USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 969 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 83 THR OG1 : rot 170:sc= 0.0715 USER MOD Set 1.2: A 94 ASN : amide:sc= 1.06 K(o=1.1,f=-0.58) USER MOD Set 2.1: A 69 SER OG : rot -119:sc= 1.31 USER MOD Set 2.2: A 99 TYR OH : rot 166:sc= 0.719 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 158:sc= 0.756 (180deg=-0.207) USER MOD Single : A 2 LYS NZ :NH3+ 163:sc= -0.136 (180deg=-0.466) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -1.26 F(o=-2.8!,f=-1.3) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-4.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -49:sc= -0.213 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.45 USER MOD Single : A 38 SER OG : rot 180:sc= -0.162 USER MOD Single : A 39 GLN :FLIP amide:sc= -0.0713 F(o=-1.4!,f=-0.071) USER MOD Single : A 41 LYS NZ :NH3+ -178:sc= -0.716 (180deg=-0.773) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.06) USER MOD Single : A 44 MET CE :methyl -128:sc= -2.92 (180deg=-3.97!) USER MOD Single : A 47 GLN : amide:sc= -2.17! C(o=-2.2!,f=-5.2!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 164:sc= -0.101 (180deg=-0.423) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN :FLIP amide:sc= -0.257 F(o=-0.94,f=-0.26) USER MOD Single : A 62 THR OG1 : rot -31:sc= 0.681 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 78 SER OG : rot 180:sc= -0.136 USER MOD Single : A 84 SER OG : rot 62:sc= 1.28 USER MOD Single : A 87 GLN : amide:sc= -0.19 X(o=-0.19,f=0) USER MOD Single : A 95 THR OG1 : rot -149:sc= -1.87! USER MOD Single : A 97 GLN :FLIP amide:sc= -1.1 F(o=-1.8!,f=-1.1) USER MOD Single : A 98 HIS : no HD1:sc=-0.00506 X(o=-0.0051,f=0) USER MOD Single : A 100 LYS NZ :NH3+ -144:sc= 1.24 (180deg=0.48) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot -5:sc= 0.699 USER MOD Single : A 114 THR OG1 : rot -119:sc= 1.23 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 HIS : no HD1:sc= -0.0156 X(o=-0.016,f=-0.014) USER MOD Single : A 121 ASN : amide:sc= -1.36! C(o=-1.4!,f=-2.1!) USER MOD Single : A 122 GLN : amide:sc= -0.736! C(o=-0.74!,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.284 13.154 -6.205 1.00 1.00 N ATOM 2 CA LYS A 1 -0.049 12.565 -6.150 1.00 1.00 C ATOM 3 C LYS A 1 -0.160 11.605 -4.984 1.00 1.00 C ATOM 4 O LYS A 1 0.486 10.558 -4.967 1.00 1.00 O ATOM 5 CB LYS A 1 -0.371 11.818 -7.450 1.00 1.00 C ATOM 6 CG LYS A 1 -1.029 12.669 -8.522 1.00 1.00 C ATOM 7 CD LYS A 1 -1.171 11.909 -9.839 1.00 1.00 C ATOM 8 CE LYS A 1 -2.149 10.731 -9.750 1.00 1.00 C ATOM 9 NZ LYS A 1 -3.522 11.142 -9.371 1.00 1.00 N ATOM 0 H1 LYS A 1 1.341 13.809 -7.011 1.00 1.00 H new ATOM 0 H2 LYS A 1 1.471 13.672 -5.323 1.00 1.00 H new ATOM 0 H3 LYS A 1 1.992 12.401 -6.321 1.00 1.00 H new ATOM 0 HA LYS A 1 -0.764 13.378 -6.019 1.00 1.00 H new ATOM 0 HB2 LYS A 1 0.552 11.401 -7.852 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -1.026 10.978 -7.218 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -2.013 12.990 -8.179 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -0.438 13.571 -8.684 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -1.509 12.597 -10.614 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -0.193 11.539 -10.146 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -2.182 10.220 -10.712 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -1.777 10.012 -9.020 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -4.199 10.415 -9.679 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -3.579 11.253 -8.338 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -3.753 12.046 -9.830 1.00 1.00 H new ATOM 22 N LYS A 2 -0.952 11.969 -4.013 1.00 1.00 N ATOM 23 CA LYS A 2 -1.244 11.117 -2.889 1.00 1.00 C ATOM 24 C LYS A 2 -2.736 10.941 -2.812 1.00 1.00 C ATOM 25 O LYS A 2 -3.418 11.558 -1.991 1.00 1.00 O ATOM 26 CB LYS A 2 -0.691 11.677 -1.578 1.00 1.00 C ATOM 27 CG LYS A 2 0.823 11.634 -1.478 1.00 1.00 C ATOM 28 CD LYS A 2 1.315 12.166 -0.143 1.00 1.00 C ATOM 29 CE LYS A 2 0.956 11.221 1.006 1.00 1.00 C ATOM 30 NZ LYS A 2 1.473 9.843 0.794 1.00 1.00 N ATOM 0 H LYS A 2 -1.419 12.875 -3.978 1.00 1.00 H new ATOM 0 HA LYS A 2 -0.755 10.154 -3.036 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -1.023 12.709 -1.467 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -1.116 11.114 -0.747 1.00 1.00 H new ATOM 0 HG2 LYS A 2 1.167 10.608 -1.610 1.00 1.00 H new ATOM 0 HG3 LYS A 2 1.258 12.222 -2.286 1.00 1.00 H new ATOM 0 HD2 LYS A 2 2.396 12.300 -0.180 1.00 1.00 H new ATOM 0 HD3 LYS A 2 0.878 13.147 0.042 1.00 1.00 H new ATOM 0 HE2 LYS A 2 1.360 11.618 1.938 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -0.128 11.186 1.118 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 1.463 9.326 1.696 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 0.871 9.348 0.105 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 2.447 9.889 0.432 1.00 1.00 H new ATOM 44 N ASP A 3 -3.233 10.121 -3.696 1.00 1.00 N ATOM 45 CA ASP A 3 -4.648 9.887 -3.850 1.00 1.00 C ATOM 46 C ASP A 3 -5.093 8.832 -2.889 1.00 1.00 C ATOM 47 O ASP A 3 -5.204 7.650 -3.244 1.00 1.00 O ATOM 48 CB ASP A 3 -4.963 9.423 -5.278 1.00 1.00 C ATOM 49 CG ASP A 3 -4.584 10.419 -6.339 1.00 1.00 C ATOM 50 OD1 ASP A 3 -3.416 10.418 -6.786 1.00 1.00 O ATOM 51 OD2 ASP A 3 -5.446 11.215 -6.764 1.00 1.00 O ATOM 0 H ASP A 3 -2.657 9.584 -4.344 1.00 1.00 H new ATOM 0 HA ASP A 3 -5.175 10.820 -3.650 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -4.440 8.486 -5.469 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -6.030 9.213 -5.355 1.00 1.00 H new ATOM 56 N VAL A 4 -5.326 9.235 -1.682 1.00 1.00 N ATOM 57 CA VAL A 4 -5.771 8.334 -0.673 1.00 1.00 C ATOM 58 C VAL A 4 -6.861 8.966 0.198 1.00 1.00 C ATOM 59 O VAL A 4 -6.607 9.517 1.278 1.00 1.00 O ATOM 60 CB VAL A 4 -4.583 7.727 0.163 1.00 1.00 C ATOM 61 CG1 VAL A 4 -3.688 8.802 0.759 1.00 1.00 C ATOM 62 CG2 VAL A 4 -5.078 6.761 1.240 1.00 1.00 C ATOM 0 H VAL A 4 -5.213 10.199 -1.369 1.00 1.00 H new ATOM 0 HA VAL A 4 -6.229 7.483 -1.177 1.00 1.00 H new ATOM 0 HB VAL A 4 -3.975 7.155 -0.538 1.00 1.00 H new ATOM 0 HG11 VAL A 4 -2.884 8.333 1.326 1.00 1.00 H new ATOM 0 HG12 VAL A 4 -3.262 9.406 -0.042 1.00 1.00 H new ATOM 0 HG13 VAL A 4 -4.275 9.439 1.421 1.00 1.00 H new ATOM 0 HG21 VAL A 4 -4.226 6.365 1.793 1.00 1.00 H new ATOM 0 HG22 VAL A 4 -5.742 7.289 1.925 1.00 1.00 H new ATOM 0 HG23 VAL A 4 -5.619 5.939 0.771 1.00 1.00 H new ATOM 72 N GLU A 5 -8.063 8.947 -0.329 1.00 1.00 N ATOM 73 CA GLU A 5 -9.230 9.376 0.394 1.00 1.00 C ATOM 74 C GLU A 5 -10.435 8.572 -0.060 1.00 1.00 C ATOM 75 O GLU A 5 -11.305 9.033 -0.810 1.00 1.00 O ATOM 76 CB GLU A 5 -9.455 10.895 0.318 1.00 1.00 C ATOM 77 CG GLU A 5 -9.635 11.461 -1.068 1.00 1.00 C ATOM 78 CD GLU A 5 -9.775 12.941 -1.036 1.00 1.00 C ATOM 79 OE1 GLU A 5 -10.886 13.429 -0.793 1.00 1.00 O ATOM 80 OE2 GLU A 5 -8.768 13.645 -1.236 1.00 1.00 O ATOM 0 H GLU A 5 -8.256 8.630 -1.279 1.00 1.00 H new ATOM 0 HA GLU A 5 -9.070 9.177 1.454 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -10.337 11.143 0.909 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -8.606 11.393 0.787 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -8.781 11.188 -1.688 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -10.518 11.020 -1.531 1.00 1.00 H new ATOM 87 N TYR A 6 -10.458 7.358 0.375 1.00 1.00 N ATOM 88 CA TYR A 6 -11.458 6.438 0.047 1.00 1.00 C ATOM 89 C TYR A 6 -11.702 5.564 1.211 1.00 1.00 C ATOM 90 O TYR A 6 -10.917 5.542 2.154 1.00 1.00 O ATOM 91 CB TYR A 6 -11.098 5.640 -1.216 1.00 1.00 C ATOM 92 CG TYR A 6 -9.642 5.229 -1.321 1.00 1.00 C ATOM 93 CD1 TYR A 6 -9.096 4.223 -0.535 1.00 1.00 C ATOM 94 CD2 TYR A 6 -8.812 5.871 -2.222 1.00 1.00 C ATOM 95 CE1 TYR A 6 -7.759 3.877 -0.654 1.00 1.00 C ATOM 96 CE2 TYR A 6 -7.491 5.531 -2.345 1.00 1.00 C ATOM 97 CZ TYR A 6 -6.966 4.538 -1.563 1.00 1.00 C ATOM 98 OH TYR A 6 -5.639 4.200 -1.698 1.00 1.00 O ATOM 0 H TYR A 6 -9.743 6.977 0.995 1.00 1.00 H new ATOM 0 HA TYR A 6 -12.379 6.970 -0.190 1.00 1.00 H new ATOM 0 HB2 TYR A 6 -11.716 4.743 -1.249 1.00 1.00 H new ATOM 0 HB3 TYR A 6 -11.355 6.237 -2.091 1.00 1.00 H new ATOM 0 HD1 TYR A 6 -9.720 3.704 0.177 1.00 1.00 H new ATOM 0 HD2 TYR A 6 -9.215 6.658 -2.842 1.00 1.00 H new ATOM 0 HE1 TYR A 6 -7.343 3.094 -0.037 1.00 1.00 H new ATOM 0 HE2 TYR A 6 -6.864 6.046 -3.058 1.00 1.00 H new ATOM 0 HH TYR A 6 -5.226 4.764 -2.384 1.00 1.00 H new ATOM 108 N ARG A 7 -12.769 4.880 1.176 1.00 1.00 N ATOM 109 CA ARG A 7 -13.147 4.065 2.289 1.00 1.00 C ATOM 110 C ARG A 7 -13.228 2.642 1.878 1.00 1.00 C ATOM 111 O ARG A 7 -13.985 2.315 0.966 1.00 1.00 O ATOM 112 CB ARG A 7 -14.507 4.496 2.867 1.00 1.00 C ATOM 113 CG ARG A 7 -14.632 5.982 3.132 1.00 1.00 C ATOM 114 CD ARG A 7 -13.650 6.455 4.189 1.00 1.00 C ATOM 115 NE ARG A 7 -13.577 7.918 4.228 1.00 1.00 N ATOM 116 CZ ARG A 7 -12.495 8.618 4.599 1.00 1.00 C ATOM 117 NH1 ARG A 7 -11.398 7.991 5.036 1.00 1.00 N ATOM 118 NH2 ARG A 7 -12.518 9.944 4.548 1.00 1.00 N ATOM 0 H ARG A 7 -13.415 4.857 0.387 1.00 1.00 H new ATOM 0 HA ARG A 7 -12.385 4.189 3.058 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -15.294 4.195 2.175 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -14.679 3.957 3.799 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -14.461 6.531 2.206 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -15.648 6.209 3.454 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -13.953 6.077 5.166 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -12.662 6.044 3.981 1.00 1.00 H new ATOM 0 HE ARG A 7 -14.408 8.441 3.953 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -11.380 6.973 5.089 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -10.579 8.531 5.316 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -13.357 10.428 4.227 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -11.697 10.480 4.829 1.00 1.00 H new ATOM 132 N PRO A 8 -12.378 1.794 2.450 1.00 1.00 N ATOM 133 CA PRO A 8 -12.541 0.359 2.333 1.00 1.00 C ATOM 134 C PRO A 8 -13.913 0.010 2.897 1.00 1.00 C ATOM 135 O PRO A 8 -14.128 0.030 4.115 1.00 1.00 O ATOM 136 CB PRO A 8 -11.430 -0.218 3.220 1.00 1.00 C ATOM 137 CG PRO A 8 -10.437 0.887 3.395 1.00 1.00 C ATOM 138 CD PRO A 8 -11.170 2.184 3.187 1.00 1.00 C ATOM 0 HA PRO A 8 -12.478 -0.023 1.314 