USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 823 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 74 MET CE :methyl -165:sc= -0.0524 (180deg=-0.369) USER MOD Set 1.2: A 97 ASN : amide:sc= 0.218 K(o=0.97,f=0.24) USER MOD Set 1.3: A 101 LYS NZ :NH3+ 155:sc= 0.806 (180deg=0.272) USER MOD Set 2.1: A 39 THR OG1 : rot -76:sc= 0.384 USER MOD Set 2.2: A 40 ASN : amide:sc= 0.465 K(o=0.85,f=-1.3) USER MOD Single : A 1 GLY N :NH3+ 149:sc= -1.26! (180deg=-2.14) USER MOD Single : A 2 SER OG : rot 26:sc= 0.694 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 11 SER OG : rot 154:sc= 0.879 USER MOD Single : A 16 HIS : no HD1:sc= 0.674 K(o=0.67,f=-4!) USER MOD Single : A 20 HIS : no HD1:sc= -0.484 K(o=-0.48,f=-3.1!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -149:sc= 1.29 (180deg=-0.034) USER MOD Single : A 33 ASN : amide:sc=-0.00551 K(o=-0.0055,f=-1.4) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc=-0.00722 USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= 1.22 (180deg=0.638) USER MOD Single : A 43 LYS NZ :NH3+ -169:sc=-0.00612 (180deg=-0.122) USER MOD Single : A 49 LYS NZ :NH3+ -143:sc= -0.0609 (180deg=-0.305) USER MOD Single : A 53 SER OG : rot -48:sc= 0.499 USER MOD Single : A 54 ASN : amide:sc= -0.297 K(o=-0.3,f=-1.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.343 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 41:sc= 0.125 USER MOD Single : A 62 ASN : amide:sc= -0.054 X(o=-0.054,f=-0.25) USER MOD Single : A 75 HIS : no HE2:sc= -4.17! C(o=-4.2!,f=-8.4!) USER MOD Single : A 76 SER OG : rot 176:sc= 0.855 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0643 USER MOD Single : A 79 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.24) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc=-0.00956 X(o=-0.0096,f=-0.32) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -0.318 K(o=-0.32,f=-1.7) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot -167:sc= -0.483 USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 99 GLN : amide:sc= -0.378 K(o=-0.38,f=-1.7) USER MOD Single : A 105 ASN : amide:sc= -0.0171 X(o=-0.017,f=-0.047) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.110 14.220 3.914 1.00 9.98 N ATOM 2 CA GLY A 1 -8.544 13.423 5.072 1.00 10.34 C ATOM 3 C GLY A 1 -8.937 14.261 6.282 1.00 10.60 C ATOM 4 O GLY A 1 -8.636 13.879 7.408 1.00 11.05 O ATOM 0 H1 GLY A 1 -7.404 13.685 3.370 1.00 9.98 H new ATOM 0 H2 GLY A 1 -8.930 14.427 3.308 1.00 9.98 H new ATOM 0 H3 GLY A 1 -7.689 15.112 4.244 1.00 9.98 H new ATOM 0 HA2 GLY A 1 -9.393 12.805 4.779 1.00 10.34 H new ATOM 0 HA3 GLY A 1 -7.739 12.745 5.357 1.00 10.34 H new ATOM 10 N SER A 2 -9.590 15.409 6.098 1.00 10.70 N ATOM 11 CA SER A 2 -10.122 16.234 7.170 1.00 11.30 C ATOM 12 C SER A 2 -11.268 17.059 6.597 1.00 11.61 C ATOM 13 O SER A 2 -12.425 16.655 6.710 1.00 12.19 O ATOM 14 CB SER A 2 -9.026 17.128 7.766 1.00 11.61 C ATOM 15 OG SER A 2 -8.217 16.407 8.671 1.00 12.00 O ATOM 0 H SER A 2 -9.765 15.797 5.171 1.00 10.70 H new ATOM 0 HA SER A 2 -10.490 15.610 7.984 1.00 11.30 H new ATOM 0 HB2 SER A 2 -8.408 17.534 6.965 1.00 11.61 H new ATOM 0 HB3 SER A 2 -9.482 17.976 8.277 1.00 11.61 H new ATOM 0 HG SER A 2 -8.237 15.455 8.441 1.00 12.00 H new ATOM 21 N LYS A 3 -10.978 18.214 5.989 1.00 11.52 N ATOM 22 CA LYS A 3 -12.001 19.062 5.389 1.00 12.15 C ATOM 23 C LYS A 3 -11.324 20.214 4.654 1.00 11.91 C ATOM 24 O LYS A 3 -10.162 20.510 4.926 1.00 11.50 O ATOM 25 CB LYS A 3 -12.956 19.600 6.475 1.00 13.36 C ATOM 26 CG LYS A 3 -14.410 19.458 6.011 1.00 14.16 C ATOM 27 CD LYS A 3 -15.401 19.667 7.160 1.00 15.30 C ATOM 28 CE LYS A 3 -15.368 18.469 8.117 1.00 15.27 C ATOM 29 NZ LYS A 3 -16.500 18.494 9.069 1.00 16.24 N ATOM 0 H LYS A 3 -10.031 18.582 5.902 1.00 11.52 H new ATOM 0 HA LYS A 3 -12.590 18.478 4.681 1.00 12.15 H new ATOM 0 HB2 LYS A 3 -12.807 19.052 7.406 1.00 13.36 H new ATOM 0 HB3 LYS A 3 -12.732 20.646 6.682 1.00 13.36 H new ATOM 0 HG2 LYS A 3 -14.611 20.183 5.222 1.00 14.16 H new ATOM 0 HG3 LYS A 3 -14.558 18.468 5.580 1.00 14.16 H new ATOM 0 HD2 LYS A 3 -15.153 20.580 7.701 1.00 15.30 H new ATOM 0 HD3 LYS A 3 -16.408 19.795 6.762 1.00 15.30 H new ATOM 0 HE2 LYS A 3 -15.397 17.544 7.542 1.00 15.27 H new ATOM 0 HE3 LYS A 3 -14.428 18.471 8.670 1.00 15.27 H new ATOM 0 HZ1 LYS A 3 -16.442 17.668 9.699 1.00 16.24 H new ATOM 0 HZ2 LYS A 3 -16.458 19.365 9.636 1.00 16.24 H new ATOM 0 HZ3 LYS A 3 -17.397 18.466 8.543 1.00 16.24 H new ATOM 43 N GLY A 4 -12.064 20.897 3.780 1.00 12.43 N ATOM 44 CA GLY A 4 -11.568 22.053 3.052 1.00 12.45 C ATOM 45 C GLY A 4 -11.276 21.680 1.613 1.00 11.80 C ATOM 46 O GLY A 4 -11.891 20.766 1.069 1.00 11.77 O ATOM 0 H GLY A 4 -13.031 20.657 3.560 1.00 12.43 H new ATOM 0 HA2 GLY A 4 -12.304 22.856 3.085 1.00 12.45 H new ATOM 0 HA3 GLY A 4 -10.663 22.431 3.528 1.00 12.45 H new ATOM 50 N VAL A 5 -10.356 22.422 0.999 1.00 11.53 N ATOM 51 CA VAL A 5 -9.771 22.059 -0.271 1.00 10.94 C ATOM 52 C VAL A 5 -8.687 21.014 -0.012 1.00 9.25 C ATOM 53 O VAL A 5 -8.707 20.342 1.017 1.00 8.71 O ATOM 54 CB VAL A 5 -9.255 23.328 -0.969 1.00 11.59 C ATOM 55 CG1 VAL A 5 -10.431 24.267 -1.265 1.00 13.31 C ATOM 56 CG2 VAL A 5 -8.204 24.103 -0.164 1.00 11.29 C ATOM 0 H VAL A 5 -9.999 23.298 1.380 1.00 11.53 H new ATOM 0 HA VAL A 5 -10.499 21.612 -0.948 1.00 10.94 H new ATOM 0 HB VAL A 5 -8.769 22.988 -1.884 1.00 11.59 H new ATOM 0 HG11 VAL A 5 -10.063 25.166 -1.760 1.00 13.31 H new ATOM 0 HG12 VAL A 5 -11.145 23.762 -1.915 1.00 13.31 H new ATOM 0 HG13 VAL A 5 -10.921 24.542 -0.331 1.00 13.31 H new ATOM 0 HG21 VAL A 5 -7.892 24.984 -0.726 1.00 11.29 H new ATOM 0 HG22 VAL A 5 -8.632 24.413 0.789 1.00 11.29 H new ATOM 0 HG23 VAL A 5 -7.340 23.463 0.017 1.00 11.29 H new ATOM 66 N GLU A 6 -7.716 20.880 -0.913 1.00 8.59 N ATOM 67 CA GLU A 6 -6.541 20.085 -0.634 1.00 7.01 C ATOM 68 C GLU A 6 -5.412 20.983 -0.145 1.00 6.37 C ATOM 69 O GLU A 6 -5.070 21.989 -0.761 1.00 6.96 O ATOM 70 CB GLU A 6 -6.216 19.193 -1.832 1.00 7.14 C ATOM 71 CG GLU A 6 -5.546 19.902 -3.013 1.00 8.00 C ATOM 72 CD GLU A 6 -4.086 19.433 -3.087 1.00 7.80 C ATOM 73 OE1 GLU A 6 -3.264 19.898 -2.262 1.00 7.43 O ATOM 74 OE2 GLU A 6 -3.841 18.487 -3.870 1.00 8.60 O ATOM 0 H GLU A 6 -7.727 21.313 -1.836 1.00 8.59 H new ATOM 0 HA GLU A 6 -6.718 19.389 0.186 1.00 7.01 H new ATOM 0 HB2 GLU A 6 -5.565 18.386 -1.497 1.00 7.14 H new ATOM 0 HB3 GLU A 6 -7.140 18.733 -2.182 1.00 7.14 H new ATOM 0 HG2 GLU A 6 -6.068 19.670 -3.942 1.00 8.00 H new ATOM 0 HG3 GLU A 6 -5.592 20.983 -2.883 1.00 8.00 H new ATOM 81 N LEU A 7 -4.884 20.645 1.032 1.00 5.53 N ATOM 82 CA LEU A 7 -3.804 21.358 1.680 1.00 5.30 C ATOM 83 C LEU A 7 -2.571 20.466 1.662 1.00 3.84 C ATOM 84 O LEU A 7 -1.859 20.399 2.661 1.00 4.19 O ATOM 85 CB LEU A 7 -4.187 21.688 3.135 1.00 6.63 C ATOM 86 CG LEU A 7 -5.473 22.499 3.350 1.00 7.93 C ATOM 87 CD1 LEU A 7 -5.532 23.709 2.423 1.00 8.69 C ATOM 88 CD2 LEU A 7 -6.753 21.675 3.234 1.00 8.10 C ATOM 0 H LEU A 7 -5.212 19.842 1.569 1.00 5.53 H new ATOM 0 HA LEU A 7 -3.604 22.293 1.156 1.00 5.30 H new ATOM 0 HB2 LEU A 7 -4.283 20.750 3.681 1.00 6.63 H new ATOM 0 HB3 LEU A 7 -3.361 22.237 3.587 1.00 6.63 H new ATOM 0 HG LEU A 7 -5.423 22.843 4.383 1.00 7.93 H new ATOM 0 HD11 LEU A 7 -6.455 24.260 2.602 1.00 8.69 H new ATOM 0 HD12 LEU A 7 -4.678 24.358 2.617 1.00 8.69 H new ATOM 0 HD13 LEU A 7 -5.505 23.375 1.386 1.00 8.69 H new ATOM 0 HD21 LEU A 7 -7.617 22.319 3.399 1.00 8.10 H new ATOM 0 HD22 LEU A 7 -6.813 21.235 2.239 1.00 8.10 H new ATOM 0 HD23 LEU A 7 -6.744 20.882 3.982 1.00 8.10 H new ATOM 100 N ARG A 8 -2.337 19.740 0.561 1.00 2.75 N ATOM 101 CA ARG A 8 -1.259 18.751 0.456 1.00 1.80 C ATOM 102 C ARG A 8 -1.571 17.563 1.354 1.00 1.50 C ATOM 103 O ARG A 8 -2.056 16.555 0.849 1.00 1.28 O ATOM 104 CB ARG A 8 0.137 19.362 0.712 1.00 2.47 C ATOM 105 CG ARG A 8 0.387 20.651 -0.083 1.00 2.95 C ATOM 106 CD ARG A 8 0.652 20.374 -1.564 1.00 3.51 C ATOM 107 NE ARG A 8 2.073 20.074 -1.796 1.00 4.40 N ATOM 108 CZ ARG A 8 2.666 20.073 -2.994 1.00 5.49 C ATOM 109 NH1 ARG A 8 1.927 20.182 -4.099 1.00 5.90 N ATOM 110 NH2 ARG A 8 3.993 19.976 -3.083 1.00 6.83 N ATOM 0 H ARG A 8 -2.896 19.824 -0.288 1.00 2.75 H new ATOM 0 HA ARG A 8 -1.214 18.392 -0.572 1.00 1.80 H new ATOM 0 HB2 ARG A 8 0.245 19.572 1.776 1.00 2.47 H new ATOM 0 HB3 ARG A 8 0.901 18.629 0.453 1.00 2.47 H new ATOM 0 HG2 ARG A 8 -0.477 21.308 0.013 1.00 2.95 H new ATOM 0 HG3 ARG A 8 1.239 21.180 0.344 1.00 2.95 H new ATOM 0 HD2 ARG A 8 0.040 19.535 -1.896 1.00 3.51 H new ATOM 0 HD3 ARG A 8 0.357 21.239 -2.158 1.00 3.51 H new ATOM 0 HE ARG A 8 2.648 19.850 -0.984 1.00 4.40 H new ATOM 0 HH11 ARG A 8 0.913 20.266 -4.028 1.00 5.90 H new ATOM 0 HH12 ARG A 8 2.376 20.182 -5.015 1.00 5.90 H new ATOM 0 HH21 ARG A 8 4.557 19.902 -2.236 1.00 6.83 H new ATOM 0 HH22 ARG A 8 4.444 19.975 -3.998 1.00 6.83 H new ATOM 124 N ASN A 9 -1.387 17.698 2.670 1.00 1.57 N ATOM 125 CA ASN A 9 -1.765 16.709 3.670 1.00 1.48 C ATOM 126 C ASN A 9 -3.158 16.175 3.416 1.00 1.20 C ATOM 127 O ASN A 9 -3.384 14.977 3.560 1.00 1.11 O ATOM 128 CB ASN A 9 -1.729 17.314 5.084 1.00 1.75 C ATOM 129 CG ASN A 9 -0.349 17.246 5.721 1.00 2.21 C ATOM 130 OD1 ASN A 9 0.660 17.184 5.034 1.00 2.67 O ATOM 131 ND2 ASN A 9 -0.282 17.263 7.046 1.00 2.67 N ATOM 0 H ASN A 9 -0.956 18.528 3.077 1.00 1.57 H new ATOM 0 HA ASN A 9 -1.044 15.895 3.597 1.00 1.48 H new ATOM 0 HB2 ASN A 9 -2.051 18.354 5.037 1.00 1.75 H new ATOM 0 HB3 ASN A 9 -2.443 16.787 5.718 1.00 1.75 H new ATOM 0 HD21 ASN A 9 0.625 17.224 7.511 1.00 2.67 H new ATOM 0 HD22 ASN A 9 -1.137 17.315 7.599 1.00 2.67 H new ATOM 138 N ASP A 10 -4.114 17.045 3.093 1.00 1.12 N ATOM 139 CA ASP A 10 -5.466 16.548 2.934 1.00 0.94 C ATOM 140 C ASP A 10 -5.574 15.608 1.738 1.00 0.78 C ATOM 141 O ASP A 10 -6.242 14.585 1.846 1.00 0.78 O ATOM 142 CB ASP A 10 -6.501 17.669 2.874 1.00 1.13 C ATOM 143 CG ASP A 10 -7.865 17.057 3.183 1.00 1.75 C ATOM 144 OD1 ASP A 10 -8.478 16.451 2.283 1.00 1.70 O ATOM 145 OD2 ASP A 10 -8.195 16.950 4.383 1.00 3.59 O ATOM 0 H ASP A 10 -3.984 18.046 2.944 1.00 1.12 H new ATOM 0 HA ASP A 10 -5.697 15.970 3.829 1.00 0.94 H new ATOM 0 HB2 ASP A 10 -6.260 18.451 3.594 1.00 1.13 H new ATOM 0 HB3 ASP A 10 -6.505 18.134 1.888 1.00 1.13 H new ATOM 150 N SER A 11 -4.880 15.917 0.638 1.00 0.78 N ATOM 151 CA SER A 11 -4.835 15.097 -0.567 1.00 0.72 C ATOM 152 C SER A 11 -4.137 13.765 -0.284 1.00 0.64 C ATOM 153 O SER A 11 -4.718 12.695 -0.470 1.00 0.66 O ATOM 154 CB SER A 11 -4.114 15.865 -1.691 1.00 0.93 C ATOM 155 OG SER A 11 -5.006 16.144 -2.748 1.00 1.55 O ATOM 0 H SER A 11 -4.321 16.767 0.564 1.00 0.78 H new ATOM 0 HA SER A 11 -5.854 14.880 -0.888 1.00 0.72 H new ATOM 0 HB2 SER A 11 -3.703 16.795 -1.299 1.00 0.93 H new ATOM 0 HB3 SER A 11 -3.274 15.277 -2.061 1.00 0.93 H new ATOM 0 HG SER A 11 -4.701 16.939 -3.233 1.00 1.55 H new ATOM 161 N GLU A 12 -2.876 13.808 0.149 1.00 0.71 N ATOM 162 CA GLU A 12 -2.062 12.605 0.292 1.00 0.73 C ATOM 163 C GLU A 12 -2.590 11.737 1.439 1.00 0.71 C ATOM 164 O GLU A 12 -2.385 10.520 1.466 1.00 0.84 O ATOM 165 CB GLU A 12 -0.580 12.968 0.482 1.00 0.92 C ATOM 166 CG GLU A 12 -0.239 13.501 1.882 1.00 2.19 C ATOM 167 CD GLU A 12 1.271 13.644 2.072 1.00 2.63 C ATOM 168 OE1 GLU A 12 1.835 14.614 1.526 1.00 3.23 O ATOM 169 OE2 GLU A 12 1.846 12.743 2.733 1.00 3.21 O ATOM 0 H GLU A 12 -2.396 14.670 0.408 1.00 0.71 H new ATOM 0 HA GLU A 12 -2.135 12.020 -0.625 1.00 0.73 H new ATOM 0 HB2 GLU A 12 0.028 12.085 0.283 1.00 0.92 H new ATOM 0 HB3 GLU A 12 -0.303 13.719 -0.258 1.00 0.92 H new ATOM 0 HG2 GLU A 12 -0.719 14.468 2.032 1.00 2.19 H new ATOM 0 HG3 GLU A 12 -0.640 12.826 2.638 1.00 2.19 H new ATOM 176 N GLY A 13 -3.260 12.379 2.399 1.00 0.69 N ATOM 177 CA GLY A 13 -4.001 11.736 3.464 1.00 0.75 C ATOM 178 C GLY A 13 -5.284 11.105 2.930 1.00 0.72 C ATOM 179 O GLY A 13 -5.563 9.955 3.242 1.00 0.76 O ATOM 0 H GLY A 13 -3.297 13.397 2.450 1.00 0.69 H new ATOM 0 HA2 GLY A 13 -3.382 10.971 3.933 1.00 0.75 H new ATOM 0 HA3 GLY A 13 -4.244 12.466 4.236 1.00 0.75 H new ATOM 183 N PHE A 14 -6.057 11.824 2.111 1.00 0.71 N ATOM 184 CA PHE A 14 -7.338 11.357 1.586 1.00 0.75 C ATOM 185 C PHE A 14 -7.130 10.064 0.818 1.00 0.69 C ATOM 186 O PHE A 14 -7.755 9.055 1.114 1.00 0.75 O ATOM 187 CB PHE A 14 -7.984 12.415 0.672 1.00 0.80 C ATOM 188 CG PHE A 14 -9.060 11.863 -0.245 1.00 0.92 C ATOM 189 CD1 PHE A 14 -10.232 11.305 0.297 1.00 2.09 C ATOM 190 CD2 PHE A 14 -8.867 11.861 -1.640 1.00 2.56 C ATOM 191 CE1 PHE A 14 -11.207 10.751 -0.551 1.00 2.56 C ATOM 192 CE2 PHE A 14 -9.840 11.302 -2.487 1.00 3.37 C ATOM 193 CZ PHE A 14 -11.010 10.745 -1.943 1.00 2.80 C ATOM 0 H PHE A 14 -5.805 12.759 1.791 1.00 0.71 H new ATOM 0 HA PHE A 14 -8.012 11.181 2.425 1.00 0.75 H new ATOM 0 HB2 PHE A 14 -8.417 13.200 1.292 1.00 0.80 H new ATOM 0 HB3 PHE A 14 -7.207 12.880 0.065 1.00 0.80 H new ATOM 0 HD1 PHE A 14 -10.383 11.302 1.366 1.00 2.09 H new ATOM 0 HD2 PHE A 14 -7.969 12.290 -2.060 1.00 2.56 H new ATOM 0 HE1 PHE A 14 -12.109 10.329 -0.132 1.00 2.56 H new ATOM 0 HE2 PHE A 14 -9.688 11.301 -3.556 1.00 3.37 H new ATOM 0 HZ PHE A 14 -11.756 10.313 -2.593 1.00 2.80 H new ATOM 203 N ILE A 15 -6.250 10.074 -0.178 1.00 0.59 N ATOM 204 CA ILE A 15 -5.996 8.878 -0.962 1.00 0.57 C ATOM 205 C ILE A 15 -5.463 7.737 -0.096 1.00 0.52 C ATOM 206 O ILE A 15 -5.748 6.574 -0.372 1.00 0.56 O ATOM 207 CB ILE A 15 -5.044 9.176 -2.112 1.00 0.55 C ATOM 208 CG1 ILE A 15 -3.672 9.579 -1.552 1.00 0.50 C ATOM 209 CG2 ILE A 15 -5.662 10.214 -3.050 1.00 0.61 C ATOM 210 CD1 ILE A 15 -2.898 10.548 -2.428 1.00 0.51 C ATOM 0 H ILE A 15 -5.707 10.891 -0.457 1.00 0.59 H new ATOM 0 HA ILE A 15 -6.949 8.553 -1.380 1.00 0.57 H new ATOM 0 HB ILE A 15 -4.881 8.285 -2.718 1.00 0.55 H new ATOM 0 HG12 ILE A 15 -3.812 10.029 -0.569 1.00 0.50 H new ATOM 0 HG13 ILE A 15 -3.073 8.680 -1.409 1.00 0.50 H new ATOM 0 HG21 ILE A 15 -4.973 10.420 -3.869 1.00 0.61 H new ATOM 0 HG22 ILE A 15 -6.599 9.829 -3.452 1.00 0.61 H new ATOM 0 HG23 ILE A 15 -5.855 11.134 -2.498 1.00 0.61 H new ATOM 0 HD11 ILE A 15 -1.942 10.779 -1.958 1.00 0.51 H new ATOM 0 HD12 ILE A 15 -2.723 10.096 -3.404 1.00 0.51 H new ATOM 0 HD13 ILE A 15 -3.473 11.466 -2.552 1.00 0.51 H new ATOM 222 N HIS A 16 -4.676 8.045 0.940 1.00 0.48 N ATOM 223 CA HIS A 16 -4.173 7.019 1.839 1.00 0.44 C ATOM 224 C HIS A 16 -5.382 6.347 2.508 1.00 0.55 C ATOM 225 O HIS A 16 -5.529 5.130 2.472 1.00 0.56 O ATOM 226 CB HIS A 16 -3.191 7.656 2.841 1.00 0.42 C ATOM 227 CG HIS A 16 -2.643 6.759 3.928 1.00 0.40 C ATOM 228 ND1 HIS A 16 -1.347 6.286 4.019 1.00 0.49 N ATOM 229 CD2 HIS A 16 -3.274 6.471 5.105 1.00 0.73 C ATOM 230 CE1 HIS A 16 -1.202 5.719 5.232 1.00 0.51 C ATOM 231 NE2 HIS A 16 -2.354 5.836 5.915 1.00 0.67 N ATOM 0 H HIS A 16 -4.379 8.993 1.170 1.00 0.48 H new ATOM 0 HA HIS A 16 -3.613 6.248 1.310 1.00 0.44 H new ATOM 0 HB2 HIS A 16 -2.349 8.061 2.280 1.00 0.42 H new ATOM 0 HB3 HIS A 16 -3.692 8.499 3.317 1.00 0.42 H new ATOM 0 HD2 HIS A 16 -4.300 6.698 5.355 1.00 0.73 H new ATOM 0 HE1 HIS A 16 -0.303 5.245 5.598 1.00 0.51 H new ATOM 0 HE2 HIS A 16 -2.520 5.511 6.868 1.00 0.67 H new ATOM 240 N GLU A 17 -6.288 7.131 3.091 1.00 0.61 N ATOM 241 CA GLU A 17 -7.532 6.636 3.673 1.00 0.65 C ATOM 242 C GLU A 17 -8.315 5.814 2.652 1.00 0.65 C ATOM 243 O GLU A 17 -8.859 4.769 2.987 1.00 0.65 O ATOM 244 CB GLU A 17 -8.400 7.797 4.175 1.00 0.65 C ATOM 245 CG GLU A 17 -7.841 8.463 5.433 1.00 0.81 C ATOM 246 CD GLU A 17 -8.661 9.713 5.757 1.00 1.29 C ATOM 247 OE1 GLU A 17 -8.432 10.746 5.083 1.00 2.29 O ATOM 248 OE2 GLU A 17 -9.527 9.616 6.653 1.00 1.84 O ATOM 0 H GLU A 17 -6.176 8.141 3.173 1.00 0.61 H new ATOM 0 HA GLU A 17 -7.273 5.999 4.519 1.00 0.65 H new ATOM 0 HB2 GLU A 17 -8.490 8.543 3.386 1.00 0.65 H new ATOM 0 HB3 GLU A 17 -9.405 7.429 4.382 1.00 0.65 H new ATOM 0 HG2 GLU A 17 -7.874 7.767 6.271 1.00 0.81 H new ATOM 0 HG3 GLU A 17 -6.795 8.731 5.281 1.00 0.81 H new ATOM 255 N PHE A 18 -8.355 6.257 1.399 1.00 0.66 N ATOM 256 CA PHE A 18 -9.042 5.556 0.328 1.00 0.70 C ATOM 257 C PHE A 18 -8.475 4.151 0.180 1.00 0.64 C ATOM 258 O PHE A 18 -9.233 3.200 0.038 1.00 0.60 O ATOM 259 CB PHE A 18 -8.939 6.361 -0.972 1.00 0.78 C ATOM 260 CG PHE A 18 -10.203 6.331 -1.799 1.00 0.87 C ATOM 261 CD1 PHE A 18 -11.292 7.132 -1.410 1.00 2.20 C ATOM 262 CD2 PHE A 18 -10.299 5.527 -2.949 1.00 1.50 C ATOM 263 CE1 PHE A 18 -12.473 7.136 -2.169 1.00 2.37 C ATOM 264 CE2 PHE A 18 -11.481 5.535 -3.713 1.00 1.73 C ATOM 265 CZ PHE A 18 -12.567 6.340 -3.323 1.00 1.50 C ATOM 0 H PHE A 18 -7.906 7.122 1.099 1.00 0.66 H new ATOM 0 HA PHE A 18 -10.100 5.458 0.570 1.00 0.70 H new ATOM 0 HB2 PHE A 18 -8.696 7.396 -0.731 1.00 0.78 H new ATOM 0 HB3 PHE A 18 -8.114 5.970 -1.568 1.00 0.78 H new ATOM 0 HD1 PHE A 18 -11.219 7.746 -0.524 1.00 2.20 H new ATOM 0 HD2 PHE A 18 -9.467 4.905 -3.245 1.00 1.50 H new ATOM 0 HE1 PHE A 18 -13.308 7.750 -1.866 1.00 2.37 H new ATOM 0 HE2 PHE A 18 -11.554 4.923 -4.600 1.00 1.73 H new ATOM 0 HZ PHE A 18 -13.473 6.346 -3.911 1.00 1.50 H new ATOM 275 N GLY A 19 -7.152 4.003 0.272 1.00 0.67 N ATOM 276 CA GLY A 19 -6.507 2.705 0.350 1.00 0.69 C ATOM 277 C GLY A 19 -7.154 1.829 1.423 1.00 0.60 C ATOM 278 O GLY A 19 -7.528 0.692 1.150 1.00 0.55 O ATOM 0 H GLY A 19 -6.501 4.788 0.294 1.00 0.67 H new ATOM 0 HA2 GLY A 19 -6.570 2.206 -0.617 1.00 0.69 H new ATOM 0 HA3 GLY A 19 -5.448 2.835 0.573 1.00 0.69 H new ATOM 282 N HIS A 20 -7.332 2.357 2.640 1.00 0.59 N ATOM 283 CA HIS A 20 -8.006 1.599 3.691 1.00 0.54 C ATOM 284 C HIS A 20 -9.403 1.174 3.246 1.00 0.43 C ATOM 285 O HIS A 20 -9.747 0.001 3.351 1.00 0.44 O ATOM 286 CB HIS A 20 -8.110 2.387 5.008 1.00 0.74 C ATOM 287 CG HIS A 20 -6.847 2.500 5.820 1.00 1.06 C ATOM 288 ND1 HIS A 20 -6.504 1.629 6.830 1.00 0.49 N ATOM 289 CD2 HIS A 20 -5.960 3.544 5.836 1.00 3.46 C ATOM 290 CE1 HIS A 20 -5.443 2.148 7.469 1.00 1.66 C ATOM 291 NE2 HIS A 20 -5.081 3.306 6.883 1.00 3.80 N ATOM 0 H HIS A 20 -7.024 3.290 2.915 1.00 0.59 H new ATOM 0 HA HIS A 20 -7.394 0.715 3.873 1.00 0.54 H new ATOM 0 HB2 HIS A 20 -8.460 3.393 4.778 1.00 0.74 H new ATOM 0 HB3 HIS A 20 -8.874 1.918 5.628 1.00 0.74 H new ATOM 0 HD2 HIS A 20 -5.947 4.389 5.164 1.00 3.46 H new ATOM 0 HE1 HIS A 20 -4.954 1.704 8.323 1.00 1.66 H new ATOM 0 HE2 HIS A 20 -4.300 3.901 7.160 1.00 3.80 H new ATOM 300 N ALA A 21 -10.217 2.115 2.773 1.00 0.51 N ATOM 301 CA ALA A 21 -11.582 1.822 2.365 1.00 0.55 C ATOM 302 C ALA A 21 -11.625 0.802 1.228 1.00 0.64 C ATOM 303 O ALA A 21 -12.607 0.083 1.088 1.00 0.81 O ATOM 304 CB ALA A 21 -12.294 3.113 1.959 1.00 0.65 C ATOM 0 H ALA A 21 -9.949 3.093 2.664 1.00 0.51 H new ATOM 0 HA ALA A 21 -12.101 1.381 3.216 1.00 0.55 H new ATOM 0 HB1 ALA A 21 -13.316 2.885 1.655 1.00 0.65 H new ATOM 0 HB2 ALA A 21 -12.312 3.800 2.805 1.00 0.65 H new ATOM 0 HB3 ALA A 21 -11.763 3.576 1.127 1.00 0.65 H new ATOM 310 N VAL A 22 -10.587 0.721 0.396 1.00 0.64 N ATOM 311 CA VAL A 22 -10.570 -0.294 -0.649 1.00 0.79 C ATOM 312 C VAL A 22 -10.348 -1.662 -0.026 1.00 0.74 C ATOM 313 O VAL A 22 -10.991 -2.638 -0.413 1.00 0.86 O ATOM 314 CB VAL A 22 -9.529 0.043 -1.728 1.00 0.91 C ATOM 315 CG1 VAL A 22 -9.334 -1.132 -2.693 1.00 1.02 C ATOM 316 CG2 VAL A 22 -9.991 1.261 -2.538 1.00 1.00 C ATOM 0 H VAL A 22 -9.769 1.329 0.424 1.00 0.64 H new ATOM 0 HA VAL A 22 -11.535 -0.313 -1.155 1.00 0.79 H new ATOM 0 HB VAL A 22 -8.586 0.255 -1.224 1.00 0.91 H new ATOM 0 HG11 VAL A 22 -8.592 -0.865 -3.446 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -8.991 -2.005 -2.138 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -10.281 -1.362 -3.182 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -9.248 1.494 -3.301 1.00 1.00 H new ATOM 0 HG22 VAL A 22 -10.945 1.039 -3.016 1.00 1.00 H new ATOM 0 HG23 VAL A 22 -10.109 2.117 -1.873 1.00 1.00 H new ATOM 326 N ASP A 23 -9.469 -1.735 0.969 1.00 0.61 N ATOM 327 CA ASP A 23 -9.191 -2.996 1.630 1.00 0.67 C ATOM 328 C ASP A 23 -10.395 -3.517 2.408 1.00 0.63 C ATOM 329 O ASP A 23 -10.408 -4.676 2.821 1.00 0.62 O ATOM 330 CB ASP A 23 -8.009 -2.841 2.585 1.00 0.66 C ATOM 331 CG ASP A 23 -7.127 -4.087 2.592 1.00 0.98 C ATOM 332 OD1 ASP A 23 -7.107 -4.794 1.562 1.00 2.49 O ATOM 333 OD2 ASP A 23 -6.493 -4.334 3.639 1.00 1.38 O ATOM 0 H ASP A 23 -8.943 -0.939 1.330 1.00 0.61 H new ATOM 0 HA ASP A 23 -8.953 -3.719 0.849 1.00 0.67 H new ATOM 0 HB2 ASP A 23 -7.415 -1.975 2.292 1.00 0.66 H new ATOM 0 HB3 ASP A 23 -8.377 -2.649 3.593 1.00 0.66 H new ATOM 338 N ASP A 24 -11.417 -2.678 2.613 1.00 0.69 N ATOM 339 CA ASP A 24 -12.623 -3.109 3.301 1.00 0.87 C ATOM 340 C ASP A 24 -13.230 -4.271 2.529 1.00 0.98 C ATOM 341 O ASP A 24 -13.471 -5.341 3.078 1.00 1.01 O ATOM 342 CB ASP A 24 -13.646 -1.976 3.409 1.00 1.33 C ATOM 343 CG ASP A 24 -14.986 -2.509 3.915 1.00 2.14 C ATOM 344 OD1 ASP A 24 -15.049 -2.876 5.106 1.00 1.94 O ATOM 345 OD2 ASP A 24 -15.926 -2.558 3.091 1.00 3.81 O ATOM 0 H ASP A 24 -11.426 -1.704 2.311 1.00 0.69 H new ATOM 0 HA ASP A 24 -12.358 -3.413 4.314 1.00 0.87 H new ATOM 0 HB2 ASP A 24 -13.275 -1.207 4.086 1.00 1.33 H new ATOM 0 HB3 ASP A 24 -13.780 -1.505 2.435 1.00 1.33 H new ATOM 350 N TYR A 25 -13.412 -4.071 1.223 1.00 1.17 N ATOM 351 CA TYR A 25 -13.938 -5.083 0.323 1.00 1.49 C ATOM 352 C TYR A 25 -13.098 -6.349 0.395 1.00 1.44 C ATOM 353 O TYR A 25 -13.635 -7.456 0.425 1.00 1.70 O ATOM 354 CB TYR A 25 -13.987 -4.533 -1.108 1.00 1.74 C ATOM 355 CG TYR A 25 -15.381 -4.593 -1.687 1.00 1.59 C ATOM 356 CD1 TYR A 25 -15.885 -5.820 -2.148 1.00 2.68 C ATOM 357 CD2 TYR A 25 -16.193 -3.445 -1.699 1.00 1.93 C ATOM 358 CE1 TYR A 25 -17.203 -5.906 -2.625 1.00 2.45 C ATOM 359 CE2 TYR A 25 -17.503 -3.516 -2.204 1.00 2.42 C ATOM 360 CZ TYR A 25 -18.013 -4.747 -2.671 1.00 1.86 C ATOM 361 OH TYR A 25 -19.288 -4.807 -3.149 1.00 2.19 O ATOM 0 H TYR A 25 -13.194 -3.189 0.760 1.00 1.17 H new ATOM 0 HA TYR A 25 -14.952 -5.339 0.629 1.00 1.49 H new ATOM 0 HB2 TYR A 25 -13.636 -3.501 -1.113 1.00 1.74 H new ATOM 0 HB3 TYR A 25 -13.307 -5.104 -1.740 1.00 1.74 H new ATOM 0 HD1 TYR A 25 -15.258 -6.699 -2.136 1.00 2.68 H new ATOM 0 HD2 TYR A 25 -15.810 -2.509 -1.320 1.00 1.93 H new ATOM 0 HE1 TYR A 25 -17.598 -6.855 -2.956 1.00 2.45 H new ATOM 0 HE2 TYR A 25 -18.119 -2.629 -2.235 1.00 2.42 H new ATOM 0 HH TYR A 25 -19.696 -3.917 -3.105 1.00 2.19 H new ATOM 371 N ALA A 26 -11.773 -6.193 0.408 1.00 1.24 N ATOM 372 CA ALA A 26 -10.890 -7.337 0.480 1.00 1.42 C ATOM 373 C ALA A 26 -11.189 -8.164 1.730 1.00 1.27 C ATOM 374 O ALA A 26 -11.223 -9.382 1.634 1.00 1.47 O ATOM 375 CB ALA A 26 -9.429 -6.895 0.407 1.00 1.47 C ATOM 0 H ALA A 26 -11.300 -5.290 0.370 1.00 1.24 H new ATOM 0 HA ALA A 26 -11.069 -7.981 -0.381 1.00 1.42 H new ATOM 0 HB1 ALA A 26 -8.781 -7.770 0.463 1.00 1.47 H new ATOM 0 HB2 ALA A 26 -9.253 -6.373 -0.533 1.00 1.47 H new ATOM 0 HB3 ALA A 26 -9.209 -6.227 1.240 1.00 1.47 H new ATOM 381 N GLY A 27 -11.451 -7.535 2.878 1.00 0.97 N ATOM 382 CA GLY A 27 -11.746 -8.251 4.112 1.00 0.93 C ATOM 383 C GLY A 27 -13.119 -8.913 4.038 1.00 1.11 C ATOM 384 O GLY A 27 -13.255 -10.113 4.245 1.00 1.48 O ATOM 0 H GLY A 27 -11.464 -6.520 2.974 1.00 0.97 H new ATOM 0 HA2 GLY A 27 -10.982 -9.007 4.291 1.00 0.93 H new ATOM 0 HA3 GLY A 27 -11.715 -7.561 4.955 1.00 0.93 H new ATOM 388 N TYR A 28 -14.147 -8.129 3.706 1.00 1.04 N ATOM 389 CA TYR A 28 -15.541 -8.558 3.635 1.00 1.26 C ATOM 390 C TYR A 28 -15.654 -9.900 2.907 1.00 1.46 C ATOM 391 O TYR A 28 -16.326 -10.832 3.359 1.00 1.58 O ATOM 392 CB TYR A 28 -16.380 -7.455 2.958 1.00 1.58 C ATOM 393 CG TYR A 28 -17.599 -7.054 3.758 1.00 1.68 C ATOM 394 CD1 TYR A 28 -18.805 -7.761 3.602 1.00 1.84 C ATOM 395 CD2 TYR A 28 -17.522 -5.979 4.663 1.00 1.83 C ATOM 396 CE1 TYR A 28 -19.942 -7.390 4.341 1.00 2.08 C ATOM 397 CE2 TYR A 28 -18.651 -5.611 5.414 1.00 2.12 C ATOM 398 CZ TYR A 28 -19.867 -6.311 5.255 1.00 2.22 C ATOM 399 OH TYR A 28 -20.960 -5.937 5.980 1.00 2.58 O ATOM 0 H TYR A 28 -14.025 -7.144 3.471 1.00 1.04 H new ATOM 0 HA TYR A 28 -15.932 -8.712 4.641 1.00 1.26 H new ATOM 0 HB2 TYR A 28 -15.753 -6.577 2.800 1.00 1.58 H new ATOM 0 HB3 TYR A 28 -16.697 -7.802 1.975 1.00 1.58 H new ATOM 0 HD1 TYR A 28 -18.858 -8.591 2.913 1.00 1.84 H new ATOM 0 HD2 TYR A 28 -16.595 -5.437 4.780 1.00 1.83 H new ATOM 0 HE1 TYR A 28 -20.870 -7.927 4.212 1.00 2.08 H new ATOM 0 HE2 TYR A 28 -18.589 -4.791 6.114 1.00 2.12 H new ATOM 0 HH TYR A 28 -20.727 -5.180 6.557 1.00 2.58 H new ATOM 409 N LEU A 29 -14.989 -9.991 1.757 1.00 1.64 N ATOM 410 CA LEU A 29 -14.938 -11.185 0.949 1.00 2.04 C ATOM 411 C LEU A 29 -13.937 -12.208 1.490 1.00 2.11 C ATOM 412 O LEU A 29 -14.243 -13.402 1.475 1.00 2.41 O ATOM 413 CB LEU A 29 -14.575 -10.774 -0.478 1.00 2.29 C ATOM 414 CG LEU A 29 -15.740 -10.108 -1.242 1.00 2.50 C ATOM 415 CD1 LEU A 29 -16.820 -11.152 -1.503 1.00 2.81 C ATOM 416 CD2 LEU A 29 -16.472 -8.950 -0.557 1.00 2.30 C ATOM 0 H LEU A 29 -14.462 -9.213 1.361 1.00 1.64 H new ATOM 0 HA LEU A 29 -15.913 -11.672 0.972 1.00 2.04 H new ATOM 0 HB2 LEU A 29 -13.731 -10.085 -0.446 1.00 2.29 H new ATOM 0 HB3 LEU A 29 -14.246 -11.655 -1.029 1.00 2.29 H new ATOM 0 HG LEU A 29 -15.247 -9.697 -2.123 1.00 2.50 H new ATOM 0 HD11 LEU A 29 -17.648 -10.692 -2.042 1.00 2.81 H new ATOM 0 HD12 LEU A 29 -16.405 -11.964 -2.100 1.00 2.81 H new ATOM 0 HD13 LEU A 29 -17.181 -11.548 -0.554 1.00 2.81 H new ATOM 0 HD21 LEU A 29 -17.263 -8.583 -1.210 1.00 2.30 H new ATOM 0 HD22 LEU A 29 -16.907 -9.298 0.380 1.00 2.30 H new ATOM 0 HD23 LEU A 29 -15.767 -8.144 -0.353 1.00 2.30 H new ATOM 428 N LEU A 30 -12.746 -11.782 1.916 1.00 1.95 N ATOM 429 CA LEU A 30 -11.614 -12.664 2.172 1.00 2.19 C ATOM 430 C LEU A 30 -11.203 -12.540 3.645 1.00 2.17 C ATOM 431 O LEU A 30 -10.477 -11.617 4.000 1.00 2.69 O ATOM 432 CB LEU A 30 -10.418 -12.333 1.260 1.00 2.25 C ATOM 433 CG LEU A 30 -10.748 -12.234 -0.238 1.00 2.41 C ATOM 434 CD1 LEU A 30 -9.755 -11.289 -0.912 1.00 2.38 C ATOM 435 CD2 LEU A 30 -10.670 -13.606 -0.913 1.00 2.78 C ATOM 0 H LEU A 30 -12.542 -10.799 2.094 1.00 1.95 H new ATOM 0 HA LEU A 30 -11.918 -13.688 1.954 1.00 2.19 H new ATOM 0 HB2 LEU A 30 -9.985 -11.387 1.584 1.00 2.25 H new ATOM 0 HB3 LEU A 30 -9.653 -13.097 1.398 1.00 2.25 H new ATOM 0 HG LEU A 30 -11.765 -11.854 -0.341 1.00 2.41 H new ATOM 0 HD11 LEU A 30 -9.986 -11.216 -1.975 1.00 2.38 H new ATOM 0 HD12 LEU A 30 -9.826 -10.301 -0.457 1.00 2.38 H new ATOM 0 HD13 LEU A 30 -8.743 -11.674 -0.786 1.00 2.38 H new ATOM 0 HD21 LEU A 30 -10.908 -13.505 -1.972 1.00 2.78 H new ATOM 0 HD22 LEU A 30 -9.663 -14.008 -0.805 1.00 2.78 H new ATOM 0 HD23 LEU A 30 -11.383 -14.283 -0.444 1.00 2.78 H new ATOM 447 N ASP A 31 -11.648 -13.492 4.474 1.00 2.22 N ATOM 448 CA ASP A 31 -11.466 -13.545 5.932 1.00 2.29 C ATOM 449 C ASP A 31 -12.639 -12.780 6.563 1.00 2.36 C ATOM 450 O ASP A 31 -12.581 -11.571 6.763 1.00 3.58 O ATOM 451 CB ASP A 31 -10.064 -13.072 6.388 1.00 3.40 C ATOM 452 CG ASP A 31 -9.615 -13.723 7.701 1.00 4.15 C ATOM 453 OD1 ASP A 31 -10.467 -13.891 8.595 1.00 4.50 O ATOM 454 OD2 ASP A 31 -8.419 -14.101 7.795 1.00 4.96 O ATOM 0 H ASP A 31 -12.175 -14.293 4.126 1.00 2.22 H new ATOM 0 HA ASP A 31 -11.488 -14.576 6.284 1.00 2.29 H new ATOM 0 HB2 ASP A 31 -9.337 -13.300 5.608 1.00 3.40 H new ATOM 0 HB3 ASP A 31 -10.073 -11.989 6.509 1.00 3.40 H new ATOM 459 N LYS A 32 -13.766 -13.481 6.774 1.00 2.69 N ATOM 460 CA LYS A 32 -15.025 -12.863 7.205 1.00 4.08 C ATOM 461 C LYS A 32 -14.831 -12.127 8.531 1.00 4.48 C ATOM 462 O LYS A 32 -13.866 -12.386 9.235 1.00 4.59 O ATOM 463 CB LYS A 32 -16.147 -13.912 7.356 1.00 5.35 C ATOM 464 CG LYS A 32 -17.159 -13.927 6.201 1.00 6.26 C ATOM 465 CD LYS A 32 -16.740 -14.794 5.007 1.00 6.50 C ATOM 466 CE LYS A 32 -16.495 -13.939 3.761 1.00 7.29 C ATOM 467 NZ LYS A 32 -16.321 -14.780 2.560 1.00 7.89 N ATOM 0 H LYS A 32 -13.827 -14.492 6.650 1.00 2.69 H new ATOM 0 HA LYS A 32 -15.321 -12.152 6.434 1.00 4.08 H new ATOM 0 HB2 LYS A 32 -15.695 -14.900 7.440 1.00 5.35 H new ATOM 0 HB3 LYS A 32 -16.680 -13.725 8.288 1.00 5.35 H new ATOM 0 HG2 LYS A 32 -18.117 -14.286 6.577 1.00 6.26 H new ATOM 0 HG3 LYS A 32 -17.315 -12.905 5.856 1.00 6.26 H new ATOM 0 HD2 LYS A 32 -15.834 -15.347 5.256 1.00 6.50 H new ATOM 0 HD3 LYS A 32 -17.516 -15.531 4.799 1.00 6.50 H new ATOM 0 HE2 LYS A 32 -17.334 -13.259 3.613 1.00 7.29 H new ATOM 0 HE3 LYS A 32 -15.608 -13.323 3.908 1.00 7.29 H new ATOM 0 HZ1 LYS A 32 -15.677 -14.306 1.895 1.00 7.89 H new ATOM 0 HZ2 LYS A 32 -15.920 -15.699 2.835 1.00 7.89 H new ATOM 0 HZ3 LYS A 32 -17.243 -14.928 2.103 1.00 7.89 H new ATOM 481 N ASN A 33 -15.798 -11.267 8.884 1.00 5.30 N ATOM 482 CA ASN A 33 -15.789 -10.360 10.035 1.00 5.95 C ATOM 483 C ASN A 33 -15.079 -10.944 11.262 1.00 4.91 C ATOM 484 O ASN A 33 -15.705 -11.605 12.088 1.00 5.45 O ATOM 485 CB ASN A 33 -17.230 -9.961 10.386 1.00 7.91 C ATOM 486 CG ASN A 33 -17.243 -8.910 11.490 1.00 8.88 C ATOM 487 OD1 ASN A 33 -16.272 -8.188 11.677 1.00 8.66 O ATOM 488 ND2 ASN A 33 -18.340 -8.786 12.223 1.00 10.30 N ATOM 0 H ASN A 33 -16.657 -11.183 8.340 1.00 5.30 H new ATOM 0 HA ASN A 33 -15.216 -9.479 9.745 1.00 5.95 H new ATOM 0 HB2 ASN A 33 -17.731 -9.571 9.500 1.00 7.91 H new ATOM 0 HB3 ASN A 33 -17.788 -10.840 10.707 1.00 7.91 H new ATOM 0 HD21 ASN A 33 -18.385 -8.080 12.958 1.00 10.30 H new ATOM 0 HD22 ASN A 33 -19.139 -9.397 12.052 1.00 10.30 H new ATOM 495 N GLN A 34 -13.770 -10.706 11.356 1.00 4.35 N ATOM 496 CA GLN A 34 -12.887 -11.346 12.323 1.00 4.08 C ATOM 497 C GLN A 34 -11.599 -10.535 12.422 1.00 3.71 C ATOM 498 O GLN A 34 -11.122 -10.251 13.517 1.00 4.30 O ATOM 499 CB GLN A 34 -12.594 -12.792 11.889 1.00 4.93 C ATOM 500 CG GLN A 34 -11.835 -13.555 12.980 1.00 5.89 C ATOM 501 CD GLN A 34 -11.702 -15.042 12.653 1.00 6.96 C ATOM 502 OE1 GLN A 34 -12.636 -15.689 12.195 1.00 7.38 O ATOM 503 NE2 GLN A 34 -10.546 -15.636 12.926 1.00 8.11 N ATOM 0 H GLN A 34 -13.286 -10.047 10.746 1.00 4.35 H new ATOM 0 HA GLN A 34 -13.364 -11.380 13.302 1.00 4.08 H new ATOM 0 HB2 GLN A 34 -13.530 -13.305 11.667 1.00 4.93 H new ATOM 0 HB3 GLN A 34 -12.008 -12.787 10.970 1.00 4.93 H new ATOM 0 HG2 GLN A 34 -10.843 -13.121 13.102 1.00 5.89 H new ATOM 0 HG3 GLN A 34 -12.354 -13.438 13.932 1.00 5.89 H new ATOM 0 HE21 GLN A 34 -9.771 -15.093 13.307 1.00 8.11 H new ATOM 0 HE22 GLN A 34 -10.433 -16.635 12.754 1.00 8.11 H new ATOM 512 N SER A 35 -11.055 -10.127 11.275 1.00 3.34 N ATOM 513 CA SER A 35 -10.095 -9.045 11.195 1.00 3.46 C ATOM 514 C SER A 35 -10.721 -7.991 10.290 1.00 3.05 C ATOM 515 O SER A 35 -11.528 -8.332 9.426 1.00 3.65 O ATOM 516 CB SER A 35 -8.756 -9.571 10.667 1.00 4.46 C ATOM 517 OG SER A 35 -7.715 -9.162 11.530 1.00 5.43 O ATOM 0 H SER A 35 -11.276 -10.547 10.372 1.00 3.34 H new ATOM 0 HA SER A 35 -9.875 -8.606 12.168 1.00 3.46 H new ATOM 0 HB2 SER A 35 -8.781 -10.659 10.601 1.00 4.46 H new ATOM 0 HB3 SER A 35 -8.577 -9.194 9.660 1.00 4.46 H new ATOM 0 HG SER A 35 -6.859 -9.500 11.193 1.00 5.43 H new ATOM 523 N ASP A 36 -10.420 -6.718 10.540 1.00 3.01 N ATOM 524 CA ASP A 36 -10.960 -5.622 9.752 1.00 3.33 C ATOM 525 C ASP A 36 -9.951 -5.301 8.657 1.00 2.91 C ATOM 526 O ASP A 36 -8.766 -5.199 8.967 1.00 3.72 O ATOM 527 CB ASP A 36 -11.187 -4.408 10.660 1.00 4.69 C ATOM 528 CG ASP A 36 -11.885 -3.287 9.900 1.00 5.88 C ATOM 529 OD1 ASP A 36 -12.604 -3.632 8.938 1.00 6.15 O ATOM 530 OD2 ASP A 36 -11.690 -2.116 10.293 1.00 7.10 O ATOM 0 H ASP A 36 -9.797 -6.423 11.292 1.00 3.01 H new ATOM 0 HA ASP A 36 -11.916 -5.891 9.303 1.00 3.33 H new ATOM 0 HB2 ASP A 36 -11.789 -4.699 11.521 1.00 4.69 H new ATOM 0 HB3 ASP A 36 -10.231 -4.052 11.045 1.00 4.69 H new ATOM 535 N LEU A 37 -10.397 -5.156 7.404 1.00 2.59 N ATOM 536 CA LEU A 37 -9.544 -5.105 6.209 1.00 2.01 C ATOM 537 C LEU A 37 -8.818 -6.453 6.008 1.00 1.78 C ATOM 538 O LEU A 37 -8.963 -7.359 6.829 1.00 2.07 O ATOM 539 CB LEU A 37 -8.573 -3.908 6.268 1.00 1.98 C ATOM 540 CG LEU A 37 -9.208 -2.509 6.178 1.00 2.41 C ATOM 541 CD1 LEU A 37 -10.127 -2.158 7.343 1.00 2.79 C ATOM 542 CD2 LEU A 37 -8.084 -1.469 6.179 1.00 2.70 C ATOM 0 H LEU A 37 -11.390 -5.068 7.186 1.00 2.59 H new ATOM 0 HA LEU A 37 -10.174 -4.945 5.334 1.00 2.01 H new ATOM 0 HB2 LEU A 37 -8.011 -3.969 7.200 1.00 1.98 H new ATOM 0 HB3 LEU A 37 -7.854 -4.010 5.455 1.00 1.98 H new ATOM 0 HG LEU A 37 -9.809 -2.509 5.269 1.00 2.41 H new ATOM 0 HD11 LEU A 37 -10.531 -1.156 7.199 1.00 2.79 H new ATOM 0 HD12 LEU A 37 -10.946 -2.876 7.390 1.00 2.79 H new ATOM 0 HD13 LEU A 37 -9.562 -2.191 8.275 1.00 2.79 H new ATOM 0 HD21 LEU A 37 -8.513 -0.469 6.116 1.00 2.70 H new ATOM 0 HD22 LEU A 37 -7.506 -1.558 7.099 1.00 2.70 H new ATOM 0 HD23 LEU A 37 -7.431 -1.638 5.323 1.00 2.70 H new ATOM 554 N VAL A 38 -8.029 -6.644 4.939 1.00 1.66 N ATOM 555 CA VAL A 38 -7.385 -7.943 4.690 1.00 1.78 C ATOM 556 C VAL A 38 -6.018 -7.999 5.384 1.00 2.12 C ATOM 557 O VAL A 38 -5.038 -8.519 4.849 1.00 2.54 O ATOM 558 CB VAL A 38 -7.352 -8.253 3.176 1.00 1.79 C ATOM 559 CG1 VAL A 38 -6.219 -7.574 2.396 1.00 2.23 C ATOM 560 CG2 VAL A 38 -7.273 -9.763 2.916 1.00 2.04 C ATOM 0 H VAL A 38 -7.824 -5.927 4.243 1.00 1.66 H new ATOM 0 HA VAL A 38 -7.974 -8.745 5.134 1.00 1.78 H new ATOM 0 HB VAL A 38 -8.290 -7.837 2.808 1.00 1.79 H new ATOM 0 HG11 VAL A 38 -6.282 -7.854 1.345 1.00 2.23 H new ATOM 0 HG12 VAL A 38 -6.311 -6.492 2.489 1.00 2.23 H new ATOM 0 HG13 VAL A 38 -5.258 -7.893 2.799 1.00 2.23 H new ATOM 0 HG21 VAL A 38 -7.251 -9.947 1.842 1.00 2.04 H new ATOM 0 HG22 VAL A 38 -6.367 -10.164 3.371 1.00 2.04 H new ATOM 0 HG23 VAL A 38 -8.144 -10.253 3.350 1.00 2.04 H new ATOM 570 N THR A 39 -5.942 -7.467 6.604 1.00 2.45 N ATOM 571 CA THR A 39 -4.705 -7.462 7.364 1.00 2.87 C ATOM 572 C THR A 39 -4.272 -8.895 7.671 1.00 3.10 C ATOM 573 O THR A 39 -5.068 -9.836 7.629 1.00 3.77 O ATOM 574 CB THR A 39 -4.886 -6.609 8.627 1.00 3.27 C ATOM 575 OG1 THR A 39 -3.692 -6.527 9.373 1.00 3.95 O ATOM 576 CG2 THR A 39 -5.999 -7.132 9.542 1.00 3.53 C ATOM 0 H THR A 39 -6.731 -7.033 7.084 1.00 2.45 H new ATOM 0 HA THR A 39 -3.903 -7.012 6.779 1.00 2.87 H new ATOM 0 HB THR A 39 -5.168 -5.619 8.269 1.00 3.27 H new ATOM 0 HG1 THR A 39 -3.551 -7.367 9.857 1.00 3.95 H new ATOM 0 HG21 THR A 39 -6.081 -6.490 10.419 1.00 3.53 H new ATOM 0 HG22 THR A 39 -6.945 -7.131 9.001 1.00 3.53 H new ATOM 0 HG23 THR A 39 -5.763 -8.148 9.858 1.00 3.53 H new ATOM 584 N ASN A 40 -2.999 -9.050 8.026 1.00 3.47 N ATOM 585 CA ASN A 40 -2.334 -10.305 8.302 1.00 3.88 C ATOM 586 C ASN A 40 -2.333 -11.179 7.050 1.00 3.09 C ATOM 587 O ASN A 40 -1.362 -11.179 6.305 1.00 3.40 O ATOM 588 CB ASN A 40 -2.913 -11.000 9.549 1.00 4.67 C ATOM 589 CG ASN A 40 -2.753 -10.154 10.810 1.00 5.90 C ATOM 590 OD1 ASN A 40 -3.243 -9.034 10.893 1.00 6.95 O ATOM 591 ND2 ASN A 40 -2.093 -10.683 11.832 1.00 6.49 N ATOM 0 H ASN A 40 -2.374 -8.251 8.133 1.00 3.47 H new ATOM 0 HA ASN A 40 -1.291 -10.110 8.553 1.00 3.88 H new ATOM 0 HB2 ASN A 40 -3.970 -11.211 9.387 1.00 4.67 H new ATOM 0 HB3 ASN A 40 -2.415 -11.959 9.692 1.00 4.67 H new ATOM 0 HD21 ASN A 40 -1.989 -10.156 12.699 1.00 6.49 H new ATOM 0 HD22 ASN A 40 -1.690 -11.616 11.750 1.00 6.49 H new ATOM 598 N SER A 41 -3.416 -11.922 6.819 1.00 3.09 N ATOM 599 CA SER A 41 -3.554 -12.866 5.722 1.00 2.52 C ATOM 600 C SER A 41 -2.562 -14.034 5.858 1.00 3.42 C ATOM 601 O SER A 41 -1.340 -13.885 5.952 1.00 3.93 O ATOM 602 CB SER A 41 -3.482 -12.118 4.390 1.00 3.02 C ATOM 603 OG SER A 41 -3.897 -12.976 3.346 1.00 3.28 O ATOM 0 H SER A 41 -4.245 -11.878 7.412 1.00 3.09 H new ATOM 0 HA SER A 41 -4.535 -13.339 5.757 1.00 2.52 H new ATOM 0 HB2 SER A 41 -4.118 -11.233 4.423 1.00 3.02 H