOM 312 CD ARG A 19 2.848 14.808 -4.124 1.00 0.00 C ATOM 313 NE ARG A 19 2.733 16.090 -4.813 1.00 0.00 N ATOM 314 CZ ARG A 19 1.784 16.377 -5.702 1.00 0.00 C ATOM 315 NH1 ARG A 19 0.825 15.496 -5.966 1.00 0.00 N ATOM 316 NH2 ARG A 19 1.783 17.553 -6.313 1.00 0.00 N ATOM 0 H ARG A 19 3.850 11.505 -0.898 1.00 0.00 H new ATOM 0 HA ARG A 19 4.714 13.171 -3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.324 12.874 -2.315 1.00 0.00 H new ATOM 0 HB3 ARG A 19 2.750 13.743 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.719 15.305 -2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.420 15.711 -2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 19 3.809 14.354 -4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.076 14.131 -4.489 1.00 0.00 H new ATOM 0 HE ARG A 19 3.423 16.811 -4.600 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.814 14.596 -5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.100 15.720 -6.648 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.509 18.238 -6.102 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.056 17.773 -6.994 1.00 0.00 H new ATOM 330 N GLU A 20 5.463 13.861 0.033 1.00 0.00 N ATOM 331 CA GLU A 20 6.389 14.610 0.874 1.00 0.00 C ATOM 332 C GLU A 20 7.816 14.179 0.572 1.00 0.00 C ATOM 333 O GLU A 20 8.694 14.999 0.310 1.00 0.00 O ATOM 334 CB GLU A 20 6.087 14.362 2.352 1.00 0.00 C ATOM 335 CG GLU A 20 4.674 14.727 2.768 1.00 0.00 C ATOM 336 CD GLU A 20 4.410 14.411 4.222 1.00 0.00 C ATOM 337 OE1 GLU A 20 3.985 13.277 4.515 1.00 0.00 O ATOM 338 OE2 GLU A 20 4.633 15.288 5.080 1.00 0.00 O ATOM 0 H GLU A 20 4.906 13.168 0.534 1.00 0.00 H new ATOM 0 HA GLU A 20 6.272 15.673 0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 20 6.259 13.309 2.575 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.791 14.934 2.956 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.508 15.790 2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.962 14.186 2.145 1.00 0.00 H new ATOM 345 N HIS A 21 8.024 12.872 0.585 1.00 0.00 N ATOM 346 CA HIS A 21 9.325 12.289 0.309 1.00 0.00 C ATOM 347 C HIS A 21 9.352 11.883 -1.148 1.00 0.00 C ATOM 348 O HIS A 21 9.484 10.704 -1.477 1.00 0.00 O ATOM 349 CB HIS A 21 9.595 11.072 1.209 1.00 0.00 C ATOM 350 CG HIS A 21 9.475 11.355 2.676 1.00 0.00 C ATOM 351 ND1 HIS A 21 10.554 11.641 3.488 1.00 0.00 N ATOM 352 CD2 HIS A 21 8.387 11.384 3.481 1.00 0.00 C ATOM 353 CE1 HIS A 21 10.130 11.833 4.724 1.00 0.00 C ATOM 354 NE2 HIS A 21 8.820 11.684 4.747 1.00 0.00 N ATOM 0 H HIS A 21 7.296 12.187 0.787 1.00 0.00 H new ATOM 0 HA HIS A 21 10.106 13.021 0.518 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.897 10.277 0.945 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.598 10.697 1.003 1.00 0.00 H new ATOM 0 HD2 HIS A 21 7.365 11.204 3.181 1.00 0.00 H new ATOM 0 HE1 HIS A 21 10.752 12.072 5.574 1.00 0.00 H new ATOM 0 HE2 HIS A 21 8.226 11.777 5.571 1.00 0.00 H new ATOM 363 N GLN A 22 9.153 12.891 -1.990 1.00 0.00 N ATOM 364 CA GLN A 22 9.043 12.749 -3.445 1.00 0.00 C ATOM 365 C GLN A 22 9.952 11.670 -4.027 1.00 0.00 C ATOM 366 O GLN A 22 11.140 11.891 -4.274 1.00 0.00 O ATOM 367 CB GLN A 22 9.332 14.080 -4.138 1.00 0.00 C ATOM 368 CG GLN A 22 8.405 15.203 -3.711 1.00 0.00 C ATOM 369 CD GLN A 22 8.571 16.442 -4.562 1.00 0.00 C ATOM 370 OE1 GLN A 22 9.650 16.705 -5.089 1.00 0.00 O ATOM 371 NE2 GLN A 22 7.507 17.211 -4.701 1.00 0.00 N ATOM 0 H GLN A 22 9.061 13.857 -1.675 1.00 0.00 H new ATOM 0 HA GLN A 22 8.016 12.437 -3.633 1.00 0.00 H new ATOM 0 HB2 GLN A 22 10.362 14.372 -3.931 1.00 0.00 H new ATOM 0 HB3 GLN A 22 9.251 13.943 -5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.372 14.860 -3.770 1.00 0.00 H new ATOM 0 HG3 GLN A 22 8.598 15.453 -2.668 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.630 16.956 -4.246 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.562 18.060 -5.263 1.00 0.00 H new ATOM 380 N HIS A 23 9.370 10.498 -4.219 1.00 0.00 N ATOM 381 CA HIS A 23 10.016 9.395 -4.919 1.00 0.00 C ATOM 382 C HIS A 23 8.989 8.728 -5.820 1.00 0.00 C ATOM 383 O HIS A 23 9.130 7.568 -6.208 1.00 0.00 O ATOM 384 CB HIS A 23 10.607 8.374 -3.934 1.00 0.00 C ATOM 385 CG HIS A 23 11.898 8.803 -3.298 1.00 0.00 C ATOM 386 ND1 HIS A 23 13.137 8.477 -3.811 1.00 0.00 N ATOM 387 CD2 HIS A 23 12.142 9.529 -2.180 1.00 0.00 C ATOM 388 CE1 HIS A 23 14.081 8.981 -3.038 1.00 0.00 C ATOM 389 NE2 HIS A 23 13.503 9.621 -2.044 1.00 0.00 N ATOM 0 H HIS A 23 8.429 10.281 -3.892 1.00 0.00 H new ATOM 0 HA HIS A 23 10.842 9.785 -5.514 1.00 0.00 H new ATOM 0 HB2 HIS A 23 9.876 8.179 -3.149 1.00 0.00 H new ATOM 0 HB3 HIS A 23 10.770 7.433 -4.459 1.00 0.00 H new ATOM 0 HD2 HIS A 23 11.402 9.956 -1.519 1.00 0.00 H new ATOM 0 HE1 HIS A 23 15.145 8.885 -3.195 1.00 0.00 H new ATOM 0 HE2 HIS A 23 13.990 10.108 -1.292 1.00 0.00 H new ATOM 398 N TRP A 24 7.957 9.497 -6.152 1.00 0.00 N ATOM 399 CA TRP A 24 6.836 9.009 -6.945 1.00 0.00 C ATOM 400 C TRP A 24 7.269 8.709 -8.376 1.00 0.00 C ATOM 401 O TRP A 24 7.963 9.505 -9.011 1.00 0.00 O ATOM 402 CB TRP A 24 5.698 10.039 -6.931 1.00 0.00 C ATOM 403 CG TRP A 24 4.462 9.585 -7.652 1.00 0.00 C ATOM 404 CD1 TRP A 24 4.123 9.845 -8.950 1.00 0.00 C ATOM 405 CD2 TRP A 24 3.398 8.789 -7.114 1.00 0.00 C ATOM 406 NE1 TRP A 24 2.919 9.256 -9.251 1.00 0.00 N ATOM 407 CE2 TRP A 24 2.453 8.604 -8.141 1.00 0.00 C ATOM 408 CE3 TRP A 24 3.154 8.217 -5.863 1.00 0.00 C ATOM 409 CZ2 TRP A 24 1.286 7.866 -7.954 1.00 0.00 C ATOM 410 CZ3 TRP A 24 1.996 7.487 -5.680 1.00 0.00 C ATOM 411 CH2 TRP A 24 1.073 7.319 -6.720 1.00 0.00 C ATOM 0 H TRP A 24 7.875 10.476 -5.878 1.00 0.00 H new ATOM 0 HA TRP A 24 6.478 8.079 -6.503 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.441 10.268 -5.897 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.053 10.965 -7.384 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.715 10.429 -9.639 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.448 9.298 -10.155 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.858 8.343 -5.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 0.575 7.731 -8.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.799 7.038 -4.718 1.00 0.00 H new ATOM 0 HH2 TRP A 24 0.175 6.746 -6.543 1.00 0.00 H new ATOM 422 N ARG A 25 6.855 7.555 -8.872 1.00 0.00 N ATOM 423 CA ARG A 25 7.197 7.121 -10.216 1.00 0.00 C ATOM 424 C ARG A 25 5.956 7.062 -11.092 1.00 0.00 C ATOM 425 O ARG A 25 4.900 6.598 -10.660 1.00 0.00 O ATOM 426 CB ARG A 25 7.860 5.741 -10.180 1.00 0.00 C ATOM 427 CG ARG A 25 9.190 5.715 -9.445 1.00 0.00 C ATOM 428 CD ARG A 25 10.193 6.662 -10.079 1.00 0.00 C ATOM 429 NE ARG A 25 11.514 6.562 -9.462 1.00 0.00 N ATOM 430 CZ ARG A 25 12.516 7.398 -9.722 1.00 0.00 C ATOM 431 NH1 ARG A 25 12.323 8.433 -10.535 1.00 0.00 N ATOM 432 NH2 ARG A 25 13.705 7.206 -9.162 1.00 0.00 N ATOM 0 H ARG A 25 6.274 6.894 -8.356 1.00 0.00 H new ATOM 0 HA ARG A 25 7.895 7.845 -10.636 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.180 5.034 -9.705 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.014 5.396 -11.202 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.036 5.991 -8.402 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.591 4.701 -9.451 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.274 6.443 -11.144 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.829 7.686 -9.991 1.00 0.00 H new ATOM 0 HE ARG A 25 11.677 5.809 -8.794 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.408 8.585 -10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.090 9.074 -10.735 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.851 6.417 -8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.472 7.847 -9.362 1.00 0.00 H new ATOM 446 N ASN A 26 6.090 7.528 -12.323 1.00 0.00 N ATOM 447 CA ASN A 26 4.994 7.480 -13.277 1.00 0.00 C ATOM 448 C ASN A 26 5.444 6.764 -14.541 1.00 0.00 C ATOM 449 O ASN A 26 6.232 7.297 -15.324 1.00 0.00 O ATOM 450 CB ASN A 26 4.497 8.890 -13.618 1.00 0.00 C ATOM 451 CG ASN A 26 3.260 8.875 -14.503 1.00 0.00 C ATOM 452 OD1 ASN A 26 2.130 8.859 -14.011 1.00 0.00 O ATOM 453 ND2 ASN A 26 3.463 8.885 -15.813 1.00 0.00 N ATOM 0 H ASN A 26 6.948 7.944 -12.685 1.00 0.00 H new ATOM 0 HA ASN A 26 4.168 6.932 -12.825 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.273 9.425 -12.695 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.292 9.440 -14.121 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.668 8.880 -16.452 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.414 8.898 -16.182 1.00 0.00 H new ATOM 460 N ASP A 27 4.960 5.549 -14.724 1.00 0.00 N ATOM 461 CA ASP A 27 5.318 4.753 -15.887 1.00 0.00 C ATOM 462 C ASP A 27 4.394 5.068 -17.056 1.00 0.00 C ATOM 463 O ASP A 27 3.213 5.365 -16.862 1.00 0.00 O ATOM 464 CB ASP A 27 5.246 3.258 -15.544 1.00 0.00 C ATOM 465 CG ASP A 27 5.562 2.359 -16.727 1.00 0.00 C ATOM 466 OD1 ASP A 27 6.754 2.252 -17.088 1.00 0.00 O ATOM 467 OD2 ASP A 27 4.626 1.751 -17.291 1.00 0.00 O ATOM 0 H ASP A 27 4.316 5.089 -14.081 1.00 0.00 H new ATOM 0 HA ASP A 27 6.339 5.002 -16.177 1.00 0.00 H new ATOM 0 HB2 ASP A 27 5.944 3.043 -14.735 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.248 3.024 -15.174 1.00 0.00 H new ATOM 472 N GLU A 28 4.943 5.051 -18.257 1.00 0.00 N ATOM 473 CA GLU A 28 4.137 5.145 -19.458 1.00 0.00 C ATOM 474 C GLU A 28 3.789 3.731 -19.902 1.00 0.00 C ATOM 475 O GLU A 28 4.596 3.090 -20.573 1.00 0.00 O ATOM 476 CB GLU A 28 4.895 5.881 -20.565 1.00 0.00 C ATOM 477 CG GLU A 28 4.041 6.195 -21.782 1.00 0.00 C ATOM 478 CD GLU A 28 2.937 7.189 -21.481 1.00 0.00 C ATOM 479 OE1 GLU A 28 1.850 6.765 -21.038 1.00 0.00 O ATOM 480 OE2 GLU A 28 3.154 8.403 -21.687 1.00 0.00 O ATOM 0 H GLU A 28 5.946 4.973 -18.426 1.00 0.00 H new ATOM 0 HA GLU A 28 3.229 5.711 -19.252 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.296 6.812 -20.163 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.746 5.275 -20.875 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.676 6.592 -22.574 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.601 5.272 -22.160 1.00 0.00 H new ATOM 487 N PRO A 29 2.564 3.266 -19.553 1.00 0.00 N ATOM 488 CA PRO A 29 2.150 1.863 -19.550 1.00 0.00 C ATOM 489 C PRO A 29 3.035 0.914 -20.353 1.00 0.00 C ATOM 490 O PRO A 29 2.739 0.580 -21.505 1.00 0.00 O ATOM 491 CB PRO A 29 0.751 1.963 -20.144 1.00 0.00 C ATOM 492 CG PRO A 29 0.227 3.289 -19.665 1.00 0.00 C ATOM 493 CD PRO A 29 1.417 4.101 -19.185 1.00 0.00 C ATOM 0 HA PRO A 29 2.210 1.426 -18.553 1.00 0.00 H new ATOM 0 HB2 PRO A 29 0.779 1.918 -21.233 1.00 0.00 H new ATOM 0 HB3 PRO A 29 0.118 1.142 -19.807 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -0.293 3.809 -20.469 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -0.492 3.149 -18.858 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.459 5.078 -19.667 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.376 4.278 -18.110 1.00 0.00 H new ATOM 501 N GLN A 30 4.130 0.490 -19.731 1.00 0.00 N ATOM 502 CA GLN A 30 5.057 -0.441 -20.349 1.00 0.00 C ATOM 503 C GLN A 30 4.679 -1.874 -20.000 1.00 0.00 C ATOM 504 O GLN A 30 4.861 -2.317 -18.865 1.00 0.00 O ATOM 505 CB GLN A 30 6.494 -0.148 -19.906 1.00 0.00 C ATOM 506 CG GLN A 30 7.055 1.151 -20.469 1.00 0.00 C ATOM 507 CD GLN A 30 8.463 1.451 -19.984 1.00 0.00 C ATOM 508 OE1 GLN A 30 9.266 2.051 -20.702 1.00 0.00 O ATOM 509 NE2 GLN A 30 8.761 1.070 -18.755 1.00 0.00 N ATOM 0 H GLN A 30 4.396 0.782 -18.790 1.00 0.00 H new ATOM 0 HA GLN A 30 4.998 -0.316 -21.430 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.528 -0.106 -18.817 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.135 -0.974 -20.214 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.056 1.098 -21.558 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.398 1.975 -20.190 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.069 0.575 -18.192 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.683 1.270 -18.368 