USER MOD reduce.3.24.130724 H: found=0, std=0, add=961, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 959 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 105 GLN : amide:sc=-0.00243 X(o=-0.099,f=-0.37) USER MOD Set 1.2: A 109 LYS NZ :NH3+ 157:sc= -0.0964 (180deg=-0.666) USER MOD Set 2.1: A 96 GLN : amide:sc= -6.41! C(o=-5.6!,f=-13!) USER MOD Set 2.2: A 98 TYR OH : rot -53:sc= 0.801 USER MOD Set 3.1: A 73 LYS NZ :NH3+ 155:sc= 1.05 (180deg=0) USER MOD Set 3.2: A 121 SER OG : rot -40:sc= 0.912 USER MOD Set 4.1: A 45 CYS SG : rot 67:sc= -1.4! USER MOD Set 4.2: A 67 GLN :FLIP amide:sc= -1.36 F(o=-3.3,f=-2.8) USER MOD Set 5.1: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 52 ASN : amide:sc= -2.79! X(o=-2.8!,f=-2.5) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0985 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.155 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.9!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0136 X(o=-0.014,f=0.19) USER MOD Single : A 28 ASN : amide:sc= -0.689 X(o=-0.69,f=-0.35) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.0108 X(o=-0.011,f=-0.00038) USER MOD Single : A 44 ASN : amide:sc= -0.915 X(o=-0.91,f=-0.66) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -117:sc= -1.35 (180deg=-7.87!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0872 USER MOD Single : A 78 THR OG1 : rot 135:sc= 0.232 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.39 K(o=-0.39,f=-2.5) USER MOD Single : A 82 LYS NZ :NH3+ -175:sc=0.000996 (180deg=0.000121) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -113:sc= 0.269 USER MOD Single : A 88 CYS SG : rot -63:sc= -3.04 USER MOD Single : A 92 ASN : amide:sc= -0.0475 X(o=-0.047,f=-0.38) USER MOD Single : A 95 SER OG : rot 36:sc= 0.124 USER MOD Single : A 101 GLN : amide:sc= -0.0116 X(o=-0.012,f=0) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 165:sc= 1.43 (180deg=0.786) USER MOD Single : A 116 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.7) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 119 SER OG : rot -51:sc= -0.816 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.571 -4.662 17.865 1.00 0.00 N ATOM 2 CA GLY A 1 -3.094 -4.139 16.614 1.00 0.00 C ATOM 3 C GLY A 1 -4.489 -4.698 16.326 1.00 0.00 C ATOM 4 O GLY A 1 -5.066 -5.396 17.159 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.463 -3.885 18.548 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.230 -5.370 18.248 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.646 -5.106 17.696 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.137 -3.051 16.660 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.419 -4.397 15.798 1.00 0.00 H new ATOM 8 N SER A 2 -4.990 -4.371 15.144 1.00 0.00 N ATOM 9 CA SER A 2 -6.306 -4.832 14.736 1.00 0.00 C ATOM 10 C SER A 2 -6.283 -5.246 13.264 1.00 0.00 C ATOM 11 O SER A 2 -5.296 -5.017 12.567 1.00 0.00 O ATOM 12 CB SER A 2 -7.364 -3.751 14.967 1.00 0.00 C ATOM 13 OG SER A 2 -8.503 -4.257 15.658 1.00 0.00 O ATOM 0 H SER A 2 -4.508 -3.792 14.456 1.00 0.00 H new ATOM 0 HA SER A 2 -6.569 -5.697 15.345 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.927 -2.933 15.539 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.676 -3.338 14.008 1.00 0.00 H new ATOM 0 HG SER A 2 -9.154 -3.536 15.787 1.00 0.00 H new ATOM 19 N SER A 3 -7.381 -5.850 12.834 1.00 0.00 N ATOM 20 CA SER A 3 -7.499 -6.298 11.457 1.00 0.00 C ATOM 21 C SER A 3 -8.683 -5.606 10.781 1.00 0.00 C ATOM 22 O SER A 3 -9.482 -4.945 11.443 1.00 0.00 O ATOM 23 CB SER A 3 -7.660 -7.818 11.385 1.00 0.00 C ATOM 24 OG SER A 3 -7.648 -8.293 10.041 1.00 0.00 O ATOM 0 H SER A 3 -8.197 -6.040 13.415 1.00 0.00 H new ATOM 0 HA SER A 3 -6.583 -6.031 10.931 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.856 -8.295 11.945 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.596 -8.107 11.863 1.00 0.00 H new ATOM 0 HG SER A 3 -7.751 -9.268 10.038 1.00 0.00 H new ATOM 30 N GLY A 4 -8.760 -5.781 9.469 1.00 0.00 N ATOM 31 CA GLY A 4 -9.834 -5.181 8.696 1.00 0.00 C ATOM 32 C GLY A 4 -10.055 -5.939 7.386 1.00 0.00 C ATOM 33 O GLY A 4 -9.627 -7.084 7.246 1.00 0.00 O ATOM 0 H GLY A 4 -8.096 -6.330 8.923 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.754 -5.183 9.281 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.595 -4.139 8.482 1.00 0.00 H new ATOM 37 N SER A 5 -10.724 -5.270 6.458 1.00 0.00 N ATOM 38 CA SER A 5 -11.008 -5.867 5.164 1.00 0.00 C ATOM 39 C SER A 5 -11.241 -4.770 4.122 1.00 0.00 C ATOM 40 O SER A 5 -11.307 -3.590 4.462 1.00 0.00 O ATOM 41 CB SER A 5 -12.223 -6.794 5.239 1.00 0.00 C ATOM 42 OG SER A 5 -13.450 -6.070 5.208 1.00 0.00 O ATOM 0 H SER A 5 -11.077 -4.321 6.577 1.00 0.00 H new ATOM 0 HA SER A 5 -10.147 -6.465 4.867 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.195 -7.496 4.406 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.173 -7.384 6.154 1.00 0.00 H new ATOM 0 HG SER A 5 -14.201 -6.697 5.256 1.00 0.00 H new ATOM 48 N SER A 6 -11.359 -5.200 2.874 1.00 0.00 N ATOM 49 CA SER A 6 -11.583 -4.269 1.781 1.00 0.00 C ATOM 50 C SER A 6 -12.848 -4.658 1.014 1.00 0.00 C ATOM 51 O SER A 6 -13.750 -3.840 0.842 1.00 0.00 O ATOM 52 CB SER A 6 -10.380 -4.230 0.836 1.00 0.00 C ATOM 53 OG SER A 6 -9.165 -3.956 1.529 1.00 0.00 O ATOM 0 H SER A 6 -11.304 -6.180 2.596 1.00 0.00 H new ATOM 0 HA SER A 6 -11.713 -3.272 2.202 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.295 -5.185 0.318 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.542 -3.468 0.074 1.00 0.00 H new ATOM 0 HG SER A 6 -8.421 -3.941 0.891 1.00 0.00 H new ATOM 59 N GLY A 7 -12.874 -5.908 0.573 1.00 0.00 N ATOM 60 CA GLY A 7 -14.013 -6.415 -0.172 1.00 0.00 C ATOM 61 C GLY A 7 -13.648 -6.652 -1.639 1.00 0.00 C ATOM 62 O GLY A 7 -13.314 -7.770 -2.026 1.00 0.00 O ATOM 0 H GLY A 7 -12.124 -6.584 0.718 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.359 -7.347 0.275 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.838 -5.706 -0.109 1.00 0.00 H new ATOM 66 N MET A 8 -13.725 -5.581 -2.415 1.00 0.00 N ATOM 67 CA MET A 8 -13.407 -5.658 -3.830 1.00 0.00 C ATOM 68 C MET A 8 -12.807 -4.342 -4.330 1.00 0.00 C ATOM 69 O MET A 8 -13.455 -3.601 -5.069 1.00 0.00 O ATOM 70 CB MET A 8 -14.677 -5.974 -4.623 1.00 0.00 C ATOM 71 CG MET A 8 -15.693 -4.835 -4.508 1.00 0.00 C ATOM 72 SD MET A 8 -17.346 -5.500 -4.409 1.00 0.00 S ATOM 73 CE MET A 8 -17.927 -4.670 -2.940 1.00 0.00 C ATOM 0 H MET A 8 -14.003 -4.655 -2.090 1.00 0.00 H new ATOM 0 HA MET A 8 -12.671 -6.449 -3.975 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.425 -6.137 -5.671 1.00 0.00 H new ATOM 0 HB3 MET A 8 -15.119 -6.899 -4.254 1.00 0.00 H new ATOM 0 HG2 MET A 8 -15.480 -4.235 -3.624 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.609 -4.173 -5.370 1.00 0.00 H new ATOM 0 HE1 MET A 8 -18.953 -4.974 -2.732 1.00 0.00 H new ATOM 0 HE2 MET A 8 -17.291 -4.937 -2.096 1.00 0.00 H new ATOM 0 HE3 MET A 8 -17.892 -3.591 -3.094 1.00 0.00 H new ATOM 83 N PRO A 9 -11.545 -4.084 -3.896 1.00 0.00 N ATOM 84 CA PRO A 9 -10.850 -2.870 -4.292 1.00 0.00 C ATOM 85 C PRO A 9 -10.371 -2.960 -5.742 1.00 0.00 C ATOM 86 O PRO A 9 -10.640 -3.945 -6.428 1.00 0.00 O ATOM 87 CB PRO A 9 -9.710 -2.727 -3.297 1.00 0.00 C ATOM 88 CG PRO A 9 -9.527 -4.101 -2.673 1.00 0.00 C ATOM 89 CD PRO A 9 -10.747 -4.938 -3.021 1.00 0.00 C ATOM 0 HA PRO A 9 -11.493 -1.990 -4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -8.797 -2.399 -3.794 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.946 -1.981 -2.538 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.620 -4.574 -3.050 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.417 -4.018 -1.592 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.463 -5.863 -3.522 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.303 -5.218 -2.126 1.00 0.00 H new ATOM 97 N TYR A 10 -9.669 -1.920 -6.165 1.00 0.00 N ATOM 98 CA TYR A 10 -9.149 -1.869 -7.521 1.00 0.00 C ATOM 99 C TYR A 10 -7.621 -1.799 -7.520 1.00 0.00 C ATOM 100 O TYR A 10 -7.007 -1.550 -6.483 1.00 0.00 O ATOM 101 CB TYR A 10 -9.706 -0.584 -8.138 1.00 0.00 C ATOM 102 CG TYR A 10 -11.233 -0.495 -8.117 1.00 0.00 C ATOM 103 CD1 TYR A 10 -11.985 -1.351 -8.894 1.00 0.00 C ATOM 104 CD2 TYR A 10 -11.858 0.443 -7.319 1.00 0.00 C ATOM 105 CE1 TYR A 10 -13.423 -1.267 -8.874 1.00 0.00 C ATOM 106 CE2 TYR A 10 -13.295 0.527 -7.299 1.00 0.00 C ATOM 107 CZ TYR A 10 -14.007 -0.332 -8.077 1.00 0.00 C ATOM 108 OH TYR A 10 -15.364 -0.252 -8.058 1.00 0.00 O ATOM 0 H TYR A 10 -9.448 -1.105 -5.593 1.00 0.00 H new ATOM 0 HA TYR A 10 -9.440 -2.760 -8.077 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.295 0.272 -7.603 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.362 -0.510 -9.170 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -11.496 -2.085 -9.518 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.269 1.113 -6.710 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -14.024 -1.931 -9.478 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.797 1.256 -6.680 1.00 0.00 H new ATOM 0 HH TYR A 10 -15.641 0.460 -7.444 1.00 0.00 H new ATOM 118 N VAL A 11 -7.049 -2.025 -8.694 1.00 0.00 N ATOM 119 CA VAL A 11 -5.604 -1.991 -8.842 1.00 0.00 C ATOM 120 C VAL A 11 -4.956 -2.670 -7.634 1.00 0.00 C ATOM 121 O VAL A 11 -4.668 -2.018 -6.632 1.00 0.00 O ATOM 122 CB VAL A 11 -5.132 -0.549 -9.042 1.00 0.00 C ATOM 123 CG1 VAL A 11 -5.859 0.403 -8.090 1.00 0.00 C ATOM 124 CG2 VAL A 11 -3.616 -0.440 -8.874 1.00 0.00 C ATOM 0 H VAL A 11 -7.561 -2.232 -9.552 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.298 -2.545 -9.729 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.378 -0.255 -10.062 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.505 1.421 -8.253 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.932 0.357 -8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.659 0.110 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.307 0.595 -9.021 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.337 -0.763 -7.871 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.122 -1.074 -9.610 1.00 0.00 H new ATOM 134 N ASP A 12 -4.746 -3.971 -7.769 1.00 0.00 N ATOM 135 CA ASP A 12 -4.138 -4.745 -6.701 1.00 0.00 C ATOM 136 C ASP A 12 -2.674 -4.328 -6.544 1.00 0.00 C ATOM 137 O ASP A 12 -1.986 -4.081 -7.534 1.00 0.00 O ATOM 138 CB ASP A 12 -4.171 -6.242 -7.017 1.00 0.00 C ATOM 139 CG ASP A 12 -5.446 -6.967 -6.582 1.00 0.00 C ATOM 140 OD1 ASP A 12 -6.373 -6.261 -6.127 1.00 0.00 O ATOM 141 OD2 ASP A 12 -5.466 -8.210 -6.713 1.00 0.00 O ATOM 0 H ASP A 12 -4.986 -4.508 -8.602 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.701 -4.557 -5.787 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.045 -6.374 -8.092 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.318 -6.719 -6.535 1.00 0.00 H new ATOM 146 N ARG A 13 -2.241 -4.263 -5.294 1.00 0.00 N ATOM 147 CA ARG A 13 -0.872 -3.880 -4.995 1.00 0.00 C ATOM 148 C ARG A 13 -0.458 -2.680 -5.850 1.00 0.00 C ATOM 149 O ARG A 13 0.471 -2.775 -6.651 1.00 0.00 O ATOM 150 CB ARG A 13 0.093 -5.038 -5.253 1.00 0.00 C ATOM 151 CG ARG A 13 0.081 -6.032 -4.090 1.00 0.00 C ATOM 152 CD ARG A 13 -0.130 -7.462 -4.592 1.00 0.00 C ATOM 153 NE ARG A 13 0.963 -7.841 -5.515 1.00 0.00 N ATOM 154 CZ ARG A 13 0.869 -8.815 -6.431 1.00 0.00 C ATOM 155 NH1 ARG A 13 -0.267 -9.514 -6.551 1.00 0.00 N ATOM 156 NH2 ARG A 13 1.913 -9.089 -7.226 1.00 0.00 N ATOM 0 H ARG A 13 -2.814 -4.469 -4.476 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.826 -3.612 -3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.185 -5.549 -6.175 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.102 -4.651 -5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.022 -5.970 -3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.711 -5.768 -3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.160 -8.152 -3.748 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.091 -7.539 -5.101 1.00 0.00 H new ATOM 0 HE ARG A 13 1.843 -7.329 -5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.061 -9.305 -5.945 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.339 -10.255 -7.248 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.778 -8.556 -7.134 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.842 -9.830 -7.923 1.00 0.00 H new ATOM 170 N GLN A 14 -1.167 -1.579 -5.650 1.00 0.00 N ATOM 171 CA GLN A 14 -0.884 -0.362 -6.392 1.00 0.00 C ATOM 172 C GLN A 14 0.622 -0.099 -6.427 1.00 0.00 C ATOM 173 O GLN A 14 1.146 0.400 -7.422 1.00 0.00 O ATOM 174 CB GLN A 14 -1.636 0.830 -5.797 1.00 0.00 C ATOM 175 CG GLN A 14 -3.148 0.606 -5.847 1.00 0.00 C ATOM 176 CD GLN A 14 -3.851 1.346 -4.707 1.00 0.00 C ATOM 177 OE1 GLN A 14 -3.344 2.307 -4.151 1.00 0.00 O ATOM 178 NE2 GLN A 14 -5.043 0.848 -4.392 1.00 0.00 N ATOM 0 H GLN A 14 -1.937 -1.504 -4.985 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.233 -0.495 -7.416 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -1.322 0.984 -4.765 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -1.381 1.736 -6.346 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.539 0.951 -6.804 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.363 -0.460 -5.780 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.409 0.041 -4.898 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.592 1.273 -3.645 1.00 0.00 H new ATOM 187 N ASN A 15 1.277 -0.446 -5.328 1.00 0.00 N ATOM 188 CA ASN A 15 2.713 -0.253 -5.220 1.00 0.00 C ATOM 189 C ASN A 15 2.999 1.186 -4.787 1.00 0.00 C ATOM 190 O ASN A 15 4.139 1.530 -4.479 1.00 0.00 O ATOM 191 CB ASN A 15 3.403 -0.487 -6.566 1.00 0.00 C ATOM 192 CG ASN A 15 4.739 -1.209 -6.379 1.00 0.00 C ATOM 193 OD1 ASN A 15 5.807 -0.628 -6.477 1.00 0.00 O ATOM 194 ND2 ASN A 15 4.620 -2.505 -6.104 1.00 0.00 N ATOM 0 H ASN A 15 0.839 -0.860 -4.505 1.00 0.00 H new ATOM 0 HA ASN A 15 3.095 -0.966 -4.490 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.754 -1.077 -7.214 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.568 0.468 -7.065 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.454 -3.075 -5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.695 -2.929 -6.036 1.00 0.00 H new ATOM 201 N ARG A 16 1.944 1.988 -4.776 1.00 0.00 N ATOM 202 CA ARG A 16 2.068 3.382 -4.385 1.00 0.00 C ATOM 203 C ARG A 16 0.876 4.187 -4.906 1.00 0.00 C ATOM 204 O ARG A 16 0.362 3.912 -5.990 1.00 0.00 O ATOM 205 CB ARG A 16 3.362 3.993 -4.925 1.00 0.00 C ATOM 206 CG ARG A 16 3.176 5.477 -5.247 1.00 0.00 C ATOM 207 CD ARG A 16 4.527 6.180 -5.394 1.00 0.00 C ATOM 208 NE ARG A 16 4.379 7.389 -6.235 1.00 0.00 N ATOM 209 CZ ARG A 16 5.404 8.034 -6.809 1.00 0.00 C ATOM 210 NH1 ARG A 16 6.656 7.590 -6.637 1.00 0.00 N ATOM 211 NH2 ARG A 16 5.176 9.123 -7.556 1.00 0.00 N ATOM 0 H ARG A 16 1.000 1.699 -5.032 1.00 0.00 H new ATOM 0 HA ARG A 16 2.089 3.420 -3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.159 3.874 -4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.673 3.459 -5.823 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.604 5.584 -6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.598 5.955 -4.456 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.912 6.455 -4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.253 5.501 -5.842 1.00 0.00 H new ATOM 0 HE ARG A 16 3.439 7.754 -6.387 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.830 