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -11.826 -0.544 4.182 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -10.969 -1.089 2.753 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -9.994 0.851 4.390 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -9.621 0.788 2.679 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -11.417 2.659 4.136 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -10.569 2.896 2.621 1.00 1.00 H new ATOM 146 N LEU A 9 -14.825 -0.272 2.020 1.00 1.00 N ATOM 147 CA LEU A 9 -16.195 -0.435 2.383 1.00 1.00 C ATOM 148 C LEU A 9 -16.622 -1.864 2.243 1.00 1.00 C ATOM 149 O LEU A 9 -15.994 -2.635 1.530 1.00 1.00 O ATOM 150 CB LEU A 9 -17.066 0.437 1.491 1.00 1.00 C ATOM 151 CG LEU A 9 -18.437 0.750 2.045 1.00 1.00 C ATOM 152 CD1 LEU A 9 -18.406 2.027 2.852 1.00 1.00 C ATOM 153 CD2 LEU A 9 -19.475 0.799 0.952 1.00 1.00 C ATOM 0 H LEU A 9 -14.637 -0.396 1.025 1.00 1.00 H new ATOM 0 HA LEU A 9 -16.310 -0.138 3.425 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -16.543 1.375 1.304 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -17.185 -0.059 0.528 1.00 1.00 H new ATOM 0 HG LEU A 9 -18.726 -0.058 2.717 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -19.402 2.235 3.242 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -17.707 1.916 3.681 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -18.086 2.852 2.215 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -20.449 1.026 1.385 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -19.209 1.573 0.232 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -19.518 -0.166 0.448 1.00 1.00 H new ATOM 165 N THR A 10 -17.684 -2.206 2.914 1.00 1.00 N ATOM 166 CA THR A 10 -18.233 -3.527 2.840 1.00 1.00 C ATOM 167 C THR A 10 -19.535 -3.440 2.054 1.00 1.00 C ATOM 168 O THR A 10 -20.398 -2.604 2.346 1.00 1.00 O ATOM 169 CB THR A 10 -18.482 -4.099 4.248 1.00 1.00 C ATOM 170 OG1 THR A 10 -17.280 -3.950 5.027 1.00 1.00 O ATOM 171 CG2 THR A 10 -18.836 -5.579 4.168 1.00 1.00 C ATOM 0 H THR A 10 -18.195 -1.573 3.530 1.00 1.00 H new ATOM 0 HA THR A 10 -17.533 -4.199 2.343 1.00 1.00 H new ATOM 0 HB THR A 10 -19.310 -3.561 4.710 1.00 1.00 H new ATOM 0 HG1 THR A 10 -17.427 -4.309 5.927 1.00 1.00 H new ATOM 0 HG21 THR A 10 -19.009 -5.967 5.172 1.00 1.00 H new ATOM 0 HG22 THR A 10 -19.739 -5.705 3.570 1.00 1.00 H new ATOM 0 HG23 THR A 10 -18.014 -6.125 3.705 1.00 1.00 H new ATOM 179 N LEU A 11 -19.637 -4.226 1.043 1.00 1.00 N ATOM 180 CA LEU A 11 -20.751 -4.202 0.163 1.00 1.00 C ATOM 181 C LEU A 11 -21.325 -5.616 0.032 1.00 1.00 C ATOM 182 O LEU A 11 -20.577 -6.589 0.006 1.00 1.00 O ATOM 183 CB LEU A 11 -20.265 -3.674 -1.175 1.00 1.00 C ATOM 184 CG LEU A 11 -21.317 -3.253 -2.158 1.00 1.00 C ATOM 185 CD1 LEU A 11 -22.163 -2.154 -1.546 1.00 1.00 C ATOM 186 CD2 LEU A 11 -20.655 -2.767 -3.434 1.00 1.00 C ATOM 0 H LEU A 11 -18.931 -4.921 0.798 1.00 1.00 H new ATOM 0 HA LEU A 11 -21.545 -3.558 0.540 1.00 1.00 H new ATOM 0 HB2 LEU A 11 -19.614 -2.820 -0.987 1.00 1.00 H new ATOM 0 HB3 LEU A 11 -19.652 -4.445 -1.642 1.00 1.00 H new ATOM 0 HG LEU A 11 -21.959 -4.100 -2.400 1.00 1.00 H new ATOM 0 HD11 LEU A 11 -22.929 -1.845 -2.258 1.00 1.00 H new ATOM 0 HD12 LEU A 11 -22.639 -2.524 -0.638 1.00 1.00 H new ATOM 0 HD13 LEU A 11 -21.530 -1.301 -1.302 1.00 1.00 H new ATOM 0 HD21 LEU A 11 -21.420 -2.461 -4.147 1.00 1.00 H new ATOM 0 HD22 LEU A 11 -20.010 -1.918 -3.208 1.00 1.00 H new ATOM 0 HD23 LEU A 11 -20.059 -3.572 -3.864 1.00 1.00 H new ATOM 198 N ASN A 12 -22.625 -5.730 -0.037 1.00 1.00 N ATOM 199 CA ASN A 12 -23.269 -7.019 -0.119 1.00 1.00 C ATOM 200 C ASN A 12 -23.583 -7.376 -1.562 1.00 1.00 C ATOM 201 O ASN A 12 -24.399 -6.702 -2.215 1.00 1.00 O ATOM 202 CB ASN A 12 -24.548 -7.020 0.711 1.00 1.00 C ATOM 203 CG ASN A 12 -25.283 -8.340 0.657 1.00 1.00 C ATOM 204 OD1 ASN A 12 -26.149 -8.495 -0.315 1.00 1.00 O flip ATOM 205 ND2 ASN A 12 -25.067 -9.216 1.478 1.00 1.00 N flip ATOM 0 H ASN A 12 -23.267 -4.937 -0.038 1.00 1.00 H new ATOM 0 HA ASN A 12 -22.585 -7.769 0.279 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -24.303 -6.789 1.748 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -25.207 -6.228 0.355 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -24.386 -9.061 2.222 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -25.567 -10.103 1.421 1.00 1.00 H new ATOM 212 N ALA A 13 -22.939 -8.414 -2.051 1.00 1.00 N ATOM 213 CA ALA A 13 -23.148 -8.906 -3.401 1.00 1.00 C ATOM 214 C ALA A 13 -24.461 -9.651 -3.487 1.00 1.00 C ATOM 215 O ALA A 13 -24.674 -10.647 -2.779 1.00 1.00 O ATOM 216 CB ALA A 13 -22.009 -9.829 -3.823 1.00 1.00 C ATOM 0 H ALA A 13 -22.249 -8.946 -1.520 1.00 1.00 H new ATOM 0 HA ALA A 13 -23.173 -8.049 -4.074 1.00 1.00 H new ATOM 0 HB1 ALA A 13 -22.187 -10.186 -4.838 1.00 1.00 H new ATOM 0 HB2 ALA A 13 -21.067 -9.282 -3.790 1.00 1.00 H new ATOM 0 HB3 ALA A 13 -21.959 -10.679 -3.143 1.00 1.00 H new ATOM 222 N LEU A 14 -25.332 -9.176 -4.325 1.00 1.00 N ATOM 223 CA LEU A 14 -26.619 -9.765 -4.506 1.00 1.00 C ATOM 224 C LEU A 14 -27.044 -9.549 -5.960 1.00 1.00 C ATOM 225 O LEU A 14 -26.459 -8.732 -6.649 1.00 1.00 O ATOM 226 CB LEU A 14 -27.588 -9.086 -3.539 1.00 1.00 C ATOM 227 CG LEU A 14 -28.891 -9.798 -3.227 1.00 1.00 C ATOM 228 CD1 LEU A 14 -28.624 -11.229 -2.788 1.00 1.00 C ATOM 229 CD2 LEU A 14 -29.612 -9.043 -2.128 1.00 1.00 C ATOM 0 H LEU A 14 -25.164 -8.357 -4.909 1.00 1.00 H new ATOM 0 HA LEU A 14 -26.608 -10.836 -4.302 1.00 1.00 H new ATOM 0 HB2 LEU A 14 -27.062 -8.922 -2.598 1.00 1.00 H new ATOM 0 HB3 LEU A 14 -27.832 -8.104 -3.944 1.00 1.00 H new ATOM 0 HG LEU A 14 -29.511 -9.827 -4.123 1.00 1.00 H new ATOM 0 HD11 LEU A 14 -29.570 -11.725 -2.568 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -28.110 -11.765 -3.586 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -28.000 -11.225 -1.894 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -30.550 -9.547 -1.896 1.00 1.00 H new ATOM 0 HD22 LEU A 14 -28.986 -9.013 -1.236 1.00 1.00 H new ATOM 0 HD23 LEU A 14 -29.819 -8.026 -2.461 1.00 1.00 H new ATOM 241 N LEU A 15 -28.018 -10.280 -6.430 1.00 1.00 N ATOM 242 CA LEU A 15 -28.484 -10.124 -7.799 1.00 1.00 C ATOM 243 C LEU A 15 -29.993 -9.968 -7.821 1.00 1.00 C ATOM 244 O LEU A 15 -30.691 -10.570 -7.008 1.00 1.00 O ATOM 245 CB LEU A 15 -27.982 -11.277 -8.712 1.00 1.00 C ATOM 246 CG LEU A 15 -28.825 -12.557 -8.799 1.00 1.00 C ATOM 247 CD1 LEU A 15 -28.269 -13.483 -9.867 1.00 1.00 C ATOM 248 CD2 LEU A 15 -28.876 -13.278 -7.472 1.00 1.00 C ATOM 0 H LEU A 15 -28.511 -10.993 -5.892 1.00 1.00 H new ATOM 0 HA LEU A 15 -28.055 -9.212 -8.214 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -27.876 -10.880 -9.721 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -26.985 -11.558 -8.374 1.00 1.00 H new ATOM 0 HG LEU A 15 -29.841 -12.265 -9.066 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -28.877 -14.386 -9.917 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -28.289 -12.978 -10.833 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -27.242 -13.750 -9.618 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -29.481 -14.179 -7.571 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -27.866 -13.551 -7.167 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -29.318 -12.625 -6.720 1.00 1.00 H new ATOM 260 N ALA A 16 -30.484 -9.154 -8.722 1.00 1.00 N ATOM 261 CA ALA A 16 -31.903 -8.840 -8.793 1.00 1.00 C ATOM 262 C ALA A 16 -32.526 -9.404 -10.069 1.00 1.00 C ATOM 263 O ALA A 16 -33.411 -8.787 -10.669 1.00 1.00 O ATOM 264 CB ALA A 16 -32.076 -7.339 -8.746 1.00 1.00 C ATOM 0 H ALA A 16 -29.918 -8.687 -9.430 1.00 1.00 H new ATOM 0 HA ALA A 16 -32.412 -9.298 -7.945 1.00 1.00 H new ATOM 0 HB1 ALA A 16 -33.137 -7.093 -8.799 1.00 1.00 H new ATOM 0 HB2 ALA A 16 -31.660 -6.954 -7.815 1.00 1.00 H new ATOM 0 HB3 ALA A 16 -31.556 -6.886 -9.590 1.00 1.00 H new ATOM 270 N VAL A 17 -32.081 -10.575 -10.466 1.00 1.00 N ATOM 271 CA VAL A 17 -32.504 -11.183 -11.669 1.00 1.00 C ATOM 272 C VAL A 17 -33.987 -11.604 -11.608 1.00 1.00 C ATOM 273 O VAL A 17 -34.753 -11.367 -12.558 1.00 1.00 O ATOM 274 CB VAL A 17 -31.581 -12.371 -11.981 1.00 1.00 C ATOM 275 CG1 VAL A 17 -32.150 -13.206 -13.050 1.00 1.00 C ATOM 276 CG2 VAL A 17 -30.211 -11.864 -12.388 1.00 1.00 C ATOM 0 H VAL A 17 -31.403 -11.127 -9.940 1.00 1.00 H new ATOM 0 HA VAL A 17 -32.432 -10.458 -12.479 1.00 1.00 H new ATOM 0 HB VAL A 17 -31.486 -12.983 -11.084 1.00 1.00 H new ATOM 0 HG11 VAL A 17 -31.480 -14.041 -13.255 1.00 1.00 H new ATOM 0 HG12 VAL A 17 -33.121 -13.588 -12.735 1.00 1.00 H new ATOM 0 HG13 VAL A 17 -32.271 -12.608 -13.953 1.00 1.00 H new ATOM 0 HG21 VAL A 17 -29.560 -12.710 -12.608 1.00 1.00 H new ATOM 0 HG22 VAL A 17 -30.304 -11.237 -13.275 1.00 1.00 H new ATOM 0 HG23 VAL A 17 -29.783 -11.279 -11.574 1.00 1.00 H new ATOM 286 N GLY A 18 -34.395 -12.202 -10.510 1.00 1.00 N ATOM 287 CA GLY A 18 -35.773 -12.611 -10.397 1.00 1.00 C ATOM 288 C GLY A 18 -36.069 -13.429 -9.162 1.00 1.00 C ATOM 289 O GLY A 18 -36.419 -12.873 -8.134 1.00 1.00 O ATOM 0 H GLY A 18 -33.808 -12.411 -9.703 1.00 1.00 H new ATOM 0 HA2 GLY A 18 -36.406 -11.724 -10.394 1.00 1.00 H new ATOM 0 HA3 GLY A 18 -36.043 -13.192 -11.279 1.00 1.00 H new ATOM 293 N PRO A 19 -35.922 -14.767 -9.229 1.00 1.00 N ATOM 294 CA PRO A 19 -36.276 -15.672 -8.112 1.00 1.00 C ATOM 295 C PRO A 19 -35.504 -15.374 -6.832 1.00 1.00 C ATOM 296 O PRO A 19 -36.052 -15.428 -5.737 1.00 1.00 O ATOM 297 CB PRO A 19 -35.910 -17.058 -8.650 1.00 1.00 C ATOM 298 CG PRO A 19 -34.942 -16.795 -9.747 1.00 1.00 C ATOM 299 CD PRO A 19 -35.384 -15.511 -10.376 1.00 1.00 C ATOM 0 HA PRO A 19 -37.323 -15.567 -7.829 1.00 1.00 H new ATOM 0 HB2 PRO A 19 -35.467 -17.680 -7.872 1.00 1.00 H new ATOM 0 HB3 PRO A 19 -36.791 -17.585 -9.017 1.00 1.00 H new ATOM 0 HG2 PRO A 19 -33.926 -16.713 -9.361 1.00 1.00 H new ATOM 0 HG3 PRO A 19 -34.943 -17.608 -10.473 1.00 1.00 H new ATOM 0 HD2 PRO A 19 -34.556 -14.984 -10.850 1.00 1.00 H new ATOM 0 HD3 PRO A 19 -36.139 -15.674 -11.145 1.00 1.00 H new ATOM 307 N GLY A 20 -34.253 -15.024 -6.987 1.00 1.00 N ATOM 308 CA GLY A 20 -33.422 -14.738 -5.862 1.00 1.00 C ATOM 309 C GLY A 20 -33.033 -13.293 -5.832 1.00 1.00 C ATOM 310 O GLY A 20 -31.926 -12.951 -5.397 1.00 1.00 O ATOM 0 H GLY A 20 -33.791 -14.932 -7.892 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -33.948 -14.995 -4.943 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -32.526 -15.358 -5.901 1.00 1.00 H new ATOM 314 N ALA A 21 -33.946 -12.432 -6.292 1.00 1.00 N ATOM 315 CA ALA A 21 -33.714 -10.973 -6.414 1.00 1.00 C ATOM 316 C ALA A 21 -33.641 -10.249 -5.059 1.00 1.00 C ATOM 317 O ALA A 21 -34.248 -9.187 -4.864 1.00 1.00 O ATOM 318 CB ALA A 21 -34.781 -10.344 -7.287 1.00 1.00 C ATOM 0 H ALA A 21 -34.876 -12.721 -6.595 1.00 1.00 H new ATOM 0 HA ALA A 21 -32.736 -10.855 -6.880 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -34.599 -9.272 -7.369 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -34.751 -10.794 -8.279 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -35.762 -10.513 -6.842 1.00 1.00 H new ATOM 324 N GLY A 22 -32.866 -10.789 -4.167 1.00 1.00 N ATOM 325 CA GLY A 22 -32.742 -10.212 -2.859 1.00 1.00 C ATOM 326 C GLY A 22 -32.523 -11.253 -1.790 1.00 1.00 C ATOM 327 O GLY A 22 -32.150 -10.925 -0.660 1.00 1.00 O ATOM 0 H GLY A 22 -32.309 -11.629 -4.320 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -31.910 -9.508 -2.853 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -33.643 -9.643 -2.629 1.00 1.00 H new ATOM 331 N GLU A 23 -32.728 -12.504 -2.147 1.00 1.00 N ATOM 332 CA GLU A 23 -32.624 -13.610 -1.199 1.00 1.00 C ATOM 333 C GLU A 23 -31.690 -14.710 -1.721 1.00 1.00 C ATOM 334 O GLU A 23 -31.795 -15.867 -1.331 1.00 1.00 O ATOM 335 CB GLU A 23 -34.020 -14.173 -0.977 1.00 1.00 C ATOM 336 CG GLU A 23 -34.718 -14.593 -2.264 1.00 1.00 C ATOM 337 CD GLU A 23 -36.160 -14.945 -2.058 1.00 1.00 C ATOM 338 OE1 GLU A 23 -36.456 -16.103 -1.709 1.00 1.00 O ATOM 339 OE2 GLU A 23 -37.031 -14.063 -2.248 1.00 1.00 O ATOM 0 H GLU A 23 -32.971 -12.789 -3.096 1.00 1.00 H new ATOM 0 HA GLU A 23 -32.202 -13.244 -0.263 1.00 1.00 H new ATOM 0 HB2 GLU A 23 -33.954 -15.034 -0.311 1.00 1.00 H new ATOM 0 HB3 GLU A 23 -34.629 -13.424 -0.471 1.00 1.00 H new ATOM 0 HG2 GLU A 23 -34.647 -13.783 -2.990 1.00 1.00 H new ATOM 0 HG3 GLU A 23 -34.197 -15.450 -2.690 1.00 1.00 H new ATOM 346 N ALA A 24 -30.771 -14.339 -2.577 1.00 1.00 N ATOM 347 CA ALA A 24 -29.900 -15.314 -3.221 1.00 1.00 C ATOM 348 C ALA A 24 -28.746 -15.773 -2.339 1.00 1.00 C ATOM 349 O ALA A 24 -28.777 -16.865 -1.778 1.00 1.00 O ATOM 350 CB ALA A 24 -29.360 -14.755 -4.506 1.00 1.00 C ATOM 0 H ALA A 24 -30.600 -13.371 -2.850 1.00 1.00 H new ATOM 0 HA ALA A 24 -30.516 -16.192 -3.417 1.00 1.00 H new ATOM 0 HB1 ALA A 24 -28.711 -15.492 -4.979 1.00 1.00 H new ATOM 0 HB2 ALA A 24 -30.187 -14.517 -5.175 1.00 1.00 H new ATOM 0 HB3 ALA A 24 -28.790 -13.849 -4.298 1.00 1.00 H new ATOM 356 N GLN A 25 -27.736 -14.939 -2.224 1.00 1.00 N ATOM 357 CA GLN A 25 -26.532 -15.289 -1.499 1.00 1.00 C ATOM 358 C GLN A 25 -26.156 -14.213 -0.492 1.00 1.00 C ATOM 359 O GLN A 25 -26.094 -14.470 0.704 1.00 1.00 O ATOM 360 CB GLN A 25 -25.387 -15.557 -2.488 1.00 1.00 C ATOM 361 CG GLN A 25 -25.282 -14.537 -3.622 1.00 1.00 C ATOM 362 CD GLN A 25 -24.309 -14.951 -4.688 1.00 1.00 C ATOM 363 OE1 GLN A 25 -23.134 -14.660 -4.610 1.00 1.00 O ATOM 364 NE2 GLN A 25 -24.794 -15.627 -5.683 1.00 1.00 N ATOM 0 H GLN A 25 -27.725 -14.003 -2.628 1.00 1.00 H new ATOM 0 HA GLN A 25 -26.722 -16.200 -0.932 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -24.445 -15.571 -1.940 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -25.520 -16.549 -2.919 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -26.266 -14.395 -4.069 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -24.977 -13.574 -3.212 1.00 1.00 H new ATOM 0 HE21 GLN A 25 -25.789 -15.851 -5.711 1.00 1.00 H new ATOM 0 HE22 GLN A 25 -24.181 -15.934 -6.438 1.00 1.00 H new ATOM 373 N GLY A 26 -25.940 -13.004 -0.976 1.00 1.00 N ATOM 374 CA GLY A 26 -25.576 -11.919 -0.094 1.00 1.00 C ATOM 375 C GLY A 26 -24.170 -12.084 0.441 1.00 1.00 C ATOM 376 O GLY A 26 -23.974 -12.468 1.593 1.00 1.00 O ATOM 0 H GLY A 26 -26.010 -12.754 -1.962 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -25.654 -10.973 -0.629 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -26.279 -11.874 0.737 1.00 1.00 H new ATOM 380 N VAL A 27 -23.201 -11.810 -0.394 1.00 1.00 N ATOM 381 CA VAL A 27 -21.807 -11.998 -0.032 1.00 1.00 C ATOM 382 C VAL A 27 -21.174 -10.667 0.333 1.00 1.00 C ATOM 383 O VAL A 27 -21.241 -9.722 -0.446 1.00 1.00 O ATOM 384 CB VAL A 27 -21.008 -12.625 -1.205 1.00 1.00 C ATOM 385 CG1 VAL A 27 -19.593 -13.006 -0.779 1.00 1.00 C ATOM 386 CG2 VAL A 27 -21.740 -13.823 -1.769 1.00 1.00 C ATOM 0 H VAL A 27 -23.347 -11.453 -1.338 1.00 1.00 H new ATOM 0 HA VAL A 27 -21.776 -12.672 0.824 1.00 1.00 H new ATOM 0 HB VAL A 27 -20.923 -11.871 -1.988 1.00 1.00 H new ATOM 0 HG11 VAL A 27 -19.063 -13.442 -1.626 1.00 1.00 H new ATOM 0 HG12 VAL A 27 -19.063 -12.116 -0.439 1.00 1.00 H new ATOM 0 HG13 VAL A 27 -19.640 -13.732 0.032 1.00 1.00 H new ATOM 0 HG21 VAL A 27 -21.163 -14.248 -2.590 1.00 1.00 H new ATOM 0 HG22 VAL A 27 -21.866 -14.573 -0.988 1.00 1.00 H new ATOM 0 HG23 VAL A 27 -22.718 -13.512 -2.135 1.00 1.00 H new ATOM 396 N PRO A 28 -20.580 -10.559 1.519 1.00 1.00 N ATOM 397 CA PRO A 28 -19.888 -9.346 1.923 1.00 1.00 C ATOM 398 C PRO A 28 -18.541 -9.211 1.196 1.00 1.00 C ATOM 399 O PRO A 28 -17.555 -9.874 1.535 1.00 1.00 O ATOM 400 CB PRO A 28 -19.680 -9.528 3.432 1.00 1.00 C ATOM 401 CG PRO A 28 -19.691 -11.008 3.647 1.00 1.00 C ATOM 402 CD PRO A 28 -20.562 -11.596 2.566 1.00 1.00 C ATOM 0 HA PRO A 28 -20.448 -8.443 1.680 1.00 1.00 H new ATOM 0 HB2 PRO A 28 -18.737 -9.089 3.756 1.00 1.00 H new ATOM 0 HB3 PRO A 28 -20.471 -9.040 4.001 1.00 1.00 H new ATOM 0 HG2 PRO A 28 -18.681 -11.414 3.594 1.00 1.00 H new ATOM 0 HG3 PRO A 28 -20.082 -11.253 4.635 1.00 1.00 H new ATOM 0 HD2 PRO A 28 -20.154 -12.535 2.191 1.00 1.00 H new ATOM 0 HD3 PRO A 28 -21.566 -11.809 2.934 1.00 1.00 H new ATOM 410 N VAL A 29 -18.520 -8.373 0.198 1.00 1.00 N ATOM 411 CA VAL A 29 -17.331 -8.120 -0.587 1.00 1.00 C ATOM 412 C VAL A 29 -16.865 -6.712 -0.293 1.00 1.00 C ATOM 413 O VAL A 29 -17.664 -5.873 0.135 1.00 1.00 O ATOM 414 CB VAL A 29 -17.613 -8.271 -2.110 1.00 1.00 C ATOM 415 CG1 VAL A 29 -16.326 -8.262 -2.919 1.00 1.00 C ATOM 416 CG2 VAL A 29 -18.418 -9.534 -2.391 1.00 1.00 C ATOM 0 H VAL A 29 -19.334 -7.837 -0.102 1.00 1.00 H new ATOM 0 HA VAL A 29 -16.564 -8.848 -0.320 1.00 1.00 H new ATOM 0 HB VAL A 29 -18.205 -7.410 -2.421 1.00 1.00 H new ATOM 0 HG11 VAL A 29 -16.561 -8.369 -3.978 1.00 1.00 H new ATOM 0 HG12 VAL A 29 -15.801 -7.320 -2.758 1.00 1.00 H new ATOM 0 HG13 VAL A 29 -15.691 -9.090 -2.602 1.00 1.00 H new ATOM 0 HG21 VAL A 29 -18.602 -9.617 -3.462 1.00 1.00 H new ATOM 0 HG22 VAL A 29 -17.859 -10.405 -2.050 1.00 1.00 H new ATOM 0 HG23 VAL A 29 -19.370 -9.484 -1.862 1.00 1.00 H new ATOM 426 N LYS A 30 -15.602 -6.445 -0.476 1.00 1.00 N ATOM 427 CA LYS A 30 -15.104 -5.140 -0.176 1.00 1.00 C ATOM 428 C LYS A 30 -14.730 -4.347 -1.384 1.00 1.00 C ATOM 429 O LYS A 30 -14.203 -4.873 -2.368 1.00 1.00 O ATOM 430 CB LYS A 30 -14.003 -5.144 0.857 1.00 1.00 C ATOM 431 CG LYS A 30 -14.506 -5.513 2.226 1.00 1.00 C ATOM 432 CD LYS A 30 -13.434 -5.398 3.272 1.00 1.00 C ATOM 433 CE LYS A 30 -13.007 -3.954 3.493 1.00 1.00 C ATOM 434 NZ LYS A 30 -12.153 -3.819 4.691 1.00 1.00 N ATOM 0 H LYS A 30 -14.910 -7.107 -0.827 1.00 1.00 H new ATOM 0 HA LYS A 30 -15.952 -4.623 0.274 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -13.227 -5.848 0.555 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -13.541 -4.158 0.896 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -15.342 -4.865 2.491 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -14.887 -6.534 2.209 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -13.797 -5.817 4.211 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -12.569 -5.990 2.972 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -12.466 -3.595 2.617 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -13.890 -3.325 3.602 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -11.880 -2.823 4.812 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -12.678 -4.139 5.530 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -11.299 -4.400 4.576 1.00 1.00 H new ATOM 448 N VAL A 31 -14.993 -3.083 -1.280 1.00 1.00 N ATOM 449 CA VAL A 31 -14.778 -2.116 -2.351 1.00 1.00 C ATOM 450 C VAL A 31 -14.240 -0.823 -1.756 1.00 1.00 C ATOM 451 O VAL A 31 -13.970 -0.761 -0.542 1.00 1.00 O ATOM 452 CB VAL A 31 -16.085 -1.808 -3.148 1.00 1.00 C ATOM 453 CG1 VAL A 31 -16.423 -2.938 -4.113 1.00 1.00 C ATOM 454 CG2 VAL A 31 -17.249 -1.542 -2.205 1.00 1.00 C ATOM 0 H VAL A 31 -15.375 -2.667 -0.431 1.00 1.00 H new ATOM 0 HA VAL A 31 -14.062 -2.552 -3.048 1.00 1.00 H new ATOM 0 HB VAL A 31 -15.908 -0.906 -3.735 1.00 1.00 H new ATOM 0 HG11 VAL A 31 -17.338 -2.694 -4.653 1.00 1.00 H new ATOM 0 HG12 VAL A 31 -15.606 -3.067 -4.823 1.00 1.00 H new ATOM 0 HG13 VAL A 31 -16.567 -3.863 -3.554 1.00 1.00 H new ATOM 0 HG21 VAL A 31 -18.147 -1.330 -2.786 1.00 1.00 H new ATOM 0 HG22 VAL A 31 -17.419 -2.419 -1.581 1.00 1.00 H new ATOM 0 HG23 VAL A 31 -17.016 -0.686 -1.572 1.00 1.00 H new ATOM 464 N LEU A 32 -14.081 0.193 -2.574 1.00 1.00 N ATOM 465 CA LEU A 32 -13.587 1.459 -2.122 1.00 1.00 C ATOM 466 C LEU A 32 -14.589 2.511 -2.368 1.00 1.00 C ATOM 467 O LEU A 32 -15.415 2.366 -3.214 1.00 1.00 O ATOM 468 CB LEU A 32 -12.312 1.862 -2.822 1.00 1.00 C ATOM 469 CG LEU A 32 -11.040 1.174 -2.405 1.00 1.00 C ATOM 470 CD1 LEU A 32 -9.890 1.905 -3.025 1.00 1.00 C ATOM 471 CD2 LEU A 32 -10.910 1.164 -0.893 1.00 1.00 C ATOM 0 H LEU A 32 -14.293 0.157 -3.571 1.00 1.00 H new ATOM 0 HA LEU A 32 -13.384 1.350 -1.057 1.00 1.00 H new ATOM 0 HB2 LEU A 32 -12.449 1.696 -3.891 1.00 1.00 H new ATOM 0 HB3 LEU A 32 -12.176 2.934 -2.681 1.00 1.00 H new ATOM 0 HG LEU A 32 -11.050 0.137 -2.742 1.00 1.00 H new ATOM 0 HD11 LEU A 32 -8.955 1.424 -2.737 1.00 1.00 H new ATOM 0 HD12 LEU A 32 -9.989 1.885 -4.110 1.00 1.00 H new ATOM 0 HD13 LEU A 32 -9.888 2.939 -2.680 1.00 1.00 H new ATOM 0 HD21 LEU A 32 -9.984 0.662 -0.611 1.00 1.00 H new ATOM 0 HD22 LEU A 32 -10.895 2.189 -0.522 1.00 1.00 H new ATOM 0 HD23 LEU A 32 -11.757 0.633 -0.458 1.00 1.00 H new ATOM 483 N ASP A 33 -14.485 3.585 -1.626 1.00 1.00 N ATOM 484 CA ASP A 33 -15.385 4.734 -1.793 1.00 1.00 C ATOM 485 C ASP A 33 -15.139 5.363 -3.144 1.00 1.00 C ATOM 486 O ASP A 33 -16.066 5.862 -3.803 1.00 