new ATOM 0 HB3 SER A 41 -2.464 -11.773 4.209 1.00 3.02 H new ATOM 0 HG SER A 41 -3.853 -12.497 2.492 1.00 3.28 H new ATOM 609 N LYS A 42 -3.097 -15.254 5.943 1.00 4.43 N ATOM 610 CA LYS A 42 -2.259 -16.415 6.203 1.00 5.68 C ATOM 611 C LYS A 42 -1.353 -16.638 4.991 1.00 4.22 C ATOM 612 O LYS A 42 -1.819 -16.583 3.857 1.00 3.82 O ATOM 613 CB LYS A 42 -3.118 -17.653 6.494 1.00 7.85 C ATOM 614 CG LYS A 42 -3.668 -17.721 7.932 1.00 9.92 C ATOM 615 CD LYS A 42 -5.040 -17.072 8.189 1.00 11.21 C ATOM 616 CE LYS A 42 -4.979 -15.571 8.506 1.00 11.92 C ATOM 617 NZ LYS A 42 -6.239 -15.084 9.119 1.00 13.61 N ATOM 0 H LYS A 42 -4.091 -15.457 5.837 1.00 4.43 H new ATOM 0 HA LYS A 42 -1.645 -16.240 7.086 1.00 5.68 H new ATOM 0 HB2 LYS A 42 -3.955 -17.672 5.796 1.00 7.85 H new ATOM 0 HB3 LYS A 42 -2.523 -18.546 6.303 1.00 7.85 H new ATOM 0 HG2 LYS A 42 -3.730 -18.770 8.221 1.00 9.92 H new ATOM 0 HG3 LYS A 42 -2.942 -17.250 8.595 1.00 9.92 H new ATOM 0 HD2 LYS A 42 -5.669 -17.221 7.312 1.00 11.21 H new ATOM 0 HD3 LYS A 42 -5.523 -17.587 9.019 1.00 11.21 H new ATOM 0 HE2 LYS A 42 -4.147 -15.376 9.183 1.00 11.92 H new ATOM 0 HE3 LYS A 42 -4.782 -15.014 7.590 1.00 11.92 H new ATOM 0 HZ1 LYS A 42 -6.037 -14.257 9.716 1.00 13.61 H new ATOM 0 HZ2 LYS A 42 -6.908 -14.815 8.370 1.00 13.61 H new ATOM 0 HZ3 LYS A 42 -6.656 -15.838 9.701 1.00 13.61 H new ATOM 631 N LYS A 43 -0.062 -16.903 5.235 1.00 4.25 N ATOM 632 CA LYS A 43 0.969 -17.046 4.203 1.00 3.29 C ATOM 633 C LYS A 43 0.970 -15.842 3.251 1.00 2.30 C ATOM 634 O LYS A 43 1.266 -15.978 2.067 1.00 3.58 O ATOM 635 CB LYS A 43 0.829 -18.383 3.448 1.00 4.83 C ATOM 636 CG LYS A 43 1.105 -19.639 4.291 1.00 6.19 C ATOM 637 CD LYS A 43 -0.024 -20.007 5.265 1.00 8.00 C ATOM 638 CE LYS A 43 0.222 -21.364 5.935 1.00 9.36 C ATOM 639 NZ LYS A 43 0.114 -22.496 4.988 1.00 9.91 N ATOM 0 H LYS A 43 0.301 -17.027 6.180 1.00 4.25 H new ATOM 0 HA LYS A 43 1.939 -17.064 4.699 1.00 3.29 H new ATOM 0 HB2 LYS A 43 -0.181 -18.450 3.044 1.00 4.83 H new ATOM 0 HB3 LYS A 43 1.513 -18.377 2.599 1.00 4.83 H new ATOM 0 HG2 LYS A 43 1.280 -20.481 3.621 1.00 6.19 H new ATOM 0 HG3 LYS A 43 2.023 -19.487 4.858 1.00 6.19 H new ATOM 0 HD2 LYS A 43 -0.111 -19.235 6.029 1.00 8.00 H new ATOM 0 HD3 LYS A 43 -0.973 -20.033 4.729 1.00 8.00 H new ATOM 0 HE2 LYS A 43 1.214 -21.367 6.387 1.00 9.36 H new ATOM 0 HE3 LYS A 43 -0.497 -21.501 6.743 1.00 9.36 H new ATOM 0 HZ1 LYS A 43 0.103 -23.391 5.517 1.00 9.91 H new ATOM 0 HZ2 LYS A 43 -0.765 -22.407 4.439 1.00 9.91 H new ATOM 0 HZ3 LYS A 43 0.928 -22.486 4.341 1.00 9.91 H new ATOM 653 N PHE A 44 0.692 -14.652 3.785 1.00 2.00 N ATOM 654 CA PHE A 44 0.705 -13.407 3.032 1.00 3.58 C ATOM 655 C PHE A 44 1.328 -12.285 3.852 1.00 3.22 C ATOM 656 O PHE A 44 1.982 -11.424 3.271 1.00 4.63 O ATOM 657 CB PHE A 44 -0.713 -13.037 2.598 1.00 5.45 C ATOM 658 CG PHE A 44 -1.031 -13.376 1.160 1.00 7.15 C ATOM 659 CD1 PHE A 44 -0.388 -12.671 0.127 1.00 8.76 C ATOM 660 CD2 PHE A 44 -1.992 -14.355 0.852 1.00 7.73 C ATOM 661 CE1 PHE A 44 -0.718 -12.929 -1.214 1.00 10.65 C ATOM 662 CE2 PHE A 44 -2.321 -14.613 -0.491 1.00 9.61 C ATOM 663 CZ PHE A 44 -1.689 -13.897 -1.523 1.00 10.99 C ATOM 0 H PHE A 44 0.448 -14.529 4.768 1.00 2.00 H new ATOM 0 HA PHE A 44 1.315 -13.549 2.140 1.00 3.58 H new ATOM 0 HB2 PHE A 44 -1.424 -13.550 3.246 1.00 5.45 H new ATOM 0 HB3 PHE A 44 -0.859 -11.967 2.748 1.00 5.45 H new ATOM 0 HD1 PHE A 44 0.361 -11.930 0.365 1.00 8.76 H new ATOM 0 HD2 PHE A 44 -2.476 -14.907 1.644 1.00 7.73 H new ATOM 0 HE1 PHE A 44 -0.226 -12.384 -2.006 1.00 10.65 H new ATOM 0 HE2 PHE A 44 -3.061 -15.363 -0.730 1.00 9.61 H new ATOM 0 HZ PHE A 44 -1.950 -14.091 -2.553 1.00 10.99 H new ATOM 673 N ILE A 45 1.172 -12.307 5.181 1.00 1.62 N ATOM 674 CA ILE A 45 1.738 -11.314 6.089 1.00 1.22 C ATOM 675 C ILE A 45 3.227 -11.048 5.827 1.00 1.25 C ATOM 676 O ILE A 45 3.709 -9.960 6.122 1.00 2.62 O ATOM 677 CB ILE A 45 1.465 -11.726 7.551 1.00 1.45 C ATOM 678 CG1 ILE A 45 1.560 -10.477 8.439 1.00 1.80 C ATOM 679 CG2 ILE A 45 2.389 -12.862 8.016 1.00 2.44 C ATOM 680 CD1 ILE A 45 1.233 -10.743 9.910 1.00 1.91 C ATOM 0 H ILE A 45 0.638 -13.032 5.660 1.00 1.62 H new ATOM 0 HA ILE A 45 1.240 -10.363 5.899 1.00 1.22 H new ATOM 0 HB ILE A 45 0.458 -12.135 7.631 1.00 1.45 H new ATOM 0 HG12 ILE A 45 2.568 -10.067 8.368 1.00 1.80 H new ATOM 0 HG13 ILE A 45 0.879 -9.717 8.056 1.00 1.80 H new ATOM 0 HG21 ILE A 45 2.159 -13.117 9.051 1.00 2.44 H new ATOM 0 HG22 ILE A 45 2.237 -13.737 7.384 1.00 2.44 H new ATOM 0 HG23 ILE A 45 3.428 -12.539 7.944 1.00 2.44 H new ATOM 0 HD11 ILE A 45 1.321 -9.815 10.476 1.00 1.91 H new ATOM 0 HD12 ILE A 45 0.215 -11.124 9.993 1.00 1.91 H new ATOM 0 HD13 ILE A 45 1.930 -11.479 10.310 1.00 1.91 H new ATOM 692 N ASP A 46 3.950 -12.024 5.266 1.00 0.70 N ATOM 693 CA ASP A 46 5.343 -11.916 4.826 1.00 0.56 C ATOM 694 C ASP A 46 5.591 -10.593 4.105 1.00 0.43 C ATOM 695 O ASP A 46 6.567 -9.906 4.386 1.00 0.40 O ATOM 696 CB ASP A 46 5.697 -13.075 3.885 1.00 0.86 C ATOM 697 CG ASP A 46 5.733 -14.436 4.577 1.00 2.24 C ATOM 698 OD1 ASP A 46 5.737 -14.454 5.828 1.00 3.81 O ATOM 699 OD2 ASP A 46 5.711 -15.441 3.834 1.00 2.94 O ATOM 0 H ASP A 46 3.561 -12.952 5.099 1.00 0.70 H new ATOM 0 HA ASP A 46 5.974 -11.958 5.714 1.00 0.56 H new ATOM 0 HB2 ASP A 46 4.970 -13.108 3.074 1.00 0.86 H new ATOM 0 HB3 ASP A 46 6.670 -12.881 3.433 1.00 0.86 H new ATOM 704 N ILE A 47 4.687 -10.228 3.193 1.00 0.46 N ATOM 705 CA ILE A 47 4.685 -8.973 2.453 1.00 0.50 C ATOM 706 C ILE A 47 4.905 -7.814 3.436 1.00 0.49 C ATOM 707 O ILE A 47 5.888 -7.080 3.359 1.00 0.49 O ATOM 708 CB ILE A 47 3.347 -8.861 1.681 1.00 0.63 C ATOM 709 CG1 ILE A 47 3.090 -10.002 0.682 1.00 0.67 C ATOM 710 CG2 ILE A 47 3.228 -7.519 0.959 1.00 0.75 C ATOM 711 CD1 ILE A 47 3.846 -9.789 -0.620 1.00 0.68 C ATOM 0 H ILE A 47 3.903 -10.830 2.942 1.00 0.46 H new ATOM 0 HA ILE A 47 5.493 -8.934 1.723 1.00 0.50 H new ATOM 0 HB ILE A 47 2.581 -8.940 2.452 1.00 0.63 H new ATOM 0 HG12 ILE A 47 3.391 -10.950 1.127 1.00 0.67 H new ATOM 0 HG13 ILE A 47 2.022 -10.072 0.476 1.00 0.67 H new ATOM 0 HG21 ILE A 47 2.277 -7.475 0.428 1.00 0.75 H new ATOM 0 HG22 ILE A 47 3.275 -6.709 1.687 1.00 0.75 H new ATOM 0 HG23 ILE A 47 4.047 -7.415 0.247 1.00 0.75 H new ATOM 0 HD11 ILE A 47 3.639 -10.615 -1.300 1.00 0.68 H new ATOM 0 HD12 ILE A 47 3.525 -8.853 -1.078 1.00 0.68 H new ATOM 0 HD13 ILE A 47 4.916 -9.746 -0.417 1.00 0.68 H new ATOM 723 N PHE A 48 4.003 -7.654 4.402 1.00 0.49 N ATOM 724 CA PHE A 48 4.114 -6.621 5.419 1.00 0.48 C ATOM 725 C PHE A 48 5.319 -6.832 6.329 1.00 0.53 C ATOM 726 O PHE A 48 5.854 -5.865 6.856 1.00 0.53 O ATOM 727 CB PHE A 48 2.818 -6.605 6.233 1.00 0.52 C ATOM 728 CG PHE A 48 2.874 -5.727 7.463 1.00 0.53 C ATOM 729 CD1 PHE A 48 3.245 -4.383 7.333 1.00 0.46 C ATOM 730 CD2 PHE A 48 2.623 -6.259 8.741 1.00 0.63 C ATOM 731 CE1 PHE A 48 3.378 -3.570 8.465 1.00 0.49 C ATOM 732 CE2 PHE A 48 2.708 -5.434 9.877 1.00 0.64 C ATOM 733 CZ PHE A 48 3.092 -4.087 9.739 1.00 0.58 C ATOM 0 H PHE A 48 3.174 -8.241 4.498 1.00 0.49 H new ATOM 0 HA PHE A 48 4.266 -5.660 4.927 1.00 0.48 H new ATOM 0 HB2 PHE A 48 2.004 -6.265 5.593 1.00 0.52 H new ATOM 0 HB3 PHE A 48 2.580 -7.624 6.537 1.00 0.52 H new ATOM 0 HD1 PHE A 48 3.430 -3.971 6.352 1.00 0.46 H new ATOM 0 HD2 PHE A 48 2.365 -7.302 8.850 1.00 0.63 H new ATOM 0 HE1 PHE A 48 3.701 -2.545 8.358 1.00 0.49 H new ATOM 0 HE2 PHE A 48 2.479 -5.834 10.854 1.00 0.64 H new ATOM 0 HZ PHE A 48 3.166 -3.453 10.610 1.00 0.58 H new ATOM 743 N LYS A 49 5.757 -8.062 6.584 1.00 0.58 N ATOM 744 CA LYS A 49 6.866 -8.231 7.509 1.00 0.63 C ATOM 745 C LYS A 49 8.124 -7.602 6.925 1.00 0.62 C ATOM 746 O LYS A 49 8.810 -6.852 7.613 1.00 0.65 O ATOM 747 CB LYS A 49 7.112 -9.711 7.840 1.00 0.66 C ATOM 748 CG LYS A 49 6.672 -10.107 9.252 1.00 0.82 C ATOM 749 CD LYS A 49 5.152 -10.099 9.436 1.00 1.21 C ATOM 750 CE LYS A 49 4.524 -8.713 9.627 1.00 1.02 C ATOM 751 NZ LYS A 49 5.104 -7.972 10.767 1.00 0.98 N ATOM 0 H LYS A 49 5.379 -8.920 6.182 1.00 0.58 H new ATOM 0 HA LYS A 49 6.607 -7.728 8.441 1.00 0.63 H new ATOM 0 HB2 LYS A 49 6.580 -10.329 7.117 1.00 0.66 H new ATOM 0 HB3 LYS A 49 8.174 -9.928 7.726 1.00 0.66 H new ATOM 0 HG2 LYS A 49 7.053 -11.103 9.478 1.00 0.82 H new ATOM 0 HG3 LYS A 49 7.122 -9.422 9.971 1.00 0.82 H new ATOM 0 HD2 LYS A 49 4.694 -10.571 8.566 1.00 1.21 H new ATOM 0 HD3 LYS A 49 4.904 -10.715 10.300 1.00 1.21 H new ATOM 0 HE2 LYS A 49 4.657 -8.130 8.716 1.00 1.02 H new ATOM 0 HE3 LYS A 49 3.451 -8.824 9.780 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 4.356 -7.429 11.245 1.00 0.98 H new ATOM 0 HZ2 LYS A 49 5.527 -8.644 11.439 1.00 0.98 H new ATOM 0 HZ3 LYS A 49 5.837 -7.321 10.421 1.00 0.98 H new ATOM 765 N GLU A 50 8.426 -7.935 5.674 1.00 0.61 N ATOM 766 CA GLU A 50 9.677 -7.549 5.053 1.00 0.64 C ATOM 767 C GLU A 50 9.539 -6.152 4.450 1.00 0.53 C ATOM 768 O GLU A 50 10.308 -5.243 4.755 1.00 0.51 O ATOM 769 CB GLU A 50 10.052 -8.578 3.972 1.00 0.75 C ATOM 770 CG GLU A 50 10.122 -10.017 4.501 1.00 2.57 C ATOM 771 CD GLU A 50 11.069 -10.145 5.694 1.00 2.97 C ATOM 772 OE1 GLU A 50 12.295 -10.099 5.456 1.00 2.70 O ATOM 773 OE2 GLU A 50 10.554 -10.269 6.827 1.00 4.33 O ATOM 0 H GLU A 50 7.810 -8.478 5.069 1.00 0.61 H new ATOM 0 HA GLU A 50 10.470 -7.526 5.800 1.00 0.64 H new ATOM 0 HB2 GLU A 50 9.320 -8.530 3.165 1.00 0.75 H new ATOM 0 HB3 GLU A 50 11.017 -8.309 3.543 1.00 0.75 H new ATOM 0 HG2 GLU A 50 9.124 -10.344 4.794 1.00 2.57 H new ATOM 0 HG3 GLU A 50 10.454 -10.681 3.702 1.00 2.57 H new ATOM 780 N GLU A 51 8.569 -5.979 3.554 1.00 0.51 N ATOM 781 CA GLU A 51 8.434 -4.759 2.773 1.00 0.45 C ATOM 782 C GLU A 51 7.735 -3.671 3.594 1.00 0.42 C ATOM 783 O GLU A 51 7.957 -2.479 3.358 1.00 0.43 O ATOM 784 CB GLU A 51 7.701 -5.068 1.465 1.00 0.44 C ATOM 785 CG GLU A 51 8.496 -6.055 0.585 1.00 0.62 C ATOM 786 CD GLU A 51 7.648 -6.648 -0.545 1.00 1.98 C ATOM 787 OE1 GLU A 51 6.606 -7.263 -0.229 1.00 3.54 O ATOM 788 OE2 GLU A 51 8.000 -6.478 -1.736 1.00 3.00 O ATOM 0 H GLU A 51 7.858 -6.681 3.352 1.00 0.51 H new ATOM 0 HA GLU A 51 9.421 -4.372 2.517 1.00 0.45 H new ATOM 0 HB2 GLU A 51 6.720 -5.488 1.688 1.00 0.44 H new ATOM 0 HB3 GLU A 51 7.534 -4.142 0.914 1.00 0.44 H new ATOM 0 HG2 GLU A 51 9.358 -5.543 0.158 1.00 0.62 H new ATOM 0 HG3 GLU A 51 8.882 -6.862 1.208 1.00 0.62 H new ATOM 795 N GLY A 52 6.954 -4.055 4.614 1.00 0.39 N ATOM 796 CA GLY A 52 6.397 -3.181 5.635 1.00 0.38 C ATOM 797 C GLY A 52 7.436 -2.647 6.624 1.00 0.38 C ATOM 798 O GLY A 52 7.197 -2.571 7.825 1.00 0.38 O ATOM 0 H GLY A 52 6.686 -5.030 4.748 1.00 0.39 H new ATOM 0 HA2 GLY A 52 5.904 -2.339 5.150 1.00 0.38 H new ATOM 0 HA3 GLY A 52 5.630 -3.725 6.186 1.00 0.38 H new ATOM 802 N SER A 53 8.592 -2.222 6.120 1.00 0.41 N ATOM 803 CA SER A 53 9.540 -1.378 6.814 1.00 0.40 C ATOM 804 C SER A 53 10.450 -0.728 5.768 1.00 0.40 C ATOM 805 O SER A 53 11.644 -0.562 6.013 1.00 0.56 O ATOM 806 CB SER A 53 10.313 -2.238 7.825 1.00 0.52 C ATOM 807 OG SER A 53 11.210 -1.454 8.587 1.00 1.79 O ATOM 0 H SER A 53 8.899 -2.470 5.179 1.00 0.41 H new ATOM 0 HA SER A 53 9.050 -0.581 7.373 1.00 0.40 H new ATOM 0 HB2 SER A 53 9.611 -2.741 8.490 1.00 0.52 H new ATOM 0 HB3 SER A 53 10.865 -3.016 7.297 1.00 0.52 H new ATOM 0 HG SER A 53 11.725 -0.872 7.990 1.00 1.79 H new ATOM 813 N ASN A 54 9.906 -0.385 4.591 1.00 0.36 N ATOM 814 CA ASN A 54 10.736 0.032 3.461 1.00 0.44 C ATOM 815 C ASN A 54 10.079 1.089 2.578 1.00 0.56 C ATOM 816 O ASN A 54 10.756 1.960 2.035 1.00 0.83 O ATOM 817 CB ASN A 54 11.111 -1.203 2.628 1.00 0.53 C ATOM 818 CG ASN A 54 12.388 -0.979 1.824 1.00 0.68 C ATOM 819 OD1 ASN A 54 13.138 -0.041 2.060 1.00 0.99 O ATOM 820 ND2 ASN A 54 12.682 -1.849 0.871 1.00 1.87 N ATOM 0 H ASN A 54 8.904 -0.389 4.402 1.00 0.36 H new ATOM 0 HA ASN A 54 11.629 0.502 3.874 1.00 0.44 H new ATOM 0 