USER MOD reduce.3.24.130724 H: found=0, std=0, add=827, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 829 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 59 SER OG : rot -81:sc= 1.75 USER MOD Set 1.2: A 94 HIS : +bothHN:sc= -0.685 K(o=-0.13,f=-6.5!) USER MOD Set 1.3: A 105 TYR OH : rot 120:sc= -1.2 USER MOD Set 2.1: A 23 THR OG1 : rot -18:sc= 1.15 USER MOD Set 2.2: A 74 HIS : no HD1:sc=-0.00179 K(o=1.1,f=0.62) USER MOD Set 3.1: A 39 ASN : amide:sc= -2.7! C(o=-1.6!,f=-3.4!) USER MOD Set 3.2: A 47 THR OG1 : rot -57:sc= 1.07 USER MOD Set 4.1: A 37 TYR OH : rot 30:sc= 0.23 USER MOD Set 4.2: A 77 ASN : amide:sc= -1.52 X(o=-1.3,f=-1.7!) USER MOD Single : A 2 TYR OH : rot 130:sc= 0.0733 USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0842) USER MOD Single : A 18 THR OG1 : rot -2:sc= 0.87 USER MOD Single : A 24 ASN : amide:sc= -0.193 K(o=-0.19,f=-2.7!) USER MOD Single : A 25 LYS NZ :NH3+ 140:sc= 0.959 (180deg=0.705) USER MOD Single : A 26 THR OG1 : rot 130:sc= -0.46 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 34 ASN :FLIP amide:sc= -0.0121 F(o=-0.74,f=-0.012) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -0.505 K(o=-0.5,f=-7.1!) USER MOD Single : A 56 LYS NZ :NH3+ -112:sc= 0.658 (180deg=-0.566!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc=-0.00616 USER MOD Single : A 70 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.26) USER MOD Single : A 71 THR OG1 : rot 36:sc= 0.101 USER MOD Single : A 72 CYS SG : rot -39:sc= -2.91! USER MOD Single : A 75 TYR OH : rot 110:sc=-0.00568 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -1.51 X(o=-1.5,f=-1.8) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0265 USER MOD Single : A 98 SER OG : rot 170:sc= -0.787 USER MOD Single : A 107 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N TYR A 2 -7.580 -7.499 9.798 1.00 0.00 N ATOM 21 CA TYR A 2 -6.976 -6.648 8.790 1.00 0.00 C ATOM 22 C TYR A 2 -7.758 -6.702 7.478 1.00 0.00 C ATOM 23 O TYR A 2 -8.811 -7.341 7.394 1.00 0.00 O ATOM 24 CB TYR A 2 -5.531 -7.071 8.544 1.00 0.00 C ATOM 25 CG TYR A 2 -4.709 -7.235 9.804 1.00 0.00 C ATOM 26 CD1 TYR A 2 -4.094 -6.146 10.408 1.00 0.00 C ATOM 27 CD2 TYR A 2 -4.538 -8.487 10.379 1.00 0.00 C ATOM 28 CE1 TYR A 2 -3.332 -6.304 11.552 1.00 0.00 C ATOM 29 CE2 TYR A 2 -3.784 -8.653 11.521 1.00 0.00 C ATOM 30 CZ TYR A 2 -3.180 -7.561 12.105 1.00 0.00 C ATOM 31 OH TYR A 2 -2.421 -7.731 13.243 1.00 0.00 O ATOM 0 HA TYR A 2 -6.998 -5.623 9.160 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -5.528 -8.014 7.997 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.051 -6.330 7.905 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -4.212 -5.162 9.979 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.005 -9.348 9.923 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -2.858 -5.449 12.011 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -3.667 -9.635 11.956 1.00 0.00 H new ATOM 0 HH TYR A 2 -2.931 -8.247 13.902 1.00 0.00 H new ATOM 41 N LEU A 3 -7.239 -6.013 6.469 1.00 0.00 N ATOM 42 CA LEU A 3 -7.828 -6.017 5.135 1.00 0.00 C ATOM 43 C LEU A 3 -7.111 -7.020 4.246 1.00 0.00 C ATOM 44 O LEU A 3 -5.971 -7.396 4.514 1.00 0.00 O ATOM 45 CB LEU A 3 -7.735 -4.631 4.496 1.00 0.00 C ATOM 46 CG LEU A 3 -8.330 -3.481 5.309 1.00 0.00 C ATOM 47 CD1 LEU A 3 -8.295 -2.194 4.496 1.00 0.00 C ATOM 48 CD2 LEU A 3 -9.754 -3.811 5.743 1.00 0.00 C ATOM 0 H LEU A 3 -6.401 -5.438 6.551 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.877 -6.296 5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -6.685 -4.410 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.236 -4.664 3.528 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.730 -3.339 6.208 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.721 -1.381 5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.263 -1.954 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.876 -2.325 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -10.160 -2.980 6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.374 -3.978 4.862 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -9.748 -4.711 6.358 1.00 0.00 H new ATOM 60 N ARG A 4 -7.776 -7.435 3.182 1.00 0.00 N ATOM 61 CA ARG A 4 -7.198 -8.386 2.248 1.00 0.00 C ATOM 62 C ARG A 4 -6.402 -7.640 1.183 1.00 0.00 C ATOM 63 O ARG A 4 -6.717 -6.492 0.870 1.00 0.00 O ATOM 64 CB ARG A 4 -8.311 -9.221 1.607 1.00 0.00 C ATOM 65 CG ARG A 4 -9.242 -9.850 2.630 1.00 0.00 C ATOM 66 CD ARG A 4 -10.354 -10.646 1.971 1.00 0.00 C ATOM 67 NE ARG A 4 -9.870 -11.896 1.384 1.00 0.00 N ATOM 68 CZ ARG A 4 -10.657 -12.774 0.762 1.00 0.00 C ATOM 69 NH1 ARG A 4 -11.950 -12.516 0.600 1.00 0.00 N ATOM 70 NH2 ARG A 4 -10.155 -13.909 0.290 1.00 0.00 N ATOM 0 H ARG A 4 -8.719 -7.128 2.943 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.523 -9.057 2.779 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.892 -8.589 0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.864 -10.007 0.998 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -8.669 -10.503 3.288 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -9.676 -9.069 3.254 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -11.125 -10.868 2.709 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -10.821 -10.040 1.195 1.00 0.00 H new ATOM 0 HE ARG A 4 -8.875 -12.107 1.455 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.344 -11.644 0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.549 -13.190 0.124 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.162 -14.113 0.402 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.762 -14.577 -0.185 1.00 0.00 H new ATOM 84 N PRO A 5 -5.355 -8.271 0.621 1.00 0.00 N ATOM 85 CA PRO A 5 -4.486 -7.637 -0.384 1.00 0.00 C ATOM 86 C PRO A 5 -5.277 -7.110 -1.577 1.00 0.00 C ATOM 87 O PRO A 5 -5.073 -5.983 -2.027 1.00 0.00 O ATOM 88 CB PRO A 5 -3.544 -8.770 -0.823 1.00 0.00 C ATOM 89 CG PRO A 5 -4.176 -10.028 -0.328 1.00 0.00 C ATOM 90 CD PRO A 5 -4.931 -9.649 0.912 1.00 0.00 C ATOM 0 HA PRO A 5 -3.963 -6.771 0.022 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.430 -8.788 -1.907 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.548 -8.638 -0.400 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.844 -10.451 -1.078 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.422 -10.784 -0.110 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.783 -10.307 1.085 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.302 -9.701 1.801 1.00 0.00 H new ATOM 98 N ASP A 6 -6.186 -7.938 -2.074 1.00 0.00 N ATOM 99 CA ASP A 6 -7.049 -7.566 -3.191 1.00 0.00 C ATOM 100 C ASP A 6 -7.899 -6.346 -2.842 1.00 0.00 C ATOM 101 O ASP A 6 -8.125 -5.471 -3.683 1.00 0.00 O ATOM 102 CB ASP A 6 -7.945 -8.748 -3.574 1.00 0.00 C ATOM 103 CG ASP A 6 -9.002 -8.383 -4.597 1.00 0.00 C ATOM 104 OD1 ASP A 6 -8.696 -8.396 -5.811 1.00 0.00 O ATOM 105 OD2 ASP A 6 -10.146 -8.091 -4.188 1.00 0.00 O ATOM 0 H ASP A 6 -6.347 -8.880 -1.718 1.00 0.00 H new ATOM 0 HA ASP A 6 -6.419 -7.306 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.326 -9.553 -3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -8.432 -9.133 -2.678 1.00 0.00 H new ATOM 110 N GLU A 7 -8.342 -6.284 -1.591 1.00 0.00 N ATOM 111 CA GLU A 7 -9.175 -5.184 -1.118 1.00 0.00 C ATOM 112 C GLU A 7 -8.380 -3.884 -1.125 1.00 0.00 C ATOM 113 O GLU A 7 -8.883 -2.836 -1.541 1.00 0.00 O ATOM 114 CB GLU A 7 -9.693 -5.479 0.294 1.00 0.00 C ATOM 115 CG GLU A 7 -10.786 -4.529 0.754 1.00 0.00 C ATOM 116 CD GLU A 7 -11.600 -5.104 1.892 1.00 0.00 C ATOM 117 OE1 GLU A 7 -12.559 -5.853 1.614 1.00 0.00 O ATOM 118 OE2 GLU A 7 -11.289 -4.819 3.064 1.00 0.00 O ATOM 0 H GLU A 7 -8.136 -6.988 -0.882 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.028 -5.078 -1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.074 -6.500 0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.860 -5.427 0.995 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.337 -3.587 1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.445 -4.303 -0.084 1.00 0.00 H new ATOM 125 N VAL A 8 -7.132 -3.968 -0.674 1.00 0.00 N ATOM 126 CA VAL A 8 -6.231 -2.820 -0.667 1.00 0.00 C ATOM 127 C VAL A 8 -6.019 -2.296 -2.084 1.00 0.00 C ATOM 128 O VAL A 8 -6.102 -1.091 -2.333 1.00 0.00 O ATOM 129 CB VAL A 8 -4.864 -3.189 -0.045 1.00 0.00 C ATOM 130 CG1 VAL A 8 -3.916 -1.996 -0.056 1.00 0.00 C ATOM 131 CG2 VAL A 8 -5.040 -3.706 1.374 1.00 0.00 C ATOM 0 H VAL A 8 -6.719 -4.825 -0.306 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.694 -2.042 -0.060 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.426 -3.980 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.963 -2.285 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.754 -1.669 -1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.352 -1.180 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.066 -3.960 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.509 -2.936 1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.672 -4.594 1.362 1.00 0.00 H new ATOM 141 N ALA A 9 -5.770 -3.214 -3.012 1.00 0.00 N ATOM 142 CA ALA A 9 -5.541 -2.859 -4.406 1.00 0.00 C ATOM 143 C ALA A 9 -6.745 -2.134 -4.996 1.00 0.00 C ATOM 144 O ALA A 9 -6.591 -1.142 -5.710 1.00 0.00 O ATOM 145 CB ALA A 9 -5.214 -4.100 -5.222 1.00 0.00 C ATOM 0 H ALA A 9 -5.722 -4.215 -2.821 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.689 -2.180 -4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.046 -3.818 -6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.315 -4.571 -4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.046 -4.802 -5.167 1.00 0.00 H new ATOM 151 N ARG A 10 -7.945 -2.624 -4.686 1.00 0.00 N ATOM 152 CA ARG A 10 -9.174 -2.007 -5.181 1.00 0.00 C ATOM 153 C ARG A 10 -9.293 -0.559 -4.701 1.00 0.00 C ATOM 154 O ARG A 10 -9.670 0.326 -5.466 1.00 0.00 O ATOM 155 CB ARG A 10 -10.405 -2.809 -4.744 1.00 0.00 C ATOM 156 CG ARG A 10 -11.718 -2.191 -5.203 1.00 0.00 C ATOM 157 CD ARG A 10 -12.922 -2.971 -4.709 1.00 0.00 C ATOM 158 NE ARG A 10 -13.117 -4.221 -5.439 1.00 0.00 N ATOM 159 CZ ARG A 10 -13.946 -5.185 -5.045 1.00 0.00 C ATOM 160 NH1 ARG A 10 -14.614 -5.065 -3.906 1.00 0.00 N ATOM 161 NH2 ARG A 10 -14.106 -6.271 -5.785 1.00 0.00 N ATOM 0 H ARG A 10 -8.092 -3.443 -4.097 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.128 -2.008 -6.270 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.330 -3.822 -5.140 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -10.410 -2.891 -3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -11.780 -1.164 -4.843 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.737 -2.149 -6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.799 -3.189 -3.648 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.815 -2.354 -4.806 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.588 -4.363 -6.299 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.493 -4.232 -3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.249 -5.805 -3.607 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.593 -6.371 -6.661 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -14.742 -7.007 -5.479 1.00 0.00 H new ATOM 175 N VAL A 11 -8.957 -0.324 -3.435 1.00 0.00 N ATOM 176 CA VAL A 11 -9.025 1.019 -2.864 1.00 0.00 C ATOM 177 C VAL A 11 -8.069 1.963 -3.598 1.00 0.00 C ATOM 178 O VAL A 11 -8.404 3.118 -3.867 1.00 0.00 O ATOM 179 CB VAL A 11 -8.705 1.012 -1.349 1.00 0.00 C ATOM 180 CG1 VAL A 11 -8.693 2.426 -0.785 1.00 0.00 C ATOM 181 CG2 VAL A 11 -9.710 0.152 -0.595 1.00 0.00 C ATOM 0 H VAL A 11 -8.636 -1.043 -2.787 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.047 1.377 -2.990 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.711 0.585 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.466 2.391 0.280 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.934 3.016 -1.299 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.671 2.885 -0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.469 0.159 0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.713 0.551 -0.743 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.668 -0.871 -0.970 1.00 0.00 H new ATOM 191 N LEU A 12 -6.886 1.457 -3.935 1.00 0.00 N ATOM 192 CA LEU A 12 -5.906 2.229 -4.691 1.00 0.00 C ATOM 193 C LEU A 12 -6.470 2.643 -6.050 1.00 0.00 C ATOM 194 O LEU A 12 -6.374 3.809 -6.446 1.00 0.00 O ATOM 195 CB LEU A 12 -4.624 1.420 -4.880 1.00 0.00 C ATOM 196 CG LEU A 12 -3.891 1.062 -3.587 1.00 0.00 C ATOM 197 CD1 LEU A 12 -2.667 0.217 -3.886 1.00 0.00 C ATOM 198 CD2 LEU A 12 -3.493 2.321 -2.833 1.00 0.00 C ATOM 0 H LEU A 12 -6.583 0.513 -3.695 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.675 