1.00 O ATOM 487 CB ASP A 33 -15.114 5.747 -0.683 1.00 1.00 C ATOM 488 CG ASP A 33 -15.944 7.001 -0.754 1.00 1.00 C ATOM 489 OD1 ASP A 33 -17.144 6.945 -0.452 1.00 1.00 O ATOM 490 OD2 ASP A 33 -15.379 8.070 -1.074 1.00 1.00 O ATOM 0 H ASP A 33 -13.786 3.702 -0.892 1.00 1.00 H new ATOM 0 HA ASP A 33 -16.424 4.409 -1.734 1.00 1.00 H new ATOM 0 HB2 ASP A 33 -15.290 5.266 0.279 1.00 1.00 H new ATOM 0 HB3 ASP A 33 -14.060 6.024 -0.713 1.00 1.00 H new ATOM 495 N CYS A 34 -13.870 5.261 -3.572 1.00 1.00 N ATOM 496 CA CYS A 34 -13.366 5.829 -4.803 1.00 1.00 C ATOM 497 C CYS A 34 -13.172 4.726 -5.830 1.00 1.00 C ATOM 498 O CYS A 34 -12.190 4.708 -6.597 1.00 1.00 O ATOM 499 CB CYS A 34 -12.046 6.574 -4.540 1.00 1.00 C ATOM 500 SG CYS A 34 -11.439 7.561 -5.927 1.00 1.00 S ATOM 0 H CYS A 34 -13.155 4.762 -3.043 1.00 1.00 H new ATOM 0 HA CYS A 34 -14.087 6.547 -5.195 1.00 1.00 H new ATOM 0 HB2 CYS A 34 -12.181 7.228 -3.679 1.00 1.00 H new ATOM 0 HB3 CYS A 34 -11.282 5.845 -4.270 1.00 1.00 H new ATOM 0 HG CYS A 34 -11.453 6.842 -7.010 1.00 1.00 H new ATOM 506 N ASP A 35 -14.074 3.798 -5.802 1.00 1.00 N ATOM 507 CA ASP A 35 -14.164 2.740 -6.782 1.00 1.00 C ATOM 508 C ASP A 35 -14.668 3.327 -8.113 1.00 1.00 C ATOM 509 O ASP A 35 -14.550 4.519 -8.379 1.00 1.00 O ATOM 510 CB ASP A 35 -15.207 1.712 -6.290 1.00 1.00 C ATOM 511 CG ASP A 35 -16.645 2.290 -6.265 1.00 1.00 C ATOM 512 OD1 ASP A 35 -16.854 3.408 -5.693 1.00 1.00 O ATOM 513 OD2 ASP A 35 -17.540 1.653 -6.823 1.00 1.00 O ATOM 0 H ASP A 35 -14.793 3.745 -5.080 1.00 1.00 H new ATOM 0 HA ASP A 35 -13.188 2.275 -6.919 1.00 1.00 H new ATOM 0 HB2 ASP A 35 -15.182 0.836 -6.938 1.00 1.00 H new ATOM 0 HB3 ASP A 35 -14.937 1.376 -5.289 1.00 1.00 H new ATOM 518 N THR A 36 -15.144 2.483 -8.948 1.00 1.00 N ATOM 519 CA THR A 36 -15.877 2.859 -10.107 1.00 1.00 C ATOM 520 C THR A 36 -16.912 1.789 -10.234 1.00 1.00 C ATOM 521 O THR A 36 -16.678 0.683 -9.748 1.00 1.00 O ATOM 522 CB THR A 36 -15.018 2.929 -11.424 1.00 1.00 C ATOM 523 OG1 THR A 36 -14.473 1.653 -11.748 1.00 1.00 O ATOM 524 CG2 THR A 36 -13.891 3.952 -11.327 1.00 1.00 C ATOM 0 H THR A 36 -15.033 1.474 -8.844 1.00 1.00 H new ATOM 0 HA THR A 36 -16.274 3.868 -9.992 1.00 1.00 H new ATOM 0 HB THR A 36 -15.696 3.246 -12.216 1.00 1.00 H new ATOM 0 HG1 THR A 36 -13.945 1.722 -12.571 1.00 1.00 H new ATOM 0 HG21 THR A 36 -13.328 3.962 -12.260 1.00 1.00 H new ATOM 0 HG22 THR A 36 -14.312 4.941 -11.146 1.00 1.00 H new ATOM 0 HG23 THR A 36 -13.227 3.685 -10.505 1.00 1.00 H new ATOM 532 N ILE A 37 -18.021 2.064 -10.864 1.00 1.00 N ATOM 533 CA ILE A 37 -19.046 1.040 -11.031 1.00 1.00 C ATOM 534 C ILE A 37 -18.469 -0.178 -11.762 1.00 1.00 C ATOM 535 O ILE A 37 -18.774 -1.322 -11.422 1.00 1.00 O ATOM 536 CB ILE A 37 -20.322 1.578 -11.735 1.00 1.00 C ATOM 537 CG1 ILE A 37 -20.834 2.818 -10.997 1.00 1.00 C ATOM 538 CG2 ILE A 37 -21.414 0.510 -11.763 1.00 1.00 C ATOM 539 CD1 ILE A 37 -21.163 2.585 -9.544 1.00 1.00 C ATOM 0 H ILE A 37 -18.248 2.972 -11.270 1.00 1.00 H new ATOM 0 HA ILE A 37 -19.361 0.730 -10.035 1.00 1.00 H new ATOM 0 HB ILE A 37 -20.067 1.842 -12.761 1.00 1.00 H new ATOM 0 HG12 ILE A 37 -20.081 3.603 -11.065 1.00 1.00 H new ATOM 0 HG13 ILE A 37 -21.726 3.186 -11.505 1.00 1.00 H new ATOM 0 HG21 ILE A 37 -22.299 0.907 -12.260 1.00 1.00 H new ATOM 0 HG22 ILE A 37 -21.054 -0.364 -12.306 1.00 1.00 H new ATOM 0 HG23 ILE A 37 -21.669 0.224 -10.743 1.00 1.00 H new ATOM 0 HD11 ILE A 37 -21.518 3.514 -9.098 1.00 1.00 H new ATOM 0 HD12 ILE A 37 -21.939 1.824 -9.464 1.00 1.00 H new ATOM 0 HD13 ILE A 37 -20.270 2.248 -9.018 1.00 1.00 H new ATOM 551 N SER A 38 -17.638 0.081 -12.746 1.00 1.00 N ATOM 552 CA SER A 38 -16.948 -0.965 -13.462 1.00 1.00 C ATOM 553 C SER A 38 -16.033 -1.776 -12.496 1.00 1.00 C ATOM 554 O SER A 38 -16.034 -3.001 -12.515 1.00 1.00 O ATOM 555 CB SER A 38 -16.113 -0.320 -14.557 1.00 1.00 C ATOM 556 OG SER A 38 -16.909 0.578 -15.317 1.00 1.00 O ATOM 0 H SER A 38 -17.422 1.023 -13.072 1.00 1.00 H new ATOM 0 HA SER A 38 -17.671 -1.655 -13.897 1.00 1.00 H new ATOM 0 HB2 SER A 38 -15.271 0.213 -14.116 1.00 1.00 H new ATOM 0 HB3 SER A 38 -15.697 -1.089 -15.208 1.00 1.00 H new ATOM 0 HG SER A 38 -16.361 0.989 -16.018 1.00 1.00 H new ATOM 562 N GLN A 39 -15.305 -1.070 -11.626 1.00 1.00 N ATOM 563 CA GLN A 39 -14.389 -1.699 -10.674 1.00 1.00 C ATOM 564 C GLN A 39 -15.159 -2.490 -9.628 1.00 1.00 C ATOM 565 O GLN A 39 -14.761 -3.598 -9.254 1.00 1.00 O ATOM 566 CB GLN A 39 -13.536 -0.631 -10.005 1.00 1.00 C ATOM 567 CG GLN A 39 -12.492 -1.136 -9.024 1.00 1.00 C ATOM 568 CD GLN A 39 -11.589 -0.014 -8.544 1.00 1.00 C ATOM 569 OE1 GLN A 39 -11.286 0.919 -9.418 1.00 1.00 O flip ATOM 570 NE2 GLN A 39 -11.161 0.003 -7.394 1.00 1.00 N flip ATOM 0 H GLN A 39 -15.334 -0.052 -11.563 1.00 1.00 H new ATOM 0 HA GLN A 39 -13.742 -2.391 -11.213 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -13.030 -0.058 -10.782 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -14.197 0.059 -9.480 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -12.987 -1.596 -8.169 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -11.890 -1.911 -9.499 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -11.418 -0.739 -6.743 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -10.548 0.759 -7.089 1.00 1.00 H new ATOM 579 N ALA A 40 -16.255 -1.921 -9.158 1.00 1.00 N ATOM 580 CA ALA A 40 -17.096 -2.579 -8.189 1.00 1.00 C ATOM 581 C ALA A 40 -17.707 -3.808 -8.788 1.00 1.00 C ATOM 582 O ALA A 40 -17.774 -4.840 -8.144 1.00 1.00 O ATOM 583 CB ALA A 40 -18.148 -1.647 -7.626 1.00 1.00 C ATOM 0 H ALA A 40 -16.581 -0.996 -9.438 1.00 1.00 H new ATOM 0 HA ALA A 40 -16.472 -2.881 -7.348 1.00 1.00 H new ATOM 0 HB1 ALA A 40 -18.759 -2.184 -6.900 1.00 1.00 H new ATOM 0 HB2 ALA A 40 -17.662 -0.803 -7.137 1.00 1.00 H new ATOM 0 HB3 ALA A 40 -18.782 -1.283 -8.435 1.00 1.00 H new ATOM 589 N LYS A 41 -18.088 -3.714 -10.053 1.00 1.00 N ATOM 590 CA LYS A 41 -18.627 -4.844 -10.782 1.00 1.00 C ATOM 591 C LYS A 41 -17.633 -5.990 -10.733 1.00 1.00 C ATOM 592 O LYS A 41 -18.018 -7.140 -10.509 1.00 1.00 O ATOM 593 CB LYS A 41 -18.914 -4.444 -12.250 1.00 1.00 C ATOM 594 CG LYS A 41 -19.285 -5.592 -13.208 1.00 1.00 C ATOM 595 CD LYS A 41 -20.743 -6.057 -13.090 1.00 1.00 C ATOM 596 CE LYS A 41 -20.951 -7.032 -11.938 1.00 1.00 C ATOM 597 NZ LYS A 41 -21.986 -8.035 -12.249 1.00 1.00 N ATOM 0 H LYS A 41 -18.031 -2.854 -10.598 1.00 1.00 H new ATOM 0 HA LYS A 41 -19.564 -5.159 -10.323 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -19.727 -3.718 -12.254 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -18.033 -3.939 -12.646 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -19.099 -5.271 -14.233 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -18.627 -6.440 -13.015 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -21.388 -5.190 -12.949 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -21.047 -6.531 -14.023 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -20.011 -7.537 -11.715 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -21.237 -6.481 -11.042 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -22.122 -8.659 -11.428 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -22.881 -7.553 -12.470 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -21.686 -8.601 -13.068 1.00 1.00 H new ATOM 611 N GLU A 42 -16.362 -5.658 -10.878 1.00 1.00 N ATOM 612 CA GLU A 42 -15.312 -6.649 -10.900 1.00 1.00 C ATOM 613 C GLU A 42 -15.138 -7.291 -9.556 1.00 1.00 C ATOM 614 O GLU A 42 -15.154 -8.496 -9.439 1.00 1.00 O ATOM 615 CB GLU A 42 -13.998 -6.024 -11.266 1.00 1.00 C ATOM 616 CG GLU A 42 -13.960 -5.386 -12.608 1.00 1.00 C ATOM 617 CD GLU A 42 -12.574 -4.966 -12.936 1.00 1.00 C ATOM 618 OE1 GLU A 42 -11.686 -5.831 -12.954 1.00 1.00 O ATOM 619 OE2 GLU A 42 -12.333 -3.767 -13.160 1.00 1.00 O ATOM 0 H GLU A 42 -16.035 -4.698 -10.983 1.00 1.00 H new ATOM 0 HA GLU A 42 -15.605 -7.395 -11.638 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -13.748 -5.274 -10.516 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -13.223 -6.790 -11.222 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -14.324 -6.084 -13.361 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -14.624 -4.522 -12.627 1.00 1.00 H new ATOM 626 N LYS A 43 -14.989 -6.465 -8.540 1.00 1.00 N ATOM 627 CA LYS A 43 -14.695 -6.940 -7.201 1.00 1.00 C ATOM 628 C LYS A 43 -15.812 -7.801 -6.652 1.00 1.00 C ATOM 629 O LYS A 43 -15.557 -8.849 -6.059 1.00 1.00 O ATOM 630 CB LYS A 43 -14.396 -5.771 -6.260 1.00 1.00 C ATOM 631 CG LYS A 43 -13.176 -4.944 -6.654 1.00 1.00 C ATOM 632 CD LYS A 43 -11.901 -5.783 -6.642 1.00 1.00 C ATOM 633 CE LYS A 43 -10.691 -4.949 -7.035 1.00 1.00 C ATOM 634 NZ LYS A 43 -10.340 -3.960 -5.992 1.00 1.00 N ATOM 0 H LYS A 43 -15.068 -5.451 -8.617 1.00 1.00 H new ATOM 0 HA LYS A 43 -13.804 -7.565 -7.267 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -15.267 -5.117 -6.224 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -14.247 -6.160 -5.253 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -13.326 -4.524 -7.648 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -13.067 -4.105 -5.967 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -11.749 -6.204 -5.648 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -12.007 -6.621 -7.330 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -9.840 -5.606 -7.213 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -10.896 -4.431 -7.972 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -9.427 -3.519 -6.225 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -11.077 -3.228 -5.946 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -10.269 -4.437 -5.071 1.00 1.00 H new ATOM 648 N MET A 44 -17.043 -7.373 -6.876 1.00 1.00 N ATOM 649 CA MET A 44 -18.206 -8.096 -6.389 1.00 1.00 C ATOM 650 C MET A 44 -18.306 -9.457 -7.072 1.00 1.00 C ATOM 651 O MET A 44 -18.608 -10.462 -6.433 1.00 1.00 O ATOM 652 CB MET A 44 -19.500 -7.299 -6.622 1.00 1.00 C ATOM 653 CG MET A 44 -19.488 -5.879 -6.062 1.00 1.00 C ATOM 654 SD MET A 44 -19.005 -5.775 -4.333 1.00 1.00 S ATOM 655 CE MET A 44 -20.342 -6.642 -3.560 1.00 1.00 C ATOM 0 H MET A 44 -17.264 -6.523 -7.395 1.00 1.00 H new ATOM 0 HA MET A 44 -18.083 -8.238 -5.315 1.00 1.00 H new ATOM 0 HB2 MET A 44 -19.692 -7.250 -7.694 1.00 1.00 H new ATOM 0 HB3 MET A 44 -20.331 -7.844 -6.174 1.00 1.00 H new ATOM 0 HG2 MET A 44 -18.805 -5.272 -6.656 1.00 1.00 H new ATOM 0 HG3 MET A 44 -20.482 -5.446 -6.177 1.00 1.00 H new ATOM 0 HE1 MET A 44 -20.761 -6.028 -2.763 1.00 1.00 H new ATOM 0 HE2 MET A 44 -21.115 -6.853 -4.299 1.00 1.00 H new ATOM 0 HE3 MET A 44 -19.974 -7.579 -3.142 1.00 1.00 H new ATOM 665 N LEU A 45 -18.034 -9.490 -8.383 1.00 1.00 N ATOM 666 CA LEU A 45 -18.108 -10.737 -9.125 1.00 1.00 C ATOM 667 C LEU A 45 -16.913 -11.636 -8.850 1.00 1.00 C ATOM 668 O LEU A 45 -17.048 -12.829 -8.844 1.00 1.00 O ATOM 669 CB LEU A 45 -18.352 -10.530 -10.668 1.00 1.00 C ATOM 670 CG LEU A 45 -17.227 -9.894 -11.545 1.00 1.00 C ATOM 671 CD1 LEU A 45 -16.100 -10.875 -11.852 1.00 1.00 C ATOM 672 CD2 LEU A 45 -17.814 -9.366 -12.844 1.00 1.00 C ATOM 0 H LEU A 45 -17.766 -8.677 -8.937 1.00 1.00 H new ATOM 0 HA LEU A 45 -18.992 -11.254 -8.752 1.00 1.00 H new ATOM 0 HB2 LEU A 45 -18.588 -11.505 -11.095 1.00 1.00 H new ATOM 0 HB3 LEU A 45 -19.242 -9.910 -10.778 1.00 1.00 H new ATOM 0 HG LEU A 45 -16.798 -9.074 -10.969 1.00 1.00 H new ATOM 0 HD11 LEU A 45 -15.345 -10.382 -12.464 1.00 1.00 H new ATOM 0 HD12 LEU A 45 -15.647 -11.213 -10.920 1.00 1.00 H new ATOM 0 HD13 LEU A 45 -16.501 -11.733 -12.392 1.00 1.00 H new ATOM 0 HD21 LEU A 45 -17.022 -8.925 -13.448 1.00 1.00 H new ATOM 0 HD22 LEU A 45 -18.276 -10.186 -13.394 1.00 1.00 H new ATOM 0 HD23 LEU A 45 -18.566 -8.609 -12.622 1.00 1.00 H new ATOM 684 N ASP A 46 -15.769 -11.030 -8.562 1.00 1.00 N ATOM 685 CA ASP A 46 -14.464 -11.727 -8.391 1.00 1.00 C ATOM 686 C ASP A 46 -14.535 -12.848 -7.368 1.00 1.00 C ATOM 687 O ASP A 46 -13.847 -13.849 -7.488 1.00 1.00 O ATOM 688 CB ASP A 46 -13.377 -10.711 -7.989 1.00 1.00 C ATOM 689 CG ASP A 46 -12.007 -11.321 -7.737 1.00 1.00 C ATOM 690 OD1 ASP A 46 -11.265 -11.595 -8.711 1.00 1.00 O ATOM 691 OD2 ASP A 46 -11.633 -11.483 -6.558 1.00 1.00 O ATOM 0 H ASP A 46 -15.702 -10.020 -8.435 1.00 1.00 H new ATOM 0 HA ASP A 46 -14.210 -12.182 -9.348 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -13.288 -9.962 -8.776 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -13.700 -10.190 -7.088 1.00 1.00 H new ATOM 696 N GLN A 47 -15.379 -12.681 -6.380 1.00 1.00 N ATOM 697 CA GLN A 47 -15.529 -13.680 -5.335 1.00 1.00 C ATOM 698 C GLN A 47 -16.183 -14.950 -5.894 1.00 1.00 C ATOM 699 O GLN A 47 -15.789 -16.071 -5.563 1.00 1.00 O ATOM 700 CB GLN A 47 -16.382 -13.139 -4.182 1.00 1.00 C ATOM 701 CG GLN A 47 -15.893 -11.830 -3.565 1.00 1.00 C ATOM 702 CD GLN A 47 -14.550 -11.915 -2.850 1.00 1.00 C ATOM 703 OE1 GLN A 47 -13.699 -12.743 -3.167 1.00 1.00 O ATOM 704 NE2 GLN A 47 -14.361 -11.059 -1.872 1.00 1.00 N ATOM 0 H GLN A 47 -15.977 -11.862 -6.272 1.00 1.00 H new ATOM 0 HA GLN A 47 -14.534 -13.920 -4.960 1.00 1.00 H new ATOM 0 HB2 GLN A 47 -17.400 -12.993 -4.543 1.00 1.00 H new ATOM 0 HB3 GLN A 47 -16.427 -13.896 -3.399 1.00 1.00 H new ATOM 0 HG2 GLN A 47 -15.821 -11.080 -4.352 1.00 1.00 H new ATOM 0 HG3 GLN A 47 -16.643 -11.478 -2.857 1.00 1.00 H new ATOM 0 HE21 GLN A 47 -15.090 -10.385 -1.636 1.00 1.00 H new ATOM 0 HE22 GLN A 47 -13.486 -11.068 -1.348 1.00 1.00 H new ATOM 713 N LEU A 48 -17.168 -14.762 -6.760 1.00 1.00 N ATOM 714 CA LEU A 48 -17.961 -15.872 -7.296 1.00 1.00 C ATOM 715 C LEU A 48 -17.419 -16.324 -8.637 1.00 1.00 C ATOM 716 O LEU A 48 -17.309 -17.514 -8.925 1.00 1.00 O ATOM 717 CB LEU A 48 -19.435 -15.449 -7.455 1.00 1.00 C ATOM 718 CG LEU A 48 -20.230 -15.146 -6.167 1.00 1.00 C ATOM 719 CD1 LEU A 48 -19.825 -16.064 -5.021 1.00 1.00 C ATOM 720 CD2 LEU A 48 -20.102 -13.678 -5.773 1.00 1.00 C ATOM 0 H LEU A 48 -17.443 -13.845 -7.112 1.00 1.00 H new ATOM 0 HA LEU A 48 -17.896 -16.702 -6.592 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -19.464 -14.561 -8.086 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -19.956 -16.240 -7.994 1.00 1.00 H new ATOM 0 HG LEU A 48 -21.280 -15.344 -6.381 1.00 1.00 H new ATOM 0 HD11 LEU A 48 -20.408 -15.817 -4.134 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -20.012 -17.101 -5.302 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -18.765 -15.932 -4.806 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -20.672 -13.495 -4.862 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -19.053 -13.438 -5.599 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -20.489 -13.051 -6.576 1.00 1.00 H new ATOM 732 N TYR A 49 -17.071 -15.356 -9.429 1.00 1.00 N ATOM 733 CA TYR A 49 -16.584 -15.514 -10.777 1.00 1.00 C ATOM 734 C TYR A 49 -15.071 -15.507 -10.786 1.00 1.00 C ATOM 735 O TYR A 49 -14.449 -15.079 -11.750 1.00 1.00 O ATOM 736 CB TYR A 49 -17.089 -14.361 -11.642 1.00 1.00 C ATOM 737 CG TYR A 49 -18.571 -14.351 -11.935 1.00 1.00 C ATOM 738 CD1 TYR A 49 -19.485 -13.864 -11.010 1.00 1.00 C ATOM 739 CD2 TYR A 49 -19.054 -14.817 -13.149 1.00 1.00 C ATOM 740 CE1 TYR A 49 -20.836 -13.842 -11.284 1.00 1.00 C ATOM 741 CE2 TYR A 49 -20.401 -14.792 -13.433 1.00 1.00 C ATOM 742 CZ TYR A 49 -21.288 -14.307 -12.497 1.00 1.00 C ATOM 743 OH TYR A 49 -22.634 -14.277 -12.782 1.00 1.00 O ATOM 0 H TYR A 49 -17.120 -14.379 -9.142 1.00 1.00 H new ATOM 0 HA TYR A 49 -16.946 -16.463 -11.173 1.00 1.00 H new ATOM 0 HB2 TYR A 49 -16.830 -13.424 -11.150 1.00 1.00 H new ATOM 0 HB3 TYR A 49 -16.552 -14.382 -12.590 1.00 1.00 H new ATOM 0 HD1 TYR A 49 -19.131 -13.496 -10.058 1.00 1.00 H new ATOM 0 HD2 TYR A 49 -18.363 -15.205 -13.883 1.00 1.00 H new ATOM 0 HE1 TYR A 49 -21.534 -13.463 -10.552 1.00 1.00 H new ATOM 0 HE2 TYR A 49 -20.761 -15.151 -14.386 1.00 1.00 H new ATOM 0 HH TYR A 49 -22.787 -14.640 -13.679 1.00 1.00 H new ATOM 753 N LYS A 50 -14.492 -15.943 -9.696 1.00 1.00 N ATOM 754 CA LYS A 50 -13.053 -16.051 -9.567 1.00 1.00 C ATOM 755 C LYS A 50 -12.467 -16.825 -10.749 1.00 1.00 C ATOM 756 O LYS A 50 -12.884 -17.953 -11.035 1.00 1.00 O ATOM 757 CB LYS A 50 -12.720 -16.764 -8.252 1.00 1.00 C ATOM 758 CG LYS A 50 -11.233 -16.929 -7.973 1.00 1.00 C ATOM 759 CD LYS A 50 -10.533 -15.590 -7.769 1.00 1.00 C ATOM 760 CE LYS A 50 -10.985 -14.891 -6.494 1.00 1.00 C ATOM 761 NZ LYS A 50 -10.875 -15.761 -5.304 1.00 1.00 N ATOM 0 H LYS A 50 -15.006 -16.236 -8.865 1.00 1.00 H new ATOM 0 HA LYS A 50 -12.616 -15.053 -9.563 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -13.170 -16.208 -7.430 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -13.185 -17.750 -8.262 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -11.098 -17.547 -7.085 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -10.766 -17.458 -8.803 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -9.455 -15.748 -7.732 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -10.731 -14.945 -8.625 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -10.384 -13.995 -6.342 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -12.019 -14.566 -6.608 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -10.929 -15.180 -4.443 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -11.653 -16.451 -5.305 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -9.966 -16.265 -5.325 1.00 1.00 H new ATOM 775 N GLY A 51 -11.538 -16.208 -11.442 1.00 1.00 N ATOM 776 CA GLY A 51 -10.926 -16.843 -12.576 1.00 1.00 C ATOM 777 C GLY A 51 -11.388 -16.217 -13.866 1.00 1.00 C ATOM 778 O GLY A 51 -11.008 -16.654 -14.958 1.00 1.00 O ATOM 0 H GLY A 51 -11.193 -15.270 -11.238 1.00 1.00 H new ATOM 0 HA2 GLY A 51 -9.842 -16.765 -12.499 1.00 1.00 H new ATOM 0 HA3 GLY A 51 -11.170 -17.905 -12.577 1.00 1.00 H new ATOM 782 N VAL A 52 -12.227 -15.210 -13.748 1.00 1.00 N ATOM 783 CA VAL A 52 -12.691 -14.476 -14.892 1.00 1.00 C ATOM 784 C VAL A 52 -11.731 -13.314 -15.167 1.00 1.00 C ATOM 785 O VAL A 52 -11.499 -12.463 -14.293 1.00 1.00 O ATOM 786 CB VAL A 52 -14.160 -13.959 -14.697 1.00 1.00 C ATOM 787 CG1 VAL A 52 -14.520 -12.888 -15.711 1.00 1.00 C ATOM 788 CG2 VAL A 52 -15.140 -15.112 -14.818 1.00 1.00 C ATOM 0 H VAL A 52 -12.602 -14.883 -12.858 1.00 1.00 H new ATOM 0 HA VAL A 52 -12.707 -15.145 -15.752 1.00 1.00 H new ATOM 0 HB VAL A 52 -14.221 -13.521 -13.701 1.00 1.00 H new ATOM 0 HG11 VAL A 52 -15.545 -12.557 -15.542 1.00 1.00 H new ATOM 0 HG12 VAL A 52 -13.842 -12.041 -15.602 1.00 1.00 H new ATOM 0 HG13 VAL A 52 -14.432 -13.296 -16.718 1.00 1.00 H new ATOM 0 HG21 VAL A 52 -16.156 -14.742 -14.681 1.00 1.00 H new ATOM 0 HG22 VAL A 52 -15.049 -15.565 -15.805 1.00 1.00 H new ATOM 0 HG23 VAL A 52 -14.920 -15.858 -14.055 1.00 1.00 H new ATOM 798 N PRO A 53 -11.138 -13.283 -16.367 1.00 1.00 N ATOM 799 CA PRO A 53 -10.204 -12.227 -16.781 1.00 1.00 C ATOM 800 C PRO A 53 -10.906 -10.871 -16.916 1.00 1.00 C ATOM 801 O PRO A 53 -12.146 -10.801 -16.932 1.00 1.00 O ATOM 802 CB PRO A 53 -9.700 -12.722 -18.136 1.00 1.00 C ATOM 803 CG PRO A 53 -10.786 -13.581 -18.632 1.00 1.00 C ATOM 804 CD PRO A 53 -11.319 -14.285 -17.435 1.00 1.00 C ATOM 0 HA PRO A 53 -9.406 -12.062 -16.057 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -9.506 -11.893 -18.816 1.00 1.00 H new ATOM 0 HB3 PRO A 53 -8.767 -13.277 -18.036 1.00 1.00 H new ATOM 0 HG2 PRO A 53 -11.563 -12.990 -19.117 1.00 1.00 H new ATOM 0 HG3 PRO A 53 -10.417 -14.291 -19.372 1.00 1.00 H new ATOM 0 HD2 PRO A 53 -12.366 -14.561 -17.559 1.00 1.00 H new ATOM 0 HD3 PRO A 53 -10.770 -15.203 -17.227 1.00 1.00 H new ATOM 812 N LEU A 54 -10.125 -9.814 -17.037 1.00 1.00 N ATOM 813 CA LEU A 54 -10.644 -8.447 -17.027 1.00 1.00 C ATOM 814 C LEU A 54 -11.622 -8.184 -18.173 1.00 1.00 C ATOM 815 O LEU A 54 -12.677 -7.595 -17.961 1.00 1.00 O ATOM 816 CB LEU A 54 -9.498 -7.426 -17.090 1.00 1.00 C ATOM 817 CG LEU A 54 -8.526 -7.400 -15.904 1.00 1.00 C ATOM 818 CD1 LEU A 54 -7.446 -6.357 -16.125 1.00 1.00 C ATOM 819 CD2 LEU A 54 -9.257 -7.145 -14.599 1.00 1.00 C ATOM 0 H LEU A 54 -9.112 -9.872 -17.145 1.00 1.00 H new ATOM 0 HA LEU A 54 -11.187 -8.331 -16.089 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -8.923 -7.617 -17.996 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -9.934 -6.432 -17.193 1.00 1.00 H new ATOM 0 HG LEU A 54 -8.054 -8.380 -15.835 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -6.765 -6.352 -15.274 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -6.891 -6.595 -17.032 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -7.905 -5.374 -16.228 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -8.541 -7.132 -13.777 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -9.768 -6.183 -14.650 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -9.988 -7.936 -14.431 1.00 1.00 H new ATOM 831 N THR A 55 -11.299 -8.658 -19.356 1.00 1.00 N ATOM 832 CA THR A 55 -12.128 -8.428 -20.529 1.00 1.00 C ATOM 833 C THR A 55 -13.445 -9.227 -20.455 1.00 1.00 C ATOM 834 O THR A 55 -14.433 -8.887 -21.104 1.00 1.00 O ATOM 835 CB THR A 55 -11.361 -8.753 -21.848 1.00 1.00 C ATOM 836 OG1 THR A 55 -12.135 -8.355 -22.993 1.00 1.00 O ATOM 837 CG2 THR A 55 -11.051 -10.241 -21.955 1.00 1.00 C ATOM 0 H THR A 55 -10.461 -9.211 -19.536 1.00 1.00 H new ATOM 0 HA THR A 55 -12.377 -7.367 -20.540 1.00 1.00 H new ATOM 0 HB THR A 55 -10.424 -8.196 -21.824 1.00 1.00 H new ATOM 0 HG1 THR A 55 -11.639 -8.564 -23.812 1.00 1.00 H new ATOM 0 HG21 THR A 55 -10.516 -10.435 -22.885 1.00 1.00 H new ATOM 0 HG22 THR A 55 -10.433 -10.546 -21.110 1.00 1.00 H new ATOM 0 HG23 THR A 55 -11.982 -10.808 -21.946 1.00 1.00 H new ATOM 845 N GLN A 56 -13.465 -10.269 -19.640 1.00 1.00 N ATOM 846 CA GLN A 56 -14.653 -11.096 -19.537 1.00 1.00 C ATOM 847 C GLN A 56 -15.604 -10.581 -18.480 1.00 1.00 C ATOM 848 O GLN A 56 -16.710 -11.104 -18.314 1.00 1.00 O ATOM 849 CB GLN A 56 -14.301 -12.560 -19.319 1.00 1.00 C ATOM 850 CG GLN A 56 -13.673 -13.209 -20.546 1.00 1.00 C ATOM 851 CD GLN A 56 -14.601 -13.225 -21.754 1.00 1.00 C ATOM 852 OE1 GLN A 56 -15.878 -13.442 -21.527 1.00 1.00 O flip ATOM 853 NE2 GLN A 56 -14.158 -13.069 -22.891 1.00 1.00 N flip ATOM 0 H GLN A 56 -12.685 -10.558 -19.049 1.00 1.00 H new ATOM 0 HA GLN A 56 -15.174 -11.032 -20.492 1.00 1.00 H new ATOM 0 HB2 GLN A 56 -13.612 -12.641 -18.479 1.00 1.00 H new ATOM 0 HB3 GLN A 56 -15.203 -13.108 -19.046 1.00 1.00 H new ATOM 0 HG2 GLN A 56 -12.759 -12.675 -20.805 1.00 1.00 H new ATOM 0 HG3 GLN A 56 -13.386 -14.232 -20.302 1.00 1.00 H new ATOM 0 HE21 GLN A 56 -13.162 -12.902 -23.032 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -14.787 -13.106 -23.693 1.00 1.00 H new ATOM 862 N ARG A 57 -15.160 -9.585 -17.746 1.00 1.00 N ATOM 863 CA ARG A 57 -16.007 -8.913 -16.795 1.00 1.00 C ATOM 864 C ARG A 57 -16.846 -7.876 -17.541 1.00 1.00 C ATOM 865 O ARG A 57 -16.293 -6.949 -18.153 1.00 1.00 O ATOM 866 CB ARG A 57 -15.148 -8.276 -15.706 1.00 1.00 C ATOM 867 CG ARG A 57 -14.307 -9.307 -14.993 1.00 1.00 C ATOM 868 CD ARG A 57 -13.205 -8.705 -14.165 1.00 1.00 C ATOM 869 NE ARG A 57 -12.358 -9.760 -13.597 1.00 1.00 N ATOM 870 CZ ARG A 57 -11.563 -9.606 -12.519 1.00 1.00 C ATOM 871 NH1 ARG A 57 -11.301 -8.385 -12.024 1.00 1.00 N ATOM 872 NH2 ARG A 57 -10.983 -10.669 -11.976 1.00 1.00 N ATOM 0 H ARG A 57 -14.208 -9.222 -17.793 1.00 1.00 H new ATOM 0 HA ARG A 57 -16.681 -9.617 -16.308 1.00 1.00 H new ATOM 0 HB2 ARG A 57 -14.500 -7.519 -16.148 1.00 1.00 H new ATOM 0 HB3 ARG A 57 -15.789 -7.767 -14.986 1.00 1.00 H new ATOM 0 HG2 ARG A 57 -14.949 -9.908 -14.349 1.00 1.00 H new ATOM 0 HG3 ARG A 57 -13.872 -9.983 -15.729 1.00 1.00 H new ATOM 0 HD2 ARG A 57 -12.602 -8.038 -14.781 1.00 1.00 H new ATOM 0 HD3 ARG A 57 -13.632 -8.101 -13.364 1.00 1.00 H new ATOM 0 HE ARG A 57 -12.372 -10.674 -14.049 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -11.705 -7.559 -12.464 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -10.698 -8.284 -11.208 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -11.140 -11.595 -12.374 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -10.380 -10.560 -11.160 1.00 1.00 H new ATOM 886 N PRO A 58 -18.182 -8.040 -17.538 1.00 1.00 N ATOM 887 CA PRO A 58 -19.087 -7.175 -18.292 1.00 1.00 C ATOM 888 C PRO A 58 -19.104 -5.739 -17.792 1.00 1.00 C ATOM 889 O PRO A 58 -19.016 -5.477 -16.583 1.00 1.00 O ATOM 890 CB PRO A 58 -20.461 -7.833 -18.109 1.00 1.00 C ATOM 891 CG PRO A 58 -20.344 -8.587 -16.836 1.00 1.00 C ATOM 892 CD PRO A 58 -18.919 -9.067 -16.777 1.00 1.00 C ATOM 0 HA PRO A 58 -18.776 -7.092 -19.334 1.00 1.00 H new ATOM 0 HB2 PRO A 58 -21.255 -7.088 -18.058 1.00 1.00 H new ATOM 0 HB3 PRO A 58 -20.699 -8.495 -18.942 1.00 1.00 H new ATOM 0 HG2 PRO A 58 -20.579 -7.952 -15.982 1.00 1.00 H new ATOM 0 HG3 PRO A 58 -21.041 -9.425 -16.812 1.00 1.00 H new ATOM 0 HD2 PRO A 58 -18.562 -9.140 -15.750 1.00 1.00 H new ATOM 0 HD3 PRO A 58 -18.809 -10.055 -17.224 1.00 1.00 H new ATOM 900 N ASP A 59 -19.228 -4.823 -18.718 1.00 1.00 N ATOM 901 CA ASP A 59 -19.266 -3.412 -18.399 1.00 1.00 C ATOM 902 C ASP A 59 -20.639 -3.060 -17.870 1.00 1.00 C ATOM 903 O ASP A 59 -21.649 -3.445 -18.465 1.00 1.00 O ATOM 904 CB ASP A 59 -18.986 -2.551 -19.645 1.00 1.00 C ATOM 905 CG ASP A 59 -17.630 -2.789 -20.278 1.00 1.00 C ATOM 906 OD1 ASP A 59 -16.657 -2.110 -19.903 1.00 1.00 O ATOM 907 OD2 ASP A 59 -17.530 -3.650 -21.191 1.00 1.00 O ATOM 0 H ASP A 59 -19.306 -5.030 -19.714 1.00 1.00 H new ATOM 0 HA ASP A 59 -18.498 -3.211 -17.652 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -19.760 -2.746 -20.388 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -19.066 -1.499 -19.370 1.00 1.00 H new ATOM 912 N PRO A 60 -20.716 -2.279 -16.781 1.00 1.00 N ATOM 913 CA PRO A 60 -22.000 -1.896 -16.141 1.00 1.00 C ATOM 914 C PRO A 60 -22.813 -0.901 -16.979 1.00 1.00 C ATOM 915 O PRO A 60 -23.767 -0.298 -16.506 1.00 1.00 O ATOM 916 CB PRO A 60 -21.561 -1.250 -14.835 1.00 1.00 C ATOM 917 CG PRO A 60 -20.195 -0.735 -15.109 1.00 1.00 C ATOM 918 CD PRO A 60 -19.560 -1.703 -16.064 1.00 1.00 C ATOM 0 HA PRO A 60 -22.658 -2.756 -16.015 1.00 1.00 H new ATOM 0 HB2 PRO A 60 -22.237 -0.445 -14.545 1.00 1.00 H new ATOM 0 HB3 PRO A 60 -21.556 -1.972 -14.018 1.00 1.00 H new ATOM 0 HG2 PRO A 60 -20.236 0.265 -15.540 1.00 1.00 H new ATOM 0 HG3 PRO A 60 -19.616 -0.661 -14.188 1.00 1.00 H new ATOM 0 HD2 PRO A 60 -18.872 -1.203 -16.746 1.00 1.00 H new ATOM 0 HD3 PRO A 60 -18.989 -2.469 -15.540 1.00 1.00 H new ATOM 926 N ARG A 61 -22.409 -0.732 -18.202 1.00 1.00 N ATOM 927 CA ARG A 61 -23.091 0.117 -19.129 1.00 1.00 C ATOM 928 C ARG A 61 -24.092 -0.702 -19.953 1.00 1.00 C ATOM 929 O ARG A 61 -24.950 -0.146 -20.629 1.00 1.00 O ATOM 930 CB ARG A 61 -22.071 0.835 -20.017 1.00 1.00 C ATOM 931 CG ARG A 61 -21.280 -0.084 -20.929 1.00 1.00 C ATOM 932 CD ARG A 61 -20.051 0.610 -21.477 1.00 1.00 C ATOM 933 NE ARG A 61 -20.362 1.798 -22.259 1.00 1.00 N ATOM 934 CZ ARG A 61 -20.208 1.928 -23.572 1.00 1.00 C ATOM 935 NH1 ARG A 61 -19.757 0.915 -24.307 1.00 1.00 N ATOM 936 NH2 ARG A 61 -20.507 3.082 -24.141 1.00 1.00 N ATOM 0 H ARG A 61 -21.583 -1.188 -18.589 1.00 1.00 H new ATOM 0 HA ARG A 61 -23.656 0.876 -18.588 1.00 1.00 H new ATOM 0 HB2 ARG A 61 -22.593 1.572 -20.627 1.00 1.00 H new ATOM 0 HB3 ARG A 61 -21.376 1.383 -19.381 1.00 1.00 H new ATOM 0 HG2 ARG A 61 -20.982 -0.977 -20.379 1.00 1.00 H new ATOM 0 HG3 ARG A 61 -21.912 -0.414 -21.753 1.00 1.00 H new ATOM 0 HD2 ARG A 61 -19.400 0.889 -20.649 1.00 1.00 H new ATOM 0 HD3 ARG A 61 -19.494 -0.090 -22.099 1.00 1.00 H new ATOM 0 HE ARG A 61 -20.731 2.603 -21.753 1.00 1.00 H new ATOM 0 HH11 ARG A 61 -19.525 0.026 -23.863 1.00 1.00 H new ATOM 0 HH12 ARG A 61 -19.643 1.027 -25.314 1.00 1.00 H new ATOM 0 HH21 ARG A 61 -20.850 3.857 -23.573 1.00 1.00 H new ATOM 0 HH22 ARG A 61 -20.394 3.198 -25.148 1.00 1.00 H new ATOM 950 N THR A 62 -23.973 -2.033 -19.889 1.00 1.00 N ATOM 951 CA THR A 62 -24.880 -2.904 -20.622 1.00 1.00 C ATOM 952 C THR A 62 -25.703 -3.793 -19.682 1.00 1.00 C ATOM 953 O THR A 62 -26.546 -4.574 -20.129 1.00 1.00 O ATOM 954 CB THR A 62 -24.145 -3.758 -21.696 1.00 1.00 C ATOM 955 OG1 THR A 62 -25.088 -4.530 -22.457 1.00 1.00 O ATOM 956 CG2 THR A 62 -23.109 -4.683 -21.074 1.00 1.00 C ATOM 0 H THR A 62 -23.264 -2.520 -19.342 1.00 1.00 H new ATOM 0 HA THR A 62 -25.572 -2.248 -21.150 1.00 1.00 H new ATOM 0 HB THR A 62 -23.625 -3.065 -22.357 1.00 1.00 H new ATOM 0 HG1 THR A 62 -25.858 -4.754 -21.893 1.00 1.00 H new ATOM 0 HG21 THR A 62 -22.620 -5.261 -21.858 1.00 1.00 H new ATOM 0 HG22 THR A 62 -22.365 -4.090 -20.542 1.00 1.00 H new ATOM 0 HG23 THR A 62 -23.599 -5.361 -20.376 1.00 1.00 H new ATOM 964 N LEU A 63 -25.438 -3.690 -18.407 1.00 1.00 N ATOM 965 CA LEU A 63 -26.209 -4.370 -17.393 1.00 1.00 C ATOM 966 C LEU A 63 -26.324 -3.445 -16.206 1.00 1.00 C ATOM 967 O LEU A 63 -25.442 -2.616 -15.998 1.00 1.00 O ATOM 968 CB LEU A 63 -25.686 -5.831 -17.061 1.00 1.00 C ATOM 969 CG LEU A 63 -24.492 -6.057 -16.087 1.00 1.00 C ATOM 970 CD1 LEU A 63 -23.267 -5.287 -16.492 1.00 1.00 C ATOM 971 CD2 LEU A 63 -24.862 -5.805 -14.627 1.00 1.00 C ATOM 0 H LEU A 63 -24.673 -3.126 -18.036 1.00 1.00 H new ATOM 0 HA LEU A 63 -27.212 -4.578 -17.767 1.00 1.00 H new ATOM 0 HB2 LEU A 63 -26.533 -6.389 -16.662 1.00 1.00 H new ATOM 0 HB3 LEU A 63 -25.416 -6.296 -18.009 1.00 1.00 H new ATOM 0 HG LEU A 63 -24.243 -7.115 -16.166 1.00 1.00 H new ATOM 0 HD11 LEU A 63 -22.464 -5.480 -15.780 1.00 1.00 H new ATOM 0 HD12 LEU A 63 -22.952 -5.601 -17.487 1.00 1.00 H new ATOM 0 HD13 LEU A 63 -23.494 -4.221 -16.503 1.00 1.00 H new ATOM 0 HD21 LEU A 63 -23.990 -5.978 -13.996 1.00 1.00 H new ATOM 0 HD22 LEU A 63 -25.196 -4.774 -14.509 1.00 1.00 H new ATOM 0 HD23 LEU A 63 -25.664 -6.482 -14.333 1.00 1.00 H new ATOM 983 N ASP A 64 -27.369 -3.563 -15.444 1.00 1.00 N ATOM 984 CA ASP A 64 -27.618 -2.592 -14.402 1.00 1.00 C ATOM 985 C ASP A 64 -27.265 -3.135 -13.076 1.00 1.00 C ATOM 986 O ASP A 64 -27.524 -4.315 -12.780 1.00 1.00 O ATOM 987 CB ASP A 64 -29.097 -2.191 -14.322 1.00 1.00 C ATOM 988 CG ASP A 64 -29.722 -1.853 -15.625 1.00 1.00 C ATOM 989 OD1 ASP A 64 -29.205 -0.961 -16.332 1.00 1.00 O ATOM 990 OD2 ASP A 64 -30.749 -2.500 -15.965 1.00 1.00 O ATOM 0 H ASP A 64 -28.060 -4.310 -15.516 1.00 1.00 H new ATOM 0 HA ASP A 64 -27.005 -1.728 -14.657 1.00 1.00 H new ATOM 0 HB2 ASP A 64 -29.657 -3.009 -13.868 1.00 1.00 H new ATOM 0 HB3 ASP A 64 -29.191 -1.333 -13.657 1.00 1.00 H new ATOM 995 N VAL A 65 -26.671 -2.312 -12.277 1.00 1.00 N ATOM 996 CA VAL A 65 -26.507 -2.634 -10.922 1.00 1.00 C ATOM 997 C VAL A 65 -27.467 -1.754 -10.149 1.00 1.00 C ATOM 998 O VAL A 65 -27.373 -0.513 -10.170 1.00 1.00 O ATOM 999 CB VAL A 65 -25.018 -2.517 -10.396 1.00 1.00 C ATOM 1000 CG1 VAL A 65 -24.454 -1.112 -10.524 1.00 1.00 C ATOM 1001 CG2 VAL A 65 -24.908 -3.004 -8.952 1.00 1.00 C ATOM 0 H VAL A 65 -26.292 -1.406 -12.554 1.00 1.00 H new ATOM 0 HA VAL A 65 -26.733 -3.690 -10.774 1.00 1.00 H new ATOM 0 HB VAL A 65 -24.416 -3.162 -11.036 1.00 1.00 H new ATOM 0 HG11 