6.761 -6.069 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.436 8.081 -7.074 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.223 9.461 -7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.956 9.614 -7.993 1.00 0.00 H new ATOM 225 N ILE A 17 0.470 5.166 -4.111 1.00 0.00 N ATOM 226 CA ILE A 17 -0.652 6.012 -4.478 1.00 0.00 C ATOM 227 C ILE A 17 -0.171 7.459 -4.612 1.00 0.00 C ATOM 228 O ILE A 17 0.832 7.841 -4.013 1.00 0.00 O ATOM 229 CB ILE A 17 -1.803 5.837 -3.486 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.126 6.313 -4.091 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.495 6.533 -2.160 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.282 5.408 -3.663 1.00 0.00 C ATOM 0 H ILE A 17 0.899 5.392 -3.213 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.051 5.716 -5.448 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.911 4.774 -3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.326 7.337 -3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.050 6.322 -5.178 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.330 6.393 -1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.592 6.105 -1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.344 7.598 -2.335 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.210 5.769 -4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.091 4.389 -4.000 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.371 5.420 -2.577 1.00 0.00 H new ATOM 244 N CYS A 18 -0.910 8.223 -5.403 1.00 0.00 N ATOM 245 CA CYS A 18 -0.571 9.619 -5.623 1.00 0.00 C ATOM 246 C CYS A 18 -1.864 10.389 -5.900 1.00 0.00 C ATOM 247 O CYS A 18 -2.785 9.860 -6.522 1.00 0.00 O ATOM 248 CB CYS A 18 0.444 9.783 -6.756 1.00 0.00 C ATOM 249 SG CYS A 18 -0.058 8.773 -8.197 1.00 0.00 S ATOM 0 H CYS A 18 -1.742 7.902 -5.899 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.091 10.024 -4.732 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.514 10.832 -7.043 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.434 9.479 -6.415 1.00 0.00 H new ATOM 0 HG CYS A 18 0.809 8.921 -9.154 1.00 0.00 H new ATOM 255 N GLY A 19 -1.892 11.625 -5.425 1.00 0.00 N ATOM 256 CA GLY A 19 -3.057 12.473 -5.614 1.00 0.00 C ATOM 257 C GLY A 19 -2.965 13.732 -4.749 1.00 0.00 C ATOM 258 O GLY A 19 -1.936 13.986 -4.124 1.00 0.00 O ATOM 0 H GLY A 19 -1.127 12.060 -4.910 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.140 12.754 -6.664 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.960 11.918 -5.360 1.00 0.00 H new ATOM 262 N PHE A 20 -4.054 14.487 -4.741 1.00 0.00 N ATOM 263 CA PHE A 20 -4.108 15.714 -3.964 1.00 0.00 C ATOM 264 C PHE A 20 -5.030 15.555 -2.753 1.00 0.00 C ATOM 265 O PHE A 20 -6.171 15.115 -2.890 1.00 0.00 O ATOM 266 CB PHE A 20 -4.673 16.800 -4.881 1.00 0.00 C ATOM 267 CG PHE A 20 -3.671 17.331 -5.908 1.00 0.00 C ATOM 268 CD1 PHE A 20 -2.786 18.302 -5.555 1.00 0.00 C ATOM 269 CD2 PHE A 20 -3.665 16.833 -7.173 1.00 0.00 C ATOM 270 CE1 PHE A 20 -1.855 18.794 -6.508 1.00 0.00 C ATOM 271 CE2 PHE A 20 -2.734 17.326 -8.126 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.849 18.296 -7.773 1.00 0.00 C ATOM 0 H PHE A 20 -4.906 14.273 -5.260 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.113 15.968 -3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.540 16.402 -5.407 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.025 17.631 -4.269 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.791 18.699 -4.550 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.368 16.063 -7.453 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.152 19.564 -6.228 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.729 16.930 -9.131 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.141 18.671 -8.498 1.00 0.00 H new ATOM 282 N LEU A 21 -4.501 15.921 -1.595 1.00 0.00 N ATOM 283 CA LEU A 21 -5.262 15.825 -0.361 1.00 0.00 C ATOM 284 C LEU A 21 -5.121 17.131 0.424 1.00 0.00 C ATOM 285 O LEU A 21 -4.088 17.795 0.350 1.00 0.00 O ATOM 286 CB LEU A 21 -4.845 14.584 0.431 1.00 0.00 C ATOM 287 CG LEU A 21 -4.959 13.248 -0.307 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.344 12.114 0.515 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.412 12.956 -0.690 1.00 0.00 C ATOM 0 H LEU A 21 -3.554 16.285 -1.485 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.322 15.696 -0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.811 14.712 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.454 14.531 1.333 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.390 13.319 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.438 11.176 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.290 12.325 0.695 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.865 12.032 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.466 12.001 -1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.024 12.911 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.783 13.748 -1.341 1.00 0.00 H new ATOM 301 N ASP A 22 -6.174 17.460 1.157 1.00 0.00 N ATOM 302 CA ASP A 22 -6.181 18.675 1.954 1.00 0.00 C ATOM 303 C ASP A 22 -6.093 18.307 3.437 1.00 0.00 C ATOM 304 O ASP A 22 -7.112 18.058 4.079 1.00 0.00 O ATOM 305 CB ASP A 22 -7.471 19.468 1.739 1.00 0.00 C ATOM 306 CG ASP A 22 -7.622 20.094 0.352 1.00 0.00 C ATOM 307 OD1 ASP A 22 -7.019 19.537 -0.591 1.00 0.00 O ATOM 308 OD2 ASP A 22 -8.337 21.116 0.264 1.00 0.00 O ATOM 0 H ASP A 22 -7.029 16.906 1.216 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.330 19.283 1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.320 18.807 1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.521 20.260 2.486 1.00 0.00 H new ATOM 313 N ILE A 23 -4.866 18.285 3.937 1.00 0.00 N ATOM 314 CA ILE A 23 -4.633 17.951 5.332 1.00 0.00 C ATOM 315 C ILE A 23 -4.897 19.185 6.197 1.00 0.00 C ATOM 316 O ILE A 23 -4.432 20.279 5.883 1.00 0.00 O ATOM 317 CB ILE A 23 -3.234 17.360 5.514 1.00 0.00 C ATOM 318 CG1 ILE A 23 -2.965 17.031 6.984 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.166 18.287 4.930 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.760 16.099 7.126 1.00 0.00 C ATOM 0 H ILE A 23 -4.023 18.493 3.401 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.326 17.176 5.660 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.185 16.423 4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.785 17.952 7.539 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.846 16.562 7.422 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.181 17.843 5.073 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.349 18.428 3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.206 19.252 5.436 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.591 15.881 8.181 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.954 15.170 6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.876 16.581 6.709 1.00 0.00 H new ATOM 332 N GLU A 24 -5.642 18.967 7.271 1.00 0.00 N ATOM 333 CA GLU A 24 -5.973 20.047 8.184 1.00 0.00 C ATOM 334 C GLU A 24 -4.745 20.440 9.008 1.00 0.00 C ATOM 335 O GLU A 24 -4.268 19.658 9.829 1.00 0.00 O ATOM 336 CB GLU A 24 -7.142 19.659 9.092 1.00 0.00 C ATOM 337 CG GLU A 24 -7.703 20.883 9.818 1.00 0.00 C ATOM 338 CD GLU A 24 -8.740 20.473 10.865 1.00 0.00 C ATOM 339 OE1 GLU A 24 -9.629 19.674 10.500 1.00 0.00 O ATOM 340 OE2 GLU A 24 -8.620 20.967 12.007 1.00 0.00 O ATOM 0 H GLU A 24 -6.026 18.058 7.529 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.284 20.911 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.928 19.192 8.499 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.811 18.920 9.821 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.891 21.428 10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.158 21.561 9.096 1.00 0.00 H new ATOM 347 N ASP A 25 -4.270 21.652 8.762 1.00 0.00 N ATOM 348 CA ASP A 25 -3.108 22.159 9.471 1.00 0.00 C ATOM 349 C ASP A 25 -3.565 22.889 10.735 1.00 0.00 C ATOM 350 O ASP A 25 -4.667 23.433 10.778 1.00 0.00 O ATOM 351 CB ASP A 25 -2.326 23.152 8.608 1.00 0.00 C ATOM 352 CG ASP A 25 -0.951 23.541 9.155 1.00 0.00 C ATOM 353 OD1 ASP A 25 -0.397 22.729 9.928 1.00 0.00 O ATOM 354 OD2 ASP A 25 -0.484 24.640 8.788 1.00 0.00 O ATOM 0 H ASP A 25 -4.669 22.298 8.081 1.00 0.00 H new ATOM 0 HA ASP A 25 -2.467 21.312 9.717 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.197 22.724 7.614 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.923 24.057 8.490 1.00 0.00 H new ATOM 359 N ASN A 26 -2.695 22.876 11.735 1.00 0.00 N ATOM 360 CA ASN A 26 -2.995 23.530 12.997 1.00 0.00 C ATOM 361 C ASN A 26 -2.769 25.037 12.852 1.00 0.00 C ATOM 362 O ASN A 26 -2.956 25.790 13.806 1.00 0.00 O ATOM 363 CB ASN A 26 -2.082 23.020 14.113 1.00 0.00 C ATOM 364 CG ASN A 26 -2.849 22.883 15.429 1.00 0.00 C ATOM 365 OD1 ASN A 26 -3.220 23.855 16.066 1.00 0.00 O ATOM 366 ND2 ASN A 26 -3.064 21.624 15.801 1.00 0.00 N ATOM 0 H ASN A 26 -1.782 22.423 11.696 1.00 0.00 H new ATOM 0 HA ASN A 26 -4.032 23.311 13.252 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.661 22.055 13.831 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.245 23.706 14.245 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.567 21.427 16.666 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.726 20.856 15.221 1.00 0.00 H new ATOM 373 N GLU A 27 -2.371 25.431 11.651 1.00 0.00 N ATOM 374 CA GLU A 27 -2.118 26.833 11.370 1.00 0.00 C ATOM 375 C GLU A 27 -3.184 27.709 12.032 1.00 0.00 C ATOM 376 O GLU A 27 -2.860 28.616 12.797 1.00 0.00 O ATOM 377 CB GLU A 27 -2.059 27.088 9.862 1.00 0.00 C ATOM 378 CG GLU A 27 -0.787 27.849 9.484 1.00 0.00 C ATOM 379 CD GLU A 27 -1.115 29.270 9.020 1.00 0.00 C ATOM 380 OE1 GLU A 27 -1.884 29.940 9.743 1.00 0.00 O ATOM 381 OE2 GLU A 27 -0.590 29.653 7.952 1.00 0.00 O ATOM 0 H GLU A 27 -2.218 24.803 10.862 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.147 27.097 11.789 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.091 26.139 9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -2.934 27.659 9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.115 27.889 10.341 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.262 27.316 8.691 1.00 0.00 H new ATOM 388 N ASN A 28 -4.434 27.406 11.714 1.00 0.00 N ATOM 389 CA ASN A 28 -5.549 28.154 12.269 1.00 0.00 C ATOM 390 C ASN A 28 -6.631 27.177 12.736 1.00 0.00 C ATOM 391 O ASN A 28 -7.778 27.569 12.944 1.00 0.00 O ATOM 392 CB ASN A 28 -6.169 29.079 11.220 1.00 0.00 C ATOM 393 CG ASN A 28 -5.131 30.063 10.676 1.00 0.00 C ATOM 394 OD1 ASN A 28 -4.928 31.145 11.202 1.00 0.00 O ATOM 395 ND2 ASN A 28 -4.488 29.628 9.595 1.00 0.00 N ATOM 0 H ASN A 28 -4.699 26.653 11.079 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.174 28.751 13.100 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -6.577 28.485 10.402 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.001 29.629 11.660 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -3.776 30.212 9.156 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.707 28.711 9.206 1.00 0.00 H new ATOM 402 N SER A 29 -6.227 25.924 12.886 1.00 0.00 N ATOM 403 CA SER A 29 -7.147 24.889 13.324 1.00 0.00 C ATOM 404 C SER A 29 -8.509 25.082 12.655 1.00 0.00 C ATOM 405 O SER A 29 -9.385 25.749 13.203 1.00 0.00 O ATOM 406 CB SER A 29 -7.298 24.894 14.847 1.00 0.00 C ATOM 407 OG SER A 29 -6.684 23.758 15.448 1.00 0.00 O ATOM 0 H SER A 29 -5.275 25.603 12.712 1.00 0.00 H new ATOM 0 HA SER A 29 -6.739 23.922 13.030 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.854 25.803 15.252 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.357 24.914 15.106 1.00 0.00 H new ATOM 0 HG SER A 29 -6.801 23.799 16.420 1.00 0.00 H new ATOM 413 N GLY A 30 -8.645 24.486 11.480 1.00 0.00 N ATOM 414 CA GLY A 30 -9.886 24.584 10.730 1.00 0.00 C ATOM 415 C GLY A 30 -9.619 24.570 9.223 1.00 0.00 C ATOM 416 O GLY A 30 -10.296 23.866 8.476 1.00 0.00 O ATOM 0 H GLY A 30 -7.916 23.933 11.028 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.541 23.754 10.994 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.408 25.501 11.002 1.00 0.00 H new ATOM 420 N LYS A 31 -8.631 25.357 8.823 1.00 0.00 N ATOM 421 CA LYS A 31 -8.266 25.443 7.419 1.00 0.00 C ATOM 422 C LYS A 31 -7.379 24.252 7.052 1.00 0.00 C ATOM 423 O LYS A 31 -6.646 23.736 7.895 1.00 0.00 O ATOM 424 CB LYS A 31 -7.629 26.801 7.114 1.00 0.00 C ATOM 425 CG LYS A 31 -8.311 27.470 5.918 1.00 0.00 C ATOM 426 CD LYS A 31 -7.575 28.749 5.513 1.00 0.00 C ATOM 427 CE LYS A 31 -8.536 29.755 4.876 1.00 0.00 C ATOM 428 NZ LYS A 31 -7.913 31.096 4.813 1.00 0.00 N ATOM 0 H LYS A 31 -8.072 25.940 9.446 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.155 25.384 6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.705 27.447 7.989 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -6.567 26.670 6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.337 26.779 5.076 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.345 27.705 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.104 29.195 6.389 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.777 28.507 4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.805 29.425 3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.459 29.803 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.578 31.767 4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.678 31.415 5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.045 31.049 4.242 1.00 0.00 H new ATOM 442 N PHE A 32 -7.475 23.848 5.794 1.00 0.00 N ATOM 443 CA PHE A 32 -6.691 22.727 5.305 1.00 0.00 C ATOM 444 C PHE A 32 -5.700 23.178 4.229 1.00 0.00 C ATOM 445 O PHE A 32 -6.013 24.048 3.418 1.00 0.00 O ATOM 446 CB PHE A 32 -7.673 21.728 4.691 1.00 0.00 C ATOM 447 CG PHE A 32 -8.793 21.294 5.638 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.849 22.121 5.867 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.734 20.082 6.252 1.00 0.00 C ATOM 450 CE1 PHE A 32 -10.889 21.718 6.746 1.00 0.00 C ATOM 451 CE2 PHE A 32 -9.773 19.680 7.132 1.00 0.00 C ATOM 452 CZ PHE A 32 -10.829 20.506 7.360 1.00 0.00 C ATOM 0 H PHE A 32 -8.085 24.278 5.098 1.00 0.00 H new ATOM 0 HA PHE A 32 -6.121 22.287 6.123 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.116 22.171 3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.122 20.845 4.367 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.896 23.084 5.380 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.896 19.425 6.070 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.728 22.374 6.927 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.725 18.718 7.620 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.620 20.200 8.029 1.00 0.00 H new ATOM 462 N LEU A 33 -4.526 22.565 4.257 1.00 0.00 N ATOM 463 CA LEU A 33 -3.488 22.893 3.295 1.00 0.00 C ATOM 464 C LEU A 33 -3.472 21.835 2.189 1.00 0.00 C ATOM 465 O LEU A 33 -3.062 20.699 2.418 1.00 0.00 O ATOM 466 CB LEU A 33 -2.140 23.067 3.998 1.00 0.00 C ATOM 467 CG LEU A 33 -2.039 24.244 4.971 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.629 24.838 4.968 1.00 0.00 C ATOM 469 CD2 LEU A 33 -3.106 25.298 4.670 1.00 0.00 C ATOM 0 H LEU A 33 -4.271 21.843 4.931 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.699 23.851 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.916 22.150 4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.368 