3.131 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.868 0.499 -5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.946 1.985 -5.520 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.567 0.482 -2.959 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.158 -0.028 -2.954 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.973 -0.702 -4.385 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.990 0.774 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.972 2.046 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.835 2.926 -3.457 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.386 2.895 -2.586 1.00 0.00 H new ATOM 210 N GLU A 13 -7.057 1.684 -6.761 1.00 0.00 N ATOM 211 CA GLU A 13 -7.669 1.954 -8.052 1.00 0.00 C ATOM 212 C GLU A 13 -8.789 2.979 -7.914 1.00 0.00 C ATOM 213 O GLU A 13 -8.917 3.890 -8.731 1.00 0.00 O ATOM 214 CB GLU A 13 -8.224 0.667 -8.644 1.00 0.00 C ATOM 215 CG GLU A 13 -7.181 -0.411 -8.869 1.00 0.00 C ATOM 216 CD GLU A 13 -7.783 -1.657 -9.476 1.00 0.00 C ATOM 217 OE1 GLU A 13 -8.327 -2.486 -8.723 1.00 0.00 O ATOM 218 OE2 GLU A 13 -7.736 -1.798 -10.718 1.00 0.00 O ATOM 0 H GLU A 13 -7.120 0.711 -6.461 1.00 0.00 H new ATOM 0 HA GLU A 13 -6.905 2.359 -8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.996 0.278 -7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.706 0.895 -9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.399 -0.029 -9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.707 -0.662 -7.920 1.00 0.00 H new ATOM 225 N LYS A 14 -9.586 2.817 -6.863 1.00 0.00 N ATOM 226 CA LYS A 14 -10.709 3.706 -6.586 1.00 0.00 C ATOM 227 C LYS A 14 -10.228 5.140 -6.390 1.00 0.00 C ATOM 228 O LYS A 14 -10.815 6.088 -6.917 1.00 0.00 O ATOM 229 CB LYS A 14 -11.435 3.239 -5.328 1.00 0.00 C ATOM 230 CG LYS A 14 -12.858 3.759 -5.212 1.00 0.00 C ATOM 231 CD LYS A 14 -13.504 3.332 -3.906 1.00 0.00 C ATOM 232 CE LYS A 14 -14.962 3.758 -3.833 1.00 0.00 C ATOM 233 NZ LYS A 14 -15.124 5.235 -3.899 1.00 0.00 N ATOM 0 H LYS A 14 -9.472 2.068 -6.181 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.389 3.678 -7.438 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -11.454 2.149 -5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -10.869 3.559 -4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.855 4.847 -5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.450 3.390 -6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.436 2.249 -3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.956 3.766 -3.070 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.514 3.298 -4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.400 3.388 -2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.119 5.483 -3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.526 5.683 -3.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.841 5.574 -4.841 1.00 0.00 H new ATOM 247 N ALA A 15 -9.154 5.281 -5.621 1.00 0.00 N ATOM 248 CA ALA A 15 -8.556 6.585 -5.352 1.00 0.00 C ATOM 249 C ALA A 15 -8.051 7.245 -6.634 1.00 0.00 C ATOM 250 O ALA A 15 -8.073 8.470 -6.764 1.00 0.00 O ATOM 251 CB ALA A 15 -7.424 6.447 -4.343 1.00 0.00 C ATOM 0 H ALA A 15 -8.676 4.501 -5.169 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.330 7.228 -4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.986 7.427 -4.151 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.814 6.035 -3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.660 5.780 -4.742 1.00 0.00 H new ATOM 257 N GLY A 16 -7.597 6.428 -7.580 1.00 0.00 N ATOM 258 CA GLY A 16 -7.129 6.953 -8.850 1.00 0.00 C ATOM 259 C GLY A 16 -5.691 6.577 -9.157 1.00 0.00 C ATOM 260 O GLY A 16 -5.025 7.247 -9.942 1.00 0.00 O ATOM 0 H GLY A 16 -7.545 5.413 -7.490 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -7.773 6.584 -9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.221 8.039 -8.843 1.00 0.00 H new ATOM 264 N PHE A 17 -5.211 5.507 -8.545 1.00 0.00 N ATOM 265 CA PHE A 17 -3.840 5.060 -8.757 1.00 0.00 C ATOM 266 C PHE A 17 -3.712 4.222 -10.026 1.00 0.00 C ATOM 267 O PHE A 17 -4.711 3.791 -10.604 1.00 0.00 O ATOM 268 CB PHE A 17 -3.356 4.245 -7.563 1.00 0.00 C ATOM 269 CG PHE A 17 -2.896 5.075 -6.396 1.00 0.00 C ATOM 270 CD1 PHE A 17 -3.808 5.754 -5.601 1.00 0.00 C ATOM 271 CD2 PHE A 17 -1.546 5.170 -6.092 1.00 0.00 C ATOM 272 CE1 PHE A 17 -3.380 6.514 -4.527 1.00 0.00 C ATOM 273 CE2 PHE A 17 -1.115 5.929 -5.020 1.00 0.00 C ATOM 274 CZ PHE A 17 -2.033 6.602 -4.237 1.00 0.00 C ATOM 0 H PHE A 17 -5.748 4.931 -7.897 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.222 5.951 -8.868 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.163 3.590 -7.233 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.535 3.603 -7.884 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.863 5.689 -5.823 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.824 4.645 -6.700 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.099 7.038 -3.916 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.061 5.996 -4.795 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.698 7.196 -3.400 1.00 0.00 H new ATOM 284 N THR A 18 -2.475 3.997 -10.450 1.00 0.00 N ATOM 285 CA THR A 18 -2.201 3.179 -11.622 1.00 0.00 C ATOM 286 C THR A 18 -1.210 2.066 -11.280 1.00 0.00 C ATOM 287 O THR A 18 -0.525 2.137 -10.259 1.00 0.00 O ATOM 288 CB THR A 18 -1.661 4.034 -12.789 1.00 0.00 C ATOM 289 OG1 THR A 18 -0.530 4.814 -12.368 1.00 0.00 O ATOM 290 CG2 THR A 18 -2.743 4.961 -13.326 1.00 0.00 C ATOM 0 H THR A 18 -1.642 4.372 -9.996 1.00 0.00 H new ATOM 0 HA THR A 18 -3.141 2.728 -11.939 1.00 0.00 H new ATOM 0 HB THR A 18 -1.350 3.353 -13.581 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.364 4.661 -11.414 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.340 5.553 -14.147 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.585 4.368 -13.685 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.080 5.626 -12.531 1.00 0.00 H new ATOM 298 N VAL A 19 -1.131 1.048 -12.129 1.00 0.00 N ATOM 299 CA VAL A 19 -0.289 -0.111 -11.854 1.00 0.00 C ATOM 300 C VAL A 19 1.162 0.139 -12.286 1.00 0.00 C ATOM 301 O VAL A 19 1.420 0.777 -13.309 1.00 0.00 O ATOM 302 CB VAL A 19 -0.851 -1.378 -12.547 1.00 0.00 C ATOM 303 CG1 VAL A 19 -0.829 -1.234 -14.060 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.099 -2.629 -12.109 1.00 0.00 C ATOM 0 H VAL A 19 -1.639 1.001 -13.012 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.296 -0.275 -10.776 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.890 -1.487 -12.236 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.229 -2.139 -14.517 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.438 -0.379 -14.353 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.197 -1.081 -14.396 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.517 -3.500 -12.613 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.955 -2.530 -12.370 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.196 -2.753 -11.030 1.00 0.00 H new ATOM 314 N ASP A 20 2.100 -0.347 -11.482 1.00 0.00 N ATOM 315 CA ASP A 20 3.526 -0.189 -11.756 1.00 0.00 C ATOM 316 C ASP A 20 4.109 -1.472 -12.343 1.00 0.00 C ATOM 317 O ASP A 20 4.847 -1.434 -13.327 1.00 0.00 O ATOM 318 CB ASP A 20 4.272 0.181 -10.467 1.00 0.00 C ATOM 319 CG ASP A 20 5.781 0.250 -10.643 1.00 0.00 C ATOM 320 OD1 ASP A 20 6.457 -0.786 -10.463 1.00 0.00 O ATOM 321 OD2 ASP A 20 6.303 1.344 -10.940 1.00 0.00 O ATOM 0 H ASP A 20 1.896 -0.860 -10.624 1.00 0.00 H new ATOM 0 HA ASP A 20 3.649 0.612 -12.484 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.910 1.146 -10.110 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.036 -0.553 -9.696 1.00 0.00 H new ATOM 326 N VAL A 21 3.750 -2.603 -11.747 1.00 0.00 N ATOM 327 CA VAL A 21 4.310 -3.894 -12.133 1.00 0.00 C ATOM 328 C VAL A 21 3.480 -5.018 -11.519 1.00 0.00 C ATOM 329 O VAL A 21 2.758 -4.791 -10.552 1.00 0.00 O ATOM 330 CB VAL A 21 5.785 -4.016 -11.657 1.00 0.00 C ATOM 331 CG1 VAL A 21 5.876 -4.000 -10.134 1.00 0.00 C ATOM 332 CG2 VAL A 21 6.454 -5.262 -12.224 1.00 0.00 C ATOM 0 H VAL A 21 3.069 -2.652 -10.989 1.00 0.00 H new ATOM 0 HA VAL A 21 4.286 -3.972 -13.220 1.00 0.00 H new ATOM 0 HB VAL A 21 6.321 -3.147 -12.038 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.919 -4.087 -9.831 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.465 -3.065 -9.755 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.309 -4.837 -9.727 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.484 -5.315 -11.871 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.911 -6.148 -11.895 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.446 -5.216 -13.313 1.00 0.00 H new ATOM 342 N VAL A 22 3.543 -6.214 -12.081 1.00 0.00 N ATOM 343 CA VAL A 22 2.934 -7.357 -11.423 1.00 0.00 C ATOM 344 C VAL A 22 3.989 -8.427 -11.171 1.00 0.00 C ATOM 345 O VAL A 22 4.786 -8.764 -12.052 1.00 0.00 O ATOM 346 CB VAL A 22 1.729 -7.959 -12.201 1.00 0.00 C ATOM 347 CG1 VAL A 22 0.916 -6.870 -12.882 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.158 -9.030 -13.199 1.00 0.00 C ATOM 0 H VAL A 22 3.999 -6.416 -12.971 1.00 0.00 H new ATOM 0 HA VAL A 22 2.530 -6.994 -10.478 1.00 0.00 H new ATOM 0 HB VAL A 22 1.092 -8.450 -11.465 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.081 -7.321 -13.418 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.534 -6.178 -12.132 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.549 -6.330 -13.586 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.280 -9.418 -13.716 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.845 -8.596 -13.926 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.656 -9.842 -12.669 1.00 0.00 H new ATOM 358 N THR A 23 4.032 -8.901 -9.945 1.00 0.00 N ATOM 359 CA THR A 23 4.887 -10.010 -9.581 1.00 0.00 C ATOM 360 C THR A 23 4.095 -10.933 -8.679 1.00 0.00 C ATOM 361 O THR A 23 3.126 -10.494 -8.054 1.00 0.00 O ATOM 362 CB THR A 23 6.173 -9.545 -8.861 1.00 0.00 C ATOM 363 OG1 THR A 23 5.843 -8.750 -7.719 1.00 0.00 O ATOM 364 CG2 THR A 23 7.071 -8.745 -9.795 1.00 0.00 C ATOM 0 H THR A 23 3.477 -8.530 -9.174 1.00 0.00 H new ATOM 0 HA THR A 23 5.203 -10.523 -10.489 1.00 0.00 H new ATOM 0 HB THR A 23 6.713 -10.436 -8.541 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.920 -8.432 -7.798 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.967 -8.432 -9.259 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.355 -9.364 -10.646 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.535 -7.865 -10.150 1.00 0.00 H new ATOM 372 N ASN A 24 4.483 -12.195 -8.606 1.00 0.00 N ATOM 373 CA ASN A 24 3.752 -13.156 -7.789 1.00 0.00 C ATOM 374 C ASN A 24 3.806 -12.747 -6.322 1.00 0.00 C ATOM 375 O ASN A 24 2.943 -13.116 -5.526 1.00 0.00 O ATOM 376 CB ASN A 24 4.320 -14.573 -7.944 1.00 0.00 C ATOM 377 CG ASN A 24 4.179 -15.124 -9.350 1.00 0.00 C ATOM 378 OD1 ASN A 24 4.215 -14.382 -10.331 1.00 0.00 O ATOM 379 ND2 ASN A 24 4.021 -16.432 -9.460 1.00 0.00 N ATOM 0 H ASN A 24 5.291 -12.578 -9.096 1.00 0.00 H new ATOM 0 HA ASN A 24 2.718 -13.161 -8.133 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.374 -14.567 -7.667 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.812 -15.239 -7.247 1.00 0.00 H new ATOM 0 HD21 ASN A 24 3.924 -16.858 -10.382 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.996 -17.015 -8.623 1.00 0.00 H new ATOM 386 N LYS A 25 4.831 -11.976 -5.978 1.00 0.00 N ATOM 387 CA LYS A 25 5.024 -11.509 -4.613 1.00 0.00 C ATOM 388 C LYS A 25 4.267 -10.216 -4.324 1.00 0.00 C ATOM 389 O LYS A 25 3.875 -9.978 -3.185 1.00 0.00 O ATOM 390 CB LYS A 25 6.511 -11.309 -4.321 1.00 0.00 C ATOM 391 CG LYS A 25 7.236 -12.598 -3.981 1.00 0.00 C ATOM 392 CD LYS A 25 8.725 -12.365 -3.791 1.00 0.00 C ATOM 393 CE LYS A 25 9.397 -13.561 -3.140 1.00 0.00 C ATOM 394 NZ LYS A 25 9.008 -13.702 -1.708 1.00 0.00 N ATOM 0 H LYS A 25 5.546 -11.660 -6.633 1.00 0.00 H new ATOM 0 HA LYS A 25 4.620 -12.281 -3.958 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.986 -10.851 -5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.620 -10.610 -3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.814 -13.025 -3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.079 -13.326 -4.777 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.189 -12.167 -4.757 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.880 -11.479 -3.175 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.128 -14.468 -3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.479 -13.455 -3.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.868 -14.708 -1.