VAL A 65 -23.431 -1.095 -10.147 1.00 1.00 H new ATOM 0 HG12 VAL A 65 -24.460 -0.812 -11.572 1.00 1.00 H new ATOM 0 HG13 VAL A 65 -25.066 -0.420 -9.945 1.00 1.00 H new ATOM 0 HG21 VAL A 65 -23.875 -2.913 -8.615 1.00 1.00 H new ATOM 0 HG22 VAL A 65 -25.552 -2.399 -8.314 1.00 1.00 H new ATOM 0 HG23 VAL A 65 -25.218 -4.048 -8.895 1.00 1.00 H new ATOM 1011 N GLU A 66 -28.418 -2.368 -9.524 1.00 1.00 N ATOM 1012 CA GLU A 66 -29.347 -1.648 -8.778 1.00 1.00 C ATOM 1013 C GLU A 66 -28.797 -1.592 -7.420 1.00 1.00 C ATOM 1014 O GLU A 66 -28.660 -2.616 -6.726 1.00 1.00 O ATOM 1015 CB GLU A 66 -30.692 -2.347 -8.788 1.00 1.00 C ATOM 1016 CG GLU A 66 -31.792 -1.581 -8.088 1.00 1.00 C ATOM 1017 CD GLU A 66 -33.094 -2.318 -8.122 1.00 1.00 C ATOM 1018 OE1 GLU A 66 -33.305 -3.190 -7.275 1.00 1.00 O ATOM 1019 OE2 GLU A 66 -33.923 -2.039 -9.008 1.00 1.00 O ATOM 0 H GLU A 66 -28.557 -3.379 -9.528 1.00 1.00 H new ATOM 0 HA GLU A 66 -29.512 -0.650 -9.185 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -30.989 -2.525 -9.822 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -30.586 -3.323 -8.314 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -31.505 -1.399 -7.052 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -31.914 -0.607 -8.561 1.00 1.00 H new ATOM 1026 N TRP A 67 -28.444 -0.439 -7.045 1.00 1.00 N ATOM 1027 CA TRP A 67 -27.846 -0.254 -5.810 1.00 1.00 C ATOM 1028 C TRP A 67 -28.894 -0.090 -4.778 1.00 1.00 C ATOM 1029 O TRP A 67 -29.732 0.776 -4.883 1.00 1.00 O ATOM 1030 CB TRP A 67 -26.960 0.949 -5.840 1.00 1.00 C ATOM 1031 CG TRP A 67 -25.985 0.932 -4.739 1.00 1.00 C ATOM 1032 CD1 TRP A 67 -26.267 1.076 -3.423 1.00 1.00 C ATOM 1033 CD2 TRP A 67 -24.577 0.753 -4.844 1.00 1.00 C ATOM 1034 NE1 TRP A 67 -25.155 0.984 -2.691 1.00 1.00 N ATOM 1035 CE2 TRP A 67 -24.069 0.796 -3.548 1.00 1.00 C ATOM 1036 CE3 TRP A 67 -23.696 0.563 -5.917 1.00 1.00 C ATOM 1037 CZ2 TRP A 67 -22.710 0.655 -3.284 1.00 1.00 C ATOM 1038 CZ3 TRP A 67 -22.352 0.423 -5.654 1.00 1.00 C ATOM 1039 CH2 TRP A 67 -21.872 0.472 -4.349 1.00 1.00 C ATOM 0 H TRP A 67 -28.565 0.411 -7.596 1.00 1.00 H new ATOM 0 HA TRP A 67 -27.236 -1.125 -5.571 1.00 1.00 H new ATOM 0 HB2 TRP A 67 -26.433 0.989 -6.793 1.00 1.00 H new ATOM 0 HB3 TRP A 67 -27.568 1.851 -5.774 1.00 1.00 H new ATOM 0 HD1 TRP A 67 -27.255 1.242 -3.021 1.00 1.00 H new ATOM 0 HE1 TRP A 67 -25.106 1.042 -1.674 1.00 1.00 H new ATOM 0 HE3 TRP A 67 -24.065 0.527 -6.932 1.00 1.00 H new ATOM 0 HZ2 TRP A 67 -22.330 0.689 -2.273 1.00 1.00 H new ATOM 0 HZ3 TRP A 67 -21.662 0.273 -6.471 1.00 1.00 H new ATOM 0 HH2 TRP A 67 -20.812 0.363 -4.173 1.00 1.00 H new ATOM 1050 N ARG A 68 -28.840 -0.901 -3.794 1.00 1.00 N ATOM 1051 CA ARG A 68 -29.759 -0.846 -2.744 1.00 1.00 C ATOM 1052 C ARG A 68 -29.001 -0.384 -1.519 1.00 1.00 C ATOM 1053 O ARG A 68 -28.432 -1.171 -0.766 1.00 1.00 O ATOM 1054 CB ARG A 68 -30.424 -2.226 -2.570 1.00 1.00 C ATOM 1055 CG ARG A 68 -31.229 -2.645 -3.814 1.00 1.00 C ATOM 1056 CD ARG A 68 -31.832 -4.035 -3.702 1.00 1.00 C ATOM 1057 NE ARG A 68 -32.572 -4.398 -4.931 1.00 1.00 N ATOM 1058 CZ ARG A 68 -33.307 -5.509 -5.105 1.00 1.00 C ATOM 1059 NH1 ARG A 68 -33.352 -6.454 -4.168 1.00 1.00 N ATOM 1060 NH2 ARG A 68 -33.992 -5.659 -6.230 1.00 1.00 N ATOM 0 H ARG A 68 -28.138 -1.635 -3.700 1.00 1.00 H new ATOM 0 HA ARG A 68 -30.571 -0.144 -2.934 1.00 1.00 H new ATOM 0 HB2 ARG A 68 -29.657 -2.974 -2.367 1.00 1.00 H new ATOM 0 HB3 ARG A 68 -31.084 -2.202 -1.703 1.00 1.00 H new ATOM 0 HG2 ARG A 68 -32.028 -1.923 -3.981 1.00 1.00 H new ATOM 0 HG3 ARG A 68 -30.579 -2.608 -4.688 1.00 1.00 H new ATOM 0 HD2 ARG A 68 -31.042 -4.764 -3.522 1.00 1.00 H new ATOM 0 HD3 ARG A 68 -32.504 -4.075 -2.845 1.00 1.00 H new ATOM 0 HE ARG A 68 -32.519 -3.748 -5.715 1.00 1.00 H new ATOM 0 HH11 ARG A 68 -32.824 -6.340 -3.303 1.00 1.00 H new ATOM 0 HH12 ARG A 68 -33.915 -7.292 -4.315 1.00 1.00 H new ATOM 0 HH21 ARG A 68 -33.956 -4.936 -6.949 1.00 1.00 H new ATOM 0 HH22 ARG A 68 -34.555 -6.497 -6.377 1.00 1.00 H new ATOM 1074 N SER A 69 -28.966 0.918 -1.371 1.00 1.00 N ATOM 1075 CA SER A 69 -28.266 1.584 -0.294 1.00 1.00 C ATOM 1076 C SER A 69 -28.946 1.299 1.010 1.00 1.00 C ATOM 1077 O SER A 69 -28.323 1.267 2.068 1.00 1.00 O ATOM 1078 CB SER A 69 -28.256 3.090 -0.551 1.00 1.00 C ATOM 1079 OG SER A 69 -29.591 3.591 -0.723 1.00 1.00 O ATOM 0 H SER A 69 -29.434 1.561 -2.010 1.00 1.00 H new ATOM 0 HA SER A 69 -27.241 1.215 -0.248 1.00 1.00 H new ATOM 0 HB2 SER A 69 -27.776 3.602 0.283 1.00 1.00 H new ATOM 0 HB3 SER A 69 -27.665 3.307 -1.441 1.00 1.00 H new ATOM 0 HG SER A 69 -29.681 3.983 -1.617 1.00 1.00 H new ATOM 1085 N GLY A 70 -30.235 1.134 0.919 1.00 1.00 N ATOM 1086 CA GLY A 70 -31.046 0.880 2.084 1.00 1.00 C ATOM 1087 C GLY A 70 -31.455 2.168 2.761 1.00 1.00 C ATOM 1088 O GLY A 70 -32.629 2.388 3.034 1.00 1.00 O ATOM 0 H GLY A 70 -30.755 1.171 0.042 1.00 1.00 H new ATOM 0 HA2 GLY A 70 -31.936 0.320 1.795 1.00 1.00 H new ATOM 0 HA3 GLY A 70 -30.492 0.258 2.787 1.00 1.00 H new ATOM 1092 N VAL A 71 -30.478 3.019 3.016 1.00 1.00 N ATOM 1093 CA VAL A 71 -30.702 4.315 3.636 1.00 1.00 C ATOM 1094 C VAL A 71 -31.512 5.250 2.730 1.00 1.00 C ATOM 1095 O VAL A 71 -32.382 5.990 3.204 1.00 1.00 O ATOM 1096 CB VAL A 71 -29.378 4.998 4.081 1.00 1.00 C ATOM 1097 CG1 VAL A 71 -28.770 4.260 5.260 1.00 1.00 C ATOM 1098 CG2 VAL A 71 -28.379 5.065 2.937 1.00 1.00 C ATOM 0 H VAL A 71 -29.500 2.830 2.798 1.00 1.00 H new ATOM 0 HA VAL A 71 -31.288 4.121 4.534 1.00 1.00 H new ATOM 0 HB VAL A 71 -29.616 6.018 4.384 1.00 1.00 H new ATOM 0 HG11 VAL A 71 -27.844 4.751 5.559 1.00 1.00 H new ATOM 0 HG12 VAL A 71 -29.471 4.268 6.095 1.00 1.00 H new ATOM 0 HG13 VAL A 71 -28.558 3.230 4.974 1.00 1.00 H new ATOM 0 HG21 VAL A 71 -27.464 5.548 3.281 1.00 1.00 H new ATOM 0 HG22 VAL A 71 -28.150 4.056 2.594 1.00 1.00 H new ATOM 0 HG23 VAL A 71 -28.806 5.639 2.115 1.00 1.00 H new ATOM 1108 N ALA A 72 -31.226 5.224 1.440 1.00 1.00 N ATOM 1109 CA ALA A 72 -31.957 6.041 0.492 1.00 1.00 C ATOM 1110 C ALA A 72 -32.952 5.186 -0.275 1.00 1.00 C ATOM 1111 O ALA A 72 -34.016 5.662 -0.696 1.00 1.00 O ATOM 1112 CB ALA A 72 -30.993 6.743 -0.464 1.00 1.00 C ATOM 0 H ALA A 72 -30.494 4.646 1.027 1.00 1.00 H new ATOM 0 HA ALA A 72 -32.508 6.806 1.038 1.00 1.00 H new ATOM 0 HB1 ALA A 72 -31.559 7.352 -1.169 1.00 1.00 H new ATOM 0 HB2 ALA A 72 -30.316 7.381 0.105 1.00 1.00 H new ATOM 0 HB3 ALA A 72 -30.415 5.998 -1.011 1.00 1.00 H new ATOM 1118 N GLY A 73 -32.615 3.929 -0.441 1.00 1.00 N ATOM 1119 CA GLY A 73 -33.466 3.015 -1.156 1.00 1.00 C ATOM 1120 C GLY A 73 -32.691 2.264 -2.198 1.00 1.00 C ATOM 1121 O GLY A 73 -31.718 1.585 -1.876 1.00 1.00 O ATOM 0 H GLY A 73 -31.752 3.516 -0.087 1.00 1.00 H new ATOM 0 HA2 GLY A 73 -33.919 2.312 -0.457 1.00 1.00 H new ATOM 0 HA3 GLY A 73 -34.280 3.564 -1.629 1.00 1.00 H new ATOM 1125 N HIS A 74 -33.098 2.396 -3.436 1.00 1.00 N ATOM 1126 CA HIS A 74 -32.421 1.747 -4.533 1.00 1.00 C ATOM 1127 C HIS A 74 -32.265 2.698 -5.705 1.00 1.00 C ATOM 1128 O HIS A 74 -33.188 3.449 -6.032 1.00 1.00 O ATOM 1129 CB HIS A 74 -33.097 0.398 -4.956 1.00 1.00 C ATOM 1130 CG HIS A 74 -34.509 0.478 -5.525 1.00 1.00 C ATOM 1131 ND1 HIS A 74 -35.616 0.076 -4.831 1.00 1.00 N ATOM 1132 CD2 HIS A 74 -34.967 0.883 -6.736 1.00 1.00 C ATOM 1133 CE1 HIS A 74 -36.687 0.230 -5.575 1.00 1.00 C ATOM 1134 NE2 HIS A 74 -36.323 0.718 -6.733 1.00 1.00 N ATOM 0 H HIS A 74 -33.906 2.955 -3.712 1.00 1.00 H new ATOM 0 HA HIS A 74 -31.425 1.478 -4.181 1.00 1.00 H new ATOM 0 HB2 HIS A 74 -32.460 -0.082 -5.699 1.00 1.00 H new ATOM 0 HB3 HIS A 74 -33.120 -0.257 -4.085 1.00 1.00 H new ATOM 0 HD2 HIS A 74 -34.370 1.265 -7.551 1.00 1.00 H new ATOM 0 HE1 HIS A 74 -37.699 -0.007 -5.280 1.00 1.00 H new ATOM 0 HE2 HIS A 74 -36.949 0.939 -7.507 1.00 1.00 H new ATOM 1143 N LEU A 75 -31.100 2.691 -6.305 1.00 1.00 N ATOM 1144 CA LEU A 75 -30.804 3.556 -7.422 1.00 1.00 C ATOM 1145 C LEU A 75 -30.107 2.750 -8.491 1.00 1.00 C ATOM 1146 O LEU A 75 -29.357 1.834 -8.179 1.00 1.00 O ATOM 1147 CB LEU A 75 -29.886 4.691 -6.977 1.00 1.00 C ATOM 1148 CG LEU A 75 -29.677 5.822 -7.991 1.00 1.00 C ATOM 1149 CD1 LEU A 75 -31.005 6.482 -8.326 1.00 1.00 C ATOM 1150 CD2 LEU A 75 -28.695 6.848 -7.453 1.00 1.00 C ATOM 0 H LEU A 75 -30.327 2.083 -6.032 1.00 1.00 H new ATOM 0 HA LEU A 75 -31.732 3.977 -7.808 1.00 1.00 H new ATOM 0 HB2 LEU A 75 -30.291 5.121 -6.061 1.00 1.00 H new ATOM 0 HB3 LEU A 75 -28.913 4.268 -6.728 1.00 1.00 H new ATOM 0 HG LEU A 75 -29.260 5.395 -8.903 1.00 1.00 H new ATOM 0 HD11 LEU A 75 -30.842 7.283 -9.047 1.00 1.00 H new ATOM 0 HD12 LEU A 75 -31.682 5.742 -8.753 1.00 1.00 H new ATOM 0 HD13 LEU A 75 -31.445 6.895 -7.418 1.00 1.00 H new ATOM 0 HD21 LEU A 75 -28.560 7.642 -8.187 1.00 1.00 H new ATOM 0 HD22 LEU A 75 -29.083 7.272 -6.527 1.00 1.00 H new ATOM 0 HD23 LEU A 75 -27.736 6.367 -7.259 1.00 1.00 H new ATOM 1162 N ILE A 76 -30.356 3.056 -9.730 1.00 1.00 N ATOM 1163 CA ILE A 76 -29.676 2.371 -10.804 1.00 1.00 C ATOM 1164 C ILE A 76 -28.332 3.014 -11.033 1.00 1.00 C ATOM 1165 O ILE A 76 -28.247 4.209 -11.367 1.00 1.00 O ATOM 1166 CB ILE A 76 -30.496 2.420 -12.116 1.00 1.00 C ATOM 1167 CG1 ILE A 76 -31.919 1.939 -11.856 1.00 1.00 C ATOM 1168 CG2 ILE A 76 -29.833 1.588 -13.216 1.00 1.00 C ATOM 1169 CD1 ILE A 76 -31.974 0.590 -11.184 1.00 1.00 C ATOM 0 H ILE A 76 -31.020 3.771 -10.027 1.00 1.00 H new ATOM 0 HA ILE A 76 -29.554 1.326 -10.518 1.00 1.00 H new ATOM 0 HB ILE A 76 -30.530 3.453 -12.463 1.00 1.00 H new ATOM 0 HG12 ILE A 76 -32.435 2.670 -11.233 1.00 1.00 H new ATOM 0 HG13 ILE A 76 -32.458 1.889 -12.802 1.00 1.00 H new ATOM 0 HG21 ILE A 76 -30.433 1.642 -14.125 1.00 1.00 H new ATOM 0 HG22 ILE A 76 -28.835 1.978 -13.416 1.00 1.00 H new ATOM 0 HG23 ILE A 76 -29.758 0.550 -12.892 1.00 1.00 H new ATOM 0 HD11 ILE A 76 -33.014 0.304 -11.027 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -31.485 -0.152 -11.816 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -31.462 0.641 -10.223 1.00 1.00 H new ATOM 1181 N LEU A 77 -27.295 2.254 -10.830 1.00 1.00 N ATOM 1182 CA LEU A 77 -25.974 2.727 -11.034 1.00 1.00 C ATOM 1183 C LEU A 77 -25.345 2.061 -12.234 1.00 1.00 C ATOM 1184 O LEU A 77 -25.699 0.936 -12.603 1.00 1.00 O ATOM 1185 CB LEU A 77 -25.102 2.546 -9.794 1.00 1.00 C ATOM 1186 CG LEU A 77 -25.144 3.666 -8.733 1.00 1.00 C