23.183 3.237 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.230 23.872 5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.584 25.673 5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.088 24.074 5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.385 25.191 3.966 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.012 26.123 5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.972 25.672 3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.096 24.851 4.764 1.00 0.00 H new ATOM 481 N ARG A 34 -3.924 22.247 1.014 1.00 0.00 N ATOM 482 CA ARG A 34 -3.967 21.350 -0.128 1.00 0.00 C ATOM 483 C ARG A 34 -2.549 21.030 -0.605 1.00 0.00 C ATOM 484 O ARG A 34 -1.775 21.935 -0.916 1.00 0.00 O ATOM 485 CB ARG A 34 -4.759 21.965 -1.283 1.00 0.00 C ATOM 486 CG ARG A 34 -4.783 21.028 -2.493 1.00 0.00 C ATOM 487 CD ARG A 34 -4.196 21.713 -3.728 1.00 0.00 C ATOM 488 NE ARG A 34 -4.533 20.939 -4.944 1.00 0.00 N ATOM 489 CZ ARG A 34 -4.231 21.328 -6.190 1.00 0.00 C ATOM 490 NH1 ARG A 34 -3.583 22.483 -6.393 1.00 0.00 N ATOM 491 NH2 ARG A 34 -4.576 20.562 -7.234 1.00 0.00 N ATOM 0 H ARG A 34 -4.264 23.191 0.828 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.463 20.433 0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.779 22.173 -0.959 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.314 22.919 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.215 20.125 -2.269 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.808 20.718 -2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.587 22.727 -3.812 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.114 21.796 -3.628 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.026 20.054 -4.826 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.319 23.066 -5.599 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.353 22.779 -7.342 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.069 19.682 -7.080 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.346 20.859 -8.182 1.00 0.00 H new ATOM 505 N ARG A 35 -2.250 19.740 -0.649 1.00 0.00 N ATOM 506 CA ARG A 35 -0.939 19.289 -1.083 1.00 0.00 C ATOM 507 C ARG A 35 -1.062 17.991 -1.884 1.00 0.00 C ATOM 508 O ARG A 35 -2.119 17.363 -1.896 1.00 0.00 O ATOM 509 CB ARG A 35 -0.013 19.057 0.113 1.00 0.00 C ATOM 510 CG ARG A 35 0.166 20.340 0.926 1.00 0.00 C ATOM 511 CD ARG A 35 0.995 21.368 0.152 1.00 0.00 C ATOM 512 NE ARG A 35 1.308 22.524 1.022 1.00 0.00 N ATOM 513 CZ ARG A 35 0.504 23.584 1.181 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.666 23.641 0.530 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.870 24.587 1.991 1.00 0.00 N ATOM 0 H ARG A 35 -2.894 18.992 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.512 20.069 -1.713 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.425 18.274 0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 35 0.958 18.706 -0.237 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.810 20.761 1.167 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.656 20.110 1.872 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.918 20.910 -0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.445 21.703 -0.728 1.00 0.00 H new ATOM 0 HE ARG A 35 2.191 22.513 1.532 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.944 22.877 -0.086 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.278 24.448 0.651 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.761 24.543 2.486 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.258 25.394 2.112 1.00 0.00 H new ATOM 529 N TYR A 36 0.034 17.628 -2.533 1.00 0.00 N ATOM 530 CA TYR A 36 0.063 16.417 -3.335 1.00 0.00 C ATOM 531 C TYR A 36 0.748 15.276 -2.580 1.00 0.00 C ATOM 532 O TYR A 36 1.973 15.162 -2.599 1.00 0.00 O ATOM 533 CB TYR A 36 0.884 16.754 -4.581 1.00 0.00 C ATOM 534 CG TYR A 36 0.749 15.732 -5.711 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.382 15.723 -6.502 1.00 0.00 C ATOM 536 CD2 TYR A 36 1.758 14.818 -5.939 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.508 14.760 -7.566 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.632 13.856 -7.003 1.00 0.00 C ATOM 539 CZ TYR A 36 0.505 13.874 -7.763 1.00 0.00 C ATOM 540 OH TYR A 36 0.385 12.965 -8.768 1.00 0.00 O ATOM 0 H TYR A 36 0.909 18.152 -2.520 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.949 16.094 -3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.578 17.732 -4.951 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.934 16.834 -4.301 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.172 16.437 -6.323 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.642 14.824 -5.319 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.387 14.742 -8.193 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.415 13.137 -7.193 1.00 0.00 H new ATOM 0 HH TYR A 36 1.183 12.397 -8.793 1.00 0.00 H new ATOM 550 N PHE A 37 -0.071 14.459 -1.934 1.00 0.00 N ATOM 551 CA PHE A 37 0.441 13.332 -1.175 1.00 0.00 C ATOM 552 C PHE A 37 0.853 12.187 -2.103 1.00 0.00 C ATOM 553 O PHE A 37 0.287 12.025 -3.183 1.00 0.00 O ATOM 554 CB PHE A 37 -0.693 12.852 -0.266 1.00 0.00 C ATOM 555 CG PHE A 37 -0.884 13.702 0.991 1.00 0.00 C ATOM 556 CD1 PHE A 37 -0.988 15.054 0.889 1.00 0.00 C ATOM 557 CD2 PHE A 37 -0.949 13.106 2.212 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.166 15.843 2.056 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.126 13.895 3.379 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.231 15.247 3.277 1.00 0.00 C ATOM 0 H PHE A 37 -1.086 14.556 -1.921 1.00 0.00 H new ATOM 0 HA PHE A 37 1.319 13.636 -0.605 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.623 12.848 -0.834 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.496 11.822 0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.935 15.528 -0.080 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.866 12.032 2.294 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.250 16.917 1.974 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.177 13.421 4.348 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.366 15.847 4.165 1.00 0.00 H new ATOM 570 N ILE A 38 1.836 11.424 -1.649 1.00 0.00 N ATOM 571 CA ILE A 38 2.330 10.299 -2.425 1.00 0.00 C ATOM 572 C ILE A 38 2.734 9.169 -1.477 1.00 0.00 C ATOM 573 O ILE A 38 3.718 9.287 -0.748 1.00 0.00 O ATOM 574 CB ILE A 38 3.453 10.748 -3.362 1.00 0.00 C ATOM 575 CG1 ILE A 38 2.911 11.639 -4.481 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.224 9.544 -3.910 1.00 0.00 C ATOM 577 CD1 ILE A 38 4.032 12.073 -5.428 1.00 0.00 C ATOM 0 H ILE A 38 2.304 11.563 -0.753 1.00 0.00 H new ATOM 0 HA ILE A 38 1.545 9.907 -3.071 1.00 0.00 H new ATOM 0 HB ILE A 38 4.158 11.348 -2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.145 11.101 -5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.433 12.519 -4.051 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.017 9.891 -4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.662 8.985 -3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.543 8.898 -4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.620 12.705 -6.214 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.784 12.631 -4.870 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.492 11.192 -5.875 1.00 0.00 H new ATOM 589 N LEU A 39 1.954 8.098 -1.517 1.00 0.00 N ATOM 590 CA LEU A 39 2.219 6.948 -0.670 1.00 0.00 C ATOM 591 C LEU A 39 3.353 6.121 -1.280 1.00 0.00 C ATOM 592 O LEU A 39 3.147 5.407 -2.261 1.00 0.00 O ATOM 593 CB LEU A 39 0.935 6.150 -0.433 1.00 0.00 C ATOM 594 CG LEU A 39 0.901 5.295 0.835 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.884 6.173 2.088 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.276 4.317 0.805 1.00 0.00 C ATOM 0 H LEU A 39 1.139 8.003 -2.123 1.00 0.00 H new ATOM 0 HA LEU A 39 2.554 7.270 0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.098 6.848 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.772 5.498 -1.291 1.00 0.00 H new ATOM 0 HG LEU A 39 1.814 4.700 0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.860 5.540 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.780 6.794 2.109 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.000 6.811 2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.277 3.721 1.718 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.210 4.874 0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.180 3.658 -0.058 1.00 0.00 H new ATOM 608 N ASP A 40 4.525 6.245 -0.675 1.00 0.00 N ATOM 609 CA ASP A 40 5.691 5.518 -1.146 1.00 0.00 C ATOM 610 C ASP A 40 5.981 4.355 -0.195 1.00 0.00 C ATOM 611 O ASP A 40 6.302 4.570 0.973 1.00 0.00 O ATOM 612 CB ASP A 40 6.926 6.420 -1.181 1.00 0.00 C ATOM 613 CG ASP A 40 8.148 5.818 -1.875 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.190 4.572 -1.972 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.014 6.616 -2.294 1.00 0.00 O ATOM 0 H ASP A 40 4.692 6.838 0.138 1.00 0.00 H new ATOM 0 HA ASP A 40 5.479 5.158 -2.153 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.663 7.351 -1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.198 6.677 -0.157 1.00 0.00 H new ATOM 620 N THR A 41 5.858 3.150 -0.730 1.00 0.00 N ATOM 621 CA THR A 41 6.103 1.953 0.058 1.00 0.00 C ATOM 622 C THR A 41 7.606 1.704 0.195 1.00 0.00 C ATOM 623 O THR A 41 8.044 1.025 1.122 1.00 0.00 O ATOM 624 CB THR A 41 5.352 0.793 -0.599 1.00 0.00 C ATOM 625 OG1 THR A 41 6.198 0.396 -1.674 1.00 0.00 O ATOM 626 CG2 THR A 41 4.062 1.245 -1.287 1.00 0.00 C ATOM 0 H THR A 41 5.592 2.976 -1.699 1.00 0.00 H new ATOM 0 HA THR A 41 5.730 2.066 1.076 1.00 0.00 H new ATOM 0 HB THR A 41 5.117 0.040 0.154 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.788 -0.354 -2.154 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.568 0.383 -1.737 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.398 1.701 -0.552 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.299 1.973 -2.063 1.00 0.00 H new ATOM 634 N GLN A 42 8.355 2.266 -0.743 1.00 0.00 N ATOM 635 CA GLN A 42 9.800 2.113 -0.738 1.00 0.00 C ATOM 636 C GLN A 42 10.426 3.015 0.327 1.00 0.00 C ATOM 637 O GLN A 42 11.352 2.606 1.026 1.00 0.00 O ATOM 638 CB GLN A 42 10.387 2.408 -2.120 1.00 0.00 C ATOM 639 CG GLN A 42 9.828 1.446 -3.170 1.00 0.00 C ATOM 640 CD GLN A 42 10.866 1.155 -4.256 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.505 2.044 -4.793 1.00 0.00 O ATOM 642 NE2 GLN A 42 10.997 -0.136 -4.547 1.00 0.00 N ATOM 0 H GLN A 42 7.988 2.828 -1.511 1.00 0.00 H new ATOM 0 HA GLN A 42 10.035 1.077 -0.493 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.158 3.435 -2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.473 2.321 -2.084 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.527 0.514 -2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.934 1.875 -3.622 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.430 -0.829 -4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.665 -0.433 -5.259 1.00 0.00 H new ATOM 651 N ALA A 43 9.895 4.225 0.419 1.00 0.00 N ATOM 652 CA ALA A 43 10.390 5.189 1.387 1.00 0.00 C ATOM 653 C ALA A 43 9.807 4.866 2.765 1.00 0.00 C ATOM 654 O ALA A 43 10.400 5.204 3.788 1.00 0.00 O ATOM 655 CB ALA A 43 10.041 6.604 0.924 1.00 0.00 C ATOM 0 H ALA A 43 9.126 4.560 -0.161 1.00 0.00 H new ATOM 0 HA ALA A 43 11.476 5.131 1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.413 7.327 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.502 6.794 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.959 6.702 0.836 1.00 0.00 H new ATOM 661 N ASN A 44 8.652 4.216 2.746 1.00 0.00 N ATOM 662 CA ASN A 44 7.983 3.844 3.981 1.00 0.00 C ATOM 663 C ASN A 44 7.587 5.111 4.743 1.00 0.00 C ATOM 664 O ASN A 44 7.474 5.093 5.967 1.00 0.00 O ATOM 665 CB ASN A 44 8.905 3.020 4.880 1.00 0.00 C ATOM 666 CG ASN A 44 8.130 2.414 6.052 1.00 0.00 C ATOM 667 OD1 ASN A 44 7.270 1.564 5.888 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.480 2.897 7.240 1.00 0.00 N ATOM 0 H ASN A 44 8.163 3.938 1.895 1.00 0.00 H new ATOM 0 HA ASN A 44 7.106 3.250 3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.371 2.225 4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.709 3.651 5.259 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.020 2.557 8.085 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.208 3.608 7.307 1.00 0.00 H new ATOM 675 N CYS A 45 7.387 6.180 3.986 1.00 0.00 N ATOM 676 CA CYS A 45 7.007 7.453 4.575 1.00 0.00 C ATOM 677 C CYS A 45 6.087 8.181 3.593 1.00 0.00 C ATOM 678 O CYS A 45 6.116 7.911 2.393 1.00 0.00 O ATOM 679 CB CYS A 45 8.231 8.295 4.942 1.00 0.00 C ATOM 680 SG CYS A 45 9.542 7.224 5.636 1.00 0.00 S ATOM 0 H CYS A 45 7.481 6.191 2.970 1.00 0.00 H new ATOM 0 HA CYS A 45 6.474 7.279 5.510 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.604 8.814 4.059 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.953 9.059 5.667 1.00 0.00 H new ATOM 0 HG CYS A 45 9.989 6.430 4.709 1.00 0.00 H new ATOM 686 N LEU A 46 5.292 9.090 4.138 1.00 0.00 N ATOM 687 CA LEU A 46 4.365 9.858 3.325 1.00 0.00 C ATOM 688 C LEU A 46 4.917 11.272 3.129 1.00 0.00 C ATOM 689 O LEU A 46 5.250 11.952 4.098 1.00 0.00 O ATOM 690 CB LEU A 46 2.963 9.825 3.935 1.00 0.00 C ATOM 691 CG LEU A 46 1.828 10.321 3.036 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.155 11.694 2.447 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.502 9.294 1.949 1.00 0.00 C ATOM 0 H LEU A 46 5.271 9.312 5.133 1.00 0.00 H new ATOM 0 HA LEU A 46 4.267 9.413 2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.742 8.800 4.233 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.969 10.427 4.844 1.00 0.00 H new ATOM 0 HG LEU A 46 0.934 10.438 3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.332 12.023 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.299 12.411 3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.067 11.628 1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.692 9.670 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.385 9.122 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.196 8.357 2.414 1.00 0.00 H new ATOM 705 N LEU A 47 4.998 11.671 1.868 1.00 0.00 N ATOM 706 CA LEU A 47 5.503 12.991 1.532 1.00 0.00 C ATOM 707 C LEU A 47 4.493 13.706 0.633 1.00 0.00 C ATOM 708 O LEU A 47 4.027 13.141 -0.355 1.00 0.00 O ATOM 709 CB LEU A 47 6.904 12.889 0.924 1.00 0.00 C ATOM 710 CG LEU A 47 7.833 11.847 1.549 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.596 11.075 0.471 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.776 12.494 2.566 1.00 0.00 C ATOM 0 H LEU A 47 4.722 11.103 1.067 1.00 0.00 H new ATOM 0 HA LEU A 47 5.614 13.597 2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.802 12.665 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.383 13.865 0.999 1.00 0.00 H new ATOM 0 HG LEU A 47 7.221 11.125 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.249 10.341 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.887 10.564 -0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.196 11.769 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.426 11.732 2.996 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.383 13.251 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 47 8.191 12.961 3.358 1.00 0.00 H new ATOM 724 N TRP A 48 4.183 14.939 1.009 1.00 0.00 N ATOM 725 CA TRP A 48 3.237 15.737 0.249 1.00 0.00 C ATOM 726 C TRP A 48 3.952 17.009 -0.211 1.00 0.00 C ATOM 727 O TRP A 48 4.535 17.725 0.601 1.00 0.00 O ATOM 728 CB TRP A 48 1.978 16.023 1.070 1.00 0.00 C ATOM 729 CG TRP A 48 2.251 16.704 2.412 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.557 17.989 2.638 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.231 16.080 3.713 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.735 18.238 3.984 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.530 17.040 4.658 1.00 0.00 C ATOM 734 CE3 TRP A 48 1.969 14.748 4.079 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.595 16.770 6.031 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.038 14.495 5.454 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.338 15.450 6.419 1.00 0.00 C ATOM 0 H TRP A 48 4.571 15.404 1.830 1.00 0.00 H new ATOM 0 HA TRP A 48 2.894 15.193 -0.631 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.310 16.654 0.484 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.454 15.085 1.251 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.652 18.736 1.864 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.973 19.136 4.406 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.733 13.981 3.