1.00 0.00 H new ATOM 518 N PRO A 31 4.159 -2.622 -20.984 1.00 0.00 N ATOM 519 CA PRO A 31 3.683 -3.993 -20.774 1.00 0.00 C ATOM 520 C PRO A 31 4.800 -4.924 -20.321 1.00 0.00 C ATOM 521 O PRO A 31 4.554 -5.926 -19.657 1.00 0.00 O ATOM 522 CB PRO A 31 3.153 -4.413 -22.147 1.00 0.00 C ATOM 523 CG PRO A 31 3.794 -3.483 -23.118 1.00 0.00 C ATOM 524 CD PRO A 31 4.002 -2.192 -22.385 1.00 0.00 C ATOM 0 HA PRO A 31 2.930 -4.045 -19.988 1.00 0.00 H new ATOM 0 HB2 PRO A 31 3.409 -5.449 -22.367 1.00 0.00 H new ATOM 0 HB3 PRO A 31 2.066 -4.338 -22.189 1.00 0.00 H new ATOM 0 HG2 PRO A 31 4.742 -3.885 -23.475 1.00 0.00 H new ATOM 0 HG3 PRO A 31 3.161 -3.336 -23.993 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.884 -1.662 -22.745 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.154 -1.518 -22.507 1.00 0.00 H new ATOM 532 N HIS A 32 6.032 -4.564 -20.666 1.00 0.00 N ATOM 533 CA HIS A 32 7.206 -5.335 -20.275 1.00 0.00 C ATOM 534 C HIS A 32 7.259 -5.495 -18.758 1.00 0.00 C ATOM 535 O HIS A 32 7.715 -6.516 -18.249 1.00 0.00 O ATOM 536 CB HIS A 32 8.477 -4.634 -20.769 1.00 0.00 C ATOM 537 CG HIS A 32 9.723 -5.471 -20.689 1.00 0.00 C ATOM 538 ND1 HIS A 32 10.442 -5.837 -21.802 1.00 0.00 N ATOM 539 CD2 HIS A 32 10.389 -5.991 -19.626 1.00 0.00 C ATOM 540 CE1 HIS A 32 11.491 -6.547 -21.433 1.00 0.00 C ATOM 541 NE2 HIS A 32 11.483 -6.655 -20.120 1.00 0.00 N ATOM 0 H HIS A 32 6.244 -3.735 -21.221 1.00 0.00 H new ATOM 0 HA HIS A 32 7.140 -6.324 -20.728 1.00 0.00 H new ATOM 0 HB2 HIS A 32 8.328 -4.326 -21.804 1.00 0.00 H new ATOM 0 HB3 HIS A 32 8.626 -3.726 -20.184 1.00 0.00 H new ATOM 0 HD2 HIS A 32 10.110 -5.899 -18.587 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.232 -6.969 -22.096 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.177 -7.152 -19.562 1.00 0.00 H new ATOM 550 N GLN A 33 6.766 -4.490 -18.042 1.00 0.00 N ATOM 551 CA GLN A 33 6.830 -4.484 -16.587 1.00 0.00 C ATOM 552 C GLN A 33 5.812 -5.450 -15.982 1.00 0.00 C ATOM 553 O GLN A 33 5.991 -5.925 -14.868 1.00 0.00 O ATOM 554 CB GLN A 33 6.604 -3.066 -16.050 1.00 0.00 C ATOM 555 CG GLN A 33 6.750 -2.949 -14.539 1.00 0.00 C ATOM 556 CD GLN A 33 6.632 -1.520 -14.043 1.00 0.00 C ATOM 557 OE1 GLN A 33 6.984 -0.577 -14.746 1.00 0.00 O ATOM 558 NE2 GLN A 33 6.142 -1.352 -12.826 1.00 0.00 N ATOM 0 H GLN A 33 6.317 -3.669 -18.447 1.00 0.00 H new ATOM 0 HA GLN A 33 7.825 -4.819 -16.294 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.313 -2.390 -16.527 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.606 -2.734 -16.336 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.987 -3.560 -14.057 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.717 -3.353 -14.240 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.861 -2.162 -12.273 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.045 -0.413 -12.440 1.00 0.00 H new ATOM 567 N PHE A 34 4.756 -5.753 -16.726 1.00 0.00 N ATOM 568 CA PHE A 34 3.675 -6.582 -16.201 1.00 0.00 C ATOM 569 C PHE A 34 3.697 -7.984 -16.807 1.00 0.00 C ATOM 570 O PHE A 34 3.232 -8.943 -16.189 1.00 0.00 O ATOM 571 CB PHE A 34 2.321 -5.924 -16.469 1.00 0.00 C ATOM 572 CG PHE A 34 2.227 -4.512 -15.962 1.00 0.00 C ATOM 573 CD1 PHE A 34 1.954 -4.255 -14.628 1.00 0.00 C ATOM 574 CD2 PHE A 34 2.414 -3.441 -16.822 1.00 0.00 C ATOM 575 CE1 PHE A 34 1.869 -2.956 -14.162 1.00 0.00 C ATOM 576 CE2 PHE A 34 2.330 -2.141 -16.361 1.00 0.00 C ATOM 577 CZ PHE A 34 2.058 -1.898 -15.030 1.00 0.00 C ATOM 0 H PHE A 34 4.624 -5.441 -17.688 1.00 0.00 H new ATOM 0 HA PHE A 34 3.826 -6.675 -15.125 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.130 -5.929 -17.542 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.538 -6.521 -16.003 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.806 -5.078 -13.945 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.628 -3.625 -17.865 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.655 -2.769 -13.120 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.477 -1.316 -17.042 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.993 -0.883 -14.668 1.00 0.00 H new ATOM 587 N ASN A 35 4.253 -8.105 -18.007 1.00 0.00 N ATOM 588 CA ASN A 35 4.289 -9.386 -18.712 1.00 0.00 C ATOM 589 C ASN A 35 5.386 -10.288 -18.172 1.00 0.00 C ATOM 590 O ASN A 35 5.591 -11.398 -18.665 1.00 0.00 O ATOM 591 CB ASN A 35 4.460 -9.174 -20.218 1.00 0.00 C ATOM 592 CG ASN A 35 3.192 -8.659 -20.874 1.00 0.00 C ATOM 593 OD1 ASN A 35 2.081 -8.969 -20.437 1.00 0.00 O ATOM 594 ND2 ASN A 35 3.342 -7.875 -21.927 1.00 0.00 N ATOM 0 H ASN A 35 4.686 -7.333 -18.514 1.00 0.00 H new ATOM 0 HA ASN A 35 3.334 -9.882 -18.539 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.270 -8.467 -20.394 1.00 0.00 H new ATOM 0 HB3 ASN A 35 4.752 -10.115 -20.684 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.522 -7.504 -22.408 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.277 -7.641 -22.259 1.00 0.00 H new ATOM 601 N SER A 36 6.092 -9.811 -17.163 1.00 0.00 N ATOM 602 CA SER A 36 6.965 -10.666 -16.387 1.00 0.00 C ATOM 603 C SER A 36 6.105 -11.521 -15.470 1.00 0.00 C ATOM 604 O SER A 36 6.444 -12.661 -15.148 1.00 0.00 O ATOM 605 CB SER A 36 7.939 -9.819 -15.577 1.00 0.00 C ATOM 606 OG SER A 36 7.248 -8.815 -14.853 1.00 0.00 O ATOM 0 H SER A 36 6.076 -8.836 -16.863 1.00 0.00 H new ATOM 0 HA SER A 36 7.548 -11.309 -17.046 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.495 -10.454 -14.887 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.668 -9.357 -16.243 1.00 0.00 H new ATOM 0 HG SER A 36 7.165 -8.011 -15.407 1.00 0.00 H new ATOM 612 N THR A 37 4.978 -10.934 -15.058 1.00 0.00 N ATOM 613 CA THR A 37 3.948 -11.634 -14.306 1.00 0.00 C ATOM 614 C THR A 37 4.480 -12.119 -12.947 1.00 0.00 C ATOM 615 O THR A 37 3.995 -13.093 -12.370 1.00 0.00 O ATOM 616 CB THR A 37 3.388 -12.801 -15.149 1.00 0.00 C ATOM 617 OG1 THR A 37 3.123 -12.332 -16.484 1.00 0.00 O ATOM 618 CG2 THR A 37 2.098 -13.360 -14.559 1.00 0.00 C ATOM 0 H THR A 37 4.759 -9.955 -15.241 1.00 0.00 H new ATOM 0 HA THR A 37 3.134 -10.940 -14.095 1.00 0.00 H new ATOM 0 HB THR A 37 4.132 -13.597 -15.155 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.769 -13.068 -17.025 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.738 -14.179 -15.182 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.289 -13.728 -13.551 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.344 -12.574 -14.522 1.00 0.00 H new ATOM 626 N GLN A 38 5.467 -11.401 -12.425 1.00 0.00 N ATOM 627 CA GLN A 38 5.992 -11.676 -11.095 1.00 0.00 C ATOM 628 C GLN A 38 5.118 -11.013 -10.036 1.00 0.00 C ATOM 629 O GLN A 38 4.547 -9.951 -10.275 1.00 0.00 O ATOM 630 CB GLN A 38 7.429 -11.174 -10.965 1.00 0.00 C ATOM 631 CG GLN A 38 8.442 -11.980 -11.757 1.00 0.00 C ATOM 632 CD GLN A 38 9.860 -11.515 -11.508 1.00 0.00 C ATOM 633 OE1 GLN A 38 10.102 -10.336 -11.262 1.00 0.00 O ATOM 634 NE2 GLN A 38 10.801 -12.438 -11.542 1.00 0.00 N ATOM 0 H GLN A 38 5.920 -10.623 -12.904 1.00 0.00 H new ATOM 0 HA GLN A 38 5.984 -12.755 -10.943 1.00 0.00 H new ATOM 0 HB2 GLN A 38 7.471 -10.135 -11.293 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.713 -11.187 -9.913 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.354 -13.033 -11.491 1.00 0.00 H new ATOM 0 HG3 GLN A 38 8.216 -11.900 -12.820 1.00 0.00 H new ATOM 0 HE21 GLN A 38 10.558 -13.407 -11.750 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.772 -12.183 -11.360 1.00 0.00 H new ATOM 643 N PRO A 39 5.010 -11.625 -8.846 1.00 0.00 N ATOM 644 CA PRO A 39 4.172 -11.101 -7.760 1.00 0.00 C ATOM 645 C PRO A 39 4.594 -9.704 -7.310 1.00 0.00 C ATOM 646 O PRO A 39 3.752 -8.878 -6.976 1.00 0.00 O ATOM 647 CB PRO A 39 4.362 -12.116 -6.625 1.00 0.00 C ATOM 648 CG PRO A 39 5.611 -12.856 -6.966 1.00 0.00 C ATOM 649 CD PRO A 39 5.680 -12.880 -8.465 1.00 0.00 C ATOM 0 HA PRO A 39 3.134 -10.990 -8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.452 -11.616 -5.661 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.510 -12.793 -6.555 1.00 0.00 H new ATOM 0 HG2 PRO A 39 6.485 -12.362 -6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.589 -13.867 -6.560 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.710 -12.913 -8.821 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.172 -13.751 -8.879 1.00 0.00 H new ATOM 657 N PHE A 40 5.897 -9.449 -7.317 1.00 0.00 N ATOM 658 CA PHE A 40 6.432 -8.159 -6.877 1.00 0.00 C ATOM 659 C PHE A 40 7.286 -7.508 -7.962 1.00 0.00 C ATOM 660 O PHE A 40 7.933 -6.492 -7.714 1.00 0.00 O ATOM 661 CB PHE A 40 7.275 -8.329 -5.609 1.00 0.00 C ATOM 662 CG PHE A 40 6.485 -8.677 -4.380 1.00 0.00 C ATOM 663 CD1 PHE A 40 5.961 -7.679 -3.576 1.00 0.00 C ATOM 664 CD2 PHE A 40 6.279 -10.000 -4.021 1.00 0.00 C ATOM 665 CE1 PHE A 40 5.248 -7.992 -2.438 1.00 0.00 C ATOM 666 CE2 PHE A 40 5.564 -10.319 -2.884 1.00 0.00 C ATOM 667 CZ PHE A 40 5.049 -9.313 -2.092 1.00 0.00 C ATOM 0 H PHE A 40 6.606 -10.116 -7.622 1.00 0.00 H new ATOM 0 HA PHE A 40 5.580 -7.512 -6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.016 -9.109 -5.782 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.822 -7.404 -5.425 1.00 0.00 H new ATOM 0 HD1 PHE A 40 6.112 -6.644 -3.843 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.682 -10.790 -4.638 1.00 0.00 H new ATOM 0 HE1 PHE A 40 4.846 -7.204 -1.818 1.00 0.00 H new ATOM 0 HE2 PHE A 40 5.408 -11.353 -2.615 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.490 -9.560 -1.201 1.00 0.00 H new ATOM 677 N PHE A 41 7.276 -8.102 -9.159 1.00 0.00 N ATOM 678 CA PHE A 41 8.091 -7.625 -10.285 1.00 0.00 C ATOM 679 C PHE A 41 9.541 -7.380 -9.851 1.00 0.00 C ATOM 680 O PHE A 41 10.096 -6.304 -10.067 1.00 0.00 O ATOM 681 CB PHE A 41 7.488 -6.349 -10.883 1.00 0.00 C ATOM 682 CG PHE A 41 6.063 -6.509 -11.341 1.00 0.00 C ATOM 683 CD1 PHE A 41 5.720 -7.473 -12.279 1.00 0.00 C ATOM 684 CD2 PHE A 41 5.065 -5.688 -10.839 1.00 0.00 C ATOM 685 CE1 PHE A 41 4.411 -7.615 -12.703 1.00 0.00 C ATOM 686 CE2 PHE A 41 3.756 -5.827 -11.259 1.00 0.00 C ATOM 687 CZ PHE A 41 3.429 -6.790 -12.192 1.00 0.00 C ATOM 0 H PHE A 41 6.708 -8.921 -9.376 1.00 0.00 H new ATOM 0 HA PHE A 41 8.094 -8.401 -11.051 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.534 -5.553 -10.140 1.00 0.00 H new ATOM 0 HB3 PHE A 41 8.098 -6.031 -11.728 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.485 -8.120 -12.683 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.314 -4.930 -10.111 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.158 -8.370 -13.433 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.989 -5.182 -10.857 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.406 -6.898 -12.522 1.00 0.00 H new ATOM 697 N MET A 42 10.151 -8.409 -9.273 1.00 0.00 N ATOM 698 CA MET A 42 11.461 -8.288 -8.640 1.00 0.00 C ATOM 699 C MET A 42 12.580 -8.173 -9.673 1.00 0.00 C ATOM 700 O MET A 42 13.554 -7.456 -9.464 1.00 0.00 O ATOM 701 CB MET A 42 11.719 -9.503 -7.742 1.00 0.00 C ATOM 702 CG MET A 42 10.613 -9.771 -6.733 1.00 0.00 C ATOM 703 SD MET A 42 10.816 -11.356 -5.892 1.00 0.00 S ATOM 704 CE MET A 42 9.377 -11.364 -4.822 1.00 0.00 C ATOM 0 H MET A 42 9.754 -9.348 -9.230 1.00 0.00 H new ATOM 0 HA MET A 42 11.457 -7.376 -8.043 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.846 -10.385 -8.369 1.00 0.00 H new ATOM 0 HB3 MET A 42 12.657 -9.354 -7.207 1.00 0.00 H new ATOM 0 HG2 MET A 42 10.598 -8.970 -5.994 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.649 -9.754 -7.242 1.00 0.00 H new ATOM 0 HE1 MET A 42 9.541 -12.057 -3.997 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.212 -10.362 -4.427 1.00 0.00 H new ATOM 0 HE3 MET A 42 8.502 -11.678 -5.391 1.00 0.00 H new ATOM 714 N ASP A 43 12.439 -8.888 -10.781 1.00 0.00 N ATOM 715 CA ASP A 43 13.484 -8.926 -11.802 1.00 0.00 C ATOM 716 C ASP A 43 13.203 -7.936 -12.915 1.00 0.00 C ATOM 717 O ASP A 43 14.073 -7.647 -13.738 1.00 0.00 O ATOM 718 CB ASP A 43 13.612 -10.327 -12.402 1.00 0.00 