HB2 ASN A 54 11.243 -2.060 3.288 1.00 0.53 H new ATOM 0 HB3 ASN A 54 10.293 -1.446 1.950 1.00 0.53 H new ATOM 0 HD21 ASN A 54 13.538 -1.740 0.328 1.00 1.87 H new ATOM 0 HD22 ASN A 54 12.052 -2.628 0.680 1.00 1.87 H new ATOM 827 N LEU A 55 8.757 1.030 2.409 1.00 0.43 N ATOM 828 CA LEU A 55 8.044 2.066 1.671 1.00 0.41 C ATOM 829 C LEU A 55 8.160 3.406 2.400 1.00 0.43 C ATOM 830 O LEU A 55 8.324 4.451 1.775 1.00 0.51 O ATOM 831 CB LEU A 55 6.568 1.683 1.512 1.00 0.32 C ATOM 832 CG LEU A 55 6.322 0.277 0.952 1.00 0.42 C ATOM 833 CD1 LEU A 55 4.849 0.098 0.580 1.00 0.44 C ATOM 834 CD2 LEU A 55 7.190 0.055 -0.281 1.00 0.55 C ATOM 0 H LEU A 55 8.166 0.282 2.771 1.00 0.43 H new ATOM 0 HA LEU A 55 8.492 2.161 0.682 1.00 0.41 H new ATOM 0 HB2 LEU A 55 6.081 1.761 2.484 1.00 0.32 H new ATOM 0 HB3 LEU A 55 6.088 2.409 0.855 1.00 0.32 H new ATOM 0 HG LEU A 55 6.582 -0.453 1.718 1.00 0.42 H new ATOM 0 HD11 LEU A 55 4.693 -0.906 0.184 1.00 0.44 H new ATOM 0 HD12 LEU A 55 4.230 0.239 1.466 1.00 0.44 H new ATOM 0 HD13 LEU A 55 4.573 0.833 -0.176 1.00 0.44 H new ATOM 0 HD21 LEU A 55 7.012 -0.945 -0.676 1.00 0.55 H new ATOM 0 HD22 LEU A 55 6.939 0.795 -1.041 1.00 0.55 H new ATOM 0 HD23 LEU A 55 8.241 0.156 -0.009 1.00 0.55 H new ATOM 846 N THR A 56 8.041 3.370 3.728 1.00 0.40 N ATOM 847 CA THR A 56 8.058 4.524 4.620 1.00 0.44 C ATOM 848 C THR A 56 7.832 4.012 6.048 1.00 0.39 C ATOM 849 O THR A 56 7.535 2.834 6.250 1.00 0.34 O ATOM 850 CB THR A 56 7.041 5.603 4.182 1.00 0.51 C ATOM 851 OG1 THR A 56 6.864 6.582 5.191 1.00 0.65 O ATOM 852 CG2 THR A 56 5.667 5.035 3.841 1.00 0.41 C ATOM 0 H THR A 56 7.925 2.491 4.233 1.00 0.40 H new ATOM 0 HA THR A 56 9.023 5.029 4.577 1.00 0.44 H new ATOM 0 HB THR A 56 7.470 6.045 3.283 1.00 0.51 H new ATOM 0 HG1 THR A 56 6.217 7.252 4.886 1.00 0.65 H new ATOM 0 HG21 THR A 56 5.002 5.845 3.542 1.00 0.41 H new ATOM 0 HG22 THR A 56 5.761 4.322 3.022 1.00 0.41 H new ATOM 0 HG23 THR A 56 5.254 4.531 4.715 1.00 0.41 H new ATOM 860 N SER A 57 7.918 4.894 7.049 1.00 0.43 N ATOM 861 CA SER A 57 7.454 4.587 8.397 1.00 0.43 C ATOM 862 C SER A 57 5.963 4.247 8.385 1.00 0.49 C ATOM 863 O SER A 57 5.521 3.416 9.174 1.00 0.50 O ATOM 864 CB SER A 57 7.727 5.769 9.326 1.00 0.48 C ATOM 865 OG SER A 57 9.120 5.960 9.455 1.00 0.97 O ATOM 0 H SER A 57 8.308 5.831 6.945 1.00 0.43 H new ATOM 0 HA SER A 57 7.999 3.718 8.767 1.00 0.43 H new ATOM 0 HB2 SER A 57 7.262 6.671 8.929 1.00 0.48 H new ATOM 0 HB3 SER A 57 7.283 5.585 10.304 1.00 0.48 H new ATOM 0 HG SER A 57 9.292 6.720 10.050 1.00 0.97 H new ATOM 871 N TYR A 58 5.188 4.845 7.472 1.00 0.59 N ATOM 872 CA TYR A 58 3.770 4.519 7.332 1.00 0.65 C ATOM 873 C TYR A 58 3.562 3.067 6.878 1.00 0.52 C ATOM 874 O TYR A 58 2.486 2.499 7.063 1.00 0.64 O ATOM 875 CB TYR A 58 3.084 5.489 6.354 1.00 0.83 C ATOM 876 CG TYR A 58 1.872 6.230 6.891 1.00 1.04 C ATOM 877 CD1 TYR A 58 1.045 5.685 7.898 1.00 1.04 C ATOM 878 CD2 TYR A 58 1.575 7.503 6.363 1.00 1.32 C ATOM 879 CE1 TYR A 58 -0.009 6.446 8.426 1.00 1.31 C ATOM 880 CE2 TYR A 58 0.486 8.244 6.853 1.00 1.61 C ATOM 881 CZ TYR A 58 -0.302 7.725 7.903 1.00 1.60 C ATOM 882 OH TYR A 58 -1.350 8.445 8.388 1.00 1.89 O ATOM 0 H TYR A 58 5.522 5.556 6.821 1.00 0.59 H new ATOM 0 HA TYR A 58 3.312 4.628 8.315 1.00 0.65 H new ATOM 0 HB2 TYR A 58 3.819 6.224 6.027 1.00 0.83 H new ATOM 0 HB3 TYR A 58 2.780 4.928 5.470 1.00 0.83 H new ATOM 0 HD1 TYR A 58 1.224 4.684 8.261 1.00 1.04 H new ATOM 0 HD2 TYR A 58 2.190 7.912 5.575 1.00 1.32 H new ATOM 0 HE1 TYR A 58 -0.601 6.051 9.238 1.00 1.31 H new ATOM 0 HE2 TYR A 58 0.252 9.209 6.427 1.00 1.61 H new ATOM 0 HH TYR A 58 -1.405 9.301 7.915 1.00 1.89 H new ATOM 892 N GLY A 59 4.596 2.460 6.297 1.00 0.41 N ATOM 893 CA GLY A 59 4.576 1.074 5.884 1.00 0.37 C ATOM 894 C GLY A 59 4.921 0.148 7.036 1.00 0.32 C ATOM 895 O GLY A 59 4.740 -1.054 6.909 1.00 0.41 O ATOM 0 H GLY A 59 5.479 2.931 6.101 1.00 0.41 H new ATOM 0 HA2 GLY A 59 3.589 0.823 5.496 1.00 0.37 H new ATOM 0 HA3 GLY A 59 5.286 0.925 5.070 1.00 0.37 H new ATOM 899 N ARG A 60 5.419 0.685 8.152 1.00 0.33 N ATOM 900 CA ARG A 60 5.825 -0.100 9.308 1.00 0.35 C ATOM 901 C ARG A 60 4.849 0.042 10.470 1.00 0.44 C ATOM 902 O ARG A 60 4.923 -0.715 11.436 1.00 0.51 O ATOM 903 CB ARG A 60 7.231 0.347 9.717 1.00 0.41 C ATOM 904 CG ARG A 60 7.949 -0.616 10.676 1.00 0.51 C ATOM 905 CD ARG A 60 7.994 -0.059 12.106 1.00 1.31 C ATOM 906 NE ARG A 60 8.925 -0.821 12.951 1.00 1.16 N ATOM 907 CZ ARG A 60 9.289 -0.475 14.192 1.00 1.73 C ATOM 908 NH1 ARG A 60 8.736 0.586 14.780 1.00 2.67 N ATOM 909 NH2 ARG A 60 10.211 -1.188 14.844 1.00 1.84 N ATOM 0 H ARG A 60 5.551 1.689 8.275 1.00 0.33 H new ATOM 0 HA ARG A 60 5.826 -1.156 9.039 1.00 0.35 H new ATOM 0 HB2 ARG A 60 7.837 0.465 8.819 1.00 0.41 H new ATOM 0 HB3 ARG A 60 7.165 1.328 10.188 1.00 0.41 H new ATOM 0 HG2 ARG A 60 7.438 -1.579 10.676 1.00 0.51 H new ATOM 0 HG3 ARG A 60 8.964 -0.794 10.322 1.00 0.51 H new ATOM 0 HD2 ARG A 60 8.297 0.988 12.081 1.00 1.31 H new ATOM 0 HD3 ARG A 60 6.995 -0.091 12.542 1.00 1.31 H new ATOM 0 HE ARG A 60 9.323 -1.676 12.563 1.00 1.16 H new ATOM 0 HH11 ARG A 60 8.034 1.136 14.284 1.00 2.67 H new ATOM 0 HH12 ARG A 60 9.015 0.848 15.726 1.00 2.67 H new ATOM 0 HH21 ARG A 60 10.640 -1.998 14.397 1.00 1.84 H new ATOM 0 HH22 ARG A 60 10.487 -0.922 15.789 1.00 1.84 H new ATOM 923 N THR A 61 3.962 1.033 10.402 1.00 0.50 N ATOM 924 CA THR A 61 2.779 1.120 11.248 1.00 0.60 C ATOM 925 C THR A 61 1.848 -0.075 10.982 1.00 0.65 C ATOM 926 O THR A 61 2.267 -1.066 10.388 1.00 0.98 O ATOM 927 CB THR A 61 2.118 2.491 11.011 1.00 0.68 C ATOM 928 OG1 THR A 61 2.261 2.909 9.675 1.00 1.07 O ATOM 929 CG2 THR A 61 2.833 3.539 11.857 1.00 0.81 C ATOM 0 H THR A 61 4.049 1.809 9.746 1.00 0.50 H new ATOM 0 HA THR A 61 3.038 1.058 12.305 1.00 0.60 H new ATOM 0 HB THR A 61 1.063 2.391 11.265 1.00 0.68 H new ATOM 0 HG1 THR A 61 2.123 2.145 9.077 1.00 1.07 H new ATOM 0 HG21 THR A 61 2.372 4.513 11.696 1.00 0.81 H new ATOM 0 HG22 THR A 61 2.755 3.271 12.911 1.00 0.81 H new ATOM 0 HG23 THR A 61 3.884 3.583 11.570 1.00 0.81 H new ATOM 937 N ASN A 62 0.593 -0.021 11.444 1.00 0.54 N ATOM 938 CA ASN A 62 -0.349 -1.123 11.261 1.00 0.56 C ATOM 939 C ASN A 62 -0.376 -1.580 9.803 1.00 0.54 C ATOM 940 O ASN A 62 -0.224 -0.773 8.890 1.00 0.52 O ATOM 941 CB ASN A 62 -1.762 -0.715 11.712 1.00 0.63 C ATOM 942 CG ASN A 62 -2.007 -1.072 13.169 1.00 1.04 C ATOM 943 OD1 ASN A 62 -1.781 -2.204 13.573 1.00 1.38 O ATOM 944 ND2 ASN A 62 -2.471 -0.131 13.981 1.00 2.14 N ATOM 0 H ASN A 62 0.209 0.778 11.948 1.00 0.54 H new ATOM 0 HA ASN A 62 -0.012 -1.955 11.880 1.00 0.56 H new ATOM 0 HB2 ASN A 62 -1.894 0.358 11.572 1.00 0.63 H new ATOM 0 HB3 ASN A 62 -2.503 -1.212 11.085 1.00 0.63 H new ATOM 0 HD21 ASN A 62 -2.646 -0.345 14.963 1.00 2.14 H new ATOM 0 HD22 ASN A 62 -2.653 0.807 13.624 1.00 2.14 H new ATOM 951 N GLU A 63 -0.626 -2.869 9.578 1.00 0.57 N ATOM 952 CA GLU A 63 -0.628 -3.442 8.239 1.00 0.55 C ATOM 953 C GLU A 63 -1.725 -2.814 7.371 1.00 0.53 C ATOM 954 O GLU A 63 -1.585 -2.689 6.159 1.00 0.55 O ATOM 955 CB GLU A 63 -0.775 -4.954 8.363 1.00 0.58 C ATOM 956 CG GLU A 63 -0.668 -5.658 7.007 1.00 0.86 C ATOM 957 CD GLU A 63 -0.381 -7.154 7.163 1.00 1.57 C ATOM 958 OE1 GLU A 63 -0.521 -7.664 8.298 1.00 2.64 O ATOM 959 OE2 GLU A 63 -0.038 -7.788 6.144 1.00 2.52 O ATOM 0 H GLU A 63 -0.832 -3.541 10.318 1.00 0.57 H new ATOM 0 HA GLU A 63 0.313 -3.223 7.734 1.00 0.55 H new ATOM 0 HB2 GLU A 63 -0.005 -5.339 9.032 1.00 0.58 H new ATOM 0 HB3 GLU A 63 -1.738 -5.188 8.817 1.00 0.58 H new ATOM 0 HG2 GLU A 63 -1.597 -5.522 6.453 1.00 0.86 H new ATOM 0 HG3 GLU A 63 0.125 -5.195 6.419 1.00 0.86 H new ATOM 966 N ALA A 64 -2.803 -2.348 8.000 1.00 0.54 N ATOM 967 CA ALA A 64 -3.818 -1.533 7.350 1.00 0.56 C ATOM 968 C ALA A 64 -3.223 -0.304 6.677 1.00 0.45 C ATOM 969 O ALA A 64 -3.647 0.104 5.598 1.00 0.44 O ATOM 970 CB ALA A 64 -4.877 -1.172 8.392 1.00 0.69 C ATOM 0 H ALA A 64 -2.995 -2.530 8.985 1.00 0.54 H new ATOM 0 HA ALA A 64 -4.283 -2.101 6.544 1.00 0.56 H new ATOM 0 HB1 ALA A 64 -5.650 -0.560 7.928 1.00 0.69 H new ATOM 0 HB2 ALA A 64 -5.325 -2.084 8.787 1.00 0.69 H new ATOM 0 HB3 ALA A 64 -4.412 -0.614 9.205 1.00 0.69 H new ATOM 976 N GLU A 65 -2.264 0.324 7.337 1.00 0.43 N ATOM 977 CA GLU A 65 -1.634 1.529 6.841 1.00 0.40 C ATOM 978 C GLU A 65 -0.625 1.183 5.776 1.00 0.32 C ATOM 979 O GLU A 65 -0.564 1.888 4.784 1.00 0.36 O ATOM 980 CB GLU A 65 -0.990 2.306 7.977 1.00 0.44 C ATOM 981 CG GLU A 65 -2.086 2.523 9.018 1.00 0.59 C ATOM 982 CD GLU A 65 -2.335 3.996 9.284 1.00 1.17 C ATOM 983 OE1 GLU A 65 -2.962 4.602 8.376 1.00 2.85 O ATOM 984 OE2 GLU A 65 -1.913 4.492 10.347 1.00 1.32 O ATOM 0 H GLU A 65 -1.901 0.008 8.236 1.00 0.43 H new ATOM 0 HA GLU A 65 -2.397 2.168 6.396 1.00 0.40 H new ATOM 0 HB2 GLU A 65 -0.153 1.752 8.402 1.00 0.44 H new ATOM 0 HB3 GLU A 65 -0.595 3.258 7.623 1.00 0.44 H new ATOM 0 HG2 GLU A 65 -3.009 2.056 8.675 1.00 0.59 H new ATOM 0 HG3 GLU A 65 -1.805 2.029 9.948 1.00 0.59 H new ATOM 991 N PHE A 66 0.121 0.098 5.955 1.00 0.31 N ATOM 992 CA PHE A 66 1.005 -0.452 4.943 1.00 0.30 C ATOM 993 C PHE A 66 0.275 -0.651 3.615 1.00 0.30 C ATOM 994 O PHE A 66 0.737 -0.202 2.569 1.00 0.30 O ATOM 995 CB PHE A 66 1.570 -1.757 5.504 1.00 0.37 C ATOM 996 CG PHE A 66 2.279 -2.610 4.493 1.00 0.38 C ATOM 997 CD1 PHE A 66 3.610 -2.330 4.161 1.00 0.38 C ATOM 998 CD2 PHE A 66 1.610 -3.689 3.890 1.00 0.44 C ATOM 999 CE1 PHE A 66 4.265 -3.102 3.195 1.00 0.44 C ATOM 1000 CE2 PHE A 66 2.283 -4.492 2.960 1.00 0.47 C ATOM 1001 CZ PHE A 66 3.618 -4.205 2.624 1.00 0.47 C ATOM 0 H PHE A 66 0.125 -0.432 6.827 1.00 0.31 H new ATOM 0 HA PHE A 66 1.821 0.236 4.721 1.00 0.30 H new ATOM 0 HB2 PHE A 66 2.262 -1.521 6.312 1.00 0.37 H new ATOM 0 HB3 PHE A 66 0.755 -2.334 5.941 1.00 0.37 H new ATOM 0 HD1 PHE A 66 4.130 -1.520 4.650 1.00 0.38 H new ATOM 0 HD2 PHE A 66 0.581 -3.898 4.143 1.00 0.44 H new ATOM 0 HE1 PHE A 66 5.269 -2.847 2.890 1.00 0.44 H new ATOM 0 HE2 PHE A 66 1.778 -5.330 2.502 1.00 0.47 H new ATOM 0 HZ PHE A 66 4.145 -4.836 1.924 1.00 0.47 H new ATOM 1011 N PHE A 67 -0.876 -1.311 3.637 1.00 0.33 N ATOM 1012 CA PHE A 67 -1.671 -1.504 2.439 1.00 0.33 C ATOM 1013 C PHE A 67 -2.139 -0.143 1.888 1.00 0.29 C ATOM 1014 O PHE A 67 -2.093 0.109 0.685 1.00 0.28 O ATOM 1015 CB PHE A 67 -2.845 -2.430 2.786 1.00 0.40 C ATOM 1016 CG PHE A 67 -3.768 -2.660 1.613 1.00 0.43 C ATOM 1017 CD1 PHE A 67 -3.493 -3.676 0.680 1.00 0.49 C ATOM 1018 CD2 PHE A 67 -4.885 -1.825 1.443 1.00 0.44 C ATOM 1019 CE1 PHE A 67 -4.353 -3.876 -0.414 1.00 0.54 C ATOM 1020 CE2 PHE A 67 -5.727 -2.009 0.330 1.00 0.51 C ATOM 1021 CZ PHE A 67 -5.477 -3.050 -0.579 1.00 0.55 C ATOM 0 H PHE A 67 -1.279 -1.723 4.479 1.00 0.33 H new ATOM 0 HA PHE A 67 -1.081 -1.972 1.651 1.00 0.33 H new ATOM 0 HB2 PHE A 67 -2.457 -3.388 3.132 1.00 0.40 H new ATOM 0 HB3 PHE A 67 -3.412 -1.999 3.611 1.00 0.40 H new ATOM 0 HD1 PHE A 67 -2.622 -4.302 0.804 1.00 0.49 H new ATOM 0 HD2 PHE A 67 -5.096 -1.047 2.162 1.00 0.44 H new ATOM 0 HE1 PHE A 67 -4.150 -4.663 -1.126 1.00 0.54 H new ATOM 0 HE2 PHE A 67 -6.567 -1.348 0.175 1.00 0.51 H new ATOM 0 HZ PHE A 67 -6.151 -3.216 -1.407 1.00 0.55 H new ATOM 1031 N ALA A 68 -2.608 0.745 2.766 1.00 0.28 N ATOM 1032 CA ALA A 68 -3.195 2.026 2.396 1.00 0.28 C ATOM 1033 C ALA A 68 -2.207 2.988 1.718 1.00 0.27 C ATOM 1034 O ALA A 68 -2.467 3.494 0.629 1.00 0.27 O ATOM 1035 CB ALA A 68 -3.796 2.632 3.659 1.00 0.30 C ATOM 0 H ALA A 68 -2.588 0.587 3.773 1.00 0.28 H new ATOM 0 HA ALA A 68 -3.962 1.856 1.641 1.00 0.28 H new ATOM 0 HB1 ALA A 68 -4.247 3.596 3.421 1.00 0.30 H new ATOM 0 HB2 ALA A 68 -4.559 1.963 4.056 1.00 0.30 H new ATOM 0 HB3 ALA A 68 -3.013 2.772 4.404 1.00 0.30 H new ATOM 1041 N GLU A 69 -1.079 3.291 2.355 1.00 0.33 N ATOM 1042 CA GLU A 69 0.036 3.998 1.734 1.00 0.30 C ATOM 