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.831 17.539 6.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.845 13.487 5.789 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.373 15.175 7.463 1.00 0.00 H new ATOM 748 N TYR A 49 3.884 17.251 -1.512 1.00 0.00 N ATOM 749 CA TYR A 49 4.518 18.424 -2.089 1.00 0.00 C ATOM 750 C TYR A 49 3.473 19.407 -2.620 1.00 0.00 C ATOM 751 O TYR A 49 2.516 19.004 -3.280 1.00 0.00 O ATOM 752 CB TYR A 49 5.362 17.914 -3.259 1.00 0.00 C ATOM 753 CG TYR A 49 6.225 16.696 -2.920 1.00 0.00 C ATOM 754 CD1 TYR A 49 7.412 16.861 -2.236 1.00 0.00 C ATOM 755 CD2 TYR A 49 5.816 15.434 -3.299 1.00 0.00 C ATOM 756 CE1 TYR A 49 8.224 15.715 -1.917 1.00 0.00 C ATOM 757 CE2 TYR A 49 6.627 14.288 -2.980 1.00 0.00 C ATOM 758 CZ TYR A 49 7.791 14.485 -2.305 1.00 0.00 C ATOM 759 OH TYR A 49 8.558 13.403 -2.003 1.00 0.00 O ATOM 0 H TYR A 49 3.399 16.655 -2.183 1.00 0.00 H new ATOM 0 HA TYR A 49 5.113 18.946 -1.340 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.700 17.659 -4.087 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.009 18.720 -3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 49 7.732 17.849 -1.940 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.887 15.306 -3.835 1.00 0.00 H new ATOM 0 HE1 TYR A 49 9.155 15.829 -1.382 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.318 13.295 -3.270 1.00 0.00 H new ATOM 0 HH TYR A 49 8.125 12.591 -2.340 1.00 0.00 H new ATOM 769 N MET A 50 3.692 20.677 -2.313 1.00 0.00 N ATOM 770 CA MET A 50 2.780 21.720 -2.751 1.00 0.00 C ATOM 771 C MET A 50 2.239 21.423 -4.151 1.00 0.00 C ATOM 772 O MET A 50 1.094 21.752 -4.460 1.00 0.00 O ATOM 773 CB MET A 50 3.510 23.065 -2.760 1.00 0.00 C ATOM 774 CG MET A 50 3.487 23.711 -1.374 1.00 0.00 C ATOM 775 SD MET A 50 2.810 25.360 -1.480 1.00 0.00 S ATOM 776 CE MET A 50 1.072 24.974 -1.608 1.00 0.00 C ATOM 0 H MET A 50 4.487 21.007 -1.766 1.00 0.00 H new ATOM 0 HA MET A 50 1.940 21.757 -2.058 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.542 22.921 -3.081 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.042 23.732 -3.484 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.889 23.107 -0.692 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.496 23.749 -0.965 1.00 0.00 H new ATOM 0 HE1 MET A 50 0.692 25.322 -2.568 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.932 23.896 -1.531 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.529 25.468 -0.802 1.00 0.00 H new ATOM 786 N ASP A 51 3.087 20.805 -4.960 1.00 0.00 N ATOM 787 CA ASP A 51 2.707 20.460 -6.319 1.00 0.00 C ATOM 788 C ASP A 51 3.474 19.211 -6.756 1.00 0.00 C ATOM 789 O ASP A 51 4.493 18.863 -6.161 1.00 0.00 O ATOM 790 CB ASP A 51 3.052 21.591 -7.291 1.00 0.00 C ATOM 791 CG ASP A 51 1.871 22.472 -7.702 1.00 0.00 C ATOM 792 OD1 ASP A 51 0.842 22.408 -6.996 1.00 0.00 O ATOM 793 OD2 ASP A 51 2.025 23.191 -8.713 1.00 0.00 O ATOM 0 H ASP A 51 4.036 20.534 -4.700 1.00 0.00 H new ATOM 0 HA ASP A 51 1.631 20.286 -6.335 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.815 22.222 -6.835 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.492 21.157 -8.189 1.00 0.00 H new ATOM 798 N ASN A 52 2.955 18.569 -7.793 1.00 0.00 N ATOM 799 CA ASN A 52 3.579 17.366 -8.317 1.00 0.00 C ATOM 800 C ASN A 52 5.096 17.559 -8.359 1.00 0.00 C ATOM 801 O ASN A 52 5.578 18.675 -8.546 1.00 0.00 O ATOM 802 CB ASN A 52 3.100 17.073 -9.741 1.00 0.00 C ATOM 803 CG ASN A 52 1.575 17.151 -9.833 1.00 0.00 C ATOM 804 OD1 ASN A 52 0.992 18.205 -10.027 1.00 0.00 O ATOM 805 ND2 ASN A 52 0.963 15.979 -9.685 1.00 0.00 N ATOM 0 H ASN A 52 2.110 18.860 -8.284 1.00 0.00 H new ATOM 0 HA ASN A 52 3.307 16.535 -7.666 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.547 17.787 -10.433 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.436 16.082 -10.045 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.055 15.926 -9.731 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.511 15.134 -9.525 1.00 0.00 H new ATOM 812 N PRO A 53 5.825 16.426 -8.176 1.00 0.00 N ATOM 813 CA PRO A 53 7.277 16.460 -8.191 1.00 0.00 C ATOM 814 C PRO A 53 7.808 16.612 -9.618 1.00 0.00 C ATOM 815 O PRO A 53 8.895 17.149 -9.826 1.00 0.00 O ATOM 816 CB PRO A 53 7.708 15.159 -7.533 1.00 0.00 C ATOM 817 CG PRO A 53 6.499 14.240 -7.595 1.00 0.00 C ATOM 818 CD PRO A 53 5.288 15.087 -7.952 1.00 0.00 C ATOM 0 HA PRO A 53 7.683 17.317 -7.653 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.559 14.721 -8.055 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.018 15.327 -6.502 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.651 13.459 -8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.348 13.743 -6.637 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.788 14.707 -8.843 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.552 15.085 -7.148 1.00 0.00 H new ATOM 826 N GLN A 54 7.015 16.131 -10.564 1.00 0.00 N ATOM 827 CA GLN A 54 7.391 16.207 -11.966 1.00 0.00 C ATOM 828 C GLN A 54 7.472 17.667 -12.415 1.00 0.00 C ATOM 829 O GLN A 54 7.977 17.960 -13.498 1.00 0.00 O ATOM 830 CB GLN A 54 6.414 15.418 -12.839 1.00 0.00 C ATOM 831 CG GLN A 54 7.066 14.144 -13.379 1.00 0.00 C ATOM 832 CD GLN A 54 6.562 13.824 -14.788 1.00 0.00 C ATOM 833 OE1 GLN A 54 5.372 13.741 -15.046 1.00 0.00 O ATOM 834 NE2 GLN A 54 7.531 13.649 -15.682 1.00 0.00 N ATOM 0 H GLN A 54 6.114 15.687 -10.388 1.00 0.00 H new ATOM 0 HA GLN A 54 8.376 15.756 -12.083 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.529 15.159 -12.258 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.080 16.040 -13.670 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.149 14.264 -13.395 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.848 13.309 -12.713 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.507 13.733 -15.399 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.298 13.431 -16.651 1.00 0.00 H new ATOM 843 N ASN A 55 6.967 18.545 -11.561 1.00 0.00 N ATOM 844 CA ASN A 55 6.977 19.968 -11.856 1.00 0.00 C ATOM 845 C ASN A 55 8.080 20.646 -11.041 1.00 0.00 C ATOM 846 O ASN A 55 8.685 21.616 -11.496 1.00 0.00 O ATOM 847 CB ASN A 55 5.643 20.617 -11.479 1.00 0.00 C ATOM 848 CG ASN A 55 4.828 20.958 -12.728 1.00 0.00 C ATOM 849 OD1 ASN A 55 5.163 21.843 -13.498 1.00 0.00 O ATOM 850 ND2 ASN A 55 3.740 20.209 -12.885 1.00 0.00 N ATOM 0 H ASN A 55 6.548 18.298 -10.664 1.00 0.00 H new ATOM 0 HA ASN A 55 7.148 20.090 -12.925 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.073 19.941 -10.841 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.826 21.523 -10.901 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.129 20.359 -13.688 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.517 19.484 -12.203 1.00 0.00 H new ATOM 857 N LEU A 56 8.308 20.109 -9.852 1.00 0.00 N ATOM 858 CA LEU A 56 9.328 20.651 -8.970 1.00 0.00 C ATOM 859 C LEU A 56 10.708 20.414 -9.586 1.00 0.00 C ATOM 860 O LEU A 56 10.813 20.009 -10.743 1.00 0.00 O ATOM 861 CB LEU A 56 9.177 20.076 -7.560 1.00 0.00 C ATOM 862 CG LEU A 56 7.837 20.337 -6.869 1.00 0.00 C ATOM 863 CD1 LEU A 56 7.920 20.023 -5.374 1.00 0.00 C ATOM 864 CD2 LEU A 56 7.355 21.766 -7.128 1.00 0.00 C ATOM 0 H LEU A 56 7.804 19.305 -9.478 1.00 0.00 H new ATOM 0 HA LEU A 56 9.207 21.729 -8.865 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.334 18.998 -7.610 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.971 20.485 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 56 7.095 19.664 -7.299 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.954 20.217 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.185 18.975 -5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.680 20.653 -4.912 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.401 21.925 -6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.090 22.473 -6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.231 21.919 -8.200 1.00 0.00 H new ATOM 876 N ALA A 57 11.731 20.675 -8.786 1.00 0.00 N ATOM 877 CA ALA A 57 13.100 20.495 -9.239 1.00 0.00 C ATOM 878 C ALA A 57 13.661 19.199 -8.650 1.00 0.00 C ATOM 879 O ALA A 57 13.002 18.542 -7.845 1.00 0.00 O ATOM 880 CB ALA A 57 13.931 21.720 -8.851 1.00 0.00 C ATOM 0 H ALA A 57 11.640 21.010 -7.827 1.00 0.00 H new ATOM 0 HA ALA A 57 13.137 20.407 -10.325 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.958 21.585 -9.191 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.508 22.609 -9.318 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.920 21.839 -7.768 1.00 0.00 H new ATOM 886 N VAL A 58 14.873 18.870 -9.073 1.00 0.00 N ATOM 887 CA VAL A 58 15.530 17.665 -8.597 1.00 0.00 C ATOM 888 C VAL A 58 15.824 17.805 -7.102 1.00 0.00 C ATOM 889 O VAL A 58 15.501 16.916 -6.316 1.00 0.00 O ATOM 890 CB VAL A 58 16.783 17.389 -9.429 1.00 0.00 C ATOM 891 CG1 VAL A 58 17.587 16.227 -8.842 1.00 0.00 C ATOM 892 CG2 VAL A 58 16.422 17.122 -10.892 1.00 0.00 C ATOM 0 H VAL A 58 15.417 19.417 -9.740 1.00 0.00 H new ATOM 0 HA VAL A 58 14.877 16.801 -8.720 1.00 0.00 H new ATOM 0 HB VAL A 58 17.410 18.280 -9.396 1.00 0.00 H new ATOM 0 HG11 VAL A 58 18.473 16.052 -9.453 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.891 16.472 -7.824 1.00 0.00 H new ATOM 0 HG13 VAL A 58 16.971 15.328 -8.830 1.00 0.00 H new ATOM 0 HG21 VAL A 58 17.331 16.929 -11.462 1.00 0.00 H new ATOM 0 HG22 VAL A 58 15.765 16.255 -10.952 1.00 0.00 H new ATOM 0 HG23 VAL A 58 15.913 17.992 -11.306 1.00 0.00 H new ATOM 902 N GLY A 59 16.433 18.929 -6.755 1.00 0.00 N ATOM 903 CA GLY A 59 16.774 19.198 -5.368 1.00 0.00 C ATOM 904 C GLY A 59 15.584 19.798 -4.617 1.00 0.00 C ATOM 905 O GLY A 59 15.741 20.757 -3.863 1.00 0.00 O ATOM 0 H GLY A 59 16.699 19.664 -7.410 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.088 18.274 -4.881 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.620 19.884 -5.324 1.00 0.00 H new ATOM 909 N ALA A 60 14.420 19.209 -4.849 1.00 0.00 N ATOM 910 CA ALA A 60 13.204 19.673 -4.204 1.00 0.00 C ATOM 911 C ALA A 60 13.036 18.953 -2.864 1.00 0.00 C ATOM 912 O ALA A 60 13.647 17.910 -2.635 1.00 0.00 O ATOM 913 CB ALA A 60 12.014 19.452 -5.139 1.00 0.00 C ATOM 0 H ALA A 60 14.294 18.414 -5.475 1.00 0.00 H new ATOM 0 HA ALA A 60 13.262 20.742 -3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.101 19.800 -4.655 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.169 20.008 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.922 18.390 -5.366 1.00 0.00 H new ATOM 919 N GLY A 61 12.203 19.537 -2.015 1.00 0.00 N ATOM 920 CA GLY A 61 11.947 18.964 -0.705 1.00 0.00 C ATOM 921 C GLY A 61 10.484 18.534 -0.572 1.00 0.00 C ATOM 922 O GLY A 61 9.885 18.054 -1.532 1.00 0.00 O ATOM 0 H GLY A 61 11.697 20.401 -2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.598 18.105 -0.546 1.00 0.00 H new ATOM 0 HA3 GLY A 61 12.187 19.693 0.068 1.00 0.00 H new ATOM 926 N ALA A 62 9.952 18.722 0.627 1.00 0.00 N ATOM 927 CA ALA A 62 8.572 18.359 0.899 1.00 0.00 C ATOM 928 C ALA A 62 7.992 19.320 1.940 1.00 0.00 C ATOM 929 O ALA A 62 8.706 19.783 2.828 1.00 0.00 O ATOM 930 CB ALA A 62 8.507 16.900 1.352 1.00 0.00 C ATOM 0 H ALA A 62 10.452 19.121 1.421 1.00 0.00 H new ATOM 0 HA ALA A 62 7.967 18.447 -0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.471 16.628 1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.903 16.257 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 62 9.100 16.773 2.258 1.00 0.00 H new ATOM 936 N VAL A 63 6.703 19.590 1.796 1.00 0.00 N ATOM 937 CA VAL A 63 6.020 20.486 2.712 1.00 0.00 C ATOM 938 C VAL A 63 5.880 19.806 4.075 1.00 0.00 C ATOM 939 O VAL A 63 5.905 20.470 5.110 1.00 0.00 O ATOM 940 CB VAL A 63 4.677 20.917 2.119 1.00 0.00 C ATOM 941 CG1 VAL A 63 4.235 22.268 2.686 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.740 20.958 0.591 1.00 0.00 C ATOM 0 H VAL A 63 6.114 19.204 1.058 1.00 0.00 H new ATOM 0 HA VAL A 63 6.602 21.396 2.861 1.00 0.00 H new ATOM 0 HB VAL A 63 3.932 20.174 2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.278 22.551 2.248 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.130 22.192 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.982 23.025 2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.773 21.267 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.504 21.669 0.277 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.988 19.967 0.210 1.00 0.00 H new ATOM 952 N GLY A 64 5.737 18.489 4.032 1.00 0.00 N ATOM 953 CA GLY A 64 5.593 17.711 5.251 1.00 0.00 C ATOM 954 C GLY A 64 5.764 16.217 4.971 1.00 0.00 C ATOM 955 O GLY A 64 5.414 15.740 3.893 1.00 0.00 O ATOM 0 H GLY A 64 5.718 17.941 3.172 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.333 18.035 5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.611 17.893 5.689 1.00 0.00 H new ATOM 959 N SER A 65 6.303 15.520 5.960 1.00 0.00 N ATOM 960 CA SER A 65 6.525 14.090 5.834 1.00 0.00 C ATOM 961 C SER A 65 5.794 13.346 6.954 1.00 0.00 C ATOM 962 O SER A 65 5.605 13.886 8.043 1.00 0.00 O ATOM 963 CB SER A 65 8.019 13.759 5.865 1.00 0.00 C ATOM 964 OG SER A 65 8.662 14.303 7.014 1.00 0.00 O ATOM 0 H SER A 65 6.593 15.919 6.853 1.00 0.00 H new ATOM 0 HA SER A 65 6.128 13.766 4.872 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.151 12.677 5.854 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.495 14.148 4.965 1.00 0.00 H new ATOM 0 HG SER A 65 9.613 14.069 6.998 1.00 0.00 H new ATOM 970 N LEU A 66 5.402 12.118 6.647 1.00 0.00 N ATOM 971 CA LEU A 66 4.696 11.295 7.614 1.00 0.00 C ATOM 972 C LEU A 66 5.254 9.871 7.569 1.00 0.00 C ATOM 973 O LEU A 66 5.000 9.130 6.621 1.00 0.00 O ATOM 974 CB LEU A 66 3.185 11.371 7.380 1.00 0.00 C ATOM 975 CG LEU A 66 2.361 11.982 8.515 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.875 12.022 8.154 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.611 11.245 9.833 1.00 0.00 C ATOM 0 H LEU A 66 5.560 11.673 5.743 1.00 0.00 H new ATOM 0 HA LEU A 66 4.859 11.670 8.625 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.006 11.951 6.475 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.815 10.363 7.191 1.00 0.00 H new ATOM 0 HG LEU A 66 2.686 13.013 8.656 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.312 