C ATOM 719 CG ASP A 43 14.163 -11.339 -11.421 1.00 0.00 C ATOM 720 OD1 ASP A 43 15.403 -11.474 -11.333 1.00 0.00 O ATOM 721 OD2 ASP A 43 13.360 -12.012 -10.742 1.00 0.00 O ATOM 0 H ASP A 43 11.615 -9.449 -10.998 1.00 0.00 H new ATOM 0 HA ASP A 43 14.419 -8.655 -11.312 1.00 0.00 H new ATOM 0 HB2 ASP A 43 12.633 -10.659 -12.748 1.00 0.00 H new ATOM 0 HB3 ASP A 43 14.262 -10.285 -13.276 1.00 0.00 H new ATOM 726 N THR A 44 11.987 -7.424 -12.948 1.00 0.00 N ATOM 727 CA THR A 44 11.577 -6.525 -14.009 1.00 0.00 C ATOM 728 C THR A 44 11.996 -5.095 -13.698 1.00 0.00 C ATOM 729 O THR A 44 12.233 -4.293 -14.602 1.00 0.00 O ATOM 730 CB THR A 44 10.058 -6.584 -14.205 1.00 0.00 C ATOM 731 OG1 THR A 44 9.587 -7.890 -13.851 1.00 0.00 O ATOM 732 CG2 THR A 44 9.689 -6.285 -15.647 1.00 0.00 C ATOM 0 H THR A 44 11.266 -7.616 -12.252 1.00 0.00 H new ATOM 0 HA THR A 44 12.069 -6.844 -14.928 1.00 0.00 H new ATOM 0 HB THR A 44 9.592 -5.833 -13.567 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.671 -8.007 -14.178 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.606 -6.332 -15.763 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.039 -5.288 -15.913 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.157 -7.020 -16.302 1.00 0.00 H new ATOM 740 N MET A 45 12.089 -4.789 -12.414 1.00 0.00 N ATOM 741 CA MET A 45 12.506 -3.475 -11.958 1.00 0.00 C ATOM 742 C MET A 45 12.765 -3.555 -10.463 1.00 0.00 C ATOM 743 O MET A 45 12.718 -4.644 -9.893 1.00 0.00 O ATOM 744 CB MET A 45 11.429 -2.429 -12.271 1.00 0.00 C ATOM 745 CG MET A 45 11.949 -1.001 -12.294 1.00 0.00 C ATOM 746 SD MET A 45 10.697 0.188 -12.805 1.00 0.00 S ATOM 747 CE MET A 45 10.252 -0.466 -14.416 1.00 0.00 C ATOM 0 H MET A 45 11.878 -5.444 -11.661 1.00 0.00 H new ATOM 0 HA MET A 45 13.415 -3.169 -12.475 1.00 0.00 H new ATOM 0 HB2 MET A 45 10.983 -2.659 -13.239 1.00 0.00 H new ATOM 0 HB3 MET A 45 10.635 -2.505 -11.528 1.00 0.00 H new ATOM 0 HG2 MET A 45 12.312 -0.735 -11.301 1.00 0.00 H new ATOM 0 HG3 MET A 45 12.800 -0.940 -12.972 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.838 0.333 -15.031 1.00 0.00 H new ATOM 0 HE2 MET A 45 11.139 -0.875 -14.900 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.509 -1.254 -14.296 1.00 0.00 H new ATOM 757 N GLU A 46 13.044 -2.430 -9.828 1.00 0.00 N ATOM 758 CA GLU A 46 13.273 -2.424 -8.396 1.00 0.00 C ATOM 759 C GLU A 46 11.970 -2.723 -7.664 1.00 0.00 C ATOM 760 O GLU A 46 10.910 -2.226 -8.055 1.00 0.00 O ATOM 761 CB GLU A 46 13.838 -1.076 -7.940 1.00 0.00 C ATOM 762 CG GLU A 46 15.036 -0.609 -8.750 1.00 0.00 C ATOM 763 CD GLU A 46 16.080 -1.690 -8.928 1.00 0.00 C ATOM 764 OE1 GLU A 46 16.753 -2.050 -7.941 1.00 0.00 O ATOM 765 OE2 GLU A 46 16.229 -2.192 -10.064 1.00 0.00 O ATOM 0 H GLU A 46 13.117 -1.517 -10.277 1.00 0.00 H new ATOM 0 HA GLU A 46 14.004 -3.197 -8.158 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.052 -0.323 -8.003 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.126 -1.149 -6.891 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.697 -0.272 -9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.490 0.251 -8.257 1.00 0.00 H new ATOM 772 N PRO A 47 12.029 -3.529 -6.589 1.00 0.00 N ATOM 773 CA PRO A 47 10.841 -3.935 -5.821 1.00 0.00 C ATOM 774 C PRO A 47 10.068 -2.748 -5.248 1.00 0.00 C ATOM 775 O PRO A 47 8.948 -2.897 -4.763 1.00 0.00 O ATOM 776 CB PRO A 47 11.417 -4.795 -4.686 1.00 0.00 C ATOM 777 CG PRO A 47 12.868 -4.455 -4.633 1.00 0.00 C ATOM 778 CD PRO A 47 13.258 -4.126 -6.042 1.00 0.00 C ATOM 0 HA PRO A 47 10.122 -4.459 -6.451 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.926 -4.575 -3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.269 -5.857 -4.883 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.048 -3.610 -3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.453 -5.291 -4.250 1.00 0.00 H new ATOM 0 HD2 PRO A 47 14.096 -3.430 -6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 47 13.558 -5.015 -6.597 1.00 0.00 H new ATOM 786 N LEU A 48 10.670 -1.568 -5.314 1.00 0.00 N ATOM 787 CA LEU A 48 10.050 -0.357 -4.802 1.00 0.00 C ATOM 788 C LEU A 48 9.005 0.176 -5.779 1.00 0.00 C ATOM 789 O LEU A 48 8.065 0.863 -5.377 1.00 0.00 O ATOM 790 CB LEU A 48 11.114 0.714 -4.544 1.00 0.00 C ATOM 791 CG LEU A 48 12.217 0.315 -3.562 1.00 0.00 C ATOM 792 CD1 LEU A 48 13.246 1.429 -3.443 1.00 0.00 C ATOM 793 CD2 LEU A 48 11.629 -0.013 -2.198 1.00 0.00 C ATOM 0 H LEU A 48 11.594 -1.425 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 48 9.553 -0.602 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.576 0.981 -5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.621 1.610 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 48 12.712 -0.578 -3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.025 1.131 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 48 13.691 1.619 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.760 2.336 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.430 -0.294 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 48 11.108 0.861 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.927 -0.841 -2.294 1.00 0.00 H new ATOM 805 N GLU A 49 9.165 -0.147 -7.061 1.00 0.00 N ATOM 806 CA GLU A 49 8.253 0.342 -8.094 1.00 0.00 C ATOM 807 C GLU A 49 6.995 -0.517 -8.180 1.00 0.00 C ATOM 808 O GLU A 49 6.154 -0.317 -9.054 1.00 0.00 O ATOM 809 CB GLU A 49 8.939 0.396 -9.464 1.00 0.00 C ATOM 810 CG GLU A 49 9.792 1.639 -9.686 1.00 0.00 C ATOM 811 CD GLU A 49 11.079 1.638 -8.889 1.00 0.00 C ATOM 812 OE1 GLU A 49 11.065 2.088 -7.725 1.00 0.00 O ATOM 813 OE2 GLU A 49 12.114 1.214 -9.433 1.00 0.00 O ATOM 0 H GLU A 49 9.916 -0.744 -7.409 1.00 0.00 H new ATOM 0 HA GLU A 49 7.964 1.353 -7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.567 -0.487 -9.579 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.177 0.348 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.031 1.722 -10.746 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.210 2.522 -9.420 1.00 0.00 H new ATOM 820 N TRP A 50 6.880 -1.474 -7.275 1.00 0.00 N ATOM 821 CA TRP A 50 5.682 -2.293 -7.180 1.00 0.00 C ATOM 822 C TRP A 50 4.684 -1.640 -6.226 1.00 0.00 C ATOM 823 O TRP A 50 3.474 -1.638 -6.474 1.00 0.00 O ATOM 824 CB TRP A 50 6.040 -3.703 -6.696 1.00 0.00 C ATOM 825 CG TRP A 50 4.857 -4.605 -6.532 1.00 0.00 C ATOM 826 CD1 TRP A 50 4.267 -5.367 -7.498 1.00 0.00 C ATOM 827 CD2 TRP A 50 4.120 -4.841 -5.328 1.00 0.00 C ATOM 828 NE1 TRP A 50 3.213 -6.065 -6.967 1.00 0.00 N ATOM 829 CE2 TRP A 50 3.101 -5.759 -5.637 1.00 0.00 C ATOM 830 CE3 TRP A 50 4.226 -4.364 -4.017 1.00 0.00 C ATOM 831 CZ2 TRP A 50 2.194 -6.211 -4.683 1.00 0.00 C ATOM 832 CZ3 TRP A 50 3.325 -4.812 -3.073 1.00 0.00 C ATOM 833 CH2 TRP A 50 2.321 -5.727 -3.410 1.00 0.00 C ATOM 0 H TRP A 50 7.603 -1.704 -6.594 1.00 0.00 H new ATOM 0 HA TRP A 50 5.226 -2.373 -8.167 1.00 0.00 H new ATOM 0 HB2 TRP A 50 6.734 -4.155 -7.405 1.00 0.00 H new ATOM 0 HB3 TRP A 50 6.562 -3.628 -5.742 1.00 0.00 H new ATOM 0 HD1 TRP A 50 4.584 -5.414 -8.529 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.610 -6.708 -7.480 1.00 0.00 H new ATOM 0 HE3 TRP A 50 4.999 -3.658 -3.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.418 -6.918 -4.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.396 -4.451 -2.058 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.631 -6.058 -2.648 1.00 0.00 H new ATOM 844 N LEU A 51 5.218 -1.074 -5.144 1.00 0.00 N ATOM 845 CA LEU A 51 4.417 -0.428 -4.109 1.00 0.00 C ATOM 846 C LEU A 51 3.530 0.658 -4.708 1.00 0.00 C ATOM 847 O LEU A 51 2.324 0.706 -4.462 1.00 0.00 O ATOM 848 CB LEU A 51 5.344 0.179 -3.053 1.00 0.00 C ATOM 849 CG LEU A 51 4.653 0.703 -1.797 1.00 0.00 C ATOM 850 CD1 LEU A 51 3.986 -0.437 -1.045 1.00 0.00 C ATOM 851 CD2 LEU A 51 5.652 1.423 -0.906 1.00 0.00 C ATOM 0 H LEU A 51 6.221 -1.051 -4.962 1.00 0.00 H new ATOM 0 HA LEU A 51 3.774 -1.176 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.073 -0.575 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.900 0.998 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 51 3.882 1.415 -2.093 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.498 -0.047 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.244 -0.911 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.738 -1.171 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.145 1.791 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.443 0.732 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.085 2.263 -1.450 1.00 0.00 H new ATOM 863 N GLN A 52 4.136 1.524 -5.500 1.00 0.00 N ATOM 864 CA GLN A 52 3.401 2.573 -6.176 1.00 0.00 C ATOM 865 C GLN A 52 3.170 2.186 -7.627 1.00 0.00 C ATOM 866 O GLN A 52 3.798 1.254 -8.124 1.00 0.00 O ATOM 867 CB GLN A 52 4.151 3.903 -6.089 1.00 0.00 C ATOM 868 CG GLN A 52 5.575 3.850 -6.618 1.00 0.00 C ATOM 869 CD GLN A 52 6.236 5.212 -6.612 1.00 0.00 C ATOM 870 OE1 GLN A 52 5.571 6.232 -6.769 1.00 0.00 O ATOM 871 NE2 GLN A 52 7.545 5.241 -6.433 1.00 0.00 N ATOM 0 H GLN A 52 5.138 1.520 -5.690 1.00 0.00 H new ATOM 0 HA GLN A 52 2.436 2.698 -5.684 1.00 0.00 H new ATOM 0 HB2 GLN A 52 3.596 4.658 -6.646 1.00 0.00 H new ATOM 0 HB3 GLN A 52 4.173 4.227 -5.049 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.161 3.160 -6.011 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.569 3.455 -7.634 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.062 4.371 -6.306 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.039 6.134 -6.422 1.00 0.00 H new ATOM 880 N TRP A 53 2.253 2.894 -8.282 1.00 0.00 N ATOM 881 CA TRP A 53 1.908 2.655 -9.689 1.00 0.00 C ATOM 882 C TRP A 53 1.119 1.353 -9.874 1.00 0.00 C ATOM 883 O TRP A 53 0.093 1.342 -10.549 1.00 0.00 O ATOM 884 CB TRP A 53 3.158 2.661 -10.580 1.00 0.00 C ATOM 885 CG TRP A 53 2.849 2.467 -12.035 1.00 0.00 C ATOM 886 CD1 TRP A 53 3.220 1.415 -12.823 1.00 0.00 C ATOM 887 CD2 TRP A 53 2.086 3.347 -12.872 1.00 0.00 C ATOM 888 NE1 TRP A 53 2.745 1.592 -14.099 1.00 0.00 N ATOM 889 CE2 TRP A 53 2.044 2.768 -14.154 1.00 0.00 C ATOM 890 CE3 TRP A 53 1.438 4.569 -12.663 1.00 0.00 C ATOM 891 CZ2 TRP A 53 1.378 3.366 -15.220 1.00 0.00 C ATOM 892 CZ3 TRP A 53 0.778 5.161 -13.722 1.00 0.00 C ATOM 893 CH2 TRP A 53 0.752 4.560 -14.986 1.00 0.00 C ATOM 0 H TRP A 53 1.724 3.654 -7.854 1.00 0.00 H new ATOM 0 HA TRP A 53 1.263 3.477 -9.999 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.684 3.607 -10.450 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.834 1.872 -10.251 1.00 0.00 H new ATOM 0 HD1 TRP A 53 3.802 0.568 -12.491 1.00 0.00 H new ATOM 0 HE1 TRP A 53 2.890 0.952 -14.880 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.454 5.041 -11.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.356 2.904 -16.