1043 C GLU A 69 0.504 3.293 0.461 1.00 0.26 C ATOM 1044 O GLU A 69 0.736 3.969 -0.537 1.00 0.27 O ATOM 1045 CB GLU A 69 1.158 4.249 2.752 1.00 0.48 C ATOM 1046 CG GLU A 69 1.824 2.971 3.266 1.00 1.21 C ATOM 1047 CD GLU A 69 3.169 2.674 2.620 1.00 2.57 C ATOM 1048 OE1 GLU A 69 3.394 3.127 1.475 1.00 3.09 O ATOM 1049 OE2 GLU A 69 3.970 2.010 3.308 1.00 3.85 O ATOM 0 H GLU A 69 -0.912 3.048 3.332 1.00 0.33 H new ATOM 0 HA GLU A 69 -0.307 4.982 1.412 1.00 0.30 H new ATOM 0 HB2 GLU A 69 1.916 4.883 2.293 1.00 0.48 H new ATOM 0 HB3 GLU A 69 0.750 4.801 3.599 1.00 0.48 H new ATOM 0 HG2 GLU A 69 1.960 3.052 4.344 1.00 1.21 H new ATOM 0 HG3 GLU A 69 1.154 2.129 3.092 1.00 1.21 H new ATOM 1056 N ALA A 70 0.553 1.958 0.425 1.00 0.28 N ATOM 1057 CA ALA A 70 0.881 1.278 -0.819 1.00 0.30 C ATOM 1058 C ALA A 70 -0.125 1.640 -1.919 1.00 0.31 C ATOM 1059 O ALA A 70 0.268 1.791 -3.071 1.00 0.40 O ATOM 1060 CB ALA A 70 0.994 -0.233 -0.607 1.00 0.32 C ATOM 0 H ALA A 70 0.374 1.346 1.221 1.00 0.28 H new ATOM 0 HA ALA A 70 1.859 1.623 -1.154 1.00 0.30 H new ATOM 0 HB1 ALA A 70 1.240 -0.716 -1.553 1.00 0.32 H new ATOM 0 HB2 ALA A 70 1.778 -0.441 0.121 1.00 0.32 H new ATOM 0 HB3 ALA A 70 0.044 -0.621 -0.238 1.00 0.32 H new ATOM 1066 N PHE A 71 -1.406 1.828 -1.591 1.00 0.34 N ATOM 1067 CA PHE A 71 -2.394 2.355 -2.531 1.00 0.39 C ATOM 1068 C PHE A 71 -2.029 3.758 -2.995 1.00 0.35 C ATOM 1069 O PHE A 71 -1.995 4.006 -4.202 1.00 0.37 O ATOM 1070 CB PHE A 71 -3.809 2.321 -1.932 1.00 0.45 C ATOM 1071 CG PHE A 71 -4.659 1.249 -2.561 1.00 1.10 C ATOM 1072 CD1 PHE A 71 -4.282 -0.094 -2.403 1.00 2.71 C ATOM 1073 CD2 PHE A 71 -5.775 1.582 -3.345 1.00 1.58 C ATOM 1074 CE1 PHE A 71 -4.994 -1.104 -3.069 1.00 3.71 C ATOM 1075 CE2 PHE A 71 -6.506 0.566 -3.979 1.00 2.39 C ATOM 1076 CZ PHE A 71 -6.109 -0.777 -3.854 1.00 3.29 C ATOM 0 H PHE A 71 -1.785 1.619 -0.667 1.00 0.34 H new ATOM 0 HA PHE A 71 -2.388 1.706 -3.407 1.00 0.39 H new ATOM 0 HB2 PHE A 71 -3.744 2.149 -0.858 1.00 0.45 H new ATOM 0 HB3 PHE A 71 -4.286 3.291 -2.072 1.00 0.45 H new ATOM 0 HD1 PHE A 71 -3.445 -0.350 -1.770 1.00 2.71 H new ATOM 0 HD2 PHE A 71 -6.069 2.615 -3.459 1.00 1.58 H new ATOM 0 HE1 PHE A 71 -4.683 -2.134 -2.977 1.00 3.71 H new ATOM 0 HE2 PHE A 71 -7.377 0.817 -4.566 1.00 2.39 H new ATOM 0 HZ PHE A 71 -6.661 -1.554 -4.361 1.00 3.29 H new ATOM 1086 N ARG A 72 -1.791 4.686 -2.060 1.00 0.34 N ATOM 1087 CA ARG A 72 -1.382 6.052 -2.375 1.00 0.34 C ATOM 1088 C ARG A 72 -0.284 6.036 -3.438 1.00 0.35 C ATOM 1089 O ARG A 72 -0.492 6.495 -4.557 1.00 0.42 O ATOM 1090 CB ARG A 72 -0.952 6.770 -1.091 1.00 0.31 C ATOM 1091 CG ARG A 72 -0.249 8.098 -1.380 1.00 0.38 C ATOM 1092 CD ARG A 72 -0.120 8.887 -0.077 1.00 0.64 C ATOM 1093 NE ARG A 72 1.268 9.243 0.237 1.00 0.76 N ATOM 1094 CZ ARG A 72 1.580 10.028 1.272 1.00 1.34 C ATOM 1095 NH1 ARG A 72 0.638 10.366 2.156 1.00 2.43 N ATOM 1096 NH2 ARG A 72 2.815 10.503 1.410 1.00 1.63 N ATOM 0 H ARG A 72 -1.878 4.505 -1.060 1.00 0.34 H new ATOM 0 HA ARG A 72 -2.221 6.609 -2.793 1.00 0.34 H new ATOM 0 HB2 ARG A 72 -1.828 6.952 -0.468 1.00 0.31 H new ATOM 0 HB3 ARG A 72 -0.284 6.124 -0.521 1.00 0.31 H new ATOM 0 HG2 ARG A 72 0.736 7.917 -1.809 1.00 0.38 H new ATOM 0 HG3 ARG A 72 -0.816 8.672 -2.113 1.00 0.38 H new ATOM 0 HD2 ARG A 72 -0.716 9.797 -0.148 1.00 0.64 H new ATOM 0 HD3 ARG A 72 -0.533 8.298 0.742 1.00 0.64 H new ATOM 0 HE ARG A 72 2.017 8.880 -0.352 1.00 0.76 H new ATOM 0 HH11 ARG A 72 -0.316 10.025 2.040 1.00 2.43 H new ATOM 0 HH12 ARG A 72 0.873 10.965 2.947 1.00 2.43 H new ATOM 0 HH21 ARG A 72 3.531 10.268 0.723 1.00 1.63 H new ATOM 0 HH22 ARG A 72 3.045 11.102 2.203 1.00 1.63 H new ATOM 1110 N LEU A 73 0.859 5.471 -3.075 1.00 0.36 N ATOM 1111 CA LEU A 73 2.052 5.343 -3.890 1.00 0.33 C ATOM 1112 C LEU A 73 1.701 4.736 -5.234 1.00 0.48 C ATOM 1113 O LEU A 73 2.017 5.317 -6.264 1.00 0.85 O ATOM 1114 CB LEU A 73 3.067 4.508 -3.116 1.00 0.31 C ATOM 1115 CG LEU A 73 3.761 5.207 -1.921 1.00 0.23 C ATOM 1116 CD1 LEU A 73 5.151 5.698 -2.337 1.00 0.42 C ATOM 1117 CD2 LEU A 73 3.020 6.397 -1.301 1.00 0.25 C ATOM 0 H LEU A 73 0.982 5.066 -2.147 1.00 0.36 H new ATOM 0 HA LEU A 73 2.493 6.318 -4.097 1.00 0.33 H new ATOM 0 HB2 LEU A 73 2.564 3.615 -2.745 1.00 0.31 H new ATOM 0 HB3 LEU A 73 3.837 4.174 -3.811 1.00 0.31 H new ATOM 0 HG LEU A 73 3.790 4.432 -1.155 1.00 0.23 H new ATOM 0 HD11 LEU A 73 5.632 6.188 -1.491 1.00 0.42 H new ATOM 0 HD12 LEU A 73 5.756 4.850 -2.657 1.00 0.42 H new ATOM 0 HD13 LEU A 73 5.055 6.406 -3.160 1.00 0.42 H new ATOM 0 HD21 LEU A 73 3.606 6.800 -0.475 1.00 0.25 H new ATOM 0 HD22 LEU A 73 2.877 7.170 -2.056 1.00 0.25 H new ATOM 0 HD23 LEU A 73 2.049 6.068 -0.930 1.00 0.25 H new ATOM 1129 N MET A 74 1.034 3.587 -5.256 1.00 0.31 N ATOM 1130 CA MET A 74 0.802 2.861 -6.493 1.00 0.39 C ATOM 1131 C MET A 74 -0.035 3.670 -7.493 1.00 0.47 C ATOM 1132 O MET A 74 0.142 3.519 -8.702 1.00 0.60 O ATOM 1133 CB MET A 74 0.211 1.481 -6.179 1.00 0.61 C ATOM 1134 CG MET A 74 0.423 0.534 -7.356 1.00 1.14 C ATOM 1135 SD MET A 74 -0.901 0.509 -8.592 1.00 1.77 S ATOM 1136 CE MET A 74 0.094 0.381 -10.099 1.00 2.88 C ATOM 0 H MET A 74 0.644 3.140 -4.426 1.00 0.31 H new ATOM 0 HA MET A 74 1.757 2.704 -6.994 1.00 0.39 H new ATOM 0 HB2 MET A 74 0.681 1.072 -5.285 1.00 0.61 H new ATOM 0 HB3 MET A 74 -0.854 1.574 -5.965 1.00 0.61 H new ATOM 0 HG2 MET A 74 1.354 0.805 -7.853 1.00 1.14 H new ATOM 0 HG3 MET A 74 0.551 -0.476 -6.967 1.00 1.14 H new ATOM 0 HE1 MET A 74 -0.524 0.619 -10.965 1.00 2.88 H new ATOM 0 HE2 MET A 74 0.928 1.081 -10.045 1.00 2.88 H new ATOM 0 HE3 MET A 74 0.479 -0.634 -10.196 1.00 2.88 H new ATOM 1146 N HIS A 75 -0.931 4.547 -7.023 1.00 0.54 N ATOM 1147 CA HIS A 75 -1.696 5.405 -7.928 1.00 0.76 C ATOM 1148 C HIS A 75 -1.000 6.738 -8.185 1.00 0.84 C ATOM 1149 O HIS A 75 -1.456 7.469 -9.064 1.00 1.20 O ATOM 1150 CB HIS A 75 -3.129 5.662 -7.426 1.00 0.90 C ATOM 1151 CG HIS A 75 -3.238 6.820 -6.461 1.00 0.79 C ATOM 1152 ND1 HIS A 75 -3.003 8.156 -6.759 1.00 0.75 N ATOM 1153 CD2 HIS A 75 -3.394 6.700 -5.114 1.00 0.97 C ATOM 1154 CE1 HIS A 75 -2.936 8.825 -5.593 1.00 0.89 C ATOM 1155 NE2 HIS A 75 -3.202 7.964 -4.595 1.00 1.02 N ATOM 0 H HIS A 75 -1.140 4.678 -6.033 1.00 0.54 H new ATOM 0 HA HIS A 75 -1.755 4.855 -8.867 1.00 0.76 H new ATOM 0 HB2 HIS A 75 -3.775 5.853 -8.283 1.00 0.90 H new ATOM 0 HB3 HIS A 75 -3.501 4.760 -6.940 1.00 0.90 H new ATOM 0 HD1 HIS A 75 -2.900 8.557 -7.691 1.00 0.75 H new ATOM 0 HD2 HIS A 75 -3.622 5.799 -4.564 1.00 0.97 H new ATOM 0 HE1 HIS A 75 -2.708 9.874 -5.479 1.00 0.89 H new ATOM 1164 N SER A 76 -0.051 7.163 -7.349 1.00 0.68 N ATOM 1165 CA SER A 76 0.564 8.468 -7.453 1.00 0.74 C ATOM 1166 C SER A 76 1.124 8.609 -8.848 1.00 0.62 C ATOM 1167 O SER A 76 2.045 7.909 -9.243 1.00 0.76 O ATOM 1168 CB SER A 76 1.630 8.659 -6.378 1.00 1.05 C ATOM 1169 OG SER A 76 0.982 9.007 -5.174 1.00 1.87 O ATOM 0 H SER A 76 0.308 6.600 -6.578 1.00 0.68 H new ATOM 0 HA SER A 76 -0.175 9.252 -7.284 1.00 0.74 H new ATOM 0 HB2 SER A 76 2.208 7.744 -6.248 1.00 1.05 H new ATOM 0 HB3 SER A 76 2.331 9.440 -6.672 1.00 1.05 H new ATOM 0 HG SER A 76 1.644 9.077 -4.455 1.00 1.87 H new ATOM 1175 N THR A 77 0.517 9.514 -9.601 1.00 1.04 N ATOM 1176 CA THR A 77 0.834 9.814 -10.985 1.00 1.46 C ATOM 1177 C THR A 77 2.337 9.918 -11.187 1.00 1.34 C ATOM 1178 O THR A 77 2.860 9.452 -12.200 1.00 1.57 O ATOM 1179 CB THR A 77 0.119 11.110 -11.368 1.00 1.98 C ATOM 1180 OG1 THR A 77 0.043 11.966 -10.244 1.00 2.00 O ATOM 1181 CG2 THR A 77 -1.303 10.792 -11.824 1.00 2.43 C ATOM 0 H THR A 77 -0.248 10.086 -9.243 1.00 1.04 H new ATOM 0 HA THR A 77 0.490 9.008 -11.633 1.00 1.46 H new ATOM 0 HB THR A 77 0.675 11.595 -12.170 1.00 1.98 H new ATOM 0 HG1 THR A 77 -0.414 12.796 -10.495 1.00 2.00 H new ATOM 0 HG21 THR A 77 -1.813 11.716 -12.097 1.00 2.43 H new ATOM 0 HG22 THR A 77 -1.268 10.128 -12.688 1.00 2.43 H new ATOM 0 HG23 THR A 77 -1.845 10.305 -11.013 1.00 2.43 H new ATOM 1189 N ASP A 78 3.028 10.484 -10.197 1.00 1.08 N ATOM 1190 CA ASP A 78 4.475 10.423 -10.147 1.00 0.88 C ATOM 1191 C ASP A 78 4.977 8.976 -10.204 1.00 0.77 C ATOM 1192 O ASP A 78 5.080 8.267 -9.202 1.00 0.70 O ATOM 1193 CB ASP A 78 5.038 11.122 -8.915 1.00 0.95 C ATOM 1194 CG ASP A 78 6.551 10.921 -8.916 1.00 0.96 C ATOM 1195 OD1 ASP A 78 7.119 10.836 -10.037 1.00 1.62 O ATOM 1196 OD2 ASP A 78 7.105 10.755 -7.810 1.00 2.14 O ATOM 0 H ASP A 78 2.601 10.989 -9.421 1.00 1.08 H new ATOM 0 HA ASP A 78 4.836 10.953 -11.028 1.00 0.88 H new ATOM 0 HB2 ASP A 78 4.794 12.184 -8.933 1.00 0.95 H new ATOM 0 HB3 ASP A 78 4.598 10.709 -8.007 1.00 0.95 H new ATOM 1201 N HIS A 79 5.385 8.581 -11.408 1.00 0.81 N ATOM 1202 CA HIS A 79 6.065 7.329 -11.674 1.00 0.84 C ATOM 1203 C HIS A 79 7.159 7.029 -10.654 1.00 0.73 C ATOM 1204 O HIS A 79 7.371 5.866 -10.346 1.00 0.76 O ATOM 1205 CB HIS A 79 6.643 7.343 -13.089 1.00 1.03 C ATOM 1206 CG HIS A 79 7.870 8.212 -13.241 1.00 2.31 C ATOM 1207 ND1 HIS A 79 7.956 9.574 -12.991 1.00 3.35 N ATOM 1208 CD2 HIS A 79 9.115 7.759 -13.578 1.00 3.71 C ATOM 1209 CE1 HIS A 79 9.232 9.941 -13.217 1.00 4.71 C ATOM 1210 NE2 HIS A 79 9.955 8.856 -13.569 1.00 4.90 N ATOM 0 H HIS A 79 5.244 9.145 -12.246 1.00 0.81 H new ATOM 0 HA HIS A 79 5.327 6.532 -11.587 1.00 0.84 H new ATOM 0 HB2 HIS A 79 6.894 6.323 -13.378 1.00 1.03 H new ATOM 0 HB3 HIS A 79 5.876 7.691 -13.781 1.00 1.03 H new ATOM 0 HD2 HIS A 79 9.389 6.740 -13.807 1.00 3.71 H new ATOM 0 HE1 HIS A 79 9.617 10.946 -13.130 1.00 4.71 H new ATOM 0 HE2 HIS A 79 10.951 8.848 -13.790 1.00 4.90 H new ATOM 1219 N ALA A 80 7.892 8.028 -10.171 1.00 0.71 N ATOM 1220 CA ALA A 80 8.967 7.787 -9.230 1.00 0.78 C ATOM 1221 C ALA A 80 8.427 7.200 -7.933 1.00 0.72 C ATOM 1222 O ALA A 80 8.926 6.163 -7.514 1.00 0.74 O ATOM 1223 CB ALA A 80 9.739 9.065 -8.943 1.00 0.88 C ATOM 0 H ALA A 80 7.757 9.008 -10.419 1.00 0.71 H new ATOM 0 HA ALA A 80 9.649 7.067 -9.683 1.00 0.78 H new ATOM 0 HB1 ALA A 80 10.540 8.855 -8.234 1.00 0.88 H new ATOM 0 HB2 ALA A 80 10.166 9.448 -9.870 1.00 0.88 H new ATOM 0 HB3 ALA A 80 9.065 9.810 -8.519 1.00 0.88 H new ATOM 1229 N GLU A 81 7.443 7.839 -7.285 1.00 0.69 N ATOM 1230 CA GLU A 81 6.852 7.312 -6.053 1.00 0.69 C ATOM 1231 C GLU A 81 6.461 5.853 -6.259 1.00 0.57 C ATOM 1232 O GLU A 81 6.751 4.983 -5.436 1.00 0.56 O ATOM 1233 CB GLU A 81 5.642 8.143 -5.567 1.00 0.76 C ATOM 1234 CG GLU A 81 5.857 8.683 -4.135 1.00 1.16 C ATOM 1235 CD GLU A 81 4.553 8.998 -3.374 1.00 2.33 C ATOM 1236 OE1 GLU A 81 3.466 8.896 -3.986 1.00 3.56 O ATOM 1237 OE2 GLU A 81 4.636 9.306 -2.162 1.00 2.97 O ATOM 0 H GLU A 81 7.041 8.723 -7.597 1.00 0.69 H new ATOM 0 HA GLU A 81 7.605 7.383 -5.268 1.00 0.69 H new ATOM 0 HB2 GLU A 81 5.476 8.977 -6.249 1.00 0.76 H new ATOM 0 HB3 GLU A 81 4.743 7.526 -5.592 1.00 0.76 H new ATOM 0 HG2 GLU A 81 6.429 7.951 -3.565 1.00 1.16 H new ATOM 0 HG3 GLU A 81 6.461 9.589 -4.187 1.00 1.16 H new ATOM 1244 N ARG A 82 5.842 5.571 -7.403 1.00 0.50 N ATOM 1245 CA ARG A 82 5.380 4.224 -7.689 1.00 0.41 C ATOM 1246 C ARG A 82 6.555 3.257 -7.751 1.00 0.45 C ATOM 1247 O ARG A 82 6.579 2.252 -7.048 1.00 0.45 O ATOM 1248 CB ARG A 82 4.637 4.213 -9.020 1.00 0.33 C ATOM 1249 CG ARG A 82 3.322 4.961 -8.862 1.00 0.49 C ATOM 1250 CD ARG A 82 2.817 5.481 -10.201 1.00 0.50 C ATOM 1251 NE ARG A 82 2.877 4.500 -11.291 1.00 1.19 N ATOM 1252 CZ ARG A 82 2.547 4.795 -12.554 1.00 1.89 C ATOM 1253 NH1 ARG A 82 2.178 6.038 -12.869 1.00 2.44 N ATOM 1254 NH2 ARG A 82 2.591 3.850 -13.494 1.00 3.03 N ATOM 0 H ARG A 82 5.652 6.253 -8.138 1.00 0.50 H new ATOM 0 HA ARG A 82 4.709 3.906 -6.891 1.00 0.41 H new ATOM 0 HB2 ARG A 82 5.245 4.681 -9.794 1.00 0.33 H new ATOM 0 HB3 ARG A 82 4.450 3.187 -9.338 1.00 0.33 H new ATOM 0 HG2 ARG A 82 2.576 4.300 -8.421 1.00 0.49 H new ATOM 0 HG3 ARG A 82 3.456 5.795 -8.173 1.00 0.49 H new ATOM 0 HD2 ARG A 82 1.786 