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.761 -13.314 -1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.124 -13.182 -1.536 1.00 0.00 H new ATOM 408 N THR A 26 4.045 -9.377 -5.330 1.00 0.00 N ATOM 409 CA THR A 26 3.429 -8.081 -5.073 1.00 0.00 C ATOM 410 C THR A 26 2.917 -7.404 -6.347 1.00 0.00 C ATOM 411 O THR A 26 3.452 -7.601 -7.442 1.00 0.00 O ATOM 412 CB THR A 26 4.419 -7.134 -4.339 1.00 0.00 C ATOM 413 OG1 THR A 26 3.795 -5.882 -4.049 1.00 0.00 O ATOM 414 CG2 THR A 26 5.671 -6.885 -5.164 1.00 0.00 C ATOM 0 H THR A 26 4.275 -9.563 -6.306 1.00 0.00 H new ATOM 0 HA THR A 26 2.567 -8.274 -4.435 1.00 0.00 H new ATOM 0 HB THR A 26 4.705 -7.627 -3.410 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.933 -5.659 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.339 -6.219 -4.619 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.177 -7.832 -5.352 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.396 -6.426 -6.113 1.00 0.00 H new ATOM 422 N TYR A 27 1.856 -6.623 -6.183 1.00 0.00 N ATOM 423 CA TYR A 27 1.348 -5.761 -7.239 1.00 0.00 C ATOM 424 C TYR A 27 1.953 -4.374 -7.101 1.00 0.00 C ATOM 425 O TYR A 27 1.725 -3.691 -6.105 1.00 0.00 O ATOM 426 CB TYR A 27 -0.173 -5.622 -7.162 1.00 0.00 C ATOM 427 CG TYR A 27 -0.956 -6.858 -7.524 1.00 0.00 C ATOM 428 CD1 TYR A 27 -1.335 -7.095 -8.837 1.00 0.00 C ATOM 429 CD2 TYR A 27 -1.342 -7.771 -6.553 1.00 0.00 C ATOM 430 CE1 TYR A 27 -2.076 -8.207 -9.176 1.00 0.00 C ATOM 431 CE2 TYR A 27 -2.080 -8.891 -6.881 1.00 0.00 C ATOM 432 CZ TYR A 27 -2.447 -9.106 -8.193 1.00 0.00 C ATOM 433 OH TYR A 27 -3.194 -10.217 -8.521 1.00 0.00 O ATOM 0 H TYR A 27 1.325 -6.571 -5.314 1.00 0.00 H new ATOM 0 HA TYR A 27 1.620 -6.213 -8.193 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.443 -5.326 -6.148 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.480 -4.812 -7.823 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -1.044 -6.396 -9.607 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.061 -7.603 -5.524 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -2.365 -8.375 -10.203 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.368 -9.595 -6.114 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.367 -10.745 -7.714 1.00 0.00 H new ATOM 443 N GLY A 28 2.715 -3.959 -8.091 1.00 0.00 N ATOM 444 CA GLY A 28 3.273 -2.629 -8.076 1.00 0.00 C ATOM 445 C GLY A 28 2.225 -1.596 -8.407 1.00 0.00 C ATOM 446 O GLY A 28 1.430 -1.789 -9.325 1.00 0.00 O ATOM 0 H GLY A 28 2.959 -4.519 -8.908 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.696 -2.420 -7.094 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.090 -2.566 -8.795 1.00 0.00 H new ATOM 450 N TYR A 29 2.220 -0.508 -7.665 1.00 0.00 N ATOM 451 CA TYR A 29 1.231 0.540 -7.841 1.00 0.00 C ATOM 452 C TYR A 29 1.879 1.912 -7.687 1.00 0.00 C ATOM 453 O TYR A 29 2.790 2.090 -6.881 1.00 0.00 O ATOM 454 CB TYR A 29 0.102 0.346 -6.829 1.00 0.00 C ATOM 455 CG TYR A 29 -1.085 -0.411 -7.384 1.00 0.00 C ATOM 456 CD1 TYR A 29 -1.144 -1.799 -7.320 1.00 0.00 C ATOM 457 CD2 TYR A 29 -2.140 0.265 -7.981 1.00 0.00 C ATOM 458 CE1 TYR A 29 -2.225 -2.490 -7.835 1.00 0.00 C ATOM 459 CE2 TYR A 29 -3.223 -0.419 -8.495 1.00 0.00 C ATOM 460 CZ TYR A 29 -3.260 -1.795 -8.421 1.00 0.00 C ATOM 461 OH TYR A 29 -4.338 -2.477 -8.935 1.00 0.00 O ATOM 0 H TYR A 29 2.898 -0.324 -6.925 1.00 0.00 H new ATOM 0 HA TYR A 29 0.813 0.482 -8.846 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.490 -0.189 -5.962 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.232 1.322 -6.478 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.333 -2.345 -6.861 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.113 1.343 -8.044 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.258 -3.568 -7.778 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.038 0.122 -8.953 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.473 -3.305 -8.428 1.00 0.00 H new ATOM 471 N ARG A 30 1.431 2.883 -8.468 1.00 0.00 N ATOM 472 CA ARG A 30 2.062 4.195 -8.453 1.00 0.00 C ATOM 473 C ARG A 30 1.119 5.298 -8.921 1.00 0.00 C ATOM 474 O ARG A 30 0.174 5.054 -9.679 1.00 0.00 O ATOM 475 CB ARG A 30 3.315 4.179 -9.335 1.00 0.00 C ATOM 476 CG ARG A 30 3.039 3.831 -10.789 1.00 0.00 C ATOM 477 CD ARG A 30 4.328 3.724 -11.587 1.00 0.00 C ATOM 478 NE ARG A 30 4.080 3.488 -13.010 1.00 0.00 N ATOM 479 CZ ARG A 30 4.973 2.961 -13.848 1.00 0.00 C ATOM 480 NH1 ARG A 30 6.115 2.466 -13.391 1.00 0.00 N ATOM 481 NH2 ARG A 30 4.696 2.881 -15.140 1.00 0.00 N ATOM 0 H ARG A 30 0.645 2.791 -9.111 1.00 0.00 H new ATOM 0 HA ARG A 30 2.333 4.413 -7.420 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.792 5.158 -9.290 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.025 3.459 -8.928 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.497 2.887 -10.842 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.397 4.593 -11.232 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.904 4.642 -11.468 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.935 2.912 -11.186 1.00 0.00 H new ATOM 0 HE ARG A 30 3.166 3.743 -13.384 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.316 2.487 -12.391 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.793 2.065 -14.039 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.801 3.222 -15.492 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.377 2.478 -15.784 1.00 0.00 H new ATOM 495 N ARG A 31 1.382 6.505 -8.438 1.00 0.00 N ATOM 496 CA ARG A 31 0.717 7.707 -8.919 1.00 0.00 C ATOM 497 C ARG A 31 1.621 8.911 -8.670 1.00 0.00 C ATOM 498 O ARG A 31 1.754 9.376 -7.539 1.00 0.00 O ATOM 499 CB ARG A 31 -0.642 7.911 -8.237 1.00 0.00 C ATOM 500 CG ARG A 31 -1.515 8.939 -8.944 1.00 0.00 C ATOM 501 CD ARG A 31 -2.937 8.943 -8.409 1.00 0.00 C ATOM 502 NE ARG A 31 -3.079 9.722 -7.181 1.00 0.00 N ATOM 503 CZ ARG A 31 -4.136 10.494 -6.920 1.00 0.00 C ATOM 504 NH1 ARG A 31 -5.083 10.667 -7.836 1.00 0.00 N ATOM 505 NH2 ARG A 31 -4.231 11.118 -5.754 1.00 0.00 N ATOM 0 H ARG A 31 2.064 6.678 -7.700 1.00 0.00 H new ATOM 0 HA ARG A 31 0.531 7.598 -9.987 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.170 6.958 -8.200 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.481 8.227 -7.206 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.079 9.930 -8.822 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.531 8.727 -10.013 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.605 9.347 -9.169 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.252 7.917 -8.221 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.332 9.673 -6.488 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.004 10.209 -8.744 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.889 11.258 -7.631 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.496 11.008 -5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.039 11.708 -5.556 1.00 0.00 H new ATOM 519 N GLY A 32 2.268 9.386 -9.723 1.00 0.00 N ATOM 520 CA GLY A 32 3.240 10.451 -9.578 1.00 0.00 C ATOM 521 C GLY A 32 4.550 9.917 -9.039 1.00 0.00 C ATOM 522 O GLY A 32 5.103 8.966 -9.588 1.00 0.00 O ATOM 0 H GLY A 32 2.137 9.053 -10.678 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.407 10.930 -10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.850 11.216 -8.906 1.00 0.00 H new ATOM 526 N GLU A 33 5.047 10.508 -7.961 1.00 0.00 N ATOM 527 CA GLU A 33 6.230 9.977 -7.294 1.00 0.00 C ATOM 528 C GLU A 33 5.801 9.111 -6.110 1.00 0.00 C ATOM 529 O GLU A 33 6.621 8.688 -5.291 1.00 0.00 O ATOM 530 CB GLU A 33 7.155 11.104 -6.821 1.00 0.00 C ATOM 531 CG GLU A 33 8.561 10.623 -6.484 1.00 0.00 C ATOM 532 CD GLU A 33 9.391 11.671 -5.777 1.00 0.00 C ATOM 533 OE1 GLU A 33 9.998 12.520 -6.463 1.00 0.00 O ATOM 534 OE2 GLU A 33 9.438 11.653 -4.529 1.00 0.00 O ATOM 0 H GLU A 33 4.655 11.347 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 33 6.787 9.370 -8.007 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.215 11.867 -7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.719 11.578 -5.942 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.494 9.735 -5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.067 10.326 -7.402 1.00 0.00 H new ATOM 541 N ASN A 34 4.507 8.830 -6.043 1.00 0.00 N ATOM 542 CA ASN A 34 3.952 8.033 -4.959 1.00 0.00 C ATOM 543 C ASN A 34 3.975 6.566 -5.350 1.00 0.00 C ATOM 544 O ASN A 34 3.197 6.128 -6.200 1.00 0.00 O ATOM 545 CB ASN A 34 2.511 8.458 -4.642 1.00 0.00 C ATOM 546 CG ASN A 34 2.383 9.921 -4.248 1.00 0.00 C ATOM 547 OD1 ASN A 34 3.395 10.461 -3.587 1.00 0.00 O flip ATOM 548 ND2 ASN A 34 1.366 10.556 -4.522 1.00 0.00 N flip ATOM 0 H ASN A 34 3.820 9.144 -6.729 1.00 0.00 H new ATOM 0 HA ASN A 34 4.559 8.192 -4.068 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.885 8.269 -5.514 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.127 7.837 -3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.606 10.106 -5.033 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.282 11.532 -4.238 1.00 0.00 H new ATOM 555 N TYR A 35 4.886 5.819 -4.748 1.00 0.00 N ATOM 556 CA TYR A 35 5.043 4.409 -5.062 1.00 0.00 C ATOM 557 C TYR A 35 4.546 3.536 -3.924 1.00 0.00 C ATOM 558 O TYR A 35 4.922 3.730 -2.766 1.00 0.00 O ATOM 559 CB TYR A 35 6.504 4.077 -5.359 1.00 0.00 C ATOM 560 CG TYR A 35 7.041 4.729 -6.611 1.00 0.00 C ATOM 561 CD1 TYR A 35 6.510 4.421 -7.857 1.00 0.00 C ATOM 562 CD2 TYR A 35 8.082 5.646 -6.550 1.00 0.00 C ATOM 563 CE1 TYR A 35 6.999 5.009 -9.005 1.00 0.00 C ATOM 564 CE2 TYR A 35 8.578 6.236 -7.696 1.00 0.00 C ATOM 565 CZ TYR A 35 8.033 5.914 -8.919 1.00 0.00 C ATOM 566 OH TYR A 35 8.529 6.493 -10.066 1.00 0.00 O ATOM 0 H TYR A 35 5.529 6.167 -4.037 1.00 0.00 H new ATOM 0 HA TYR A 35 4.444 4.204 -5.949 1.00 0.00 H new ATOM 0 HB2 TYR A 35 7.115 4.385 -4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.608 2.996 -5.451 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.701 3.709 -7.928 1.00 0.00 H new ATOM 0 HD2 TYR A 35 8.510 5.902 -5.592 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.573 4.761 -9.966 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.389 6.946 -7.633 1.00 0.00 H new ATOM 0 HH TYR A 35 9.255 7.109 -9.834 1.00 0.00 H new ATOM 576 N VAL A 36 3.697 2.584 -4.269 1.00 0.00 N ATOM 577 CA VAL A 36 3.205 1.599 -3.322 1.00 0.00 C ATOM 578 C VAL A 36 3.218 0.219 -3.964 1.00 0.00 C ATOM 579 O VAL A 36 3.130 0.088 -5.180 1.00 0.00 O ATOM 580 CB VAL A 36 1.775 1.918 -2.821 1.00 0.00 C ATOM 581 CG1 VAL A 36 1.779 3.134 -1.910 1.00 0.00 C ATOM 582 CG2 VAL A 36 0.822 2.138 -3.987 1.00 0.00 C ATOM 0 H VAL A 36 3.329 2.472 -5.214 1.00 0.00 H new ATOM 0 HA VAL A 36 3.869 1.625 -2.458 1.00 0.00 H new ATOM 0 HB VAL A 36 1.426 1.058 -2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.763 3.338 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.417 2.941 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.159 3.997 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.175 2.360 -3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.174 2.974 -4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.783 1.238 -4.600 1.00 0.00 H new ATOM 592 N TYR A 37 3.349 -0.804 -3.152 1.00 0.00 N ATOM 593 CA TYR A 37 3.373 -2.166 -3.649 1.00 0.00 C ATOM 594 C TYR A 37 2.450 -3.036 -2.809 1.00 0.00 C ATOM 595 O TYR A 37 2.650 -3.184 -1.599 1.00 0.00 O ATOM 596 CB TYR A 37 4.798 -2.720 -3.620 1.00 0.00 C ATOM 597 CG TYR A 37 5.772 -1.931 -4.468 1.00 0.00 C ATOM 598 CD1 TYR A 37 5.913 -2.189 -5.827 1.00 0.00 C ATOM 599 CD2 TYR A 37 6.551 -0.928 -3.909 1.00 0.00 C ATOM 600 CE1 TYR A 37 6.801 -1.468 -6.602 1.00 0.00 C ATOM 601 CE2 TYR A 37 7.441 -0.204 -4.676 1.00 0.00 C ATOM 602 CZ TYR A 37 7.562 -0.477 -6.022 1.00 0.00 C ATOM 603 OH TYR A 37 8.450 0.243 -6.788 1.00 0.00 O ATOM 0 H TYR A 37 3.441 -0.721 -2.140 1.00 0.00 H new ATOM 0 HA TYR A 37 3.024 -2.172 -4.682 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.153 -2.732 -2.590 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.784 -3.754 -3.965 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.318 -2.966 -6.284 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.459 -0.710 -2.855 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.898 -1.680 -7.657 1.00 0.00 H new ATOM 0 HE2 TYR A 37 8.040 0.573 -4.224 1.00 0.00 H new ATOM 0 HH TYR A 37 8.118 0.299 -7.708 1.00 0.00 H new ATOM 613 N VAL A 38 1.428 -3.585 -3.442 1.00 0.00 N ATOM 614 CA VAL A 38 0.487 -4.448 -2.754 1.00 0.00 C ATOM 615 C VAL A 38 1.074 -5.843 -2.629 1.00 0.00 C ATOM 616 O VAL A 38 1.110 -6.604 -3.597 1.00 0.00 O ATOM 617 CB VAL A 38 -0.869 -4.525 -3.482 1.00 0.00 C ATOM 618 CG1 VAL A 38 -1.855 -5.377 -2.696 1.00 0.00 C ATOM 619 CG2 VAL A 38 -1.428 -3.133 -3.721 1.00 0.00 C ATOM 0 H VAL A 38 1.229 -3.448 -4.433 1.00 0.00 H new ATOM 0 HA VAL A 38 0.310 -4.021 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.711 -4.999 -4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.805 -5.418 -3.228 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.457 -6.386 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.010 -4.938 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.386 -3.209 -4.236 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.569 -2.629 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.731 -2.561 -4.334 1.00 0.00 H new ATOM 629 N ASN A 39 1.576 -6.152 -1.450 1.00 0.00 N ATOM 630 CA ASN A 39 2.201 -7.437 -1.192 1.00 0.00 C ATOM 631 C ASN A 39 1.181 -8.553 -1.358 1.00 0.00 C ATOM 632 O ASN A 39 0.245 -8.678 -0.570 1.00 0.00 O ATOM 633 CB ASN A 39 2.799 -7.461 0.219 1.00 0.00 C ATOM 634 CG ASN A 39 3.680 -8.670 0.476 1.00 0.00 C ATOM 635 OD1 ASN A 39 3.724 -9.193 1.588 1.00 0.00 O ATOM 636 ND2 ASN A 39 4.418 -9.102 -0.534 1.00 0.00 N ATOM 0 H ASN A 39 1.563 -5.524 -0.646 1.00 0.00 H new ATOM 0 HA ASN A 39 3.006 -7.591 -1.910 1.00 0.00 H new ATOM 0 HB2 ASN A 39 3.384 -6.554 0.374 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.990 -7.447 0.949 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.049 -9.893 -0.403 1.00 0.00 H new ATOM 0 HD22 ASN A 39 4.356 -8.644 -1.443 1.00 0.00 H new ATOM 643 N ARG A 40 1.367 -9.356 -2.396 1.00 0.00 N ATOM 644 CA ARG A 40 0.454 -10.448 -2.702 1.00 0.00 C ATOM 645 C ARG A 40 0.697 -11.600 -1.736 1.00 0.00 C ATOM 646 O ARG A 40 -0.040 -12.582 -1.709 1.00 0.00 O ATOM 647 CB ARG A 40 0.649 -10.897 -4.156 1.00 0.00 C ATOM 648 CG ARG A 40 -0.334 -11.961 -4.618 1.00 0.00 C ATOM 649 CD ARG A 40 -0.108 -12.326 -6.074 1.00 0.00 C ATOM 650 NE ARG A 40 -0.973 -13.423 -6.510 1.00 0.00 N ATOM 651 CZ ARG A 40 -1.332 -13.642 -7.775 1.00 0.00 C ATOM 652 NH1 ARG A 40 -0.943 -12.823 -8.744 1.00 0.00 N ATOM 653 NH2 ARG A 40 -2.092 -14.682 -8.070 1.00 0.00 N ATOM 0 H ARG A 40 2.149 -9.270 -3.045 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.576 -10.111 -2.586 1.00 0.00 H new ATOM 0 HB2 ARG A 40 0.559 -10.028 -4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.663 -11.280 -4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.228 -12.851 -3.997 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.354 -11.599 -4.486 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.291 -11.451 -6.698 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.935 -12.609 -6.218 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.325 -14.063 -5.798 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.362 -12.014 -8.525 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.225 -13.003 -9.708 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.402 -15.313 -7.331 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.369 -14.853 -9.037 1.00 0.00 H new ATOM 667 N GLU A 41 1.737 -11.453 -0.929 1.00 0.00 N ATOM 668 CA GLU A 41 2.058 -12.423 0.100 1.00 0.00 C ATOM 669 C GLU A 41 1.213 -12.158 1.344 1.00 0.00 C ATOM 670 O GLU A 41 1.371 -12.819 2.373 1.00 0.00 O ATOM 671 CB GLU A 41 3.546 -12.352 0.437 1.00 0.00 C ATOM 672 CG GLU A 41 4.447 -12.466 -0.784 1.00 0.00 C ATOM 673 CD GLU A 41 5.909 -12.259 -0.449 1.00 0.00 C ATOM 674 OE1 GLU A 41 6.294 -11.113 -0.130 1.00 0.00 O ATOM 675 OE2 GLU A 41 6.679 -13.240 -0.506 1.00 0.00 O ATOM 0 H GLU A 41 2.378 -10.661 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 41 1.833 -13.424 -0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.752 -11.410 0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.791 -13.151 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.317 -13.449 -1.236 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.140 -11.730 -1.527 1.00 0.00 H new ATOM 682 N ALA A 42 0.329 -11.165 1.244 1.00 0.00 N ATOM 683 CA ALA A 42 -0.636 -10.890 2.294 1.00 0.00 C ATOM 684 C ALA A 42 -1.657 -12.011 2.345 1.00 0.00 C ATOM 685 O ALA A 42 -2.526 -12.113 1.481 1.00 0.00 O ATOM 686 CB ALA A 42 -1.337 -9.566 2.053 1.00 0.00 C ATOM 0 H ALA A 42 0.266 -10.539 0.441 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.108 -10.828 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.054 -9.383 2.853 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.601 -8.762 2.035 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.860 -9.600 1.097 1.00 0.00 H new ATOM 692 N ARG A 43 -1.533 -12.854 3.346 1.00 0.00 N ATOM 693 CA ARG A 43 -2.378 -14.027 3.454 1.00 0.00 C ATOM 694 C ARG A 43 -3.754 -13.657 3.996 1.00 0.00 C ATOM 695 O ARG A 43 -4.775 -13.984 3.393 1.00 0.00 O ATOM 696 CB ARG A 43 -1.695 -15.063 4.343 1.00 0.00 C ATOM 697 CG ARG A 43 -0.258 -15.324 3.921 1.00 0.00 C ATOM 698 CD ARG A 43 0.458 -16.274 4.864 1.00 0.00 C ATOM 699 NE ARG A 43 1.888 -16.343 4.568 1.00 0.00 N ATOM 700 CZ ARG A 43 2.463 -17.310 3.849 1.00 0.00 C ATOM 701 NH1 ARG A 43 1.733 -18.303 3.355 1.00 0.00 N ATOM 702 NH2 ARG A 43 3.772 -17.276 3.620 1.00 0.00 N ATOM 0 H ARG A 43 -0.854 -12.750 4.100 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.525 -14.455 2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.711 -14.719 5.377 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.257 -15.996 4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.248 -15.740 2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.284 -14.379 3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.313 -15.945 5.893 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.020 -17.269 4.783 1.00 0.00 H new ATOM 0 HE ARG A 43 2.486 -15.603 4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.727 -18.330 3.524 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.178 -19.039 2.806 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.335 -16.512 3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.213 -18.014 3.071 1.00 0.00 H new ATOM 716 N MET A 44 -3.774 -12.965 5.129 1.00 0.00 N ATOM 717 CA MET A 44 -5.028 -12.523 5.731 1.00 0.00 C ATOM 718 C MET A 44 -4.951 -11.070 6.187 1.00 0.00 C ATOM 719 O MET A 44 -5.805 -10.605 6.940 1.00 0.00 O ATOM 720 CB MET A 44 -5.414 -13.426 6.907 1.00 0.00 C ATOM 721 CG MET A 44 -5.985 -14.767 6.478 1.00 0.00 C ATOM 722 SD MET A 44 -7.534 -14.596 5.567 1.00 0.00 S ATOM 723 CE MET A 44 -7.837 -16.301 5.107 1.00 0.00 C ATOM 0 H MET A 44 -2.938 -12.698 5.649 1.00 0.00 H new ATOM 0 HA MET A 44 -5.799 -12.594 4.964 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.535 -13.596 7.528 1.00 0.00 H new ATOM 0 HB3 MET A 44 -6.147 -12.909 7.527 1.00 0.00 H new ATOM 0 HG2 MET A 44 -5.256 -15.287 5.856 1.00 0.00 H new ATOM 0 HG3 MET A 44 -6.151 -15.387 7.359 1.00 0.00 H new ATOM 0 HE1 MET A 44 -8.763 -16.365 4.536 1.00 0.00 H new ATOM 0 HE2 MET A 44 -7.009 -16.666 4.499 1.00 0.00 H new ATOM 0 HE3 MET A 44 -7.923 -16.911 6.006 1.00 0.00 H new ATOM 733 N GLY A 45 -3.930 -10.351 5.732 1.00 0.00 N ATOM 734 CA GLY A 45 -3.859 -8.925 6.013 1.00 0.00 C ATOM 735 C GLY A 45 -2.654 -8.511 6.839 1.00 0.00 C ATOM 736 O GLY A 45 -2.635 -7.430 7.425 1.00 0.00 O ATOM 0 H GLY A 45 -3.157 -10.723 5.180 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.842 -8.381 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.766 -8.624 6.538 1.00 0.00 H new ATOM 740 N ARG A 46 -1.633 -9.340 6.862 1.00 0.00 N ATOM 741 CA ARG A 46 -0.430 -9.033 7.576 1.00 0.00 C ATOM 742 C ARG A 46 0.676 -8.888 6.577 1.00 0.00 C ATOM 743 O ARG A 46 1.195 -9.867 6.047 1.00 0.00 O ATOM 744 CB ARG A 46 -0.098 -10.081 8.635 1.00 0.00 C ATOM 745 CG ARG A 46 -0.591 -9.685 10.014 1.00 0.00 C ATOM 746 CD ARG A 46 -0.323 -10.755 11.056 1.00 0.00 C ATOM 747 NE ARG A 46 -0.794 -10.342 12.377 1.00 0.00 N ATOM 748 CZ ARG A 46 -0.898 -11.157 13.423 1.00 0.00 C ATOM 749 NH1 ARG A 46 -0.552 -12.436 13.317 1.00 0.00 N ATOM 750 NH2 ARG A 46 -1.344 -10.689 14.580 1.00 0.00 N ATOM 0 H ARG A 46 -1.621 -10.242 6.385 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.565 -8.100 8.123 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.545 -11.034 8.352 1.00 0.00 H new ATOM 0 HB3 ARG A 46 0.981 -10.232 8.667 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.106 -8.757 10.317 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.662 -9.485 9.970 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.818 -11.681 10.765 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.746 -10.965 11.098 1.00 0.00 H new ATOM 0 HE ARG A 46 -1.060 -9.366 12.505 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.204 -12.798 12.429 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -0.634 -13.055 14.123 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.606 -9.707 14.666 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.425 -11.311 15.384 1.00 0.00 H new ATOM 764 N THR A 47 0.929 -7.629 6.298 1.00 0.00 N ATOM 765 CA THR A 47 1.902 -7.149 5.323 1.00 0.00 C ATOM 766 C THR A 47 1.271 -7.221 3.945 1.00 0.00 C ATOM 767 O THR A 47 1.056 -8.302 3.403 1.00 0.00 O ATOM 768 CB THR A 47 3.276 -7.890 5.346 1.00 0.00 C ATOM 769 OG1 THR A 47 3.212 -9.153 4.673 1.00 0.00 O ATOM 770 CG2 THR A 47 3.749 -8.112 6.773 1.00 0.00 C ATOM 0 H THR A 47 0.439 -6.866 6.766 1.00 0.00 H new ATOM 0 HA THR A 47 2.147 -6.122 5.595 1.00 0.00 H new ATOM 0 HB THR A 47 3.985 -7.251 4.821 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.518 -9.709 5.085 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.708 -8.630 6.762 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.862 -7.150 7.273 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.017 -8.716 7.309 1.00 0.00 H new ATOM 778 N ALA A 48 0.984 -6.057 3.386 1.00 0.00 N ATOM 779 CA ALA A 48 0.169 -5.967 2.181 1.00 0.00 C ATOM 780 C ALA A 48 0.345 -4.623 1.497 1.00 0.00 C ATOM 781 O ALA A 48 0.355 -4.550 0.276 1.00 0.00 O ATOM 782 CB ALA A 48 -1.300 -6.178 2.522 1.00 0.00 C ATOM 0 H ALA A 48 1.303 -5.158 3.747 1.00 0.00 H new ATOM 0 HA ALA A 48 0.499 -6.748 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.898 -6.108 1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.432 -7.164 2.969 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.623 -5.413 3.228 1.00 0.00 H new ATOM 788 N LEU A 49 0.488 -3.557 2.262 1.00 0.00 N ATOM 789 CA LEU A 49 0.760 -2.267 1.655 1.00 0.00 C ATOM 790 C LEU A 49 2.191 -1.838 1.931 1.00 0.00 C ATOM 791 O LEU A 49 2.544 -1.474 3.057 1.00 0.00 O ATOM 792 CB LEU A 49 -0.214 -1.194 2.141 1.00 0.00 C ATOM 793 CG LEU A 49 -0.083 0.149 1.415 1.00 0.00 C ATOM 794 CD1 LEU A 49 -0.331 -0.024 -0.076 1.00 0.00 C ATOM 795 CD2 LEU A 49 -1.042 1.170 1.994 1.00 0.00 C ATOM 0 H LEU A 49 0.423 -3.555 3.280 1.00 0.00 H new ATOM 0 HA LEU A 49 0.623 -2.379 0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.233 -1.562 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.058 -1.034 3.208 1.00 0.00 H new ATOM 0 HG LEU A 49 0.934 0.514 1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.234 0.940 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.399 -0.721 -0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.336 -0.415 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.931 2.115 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.065 0.811 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.820 1.319 3.051 1.00 0.00 H new ATOM 807 N ILE A 50 3.016 -1.920 0.906 1.00 0.00 N ATOM 808 CA ILE A 50 4.373 -1.423 0.980 1.00 0.00 C ATOM 809 C ILE A 50 4.412 -0.042 0.350 1.00 0.00 C ATOM 810 O ILE A 50 3.745 0.193 -0.653 1.00 0.00 O ATOM 811 CB ILE A 50 5.366 -2.341 0.235 1.00 0.00 C ATOM 812 CG1 ILE A 50 5.143 -3.813 0.608 1.00 0.00 C ATOM 813 CG2 ILE A 50 6.796 -1.924 0.546 1.00 0.00 C ATOM 814 CD1 ILE A 50 5.349 -4.115 2.076 1.00 0.00 C ATOM 0 H ILE A 50 2.766 -2.330 0.006 1.00 0.00 H new ATOM 0 HA ILE A 50 4.670 -1.391 2.028 1.00 0.00 H new ATOM 0 HB ILE A 50 5.192 -2.237 -0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.129 -4.098 0.328 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.822 -4.432 0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.489 -2.577 0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 50 6.952 -0.894 0.226 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.973 -2.002 1.619 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.173 -5.175 2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.371 -3.863 2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 50 4.652 -3.524 2.670 1.00 0.00 H new ATOM 826 N ILE A 51 5.160 0.872 0.941 1.00 0.00 N ATOM 827 CA ILE A 51 5.257 2.218 0.400 1.00 0.00 C ATOM 828 C ILE A 51 6.710 2.641 0.274 1.00 0.00 C ATOM 829 O ILE A 51 7.604 2.009 0.847 1.00 0.00 O ATOM 830 CB ILE A 51 