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 0.273 6.104 -13.572 1.00 0.00 H new ATOM 0 HH2 TRP A 53 0.227 5.049 -15.793 1.00 0.00 H new ATOM 904 N VAL A 54 1.587 0.265 -9.278 1.00 0.00 N ATOM 905 CA VAL A 54 0.892 -1.008 -9.388 1.00 0.00 C ATOM 906 C VAL A 54 -0.036 -1.234 -8.199 1.00 0.00 C ATOM 907 O VAL A 54 -1.255 -1.191 -8.349 1.00 0.00 O ATOM 908 CB VAL A 54 1.864 -2.201 -9.500 1.00 0.00 C ATOM 909 CG1 VAL A 54 1.088 -3.500 -9.673 1.00 0.00 C ATOM 910 CG2 VAL A 54 2.840 -1.998 -10.650 1.00 0.00 C ATOM 0 H VAL A 54 2.439 0.239 -8.717 1.00 0.00 H new ATOM 0 HA VAL A 54 0.306 -0.954 -10.306 1.00 0.00 H new ATOM 0 HB VAL A 54 2.441 -2.263 -8.577 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.786 -4.333 -9.751 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.436 -3.652 -8.813 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.485 -3.446 -10.580 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.515 -2.852 -10.709 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.287 -1.907 -11.585 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.418 -1.089 -10.481 1.00 0.00 H new ATOM 920 N LEU A 55 0.547 -1.450 -7.020 1.00 0.00 N ATOM 921 CA LEU A 55 -0.215 -1.841 -5.834 1.00 0.00 C ATOM 922 C LEU A 55 -1.353 -0.870 -5.518 1.00 0.00 C ATOM 923 O LEU A 55 -2.502 -1.292 -5.373 1.00 0.00 O ATOM 924 CB LEU A 55 0.710 -1.962 -4.621 1.00 0.00 C ATOM 925 CG LEU A 55 0.019 -2.368 -3.316 1.00 0.00 C ATOM 926 CD1 LEU A 55 -0.579 -3.760 -3.433 1.00 0.00 C ATOM 927 CD2 LEU A 55 0.991 -2.299 -2.152 1.00 0.00 C ATOM 0 H LEU A 55 1.550 -1.360 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.663 -2.809 -6.056 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.486 -2.694 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.209 -1.005 -4.467 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.792 -1.664 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.065 -4.027 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.313 -3.774 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.211 -4.478 -3.650 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.481 -2.591 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.826 -2.976 -2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.365 -1.280 -2.051 1.00 0.00 H new ATOM 939 N ILE A 56 -1.037 0.416 -5.420 1.00 0.00 N ATOM 940 CA ILE A 56 -2.030 1.411 -5.021 1.00 0.00 C ATOM 941 C ILE A 56 -3.261 1.413 -5.954 1.00 0.00 C ATOM 942 O ILE A 56 -4.375 1.175 -5.483 1.00 0.00 O ATOM 943 CB ILE A 56 -1.415 2.831 -4.892 1.00 0.00 C ATOM 944 CG1 ILE A 56 -0.305 2.828 -3.836 1.00 0.00 C ATOM 945 CG2 ILE A 56 -2.485 3.849 -4.532 1.00 0.00 C ATOM 946 CD1 ILE A 56 0.414 4.155 -3.699 1.00 0.00 C ATOM 0 H ILE A 56 -0.109 0.794 -5.609 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.378 1.118 -4.030 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.987 3.113 -5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.735 2.557 -2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.422 2.056 -4.089 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.033 4.837 -4.446 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -3.248 3.865 -5.310 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.942 3.576 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.185 4.074 -2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.875 4.419 -4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.300 4.928 -3.415 1.00 0.00 H new ATOM 958 N PRO A 57 -3.112 1.644 -7.281 1.00 0.00 N ATOM 959 CA PRO A 57 -4.260 1.649 -8.201 1.00 0.00 C ATOM 960 C PRO A 57 -4.915 0.275 -8.321 1.00 0.00 C ATOM 961 O PRO A 57 -6.129 0.170 -8.512 1.00 0.00 O ATOM 962 CB PRO A 57 -3.661 2.073 -9.548 1.00 0.00 C ATOM 963 CG PRO A 57 -2.342 2.668 -9.213 1.00 0.00 C ATOM 964 CD PRO A 57 -1.859 1.921 -8.005 1.00 0.00 C ATOM 0 HA PRO A 57 -5.048 2.315 -7.849 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.550 1.219 -10.217 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.302 2.794 -10.055 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -1.643 2.565 -10.043 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.434 3.734 -9.004 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.336 1.004 -8.277 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.168 2.517 -7.408 1.00 0.00 H new ATOM 972 N ARG A 58 -4.106 -0.776 -8.203 1.00 0.00 N ATOM 973 CA ARG A 58 -4.608 -2.145 -8.251 1.00 0.00 C ATOM 974 C ARG A 58 -5.614 -2.378 -7.129 1.00 0.00 C ATOM 975 O ARG A 58 -6.690 -2.942 -7.349 1.00 0.00 O ATOM 976 CB ARG A 58 -3.446 -3.135 -8.139 1.00 0.00 C ATOM 977 CG ARG A 58 -3.866 -4.594 -8.082 1.00 0.00 C ATOM 978 CD ARG A 58 -2.652 -5.506 -8.037 1.00 0.00 C ATOM 979 NE ARG A 58 -3.020 -6.906 -7.830 1.00 0.00 N ATOM 980 CZ ARG A 58 -2.184 -7.930 -7.997 1.00 0.00 C ATOM 981 NH1 ARG A 58 -0.939 -7.722 -8.412 1.00 0.00 N ATOM 982 NH2 ARG A 58 -2.599 -9.164 -7.753 1.00 0.00 N ATOM 0 H ARG A 58 -3.097 -0.704 -8.073 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.111 -2.302 -9.205 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.782 -2.994 -8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.870 -2.900 -7.244 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.486 -4.764 -7.202 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.475 -4.836 -8.953 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.095 -5.413 -8.969 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.988 -5.184 -7.235 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.976 -7.111 -7.540 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.618 -6.773 -8.605 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.305 -8.511 -8.538 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.555 -9.328 -7.439 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.962 -9.951 -7.880 1.00 0.00 H new ATOM 996 N MET A 59 -5.266 -1.919 -5.934 1.00 0.00 N ATOM 997 CA MET A 59 -6.133 -2.076 -4.775 1.00 0.00 C ATOM 998 C MET A 59 -7.337 -1.147 -4.858 1.00 0.00 C ATOM 999 O MET A 59 -8.413 -1.494 -4.387 1.00 0.00 O ATOM 1000 CB MET A 59 -5.358 -1.833 -3.480 1.00 0.00 C ATOM 1001 CG MET A 59 -4.355 -2.928 -3.162 1.00 0.00 C ATOM 1002 SD MET A 59 -5.125 -4.556 -3.049 1.00 0.00 S ATOM 1003 CE MET A 59 -3.701 -5.584 -2.694 1.00 0.00 C ATOM 0 H MET A 59 -4.389 -1.435 -5.742 1.00 0.00 H new ATOM 0 HA MET A 59 -6.498 -3.103 -4.771 1.00 0.00 H new ATOM 0 HB2 MET A 59 -4.834 -0.880 -3.553 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.064 -1.746 -2.654 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.585 -2.946 -3.933 1.00 0.00 H new ATOM 0 HG3 MET A 59 -3.857 -2.698 -2.220 1.00 0.00 H new ATOM 0 HE1 MET A 59 -4.017 -6.622 -2.596 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.980 -5.500 -3.507 1.00 0.00 H new ATOM 0 HE3 MET A 59 -3.239 -5.256 -1.763 1.00 0.00 H new ATOM 1013 N HIS A 60 -7.158 0.025 -5.473 1.00 0.00 N ATOM 1014 CA HIS A 60 -8.271 0.964 -5.667 1.00 0.00 C ATOM 1015 C HIS A 60 -9.448 0.267 -6.343 1.00 0.00 C ATOM 1016 O HIS A 60 -10.585 0.351 -5.877 1.00 0.00 O ATOM 1017 CB HIS A 60 -7.846 2.175 -6.511 1.00 0.00 C ATOM 1018 CG HIS A 60 -7.287 3.324 -5.723 1.00 0.00 C ATOM 1019 ND1 HIS A 60 -8.059 4.374 -5.277 1.00 0.00 N ATOM 1020 CD2 HIS A 60 -6.023 3.607 -5.337 1.00 0.00 C ATOM 1021 CE1 HIS A 60 -7.293 5.250 -4.656 1.00 0.00 C ATOM 1022 NE2 HIS A 60 -6.048 4.813 -4.677 1.00 0.00 N ATOM 0 H HIS A 60 -6.263 0.346 -5.843 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.572 1.317 -4.681 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.099 1.851 -7.235 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.708 2.526 -7.078 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.150 2.996 -5.515 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.629 6.172 -4.205 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -5.242 5.289 -4.273 1.00 0.00 H new ATOM 1031 N ASP A 61 -9.156 -0.440 -7.428 1.00 0.00 N ATOM 1032 CA ASP A 61 -10.180 -1.160 -8.182 1.00 0.00 C ATOM 1033 C ASP A 61 -10.704 -2.358 -7.394 1.00 0.00 C ATOM 1034 O ASP A 61 -11.902 -2.648 -7.408 1.00 0.00 O ATOM 1035 CB ASP A 61 -9.619 -1.626 -9.527 1.00 0.00 C ATOM 1036 CG ASP A 61 -10.573 -2.544 -10.261 1.00 0.00 C ATOM 1037 OD1 ASP A 61 -11.572 -2.048 -10.820 1.00 0.00 O ATOM 1038 OD2 ASP A 61 -10.332 -3.770 -10.272 1.00 0.00 O ATOM 0 H ASP A 61 -8.214 -0.531 -7.808 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.010 -0.476 -8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.404 -0.757 -10.149 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.674 -2.143 -9.364 1.00 0.00 H new ATOM 1043 N LEU A 62 -9.802 -3.042 -6.700 1.00 0.00 N ATOM 1044 CA LEU A 62 -10.163 -4.215 -5.908 1.00 0.00 C ATOM 1045 C LEU A 62 -11.148 -3.827 -4.808 1.00 0.00 C ATOM 1046 O LEU A 62 -12.166 -4.493 -4.600 1.00 0.00 O ATOM 1047 CB LEU A 62 -8.891 -4.850 -5.315 1.00 0.00 C ATOM 1048 CG LEU A 62 -9.079 -6.170 -4.547 1.00 0.00 C ATOM 1049 CD1 LEU A 62 -7.805 -6.996 -4.609 1.00 0.00 C ATOM 1050 CD2 LEU A 62 -9.450 -5.910 -3.093 1.00 0.00 C ATOM 0 H LEU A 62 -8.811 -2.804 -6.669 1.00 0.00 H new ATOM 0 HA LEU A 62 -10.650 -4.949 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -8.186 -5.025 -6.128 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -8.430 -4.127 -4.643 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.893 -6.721 -5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.949 -7.928 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -7.566 -7.218 -5.649 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.985 -6.435 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.577 -6.860 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.657 -5.337 -2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.382 -5.346 -3.050 1.00 0.00 H new ATOM 1062 N LEU A 63 -10.843 -2.733 -4.123 1.00 0.00 N ATOM 1063 CA LEU A 63 -11.695 -2.220 -3.059 1.00 0.00 C ATOM 1064 C LEU A 63 -13.064 -1.839 -3.605 1.00 0.00 C ATOM 1065 O LEU A 63 -14.095 -2.142 -3.001 1.00 0.00 O ATOM 1066 CB LEU A 63 -11.045 -0.998 -2.408 1.00 0.00 C ATOM 1067 CG LEU A 63 -9.689 -1.255 -1.748 1.00 0.00 C ATOM 1068 CD1 LEU A 63 -9.021 0.059 -1.377 1.00 0.00 C ATOM 1069 CD2 LEU A 63 -9.852 -2.139 -0.522 1.00 0.00 C ATOM 0 H LEU A 63 -10.003 -2.179 -4.288 1.00 0.00 H new ATOM 0 HA LEU A 63 -11.820 -3.004 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.921 -0.225 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.727 -0.601 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.050 -1.775 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.058 -0.142 -0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -8.870 0.657 -2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -9.656 0.606 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.877 -2.311 -0.065 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.508 -1.647 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.288 -3.093 -0.817 1.00 0.00 H new ATOM 1081 N ASP A 64 -13.064 -1.187 -4.759 1.00 0.00 N ATOM 1082 CA ASP A 64 -14.295 -0.720 -5.384 1.00 0.00 C ATOM 1083 C ASP A 64 -15.171 -1.881 -5.841 1.00 0.00 C ATOM 1084 O ASP A 64 -16.395 -1.808 -5.766 1.00 0.00 O ATOM 1085 CB ASP A 64 -13.971 0.180 -6.573 1.00 0.00 C ATOM 1086 CG ASP A 64 -15.207 0.578 -7.348 1.00 0.00 C ATOM 1087 OD1 ASP A 64 -15.909 1.516 -6.914 1.00 0.00 O ATOM 1088 OD2 ASP A 64 -15.479 -0.043 -8.397 1.00 0.00 O ATOM 0 H ASP A 64 -12.218 -0.968 -5.286 1.00 0.00 H new ATOM 0 HA ASP A 64 -14.850 -0.154 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -13.463 1.077 -6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -13.279 -0.336 -7.238 1.00 0.00 H new ATOM 1093 N ASN A 65 -14.539 -2.959 -6.292 1.00 0.00 N ATOM 1094 CA ASN A 65 -15.265 -4.130 -6.793 1.00 0.00 C ATOM 1095 C ASN A 65 -15.791 -5.000 -5.663 1.00 0.00 C ATOM 1096 O ASN A 65 -16.227 -6.127 -5.898 1.00 0.00 O ATOM 1097 CB ASN A 65 -14.377 -4.969 -7.711 1.00 0.00 C ATOM 1098 CG ASN A 65 -14.425 -4.497 -9.146 1.00 0.00 C ATOM 1099 OD1 ASN A 65 -15.254 -4.955 -9.933 1.00 0.00 O ATOM 1100 ND2 ASN A 65 -13.539 -3.583 -9.497 1.00 0.00 N ATOM 0 H ASN A 65 -13.524 -3.050 -6.323 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.117 -3.753 -7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.348 -4.930 -7.352 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.692 -6.011 -7.663 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.523 -3.229 -10.453 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.870 -3.231 -8.812 1.00 0.00 H new ATOM 1107 N LYS A 66 -15.751 -4.471 -4.442 1.00 0.00 N ATOM 1108 CA LYS A 66 -16.287 -5.156 -3.264 1.00 0.00 C ATOM 1109 C LYS A 66 -15.537 -6.459 -2.985 1.00 0.00 C ATOM 1110 O LYS A 66 -16.019 -7.310 -2.241 1.00 0.00 O ATOM 1111 CB LYS A 66 -17.794 -5.455 -3.413 1.00 0.00 C ATOM 1112 CG LYS A 66 -18.683 -4.224 -3.575 1.00 0.00 C ATOM 1113 CD LYS A 66 -18.710 -3.727 -5.012 1.00 0.00 C ATOM 1114 CE LYS A 66 -19.597 -2.505 -5.172 1.00 0.00 C ATOM 1115 NZ LYS A 66 -19.566 -1.980 -6.562 1.00 0.00 N ATOM 0 H LYS A 66 -15.347 -3.557 -4.240 1.00 0.00 H new ATOM 0 HA LYS A 66 -16.147 -4.478 -2.422 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -17.937 -6.104 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.127 -6.012 -2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -19.697 -4.464 -3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.323 -3.428 -2.923 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.696 -3.484 -5.331 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.068 -4.523 -5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.622 -2.762 -4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.272 -1.727 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -20.184 -1.146 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -18.592 -1.712 -6.