12.461 8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.735 12.625 7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.518 11.009 7.970 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.013 11.699 10.623 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.331 10.197 9.723 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.667 11.313 10.093 1.00 0.00 H new ATOM 989 N GLN A 67 6.004 9.531 8.607 1.00 0.00 N ATOM 990 CA GLN A 67 6.600 8.209 8.698 1.00 0.00 C ATOM 991 C GLN A 67 5.515 7.150 8.902 1.00 0.00 C ATOM 992 O GLN A 67 4.734 7.231 9.848 1.00 0.00 O ATOM 993 CB GLN A 67 7.639 8.152 9.820 1.00 0.00 C ATOM 994 CG GLN A 67 8.658 9.285 9.682 1.00 0.00 C ATOM 995 CD GLN A 67 9.538 9.083 8.446 1.00 0.00 C ATOM 996 OE1 GLN A 67 9.220 9.870 7.422 1.00 0.00 O flip ATOM 997 NE2 GLN A 67 10.444 8.267 8.424 1.00 0.00 N flip ATOM 0 H GLN A 67 6.213 10.148 9.392 1.00 0.00 H new ATOM 0 HA GLN A 67 7.114 7.999 7.760 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.140 8.223 10.786 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.153 7.191 9.796 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.138 10.240 9.610 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.282 9.328 10.574 1.00 0.00 H new ATOM 0 HE21 GLN A 67 10.635 7.694 9.246 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.011 8.157 7.583 1.00 0.00 H new ATOM 1006 N LEU A 68 5.501 6.181 7.998 1.00 0.00 N ATOM 1007 CA LEU A 68 4.525 5.108 8.066 1.00 0.00 C ATOM 1008 C LEU A 68 4.676 4.371 9.398 1.00 0.00 C ATOM 1009 O LEU A 68 3.756 3.683 9.839 1.00 0.00 O ATOM 1010 CB LEU A 68 4.644 4.197 6.843 1.00 0.00 C ATOM 1011 CG LEU A 68 4.309 4.838 5.494 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.173 3.776 4.401 1.00 0.00 C ATOM 1013 CD2 LEU A 68 3.060 5.715 5.599 1.00 0.00 C ATOM 0 H LEU A 68 6.151 6.117 7.214 1.00 0.00 H new ATOM 0 HA LEU A 68 3.513 5.512 8.037 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.664 3.814 6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.987 3.339 6.988 1.00 0.00 H new ATOM 0 HG LEU A 68 5.136 5.488 5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.935 4.258 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.112 3.230 4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.375 3.082 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.844 6.158 4.627 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.213 5.106 5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.231 6.506 6.329 1.00 0.00 H new ATOM 1025 N THR A 69 5.843 4.540 10.003 1.00 0.00 N ATOM 1026 CA THR A 69 6.126 3.899 11.276 1.00 0.00 C ATOM 1027 C THR A 69 5.166 4.406 12.353 1.00 0.00 C ATOM 1028 O THR A 69 4.991 3.762 13.387 1.00 0.00 O ATOM 1029 CB THR A 69 7.599 4.144 11.611 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.735 3.666 12.946 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.937 5.633 11.711 1.00 0.00 C ATOM 0 H THR A 69 6.603 5.112 9.635 1.00 0.00 H new ATOM 0 HA THR A 69 5.964 2.822 11.222 1.00 0.00 H new ATOM 0 HB THR A 69 8.227 3.680 10.850 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.661 3.785 13.243 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.994 5.751 11.950 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.724 6.119 10.759 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.334 6.091 12.495 1.00 0.00 H new ATOM 1039 N TYR A 70 4.568 5.555 12.075 1.00 0.00 N ATOM 1040 CA TYR A 70 3.630 6.156 13.007 1.00 0.00 C ATOM 1041 C TYR A 70 2.213 5.624 12.779 1.00 0.00 C ATOM 1042 O TYR A 70 1.579 5.119 13.704 1.00 0.00 O ATOM 1043 CB TYR A 70 3.651 7.658 12.718 1.00 0.00 C ATOM 1044 CG TYR A 70 4.988 8.333 13.028 1.00 0.00 C ATOM 1045 CD1 TYR A 70 5.688 7.987 14.167 1.00 0.00 C ATOM 1046 CD2 TYR A 70 5.495 9.288 12.170 1.00 0.00 C ATOM 1047 CE1 TYR A 70 6.947 8.622 14.459 1.00 0.00 C ATOM 1048 CE2 TYR A 70 6.753 9.923 12.463 1.00 0.00 C ATOM 1049 CZ TYR A 70 7.417 9.559 13.593 1.00 0.00 C ATOM 1050 OH TYR A 70 8.606 10.159 13.869 1.00 0.00 O ATOM 0 H TYR A 70 4.715 6.086 11.217 1.00 0.00 H new ATOM 0 HA TYR A 70 3.909 5.925 14.035 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.410 7.819 11.667 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.868 8.141 13.302 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.291 7.240 14.839 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.948 9.559 11.279 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.505 8.360 15.346 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.161 10.672 11.800 1.00 0.00 H new ATOM 0 HH TYR A 70 8.818 10.806 13.164 1.00 0.00 H new ATOM 1060 N ILE A 71 1.758 5.757 11.541 1.00 0.00 N ATOM 1061 CA ILE A 71 0.429 5.296 11.180 1.00 0.00 C ATOM 1062 C ILE A 71 0.227 3.873 11.702 1.00 0.00 C ATOM 1063 O ILE A 71 1.125 3.038 11.604 1.00 0.00 O ATOM 1064 CB ILE A 71 0.205 5.435 9.672 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.274 6.902 9.241 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.108 4.774 9.249 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.555 7.182 8.454 1.00 0.00 C ATOM 0 H ILE A 71 2.286 6.177 10.776 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.331 5.919 11.651 1.00 0.00 H new ATOM 0 HB ILE A 71 1.009 4.910 9.157 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.594 7.146 8.629 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.235 7.545 10.120 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.242 4.887 8.173 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.080 3.714 9.501 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.939 5.249 9.771 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.579 8.231 8.160 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.421 6.960 9.078 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.579 6.555 7.563 1.00 0.00 H new ATOM 1079 N SER A 72 -0.958 3.639 12.247 1.00 0.00 N ATOM 1080 CA SER A 72 -1.289 2.331 12.786 1.00 0.00 C ATOM 1081 C SER A 72 -2.556 1.795 12.117 1.00 0.00 C ATOM 1082 O SER A 72 -2.628 0.617 11.768 1.00 0.00 O ATOM 1083 CB SER A 72 -1.474 2.391 14.303 1.00 0.00 C ATOM 1084 OG SER A 72 -1.031 1.197 14.943 1.00 0.00 O ATOM 0 H SER A 72 -1.701 4.333 12.327 1.00 0.00 H new ATOM 0 HA SER A 72 -0.461 1.655 12.575 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.922 3.242 14.702 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.526 2.557 14.534 1.00 0.00 H new ATOM 0 HG SER A 72 -1.164 1.276 15.911 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.525 2.685 11.958 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.786 2.316 11.337 1.00 0.00 C ATOM 1092 C LYS A 73 -5.327 3.508 10.544 1.00 0.00 C ATOM 1093 O LYS A 73 -5.091 4.659 10.909 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.763 1.780 12.385 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.212 1.965 11.930 1.00 0.00 C ATOM 1096 CD LYS A 73 -7.530 1.064 10.735 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.544 -0.017 11.118 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.292 -1.258 10.353 1.00 0.00 N ATOM 0 H LYS A 73 -3.462 3.661 12.249 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.638 1.502 10.628 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.566 0.723 12.563 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.606 2.298 13.331 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.888 1.735 12.754 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.382 3.007 11.660 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.926 1.665 9.917 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.614 0.597 10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.480 -0.222 12.187 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.555 0.339 10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.663 -2.073 10.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.766 -1.199 9.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.269 -1.376 10.210 1.00 0.00 H new ATOM 1112 N VAL A 74 -6.042 3.191 9.475 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.618 4.221 8.628 1.00 0.00 C ATOM 1114 C VAL A 74 -8.093 3.902 8.375 1.00 0.00 C ATOM 1115 O VAL A 74 -8.413 3.018 7.582 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.806 4.353 7.338 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.302 5.530 6.495 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.312 4.488 7.642 1.00 0.00 C ATOM 0 H VAL A 74 -6.236 2.235 9.176 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.575 5.191 9.124 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.949 3.442 6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.708 5.601 5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.349 5.375 6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.203 6.453 7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.758 4.580 6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.144 5.375 8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.969 3.605 8.182 1.00 0.00 H new ATOM 1128 N SER A 75 -8.951 4.638 9.065 1.00 0.00 N ATOM 1129 CA SER A 75 -10.385 4.445 8.925 1.00 0.00 C ATOM 1130 C SER A 75 -11.047 5.747 8.472 1.00 0.00 C ATOM 1131 O SER A 75 -10.462 6.822 8.597 1.00 0.00 O ATOM 1132 CB SER A 75 -11.006 3.962 10.238 1.00 0.00 C ATOM 1133 OG SER A 75 -12.418 3.806 10.135 1.00 0.00 O ATOM 0 H SER A 75 -8.681 5.369 9.723 1.00 0.00 H new ATOM 0 HA SER A 75 -10.555 3.678 8.170 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.556 3.011 10.524 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.777 4.674 11.031 1.00 0.00 H new ATOM 0 HG SER A 75 -12.776 3.495 10.993 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.259 5.608 7.954 1.00 0.00 N ATOM 1140 CA ILE A 76 -13.007 6.760 7.481 1.00 0.00 C ATOM 1141 C ILE A 76 -13.548 7.540 8.682 1.00 0.00 C ATOM 1142 O ILE A 76 -14.209 6.971 9.549 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.090 6.327 6.492 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.520 5.377 5.436 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.775 7.541 5.861 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.147 5.852 4.956 1.00 0.00 C ATOM 0 H ILE A 76 -12.741 4.715 7.852 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.355 7.436 6.928 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.854 5.777 7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.437 4.373 5.852 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.204 5.316 4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.541 7.204 5.162 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.237 8.145 6.642 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.036 8.140 5.329 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -11.764 5.160 4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.238 6.846 4.519 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.459 5.889 5.801 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.245 8.830 8.694 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.693 9.693 9.774 1.00 0.00 C ATOM 1160 C ALA A 77 -15.218 9.630 9.873 1.00 0.00 C ATOM 1161 O ALA A 77 -15.868 8.954 9.077 1.00 0.00 O ATOM 1162 CB ALA A 77 -13.182 11.115 9.536 1.00 0.00 C ATOM 0 H ALA A 77 -12.695 9.298 7.974 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.287 9.356 10.728 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.518 11.763 10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.092 11.109 9.504 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.571 11.488 8.588 1.00 0.00 H new ATOM 1168 N THR A 78 -15.746 10.345 10.856 1.00 0.00 N ATOM 1169 CA THR A 78 -17.182 10.379 11.069 1.00 0.00 C ATOM 1170 C THR A 78 -17.644 11.808 11.361 1.00 0.00 C ATOM 1171 O THR A 78 -16.824 12.696 11.585 1.00 0.00 O ATOM 1172 CB THR A 78 -17.518 9.391 12.188 1.00 0.00 C ATOM 1173 OG1 THR A 78 -17.306 10.136 13.384 1.00 0.00 O ATOM 1174 CG2 THR A 78 -16.509 8.245 12.279 1.00 0.00 C ATOM 0 H THR A 78 -15.204 10.905 11.514 1.00 0.00 H new ATOM 0 HA THR A 78 -17.722 10.073 10.173 1.00 0.00 H new ATOM 0 HB THR A 78 -18.516 8.984 12.025 1.00 0.00 H new ATOM 0 HG1 THR A 78 -18.053 9.985 14.000 1.00 0.00 H new ATOM 0 HG21 THR A 78 -16.794 7.573 13.089 1.00 0.00 H new ATOM 0 HG22 THR A 78 -16.497 7.695 11.338 1.00 0.00 H new ATOM 0 HG23 THR A 78 -15.516 8.649 12.475 1.00 0.00 H new ATOM 1182 N PRO A 79 -18.992 11.990 11.349 1.00 0.00 N ATOM 1183 CA PRO A 79 -19.573 13.296 11.609 1.00 0.00 C ATOM 1184 C PRO A 79 -19.506 13.639 13.099 1.00 0.00 C ATOM 1185 O PRO A 79 -19.931 14.717 13.511 1.00 0.00 O ATOM 1186 CB PRO A 79 -20.997 13.205 11.085 1.00 0.00 C ATOM 1187 CG PRO A 79 -21.307 11.720 10.975 1.00 0.00 C ATOM 1188 CD PRO A 79 -19.995 10.961 11.088 1.00 0.00 C ATOM 0 HA PRO A 79 -19.032 14.103 11.115 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -21.694 13.700 11.761 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -21.089 13.696 10.116 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -21.994 11.414 11.764 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -21.794 11.501 10.025 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -20.030 10.228 11.894 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -19.773 10.415 10.171 1.00 0.00 H new ATOM 1196 N LYS A 80 -18.968 12.701 13.865 1.00 0.00 N ATOM 1197 CA LYS A 80 -18.839 12.891 15.300 1.00 0.00 C ATOM 1198 C LYS A 80 -17.447 13.443 15.615 1.00 0.00 C ATOM 1199 O LYS A 80 -17.220 13.985 16.695 1.00 0.00 O ATOM 1200 CB LYS A 80 -19.169 11.595 16.044 1.00 0.00 C ATOM 1201 CG LYS A 80 -19.430 11.865 17.527 1.00 0.00 C ATOM 1202 CD LYS A 80 -18.211 11.495 18.374 1.00 0.00 C ATOM 1203 CE LYS A 80 -18.424 11.881 19.839 1.00 0.00 C ATOM 1204 NZ LYS A 80 -17.290 11.414 20.668 1.00 0.00 N ATOM 0 H LYS A 80 -18.617 11.808 13.519 1.00 0.00 H new ATOM 0 HA LYS A 80 -19.561 13.627 15.653 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -20.046 11.128 15.596 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -18.344 10.891 15.939 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -19.672 12.918 17.672 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -20.295 11.291 17.858 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -18.024 10.424 18.300 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -17.327 12.001 17.986 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.524 12.963 19.925 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.354 11.445 20.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.450 11.684 21.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.213 10.379 20.