4.530 3.268 1.277 1.00 0.00 C ATOM 831 CG1 ILE A 51 5.257 3.449 2.611 1.00 0.00 C ATOM 832 CG2 ILE A 51 3.080 2.869 1.510 1.00 0.00 C ATOM 833 CD1 ILE A 51 4.777 4.641 3.410 1.00 0.00 C ATOM 0 H ILE A 51 5.705 0.711 1.788 1.00 0.00 H new ATOM 0 HA ILE A 51 4.776 2.183 -0.577 1.00 0.00 H new ATOM 0 HB ILE A 51 4.540 4.220 0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.129 2.547 3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.325 3.557 2.421 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.590 3.621 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.565 2.795 0.552 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.045 1.904 2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.338 4.704 4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.930 5.552 2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.716 4.527 3.633 1.00 0.00 H new ATOM 845 N HIS A 52 6.928 3.702 -0.488 1.00 0.00 N ATOM 846 CA HIS A 52 8.219 4.371 -0.540 1.00 0.00 C ATOM 847 C HIS A 52 8.662 4.732 0.882 1.00 0.00 C ATOM 848 O HIS A 52 7.882 5.305 1.644 1.00 0.00 O ATOM 849 CB HIS A 52 8.096 5.640 -1.409 1.00 0.00 C ATOM 850 CG HIS A 52 9.330 6.501 -1.464 1.00 0.00 C ATOM 851 ND1 HIS A 52 9.821 7.180 -0.377 1.00 0.00 N ATOM 852 CD2 HIS A 52 10.162 6.803 -2.491 1.00 0.00 C ATOM 853 CE1 HIS A 52 10.896 7.855 -0.718 1.00 0.00 C ATOM 854 NE2 HIS A 52 11.131 7.649 -2.000 1.00 0.00 N ATOM 0 H HIS A 52 6.217 4.123 -1.086 1.00 0.00 H new ATOM 0 HA HIS A 52 8.966 3.712 -0.981 1.00 0.00 H new ATOM 0 HB2 HIS A 52 7.835 5.342 -2.424 1.00 0.00 H new ATOM 0 HB3 HIS A 52 7.269 6.241 -1.031 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.412 7.163 0.557 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.080 6.446 -3.507 1.00 0.00 H new ATOM 0 HE1 HIS A 52 11.487 8.474 -0.060 1.00 0.00 H new ATOM 863 N PRO A 53 9.907 4.384 1.260 1.00 0.00 N ATOM 864 CA PRO A 53 10.483 4.733 2.575 1.00 0.00 C ATOM 865 C PRO A 53 10.478 6.241 2.850 1.00 0.00 C ATOM 866 O PRO A 53 9.801 7.005 2.164 1.00 0.00 O ATOM 867 CB PRO A 53 11.915 4.205 2.479 1.00 0.00 C ATOM 868 CG PRO A 53 11.843 3.116 1.467 1.00 0.00 C ATOM 869 CD PRO A 53 10.842 3.585 0.451 1.00 0.00 C ATOM 0 HA PRO A 53 9.907 4.306 3.396 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.607 4.988 2.171 1.00 0.00 H new ATOM 0 HB3 PRO A 53 12.265 3.831 3.441 1.00 0.00 H new ATOM 0 HG2 PRO A 53 12.816 2.940 1.008 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.531 2.176 1.922 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.310 4.181 -0.333 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.341 2.750 -0.039 1.00 0.00 H new ATOM 877 N ARG A 54 11.220 6.666 3.869 1.00 0.00 N ATOM 878 CA ARG A 54 11.229 8.064 4.316 1.00 0.00 C ATOM 879 C ARG A 54 9.921 8.412 5.031 1.00 0.00 C ATOM 880 O ARG A 54 9.925 9.001 6.115 1.00 0.00 O ATOM 881 CB ARG A 54 11.474 9.035 3.153 1.00 0.00 C ATOM 882 CG ARG A 54 11.195 10.488 3.512 1.00 0.00 C ATOM 883 CD ARG A 54 11.632 11.433 2.409 1.00 0.00 C ATOM 884 NE ARG A 54 13.074 11.358 2.182 1.00 0.00 N ATOM 885 CZ ARG A 54 13.969 12.141 2.784 1.00 0.00 C ATOM 886 NH1 ARG A 54 13.574 13.088 3.627 1.00 0.00 N ATOM 887 NH2 ARG A 54 15.259 11.972 2.535 1.00 0.00 N ATOM 0 H ARG A 54 11.832 6.056 4.410 1.00 0.00 H new ATOM 0 HA ARG A 54 12.056 8.173 5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 54 12.509 8.942 2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.844 8.749 2.311 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.129 10.618 3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.716 10.741 4.435 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.104 11.188 1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.356 12.454 2.672 1.00 0.00 H new ATOM 0 HE ARG A 54 13.417 10.662 1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.581 13.220 3.817 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.264 13.684 4.084 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.562 11.246 1.886 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.949 12.568 2.992 1.00 0.00 H new ATOM 901 N LEU A 55 8.811 8.015 4.420 1.00 0.00 N ATOM 902 CA LEU A 55 7.475 8.259 4.947 1.00 0.00 C ATOM 903 C LEU A 55 7.152 7.339 6.115 1.00 0.00 C ATOM 904 O LEU A 55 6.018 7.299 6.581 1.00 0.00 O ATOM 905 CB LEU A 55 6.442 8.060 3.838 1.00 0.00 C ATOM 906 CG LEU A 55 6.273 9.249 2.899 1.00 0.00 C ATOM 907 CD1 LEU A 55 5.414 8.871 1.702 1.00 0.00 C ATOM 908 CD2 LEU A 55 5.650 10.406 3.659 1.00 0.00 C ATOM 0 H LEU A 55 8.814 7.509 3.534 1.00 0.00 H new ATOM 0 HA LEU A 55 7.442 9.286 5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.726 7.188 3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.478 7.836 4.295 1.00 0.00 H new ATOM 0 HG LEU A 55 7.252 9.551 2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.306 9.734 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.889 8.056 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.430 8.552 2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.528 11.258 2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.676 10.105 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.298 10.687 4.489 1.00 0.00 H new ATOM 920 N LYS A 56 8.148 6.605 6.580 1.00 0.00 N ATOM 921 CA LYS A 56 7.971 5.686 7.691 1.00 0.00 C ATOM 922 C LYS A 56 7.474 6.434 8.929 1.00 0.00 C ATOM 923 O LYS A 56 6.521 6.011 9.577 1.00 0.00 O ATOM 924 CB LYS A 56 9.295 4.980 7.980 1.00 0.00 C ATOM 925 CG LYS A 56 9.194 3.854 8.994 1.00 0.00 C ATOM 926 CD LYS A 56 10.557 3.244 9.274 1.00 0.00 C ATOM 927 CE LYS A 56 10.464 2.097 10.263 1.00 0.00 C ATOM 928 NZ LYS A 56 11.802 1.567 10.630 1.00 0.00 N ATOM 0 H LYS A 56 9.095 6.628 6.202 1.00 0.00 H new ATOM 0 HA LYS A 56 7.221 4.940 7.427 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.691 4.579 7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.014 5.715 8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.765 4.233 9.921 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.518 3.085 8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.995 2.887 8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.225 4.010 9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.949 2.435 11.162 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.862 1.296 9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.911 0.606 10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 12.540 2.183 10.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 11.893 1.540 11.666 1.00 0.00 H new ATOM 942 N ASP A 57 8.107 7.568 9.220 1.00 0.00 N ATOM 943 CA ASP A 57 7.750 8.390 10.379 1.00 0.00 C ATOM 944 C ASP A 57 6.332 8.946 10.252 1.00 0.00 C ATOM 945 O ASP A 57 5.516 8.815 11.168 1.00 0.00 O ATOM 946 CB ASP A 57 8.756 9.538 10.528 1.00 0.00 C ATOM 947 CG ASP A 57 8.412 10.489 11.658 1.00 0.00 C ATOM 948 OD1 ASP A 57 8.322 10.035 12.818 1.00 0.00 O ATOM 949 OD2 ASP A 57 8.258 11.702 11.396 1.00 0.00 O ATOM 0 H ASP A 57 8.876 7.943 8.665 1.00 0.00 H new ATOM 0 HA ASP A 57 7.782 7.760 11.268 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.749 9.123 10.701 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.802 10.096 9.593 1.00 0.00 H new ATOM 954 N ARG A 58 6.051 9.565 9.113 1.00 0.00 N ATOM 955 CA ARG A 58 4.732 10.127 8.830 1.00 0.00 C ATOM 956 C ARG A 58 3.649 9.045 8.826 1.00 0.00 C ATOM 957 O ARG A 58 2.690 9.107 9.597 1.00 0.00 O ATOM 958 CB ARG A 58 4.768 10.837 7.469 1.00 0.00 C ATOM 959 CG ARG A 58 3.405 11.220 6.905 1.00 0.00 C ATOM 960 CD ARG A 58 2.735 12.337 7.689 1.00 0.00 C ATOM 961 NE ARG A 58 1.539 12.825 7.001 1.00 0.00 N ATOM 962 CZ ARG A 58 1.191 14.111 6.921 1.00 0.00 C ATOM 963 NH1 ARG A 58 1.900 15.037 7.554 1.00 0.00 N ATOM 964 NH2 ARG A 58 0.127 14.465 6.210 1.00 0.00 N ATOM 0 H ARG A 58 6.727 9.693 8.360 1.00 0.00 H new ATOM 0 HA ARG A 58 4.485 10.839 9.617 1.00 0.00 H new ATOM 0 HB2 ARG A 58 5.372 11.739 7.563 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.272 10.189 6.752 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.521 11.530 5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 58 2.757 10.343 6.905 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.465 11.976 8.681 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.438 13.158 7.829 1.00 0.00 H new ATOM 0 HE ARG A 58 0.932 12.138 6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.715 14.767 8.105 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.630 16.019 7.490 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -0.423 13.755 5.726 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.141 15.447 6.147 1.00 0.00 H new ATOM 978 N SER A 59 3.812 8.063 7.948 1.00 0.00 N ATOM 979 CA SER A 59 2.796 7.040 7.717 1.00 0.00 C ATOM 980 C SER A 59 2.506 6.217 8.980 1.00 0.00 C ATOM 981 O SER A 59 1.423 5.642 9.123 1.00 0.00 O ATOM 982 CB SER A 59 3.235 6.138 6.559 1.00 0.00 C ATOM 983 OG SER A 59 4.280 5.259 6.946 1.00 0.00 O ATOM 0 H SER A 59 4.650 7.952 7.377 1.00 0.00 H new ATOM 0 HA SER A 59 1.864 7.539 7.452 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.383 5.557 6.207 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.568 6.754 5.724 1.00 0.00 H new ATOM 0 HG SER A 59 5.136 5.735 6.917 1.00 0.00 H new ATOM 989 N SER A 60 3.479 6.165 9.889 1.00 0.00 N ATOM 990 CA SER A 60 3.355 5.402 11.129 1.00 0.00 C ATOM 991 C SER A 60 2.188 5.906 11.981 1.00 0.00 C ATOM 992 O SER A 60 1.575 5.141 12.721 1.00 0.00 O ATOM 993 CB SER A 60 4.665 5.484 11.922 1.00 0.00 C ATOM 994 OG SER A 60 4.683 4.563 13.002 1.00 0.00 O ATOM 0 H SER A 60 4.371 6.648 9.787 1.00 0.00 H new ATOM 0 HA SER A 60 3.152 4.363 10.870 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.506 5.283 11.258 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.796 6.496 12.305 1.00 0.00 H new ATOM 0 HG SER A 60 5.532 4.641 13.485 1.00 0.00 H new ATOM 1000 N SER A 61 1.875 7.190 11.861 1.00 0.00 N ATOM 1001 CA SER A 61 0.814 7.791 12.657 1.00 0.00 C ATOM 1002 C SER A 61 -0.551 7.592 11.993 1.00 0.00 C ATOM 1003 O SER A 61 -1.554 8.159 12.428 1.00 0.00 O ATOM 1004 CB SER A 61 1.096 9.283 12.844 1.00 0.00 C ATOM 1005 OG SER A 61 2.419 9.490 13.317 1.00 0.00 O ATOM 0 H SER A 61 2.340 7.834 11.221 1.00 0.00 H new ATOM 0 HA SER A 61 0.790 7.301 13.630 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.957 9.805 11.897 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.382 9.707 13.550 1.00 0.00 H new ATOM 0 HG SER A 61 2.580 10.450 13.428 1.00 0.00 H new ATOM 1011 N LEU A 62 -0.583 6.781 10.942 1.00 0.00 N ATOM 1012 CA LEU A 62 -1.812 6.537 10.200 1.00 0.00 C ATOM 1013 C LEU A 62 -2.189 5.061 10.209 1.00 0.00 C ATOM 1014 O LEU A 62 -3.346 4.708 10.442 1.00 0.00 O ATOM 1015 CB LEU A 62 -1.663 7.015 8.753 1.00 0.00 C ATOM 1016 CG LEU A 62 -1.525 8.526 8.576 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -1.265 8.866 7.120 1.00 0.00 C ATOM 1018 CD2 LEU A 62 -2.777 9.234 9.071 1.00 0.00 C ATOM 0 H LEU A 62 0.231 6.281 10.585 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.607 7.097 10.692 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.788 6.533 8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.530 6.677 8.185 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.677 8.869 9.168 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.169 9.946 7.010 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.343 8.385 6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.096 8.512 6.510 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.663 10.310 8.938 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.640 8.887 8.502 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.926 9.013 10.128 1.00 0.00 H new ATOM 1030 N ALA A 63 -1.212 4.201 9.961 1.00 0.00 N ATOM 1031 CA ALA A 63 -1.481 2.781 9.792 1.00 0.00 C ATOM 1032 C ALA A 63 -0.667 1.931 10.753 1.00 0.00 C ATOM 1033 O ALA A 63 0.208 2.433 11.457 1.00 0.00 O ATOM 1034 CB ALA A 63 -1.196 2.375 8.359 1.00 0.00 C ATOM 0 H ALA A 63 -0.230 4.460 9.873 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.533 2.609 10.019 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.398 1.311 8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.834 2.947 7.685 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.150 2.575 8.125 1.00 0.00 H new ATOM 1040 N ASP A 64 -0.955 0.637 10.761 1.00 0.00 N ATOM 1041 CA ASP A 64 -0.253 -0.307 11.619 1.00 0.00 C ATOM 1042 C ASP A 64 0.863 -0.998 10.858 1.00 0.00 C ATOM 1043 O ASP A 64 0.614 -1.662 9.854 1.00 0.00 O ATOM 1044 CB ASP A 64 -1.214 -1.364 12.166 1.00 0.00 C ATOM 1045 CG ASP A 64 -2.080 -0.843 13.290 1.00 0.00 C ATOM 1046 OD1 ASP A 64 -1.664 -0.952 14.462 