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -19.900 -2.714 -7.218 1.00 0.00 H new ATOM 1129 N GLN A 67 -14.351 -6.599 -3.567 1.00 0.00 N ATOM 1130 CA GLN A 67 -13.564 -7.815 -3.406 1.00 0.00 C ATOM 1131 C GLN A 67 -13.040 -7.940 -1.980 1.00 0.00 C ATOM 1132 O GLN A 67 -12.611 -6.954 -1.377 1.00 0.00 O ATOM 1133 CB GLN A 67 -12.397 -7.835 -4.397 1.00 0.00 C ATOM 1134 CG GLN A 67 -12.828 -8.028 -5.841 1.00 0.00 C ATOM 1135 CD GLN A 67 -13.550 -9.344 -6.059 1.00 0.00 C ATOM 1136 OE1 GLN A 67 -14.776 -9.420 -5.963 1.00 0.00 O ATOM 1137 NE2 GLN A 67 -12.798 -10.392 -6.340 1.00 0.00 N ATOM 0 H GLN A 67 -13.915 -5.887 -4.153 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.215 -8.665 -3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.844 -6.899 -4.314 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.711 -8.636 -4.121 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.480 -7.206 -6.135 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.951 -7.986 -6.487 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -11.786 -10.289 -6.411 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -13.229 -11.305 -6.486 1.00 0.00 H new ATOM 1146 N PRO A 68 -13.101 -9.152 -1.416 1.00 0.00 N ATOM 1147 CA PRO A 68 -12.573 -9.434 -0.079 1.00 0.00 C ATOM 1148 C PRO A 68 -11.077 -9.161 0.001 1.00 0.00 C ATOM 1149 O PRO A 68 -10.346 -9.347 -0.976 1.00 0.00 O ATOM 1150 CB PRO A 68 -12.852 -10.929 0.119 1.00 0.00 C ATOM 1151 CG PRO A 68 -13.931 -11.248 -0.855 1.00 0.00 C ATOM 1152 CD PRO A 68 -13.701 -10.346 -2.032 1.00 0.00 C ATOM 0 HA PRO A 68 -13.032 -8.805 0.684 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.960 -11.526 -0.070 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -13.167 -11.140 1.141 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.892 -12.296 -1.152 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -14.915 -11.077 -0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.035 -10.800 -2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -14.631 -10.110 -2.549 1.00 0.00 H new ATOM 1160 N LEU A 69 -10.624 -8.728 1.163 1.00 0.00 N ATOM 1161 CA LEU A 69 -9.228 -8.378 1.353 1.00 0.00 C ATOM 1162 C LEU A 69 -8.407 -9.624 1.647 1.00 0.00 C ATOM 1163 O LEU A 69 -8.779 -10.419 2.509 1.00 0.00 O ATOM 1164 CB LEU A 69 -9.081 -7.379 2.505 1.00 0.00 C ATOM 1165 CG LEU A 69 -9.839 -6.063 2.330 1.00 0.00 C ATOM 1166 CD1 LEU A 69 -9.639 -5.168 3.543 1.00 0.00 C ATOM 1167 CD2 LEU A 69 -9.388 -5.353 1.063 1.00 0.00 C ATOM 0 H LEU A 69 -11.205 -8.610 1.993 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.861 -7.918 0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.422 -7.856 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.022 -7.155 2.637 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.902 -6.287 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.186 -4.236 3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.010 -5.674 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.578 -4.952 3.664 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.938 -4.418 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.321 -5.141 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.582 -5.990 0.200 1.00 0.00 H new ATOM 1179 N PRO A 70 -7.299 -9.823 0.909 1.00 0.00 N ATOM 1180 CA PRO A 70 -6.366 -10.918 1.166 1.00 0.00 C ATOM 1181 C PRO A 70 -5.973 -10.985 2.638 1.00 0.00 C ATOM 1182 O PRO A 70 -5.280 -10.103 3.151 1.00 0.00 O ATOM 1183 CB PRO A 70 -5.149 -10.593 0.282 1.00 0.00 C ATOM 1184 CG PRO A 70 -5.397 -9.229 -0.276 1.00 0.00 C ATOM 1185 CD PRO A 70 -6.884 -9.017 -0.240 1.00 0.00 C ATOM 0 HA PRO A 70 -6.801 -11.891 0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.227 -10.615 0.864 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -5.040 -11.327 -0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.883 -8.470 0.313 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -5.019 -9.152 -1.295 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.140 -7.965 -0.110 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.362 -9.350 -1.161 1.00 0.00 H new ATOM 1193 N GLY A 71 -6.434 -12.037 3.306 1.00 0.00 N ATOM 1194 CA GLY A 71 -6.281 -12.156 4.744 1.00 0.00 C ATOM 1195 C GLY A 71 -4.839 -12.153 5.213 1.00 0.00 C ATOM 1196 O GLY A 71 -4.550 -11.712 6.324 1.00 0.00 O ATOM 0 H GLY A 71 -6.918 -12.821 2.868 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.810 -11.333 5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.758 -13.079 5.075 1.00 0.00 H new ATOM 1200 N ALA A 72 -3.934 -12.636 4.380 1.00 0.00 N ATOM 1201 CA ALA A 72 -2.535 -12.726 4.763 1.00 0.00 C ATOM 1202 C ALA A 72 -1.677 -11.778 3.938 1.00 0.00 C ATOM 1203 O ALA A 72 -0.490 -12.029 3.718 1.00 0.00 O ATOM 1204 CB ALA A 72 -2.042 -14.155 4.624 1.00 0.00 C ATOM 0 H ALA A 72 -4.140 -12.970 3.439 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.449 -12.427 5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.993 -14.208 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.630 -14.807 5.270 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.149 -14.478 3.588 1.00 0.00 H new ATOM 1210 N PHE A 73 -2.275 -10.687 3.486 1.00 0.00 N ATOM 1211 CA PHE A 73 -1.534 -9.675 2.751 1.00 0.00 C ATOM 1212 C PHE A 73 -0.624 -8.911 3.702 1.00 0.00 C ATOM 1213 O PHE A 73 -1.095 -8.233 4.612 1.00 0.00 O ATOM 1214 CB PHE A 73 -2.486 -8.710 2.044 1.00 0.00 C ATOM 1215 CG PHE A 73 -1.791 -7.699 1.172 1.00 0.00 C ATOM 1216 CD1 PHE A 73 -1.454 -8.009 -0.136 1.00 0.00 C ATOM 1217 CD2 PHE A 73 -1.479 -6.437 1.659 1.00 0.00 C ATOM 1218 CE1 PHE A 73 -0.819 -7.082 -0.940 1.00 0.00 C ATOM 1219 CE2 PHE A 73 -0.843 -5.508 0.858 1.00 0.00 C ATOM 1220 CZ PHE A 73 -0.514 -5.829 -0.442 1.00 0.00 C ATOM 0 H PHE A 73 -3.266 -10.480 3.614 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.928 -10.171 1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -3.183 -9.284 1.433 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -3.077 -8.184 2.793 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.690 -8.986 -0.531 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -1.736 -6.178 2.676 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.561 -7.336 -1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -0.604 -4.531 1.250 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.019 -5.103 -1.070 1.00 0.00 H new ATOM 1230 N ALA A 74 0.675 -9.052 3.501 1.00 0.00 N ATOM 1231 CA ALA A 74 1.651 -8.362 4.320 1.00 0.00 C ATOM 1232 C ALA A 74 2.883 -8.024 3.496 1.00 0.00 C ATOM 1233 O ALA A 74 3.658 -8.910 3.128 1.00 0.00 O ATOM 1234 CB ALA A 74 2.030 -9.205 5.531 1.00 0.00 C ATOM 0 H ALA A 74 1.078 -9.642 2.773 1.00 0.00 H new ATOM 0 HA ALA A 74 1.207 -7.433 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.764 -8.669 6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.141 -9.400 6.131 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.456 -10.151 5.197 1.00 0.00 H new ATOM 1240 N VAL A 75 3.049 -6.748 3.187 1.00 0.00 N ATOM 1241 CA VAL A 75 4.180 -6.305 2.382 1.00 0.00 C ATOM 1242 C VAL A 75 5.270 -5.694 3.251 1.00 0.00 C ATOM 1243 O VAL A 75 6.416 -5.551 2.812 1.00 0.00 O ATOM 1244 CB VAL A 75 3.764 -5.293 1.295 1.00 0.00 C ATOM 1245 CG1 VAL A 75 2.849 -5.955 0.280 1.00 0.00 C ATOM 1246 CG2 VAL A 75 3.094 -4.069 1.906 1.00 0.00 C ATOM 0 H VAL A 75 2.418 -6.002 3.479 1.00 0.00 H new ATOM 0 HA VAL A 75 4.569 -7.195 1.888 1.00 0.00 H new ATOM 0 HB VAL A 75 4.666 -4.956 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.564 -5.229 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.371 -6.788 -0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.955 -6.324 0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.813 -3.375 1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.202 -4.377 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.787 -3.578 2.590 1.00 0.00 H new ATOM 1256 N ALA A 76 4.917 -5.344 4.481 1.00 0.00 N ATOM 1257 CA ALA A 76 5.882 -4.790 5.424 1.00 0.00 C ATOM 1258 C ALA A 76 7.080 -5.730 5.632 1.00 0.00 C ATOM 1259 O ALA A 76 8.224 -5.300 5.490 1.00 0.00 O ATOM 1260 CB ALA A 76 5.214 -4.459 6.752 1.00 0.00 C ATOM 0 H ALA A 76 3.970 -5.434 4.850 1.00 0.00 H new ATOM 0 HA ALA A 76 6.265 -3.865 4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.954 -4.047 7.439 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.423 -3.727 6.589 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.786 -5.366 7.180 1.00 0.00 H new ATOM 1266 N PRO A 77 6.853 -7.029 5.957 1.00 0.00 N ATOM 1267 CA PRO A 77 7.949 -7.994 6.147 1.00 0.00 C ATOM 1268 C PRO A 77 8.811 -8.163 4.897 1.00 0.00 C ATOM 1269 O PRO A 77 9.969 -8.572 4.980 1.00 0.00 O ATOM 1270 CB PRO A 77 7.232 -9.308 6.483 1.00 0.00 C ATOM 1271 CG PRO A 77 5.830 -9.119 6.013 1.00 0.00 C ATOM 1272 CD PRO A 77 5.539 -7.659 6.189 1.00 0.00 C ATOM 0 HA PRO A 77 8.639 -7.662 6.923 1.00 0.00 H new ATOM 0 HB2 PRO A 77 7.704 -10.153 5.983 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.265 -9.512 7.553 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.723 -9.417 4.970 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.137 -9.729 6.592 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.792 -7.308 5.478 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.157 -7.441 7.186 1.00 0.00 H new ATOM 1280 N TYR A 78 8.249 -7.841 3.739 1.00 0.00 N ATOM 1281 CA TYR A 78 8.989 -7.936 2.490 1.00 0.00 C ATOM 1282 C TYR A 78 9.918 -6.735 2.338 1.00 0.00 C ATOM 1283 O TYR A 78 11.122 -6.889 2.121 1.00 0.00 O ATOM 1284 CB TYR A 78 8.032 -8.016 1.296 1.00 0.00 C ATOM 1285 CG TYR A 78 8.743 -8.143 -0.036 1.00 0.00 C ATOM 1286 CD1 TYR A 78 9.171 -9.380 -0.499 1.00 0.00 C ATOM 1287 CD2 TYR A 78 8.999 -7.023 -0.823 1.00 0.00 C ATOM 1288 CE1 TYR A 78 9.835 -9.500 -1.704 1.00 0.00 C ATOM 1289 CE2 TYR A 78 9.660 -7.138 -2.032 1.00 0.00 C ATOM 1290 CZ TYR A 78 10.076 -8.378 -2.465 1.00 0.00 C ATOM 1291 OH TYR A 78 10.743 -8.497 -3.662 1.00 0.00 O ATOM 0 H TYR A 78 7.288 -7.514 3.640 1.00 0.00 H new ATOM 0 HA TYR A 78 9.586 -8.847 2.513 1.00 0.00 H new ATOM 0 HB2 TYR A 78 7.368 -8.870 1.428 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.405 -7.124 1.282 1.00 0.00 H new ATOM 0 HD1 TYR A 78 8.982 -10.263 0.093 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.676 -6.050 -0.484 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.164 -10.470 -2.048 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.849 -6.261 -2.633 1.00 0.00 H new ATOM 0 HH TYR A 78 10.972 -9.437 -3.817 1.00 0.00 H new ATOM 1301 N TYR A 79 9.356 -5.539 2.476 1.00 0.00 N ATOM 1302 CA TYR A 79 10.121 -4.308 2.306 1.00 0.00 C ATOM 1303 C TYR A 79 11.087 -4.087 3.463 1.00 0.00 C ATOM 1304 O TYR A 79 11.991 -3.260 3.374 1.00 0.00 O ATOM 1305 CB TYR A 79 9.189 -3.107 2.147 1.00 0.00 C ATOM 1306 CG TYR A 79 8.564 -3.013 0.772 1.00 0.00 C ATOM 1307 CD1 TYR A 79 9.236 -2.378 -0.265 1.00 0.00 C ATOM 1308 CD2 TYR A 79 7.315 -3.560 0.508 1.00 0.00 C ATOM 1309 CE1 TYR A 79 8.678 -2.287 -1.524 1.00 0.00 C ATOM 1310 CE2 TYR A 79 6.751 -3.475 -0.752 1.00 0.00 C ATOM 1311 CZ TYR A 79 7.439 -2.838 -1.764 1.00 0.00 C ATOM 1312 OH TYR A 79 6.885 -2.750 -3.019 1.00 0.00 O ATOM 0 H TYR A 79 8.373 -5.395 2.705 1.00 0.00 H new ATOM 