5.813 -10.083 1.00 0.50 H new ATOM 0 HD3 ARG A 82 3.403 6.356 -10.482 1.00 0.50 H new ATOM 0 HE ARG A 82 3.184 3.551 -11.076 1.00 1.19 H new ATOM 0 HH11 ARG A 82 2.148 6.759 -12.148 1.00 2.44 H new ATOM 0 HH12 ARG A 82 1.926 6.267 -13.830 1.00 2.44 H new ATOM 0 HH21 ARG A 82 2.876 2.901 -13.251 1.00 3.03 H new ATOM 0 HH22 ARG A 82 2.339 4.076 -14.456 1.00 3.03 H new ATOM 1268 N LEU A 83 7.528 3.532 -8.617 1.00 0.49 N ATOM 1269 CA LEU A 83 8.710 2.711 -8.779 1.00 0.54 C ATOM 1270 C LEU A 83 9.568 2.670 -7.529 1.00 0.55 C ATOM 1271 O LEU A 83 10.375 1.759 -7.402 1.00 0.54 O ATOM 1272 CB LEU A 83 9.556 3.123 -9.993 1.00 0.61 C ATOM 1273 CG LEU A 83 9.073 2.566 -11.343 1.00 0.66 C ATOM 1274 CD1 LEU A 83 8.513 1.146 -11.265 1.00 0.68 C ATOM 1275 CD2 LEU A 83 8.015 3.449 -11.998 1.00 0.65 C ATOM 0 H LEU A 83 7.510 4.346 -9.232 1.00 0.49 H new ATOM 0 HA LEU A 83 8.336 1.704 -8.961 1.00 0.54 H new ATOM 0 HB2 LEU A 83 9.574 4.211 -10.052 1.00 0.61 H new ATOM 0 HB3 LEU A 83 10.583 2.796 -9.829 1.00 0.61 H new ATOM 0 HG LEU A 83 9.979 2.552 -11.949 1.00 0.66 H new ATOM 0 HD11 LEU A 83 8.194 0.826 -12.257 1.00 0.68 H new ATOM 0 HD12 LEU A 83 9.285 0.470 -10.896 1.00 0.68 H new ATOM 0 HD13 LEU A 83 7.660 1.128 -10.586 1.00 0.68 H new ATOM 0 HD21 LEU A 83 7.710 3.008 -12.947 1.00 0.65 H new ATOM 0 HD22 LEU A 83 7.149 3.528 -11.340 1.00 0.65 H new ATOM 0 HD23 LEU A 83 8.428 4.442 -12.175 1.00 0.65 H new ATOM 1287 N LYS A 84 9.410 3.595 -6.588 1.00 0.58 N ATOM 1288 CA LYS A 84 10.075 3.448 -5.306 1.00 0.60 C ATOM 1289 C LYS A 84 9.424 2.311 -4.554 1.00 0.55 C ATOM 1290 O LYS A 84 10.142 1.453 -4.059 1.00 0.60 O ATOM 1291 CB LYS A 84 10.049 4.760 -4.533 1.00 0.57 C ATOM 1292 CG LYS A 84 11.212 5.612 -5.043 1.00 0.75 C ATOM 1293 CD LYS A 84 10.859 7.087 -4.936 1.00 1.04 C ATOM 1294 CE LYS A 84 12.086 7.914 -5.322 1.00 1.05 C ATOM 1295 NZ LYS A 84 11.870 9.359 -5.092 1.00 1.17 N ATOM 0 H LYS A 84 8.840 4.435 -6.688 1.00 0.58 H new ATOM 0 HA LYS A 84 11.128 3.204 -5.448 1.00 0.60 H new ATOM 0 HB2 LYS A 84 9.100 5.276 -4.683 1.00 0.57 H new ATOM 0 HB3 LYS A 84 10.147 4.577 -3.463 1.00 0.57 H new ATOM 0 HG2 LYS A 84 12.110 5.401 -4.463 1.00 0.75 H new ATOM 0 HG3 LYS A 84 11.434 5.357 -6.079 1.00 0.75 H new ATOM 0 HD2 LYS A 84 10.022 7.324 -5.593 1.00 1.04 H new ATOM 0 HD3 LYS A 84 10.545 7.328 -3.920 1.00 1.04 H new ATOM 0 HE2 LYS A 84 12.947 7.579 -4.743 1.00 1.05 H new ATOM 0 HE3 LYS A 84 12.322 7.745 -6.372 1.00 1.05 H new ATOM 0 HZ1 LYS A 84 12.724 9.886 -5.366 1.00 1.17 H new ATOM 0 HZ2 LYS A 84 11.064 9.685 -5.663 1.00 1.17 H new ATOM 0 HZ3 LYS A 84 11.669 9.524 -4.085 1.00 1.17 H new ATOM 1309 N VAL A 85 8.094 2.244 -4.516 1.00 0.50 N ATOM 1310 CA VAL A 85 7.450 1.049 -3.988 1.00 0.49 C ATOM 1311 C VAL A 85 7.971 -0.166 -4.726 1.00 0.44 C ATOM 1312 O VAL A 85 8.396 -1.110 -4.092 1.00 0.56 O ATOM 1313 CB VAL A 85 5.918 1.128 -4.039 1.00 0.53 C ATOM 1314 CG1 VAL A 85 5.215 -0.101 -3.446 1.00 0.53 C ATOM 1315 CG2 VAL A 85 5.491 2.341 -3.231 1.00 0.62 C ATOM 0 H VAL A 85 7.461 2.978 -4.834 1.00 0.50 H new ATOM 0 HA VAL A 85 7.704 0.966 -2.931 1.00 0.49 H new ATOM 0 HB VAL A 85 5.632 1.187 -5.089 1.00 0.53 H new ATOM 0 HG11 VAL A 85 4.135 0.028 -3.518 1.00 0.53 H new ATOM 0 HG12 VAL A 85 5.512 -0.992 -3.999 1.00 0.53 H new ATOM 0 HG13 VAL A 85 5.499 -0.213 -2.399 1.00 0.53 H new ATOM 0 HG21 VAL A 85 4.404 2.425 -3.248 1.00 0.62 H new ATOM 0 HG22 VAL A 85 5.831 2.230 -2.201 1.00 0.62 H new ATOM 0 HG23 VAL A 85 5.931 3.240 -3.663 1.00 0.62 H new ATOM 1325 N GLN A 86 7.958 -0.182 -6.052 1.00 0.36 N ATOM 1326 CA GLN A 86 8.197 -1.427 -6.760 1.00 0.39 C ATOM 1327 C GLN A 86 9.633 -1.926 -6.571 1.00 0.46 C ATOM 1328 O GLN A 86 9.851 -3.064 -6.175 1.00 0.53 O ATOM 1329 CB GLN A 86 7.833 -1.207 -8.240 1.00 0.45 C ATOM 1330 CG GLN A 86 7.115 -2.411 -8.844 1.00 0.96 C ATOM 1331 CD GLN A 86 8.041 -3.471 -9.425 1.00 1.90 C ATOM 1332 OE1 GLN A 86 8.998 -3.157 -10.123 1.00 2.27 O ATOM 1333 NE2 GLN A 86 7.760 -4.745 -9.179 1.00 2.88 N ATOM 0 H GLN A 86 7.789 0.631 -6.644 1.00 0.36 H new ATOM 0 HA GLN A 86 7.568 -2.217 -6.350 1.00 0.39 H new ATOM 0 HB2 GLN A 86 7.198 -0.326 -8.329 1.00 0.45 H new ATOM 0 HB3 GLN A 86 8.740 -1.005 -8.809 1.00 0.45 H new ATOM 0 HG2 GLN A 86 6.494 -2.871 -8.076 1.00 0.96 H new ATOM 0 HG3 GLN A 86 6.445 -2.062 -9.629 1.00 0.96 H new ATOM 0 HE21 GLN A 86 6.959 -4.987 -8.596 1.00 2.88 H new ATOM 0 HE22 GLN A 86 8.345 -5.482 -9.573 1.00 2.88 H new ATOM 1342 N LYS A 87 10.623 -1.072 -6.820 1.00 0.50 N ATOM 1343 CA LYS A 87 12.035 -1.354 -6.600 1.00 0.55 C ATOM 1344 C LYS A 87 12.285 -1.781 -5.154 1.00 0.51 C ATOM 1345 O LYS A 87 13.029 -2.727 -4.914 1.00 0.53 O ATOM 1346 CB LYS A 87 12.826 -0.097 -6.990 1.00 0.62 C ATOM 1347 CG LYS A 87 14.327 -0.174 -6.701 1.00 1.01 C ATOM 1348 CD LYS A 87 15.022 1.082 -7.256 1.00 1.01 C ATOM 1349 CE LYS A 87 16.054 0.735 -8.335 1.00 2.22 C ATOM 1350 NZ LYS A 87 17.376 0.410 -7.756 1.00 2.60 N ATOM 0 H LYS A 87 10.457 -0.137 -7.192 1.00 0.50 H new ATOM 0 HA LYS A 87 12.366 -2.189 -7.217 1.00 0.55 H new ATOM 0 HB2 LYS A 87 12.683 0.091 -8.054 1.00 0.62 H new ATOM 0 HB3 LYS A 87 12.410 0.758 -6.457 1.00 0.62 H new ATOM 0 HG2 LYS A 87 14.498 -0.253 -5.627 1.00 1.01 H new ATOM 0 HG3 LYS A 87 14.751 -1.069 -7.157 1.00 1.01 H new ATOM 0 HD2 LYS A 87 14.274 1.757 -7.673 1.00 1.01 H new ATOM 0 HD3 LYS A 87 15.513 1.615 -6.442 1.00 1.01 H new ATOM 0 HE2 LYS A 87 15.696 -0.113 -8.919 1.00 2.22 H new ATOM 0 HE3 LYS A 87 16.156 1.575 -9.022 1.00 2.22 H new ATOM 0 HZ1 LYS A 87 18.043 0.182 -8.520 1.00 2.60 H new ATOM 0 HZ2 LYS A 87 17.731 1.227 -7.220 1.00 2.60 H new ATOM 0 HZ3 LYS A 87 17.285 -0.408 -7.120 1.00 2.60 H new ATOM 1364 N ASN A 88 11.696 -1.076 -4.188 1.00 0.51 N ATOM 1365 CA ASN A 88 11.909 -1.349 -2.769 1.00 0.49 C ATOM 1366 C ASN A 88 11.105 -2.568 -2.306 1.00 0.57 C ATOM 1367 O ASN A 88 11.408 -3.143 -1.262 1.00 0.86 O ATOM 1368 CB ASN A 88 11.497 -0.134 -1.919 1.00 0.54 C ATOM 1369 CG ASN A 88 12.349 1.112 -2.154 1.00 0.57 C ATOM 1370 OD1 ASN A 88 13.142 1.187 -3.089 1.00 0.93 O ATOM 1371 ND2 ASN A 88 12.219 2.110 -1.289 1.00 0.95 N ATOM 0 H ASN A 88 11.058 -0.300 -4.368 1.00 0.51 H new ATOM 0 HA ASN A 88 12.971 -1.554 -2.637 1.00 0.49 H new ATOM 0 HB2 ASN A 88 10.455 0.107 -2.130 1.00 0.54 H new ATOM 0 HB3 ASN A 88 11.554 -0.406 -0.865 1.00 0.54 H new ATOM 0 HD21 ASN A 88 12.782 2.954 -1.396 1.00 0.95 H new ATOM 0 HD22 ASN A 88 11.556 2.033 -0.518 1.00 0.95 H new ATOM 1378 N ALA A 89 10.039 -2.912 -3.025 1.00 0.45 N ATOM 1379 CA ALA A 89 8.994 -3.825 -2.599 1.00 0.44 C ATOM 1380 C ALA A 89 8.311 -4.422 -3.828 1.00 0.50 C ATOM 1381 O ALA A 89 7.148 -4.122 -4.127 1.00 0.53 O ATOM 1382 CB ALA A 89 7.954 -3.069 -1.775 1.00 0.43 C ATOM 0 H ALA A 89 9.878 -2.542 -3.962 1.00 0.45 H new ATOM 0 HA ALA A 89 9.435 -4.618 -1.995 1.00 0.44 H new ATOM 0 HB1 ALA A 89 7.171 -3.758 -1.457 1.00 0.43 H new ATOM 0 HB2 ALA A 89 8.432 -2.633 -0.898 1.00 0.43 H new ATOM 0 HB3 ALA A 89 7.516 -2.276 -2.381 1.00 0.43 H new ATOM 1388 N PRO A 90 9.016 -5.281 -4.566 1.00 0.59 N ATOM 1389 CA PRO A 90 8.500 -5.829 -5.804 1.00 0.76 C ATOM 1390 C PRO A 90 7.225 -6.626 -5.529 1.00 1.00 C ATOM 1391 O PRO A 90 6.298 -6.626 -6.343 1.00 2.20 O ATOM 1392 CB PRO A 90 9.648 -6.666 -6.380 1.00 1.00 C ATOM 1393 CG PRO A 90 10.542 -6.974 -5.176 1.00 0.92 C ATOM 1394 CD PRO A 90 10.355 -5.755 -4.277 1.00 0.68 C ATOM 0 HA PRO A 90 8.202 -5.071 -6.528 1.00 0.76 H new ATOM 0 HB2 PRO A 90 9.278 -7.581 -6.844 1.00 1.00 H new ATOM 0 HB3 PRO A 90 10.193 -6.117 -7.148 1.00 1.00 H new ATOM 0 HG2 PRO A 90 10.239 -7.893 -4.675 1.00 0.92 H new ATOM 0 HG3 PRO A 90 11.584 -7.100 -5.471 1.00 0.92 H new ATOM 0 HD2 PRO A 90 10.462 -6.020 -3.225 1.00 0.68 H new ATOM 0 HD3 PRO A 90 11.100 -4.989 -4.490 1.00 0.68 H new ATOM 1402 N LYS A 91 7.175 -7.291 -4.373 1.00 0.76 N ATOM 1403 CA LYS A 91 6.112 -8.192 -3.979 1.00 0.76 C ATOM 1404 C LYS A 91 4.903 -7.402 -3.472 1.00 0.71 C ATOM 1405 O LYS A 91 3.776 -7.711 -3.852 1.00 0.83 O ATOM 1406 CB LYS A 91 6.682 -9.134 -2.913 1.00 0.78 C ATOM 1407 CG LYS A 91 6.340 -10.598 -3.165 1.00 2.67 C ATOM 1408 CD LYS A 91 7.006 -11.425 -2.062 1.00 2.67 C ATOM 1409 CE LYS A 91 6.655 -12.907 -2.222 1.00 4.07 C ATOM 1410 NZ LYS A 91 6.674 -13.615 -0.923 1.00 4.62 N ATOM 0 H LYS A 91 7.905 -7.207 -3.666 1.00 0.76 H new ATOM 0 HA LYS A 91 5.757 -8.780 -4.826 1.00 0.76 H new ATOM 0 HB2 LYS A 91 7.766 -9.021 -2.878 1.00 0.78 H new ATOM 0 HB3 LYS A 91 6.300 -8.841 -1.935 1.00 0.78 H new ATOM 0 HG2 LYS A 91 5.260 -10.746 -3.156 1.00 2.67 H new ATOM 0 HG3 LYS A 91 6.696 -10.911 -4.146 1.00 2.67 H new ATOM 0 HD2 LYS A 91 8.087 -11.294 -2.103 1.00 2.67 H new ATOM 0 HD3 LYS A 91 6.679 -11.070 -1.085 1.00 2.67 H new ATOM 0 HE2 LYS A 91 5.667 -13.001 -2.674 1.00 4.07 H new ATOM 0 HE3 LYS A 91 7.363 -13.378 -2.904 1.00 4.07 H new ATOM 0 HZ1 LYS A 91 6.432 -14.616 -1.069 1.00 4.62 H new ATOM 0 HZ2 LYS A 91 7.623 -13.546 -0.504 1.00 4.62 H new ATOM 0 HZ3 LYS A 91 5.980 -13.181 -0.281 1.00 4.62 H new ATOM 1424 N THR A 92 5.098 -6.371 -2.642 1.00 0.57 N ATOM 1425 CA THR A 92 3.968 -5.549 -2.204 1.00 0.48 C ATOM 1426 C THR A 92 3.282 -4.960 -3.426 1.00 0.53 C ATOM 1427 O THR A 92 2.062 -5.024 -3.555 1.00 0.55 O ATOM 1428 CB THR A 92 4.397 -4.413 -1.265 1.00 0.40 C ATOM 1429 OG1 THR A 92 5.291 -4.868 -0.289 1.00 0.52 O ATOM 1430 CG2 THR A 92 3.211 -3.812 -0.502 1.00 0.39 C ATOM 0 H THR A 92 6.005 -6.092 -2.268 1.00 0.57 H new ATOM 0 HA THR A 92 3.287 -6.192 -1.646 1.00 0.48 H new ATOM 0 HB THR A 92 4.857 -3.666 -1.912 1.00 0.40 H new ATOM 0 HG1 THR A 92 5.387 -4.188 0.410 1.00 0.52 H new ATOM 0 HG21 THR A 92 3.565 -3.013 0.149 1.00 0.39 H new ATOM 0 HG22 THR A 92 2.488 -3.409 -1.212 1.00 0.39 H new ATOM 0 HG23 THR A 92 2.735 -4.586 0.100 1.00 0.39 H new ATOM 1438 N PHE A 93 4.061 -4.397 -4.348 1.00 0.58 N ATOM 1439 CA PHE A 93 3.489 -3.776 -5.530 1.00 0.63 C ATOM 1440 C PHE A 93 2.691 -4.758 -6.337 1.00 0.66 C ATOM 1441 O PHE A 93 1.593 -4.439 -6.783 1.00 0.65 O ATOM 1442 CB PHE A 93 4.594 -3.230 -6.414 1.00 0.71 C ATOM 1443 CG PHE A 93 4.146 -2.172 -7.405 1.00 0.82 C ATOM 1444 CD1 PHE A 93 3.504 -2.538 -8.603 1.00 1.88 C ATOM 1445 CD2 PHE A 93 4.440 -0.820 -7.161 1.00 1.61 C ATOM 1446 CE1 PHE A 93 3.165 -1.558 -9.551 1.00 2.00 C ATOM 1447 CE2 PHE A 93 4.103 0.162 -8.106 1.00 1.71 C ATOM 1448 CZ PHE A 93 3.470 -0.207 -9.306 1.00 1.21 C ATOM 0 H PHE A 93 5.079 -4.360 -4.296 1.00 0.58 H new ATOM 0 HA PHE A 93 2.833 -2.975 -5.189 1.00 0.63 H new ATOM 0 HB2 PHE A 93 5.374 -2.808 -5.780 1.00 0.71 H new ATOM 0 HB3 PHE A 93 5.043 -4.057 -6.964 1.00 0.71 H new ATOM 0 HD1 PHE A 93 3.271 -3.575 -8.794 1.00 1.88 H new ATOM 0 HD2 PHE A 93 4.928 -0.534 -6.241 1.00 1.61 H new ATOM 0 HE1 PHE A 93 2.670 -1.842 -10.468 1.00 2.00 H new ATOM 0 HE2 PHE A 93 4.330 1.200 -7.911 1.00 1.71 H new ATOM 0 HZ PHE A 93 3.218 0.546 -10.038 1.00 1.21 H new ATOM 1458 N GLN A 94 3.265 -5.941 -6.533 1.00 0.71 N ATOM 1459 CA GLN A 94 2.567 -6.995 -7.229 1.00 0.75 C ATOM 1460 C GLN A 94 1.162 -7.151 -6.636 1.00 0.50 C ATOM 1461 O GLN A 94 0.192 -7.236 -7.383 1.00 0.44 O ATOM 1462 CB GLN A 94 3.390 -8.290 -7.182 1.00 0.96 C ATOM 1463 CG GLN A 94 2.587 -9.485 -7.702 1.00 1.67 C ATOM 1464 CD GLN A 94 3.386 -10.785 -7.655 1.00 1.97 C ATOM 1465 OE1 GLN A 94 4.611 -10.789 -7.660 1.00 1.54 O ATOM 1466 NE2 GLN A 94 2.702 -11.920 -7.596 1.00 3.03 N ATOM 0 H GLN A 94 4.205 -6.184 -6.219 1.00 0.71 H new ATOM 0 HA GLN A 94 2.446 -6.743 -8.283 1.00 0.75 H new ATOM 0 HB2 GLN A 94 4.294 -8.170 -7.780 1.00 0.96 H new ATOM 0 HB3 GLN A 94 3.709 -8.483 -6.158 1.00 0.96 H new ATOM 0 HG2 GLN A 94 1.680 -9.597 -7.108 1.00 1.67 H new ATOM 0 HG3 GLN A 94 2.274 -9.291 -8.728 1.00 1.67 H new ATOM 0 HE21 GLN A 94 1.682 -11.901 -7.593 1.00 3.03 H new ATOM 0 HE22 GLN A 94 3.196 -12.811 -7.554 1.00 3.03 H new