1.00 0.00 O ATOM 1047 OD2 ASP A 64 -3.187 -0.334 13.012 1.00 0.00 O ATOM 0 H ASP A 64 -1.677 0.214 10.177 1.00 0.00 H new ATOM 0 HA ASP A 64 0.172 0.257 12.449 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.852 -1.721 11.358 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.641 -2.220 12.522 1.00 0.00 H new ATOM 1052 N PRO A 65 2.111 -0.825 11.299 1.00 0.00 N ATOM 1053 CA PRO A 65 3.236 -1.572 10.761 1.00 0.00 C ATOM 1054 C PRO A 65 3.246 -2.995 11.299 1.00 0.00 C ATOM 1055 O PRO A 65 3.392 -3.214 12.502 1.00 0.00 O ATOM 1056 CB PRO A 65 4.470 -0.799 11.247 1.00 0.00 C ATOM 1057 CG PRO A 65 3.946 0.434 11.914 1.00 0.00 C ATOM 1058 CD PRO A 65 2.538 0.124 12.330 1.00 0.00 C ATOM 0 HA PRO A 65 3.198 -1.658 9.675 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.058 -1.399 11.942 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.124 -0.544 10.413 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.557 0.698 12.777 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.972 1.285 11.233 1.00 0.00 H new ATOM 0 HD2 PRO A 65 2.495 -0.313 13.328 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.912 1.017 12.346 1.00 0.00 H new ATOM 1066 N ALA A 66 3.057 -3.958 10.412 1.00 0.00 N ATOM 1067 CA ALA A 66 3.045 -5.362 10.802 1.00 0.00 C ATOM 1068 C ALA A 66 4.452 -5.821 11.161 1.00 0.00 C ATOM 1069 O ALA A 66 4.645 -6.739 11.957 1.00 0.00 O ATOM 1070 CB ALA A 66 2.472 -6.217 9.682 1.00 0.00 C ATOM 0 H ALA A 66 2.910 -3.795 9.416 1.00 0.00 H new ATOM 0 HA ALA A 66 2.410 -5.476 11.680 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.469 -7.263 9.988 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.452 -5.899 9.467 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.084 -6.102 8.787 1.00 0.00 H new ATOM 1076 N SER A 67 5.425 -5.147 10.575 1.00 0.00 N ATOM 1077 CA SER A 67 6.826 -5.433 10.811 1.00 0.00 C ATOM 1078 C SER A 67 7.571 -4.131 11.038 1.00 0.00 C ATOM 1079 O SER A 67 7.287 -3.384 11.973 1.00 0.00 O ATOM 1080 CB SER A 67 7.398 -6.217 9.620 1.00 0.00 C ATOM 1081 OG SER A 67 8.763 -6.548 9.811 1.00 0.00 O ATOM 0 H SER A 67 5.263 -4.383 9.919 1.00 0.00 H new ATOM 0 HA SER A 67 6.943 -6.049 11.702 1.00 0.00 H new ATOM 0 HB2 SER A 67 6.820 -7.130 9.475 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.292 -5.625 8.711 1.00 0.00 H new ATOM 0 HG SER A 67 9.090 -7.047 9.034 1.00 0.00 H new ATOM 1087 N ASP A 68 8.496 -3.870 10.163 1.00 0.00 N ATOM 1088 CA ASP A 68 9.263 -2.631 10.172 1.00 0.00 C ATOM 1089 C ASP A 68 9.829 -2.385 8.793 1.00 0.00 C ATOM 1090 O ASP A 68 9.647 -1.318 8.207 1.00 0.00 O ATOM 1091 CB ASP A 68 10.416 -2.725 11.170 1.00 0.00 C ATOM 1092 CG ASP A 68 11.050 -1.377 11.453 1.00 0.00 C ATOM 1093 OD1 ASP A 68 10.446 -0.573 12.194 1.00 0.00 O ATOM 1094 OD2 ASP A 68 12.153 -1.111 10.932 1.00 0.00 O ATOM 0 H ASP A 68 8.752 -4.509 9.410 1.00 0.00 H new ATOM 0 HA ASP A 68 8.604 -1.813 10.462 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.051 -3.154 12.103 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.174 -3.405 10.782 1.00 0.00 H new ATOM 1099 N ILE A 69 10.495 -3.399 8.277 1.00 0.00 N ATOM 1100 CA ILE A 69 11.076 -3.355 6.950 1.00 0.00 C ATOM 1101 C ILE A 69 10.917 -4.699 6.262 1.00 0.00 C ATOM 1102 O ILE A 69 10.992 -5.752 6.897 1.00 0.00 O ATOM 1103 CB ILE A 69 12.569 -2.980 6.988 1.00 0.00 C ATOM 1104 CG1 ILE A 69 13.229 -3.632 8.195 1.00 0.00 C ATOM 1105 CG2 ILE A 69 12.735 -1.467 7.029 1.00 0.00 C ATOM 1106 CD1 ILE A 69 14.741 -3.546 8.192 1.00 0.00 C ATOM 0 H ILE A 69 10.649 -4.280 8.768 1.00 0.00 H new ATOM 0 HA ILE A 69 10.544 -2.585 6.392 1.00 0.00 H new ATOM 0 HB ILE A 69 13.055 -3.346 6.084 1.00 0.00 H new ATOM 0 HG12 ILE A 69 12.850 -3.161 9.102 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.935 -4.681 8.234 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.796 -1.218 7.056 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.281 -1.027 6.141 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.247 -1.071 7.920 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.135 -4.033 9.084 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.132 -4.043 7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 69 15.046 -2.500 8.185 1.00 0.00 H new ATOM 1118 N LYS A 70 10.683 -4.652 4.972 1.00 0.00 N ATOM 1119 CA LYS A 70 10.492 -5.857 4.185 1.00 0.00 C ATOM 1120 C LYS A 70 11.398 -5.841 2.965 1.00 0.00 C ATOM 1121 O LYS A 70 11.195 -5.066 2.029 1.00 0.00 O ATOM 1122 CB LYS A 70 9.025 -6.008 3.769 1.00 0.00 C ATOM 1123 CG LYS A 70 8.754 -7.228 2.899 1.00 0.00 C ATOM 1124 CD LYS A 70 7.268 -7.391 2.618 1.00 0.00 C ATOM 1125 CE LYS A 70 7.001 -8.423 1.532 1.00 0.00 C ATOM 1126 NZ LYS A 70 7.422 -9.796 1.918 1.00 0.00 N ATOM 0 H LYS A 70 10.619 -3.786 4.437 1.00 0.00 H new ATOM 0 HA LYS A 70 10.758 -6.716 4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.408 -6.068 4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.716 -5.113 3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.295 -7.133 1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.132 -8.122 3.395 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.757 -7.688 3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.849 -6.431 2.316 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.937 -8.428 1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.527 -8.130 0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.185 -10.460 1.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.449 -9.811 2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.928 -10.079 2.788 1.00 0.00 H new ATOM 1140 N THR A 71 12.413 -6.683 3.006 1.00 0.00 N ATOM 1141 CA THR A 71 13.361 -6.819 1.917 1.00 0.00 C ATOM 1142 C THR A 71 12.832 -7.818 0.884 1.00 0.00 C ATOM 1143 O THR A 71 12.443 -8.930 1.252 1.00 0.00 O ATOM 1144 CB THR A 71 14.711 -7.291 2.490 1.00 0.00 C ATOM 1145 OG1 THR A 71 14.496 -8.362 3.423 1.00 0.00 O ATOM 1146 CG2 THR A 71 15.434 -6.144 3.190 1.00 0.00 C ATOM 0 H THR A 71 12.604 -7.295 3.800 1.00 0.00 H new ATOM 0 HA THR A 71 13.497 -5.859 1.419 1.00 0.00 H new ATOM 0 HB THR A 71 15.330 -7.642 1.664 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.753 -8.921 3.113 1.00 0.00 H new ATOM 0 HG21 THR A 71 16.384 -6.501 3.587 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.617 -5.340 2.477 1.00 0.00 H new ATOM 0 HG23 THR A 71 14.817 -5.770 4.007 1.00 0.00 H new ATOM 1154 N CYS A 72 12.805 -7.448 -0.402 1.00 0.00 N ATOM 1155 CA CYS A 72 12.133 -8.299 -1.392 1.00 0.00 C ATOM 1156 C CYS A 72 12.424 -7.890 -2.845 1.00 0.00 C ATOM 1157 O CYS A 72 11.706 -8.307 -3.755 1.00 0.00 O ATOM 1158 CB CYS A 72 10.619 -8.280 -1.132 1.00 0.00 C ATOM 1159 SG CYS A 72 9.668 -9.478 -2.100 1.00 0.00 S ATOM 0 H CYS A 72 13.225 -6.596 -0.773 1.00 0.00 H new ATOM 0 HA CYS A 72 12.531 -9.307 -1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.444 -8.469 -0.073 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.241 -7.280 -1.344 1.00 0.00 H new ATOM 0 HG CYS A 72 10.146 -9.537 -3.307 1.00 0.00 H new ATOM 1165 N ASP A 73 13.470 -7.090 -3.062 1.00 0.00 N ATOM 1166 CA ASP A 73 13.933 -6.720 -4.416 1.00 0.00 C ATOM 1167 C ASP A 73 12.963 -5.804 -5.182 1.00 0.00 C ATOM 1168 O ASP A 73 13.392 -4.878 -5.865 1.00 0.00 O ATOM 1169 CB ASP A 73 14.221 -7.977 -5.246 1.00 0.00 C ATOM 1170 CG ASP A 73 14.551 -7.664 -6.694 1.00 0.00 C ATOM 1171 OD1 ASP A 73 15.684 -7.221 -6.970 1.00 0.00 O ATOM 1172 OD2 ASP A 73 13.674 -7.863 -7.563 1.00 0.00 O ATOM 0 H ASP A 73 14.024 -6.677 -2.311 1.00 0.00 H new ATOM 0 HA ASP A 73 14.848 -6.146 -4.267 1.00 0.00 H new ATOM 0 HB2 ASP A 73 15.053 -8.520 -4.798 1.00 0.00 H new ATOM 0 HB3 ASP A 73 13.354 -8.637 -5.210 1.00 0.00 H new ATOM 1177 N HIS A 74 11.668 -6.052 -5.071 1.00 0.00 N ATOM 1178 CA HIS A 74 10.679 -5.349 -5.886 1.00 0.00 C ATOM 1179 C HIS A 74 10.395 -3.937 -5.368 1.00 0.00 C ATOM 1180 O HIS A 74 9.675 -3.171 -6.008 1.00 0.00 O ATOM 1181 CB HIS A 74 9.375 -6.154 -5.951 1.00 0.00 C ATOM 1182 CG HIS A 74 9.532 -7.508 -6.581 1.00 0.00 C ATOM 1183 ND1 HIS A 74 8.765 -8.598 -6.228 1.00 0.00 N ATOM 1184 CD2 HIS A 74 10.376 -7.944 -7.546 1.00 0.00 C ATOM 1185 CE1 HIS A 74 9.135 -9.644 -6.946 1.00 0.00 C ATOM 1186 NE2 HIS A 74 10.111 -9.275 -7.754 1.00 0.00 N ATOM 0 H HIS A 74 11.273 -6.735 -4.425 1.00 0.00 H new ATOM 0 HA HIS A 74 11.100 -5.251 -6.887 1.00 0.00 H new ATOM 0 HB2 HIS A 74 8.983 -6.276 -4.941 1.00 0.00 H new ATOM 0 HB3 HIS A 74 8.635 -5.585 -6.513 1.00 0.00 H new ATOM 0 HD2 HIS A 74 11.121 -7.353 -8.058 1.00 0.00 H new ATOM 0 HE1 HIS A 74 8.710 -10.635 -6.882 1.00 0.00 H new ATOM 0 HE2 HIS A 74 10.589 -9.879 -8.423 1.00 0.00 H new ATOM 1195 N TYR A 75 10.963 -3.586 -4.222 1.00 0.00 N ATOM 1196 CA TYR A 75 10.719 -2.273 -3.629 1.00 0.00 C ATOM 1197 C TYR A 75 11.937 -1.377 -3.820 1.00 0.00 C ATOM 1198 O TYR A 75 12.643 -1.046 -2.871 1.00 0.00 O ATOM 1199 CB TYR A 75 10.380 -2.416 -2.142 1.00 0.00 C ATOM 1200 CG TYR A 75 9.369 -3.510 -1.861 1.00 0.00 C ATOM 1201 CD1 TYR A 75 8.210 -3.621 -2.618 1.00 0.00 C ATOM 1202 CD2 TYR A 75 9.583 -4.439 -0.852 1.00 0.00 C ATOM 1203 CE1 TYR A 75 7.293 -4.623 -2.375 1.00 0.00 C ATOM 1204 CE2 TYR A 75 8.667 -5.448 -0.605 1.00 0.00 C ATOM 1205 CZ TYR A 75 7.524 -5.532 -1.371 1.00 0.00 C ATOM 1206 OH TYR A 75 6.608 -6.532 -1.136 1.00 0.00 O ATOM 0 H TYR A 75 11.591 -4.185 -3.686 1.00 0.00 H new ATOM 0 HA TYR A 75 9.869 -1.812 -4.131 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.294 -2.624 -1.586 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.991 -1.467 -1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.023 -2.911 -3.410 1.00 0.00 H new ATOM 0 HD2 TYR A 75 10.478 -4.374 -0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.396 -4.693 -2.972 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.847 -6.164 0.183 1.00 0.00 H new ATOM 0 HH TYR A 75 6.988 -7.394 -1.408 1.00 0.00 H new ATOM 1216 N GLN A 76 12.184 -1.003 -5.067 1.00 0.00 N ATOM 1217 CA GLN A 76 13.399 -0.295 -5.443 1.00 0.00 C ATOM 1218 C GLN A 76 13.291 1.211 -5.232 1.00 0.00 C ATOM 1219 O GLN A 76 14.070 1.974 -5.798 1.00 0.00 O ATOM 1220 CB GLN A 76 13.720 -0.583 -6.904 1.00 0.00 C ATOM 1221 CG GLN A 76 12.564 -0.302 -7.854 1.00 0.00 C ATOM 1222 CD GLN A 76 12.895 -0.625 -9.299 1.00 0.00 C ATOM 1223 OE1 GLN A 76 14.045 -0.513 -9.728 1.00 0.00 O ATOM 1224 NE2 GLN A 76 11.889 -1.030 -10.059 1.00 0.00 N ATOM 0 H GLN A 76 11.549 -1.181 -5.845 1.00 0.00 H new ATOM 0 HA GLN A 76 14.199 -0.655 -4.796 1.00 0.00 H new ATOM 0 HB2 GLN A 76 14.578 0.019 -7.203 1.00 0.00 H new ATOM 0 HB3 GLN A 76 14.013 -1.628 -7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 76 11.697 -0.886 -7.546 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.284 0.749 -7.777 1.00 0.00 H new ATOM 0 HE21 GLN A 76 10.952 -1.109 -9.665 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.052 -1.263 -11.039 1.00 0.00 H new ATOM 1233 N ASN A 77 12.334 1.632 -4.422 1.00 0.00 N ATOM 1234 CA ASN A 77 12.091 3.055 -4.208 1.00 0.00 C ATOM 1235 C ASN A 77 13.286 3.731 -3.546 1.00 0.00 C ATOM 1236 O ASN A 77 13.472 3.615 -2.343 1.00 0.00 O ATOM 1237 CB ASN A 77 10.840 3.277 -3.358 1.00 0.00 C ATOM 1238 CG ASN A 77 9.597 2.638 -3.949 1.00 0.00 C ATOM 1239 OD1 ASN A 77 8.671 2.286 -3.225 1.00 0.00 O ATOM 1240 ND2 ASN A 77 9.569 2.480 -5.264 1.00 0.00 N ATOM 0 H ASN A 77 11.712 1.013 -3.901 1.00 0.00 H new ATOM 0 HA ASN A 77 11.937 3.504 -5.189 1.00 0.00 H new ATOM 0 HB2 ASN A 77 11.010 2.872 -2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.671 4.348 -3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 77 8.757 2.052 -5.709 1.00 0.00 H new ATOM 0 HD22 ASN A 77 10.359 2.786 -5.831 1.00 0.00 H new ATOM 1247 N PHE A 78 14.089 4.391 -4.381 1.00 0.00 N ATOM 1248 CA PHE A 78 15.233 5.230 -3.990 1.00 0.00 C ATOM 1249 C PHE A 78 16.149 4.629 -2.896 1.00 0.00 C ATOM 1250 O PHE A 78 17.056 3.890 -3.270 1.00 0.00 O ATOM 1251 CB PHE A 78 14.797 6.677 -3.715 1.00 0.00 C ATOM 1252 CG PHE A 78 14.354 7.407 -4.951 1.00 0.00 C ATOM 1253 CD1 PHE A 78 15.265 8.107 -5.722 1.00 0.00 C ATOM 1254 CD2 PHE A 78 13.024 7.388 -5.345 1.00 0.00 C ATOM 1255 CE1 PHE A 78 14.863 8.775 -6.861 1.00 0.00 C ATOM 1256 CE2 PHE A 78 12.616 8.054 -6.484 1.00 0.00 C ATOM 1257 CZ PHE A 78 13.536 8.750 -7.242 1.00 0.00 C ATOM 0 H PHE A 78 13.958 4.357 -5.392 1.00 0.00 H new ATOM 0 HA PHE A 78 15.891 5.253 -4.859 1.00 0.00 H new ATOM 0 HB2 PHE A 78 13.982 6.673 -2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 78 15.625 7.219 -3.258 1.00 0.00 H new ATOM 0 HD1 PHE A 78 16.304 8.131 -5.429 1.00 0.00 H new ATOM 0 HD2 PHE A 78 12.300 6.846 -4.755 1.00 0.00 H new