0 HA TYR A 79 10.711 -4.411 1.395 1.00 0.00 H new ATOM 0 HB2 TYR A 79 8.398 -3.168 2.895 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.748 -2.193 2.348 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.210 -1.949 -0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.776 -4.060 1.299 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.211 -1.785 -2.318 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.779 -3.904 -0.942 1.00 0.00 H new ATOM 0 HH TYR A 79 7.582 -2.522 -3.669 1.00 0.00 H new ATOM 1322 N GLU A 80 10.899 -4.840 4.540 1.00 0.00 N ATOM 1323 CA GLU A 80 11.839 -4.830 5.654 1.00 0.00 C ATOM 1324 C GLU A 80 13.206 -5.339 5.191 1.00 0.00 C ATOM 1325 O GLU A 80 14.241 -4.985 5.755 1.00 0.00 O ATOM 1326 CB GLU A 80 11.316 -5.700 6.799 1.00 0.00 C ATOM 1327 CG GLU A 80 12.202 -5.674 8.030 1.00 0.00 C ATOM 1328 CD GLU A 80 11.784 -6.685 9.072 1.00 0.00 C ATOM 1329 OE1 GLU A 80 12.055 -7.888 8.879 1.00 0.00 O ATOM 1330 OE2 GLU A 80 11.193 -6.282 10.094 1.00 0.00 O ATOM 0 H GLU A 80 10.103 -5.466 4.666 1.00 0.00 H new ATOM 0 HA GLU A 80 11.944 -3.806 6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.316 -5.364 7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.222 -6.728 6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 80 13.233 -5.868 7.734 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.179 -4.676 8.468 1.00 0.00 H new ATOM 1337 N MET A 81 13.197 -6.169 4.154 1.00 0.00 N ATOM 1338 CA MET A 81 14.430 -6.702 3.593 1.00 0.00 C ATOM 1339 C MET A 81 14.766 -5.994 2.287 1.00 0.00 C ATOM 1340 O MET A 81 15.933 -5.736 1.992 1.00 0.00 O ATOM 1341 CB MET A 81 14.297 -8.204 3.335 1.00 0.00 C ATOM 1342 CG MET A 81 13.893 -9.010 4.557 1.00 0.00 C ATOM 1343 SD MET A 81 13.671 -10.758 4.173 1.00 0.00 S ATOM 1344 CE MET A 81 12.420 -10.657 2.893 1.00 0.00 C ATOM 0 H MET A 81 12.348 -6.487 3.686 1.00 0.00 H new ATOM 0 HA MET A 81 15.231 -6.533 4.313 1.00 0.00 H new ATOM 0 HB2 MET A 81 13.559 -8.363 2.548 1.00 0.00 H new ATOM 0 HB3 MET A 81 15.248 -8.583 2.961 1.00 0.00 H new ATOM 0 HG2 MET A 81 14.654 -8.903 5.330 1.00 0.00 H new ATOM 0 HG3 MET A 81 12.966 -8.608 4.965 1.00 0.00 H new ATOM 0 HE1 MET A 81 11.738 -11.502 2.984 1.00 0.00 H new ATOM 0 HE2 MET A 81 11.862 -9.727 3.002 1.00 0.00 H new ATOM 0 HE3 MET A 81 12.898 -10.681 1.914 1.00 0.00 H new ATOM 1354 N ALA A 82 13.731 -5.688 1.508 1.00 0.00 N ATOM 1355 CA ALA A 82 13.907 -5.046 0.209 1.00 0.00 C ATOM 1356 C ALA A 82 14.455 -3.629 0.355 1.00 0.00 C ATOM 1357 O ALA A 82 15.207 -3.152 -0.493 1.00 0.00 O ATOM 1358 CB ALA A 82 12.592 -5.027 -0.559 1.00 0.00 C ATOM 0 H ALA A 82 12.759 -5.875 1.755 1.00 0.00 H new ATOM 0 HA ALA A 82 14.636 -5.630 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.742 -4.545 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.246 -6.049 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.846 -4.474 0.011 1.00 0.00 H new ATOM 1364 N LEU A 83 14.067 -2.960 1.430 1.00 0.00 N ATOM 1365 CA LEU A 83 14.550 -1.620 1.701 1.00 0.00 C ATOM 1366 C LEU A 83 15.633 -1.678 2.770 1.00 0.00 C ATOM 1367 O LEU A 83 15.378 -2.078 3.908 1.00 0.00 O ATOM 1368 CB LEU A 83 13.395 -0.713 2.137 1.00 0.00 C ATOM 1369 CG LEU A 83 13.746 0.770 2.290 1.00 0.00 C ATOM 1370 CD1 LEU A 83 14.342 1.320 1.001 1.00 0.00 C ATOM 1371 CD2 LEU A 83 12.510 1.563 2.680 1.00 0.00 C ATOM 0 H LEU A 83 13.419 -3.326 2.128 1.00 0.00 H new ATOM 0 HA LEU A 83 14.978 -1.199 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.589 -0.805 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 83 13.009 -1.078 3.089 1.00 0.00 H new ATOM 0 HG LEU A 83 14.491 0.867 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.584 2.375 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 83 15.249 0.768 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 83 13.620 1.212 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 83 12.772 2.616 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 83 11.749 1.454 1.907 1.00 0.00 H new ATOM 0 HD23 LEU A 83 12.121 1.189 3.627 1.00 0.00 H new ATOM 1383 N ALA A 84 16.840 -1.290 2.379 1.00 0.00 N ATOM 1384 CA ALA A 84 18.020 -1.405 3.231 1.00 0.00 C ATOM 1385 C ALA A 84 17.857 -0.676 4.564 1.00 0.00 C ATOM 1386 O ALA A 84 17.195 0.363 4.651 1.00 0.00 O ATOM 1387 CB ALA A 84 19.245 -0.886 2.495 1.00 0.00 C ATOM 0 H ALA A 84 17.030 -0.886 1.462 1.00 0.00 H new ATOM 0 HA ALA A 84 18.149 -2.463 3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 84 20.121 -0.975 3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 84 19.399 -1.471 1.588 1.00 0.00 H new ATOM 0 HB3 ALA A 84 19.094 0.161 2.231 1.00 0.00 H new ATOM 1393 N THR A 85 18.493 -1.226 5.593 1.00 0.00 N ATOM 1394 CA THR A 85 18.446 -0.676 6.938 1.00 0.00 C ATOM 1395 C THR A 85 19.229 0.630 7.038 1.00 0.00 C ATOM 1396 O THR A 85 19.132 1.355 8.028 1.00 0.00 O ATOM 1397 CB THR A 85 19.043 -1.681 7.935 1.00 0.00 C ATOM 1398 OG1 THR A 85 20.318 -2.141 7.455 1.00 0.00 O ATOM 1399 CG2 THR A 85 18.115 -2.867 8.148 1.00 0.00 C ATOM 0 H THR A 85 19.058 -2.071 5.514 1.00 0.00 H new ATOM 0 HA THR A 85 17.400 -0.478 7.174 1.00 0.00 H new ATOM 0 HB THR A 85 19.170 -1.175 8.892 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.697 -2.780 8.094 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.567 -3.559 8.859 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.160 -2.516 8.540 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.952 -3.377 7.198 1.00 0.00 H new ATOM 1407 N ASP A 86 20.005 0.914 6.001 1.00 0.00 N ATOM 1408 CA ASP A 86 20.905 2.059 5.973 1.00 0.00 C ATOM 1409 C ASP A 86 20.151 3.383 5.955 1.00 0.00 C ATOM 1410 O ASP A 86 20.745 4.449 6.127 1.00 0.00 O ATOM 1411 CB ASP A 86 21.812 1.960 4.751 1.00 0.00 C ATOM 1412 CG ASP A 86 22.616 0.680 4.747 1.00 0.00 C ATOM 1413 OD1 ASP A 86 23.603 0.591 5.509 1.00 0.00 O ATOM 1414 OD2 ASP A 86 22.252 -0.251 4.001 1.00 0.00 O ATOM 0 H ASP A 86 20.028 0.353 5.150 1.00 0.00 H new ATOM 0 HA ASP A 86 21.500 2.038 6.886 1.00 0.00 H new ATOM 0 HB2 ASP A 86 21.208 2.012 3.845 1.00 0.00 H new ATOM 0 HB3 ASP A 86 22.489 2.814 4.732 1.00 0.00 H new ATOM 1419 N HIS A 87 18.848 3.316 5.738 1.00 0.00 N ATOM 1420 CA HIS A 87 18.012 4.504 5.775 1.00 0.00 C ATOM 1421 C HIS A 87 16.974 4.358 6.885 1.00 0.00 C ATOM 1422 O HIS A 87 15.878 3.855 6.646 1.00 0.00 O ATOM 1423 CB HIS A 87 17.324 4.718 4.418 1.00 0.00 C ATOM 1424 CG HIS A 87 16.823 6.116 4.202 1.00 0.00 C ATOM 1425 ND1 HIS A 87 17.535 7.063 3.508 1.00 0.00 N ATOM 1426 CD2 HIS A 87 15.678 6.724 4.590 1.00 0.00 C ATOM 1427 CE1 HIS A 87 16.858 8.192 3.479 1.00 0.00 C ATOM 1428 NE2 HIS A 87 15.722 8.019 4.129 1.00 0.00 N ATOM 0 H HIS A 87 18.346 2.452 5.534 1.00 0.00 H new ATOM 0 HA HIS A 87 18.634 5.375 5.980 1.00 0.00 H new ATOM 0 HB2 HIS A 87 18.026 4.468 3.623 1.00 0.00 H new ATOM 0 HB3 HIS A 87 16.486 4.026 4.334 1.00 0.00 H new ATOM 0 HD2 HIS A 87 14.877 6.275 5.158 1.00 0.00 H new ATOM 0 HE1 HIS A 87 17.179 9.107 3.003 1.00 0.00 H new ATOM 0 HE2 HIS A 87 15.000 8.726 4.266 1.00 0.00 H new ATOM 1437 N PRO A 88 17.320 4.778 8.119 1.00 0.00 N ATOM 1438 CA PRO A 88 16.464 4.610 9.307 1.00 0.00 C ATOM 1439 C PRO A 88 15.075 5.225 9.145 1.00 0.00 C ATOM 1440 O PRO A 88 14.121 4.807 9.802 1.00 0.00 O ATOM 1441 CB PRO A 88 17.234 5.326 10.423 1.00 0.00 C ATOM 1442 CG PRO A 88 18.245 6.173 9.728 1.00 0.00 C ATOM 1443 CD PRO A 88 18.585 5.444 8.464 1.00 0.00 C ATOM 0 HA PRO A 88 16.278 3.554 9.505 1.00 0.00 H new ATOM 0 HB2 PRO A 88 16.566 5.933 11.034 1.00 0.00 H new ATOM 0 HB3 PRO A 88 17.714 4.610 11.091 1.00 0.00 H new ATOM 0 HG2 PRO A 88 17.844 7.164 9.513 1.00 0.00 H new ATOM 0 HG3 PRO A 88 19.130 6.315 10.348 1.00 0.00 H new ATOM 0 HD2 PRO A 88 18.910 6.127 7.679 1.00 0.00 H new ATOM 0 HD3 PRO A 88 19.391 4.726 8.616 1.00 0.00 H new ATOM 1451 N GLN A 89 14.959 6.207 8.254 1.00 0.00 N ATOM 1452 CA GLN A 89 13.675 6.851 7.987 1.00 0.00 C ATOM 1453 C GLN A 89 12.719 5.907 7.258 1.00 0.00 C ATOM 1454 O GLN A 89 11.582 6.275 6.961 1.00 0.00 O ATOM 1455 CB GLN A 89 13.870 8.117 7.157 1.00 0.00 C ATOM 1456 CG GLN A 89 14.737 9.161 7.830 1.00 0.00 C ATOM 1457 CD GLN A 89 14.904 10.400 6.980 1.00 0.00 C ATOM 1458 OE1 GLN A 89 14.872 10.333 5.747 1.00 0.00 O ATOM 1459 NE2 GLN A 89 15.082 11.535 7.630 1.00 0.00 N ATOM 0 H GLN A 89 15.737 6.574 7.706 1.00 0.00 H new ATOM 0 HA GLN A 89 13.237 7.114 8.950 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.318 7.848 6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.894 8.553 6.941 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.294 9.436 8.787 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.717 8.734 8.043 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.101 11.541 8.650 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.200 12.406 7.112 1.00 0.00 H new ATOM 1468 N ARG A 90 13.182 4.693 6.969 1.00 0.00 N ATOM 1469 CA ARG A 90 12.342 3.682 6.340 1.00 0.00 C ATOM 1470 C ARG A 90 11.190 3.309 7.267 1.00 0.00 C ATOM 1471 O ARG A 90 10.169 2.788 6.822 1.00 0.00 O ATOM 1472 CB ARG A 90 13.154 2.428 5.994 1.00 0.00 C ATOM 1473 CG ARG A 90 13.561 1.603 7.203 1.00 0.00 C ATOM 1474 CD ARG A 90 14.228 0.301 6.792 1.00 0.00 C ATOM 1475 NE ARG A 90 14.385 -0.609 7.924 1.00 0.00 N ATOM 1476 CZ ARG A 90 14.601 -1.918 7.799 1.00 0.00 C ATOM 1477 NH1 ARG A 90 14.731 -2.461 6.595 1.00 0.00 N ATOM 1478 NH2 ARG A 90 14.704 -2.682 8.881 1.00 0.00 N ATOM 0 H ARG A 90 14.136 4.387 7.161 1.00 0.00 H new ATOM 0 HA ARG A 90 11.944 4.101 5.416 1.00 0.00 H new ATOM 0 HB2 ARG A 90 12.568 1.802 5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.051 2.727 5.452 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.243 2.181 7.826 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.682 1.386 7.809 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.634 -0.183 6.016 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.205 0.514 6.359 1.00 0.00 H new ATOM 0 HE ARG A 90 14.326 -0.220 8.865 1.00 0.00 H new ATOM 0 HH11 ARG A 90 14.666 -1.876 5.762 1.00 0.00 H new ATOM 0 HH12 ARG A 90 14.896 -3.463 6.503 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.618 -2.267 9.809 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.869 -3.684 8.784 1.00 0.00 H new ATOM 1492 N ALA A 91 11.370 3.594 8.559 1.00 0.00 N ATOM 1493 CA ALA A 91 10.358 3.312 9.570 1.00 0.00 C ATOM 1494 C ALA A 91 9.040 3.999 9.233 1.00 0.00 C ATOM 1495 O ALA A 91 7.971 3.458 9.493 1.00 0.00 O ATOM 1496 CB ALA A 91 10.848 3.750 10.943 1.00 0.00 C ATOM 0 H ALA A 91 12.218 4.024 8.928 1.00 0.00 H new ATOM 0 HA ALA A 91 10.183 2.236 9.584 1.00 0.00 H new ATOM 0 HB1 ALA A 91 10.083 3.534 11.688 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.761 3.210 11.193 1.00 0.00 H new ATOM 0 HB3 ALA A 91 11.052 4.821 10.932 1.00 0.00 H new ATOM 1502 N LEU A 92 9.125 5.186 8.638 1.00 0.00 N ATOM 1503 CA LEU A 92 7.932 5.927 8.240 1.00 0.00 C ATOM 1504 C LEU A 92 7.140 5.135 7.205 1.00 0.00 C ATOM 1505 O LEU A 92 5.918 4.999 7.303 1.00 0.00 O ATOM 1506 CB LEU A 92 8.317 7.295 7.667 1.00 0.00 C ATOM 1507 CG LEU A 92 9.035 8.235 8.639 1.00 0.00 C ATOM 1508 CD1 LEU A 92 9.424 9.529 7.939 1.00 0.00 C ATOM 1509 CD2 LEU A 92 8.160 8.529 9.850 1.00 0.00 C ATOM 0 H LEU A 92 10.005 5.654 8.421 1.00 0.00 H new ATOM 0 HA LEU A 92 7.311 6.079 9.123 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.957 7.139 6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.413 7.789 7.312 1.00 0.00 H new ATOM 0 HG LEU A 92 9.943 7.740 8.984 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.933 10.185 8.645 1.00 0.00 H new ATOM 0 HD12 LEU A 92 10.090 9.306 7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 92 8.528 10.024 7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.690 9.199 10.528 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.234 9.001 9.523 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.930 7.598 10.367 1.00 0.00 H new ATOM 1521 N