ATOM 1475 N PHE A 95 1.046 -7.139 -5.304 1.00 0.52 N ATOM 1476 CA PHE A 95 -0.227 -7.334 -4.621 1.00 0.47 C ATOM 1477 C PHE A 95 -1.195 -6.215 -5.006 1.00 0.47 C ATOM 1478 O PHE A 95 -2.315 -6.471 -5.442 1.00 0.66 O ATOM 1479 CB PHE A 95 0.002 -7.401 -3.101 1.00 0.63 C ATOM 1480 CG PHE A 95 -1.164 -7.932 -2.288 1.00 0.88 C ATOM 1481 CD1 PHE A 95 -2.383 -7.226 -2.241 1.00 0.94 C ATOM 1482 CD2 PHE A 95 -1.019 -9.114 -1.536 1.00 1.30 C ATOM 1483 CE1 PHE A 95 -3.456 -7.714 -1.475 1.00 1.33 C ATOM 1484 CE2 PHE A 95 -2.088 -9.592 -0.757 1.00 1.63 C ATOM 1485 CZ PHE A 95 -3.309 -8.897 -0.732 1.00 1.62 C ATOM 0 H PHE A 95 1.835 -6.994 -4.674 1.00 0.52 H new ATOM 0 HA PHE A 95 -0.674 -8.279 -4.929 1.00 0.47 H new ATOM 0 HB2 PHE A 95 0.872 -8.029 -2.909 1.00 0.63 H new ATOM 0 HB3 PHE A 95 0.246 -6.401 -2.743 1.00 0.63 H new ATOM 0 HD1 PHE A 95 -2.493 -6.306 -2.796 1.00 0.94 H new ATOM 0 HD2 PHE A 95 -0.084 -9.655 -1.558 1.00 1.30 H new ATOM 0 HE1 PHE A 95 -4.394 -7.179 -1.458 1.00 1.33 H new ATOM 0 HE2 PHE A 95 -1.970 -10.495 -0.177 1.00 1.63 H new ATOM 0 HZ PHE A 95 -4.133 -9.272 -0.143 1.00 1.62 H new ATOM 1495 N ILE A 96 -0.778 -4.962 -4.825 1.00 0.56 N ATOM 1496 CA ILE A 96 -1.599 -3.790 -5.112 1.00 0.84 C ATOM 1497 C ILE A 96 -2.018 -3.745 -6.583 1.00 0.93 C ATOM 1498 O ILE A 96 -3.053 -3.173 -6.912 1.00 1.44 O ATOM 1499 CB ILE A 96 -0.843 -2.507 -4.721 1.00 1.11 C ATOM 1500 CG1 ILE A 96 -0.328 -2.505 -3.277 1.00 1.53 C ATOM 1501 CG2 ILE A 96 -1.706 -1.262 -4.962 1.00 1.37 C ATOM 1502 CD1 ILE A 96 -1.431 -2.809 -2.278 1.00 0.89 C ATOM 0 H ILE A 96 0.150 -4.732 -4.471 1.00 0.56 H new ATOM 0 HA ILE A 96 -2.509 -3.860 -4.516 1.00 0.84 H new ATOM 0 HB ILE A 96 0.033 -2.482 -5.369 1.00 1.11 H new ATOM 0 HG12 ILE A 96 0.467 -3.244 -3.175 1.00 1.53 H new ATOM 0 HG13 ILE A 96 0.109 -1.533 -3.050 1.00 1.53 H new ATOM 0 HG21 ILE A 96 -1.147 -0.371 -4.677 1.00 1.37 H new ATOM 0 HG22 ILE A 96 -1.971 -1.202 -6.018 1.00 1.37 H new ATOM 0 HG23 ILE A 96 -2.614 -1.327 -4.363 1.00 1.37 H new ATOM 0 HD11 ILE A 96 -1.021 -2.797 -1.268 1.00 0.89 H new ATOM 0 HD12 ILE A 96 -2.214 -2.055 -2.360 1.00 0.89 H new ATOM 0 HD13 ILE A 96 -1.851 -3.793 -2.488 1.00 0.89 H new ATOM 1514 N ASN A 97 -1.214 -4.293 -7.492 1.00 0.61 N ATOM 1515 CA ASN A 97 -1.582 -4.296 -8.898 1.00 0.63 C ATOM 1516 C ASN A 97 -2.607 -5.391 -9.175 1.00 0.69 C ATOM 1517 O ASN A 97 -3.443 -5.234 -10.061 1.00 0.84 O ATOM 1518 CB ASN A 97 -0.340 -4.488 -9.771 1.00 0.60 C ATOM 1519 CG ASN A 97 -0.508 -3.801 -11.122 1.00 0.76 C ATOM 1520 OD1 ASN A 97 0.262 -2.909 -11.465 1.00 1.67 O ATOM 1521 ND2 ASN A 97 -1.523 -4.157 -11.900 1.00 1.62 N ATOM 0 H ASN A 97 -0.318 -4.733 -7.281 1.00 0.61 H new ATOM 0 HA ASN A 97 -2.031 -3.334 -9.144 1.00 0.63 H new ATOM 0 HB2 ASN A 97 0.534 -4.084 -9.260 1.00 0.60 H new ATOM 0 HB3 ASN A 97 -0.158 -5.552 -9.921 1.00 0.60 H new ATOM 0 HD21 ASN A 97 -1.670 -3.688 -12.794 1.00 1.62 H new ATOM 0 HD22 ASN A 97 -2.156 -4.900 -11.604 1.00 1.62 H new ATOM 1528 N ASP A 98 -2.502 -6.512 -8.461 1.00 0.65 N ATOM 1529 CA ASP A 98 -3.419 -7.641 -8.548 1.00 0.75 C ATOM 1530 C ASP A 98 -4.820 -7.170 -8.152 1.00 0.89 C ATOM 1531 O ASP A 98 -5.785 -7.294 -8.906 1.00 1.18 O ATOM 1532 CB ASP A 98 -2.923 -8.772 -7.620 1.00 0.72 C ATOM 1533 CG ASP A 98 -2.700 -10.096 -8.348 1.00 1.00 C ATOM 1534 OD1 ASP A 98 -3.561 -10.443 -9.183 1.00 2.13 O ATOM 1535 OD2 ASP A 98 -1.672 -10.749 -8.049 1.00 1.82 O ATOM 0 H ASP A 98 -1.752 -6.661 -7.786 1.00 0.65 H new ATOM 0 HA ASP A 98 -3.458 -8.029 -9.566 1.00 0.75 H new ATOM 0 HB2 ASP A 98 -1.990 -8.463 -7.148 1.00 0.72 H new ATOM 0 HB3 ASP A 98 -3.649 -8.922 -6.821 1.00 0.72 H new ATOM 1540 N GLN A 99 -4.939 -6.600 -6.951 1.00 0.77 N ATOM 1541 CA GLN A 99 -6.201 -6.072 -6.465 1.00 0.98 C ATOM 1542 C GLN A 99 -6.479 -4.712 -7.106 1.00 1.25 C ATOM 1543 O GLN A 99 -5.998 -3.681 -6.639 1.00 2.23 O ATOM 1544 CB GLN A 99 -6.184 -5.984 -4.932 1.00 0.91 C ATOM 1545 CG GLN A 99 -6.430 -7.361 -4.297 1.00 1.08 C ATOM 1546 CD GLN A 99 -7.843 -7.884 -4.565 1.00 1.63 C ATOM 1547 OE1 GLN A 99 -8.719 -7.159 -5.018 1.00 2.52 O ATOM 1548 NE2 GLN A 99 -8.097 -9.157 -4.298 1.00 2.28 N ATOM 0 H GLN A 99 -4.164 -6.495 -6.296 1.00 0.77 H new ATOM 0 HA GLN A 99 -7.009 -6.747 -6.748 1.00 0.98 H new ATOM 0 HB2 GLN A 99 -5.223 -5.592 -4.598 1.00 0.91 H new ATOM 0 HB3 GLN A 99 -6.948 -5.283 -4.596 1.00 0.91 H new ATOM 0 HG2 GLN A 99 -5.702 -8.073 -4.687 1.00 1.08 H new ATOM 0 HG3 GLN A 99 -6.268 -7.296 -3.221 1.00 1.08 H new ATOM 0 HE21 GLN A 99 -7.362 -9.755 -3.921 1.00 2.28 H new ATOM 0 HE22 GLN A 99 -9.027 -9.538 -4.470 1.00 2.28 H new ATOM 1557 N ILE A 100 -7.281 -4.726 -8.174 1.00 1.36 N ATOM 1558 CA ILE A 100 -7.692 -3.548 -8.930 1.00 1.48 C ATOM 1559 C ILE A 100 -8.140 -2.430 -7.979 1.00 2.44 C ATOM 1560 O ILE A 100 -8.939 -2.641 -7.068 1.00 3.56 O ATOM 1561 CB ILE A 100 -8.797 -3.942 -9.930 1.00 2.63 C ATOM 1562 CG1 ILE A 100 -8.243 -4.902 -11.001 1.00 3.20 C ATOM 1563 CG2 ILE A 100 -9.389 -2.707 -10.631 1.00 4.17 C ATOM 1564 CD1 ILE A 100 -9.344 -5.783 -11.598 1.00 4.65 C ATOM 0 H ILE A 100 -7.674 -5.590 -8.546 1.00 1.36 H new ATOM 0 HA ILE A 100 -6.847 -3.159 -9.498 1.00 1.48 H new ATOM 0 HB ILE A 100 -9.583 -4.437 -9.360 1.00 2.63 H new ATOM 0 HG12 ILE A 100 -7.768 -4.326 -11.795 1.00 3.20 H new ATOM 0 HG13 ILE A 100 -7.472 -5.533 -10.560 1.00 3.20 H new ATOM 0 HG21 ILE A 100 -10.165 -3.022 -11.329 1.00 4.17 H new ATOM 0 HG22 ILE A 100 -9.820 -2.038 -9.886 1.00 4.17 H new ATOM 0 HG23 ILE A 100 -8.602 -2.185 -11.175 1.00 4.17 H new ATOM 0 HD11 ILE A 100 -8.913 -6.445 -12.349 1.00 4.65 H new ATOM 0 HD12 ILE A 100 -9.802 -6.379 -10.808 1.00 4.65 H new ATOM 0 HD13 ILE A 100 -10.102 -5.153 -12.063 1.00 4.65 H new ATOM 1576 N LYS A 101 -7.615 -1.223 -8.199 1.00 3.33 N ATOM 1577 CA LYS A 101 -7.906 -0.073 -7.358 1.00 4.90 C ATOM 1578 C LYS A 101 -9.215 0.576 -7.807 1.00 4.69 C ATOM 1579 O LYS A 101 -9.659 0.335 -8.923 1.00 4.34 O ATOM 1580 CB LYS A 101 -6.751 0.941 -7.428 1.00 6.78 C ATOM 1581 CG LYS A 101 -5.388 0.324 -7.063 1.00 8.10 C ATOM 1582 CD LYS A 101 -4.539 -0.014 -8.293 1.00 9.00 C ATOM 1583 CE LYS A 101 -4.066 1.272 -8.978 1.00 10.40 C ATOM 1584 NZ LYS A 101 -3.515 0.996 -10.321 1.00 11.37 N ATOM 0 H LYS A 101 -6.976 -1.021 -8.968 1.00 3.33 H new ATOM 0 HA LYS A 101 -8.012 -0.403 -6.325 1.00 4.90 H new ATOM 0 HB2 LYS A 101 -6.699 1.355 -8.435 1.00 6.78 H new ATOM 0 HB3 LYS A 101 -6.961 1.770 -6.753 1.00 6.78 H new ATOM 0 HG2 LYS A 101 -4.838 1.019 -6.428 1.00 8.10 H new ATOM 0 HG3 LYS A 101 -5.549 -0.582 -6.479 1.00 8.10 H new ATOM 0 HD2 LYS A 101 -3.679 -0.614 -7.997 1.00 9.00 H new ATOM 0 HD3 LYS A 101 -5.121 -0.614 -8.992 1.00 9.00 H new ATOM 0 HE2 LYS A 101 -4.900 1.969 -9.061 1.00 10.40 H new ATOM 0 HE3 LYS A 101 -3.306 1.755 -8.364 1.00 10.40 H new ATOM 0 HZ1 LYS A 101 -3.597 1.848 -10.912 1.00 11.37 H new ATOM 0 HZ2 LYS A 101 -2.514 0.728 -10.237 1.00 11.37 H new ATOM 0 HZ3 LYS A 101 -4.046 0.217 -10.761 1.00 11.37 H new ATOM 1598 N PHE A 102 -9.764 1.454 -6.959 1.00 5.52 N ATOM 1599 CA PHE A 102 -11.004 2.206 -7.156 1.00 5.69 C ATOM 1600 C PHE A 102 -12.222 1.297 -7.007 1.00 4.48 C ATOM 1601 O PHE A 102 -12.772 0.811 -7.989 1.00 4.53 O ATOM 1602 CB PHE A 102 -11.026 2.987 -8.479 1.00 6.88 C ATOM 1603 CG PHE A 102 -9.865 3.943 -8.655 1.00 8.48 C ATOM 1604 CD1 PHE A 102 -9.884 5.193 -8.009 1.00 10.05 C ATOM 1605 CD2 PHE A 102 -8.776 3.594 -9.474 1.00 8.84 C ATOM 1606 CE1 PHE A 102 -8.818 6.092 -8.184 1.00 11.80 C ATOM 1607 CE2 PHE A 102 -7.710 4.493 -9.648 1.00 10.65 C ATOM 1608 CZ PHE A 102 -7.732 5.742 -9.005 1.00 12.05 C ATOM 0 H PHE A 102 -9.326 1.670 -6.063 1.00 5.52 H new ATOM 0 HA PHE A 102 -11.048 2.958 -6.368 1.00 5.69 H new ATOM 0 HB2 PHE A 102 -11.027 2.278 -9.307 1.00 6.88 H new ATOM 0 HB3 PHE A 102 -11.958 3.549 -8.540 1.00 6.88 H new ATOM 0 HD1 PHE A 102 -10.718 5.462 -7.378 1.00 10.05 H new ATOM 0 HD2 PHE A 102 -8.759 2.634 -9.969 1.00 8.84 H new ATOM 0 HE1 PHE A 102 -8.833 7.051 -7.688 1.00 11.80 H new ATOM 0 HE2 PHE A 102 -6.874 4.224 -10.276 1.00 10.65 H new ATOM 0 HZ PHE A 102 -6.914 6.434 -9.142 1.00 12.05 H new ATOM 1618 N ILE A 103 -12.658 1.081 -5.764 1.00 3.82 N ATOM 1619 CA ILE A 103 -13.745 0.151 -5.487 1.00 2.85 C ATOM 1620 C ILE A 103 -15.117 0.821 -5.650 1.00 2.68 C ATOM 1621 O ILE A 103 -16.064 0.179 -6.090 1.00 3.19 O ATOM 1622 CB ILE A 103 -13.505 -0.527 -4.129 1.00 2.68 C ATOM 1623 CG1 ILE A 103 -14.111 -1.937 -4.065 1.00 2.69 C ATOM 1624 CG2 ILE A 103 -14.049 0.322 -2.981 1.00 3.30 C ATOM 1625 CD1 ILE A 103 -13.328 -2.947 -4.912 1.00 4.26 C ATOM 0 H ILE A 103 -12.273 1.538 -4.937 1.00 3.82 H new ATOM 0 HA ILE A 103 -13.756 -0.648 -6.228 1.00 2.85 H new ATOM 0 HB ILE A 103 -12.424 -0.621 -4.021 1.00 2.68 H new ATOM 0 HG12 ILE A 103 -14.132 -2.274 -3.029 1.00 2.69 H new ATOM 0 HG13 ILE A 103 -15.145 -1.902 -4.409 1.00 2.69 H new ATOM 0 HG21 ILE A 103 -13.864 -0.185 -2.034 1.00 3.30 H new ATOM 0 HG22 ILE A 103 -13.550 1.291 -2.977 1.00 3.30 H new ATOM 0 HG23 ILE A 103 -15.122 0.466 -3.112 1.00 3.30 H new ATOM 0 HD11 ILE A 103 -13.796 -3.928 -4.833 1.00 4.26 H new ATOM 0 HD12 ILE A 103 -13.329 -2.627 -5.954 1.00 4.26 H new ATOM 0 HD13 ILE A 103 -12.301 -3.005 -4.552 1.00 4.26 H new ATOM 1637 N ILE A 104 -15.232 2.104 -5.286 1.00 3.41 N ATOM 1638 CA ILE A 104 -16.458 2.880 -5.462 1.00 3.43 C ATOM 1639 C ILE A 104 -16.541 3.314 -6.929 1.00 3.29 C ATOM 1640 O ILE A 104 -17.439 2.895 -7.648 1.00 3.82 O ATOM 1641 CB ILE A 104 -16.484 4.068 -4.475 1.00 4.78 C ATOM 1642 CG1 ILE A 104 -16.514 3.534 -3.028 1.00 6.04 C ATOM 1643 CG2 ILE A 104 -17.699 4.973 -4.725 1.00 5.46 C ATOM 1644 CD1 ILE A 104 -16.436 4.639 -1.970 1.00 7.63 C ATOM 0 H ILE A 104 -14.471 2.632 -4.859 1.00 3.41 H new ATOM 0 HA ILE A 104 -17.340 2.281 -5.234 1.00 3.43 H new ATOM 0 HB ILE A 104 -15.584 4.664 -4.629 1.00 4.78 H new ATOM 0 HG12 ILE A 104 -17.430 2.962 -2.879 1.00 6.04 H new ATOM 0 HG13 ILE A 104 -15.681 2.845 -2.885 1.00 6.04 H new ATOM 0 HG21 ILE A 104 -17.689 5.800 -4.015 1.00 5.46 H new ATOM 0 HG22 ILE A 104 -17.657 5.367 -5.741 1.00 5.46 H new ATOM 0 HG23 ILE A 104 -18.615 4.396 -4.597 1.00 5.46 H new ATOM 0 HD11 ILE A 104 -16.462 4.193 -0.976 1.00 7.63 H new ATOM 0 HD12 ILE A 104 -15.507 5.196 -2.094 1.00 7.63 H new ATOM 0 HD13 ILE A 104 -17.283 5.315 -2.087 1.00 7.63 H new ATOM 1656 N ASN A 105 -15.571 4.128 -7.364 1.00 3.98 N ATOM 1657 CA ASN A 105 -15.416 4.624 -8.729 1.00 4.99 C ATOM 1658 C ASN A 105 -16.629 5.419 -9.227 1.00 5.24 C ATOM 1659 O ASN A 105 -17.463 4.881 -9.955 1.00 5.43 O ATOM 1660 CB ASN A 105 -15.041 3.475 -9.676 1.00 5.77 C ATOM 1661 CG ASN A 105 -14.508 4.016 -10.995 1.00 7.13 C ATOM 1662 OD1 ASN A 105 -13.310 3.975 -11.244 1.00 8.17 O ATOM 1663 ND2 ASN A 105 -15.364 4.564 -11.845 1.00 7.60 N ATOM 0 H ASN A 105 -14.841 4.472 -6.741 1.00 3.98 H new ATOM 0 HA ASN A 105 -14.595 5.340 -8.720 1.00 4.99 H new ATOM 0 HB2 ASN A 105 -14.288 2.841 -9.207 1.00 5.77 H new ATOM 0 HB3 ASN A 105 -15.914 2.849 -9.860 1.00 5.77 H new ATOM 0 HD21 ASN A 105 -15.028 4.960 -12.723 1.00 7.60 H new ATOM 0 HD22 ASN A 105 -16.359 4.590 -11.622 1.00 7.60 H new ATOM 1670 N SER A 106 -16.654 6.709 -8.881 1.00 6.05 N ATOM 1671 CA SER A 106 -17.681 7.707 -9.174 1.00 6.83 C ATOM 1672 C SER A 106 -18.662 7.712 -8.013 1.00 7.20 C ATOM 1673 O SER A 106 -19.875 7.833 -8.278 1.00 7.65 O ATOM 1674 CB SER A 106 -18.379 7.511 -10.523 1.00 7.39 C ATOM 1675 OG SER A 106 -17.427 7.545 -11.575 1.00 8.00 O ATOM 1676 OXT SER A 106 -18.153 7.612 -6.872 1.00 7.58 O ATOM 0 H SER A 106 -15.889 7.115 -8.342 1.00 6.05 H new ATOM 0 HA SER A 106 -17.201 8.680 -9.275 1.00 6.83 H new ATOM 0 HB2 SER A 106 -18.908 6.558 -10.532 1.00 7.39 H new ATOM 0 HB3 SER A 106 -19.125 8.292 -10.672 1.00 7.39 H new ATOM 0 HG SER A 106 -17.883 7.417 -12.433 1.00 8.00 H new TER 1682 SER A 106