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -16.409 11.850 20.329 1.00 0.00 H new ATOM 1218 N GLN A 81 -16.552 13.285 14.651 1.00 0.00 N ATOM 1219 CA GLN A 81 -15.188 13.761 14.811 1.00 0.00 C ATOM 1220 C GLN A 81 -14.919 14.932 13.863 1.00 0.00 C ATOM 1221 O GLN A 81 -14.392 15.963 14.278 1.00 0.00 O ATOM 1222 CB GLN A 81 -14.183 12.630 14.585 1.00 0.00 C ATOM 1223 CG GLN A 81 -13.960 11.829 15.869 1.00 0.00 C ATOM 1224 CD GLN A 81 -12.591 11.146 15.859 1.00 0.00 C ATOM 1225 OE1 GLN A 81 -11.574 11.742 15.548 1.00 0.00 O ATOM 1226 NE2 GLN A 81 -12.624 9.865 16.216 1.00 0.00 N ATOM 0 H GLN A 81 -16.744 12.834 13.756 1.00 0.00 H new ATOM 0 HA GLN A 81 -15.065 14.113 15.835 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -14.546 11.969 13.798 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.235 13.044 14.242 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.034 12.491 16.732 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -14.744 11.079 15.975 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.511 9.428 16.465 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.762 9.320 16.241 1.00 0.00 H new ATOM 1235 N LYS A 82 -15.293 14.733 12.608 1.00 0.00 N ATOM 1236 CA LYS A 82 -15.099 15.759 11.597 1.00 0.00 C ATOM 1237 C LYS A 82 -16.236 15.684 10.576 1.00 0.00 C ATOM 1238 O LYS A 82 -16.070 15.114 9.498 1.00 0.00 O ATOM 1239 CB LYS A 82 -13.706 15.643 10.977 1.00 0.00 C ATOM 1240 CG LYS A 82 -12.680 16.446 11.779 1.00 0.00 C ATOM 1241 CD LYS A 82 -12.899 17.950 11.600 1.00 0.00 C ATOM 1242 CE LYS A 82 -12.519 18.714 12.869 1.00 0.00 C ATOM 1243 NZ LYS A 82 -13.733 19.152 13.594 1.00 0.00 N ATOM 0 H LYS A 82 -15.730 13.876 12.268 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.140 16.751 12.047 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.406 14.596 10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -13.731 16.003 9.948 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.755 16.187 12.835 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.673 16.181 11.457 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.303 18.311 10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.943 18.142 11.354 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.912 18.079 13.515 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -11.910 19.580 12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -13.459 19.741 14.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.339 19.705 12.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.256 18.318 13.931 1.00 0.00 H new ATOM 1257 N PRO A 83 -17.395 16.283 10.960 1.00 0.00 N ATOM 1258 CA PRO A 83 -18.558 16.289 10.089 1.00 0.00 C ATOM 1259 C PRO A 83 -18.381 17.288 8.944 1.00 0.00 C ATOM 1260 O PRO A 83 -17.409 18.043 8.919 1.00 0.00 O ATOM 1261 CB PRO A 83 -19.728 16.629 10.998 1.00 0.00 C ATOM 1262 CG PRO A 83 -19.120 17.255 12.243 1.00 0.00 C ATOM 1263 CD PRO A 83 -17.627 16.967 12.228 1.00 0.00 C ATOM 0 HA PRO A 83 -18.719 15.330 9.596 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -20.415 17.320 10.509 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -20.300 15.736 11.249 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -19.301 18.330 12.257 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -19.579 16.842 13.141 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -17.046 17.887 12.294 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -17.335 16.344 13.073 1.00 0.00 H new ATOM 1271 N LYS A 84 -19.334 17.261 8.025 1.00 0.00 N ATOM 1272 CA LYS A 84 -19.295 18.155 6.880 1.00 0.00 C ATOM 1273 C LYS A 84 -18.238 17.663 5.889 1.00 0.00 C ATOM 1274 O LYS A 84 -17.738 18.437 5.075 1.00 0.00 O ATOM 1275 CB LYS A 84 -19.085 19.601 7.336 1.00 0.00 C ATOM 1276 CG LYS A 84 -19.816 19.872 8.653 1.00 0.00 C ATOM 1277 CD LYS A 84 -20.128 21.362 8.810 1.00 0.00 C ATOM 1278 CE LYS A 84 -18.861 22.156 9.134 1.00 0.00 C ATOM 1279 NZ LYS A 84 -19.206 23.532 9.557 1.00 0.00 N ATOM 0 H LYS A 84 -20.138 16.634 8.050 1.00 0.00 H new ATOM 0 HA LYS A 84 -20.251 18.146 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -18.020 19.796 7.460 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -19.447 20.285 6.568 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -20.742 19.298 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -19.203 19.535 9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -20.575 21.742 7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -20.862 21.502 9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -18.303 21.655 9.925 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -18.212 22.190 8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.335 24.057 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.719 24.013 8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -19.807 23.494 10.405 1.00 0.00 H new ATOM 1293 N THR A 85 -17.929 16.379 5.992 1.00 0.00 N ATOM 1294 CA THR A 85 -16.941 15.775 5.116 1.00 0.00 C ATOM 1295 C THR A 85 -17.406 14.389 4.663 1.00 0.00 C ATOM 1296 O THR A 85 -17.516 13.471 5.475 1.00 0.00 O ATOM 1297 CB THR A 85 -15.602 15.754 5.856 1.00 0.00 C ATOM 1298 OG1 THR A 85 -15.905 15.138 7.105 1.00 0.00 O ATOM 1299 CG2 THR A 85 -15.123 17.156 6.239 1.00 0.00 C ATOM 0 H THR A 85 -18.346 15.740 6.669 1.00 0.00 H new ATOM 0 HA THR A 85 -16.815 16.356 4.203 1.00 0.00 H new ATOM 0 HB THR A 85 -14.850 15.271 5.232 1.00 0.00 H new ATOM 0 HG1 THR A 85 -15.801 15.793 7.826 1.00 0.00 H new ATOM 0 HG21 THR A 85 -14.169 17.084 6.761 1.00 0.00 H new ATOM 0 HG22 THR A 85 -14.999 17.757 5.338 1.00 0.00 H new ATOM 0 HG23 THR A 85 -15.859 17.627 6.891 1.00 0.00 H new ATOM 1307 N PRO A 86 -17.673 14.278 3.334 1.00 0.00 N ATOM 1308 CA PRO A 86 -18.123 13.020 2.763 1.00 0.00 C ATOM 1309 C PRO A 86 -16.967 12.025 2.650 1.00 0.00 C ATOM 1310 O PRO A 86 -16.907 11.049 3.396 1.00 0.00 O ATOM 1311 CB PRO A 86 -18.722 13.391 1.417 1.00 0.00 C ATOM 1312 CG PRO A 86 -18.170 14.767 1.080 1.00 0.00 C ATOM 1313 CD PRO A 86 -17.553 15.344 2.343 1.00 0.00 C ATOM 0 HA PRO A 86 -18.861 12.515 3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -18.448 12.663 0.654 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -19.811 13.408 1.465 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -17.424 14.696 0.289 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.964 15.417 0.712 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.511 15.621 2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -18.077 16.244 2.664 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.077 12.305 1.709 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.926 11.447 1.488 1.00 0.00 C ATOM 1323 C PHE A 87 -13.713 11.940 2.280 1.00 0.00 C ATOM 1324 O PHE A 87 -12.796 12.532 1.712 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.603 11.507 -0.007 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.815 11.801 -0.893 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.715 10.819 -1.162 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -15.991 13.046 -1.412 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -17.840 11.092 -1.985 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.116 13.320 -2.235 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.016 12.337 -2.504 1.00 0.00 C ATOM 0 H PHE A 87 -16.130 13.115 1.091 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.151 10.432 1.815 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.848 12.275 -0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.164 10.557 -0.312 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.575 9.831 -0.750 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.275 13.826 -1.198 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.555 10.312 -2.199 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.256 14.309 -2.647 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.871 12.545 -3.130 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.748 11.679 3.578 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.664 12.090 4.454 1.00 0.00 C ATOM 1343 C CYS A 88 -12.267 10.893 5.320 1.00 0.00 C ATOM 1344 O CYS A 88 -13.126 10.218 5.885 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.049 13.305 5.300 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.392 14.833 4.537 1.00 0.00 S ATOM 0 H CYS A 88 -14.510 11.188 4.045 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.809 12.404 3.856 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.134 13.369 5.386 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.655 13.195 6.310 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.093 14.782 4.513 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.964 10.666 5.398 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.442 9.562 6.186 1.00 0.00 C ATOM 1354 C PHE A 89 -9.468 10.063 7.255 1.00 0.00 C ATOM 1355 O PHE A 89 -8.737 11.026 7.030 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.693 8.639 5.223 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.633 9.349 4.378 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -9.011 10.150 3.346 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -7.314 9.180 4.660 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -8.028 10.809 2.562 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -6.330 9.839 3.876 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.708 10.640 2.843 1.00 0.00 C ATOM 0 H PHE A 89 -10.254 11.228 4.928 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.259 9.047 6.690 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.214 7.845 5.796 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.414 8.163 4.558 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -10.059 10.285 3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.014 8.545 5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.328 11.445 1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.282 9.704 4.100 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.960 11.141 2.246 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.491 9.387 8.394 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.619 9.752 9.498 1.00 0.00 C ATOM 1374 C VAL A 90 -7.480 8.736 9.600 1.00 0.00 C ATOM 1375 O VAL A 90 -7.720 7.530 9.637 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.431 9.871 10.789 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.559 9.586 12.014 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.094 11.246 10.896 1.00 0.00 C ATOM 0 H VAL A 90 -10.099 8.589 8.577 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.169 10.729 9.322 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.221 9.120 10.758 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.161 9.677 12.918 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.156 8.575 11.947 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.738 10.302 12.051 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.665 11.304 11.823 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.327 12.021 10.893 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.763 11.394 10.048 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.264 9.260 9.642 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.087 8.414 9.739 1.00 0.00 C ATOM 1390 C ILE A 91 -4.731 8.209 11.212 1.00 0.00 C ATOM 1391 O ILE A 91 -4.203 9.112 11.859 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.942 8.991 8.904 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.158 8.719 7.414 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.589 8.468 9.392 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.227 9.581 6.559 1.00 0.00 C ATOM 0 H ILE A 91 -6.068 10.261 9.611 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.291 7.429 9.320 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.935 10.073 9.036 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.979 7.665 7.203 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.195 8.925 7.150 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.793 8.894 8.781 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.442 8.756 10.433 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.568 7.381 9.310 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.401 9.368 5.504 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.426 10.635 6.754 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.190 9.355 6.809 1.00 0.00 H new ATOM 1407 N ASN A 92 -5.035 7.015 11.701 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.754 6.680 13.086 1.00 0.00 C ATOM 1409 C ASN A 92 -3.278 6.301 13.226 1.00 0.00 C ATOM 1410 O ASN A 92 -2.800 5.394 12.547 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.594 5.486 13.545 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.448 5.852 14.761 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -6.030 6.573 15.652 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.664 5.315 14.749 1.00 0.00 N ATOM 0 H ASN A 92 -5.473 6.268 11.162 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.996 7.549 13.698 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.238 5.155 12.730 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.940 4.650 13.794 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.310 5.498 15.517 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.951 4.720 13.972 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.598 7.015 14.110 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.186 6.766 14.347 1.00 0.00 C ATOM 1423 C ALA A 93 -0.964 6.494 15.837 1.00 0.00 C ATOM 1424 O ALA A 93 -1.857 5.996 16.521 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.366 7.954 13.843 1.00 0.00 C ATOM 0 H ALA A 93 -2.998 7.767 14.671 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.854 5.885 13.798 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.693 7.767 14.021 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.537 8.087 12.775 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.669 8.857 14.374 1.00 0.00 H new ATOM 1431 N LEU A 94 0.232 6.833 16.295 1.00 0.00 N ATOM 1432 CA LEU A 94 0.583 6.632 17.691 1.00 0.00 C ATOM 1433 C LEU A 94 -0.619 6.981 18.570 1.00 0.00 C ATOM 1434 O LEU A 94 -1.243 6.097 19.155 1.00 0.00 O ATOM 1435 CB LEU A 94 1.850 7.414 18.043 1.00 0.00 C ATOM 1436 CG LEU A 94 3.060 7.173 17.138 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.365 7.484 17.873 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.046 5.752 16.571 1.00 0.00 C ATOM 0 H LEU A 94 0.970 7.245 15.725 1.00 0.00 H new ATOM 0 HA LEU A 94 0.821 5.585 17.877 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.613 8.478 18.024 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.132 7.168 19.067 1.00 0.00 H new ATOM 0 HG LEU A 94 2.996 7.858 16.292 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.209 7.304 17.207 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.366 8.528 18.187 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.451 6.842 18.749 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.917 5.607 15.931 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.074 5.033 17.390 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.138 5.602 15.987 1.00 0.00 H new ATOM 1450 N SER A 95 -0.909 8.273 18.635 1.00 0.00 N ATOM 1451 CA SER A 95 -2.026 8.750 19.433 1.00 0.00 C ATOM 1452 C SER A 95 -2.547 10.072 18.867 1.00 0.00 C ATOM 1453 O SER A 95 -2.892 10.981 19.620 1.00 0.00 O ATOM 1454 CB SER A 95 -1.622 8.922 20.898 1.00 0.00 C ATOM 1455 OG SER A 95 -1.898 7.756 21.669 1.00 0.00 O ATOM 0 H SER A 95 -0.390 9.004 18.148 1.00 0.00 H new ATOM 0 HA SER A 95 -2.821 8.005 19.389 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.558 9.151 20.956 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.155 9.772 21.323 1.00 0.00 H new ATOM 0 HG SER A 95 -1.743 6.958 21.122 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.587 10.138 17.544 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.060 11.334 16.868 1.00 0.00 C ATOM 1463 C GLN A 96 -3.990 10.958 15.713 1.00 0.00 C ATOM 1464 O GLN A 96 -3.942 9.835 15.213 1.00 0.00 O ATOM 1465 CB GLN A 96 -1.887 12.184 16.374 