ATOM 0 HE1 PHE A 78 15.585 9.317 -7.454 1.00 0.00 H new ATOM 0 HE2 PHE A 78 11.578 8.030 -6.781 1.00 0.00 H new ATOM 0 HZ PHE A 78 13.219 9.274 -8.131 1.00 0.00 H new ATOM 1267 N PRO A 79 15.958 4.913 -1.559 1.00 0.00 N ATOM 1268 CA PRO A 79 16.865 4.491 -0.476 1.00 0.00 C ATOM 1269 C PRO A 79 17.697 3.244 -0.773 1.00 0.00 C ATOM 1270 O PRO A 79 18.907 3.355 -0.980 1.00 0.00 O ATOM 1271 CB PRO A 79 15.905 4.240 0.697 1.00 0.00 C ATOM 1272 CG PRO A 79 14.593 4.842 0.285 1.00 0.00 C ATOM 1273 CD PRO A 79 14.849 5.646 -0.950 1.00 0.00 C ATOM 0 HA PRO A 79 17.626 5.250 -0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 79 15.801 3.173 0.896 1.00 0.00 H new ATOM 0 HB3 PRO A 79 16.277 4.700 1.612 1.00 0.00 H new ATOM 0 HG2 PRO A 79 13.855 4.063 0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 79 14.192 5.472 1.079 1.00 0.00 H new ATOM 0 HD2 PRO A 79 13.976 5.683 -1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 79 15.118 6.677 -0.719 1.00 0.00 H new ATOM 1281 N LEU A 80 17.047 2.079 -0.796 1.00 0.00 N ATOM 1282 CA LEU A 80 17.711 0.813 -1.136 1.00 0.00 C ATOM 1283 C LEU A 80 18.694 0.396 -0.028 1.00 0.00 C ATOM 1284 O LEU A 80 19.597 1.143 0.349 1.00 0.00 O ATOM 1285 CB LEU A 80 18.420 0.955 -2.496 1.00 0.00 C ATOM 1286 CG LEU A 80 18.459 -0.286 -3.381 1.00 0.00 C ATOM 1287 CD1 LEU A 80 19.213 0.014 -4.664 1.00 0.00 C ATOM 1288 CD2 LEU A 80 19.099 -1.446 -2.657 1.00 0.00 C ATOM 0 H LEU A 80 16.054 1.983 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 80 16.963 0.024 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.931 1.755 -3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.446 1.275 -2.313 1.00 0.00 H new ATOM 0 HG LEU A 80 17.434 -0.564 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 80 19.236 -0.878 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.713 0.821 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 80 20.233 0.315 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 80 19.114 -2.319 -3.310 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.120 -1.183 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.526 -1.675 -1.759 1.00 0.00 H new ATOM 1300 N TYR A 81 18.495 -0.806 0.492 1.00 0.00 N ATOM 1301 CA TYR A 81 19.326 -1.342 1.562 1.00 0.00 C ATOM 1302 C TYR A 81 20.669 -1.785 0.989 1.00 0.00 C ATOM 1303 O TYR A 81 20.731 -2.688 0.159 1.00 0.00 O ATOM 1304 CB TYR A 81 18.598 -2.522 2.213 1.00 0.00 C ATOM 1305 CG TYR A 81 19.133 -2.941 3.562 1.00 0.00 C ATOM 1306 CD1 TYR A 81 18.730 -2.289 4.720 1.00 0.00 C ATOM 1307 CD2 TYR A 81 20.012 -4.010 3.682 1.00 0.00 C ATOM 1308 CE1 TYR A 81 19.188 -2.688 5.959 1.00 0.00 C ATOM 1309 CE2 TYR A 81 20.479 -4.411 4.917 1.00 0.00 C ATOM 1310 CZ TYR A 81 20.062 -3.749 6.052 1.00 0.00 C ATOM 1311 OH TYR A 81 20.514 -4.156 7.285 1.00 0.00 O ATOM 0 H TYR A 81 17.755 -1.437 0.185 1.00 0.00 H new ATOM 0 HA TYR A 81 19.509 -0.578 2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.545 -2.263 2.322 1.00 0.00 H new ATOM 0 HB3 TYR A 81 18.648 -3.377 1.538 1.00 0.00 H new ATOM 0 HD1 TYR A 81 18.047 -1.456 4.650 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.335 -4.535 2.795 1.00 0.00 H new ATOM 0 HE1 TYR A 81 18.863 -2.172 6.850 1.00 0.00 H new ATOM 0 HE2 TYR A 81 21.168 -5.239 4.994 1.00 0.00 H new ATOM 0 HH TYR A 81 21.122 -4.917 7.176 1.00 0.00 H new ATOM 1401 N GLU A 88 19.564 -4.506 -1.455 1.00 0.00 N ATOM 1402 CA GLU A 88 18.236 -5.039 -1.269 1.00 0.00 C ATOM 1403 C GLU A 88 17.205 -3.931 -1.298 1.00 0.00 C ATOM 1404 O GLU A 88 17.272 -2.968 -0.538 1.00 0.00 O ATOM 1405 CB GLU A 88 18.179 -5.809 0.043 1.00 0.00 C ATOM 1406 CG GLU A 88 16.838 -6.449 0.311 1.00 0.00 C ATOM 1407 CD GLU A 88 16.343 -7.303 -0.832 1.00 0.00 C ATOM 1408 OE1 GLU A 88 15.687 -6.755 -1.738 1.00 0.00 O ATOM 1409 OE2 GLU A 88 16.589 -8.524 -0.817 1.00 0.00 O ATOM 0 HA GLU A 88 18.005 -5.721 -2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 88 18.946 -6.583 0.034 1.00 0.00 H new ATOM 0 HB3 GLU A 88 18.419 -5.132 0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.909 -7.063 1.209 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.105 -5.668 0.516 1.00 0.00 H new ATOM 1416 N HIS A 89 16.248 -4.079 -2.181 1.00 0.00 N ATOM 1417 CA HIS A 89 15.239 -3.066 -2.379 1.00 0.00 C ATOM 1418 C HIS A 89 14.092 -3.326 -1.409 1.00 0.00 C ATOM 1419 O HIS A 89 13.287 -4.239 -1.616 1.00 0.00 O ATOM 1420 CB HIS A 89 14.745 -3.087 -3.828 1.00 0.00 C ATOM 1421 CG HIS A 89 15.842 -3.139 -4.854 1.00 0.00 C ATOM 1422 ND1 HIS A 89 16.428 -2.018 -5.405 1.00 0.00 N ATOM 1423 CD2 HIS A 89 16.453 -4.199 -5.437 1.00 0.00 C ATOM 1424 CE1 HIS A 89 17.345 -2.391 -6.279 1.00 0.00 C ATOM 1425 NE2 HIS A 89 17.382 -3.707 -6.318 1.00 0.00 N ATOM 0 H HIS A 89 16.146 -4.899 -2.779 1.00 0.00 H new ATOM 0 HA HIS A 89 15.658 -2.078 -2.186 1.00 0.00 H new ATOM 0 HB2 HIS A 89 14.094 -3.950 -3.965 1.00 0.00 H new ATOM 0 HB3 HIS A 89 14.139 -2.199 -4.006 1.00 0.00 H new ATOM 0 HD2 HIS A 89 16.246 -5.241 -5.243 1.00 0.00 H new ATOM 0 HE1 HIS A 89 17.963 -1.727 -6.865 1.00 0.00 H new ATOM 0 HE2 HIS A 89 17.999 -4.267 -6.906 1.00 0.00 H new ATOM 1434 N TYR A 90 14.035 -2.538 -0.345 1.00 0.00 N ATOM 1435 CA TYR A 90 13.120 -2.803 0.759 1.00 0.00 C ATOM 1436 C TYR A 90 12.046 -1.725 0.873 1.00 0.00 C ATOM 1437 O TYR A 90 12.202 -0.618 0.361 1.00 0.00 O ATOM 1438 CB TYR A 90 13.899 -2.879 2.078 1.00 0.00 C ATOM 1439 CG TYR A 90 14.385 -1.533 2.580 1.00 0.00 C ATOM 1440 CD1 TYR A 90 15.429 -0.865 1.951 1.00 0.00 C ATOM 1441 CD2 TYR A 90 13.795 -0.929 3.684 1.00 0.00 C ATOM 1442 CE1 TYR A 90 15.870 0.364 2.409 1.00 0.00 C ATOM 1443 CE2 TYR A 90 14.231 0.298 4.146 1.00 0.00 C ATOM 1444 CZ TYR A 90 15.267 0.941 3.505 1.00 0.00 C ATOM 1445 OH TYR A 90 15.706 2.162 3.966 1.00 0.00 O ATOM 0 H TYR A 90 14.613 -1.707 -0.222 1.00 0.00 H new ATOM 0 HA TYR A 90 12.630 -3.755 0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 90 13.264 -3.332 2.839 1.00 0.00 H new ATOM 0 HB3 TYR A 90 14.757 -3.538 1.945 1.00 0.00 H new ATOM 0 HD1 TYR A 90 15.904 -1.313 1.090 1.00 0.00 H new ATOM 0 HD2 TYR A 90 12.981 -1.428 4.190 1.00 0.00 H new ATOM 0 HE1 TYR A 90 16.684 0.869 1.909 1.00 0.00 H new ATOM 0 HE2 TYR A 90 13.761 0.751 5.006 1.00 0.00 H new ATOM 0 HH TYR A 90 15.174 2.428 4.745 1.00 0.00 H new ATOM 1455 N GLY A 91 10.968 -2.068 1.559 1.00 0.00 N ATOM 1456 CA GLY A 91 9.922 -1.113 1.851 1.00 0.00 C ATOM 1457 C GLY A 91 9.323 -1.370 3.216 1.00 0.00 C ATOM 1458 O GLY A 91 9.650 -2.371 3.853 1.00 0.00 O ATOM 0 H GLY A 91 10.798 -3.005 1.923 1.00 0.00 H new ATOM 0 HA2 GLY A 91 10.326 -0.101 1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 91 9.144 -1.176 1.090 1.00 0.00 H new ATOM 1462 N ILE A 92 8.452 -0.484 3.673 1.00 0.00 N ATOM 1463 CA ILE A 92 7.839 -0.639 4.987 1.00 0.00 C ATOM 1464 C ILE A 92 6.492 -1.354 4.870 1.00 0.00 C ATOM 1465 O ILE A 92 5.561 -0.852 4.232 1.00 0.00 O ATOM 1466 CB ILE A 92 7.640 0.714 5.719 1.00 0.00 C ATOM 1467 CG1 ILE A 92 8.979 1.429 5.949 1.00 0.00 C ATOM 1468 CG2 ILE A 92 6.935 0.502 7.055 1.00 0.00 C ATOM 1469 CD1 ILE A 92 9.542 2.116 4.723 1.00 0.00 C ATOM 0 H ILE A 92 8.154 0.345 3.159 1.00 0.00 H new ATOM 0 HA ILE A 92 8.529 -1.239 5.580 1.00 0.00 H new ATOM 0 HB ILE A 92 7.019 1.343 5.081 1.00 0.00 H new ATOM 0 HG12 ILE A 92 8.850 2.170 6.738 1.00 0.00 H new ATOM 0 HG13 ILE A 92 9.707 0.703 6.310 1.00 0.00 H new ATOM 0 HG21 ILE A 92 6.804 1.462 7.554 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.960 0.046 6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 92 7.537 -0.154 7.684 1.00 0.00 H new ATOM 0 HD11 ILE A 92 10.488 2.595 4.976 1.00 0.00 H new ATOM 0 HD12 ILE A 92 9.707 1.379 3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 92 8.837 2.869 4.372 1.00 0.00 H new ATOM 1481 N PRO A 93 6.384 -2.547 5.473 1.00 0.00 N ATOM 1482 CA PRO A 93 5.151 -3.339 5.464 1.00 0.00 C ATOM 1483 C PRO A 93 4.083 -2.787 6.406 1.00 0.00 C ATOM 1484 O PRO A 93 4.233 -2.816 7.630 1.00 0.00 O ATOM 1485 CB PRO A 93 5.615 -4.720 5.926 1.00 0.00 C ATOM 1486 CG PRO A 93 6.825 -4.462 6.755 1.00 0.00 C ATOM 1487 CD PRO A 93 7.473 -3.224 6.198 1.00 0.00 C ATOM 0 HA PRO A 93 4.678 -3.337 4.482 1.00 0.00 H new ATOM 0 HB2 PRO A 93 4.840 -5.224 6.504 1.00 0.00 H new ATOM 0 HB3 PRO A 93 5.848 -5.363 5.077 1.00 0.00 H new ATOM 0 HG2 PRO A 93 6.554 -4.320 7.801 1.00 0.00 H new ATOM 0 HG3 PRO A 93 7.510 -5.309 6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 93 7.877 -2.594 6.990 1.00 0.00 H new ATOM 0 HD3 PRO A 93 8.301 -3.471 5.534 1.00 0.00 H new ATOM 1495 N HIS A 94 3.005 -2.282 5.828 1.00 0.00 N ATOM 1496 CA HIS A 94 1.906 -1.729 6.607 1.00 0.00 C ATOM 1497 C HIS A 94 0.755 -2.721 6.694 1.00 0.00 C ATOM 1498 O HIS A 94 0.868 -3.869 6.253 1.00 0.00 O ATOM 1499 CB HIS A 94 1.407 -0.418 5.986 1.00 0.00 C ATOM 1500 CG HIS A 94 2.407 0.698 6.029 1.00 0.00 C ATOM 1501 ND1 HIS A 94 3.490 0.767 5.184 1.00 0.00 N ATOM 1502 CD2 HIS A 94 2.481 1.793 6.823 1.00 0.00 C ATOM 1503 CE1 HIS A 94 4.189 1.851 5.456 1.00 0.00 C ATOM 1504 NE2 HIS A 94 3.601 2.496 6.445 1.00 0.00 N ATOM 0 H HIS A 94 2.866 -2.243 4.818 1.00 0.00 H new ATOM 0 HA HIS A 94 2.278 -1.528 7.612 1.00 0.00 H new ATOM 0 HB2 HIS A 94 1.129 -0.603 4.948 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.503 -0.102 6.507 1.00 0.00 H new ATOM 0 HD1 HIS A 94 3.717 0.086 4.460 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.789 2.064 7.607 1.00 0.00 H new ATOM 0 HE1 HIS A 94 5.093 2.160 4.953 1.00 0.00 H new ATOM 0 HE2 HIS A 94 3.923 3.370 6.860 1.00 0.00 H new ATOM 1513 N GLY A 95 -0.356 -2.252 7.234 1.00 0.00 N ATOM 1514 CA GLY A 95 -1.536 -3.067 7.404 1.00 0.00 C ATOM 1515 C GLY A 95 -2.664 -2.229 7.959 1.00 0.00 C ATOM 1516 O GLY A 95 -2.419 -1.169 8.542 1.00 0.00 O ATOM 0 H GLY A 95 -0.461 -1.293 7.566 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.830 -3.501 6.448 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.322 -3.896 8.078 1.00 0.00 H new ATOM 1520 N PHE A 96 -3.893 -2.677 7.774 1.00 0.00 N ATOM 1521 CA PHE A 96 -5.049 -1.867 8.122 1.00 0.00 C ATOM 1522 C PHE A 96 -6.136 -2.726 8.726 1.00 0.00 C ATOM 1523 O PHE A 96 -6.477 -3.772 8.183 1.00 0.00 O ATOM 1524 CB PHE A 96 -5.598 -1.151 6.884 1.00 0.00 C ATOM 1525 CG PHE A 96 -4.607 -0.233 6.239 1.00 0.00 C ATOM 1526 CD1 PHE A 96 -4.493 1.080 6.654 1.00 0.00 C ATOM 1527 CD2 PHE A 96 -3.781 -0.691 5.227 1.00 0.00 C ATOM 1528 CE1 PHE A 96 -3.574 1.923 6.070 1.00 0.00 C ATOM 1529 CE2 PHE A 96 -2.860 0.149 4.641 1.00 0.00 C ATOM 1530 CZ PHE A 96 -2.754 1.458 5.063 1.00 0.00 C ATOM 0 H PHE A 96 -4.117 -3.594 7.386 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.730 -1.124 8.853 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -5.920 -1.896 6.156 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.482 -0.579 7.167 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -5.131 1.449 7.444 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.859 -1.715 4.894 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -3.495 2.948 6.400 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.221 -0.217 3.851 1.00 0.00 H new ATOM 0 HZ PHE A 96 -2.031 2.117 4.606 1.00 0.00 H new ATOM 1540 N SER A 97 -6.671 -2.282 9.845 1.00 0.00 N ATOM 1541 CA SER A 97 -7.755 -2.989 10.502 1.00 0.00 C ATOM 1542 C SER A 97 -9.113 -2.589 9.921 1.00 0.00 C ATOM 1543 O SER A 97 -10.138 -3.191 10.240 1.00 0.00 O ATOM 1544 CB SER A 97 -7.711 -2.713 12.004 1.00 0.00 C ATOM 1545 OG SER A 97 -7.594 -1.322 12.259 1.00 0.00 O ATOM 0 H SER A 97 -6.372 -1.431 10.321 1.00 0.00 H new ATOM 0 HA SER A 97 -7.626 -4.057 10.329 1.00 0.00 H new ATOM 0 HB2 SER A 97 -8.615 -3.099 12.476 1.00 0.00 H new ATOM 0 HB3 SER A 97 -6.868 -3.241 12.451 1.00 0.00 H new ATOM 0 HG SER A 97 -7.569 -1.168 13.226 1.00 0.00 H new ATOM 1551 N SER A 98 -9.122 -1.572 9.066 1.00 0.00 N ATOM 1552 CA SER A 98 -10.362 -1.094 8.477 1.00 0.00 C ATOM 1553 C SER A 98 -10.095 -0.367 7.158 1.00 0.00 C ATOM 1554 O SER A 98 -9.061 0.294 6.995 1.00 0.00 O ATOM 1555 CB SER A 98 -11.085 -0.166 9.459 1.00 0.00 C ATOM 1556 OG SER A 98 -12.405 0.118 9.025 1.00 0.00 O ATOM 0 H SER A 98 -8.288 -1.067 8.768 1.00 0.00 H new ATOM 0 HA SER A 98 -10.998 -1.954 8.267 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.116 -0.630 10.445 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.526 0.764 9.562 1.00 0.00 H new ATOM 0 HG SER A 98 -12.894 0.575 9.741 1.00 0.00 H new ATOM 1562 N ARG A 99 -11.025 -0.509 6.215 1.00 0.00 N ATOM 1563 CA ARG A 99 -10.906 0.130 4.904 1.00 0.00 C ATOM 1564 C ARG A 99 -10.835 1.643 5.035 1.00 0.00 C ATOM 1565 O ARG A 99 -10.079 2.291 4.320 1.00 0.00 