ILE A 93 7.857 4.594 6.229 1.00 0.00 N ATOM 1522 CA ILE A 93 7.245 3.803 5.175 1.00 0.00 C ATOM 1523 C ILE A 93 6.736 2.484 5.740 1.00 0.00 C ATOM 1524 O ILE A 93 5.614 2.068 5.459 1.00 0.00 O ATOM 1525 CB ILE A 93 8.240 3.516 4.028 1.00 0.00 C ATOM 1526 CG1 ILE A 93 8.868 4.822 3.530 1.00 0.00 C ATOM 1527 CG2 ILE A 93 7.537 2.792 2.885 1.00 0.00 C ATOM 1528 CD1 ILE A 93 9.919 4.623 2.456 1.00 0.00 C ATOM 0 H ILE A 93 8.869 4.691 6.147 1.00 0.00 H new ATOM 0 HA ILE A 93 6.413 4.381 4.772 1.00 0.00 H new ATOM 0 HB ILE A 93 9.034 2.873 4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.081 5.468 3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.319 5.343 4.375 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.251 2.597 2.084 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.131 1.848 3.248 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.726 3.413 2.505 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.318 5.591 2.154 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.726 4.004 2.847 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.469 4.130 1.594 1.00 0.00 H new ATOM 1540 N LEU A 94 7.564 1.843 6.561 1.00 0.00 N ATOM 1541 CA LEU A 94 7.204 0.571 7.174 1.00 0.00 C ATOM 1542 C LEU A 94 5.964 0.716 8.049 1.00 0.00 C ATOM 1543 O LEU A 94 5.103 -0.155 8.052 1.00 0.00 O ATOM 1544 CB LEU A 94 8.370 0.014 7.998 1.00 0.00 C ATOM 1545 CG LEU A 94 9.611 -0.378 7.191 1.00 0.00 C ATOM 1546 CD1 LEU A 94 10.695 -0.913 8.113 1.00 0.00 C ATOM 1547 CD2 LEU A 94 9.256 -1.411 6.132 1.00 0.00 C ATOM 0 H LEU A 94 8.490 2.186 6.816 1.00 0.00 H new ATOM 0 HA LEU A 94 6.978 -0.131 6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.659 0.759 8.739 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.021 -0.861 8.546 1.00 0.00 H new ATOM 0 HG LEU A 94 9.991 0.512 6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.570 -1.187 7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.970 -0.145 8.836 1.00 0.00 H new ATOM 0 HD13 LEU A 94 10.323 -1.791 8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.151 -1.677 5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 94 8.852 -2.302 6.613 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.511 -0.995 5.454 1.00 0.00 H new ATOM 1559 N ALA A 95 5.867 1.824 8.773 1.00 0.00 N ATOM 1560 CA ALA A 95 4.710 2.081 9.620 1.00 0.00 C ATOM 1561 C ALA A 95 3.437 2.169 8.790 1.00 0.00 C ATOM 1562 O ALA A 95 2.390 1.659 9.189 1.00 0.00 O ATOM 1563 CB ALA A 95 4.909 3.357 10.425 1.00 0.00 C ATOM 0 H ALA A 95 6.575 2.558 8.790 1.00 0.00 H new ATOM 0 HA ALA A 95 4.607 1.246 10.313 1.00 0.00 H new ATOM 0 HB1 ALA A 95 4.034 3.532 11.051 1.00 0.00 H new ATOM 0 HB2 ALA A 95 5.792 3.255 11.055 1.00 0.00 H new ATOM 0 HB3 ALA A 95 5.043 4.199 9.746 1.00 0.00 H new ATOM 1569 N GLU A 96 3.530 2.815 7.634 1.00 0.00 N ATOM 1570 CA GLU A 96 2.404 2.895 6.711 1.00 0.00 C ATOM 1571 C GLU A 96 2.094 1.520 6.122 1.00 0.00 C ATOM 1572 O GLU A 96 0.935 1.175 5.904 1.00 0.00 O ATOM 1573 CB GLU A 96 2.700 3.900 5.595 1.00 0.00 C ATOM 1574 CG GLU A 96 2.617 5.352 6.044 1.00 0.00 C ATOM 1575 CD GLU A 96 1.197 5.808 6.315 1.00 0.00 C ATOM 1576 OE1 GLU A 96 0.250 5.094 5.940 1.00 0.00 O ATOM 1577 OE2 GLU A 96 1.021 6.891 6.913 1.00 0.00 O ATOM 0 H GLU A 96 4.373 3.291 7.313 1.00 0.00 H new ATOM 0 HA GLU A 96 1.529 3.237 7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.697 3.707 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.996 3.740 4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.213 5.482 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.057 5.989 5.277 1.00 0.00 H new ATOM 1584 N LEU A 97 3.137 0.730 5.888 1.00 0.00 N ATOM 1585 CA LEU A 97 2.974 -0.619 5.359 1.00 0.00 C ATOM 1586 C LEU A 97 2.302 -1.528 6.382 1.00 0.00 C ATOM 1587 O LEU A 97 1.314 -2.186 6.076 1.00 0.00 O ATOM 1588 CB LEU A 97 4.326 -1.203 4.944 1.00 0.00 C ATOM 1589 CG LEU A 97 5.033 -0.463 3.807 1.00 0.00 C ATOM 1590 CD1 LEU A 97 6.371 -1.115 3.497 1.00 0.00 C ATOM 1591 CD2 LEU A 97 4.155 -0.429 2.565 1.00 0.00 C ATOM 0 H LEU A 97 4.106 1.002 6.057 1.00 0.00 H new ATOM 0 HA LEU A 97 2.334 -0.558 4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.983 -1.212 5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.179 -2.241 4.645 1.00 0.00 H new ATOM 0 HG LEU A 97 5.216 0.563 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 97 6.860 -0.575 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.004 -1.087 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 97 6.210 -2.151 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.674 0.101 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.940 -1.448 2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 97 3.221 0.084 2.794 1.00 0.00 H new ATOM 1603 N GLU A 98 2.832 -1.540 7.605 1.00 0.00 N ATOM 1604 CA GLU A 98 2.271 -2.354 8.682 1.00 0.00 C ATOM 1605 C GLU A 98 0.837 -1.933 8.984 1.00 0.00 C ATOM 1606 O GLU A 98 0.029 -2.731 9.453 1.00 0.00 O ATOM 1607 CB GLU A 98 3.118 -2.231 9.955 1.00 0.00 C ATOM 1608 CG GLU A 98 4.565 -2.665 9.777 1.00 0.00 C ATOM 1609 CD GLU A 98 5.356 -2.599 11.065 1.00 0.00 C ATOM 1610 OE1 GLU A 98 5.697 -1.483 11.505 1.00 0.00 O ATOM 1611 OE2 GLU A 98 5.645 -3.664 11.646 1.00 0.00 O ATOM 0 H GLU A 98 3.650 -0.994 7.874 1.00 0.00 H new ATOM 0 HA GLU A 98 2.276 -3.392 8.351 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.099 -1.195 10.294 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.663 -2.832 10.742 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.590 -3.684 9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.041 -2.030 9.030 1.00 0.00 H new ATOM 1618 N LYS A 99 0.536 -0.671 8.716 1.00 0.00 N ATOM 1619 CA LYS A 99 -0.798 -0.131 8.919 1.00 0.00 C ATOM 1620 C LYS A 99 -1.728 -0.606 7.801 1.00 0.00 C ATOM 1621 O LYS A 99 -2.888 -0.942 8.043 1.00 0.00 O ATOM 1622 CB LYS A 99 -0.715 1.394 8.955 1.00 0.00 C ATOM 1623 CG LYS A 99 -1.951 2.089 9.499 1.00 0.00 C ATOM 1624 CD LYS A 99 -1.683 3.573 9.706 1.00 0.00 C ATOM 1625 CE LYS A 99 -1.384 4.272 8.393 1.00 0.00 C ATOM 1626 NZ LYS A 99 -0.826 5.631 8.605 1.00 0.00 N ATOM 0 H LYS A 99 1.208 0.005 8.353 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.205 -0.485 9.866 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.143 1.682 9.562 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.527 1.757 7.945 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -2.783 1.957 8.807 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.246 1.632 10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.549 4.038 10.178 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.842 3.700 10.387 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -0.677 3.675 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.298 4.343 7.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -0.794 6.138 7.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.429 6.153 9.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 0.136 5.555 8.993 1.00 0.00 H new ATOM 1640 N LEU A 100 -1.198 -0.643 6.580 1.00 0.00 N ATOM 1641 CA LEU A 100 -1.923 -1.172 5.427 1.00 0.00 C ATOM 1642 C LEU A 100 -2.195 -2.662 5.613 1.00 0.00 C ATOM 1643 O LEU A 100 -3.337 -3.121 5.495 1.00 0.00 O ATOM 1644 CB LEU A 100 -1.109 -0.940 4.145 1.00 0.00 C ATOM 1645 CG LEU A 100 -1.698 -1.540 2.864 1.00 0.00 C ATOM 1646 CD1 LEU A 100 -3.000 -0.850 2.489 1.00 0.00 C ATOM 1647 CD2 LEU A 100 -0.694 -1.443 1.728 1.00 0.00 C ATOM 0 H LEU A 100 -0.259 -0.309 6.363 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.877 -0.651 5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.992 0.134 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.111 -1.352 4.291 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.917 -2.592 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.398 -1.294 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.722 -0.972 3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.815 0.212 2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.125 -1.873 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.446 -0.397 1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.211 -1.990 1.994 1.00 0.00 H new ATOM 1659 N ASP A 101 -1.139 -3.405 5.923 1.00 0.00 N ATOM 1660 CA ASP A 101 -1.243 -4.841 6.166 1.00 0.00 C ATOM 1661 C ASP A 101 -2.225 -5.118 7.302 1.00 0.00 C ATOM 1662 O ASP A 101 -2.949 -6.115 7.288 1.00 0.00 O ATOM 1663 CB ASP A 101 0.131 -5.437 6.510 1.00 0.00 C ATOM 1664 CG ASP A 101 1.133 -5.349 5.369 1.00 0.00 C ATOM 1665 OD1 ASP A 101 0.715 -5.318 4.195 1.00 0.00 O ATOM 1666 OD2 ASP A 101 2.354 -5.330 5.646 1.00 0.00 O ATOM 0 H ASP A 101 -0.193 -3.034 6.013 1.00 0.00 H new ATOM 0 HA ASP A 101 -1.610 -5.312 5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.536 -4.919 7.379 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.005 -6.482 6.792 1.00 0.00 H new ATOM 1671 N ALA A 102 -2.265 -4.210 8.272 1.00 0.00 N ATOM 1672 CA ALA A 102 -3.166 -4.334 9.412 1.00 0.00 C ATOM 1673 C ALA A 102 -4.625 -4.208 8.989 1.00 0.00 C ATOM 1674 O ALA A 102 -5.518 -4.679 9.688 1.00 0.00 O ATOM 1675 CB ALA A 102 -2.842 -3.291 10.470 1.00 0.00 C ATOM 0 H ALA A 102 -1.680 -3.375 8.291 1.00 0.00 H new ATOM 0 HA ALA A 102 -3.019 -5.328 9.835 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.526 -3.402 11.311 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -1.817 -3.429 10.815 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -2.950 -2.294 10.043 1.00 0.00 H new ATOM 1681 N LEU A 103 -4.865 -3.563 7.853 1.00 0.00 N ATOM 1682 CA LEU A 103 -6.217 -3.420 7.333 1.00 0.00 C ATOM 1683 C LEU A 103 -6.644 -4.692 6.615 1.00 0.00 C ATOM 1684 O LEU A 103 -7.801 -5.106 6.693 1.00 0.00 O ATOM 1685 CB LEU A 103 -6.312 -2.221 6.390 1.00 0.00 C ATOM 1686 CG LEU A 103 -6.049 -0.864 7.045 1.00 0.00 C ATOM 1687 CD1 LEU A 103 -6.121 0.248 6.014 1.00 0.00 C ATOM 1688 CD2 LEU A 103 -7.042 -0.611 8.171 1.00 0.00 C ATOM 0 H LEU A 103 -4.142 -3.132 7.277 1.00 0.00 H new ATOM 0 HA LEU A 103 -6.890 -3.248 8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.600 -2.360 5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -7.306 -2.206 5.944 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.045 -0.877 7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.931 1.206 6.498 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.371 0.077 5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.112 0.260 5.561 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.839 0.359 8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.056 -0.619 7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.944 -1.392 8.925 1.00 0.00 H new ATOM 1700 N PHE A 104 -5.702 -5.321 5.923 1.00 0.00 N ATOM 1701 CA PHE A 104 -5.968 -6.595 5.259 1.00 0.00 C ATOM 1702 C PHE A 104 -6.131 -7.709 6.284 1.00 0.00 C ATOM 1703 O PHE A 104 -6.883 -8.662 6.075 1.00 0.00 O ATOM 1704 CB PHE A 104 -4.851 -6.932 4.273 1.00 0.00 C ATOM 1705 CG PHE A 104 -4.859 -6.056 3.052 1.00 0.00 C ATOM 1706 CD1 PHE A 104 -4.184 -4.846 3.041 1.00 0.00 C ATOM 1707 CD2 PHE A 104 -5.549 -6.442 1.917 1.00 0.00 C ATOM 1708 CE1 PHE A 104 -4.199 -4.039 1.921 1.00 0.00 C ATOM 1709 CE2 PHE A 104 -5.568 -5.638 0.793 1.00 0.00 C ATOM 1710 CZ PHE A 104 -4.892 -4.436 0.795 1.00 0.00 C ATOM 0 H PHE A 104 -4.750 -4.973 5.806 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.900 -6.502 4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.889 -6.835 4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.947 -7.974 3.966 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.640 -4.530 3.919 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.079 -7.383 1.909 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.669 -3.098 1.926 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.112 -5.951 -0.086 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.905 -3.807 -0.083 1.00 0.00 H new ATOM 1720 N ALA A 105 -5.432 -7.577 7.401 1.00 0.00 N ATOM 1721 