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.349 13.196 15.324 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.195 14.106 14.895 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -0.037 13.867 15.196 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.575 15.159 14.177 1.00 0.00 N ATOM 0 H GLN A 96 -2.299 9.382 16.922 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.625 11.933 17.582 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.433 12.708 17.215 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.119 11.538 15.949 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.744 12.669 14.455 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.162 13.799 15.728 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.562 15.299 13.961 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.880 15.826 13.843 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.814 11.919 15.322 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.753 11.703 14.235 1.00 0.00 C ATOM 1480 C ARG A 97 -5.623 12.815 13.192 1.00 0.00 C ATOM 1481 O ARG A 97 -5.886 13.980 13.485 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.193 11.664 14.751 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.623 13.033 15.280 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.843 12.908 16.195 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.642 13.714 17.420 1.00 0.00 N ATOM 1486 CZ ARG A 97 -7.977 13.284 18.501 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -7.445 12.054 18.515 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -7.843 14.084 19.568 1.00 0.00 N ATOM 0 H ARG A 97 -4.851 12.849 15.739 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.516 10.742 13.778 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.862 11.354 13.949 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.279 10.921 15.543 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.799 13.491 15.827 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.857 13.693 14.444 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.737 13.245 15.671 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.004 11.863 16.460 1.00 0.00 H new ATOM 0 HE ARG A 97 -9.034 14.655 17.443 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.546 11.445 17.703 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.939 11.727 19.338 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.247 15.020 19.557 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.337 13.756 20.391 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.217 12.416 11.995 1.00 0.00 N ATOM 1503 CA TYR A 98 -5.048 13.364 10.907 1.00 0.00 C ATOM 1504 C TYR A 98 -6.247 13.327 9.958 1.00 0.00 C ATOM 1505 O TYR A 98 -6.603 12.268 9.443 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.797 12.917 10.148 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.497 13.086 10.937 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -2.154 12.166 11.907 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.667 14.158 10.678 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.930 12.326 12.650 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.444 14.317 11.420 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.135 13.393 12.369 1.00 0.00 C ATOM 1513 OH TYR A 98 1.020 13.543 13.070 1.00 0.00 O ATOM 0 H TYR A 98 -5.000 11.449 11.755 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.961 14.380 11.293 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.908 11.869 9.871 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.724 13.486 9.221 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.803 11.327 12.109 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.935 14.877 9.919 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.650 11.615 13.413 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.214 15.152 11.227 1.00 0.00 H new ATOM 0 HH TYR A 98 0.825 13.519 14.030 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.836 14.496 9.754 1.00 0.00 N ATOM 1524 CA PHE A 99 -7.987 14.612 8.875 1.00 0.00 C ATOM 1525 C PHE A 99 -7.574 15.126 7.494 1.00 0.00 C ATOM 1526 O PHE A 99 -7.070 16.241 7.369 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.941 15.620 9.517 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.639 15.102 10.777 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.513 14.063 10.691 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.386 15.680 11.981 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -11.160 13.582 11.860 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.033 15.199 13.150 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.907 14.160 13.064 1.00 0.00 C ATOM 0 H PHE A 99 -6.537 15.372 10.183 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.454 13.636 8.744 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.384 16.523 9.768 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.698 15.905 8.786 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.715 13.604 9.734 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.693 16.505 12.049 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.853 12.757 11.792 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.831 15.658 14.107 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.400 13.794 13.953 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.803 14.289 6.493 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.460 14.645 5.127 1.00 0.00 C ATOM 1545 C LEU A 100 -8.720 14.592 4.260 1.00 0.00 C ATOM 1546 O LEU A 100 -9.657 13.856 4.565 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.322 13.762 4.612 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.120 13.604 5.546 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.360 12.488 6.564 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.832 13.386 4.750 1.00 0.00 C ATOM 0 H LEU A 100 -8.222 13.365 6.601 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.084 15.667 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.725 12.772 4.400 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.970 14.172 3.666 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.999 14.531 6.107 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.491 12.397 7.215 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.239 12.725 7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.521 11.546 6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.993 13.277 5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.926 12.484 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.658 14.242 4.098 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.701 15.383 3.197 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.830 15.435 2.284 1.00 0.00 C ATOM 1564 C GLN A 101 -9.407 14.970 0.889 1.00 0.00 C ATOM 1565 O GLN A 101 -8.321 15.307 0.421 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.430 16.842 2.234 1.00 0.00 C ATOM 1567 CG GLN A 101 -11.857 16.810 1.683 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.422 18.225 1.541 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -11.946 19.036 0.764 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.459 18.475 2.335 1.00 0.00 N ATOM 0 H GLN A 101 -7.922 15.993 2.948 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.601 14.759 2.653 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.432 17.276 3.234 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -9.809 17.484 1.609 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.865 16.312 0.713 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.494 16.225 2.347 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.807 17.750 2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.906 19.392 2.317 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.287 14.202 0.264 1.00 0.00 N ATOM 1580 CA ALA A 102 -10.019 13.686 -1.068 1.00 0.00 C ATOM 1581 C ALA A 102 -10.821 14.490 -2.093 1.00 0.00 C ATOM 1582 O ALA A 102 -11.622 15.348 -1.724 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.346 12.192 -1.113 1.00 0.00 C ATOM 0 H ALA A 102 -11.187 13.924 0.655 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.963 13.796 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.145 11.805 -2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.728 11.662 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.398 12.042 -0.871 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.578 14.184 -3.359 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.268 14.868 -4.439 1.00 0.00 C ATOM 1591 C ASN A 103 -12.640 14.225 -4.650 1.00 0.00 C ATOM 1592 O ASN A 103 -13.666 14.898 -4.557 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.487 14.755 -5.750 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.607 15.987 -5.971 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -9.899 16.854 -6.779 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.516 16.016 -5.211 1.00 0.00 N ATOM 0 H ASN A 103 -9.913 13.472 -3.661 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.364 15.919 -4.165 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.867 13.859 -5.732 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.181 14.645 -6.583 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.864 16.797 -5.284 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.331 15.257 -4.555 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.615 12.930 -4.930 1.00 0.00 N ATOM 1604 CA ASP A 104 -13.844 12.189 -5.154 1.00 0.00 C ATOM 1605 C ASP A 104 -13.975 11.093 -4.094 1.00 0.00 C ATOM 1606 O ASP A 104 -13.319 11.149 -3.055 1.00 0.00 O ATOM 1607 CB ASP A 104 -13.839 11.518 -6.529 1.00 0.00 C ATOM 1608 CG ASP A 104 -13.337 12.397 -7.676 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -12.113 12.651 -7.702 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -14.188 12.795 -8.500 1.00 0.00 O ATOM 0 H ASP A 104 -11.763 12.375 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.676 12.891 -5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.218 10.624 -6.478 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.852 11.189 -6.760 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.826 10.123 -4.393 1.00 0.00 N ATOM 1616 CA GLN A 105 -15.051 9.016 -3.479 1.00 0.00 C ATOM 1617 C GLN A 105 -14.026 7.907 -3.726 1.00 0.00 C ATOM 1618 O GLN A 105 -13.718 7.130 -2.823 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.479 8.482 -3.606 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.581 7.057 -3.059 1.00 0.00 C ATOM 1621 CD GLN A 105 -18.011 6.526 -3.177 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.679 6.685 -4.186 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.443 5.887 -2.093 1.00 0.00 N ATOM 0 H GLN A 105 -15.368 10.081 -5.256 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.924 9.380 -2.459 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.164 9.134 -3.064 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.785 8.497 -4.652 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.901 6.404 -3.606 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.268 7.041 -2.015 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.833 5.789 -1.282 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.385 5.495 -2.073 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.526 7.869 -4.952 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.543 6.868 -5.329 1.00 0.00 C ATOM 1634 C LYS A 106 -11.199 7.212 -4.684 1.00 0.00 C ATOM 1635 O LYS A 106 -10.680 6.444 -3.876 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.477 6.728 -6.851 1.00 0.00 C ATOM 1637 CG LYS A 106 -11.817 5.407 -7.252 1.00 0.00 C ATOM 1638 CD LYS A 106 -12.493 4.809 -8.488 1.00 0.00 C ATOM 1639 CE LYS A 106 -13.087 3.434 -8.176 1.00 0.00 C ATOM 1640 NZ LYS A 106 -13.171 2.615 -9.406 1.00 0.00 N ATOM 0 H LYS A 106 -13.783 8.516 -5.698 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.835 5.887 -4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.483 6.778 -7.268 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.916 7.562 -7.272 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.759 5.572 -7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.876 4.701 -6.424 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.279 5.478 -8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -11.768 4.721 -9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.471 2.925 -7.434 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.080 3.550 -7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.330 1.620 -9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.960 2.952 -9.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.282 2.697 -9.939 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.674 8.367 -5.065 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.400 8.822 -4.534 1.00 0.00 C ATOM 1656 C ASP A 107 -9.407 8.679 -3.011 1.00 0.00 C ATOM 1657 O ASP A 107 -8.365 8.442 -2.402 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.158 10.295 -4.870 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.729 10.634 -5.298 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -7.021 9.691 -5.710 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.377 11.830 -5.203 1.00 0.00 O ATOM 0 H ASP A 107 -11.108 9.002 -5.735 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.612 8.216 -4.981 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.839 10.587 -5.669 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.413 10.898 -3.998 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.593 8.828 -2.440 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.750 8.718 -1.000 1.00 0.00 C ATOM 1668 C LEU A 108 -10.389 7.298 -0.559 1.00 0.00 C ATOM 1669 O LEU A 108 -9.356 7.084 0.074 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.154 9.155 -0.578 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.549 8.841 0.866 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.423 7.587 0.936 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.313 8.728 1.760 1.00 0.00 C ATOM 0 H LEU A 108 -11.455 9.024 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.065 9.395 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.239 10.231 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.876 8.680 -1.243 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.146 9.671 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.689 7.387 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.330 7.743 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.873 6.737 0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.622 8.504 2.781 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.670 7.929 1.392 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.765 9.670 1.745 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.261 6.364 -0.910 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.048 4.971 -0.558 1.00 0.00 C ATOM 1687 C LYS A 109 -9.621 4.567 -0.936 1.00 0.00 C ATOM 1688 O LYS A 109 -8.872 4.065 -0.099 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.125 4.087 -1.191 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.333 3.945 -0.262 1.00 0.00 C ATOM 1691 CD LYS A 109 -14.573 4.602 -0.871 1.00 0.00 C ATOM 1692 CE LYS A 109 -15.788 4.431 0.043 1.00 0.00 C ATOM 1693 NZ LYS A 109 -16.161 5.726 0.657 1.00 0.00 N ATOM 0 H LYS A 109 -12.117 6.545 -1.435 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.146 4.831 0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.441 4.517 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.711 3.102 -1.408 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.531 2.889 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -13.111 4.403 0.702 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.383 5.663 -1.035 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.781 4.161 -1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -16.628 4.037 -0.529 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.564 3.703 0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -17.161 5.700 0.