O ATOM 1566 CB ARG A 99 -12.078 -0.260 4.005 1.00 0.00 C ATOM 1567 CG ARG A 99 -12.172 -1.750 3.747 1.00 0.00 C ATOM 1568 CD ARG A 99 -13.398 -2.097 2.923 1.00 0.00 C ATOM 1569 NE ARG A 99 -13.282 -1.634 1.544 1.00 0.00 N ATOM 1570 CZ ARG A 99 -14.121 -0.774 0.971 1.00 0.00 C ATOM 1571 NH1 ARG A 99 -15.101 -0.220 1.672 1.00 0.00 N ATOM 1572 NH2 ARG A 99 -13.970 -0.466 -0.305 1.00 0.00 N ATOM 0 H ARG A 99 -11.873 -1.063 6.335 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.979 -0.220 4.449 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.006 0.081 4.464 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.984 0.260 3.052 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -11.276 -2.087 3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.208 -2.283 4.697 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.546 -3.177 2.931 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -14.281 -1.651 3.382 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.509 -1.992 0.983 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -15.217 -0.452 2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.739 0.438 1.225 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -13.214 -0.887 -0.845 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.610 0.192 -0.750 1.00 0.00 H new ATOM 1586 N ILE A 100 -11.619 2.201 5.951 1.00 0.00 N ATOM 1587 CA ILE A 100 -11.618 3.641 6.180 1.00 0.00 C ATOM 1588 C ILE A 100 -10.232 4.134 6.606 1.00 0.00 C ATOM 1589 O ILE A 100 -9.839 5.253 6.283 1.00 0.00 O ATOM 1590 CB ILE A 100 -12.672 4.059 7.231 1.00 0.00 C ATOM 1591 CG1 ILE A 100 -12.712 5.583 7.384 1.00 0.00 C ATOM 1592 CG2 ILE A 100 -12.388 3.403 8.571 1.00 0.00 C ATOM 1593 CD1 ILE A 100 -13.092 6.314 6.112 1.00 0.00 C ATOM 0 H ILE A 100 -12.262 1.679 6.546 1.00 0.00 H new ATOM 0 HA ILE A 100 -11.882 4.109 5.232 1.00 0.00 H new ATOM 0 HB ILE A 100 -13.647 3.721 6.881 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.424 5.842 8.168 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -11.734 5.932 7.714 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -13.142 3.712 9.295 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -12.415 2.319 8.459 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.402 3.707 8.923 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.099 7.388 6.298 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -12.367 6.086 5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -14.084 5.995 5.791 1.00 0.00 H new ATOM 1605 N ALA A 101 -9.484 3.294 7.311 1.00 0.00 N ATOM 1606 CA ALA A 101 -8.140 3.660 7.727 1.00 0.00 C ATOM 1607 C ALA A 101 -7.222 3.726 6.519 1.00 0.00 C ATOM 1608 O ALA A 101 -6.417 4.640 6.400 1.00 0.00 O ATOM 1609 CB ALA A 101 -7.599 2.681 8.758 1.00 0.00 C ATOM 0 H ALA A 101 -9.783 2.364 7.603 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.181 4.644 8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -6.592 2.980 9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.247 2.681 9.635 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.570 1.680 8.329 1.00 0.00 H new ATOM 1615 N LEU A 102 -7.360 2.758 5.619 1.00 0.00 N ATOM 1616 CA LEU A 102 -6.626 2.776 4.356 1.00 0.00 C ATOM 1617 C LEU A 102 -7.068 3.971 3.513 1.00 0.00 C ATOM 1618 O LEU A 102 -6.255 4.634 2.865 1.00 0.00 O ATOM 1619 CB LEU A 102 -6.859 1.464 3.595 1.00 0.00 C ATOM 1620 CG LEU A 102 -6.306 1.407 2.165 1.00 0.00 C ATOM 1621 CD1 LEU A 102 -4.806 1.652 2.146 1.00 0.00 C ATOM 1622 CD2 LEU A 102 -6.630 0.064 1.532 1.00 0.00 C ATOM 0 H LEU A 102 -7.972 1.951 5.739 1.00 0.00 H new ATOM 0 HA LEU A 102 -5.560 2.872 4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -6.413 0.651 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.932 1.276 3.556 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.782 2.197 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.443 1.605 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.593 2.637 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -4.305 0.890 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.233 0.035 0.517 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.179 -0.734 2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.711 -0.073 1.503 1.00 0.00 H new ATOM 1634 N GLU A 103 -8.363 4.243 3.554 1.00 0.00 N ATOM 1635 CA GLU A 103 -8.953 5.368 2.846 1.00 0.00 C ATOM 1636 C GLU A 103 -8.338 6.682 3.334 1.00 0.00 C ATOM 1637 O GLU A 103 -7.868 7.502 2.541 1.00 0.00 O ATOM 1638 CB GLU A 103 -10.468 5.369 3.080 1.00 0.00 C ATOM 1639 CG GLU A 103 -11.271 6.047 1.989 1.00 0.00 C ATOM 1640 CD GLU A 103 -12.763 5.902 2.202 1.00 0.00 C ATOM 1641 OE1 GLU A 103 -13.274 4.762 2.137 1.00 0.00 O ATOM 1642 OE2 GLU A 103 -13.439 6.928 2.422 1.00 0.00 O ATOM 0 H GLU A 103 -9.037 3.688 4.081 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.752 5.273 1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.809 4.338 3.177 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -10.676 5.864 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -11.012 7.105 1.954 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -11.001 5.621 1.023 1.00 0.00 H new ATOM 1649 N ARG A 104 -8.330 6.867 4.650 1.00 0.00 N ATOM 1650 CA ARG A 104 -7.750 8.063 5.256 1.00 0.00 C ATOM 1651 C ARG A 104 -6.233 8.054 5.133 1.00 0.00 C ATOM 1652 O ARG A 104 -5.598 9.103 5.133 1.00 0.00 O ATOM 1653 CB ARG A 104 -8.157 8.193 6.726 1.00 0.00 C ATOM 1654 CG ARG A 104 -9.659 8.275 6.933 1.00 0.00 C ATOM 1655 CD ARG A 104 -10.015 8.942 8.251 1.00 0.00 C ATOM 1656 NE ARG A 104 -9.428 10.279 8.369 1.00 0.00 N ATOM 1657 CZ ARG A 104 -9.892 11.364 7.741 1.00 0.00 C ATOM 1658 NH1 ARG A 104 -10.928 11.272 6.914 1.00 0.00 N ATOM 1659 NH2 ARG A 104 -9.311 12.541 7.933 1.00 0.00 N ATOM 0 H ARG A 104 -8.719 6.203 5.320 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.139 8.925 4.714 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.768 7.338 7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -7.691 9.084 7.147 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -10.109 8.832 6.111 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.084 7.272 6.908 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -11.099 9.014 8.339 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -9.668 8.320 9.077 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.611 10.389 8.970 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.375 10.369 6.755 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.276 12.104 6.438 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.510 12.618 8.560 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.665 13.369 7.454 1.00 0.00 H new ATOM 1673 N TYR A 105 -5.660 6.862 5.037 1.00 0.00 N ATOM 1674 CA TYR A 105 -4.222 6.706 4.865 1.00 0.00 C ATOM 1675 C TYR A 105 -3.769 7.392 3.584 1.00 0.00 C ATOM 1676 O TYR A 105 -2.850 8.210 3.597 1.00 0.00 O ATOM 1677 CB TYR A 105 -3.865 5.220 4.826 1.00 0.00 C ATOM 1678 CG TYR A 105 -2.386 4.930 4.737 1.00 0.00 C ATOM 1679 CD1 TYR A 105 -1.590 4.948 5.872 1.00 0.00 C ATOM 1680 CD2 TYR A 105 -1.792 4.619 3.522 1.00 0.00 C ATOM 1681 CE1 TYR A 105 -0.242 4.666 5.801 1.00 0.00 C ATOM 1682 CE2 TYR A 105 -0.443 4.339 3.441 1.00 0.00 C ATOM 1683 CZ TYR A 105 0.328 4.362 4.584 1.00 0.00 C ATOM 1684 OH TYR A 105 1.672 4.075 4.510 1.00 0.00 O ATOM 0 H TYR A 105 -6.174 5.982 5.076 1.00 0.00 H new ATOM 0 HA TYR A 105 -3.709 7.172 5.707 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.262 4.741 5.721 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -4.363 4.763 3.971 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -2.033 5.187 6.828 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.395 4.596 2.626 1.00 0.00 H new ATOM 0 HE1 TYR A 105 0.364 4.683 6.695 1.00 0.00 H new ATOM 0 HE2 TYR A 105 0.006 4.103 2.488 1.00 0.00 H new ATOM 0 HH TYR A 105 1.794 3.169 4.156 1.00 0.00 H new ATOM 1694 N LEU A 106 -4.434 7.064 2.485 1.00 0.00 N ATOM 1695 CA LEU A 106 -4.142 7.676 1.197 1.00 0.00 C ATOM 1696 C LEU A 106 -4.358 9.184 1.259 1.00 0.00 C ATOM 1697 O LEU A 106 -3.626 9.953 0.635 1.00 0.00 O ATOM 1698 CB LEU A 106 -5.024 7.064 0.106 1.00 0.00 C ATOM 1699 CG LEU A 106 -4.865 5.553 -0.085 1.00 0.00 C ATOM 1700 CD1 LEU A 106 -5.818 5.048 -1.154 1.00 0.00 C ATOM 1701 CD2 LEU A 106 -3.430 5.205 -0.445 1.00 0.00 C ATOM 0 H LEU A 106 -5.184 6.373 2.461 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.097 7.484 0.955 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.067 7.277 0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -4.803 7.560 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 106 -5.111 5.062 0.857 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.691 3.972 -1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.845 5.261 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.603 5.548 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.339 4.127 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.155 5.708 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.765 5.531 0.355 1.00 0.00 H new ATOM 1713 N ASN A 107 -5.355 9.595 2.040 1.00 0.00 N ATOM 1714 CA ASN A 107 -5.704 11.006 2.179 1.00 0.00 C ATOM 1715 C ASN A 107 -4.699 11.762 3.040 1.00 0.00 C ATOM 1716 O ASN A 107 -4.465 12.944 2.832 1.00 0.00 O ATOM 1717 CB ASN A 107 -7.099 11.158 2.787 1.00 0.00 C ATOM 1718 CG ASN A 107 -8.208 11.125 1.753 1.00 0.00 C ATOM 1719 OD1 ASN A 107 -8.568 12.155 1.187 1.00 0.00 O ATOM 1720 ND2 ASN A 107 -8.761 9.948 1.502 1.00 0.00 N ATOM 0 H ASN A 107 -5.939 8.965 2.590 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.688 11.435 1.177 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.262 10.359 3.511 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.149 12.099 3.334 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.514 9.874 0.818 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -8.434 9.116 1.993 1.00 0.00 H new ATOM 1727 N GLY A 108 -4.125 11.086 4.020 1.00 0.00 N ATOM 1728 CA GLY A 108 -3.187 11.739 4.911 1.00 0.00 C ATOM 1729 C GLY A 108 -1.755 11.658 4.421 1.00 0.00 C ATOM 1730 O GLY A 108 -0.974 12.591 4.608 1.00 0.00 O ATOM 0 H GLY A 108 -4.290 10.099 4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.469 12.786 5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -3.254 11.283 5.899 1.00 0.00 H new ATOM 1734 N LEU A 109 -1.401 10.534 3.817 1.00 0.00 N ATOM 1735 CA LEU A 109 -0.039 10.314 3.358 1.00 0.00 C ATOM 1736 C LEU A 109 0.222 10.992 2.013 1.00 0.00 C ATOM 1737 O LEU A 109 1.037 11.913 1.919 1.00 0.00 O ATOM 1738 CB LEU A 109 0.253 8.817 3.254 1.00 0.00 C ATOM 1739 CG LEU A 109 1.732 8.464 3.094 1.00 0.00 C ATOM 1740 CD1 LEU A 109 2.505 8.874 4.334 1.00 0.00 C ATOM 1741 CD2 LEU A 109 1.907 6.979 2.827 1.00 0.00 C ATOM 0 H LEU A 109 -2.039 9.760 3.633 1.00 0.00 H new ATOM 0 HA LEU A 109 0.630 10.761 4.093 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.130 8.323 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.297 8.411 2.405 1.00 0.00 H new ATOM 0 HG LEU A 109 2.126 9.011 2.237 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.557 8.618 4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.409 9.949 4.484 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.105 8.350 5.202 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.967 6.752 2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.498 6.409 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.381 6.710 1.911 1.00 0.00 H new ATOM 1753 N PHE A 110 -0.480 10.537 0.978 1.00 0.00 N ATOM 1754 CA PHE A 110 -0.203 10.973 -0.388 1.00 0.00 C ATOM 1755 C PHE A 110 -1.054 12.178 -0.773 1.00 0.00 C ATOM 1756 O PHE A 110 -0.544 13.164 -1.308 1.00 0.00 O ATOM 1757 CB PHE A 110 -0.455 9.830 -1.370 1.00 0.00 C ATOM 1758 CG PHE A 110 0.353 8.596 -1.085 1.00 0.00 C ATOM 1759 CD1 PHE A 110 1.739 8.632 -1.135 1.00 0.00 C ATOM 1760 CD2 PHE A 110 -0.270 7.400 -0.767 1.00 0.00 C ATOM 1761 CE1 PHE A 110 2.484 7.501 -0.876 1.00 0.00 C ATOM 1762 CE2 PHE A 110 0.473 6.264 -0.507 1.00 0.00 C ATOM 1763 CZ PHE A 110 1.852 6.316 -0.562 1.00 0.00 C ATOM 0 H PHE A 110 -1.245 9.867 1.059 1.00 0.00 H new ATOM 0 HA PHE A 110 0.845 11.267 -0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -1.514 9.572 -1.349 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -0.231 10.175 -2.379 1.00 0.00 H new ATOM 0 HD1 PHE A 110 2.240 9.557 -1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -1.348 7.355 -0.722 1.00 0.00 H new ATOM 0 HE1 PHE A 110 3.562 7.543 -0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.024 5.337 -0.261 1.00 0.00 H new ATOM 0 HZ PHE A 110 2.435 5.430 -0.359 1.00 0.00 H new