CA ALA A 105 -5.567 -8.513 8.507 1.00 0.00 C ATOM 1722 C ALA A 105 -6.669 -8.061 9.463 1.00 0.00 C ATOM 1723 O ALA A 105 -6.806 -8.586 10.570 1.00 0.00 O ATOM 1724 CB ALA A 105 -4.244 -8.650 9.245 1.00 0.00 C ATOM 0 H ALA A 105 -4.762 -6.826 7.566 1.00 0.00 H new ATOM 0 HA ALA A 105 -5.844 -9.487 8.104 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -4.359 -9.353 10.070 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -3.481 -9.017 8.559 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -3.943 -7.678 9.636 1.00 0.00 H new ATOM 1730 N ASP A 106 -7.457 -7.084 9.025 1.00 0.00 N ATOM 1731 CA ASP A 106 -8.544 -6.549 9.840 1.00 0.00 C ATOM 1732 C ASP A 106 -9.875 -7.155 9.424 1.00 0.00 C ATOM 1733 O ASP A 106 -10.530 -7.844 10.209 1.00 0.00 O ATOM 1734 CB ASP A 106 -8.612 -5.026 9.718 1.00 0.00 C ATOM 1735 CG ASP A 106 -9.688 -4.421 10.594 1.00 0.00 C ATOM 1736 OD1 ASP A 106 -10.839 -4.296 10.134 1.00 0.00 O ATOM 1737 OD2 ASP A 106 -9.383 -4.061 11.751 1.00 0.00 O ATOM 0 H ASP A 106 -7.363 -6.646 8.109 1.00 0.00 H new ATOM 0 HA ASP A 106 -8.344 -6.812 10.879 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -7.646 -4.600 9.988 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -8.800 -4.756 8.679 1.00 0.00 H new ATOM 1742 N ASP A 107 -10.274 -6.898 8.187 1.00 0.00 N ATOM 1743 CA ASP A 107 -11.521 -7.444 7.672 1.00 0.00 C ATOM 1744 C ASP A 107 -11.298 -8.873 7.202 1.00 0.00 C ATOM 1745 O ASP A 107 -10.706 -9.110 6.148 1.00 0.00 O ATOM 1746 CB ASP A 107 -12.075 -6.586 6.534 1.00 0.00 C ATOM 1747 CG ASP A 107 -13.440 -7.060 6.080 1.00 0.00 C ATOM 1748 OD1 ASP A 107 -14.387 -7.014 6.895 1.00 0.00 O ATOM 1749 OD2 ASP A 107 -13.574 -7.474 4.913 1.00 0.00 O ATOM 0 H ASP A 107 -9.757 -6.319 7.525 1.00 0.00 H new ATOM 0 HA ASP A 107 -12.258 -7.440 8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -12.142 -5.548 6.861 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -11.384 -6.611 5.692 1.00 0.00 H new ATOM 1754 N ALA A 108 -11.746 -9.821 8.009 1.00 0.00 N ATOM 1755 CA ALA A 108 -11.493 -11.225 7.740 1.00 0.00 C ATOM 1756 C ALA A 108 -12.674 -11.887 7.048 1.00 0.00 C ATOM 1757 O ALA A 108 -12.500 -12.648 6.098 1.00 0.00 O ATOM 1758 CB ALA A 108 -11.165 -11.955 9.032 1.00 0.00 C ATOM 0 H ALA A 108 -12.287 -9.643 8.855 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.639 -11.285 7.066 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.977 -13.007 8.818 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -10.277 -11.513 9.485 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -12.005 -11.869 9.722 1.00 0.00 H new ATOM 1764 N SER A 109 -13.876 -11.596 7.512 1.00 0.00 N ATOM 1765 CA SER A 109 -15.054 -12.259 6.987 1.00 0.00 C ATOM 1766 C SER A 109 -16.072 -11.260 6.460 1.00 0.00 C ATOM 1767 O SER A 109 -16.762 -10.589 7.231 1.00 0.00 O ATOM 1768 CB SER A 109 -15.683 -13.150 8.061 1.00 0.00 C ATOM 1769 OG SER A 109 -15.895 -12.433 9.268 1.00 0.00 O ATOM 0 H SER A 109 -14.061 -10.911 8.245 1.00 0.00 H new ATOM 0 HA SER A 109 -14.741 -12.881 6.149 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.632 -13.545 7.699 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.035 -14.005 8.253 1.00 0.00 H new ATOM 0 HG SER A 109 -16.276 -11.554 9.063 1.00 0.00 H new ATOM 1775 N LEU A 110 -16.136 -11.144 5.144 1.00 0.00 N ATOM 1776 CA LEU A 110 -17.174 -10.360 4.502 1.00 0.00 C ATOM 1777 C LEU A 110 -18.438 -11.207 4.394 1.00 0.00 C ATOM 1778 O LEU A 110 -18.415 -12.294 3.807 1.00 0.00 O ATOM 1779 CB LEU A 110 -16.717 -9.899 3.115 1.00 0.00 C ATOM 1780 CG LEU A 110 -17.720 -9.027 2.353 1.00 0.00 C ATOM 1781 CD1 LEU A 110 -18.009 -7.744 3.119 1.00 0.00 C ATOM 1782 CD2 LEU A 110 -17.201 -8.712 0.960 1.00 0.00 C ATOM 0 H LEU A 110 -15.479 -11.584 4.500 1.00 0.00 H new ATOM 0 HA LEU A 110 -17.381 -9.472 5.099 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -15.786 -9.343 3.223 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -16.494 -10.780 2.512 1.00 0.00 H new ATOM 0 HG LEU A 110 -18.652 -9.583 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -18.723 -7.140 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -18.427 -7.989 4.095 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -17.084 -7.183 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -17.926 -8.092 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -16.254 -8.177 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -17.050 -9.641 0.409 1.00 0.00 H new ATOM 1794 N GLU A 111 -19.522 -10.726 4.986 1.00 0.00 N ATOM 1795 CA GLU A 111 -20.773 -11.471 5.024 1.00 0.00 C ATOM 1796 C GLU A 111 -21.351 -11.643 3.627 1.00 0.00 C ATOM 1797 O GLU A 111 -21.476 -10.679 2.872 1.00 0.00 O ATOM 1798 CB GLU A 111 -21.789 -10.767 5.918 1.00 0.00 C ATOM 1799 CG GLU A 111 -21.319 -10.588 7.347 1.00 0.00 C ATOM 1800 CD GLU A 111 -22.369 -9.929 8.208 1.00 0.00 C ATOM 1801 OE1 GLU A 111 -22.409 -8.684 8.251 1.00 0.00 O ATOM 1802 OE2 GLU A 111 -23.169 -10.655 8.834 1.00 0.00 O ATOM 0 H GLU A 111 -19.560 -9.818 5.449 1.00 0.00 H new ATOM 0 HA GLU A 111 -20.558 -12.458 5.435 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -22.017 -9.789 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -22.717 -11.338 5.919 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -21.062 -11.560 7.769 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -20.411 -9.985 7.357 1.00 0.00 H new ATOM 1809 N HIS A 112 -21.692 -12.874 3.291 1.00 0.00 N ATOM 1810 CA HIS A 112 -22.282 -13.171 1.997 1.00 0.00 C ATOM 1811 C HIS A 112 -23.796 -13.060 2.070 1.00 0.00 C ATOM 1812 O HIS A 112 -24.493 -14.040 2.343 1.00 0.00 O ATOM 1813 CB HIS A 112 -21.882 -14.570 1.520 1.00 0.00 C ATOM 1814 CG HIS A 112 -20.408 -14.739 1.327 1.00 0.00 C ATOM 1815 ND1 HIS A 112 -19.571 -15.184 2.324 1.00 0.00 N ATOM 1816 CD2 HIS A 112 -19.620 -14.515 0.247 1.00 0.00 C ATOM 1817 CE1 HIS A 112 -18.333 -15.224 1.872 1.00 0.00 C ATOM 1818 NE2 HIS A 112 -18.331 -14.824 0.616 1.00 0.00 N ATOM 0 H HIS A 112 -21.571 -13.686 3.897 1.00 0.00 H new ATOM 0 HA HIS A 112 -21.905 -12.443 1.279 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -22.232 -15.305 2.245 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -22.390 -14.783 0.579 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -19.943 -14.161 -0.721 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -17.466 -15.533 2.436 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -17.509 -14.755 0.016 1.00 0.00 H new ATOM 1827 N HIS A 113 -24.303 -11.856 1.868 1.00 0.00 N ATOM 1828 CA HIS A 113 -25.734 -11.637 1.864 1.00 0.00 C ATOM 1829 C HIS A 113 -26.280 -11.814 0.456 1.00 0.00 C ATOM 1830 O HIS A 113 -26.099 -10.953 -0.407 1.00 0.00 O ATOM 1831 CB HIS A 113 -26.070 -10.245 2.405 1.00 0.00 C ATOM 1832 CG HIS A 113 -27.540 -9.959 2.474 1.00 0.00 C ATOM 1833 ND1 HIS A 113 -28.347 -10.394 3.500 1.00 0.00 N ATOM 1834 CD2 HIS A 113 -28.343 -9.276 1.631 1.00 0.00 C ATOM 1835 CE1 HIS A 113 -29.586 -9.992 3.282 1.00 0.00 C ATOM 1836 NE2 HIS A 113 -29.610 -9.310 2.154 1.00 0.00 N ATOM 0 H HIS A 113 -23.744 -11.018 1.705 1.00 0.00 H new ATOM 0 HA HIS A 113 -26.204 -12.372 2.517 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -25.642 -10.140 3.402 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -25.593 -9.496 1.773 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -28.043 -8.792 0.713 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -30.435 -10.189 3.920 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -30.436 -8.878 1.739 1.00 0.00 H new ATOM 1845 N HIS A 114 -26.941 -12.937 0.234 1.00 0.00 N ATOM 1846 CA HIS A 114 -27.509 -13.253 -1.068 1.00 0.00 C ATOM 1847 C HIS A 114 -28.715 -12.366 -1.349 1.00 0.00 C ATOM 1848 O HIS A 114 -29.173 -11.632 -0.469 1.00 0.00 O ATOM 1849 CB HIS A 114 -27.912 -14.730 -1.138 1.00 0.00 C ATOM 1850 CG HIS A 114 -26.747 -15.675 -1.136 1.00 0.00 C ATOM 1851 ND1 HIS A 114 -26.359 -16.399 -0.025 1.00 0.00 N ATOM 1852 CD2 HIS A 114 -25.884 -16.014 -2.122 1.00 0.00 C ATOM 1853 CE1 HIS A 114 -25.306 -17.135 -0.329 1.00 0.00 C ATOM 1854 NE2 HIS A 114 -25.000 -16.919 -1.594 1.00 0.00 N ATOM 0 H HIS A 114 -27.099 -13.652 0.944 1.00 0.00 H new ATOM 0 HA HIS A 114 -26.750 -13.065 -1.827 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -28.557 -14.962 -0.291 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -28.500 -14.894 -2.041 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -25.891 -15.641 -3.136 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -24.784 -17.800 0.343 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -24.229 -17.356 -2.099 1.00 0.00 H new ATOM 1863 N HIS A 115 -29.230 -12.428 -2.564 1.00 0.00 N ATOM 1864 CA HIS A 115 -30.362 -11.597 -2.947 1.00 0.00 C ATOM 1865 C HIS A 115 -31.661 -12.227 -2.451 1.00 0.00 C ATOM 1866 O HIS A 115 -32.652 -11.538 -2.221 1.00 0.00 O ATOM 1867 CB HIS A 115 -30.402 -11.419 -4.468 1.00 0.00 C ATOM 1868 CG HIS A 115 -31.054 -10.145 -4.913 1.00 0.00 C ATOM 1869 ND1 HIS A 115 -30.480 -9.293 -5.829 1.00 0.00 N ATOM 1870 CD2 HIS A 115 -32.232 -9.579 -4.563 1.00 0.00 C ATOM 1871 CE1 HIS A 115 -31.274 -8.258 -6.020 1.00 0.00 C ATOM 1872 NE2 HIS A 115 -32.344 -8.407 -5.264 1.00 0.00 N ATOM 0 H HIS A 115 -28.885 -13.042 -3.302 1.00 0.00 H new ATOM 0 HA HIS A 115 -30.249 -10.615 -2.488 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -29.383 -11.449 -4.854 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -30.935 -12.262 -4.909 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -32.950 -9.977 -3.862 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -31.081 -7.428 -6.684 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -33.127 -7.756 -5.210 1.00 0.00 H new ATOM 1881 N HIS A 116 -31.639 -13.542 -2.289 1.00 0.00 N ATOM 1882 CA HIS A 116 -32.791 -14.273 -1.786 1.00 0.00 C ATOM 1883 C HIS A 116 -32.327 -15.524 -1.048 1.00 0.00 C ATOM 1884 O HIS A 116 -31.308 -16.114 -1.401 1.00 0.00 O ATOM 1885 CB HIS A 116 -33.716 -14.656 -2.946 1.00 0.00 C ATOM 1886 CG HIS A 116 -34.995 -15.310 -2.525 1.00 0.00 C ATOM 1887 ND1 HIS A 116 -35.158 -16.676 -2.460 1.00 0.00 N ATOM 1888 CD2 HIS A 116 -36.180 -14.774 -2.150 1.00 0.00 C ATOM 1889 CE1 HIS A 116 -36.386 -16.952 -2.066 1.00 0.00 C ATOM 1890 NE2 HIS A 116 -37.029 -15.815 -1.871 1.00 0.00 N ATOM 0 H HIS A 116 -30.830 -14.127 -2.500 1.00 0.00 H new ATOM 0 HA HIS A 116 -33.343 -13.638 -1.093 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -33.952 -13.759 -3.518 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -33.180 -15.330 -3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -36.414 -13.722 -2.083 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -36.797 -17.941 -1.926 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -37.997 -15.726 -1.564 1.00 0.00 H new ATOM 1899 N HIS A 117 -33.061 -15.909 -0.013 1.00 0.00 N ATOM 1900 CA HIS A 117 -32.763 -17.128 0.724 1.00 0.00 C ATOM 1901 C HIS A 117 -33.503 -18.304 0.112 1.00 0.00 C ATOM 1902 O HIS A 117 -34.648 -18.571 0.533 1.00 0.00 O ATOM 1903 CB HIS A 117 -33.150 -16.995 2.197 1.00 0.00 C ATOM 1904 CG HIS A 117 -32.255 -16.094 2.979 1.00 0.00 C ATOM 1905 ND1 HIS A 117 -32.701 -14.974 3.641 1.00 0.00 N ATOM 1906 CD2 HIS A 117 -30.930 -16.171 3.224 1.00 0.00 C ATOM 1907 CE1 HIS A 117 -31.688 -14.399 4.257 1.00 0.00 C ATOM 1908 NE2 HIS A 117 -30.599 -15.107 4.023 1.00 0.00 N ATOM 1909 OXT HIS A 117 -32.944 -18.950 -0.791 1.00 0.00 O ATOM 0 H HIS A 117 -33.869 -15.393 0.335 1.00 0.00 H new ATOM 0 HA HIS A 117 -31.688 -17.299 0.663 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -34.172 -16.621 2.262 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -33.143 -17.984 2.655 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -30.255 -16.931 2.858 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -31.740 -13.500 4.853 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -29.666 -14.897 4.378 1.00 0.00 H new TER 1918 HIS A 117