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.568 5.897 1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.017 6.491 -0.032 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.288 4.800 -2.197 1.00 0.00 N ATOM 1708 CA ASP A 110 -7.965 4.467 -2.696 1.00 0.00 C ATOM 1709 C ASP A 110 -6.921 4.822 -1.636 1.00 0.00 C ATOM 1710 O ASP A 110 -6.168 3.960 -1.187 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.639 5.257 -3.964 1.00 0.00 C ATOM 1712 CG ASP A 110 -7.556 4.422 -5.243 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -8.463 3.582 -5.432 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -6.589 4.642 -6.003 1.00 0.00 O ATOM 0 H ASP A 110 -9.912 5.216 -2.888 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.949 3.401 -2.922 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.398 6.027 -4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.688 5.769 -3.820 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.909 6.095 -1.266 1.00 0.00 N ATOM 1720 CA TRP A 111 -5.969 6.575 -0.268 1.00 0.00 C ATOM 1721 C TRP A 111 -6.084 5.672 0.962 1.00 0.00 C ATOM 1722 O TRP A 111 -5.120 5.008 1.341 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.214 8.052 0.050 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.333 9.015 -0.748 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.714 9.916 -1.664 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -3.897 9.136 -0.665 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.634 10.606 -2.174 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.494 10.117 -1.547 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -2.970 8.440 0.131 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.156 10.491 -1.719 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.636 8.826 -0.052 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.214 9.811 -0.937 1.00 0.00 C ATOM 0 H TRP A 111 -7.535 6.808 -1.640 1.00 0.00 H new ATOM 0 HA TRP A 111 -4.947 6.524 -0.644 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.260 8.286 -0.146 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -6.044 8.217 1.114 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.738 10.081 -1.965 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.666 11.340 -2.881 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.263 7.669 0.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -1.866 11.262 -2.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.883 8.323 0.536 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.164 10.051 -1.021 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.270 5.677 1.552 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.523 4.867 2.731 1.00 0.00 C ATOM 1745 C VAL A 112 -6.925 3.474 2.525 1.00 0.00 C ATOM 1746 O VAL A 112 -6.107 3.021 3.325 1.00 0.00 O ATOM 1747 CB VAL A 112 -9.023 4.835 3.033 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.342 3.807 4.120 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.533 6.223 3.424 1.00 0.00 C ATOM 0 H VAL A 112 -8.067 6.230 1.235 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.039 5.303 3.605 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.541 4.532 2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.414 3.805 4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.032 2.817 3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.807 4.066 5.034 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.602 6.172 3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -9.005 6.568 4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.356 6.920 2.604 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.356 2.833 1.449 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.874 1.500 1.128 1.00 0.00 C ATOM 1761 C GLU A 113 -5.346 1.493 1.051 1.00 0.00 C ATOM 1762 O GLU A 113 -4.694 0.644 1.657 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.490 0.994 -0.178 1.00 0.00 C ATOM 1764 CG GLU A 113 -9.011 1.159 -0.166 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.705 -0.113 -0.661 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.506 -1.159 -0.006 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.418 -0.009 -1.682 1.00 0.00 O ATOM 0 H GLU A 113 -8.034 3.212 0.788 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.182 0.822 1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.068 1.542 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.236 -0.056 -0.322 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.347 1.391 0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.294 2.001 -0.797 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.818 2.450 0.301 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.379 2.565 0.138 1.00 0.00 C ATOM 1776 C ALA A 114 -2.724 2.714 1.513 1.00 0.00 C ATOM 1777 O ALA A 114 -1.730 2.053 1.806 1.00 0.00 O ATOM 1778 CB ALA A 114 -3.062 3.740 -0.789 1.00 0.00 C ATOM 0 H ALA A 114 -5.361 3.153 -0.200 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.973 1.666 -0.325 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.982 3.826 -0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.525 3.571 -1.761 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.453 4.661 -0.356 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.309 3.588 2.319 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.794 3.833 3.656 1.00 0.00 C ATOM 1786 C LEU A 115 -3.066 2.610 4.534 1.00 0.00 C ATOM 1787 O LEU A 115 -2.486 2.473 5.610 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.367 5.135 4.220 1.00 0.00 C ATOM 1789 CG LEU A 115 -2.911 6.422 3.531 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -3.924 7.549 3.749 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.506 6.820 3.986 1.00 0.00 C ATOM 0 H LEU A 115 -4.134 4.135 2.072 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.713 3.973 3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.454 5.083 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.102 5.198 5.276 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.861 6.235 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.576 8.453 3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.889 7.255 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.029 7.742 4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.206 7.738 3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.505 6.982 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.804 6.024 3.738 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.948 1.752 4.042 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.303 0.545 4.769 1.00 0.00 C ATOM 1805 C ASN A 116 -3.416 -0.608 4.298 1.00 0.00 C ATOM 1806 O ASN A 116 -3.353 -1.653 4.945 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.760 0.156 4.511 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.591 0.260 5.792 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.737 -0.688 6.546 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.125 1.461 5.995 1.00 0.00 N ATOM 0 H ASN A 116 -4.427 1.869 3.149 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.164 0.738 5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.183 0.806 3.745 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.805 -0.863 4.126 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.697 1.632 6.822 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -6.963 2.211 5.323 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.751 -0.381 3.175 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.869 -1.388 2.610 1.00 0.00 C ATOM 1819 C GLN A 117 -0.416 -1.097 2.993 1.00 0.00 C ATOM 1820 O GLN A 117 0.302 -1.990 3.442 1.00 0.00 O ATOM 1821 CB GLN A 117 -2.030 -1.468 1.091 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.427 -1.965 0.713 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.368 -2.892 -0.503 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -2.652 -2.656 -1.463 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -4.159 -3.957 -0.410 1.00 0.00 N ATOM 0 H GLN A 117 -2.805 0.486 2.641 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.146 -2.358 3.023 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.858 -0.485 0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.277 -2.139 0.677 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.870 -2.494 1.557 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.073 -1.115 0.496 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -4.733 -4.095 0.422 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -4.192 -4.636 -1.170 1.00 0.00 H new ATOM 1834 N ALA A 118 -0.027 0.154 2.802 1.00 0.00 N ATOM 1835 CA ALA A 118 1.327 0.574 3.122 1.00 0.00 C ATOM 1836 C ALA A 118 1.568 0.404 4.623 1.00 0.00 C ATOM 1837 O ALA A 118 2.672 0.060 5.043 1.00 0.00 O ATOM 1838 CB ALA A 118 1.538 2.017 2.657 1.00 0.00 C ATOM 0 H ALA A 118 -0.625 0.891 2.430 1.00 0.00 H new ATOM 0 HA ALA A 118 2.055 -0.047 2.599 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.554 2.332 2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.384 2.078 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.827 2.670 3.163 1.00 0.00 H new ATOM 1844 N SER A 119 0.517 0.652 5.390 1.00 0.00 N ATOM 1845 CA SER A 119 0.600 0.531 6.836 1.00 0.00 C ATOM 1846 C SER A 119 0.230 -0.891 7.264 1.00 0.00 C ATOM 1847 O SER A 119 0.296 -1.224 8.446 1.00 0.00 O ATOM 1848 CB SER A 119 -0.310 1.547 7.527 1.00 0.00 C ATOM 1849 OG SER A 119 0.304 2.116 8.681 1.00 0.00 O ATOM 0 H SER A 119 -0.397 0.936 5.038 1.00 0.00 H new ATOM 0 HA SER A 119 1.626 0.739 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.567 2.340 6.825 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.243 1.062 7.815 1.00 0.00 H new ATOM 0 HG SER A 119 0.645 1.400 9.257 1.00 0.00 H new ATOM 1855 N LYS A 120 -0.152 -1.690 6.279 1.00 0.00 N ATOM 1856 CA LYS A 120 -0.533 -3.068 6.539 1.00 0.00 C ATOM 1857 C LYS A 120 -1.316 -3.138 7.852 1.00 0.00 C ATOM 1858 O LYS A 120 -0.752 -3.456 8.898 1.00 0.00 O ATOM 1859 CB LYS A 120 0.695 -3.979 6.506 1.00 0.00 C ATOM 1860 CG LYS A 120 1.910 -3.241 5.940 1.00 0.00 C ATOM 1861 CD LYS A 120 2.956 -4.228 5.416 1.00 0.00 C ATOM 1862 CE LYS A 120 3.744 -4.854 6.567 1.00 0.00 C ATOM 1863 NZ LYS A 120 5.178 -4.502 6.465 1.00 0.00 N ATOM 0 H LYS A 120 -0.206 -1.410 5.300 1.00 0.00 H new ATOM 0 HA LYS A 120 -1.194 -3.435 5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 120 0.917 -4.333 7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 120 0.484 -4.859 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 120 1.595 -2.578 5.134 1.00 0.00 H new ATOM 0 HG3 LYS A 120 2.352 -2.614 6.714 1.00 0.00 H new ATOM 0 HD2 LYS A 120 2.465 -5.011 4.839 1.00 0.00 H new ATOM 0 HD3 LYS A 120 3.639 -3.714 4.740 1.00 0.00 H new ATOM 0 HE2 LYS A 120 3.345 -4.507 7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 120 3.627 -5.938 6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 5.699 -4.935 7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 5.559 -4.855 5.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 5.285 -3.468 6.505 1.00 0.00 H new ATOM 1877 N SER A 121 -2.602 -2.834 7.754 1.00 0.00 N ATOM 1878 CA SER A 121 -3.467 -2.858 8.921 1.00 0.00 C ATOM 1879 C SER A 121 -3.371 -4.218 9.616 1.00 0.00 C ATOM 1880 O SER A 121 -3.696 -4.341 10.796 1.00 0.00 O ATOM 1881 CB SER A 121 -4.917 -2.558 8.538 1.00 0.00 C ATOM 1882 OG SER A 121 -5.648 -1.987 9.620 1.00 0.00 O ATOM 0 H SER A 121 -3.066 -2.570 6.885 1.00 0.00 H new ATOM 0 HA SER A 121 -3.134 -2.081 9.610 1.00 0.00 H new ATOM 0 HB2 SER A 121 -4.934 -1.875 7.689 1.00 0.00 H new ATOM 0 HB3 SER A 121 -5.405 -3.478 8.217 1.00 0.00 H new ATOM 0 HG SER A 121 -5.396 -2.432 10.456 1.00 0.00 H new ATOM 1888 N GLY A 122 -2.925 -5.206 8.854 1.00 0.00 N ATOM 1889 CA GLY A 122 -2.783 -6.552 9.381 1.00 0.00 C ATOM 1890 C GLY A 122 -1.684 -7.318 8.640 1.00 0.00 C ATOM 1891 O GLY A 122 -1.266 -6.916 7.556 1.00 0.00 O ATOM 0 H GLY A 122 -2.657 -5.101 7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.546 -6.507 10.444 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -3.729 -7.085 9.287 1.00 0.00 H new ATOM 1895 N PRO A 123 -1.237 -8.436 9.272 1.00 0.00 N ATOM 1896 CA PRO A 123 -0.195 -9.262 8.685 1.00 0.00 C ATOM 1897 C PRO A 123 -0.745 -10.095 7.526 1.00 0.00 C ATOM 1898 O PRO A 123 -0.600 -11.316 7.511 1.00 0.00 O ATOM 1899 CB PRO A 123 0.326 -10.112 9.833 1.00 0.00 C ATOM 1900 CG PRO A 123 -0.748 -10.067 10.907 1.00 0.00 C ATOM 1901 CD PRO A 123 -1.710 -8.942 10.558 1.00 0.00 C ATOM 0 HA PRO A 123 0.611 -8.674 8.245 1.00 0.00 H new ATOM 0 HB2 PRO A 123 0.510 -11.136 9.508 1.00 0.00 H new ATOM 0 HB3 PRO A 123 1.271 -9.722 10.210 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -1.276 -11.019 10.958 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -0.301 -9.897 11.887 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -2.735 -9.305 10.488 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -1.700 -8.162 11.319 1.00 0.00 H new ATOM 1909 N SER A 124 -1.363 -9.401 6.581 1.00 0.00 N ATOM 1910 CA SER A 124 -1.934 -10.062 5.420 1.00 0.00 C ATOM 1911 C SER A 124 -1.426 -9.399 4.138 1.00 0.00 C ATOM 1912 O SER A 124 -1.368 -8.173 4.050 1.00 0.00 O ATOM 1913 CB SER A 124 -3.463 -10.029 5.465 1.00 0.00 C ATOM 1914 OG SER A 124 -4.043 -10.538 4.267 1.00 0.00 O ATOM 0 H SER A 124 -1.481 -8.388 6.596 1.00 0.00 H new ATOM 0 HA SER A 124 -1.619 -11.106 5.431 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.813 -10.615 6.315 1.00 0.00 H new ATOM 0 HB3 SER A 124 -3.799 -9.004 5.624 1.00 0.00 H new ATOM 0 HG SER A 124 -5.020 -10.502 4.335 1.00 0.00 H new ATOM 1920 N SER A 125 -1.072 -10.238 3.176 1.00 0.00 N ATOM 1921 CA SER A 125 -0.571 -9.748 1.903 1.00 0.00 C ATOM 1922 C SER A 125 -1.249 -10.495 0.752 1.00 0.00 C ATOM 1923 O SER A 125 -0.956 -11.664 0.508 1.00 0.00 O ATOM 1924 CB SER A 125 0.949 -9.902 1.813 1.00 0.00 C ATOM 1925 OG SER A 125 1.473 -9.334 0.617 1.00 0.00 O ATOM 0 H SER A 125 -1.122 -11.254 3.252 1.00 0.00 H new ATOM 0 HA SER A 125 -0.807 -8.686 1.828 1.00 0.00 H new ATOM 0 HB2 SER A 125 1.413 -9.424 2.675 1.00 0.00 H new ATOM 0 HB3 SER A 125 1.209 -10.960 1.856 1.00 0.00 H new ATOM 0 HG SER A 125 2.446 -9.451 0.598 1.00 0.00 H new ATOM 1931 N GLY A 126 -2.142 -9.787 0.076 1.00 0.00 N ATOM 1932 CA GLY A 126 -2.864 -10.368 -1.044 1.00 0.00 C ATOM 1933 C GLY A 126 -4.193 -10.972 -0.585 1.00 0.00 C ATOM 1934 O GLY A 126 -4.615 -10.761 0.551 1.00 0.00 O ATOM 0 H GLY A 126 -2.382 -8.817 0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -3.049 -9.603 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -2.253 -11.139 -1.515 1.00 0.00 H new TER 1938 GLY A 126