ATOM 1187 CD1 LEU A 77 -26.535 3.875 -8.194 1.00 1.00 C ATOM 1188 CD2 LEU A 77 -24.242 3.305 -7.616 1.00 1.00 C ATOM 0 H LEU A 77 -27.352 1.285 -10.517 1.00 1.00 H new ATOM 0 HA LEU A 77 -26.041 3.798 -11.227 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -25.391 1.612 -9.311 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -24.069 2.429 -10.122 1.00 1.00 H new ATOM 0 HG LEU A 77 -24.824 4.594 -9.207 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -26.521 4.672 -7.450 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -27.203 4.152 -9.009 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -26.888 2.953 -7.732 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -24.265 4.091 -6.861 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -24.571 2.365 -7.172 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -23.225 3.192 -7.991 1.00 1.00 H new ATOM 1200 N SER A 78 -24.457 2.765 -12.849 1.00 1.00 N ATOM 1201 CA SER A 78 -23.747 2.333 -14.020 1.00 1.00 C ATOM 1202 C SER A 78 -22.511 3.187 -14.069 1.00 1.00 C ATOM 1203 O SER A 78 -22.490 4.244 -13.404 1.00 1.00 O ATOM 1204 CB SER A 78 -24.594 2.598 -15.275 1.00 1.00 C ATOM 1205 OG SER A 78 -25.897 2.023 -15.158 1.00 1.00 O ATOM 0 H SER A 78 -24.189 3.700 -12.541 1.00 1.00 H new ATOM 0 HA SER A 78 -23.519 1.268 -13.986 1.00 1.00 H new ATOM 0 HB2 SER A 78 -24.682 3.672 -15.435 1.00 1.00 H new ATOM 0 HB3 SER A 78 -24.090 2.185 -16.149 1.00 1.00 H new ATOM 0 HG SER A 78 -26.411 2.210 -15.971 1.00 1.00 H new ATOM 1211 N ASP A 79 -21.491 2.781 -14.808 1.00 1.00 N ATOM 1212 CA ASP A 79 -20.293 3.610 -14.919 1.00 1.00 C ATOM 1213 C ASP A 79 -20.678 4.888 -15.617 1.00 1.00 C ATOM 1214 O ASP A 79 -20.224 5.975 -15.255 1.00 1.00 O ATOM 1215 CB ASP A 79 -19.146 2.891 -15.664 1.00 1.00 C ATOM 1216 CG ASP A 79 -19.474 2.526 -17.096 1.00 1.00 C ATOM 1217 OD1 ASP A 79 -20.494 1.858 -17.318 1.00 1.00 O ATOM 1218 OD2 ASP A 79 -18.708 2.925 -18.010 1.00 1.00 O ATOM 0 H ASP A 79 -21.463 1.905 -15.330 1.00 1.00 H new ATOM 0 HA ASP A 79 -19.910 3.822 -13.921 1.00 1.00 H new ATOM 0 HB2 ASP A 79 -18.264 3.532 -15.656 1.00 1.00 H new ATOM 0 HB3 ASP A 79 -18.886 1.983 -15.119 1.00 1.00 H new ATOM 1223 N GLU A 80 -21.553 4.749 -16.587 1.00 1.00 N ATOM 1224 CA GLU A 80 -22.137 5.857 -17.251 1.00 1.00 C ATOM 1225 C GLU A 80 -23.668 5.759 -17.192 1.00 1.00 C ATOM 1226 O GLU A 80 -24.275 4.850 -17.753 1.00 1.00 O ATOM 1227 CB GLU A 80 -21.637 5.976 -18.692 1.00 1.00 C ATOM 1228 CG GLU A 80 -21.895 4.778 -19.578 1.00 1.00 C ATOM 1229 CD GLU A 80 -21.502 5.042 -21.002 1.00 1.00 C ATOM 1230 OE1 GLU A 80 -22.032 6.002 -21.612 1.00 1.00 O ATOM 1231 OE2 GLU A 80 -20.665 4.308 -21.534 1.00 1.00 O ATOM 0 H GLU A 80 -21.873 3.844 -16.930 1.00 1.00 H new ATOM 0 HA GLU A 80 -21.831 6.767 -16.735 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -22.104 6.849 -19.148 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -20.564 6.164 -18.670 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -21.338 3.920 -19.200 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -22.952 4.516 -19.536 1.00 1.00 H new ATOM 1238 N ASP A 81 -24.265 6.662 -16.470 1.00 1.00 N ATOM 1239 CA ASP A 81 -25.730 6.744 -16.370 1.00 1.00 C ATOM 1240 C ASP A 81 -26.112 8.172 -16.516 1.00 1.00 C ATOM 1241 O ASP A 81 -26.346 8.681 -17.601 1.00 1.00 O ATOM 1242 CB ASP A 81 -26.233 6.235 -14.989 1.00 1.00 C ATOM 1243 CG ASP A 81 -27.739 6.360 -14.802 1.00 1.00 C ATOM 1244 OD1 ASP A 81 -28.505 5.745 -15.565 1.00 1.00 O ATOM 1245 OD2 ASP A 81 -28.157 7.096 -13.882 1.00 1.00 O ATOM 0 H ASP A 81 -23.770 7.370 -15.928 1.00 1.00 H new ATOM 0 HA ASP A 81 -26.177 6.122 -17.146 1.00 1.00 H new ATOM 0 HB2 ASP A 81 -25.947 5.190 -14.871 1.00 1.00 H new ATOM 0 HB3 ASP A 81 -25.730 6.795 -14.200 1.00 1.00 H new ATOM 1250 N VAL A 82 -26.102 8.817 -15.413 1.00 1.00 N ATOM 1251 CA VAL A 82 -26.350 10.180 -15.288 1.00 1.00 C ATOM 1252 C VAL A 82 -25.130 10.950 -15.838 1.00 1.00 C ATOM 1253 O VAL A 82 -25.217 12.092 -16.270 1.00 1.00 O ATOM 1254 CB VAL A 82 -26.600 10.457 -13.796 1.00 1.00 C ATOM 1255 CG1 VAL A 82 -25.349 10.326 -12.936 1.00 1.00 C ATOM 1256 CG2 VAL A 82 -27.291 11.732 -13.600 1.00 1.00 C ATOM 0 H VAL A 82 -25.906 8.366 -14.519 1.00 1.00 H new ATOM 0 HA VAL A 82 -27.222 10.506 -15.855 1.00 1.00 H new ATOM 0 HB VAL A 82 -27.265 9.669 -13.442 1.00 1.00 H new ATOM 0 HG11 VAL A 82 -25.599 10.535 -11.896 1.00 1.00 H new ATOM 0 HG12 VAL A 82 -24.955 9.313 -13.018 1.00 1.00 H new ATOM 0 HG13 VAL A 82 -24.596 11.036 -13.278 1.00 1.00 H new ATOM 0 HG21 VAL A 82 -27.453 11.898 -12.535 1.00 1.00 H new ATOM 0 HG22 VAL A 82 -26.684 12.541 -14.005 1.00 1.00 H new ATOM 0 HG23 VAL A 82 -28.252 11.708 -14.113 1.00 1.00 H new ATOM 1266 N THR A 83 -24.015 10.249 -15.832 1.00 1.00 N ATOM 1267 CA THR A 83 -22.737 10.726 -16.260 1.00 1.00 C ATOM 1268 C THR A 83 -22.421 10.256 -17.685 1.00 1.00 C ATOM 1269 O THR A 83 -21.331 10.466 -18.199 1.00 1.00 O ATOM 1270 CB THR A 83 -21.710 10.137 -15.327 1.00 1.00 C ATOM 1271 OG1 THR A 83 -22.050 8.738 -15.109 1.00 1.00 O ATOM 1272 CG2 THR A 83 -21.726 10.870 -14.003 1.00 1.00 C ATOM 0 H THR A 83 -23.986 9.282 -15.510 1.00 1.00 H new ATOM 0 HA THR A 83 -22.730 11.816 -16.248 1.00 1.00 H new ATOM 0 HB THR A 83 -20.715 10.229 -15.763 1.00 1.00 H new ATOM 0 HG1 THR A 83 -21.315 8.292 -14.639 1.00 1.00 H new ATOM 0 HG21 THR A 83 -20.980 10.436 -13.338 1.00 1.00 H new ATOM 0 HG22 THR A 83 -21.497 11.923 -14.167 1.00 1.00 H new ATOM 0 HG23 THR A 83 -22.713 10.780 -13.549 1.00 1.00 H new ATOM 1280 N SER A 84 -23.379 9.589 -18.294 1.00 1.00 N ATOM 1281 CA SER A 84 -23.225 9.040 -19.662 1.00 1.00 C ATOM 1282 C SER A 84 -23.112 10.139 -20.732 1.00 1.00 C ATOM 1283 O SER A 84 -22.645 9.897 -21.861 1.00 1.00 O ATOM 1284 CB SER A 84 -24.360 8.040 -19.975 1.00 1.00 C ATOM 1285 OG SER A 84 -24.216 7.438 -21.263 1.00 1.00 O ATOM 0 H SER A 84 -24.289 9.403 -17.873 1.00 1.00 H new ATOM 0 HA SER A 84 -22.279 8.499 -19.693 1.00 1.00 H new ATOM 0 HB2 SER A 84 -24.375 7.261 -19.213 1.00 1.00 H new ATOM 0 HB3 SER A 84 -25.319 8.555 -19.923 1.00 1.00 H new ATOM 0 HG SER A 84 -23.379 6.930 -21.295 1.00 1.00 H new ATOM 1291 N GLU A 85 -23.516 11.315 -20.381 1.00 1.00 N ATOM 1292 CA GLU A 85 -23.469 12.415 -21.293 1.00 1.00 C ATOM 1293 C GLU A 85 -22.076 13.011 -21.302 1.00 1.00 C ATOM 1294 O GLU A 85 -21.458 13.168 -20.263 1.00 1.00 O ATOM 1295 CB GLU A 85 -24.507 13.460 -20.929 1.00 1.00 C ATOM 1296 CG GLU A 85 -25.932 12.951 -21.015 1.00 1.00 C ATOM 1297 CD GLU A 85 -26.939 14.027 -20.755 1.00 1.00 C ATOM 1298 OE1 GLU A 85 -27.057 14.937 -21.583 1.00 1.00 O ATOM 1299 OE2 GLU A 85 -27.634 13.970 -19.724 1.00 1.00 O ATOM 0 H GLU A 85 -23.887 11.543 -19.458 1.00 1.00 H new ATOM 0 HA GLU A 85 -23.702 12.055 -22.295 1.00 1.00 H new ATOM 0 HB2 GLU A 85 -24.316 13.813 -19.916 1.00 1.00 H new ATOM 0 HB3 GLU A 85 -24.395 14.318 -21.592 1.00 1.00 H new ATOM 0 HG2 GLU A 85 -26.104 12.527 -22.004 1.00 1.00 H new ATOM 0 HG3 GLU A 85 -26.071 12.145 -20.294 1.00 1.00 H new ATOM 1306 N VAL A 86 -21.585 13.327 -22.463 1.00 1.00 N ATOM 1307 CA VAL A 86 -20.271 13.876 -22.605 1.00 1.00 C ATOM 1308 C VAL A 86 -20.399 15.254 -23.204 1.00 1.00 C ATOM 1309 O VAL A 86 -20.500 15.413 -24.421 1.00 1.00 O ATOM 1310 CB VAL A 86 -19.357 12.982 -23.491 1.00 1.00 C ATOM 1311 CG1 VAL A 86 -17.942 13.538 -23.542 1.00 1.00 C ATOM 1312 CG2 VAL A 86 -19.344 11.548 -22.976 1.00 1.00 C ATOM 0 H VAL A 86 -22.088 13.210 -23.343 1.00 1.00 H new ATOM 0 HA VAL A 86 -19.801 13.926 -21.623 1.00 1.00 H new ATOM 0 HB VAL A 86 -19.763 12.983 -24.502 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -17.321 12.896 -24.167 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -17.961 14.544 -23.961 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -17.528 13.573 -22.534 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -18.699 10.940 -23.610 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -18.967 11.532 -21.953 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -20.357 11.145 -22.996 1.00 1.00 H new ATOM 1322 N GLN A 87 -20.438 16.237 -22.342 1.00 1.00 N ATOM 1323 CA GLN A 87 -20.597 17.625 -22.757 1.00 1.00 C ATOM 1324 C GLN A 87 -19.954 18.608 -21.771 1.00 1.00 C ATOM 1325 O GLN A 87 -19.791 19.778 -22.087 1.00 1.00 O ATOM 1326 CB GLN A 87 -22.075 17.959 -22.940 1.00 1.00 C ATOM 1327 CG GLN A 87 -22.908 17.688 -21.712 1.00 1.00 C ATOM 1328 CD GLN A 87 -24.374 17.924 -21.944 1.00 1.00 C ATOM 1329 OE1 GLN A 87 -24.874 19.008 -21.693 1.00 1.00 O ATOM 1330 NE2 GLN A 87 -25.060 16.931 -22.423 1.00 1.00 N ATOM 0 H GLN A 87 -20.361 16.109 -21.333 1.00 1.00 H new ATOM 0 HA GLN A 87 -20.078 17.734 -23.709 1.00 1.00 H new ATOM 0 HB2 GLN A 87 -22.171 19.011 -23.210 1.00 1.00 H new ATOM 0 HB3 GLN A 87 -22.470 17.378 -23.773 1.00 1.00 H new ATOM 0 HG2 GLN A 87 -22.756 16.656 -21.395 1.00 1.00 H new ATOM 0 HG3 GLN A 87 -22.566 18.326 -20.897 1.00 1.00 H new ATOM 0 HE21 GLN A 87 -24.601 16.041 -22.618 1.00 1.00 H new ATOM 0 HE22 GLN A 87 -26.058 17.041 -22.604 1.00 1.00 H new ATOM 1339 N GLY A 88 -19.611 18.143 -20.576 1.00 1.00 N ATOM 1340 CA GLY A 88 -18.984 18.998 -19.625 1.00 1.00 C ATOM 1341 C GLY A 88 -18.619 18.250 -18.378 1.00 1.00 C ATOM 1342 O GLY A 88 -17.726 17.398 -18.388 1.00 1.00 O ATOM 0 H GLY A 88 -19.762 17.185 -20.261 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -18.088 19.438 -20.063 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -19.654 19.821 -19.375 1.00 1.00 H new ATOM 1346 N LEU A 89 -19.323 18.531 -17.317 1.00 1.00 N ATOM 1347 CA LEU A 89 -19.081 17.886 -16.033 1.00 1.00 C ATOM 1348 C LEU A 89 -19.731 16.513 -15.948 1.00 1.00 C ATOM 1349 O LEU A 89 -19.517 15.764 -14.998 1.00 1.00 O ATOM 1350 CB LEU A 89 -19.567 18.788 -14.891 1.00 1.00 C ATOM 1351 CG LEU A 89 -20.997 19.407 -14.993 1.00 1.00 C ATOM 1352 CD1 LEU A 89 -22.103 18.368 -14.842 1.00 1.00 C ATOM 1353 CD2 LEU A 89 -21.170 20.496 -13.955 1.00 1.00 C ATOM 0 H LEU A 89 -20.083 19.211 -17.306 1.00 1.00 H new ATOM 0 HA LEU A 89 -18.006 17.735 -15.937 1.00 1.00 H new ATOM 0 HB2 LEU A 89 -19.520 18.210 -13.968 1.00 1.00 H new ATOM 0 HB3 LEU A 89 -18.856 19.608 -14.790 1.00 1.00 H new ATOM 0 HG LEU A 89 -21.087 19.829 -15.994 1.00 1.00 H new ATOM 0 HD11 LEU A 89 -23.074 18.856 -14.922 1.00 1.00 H new ATOM 0 HD12 LEU A 89 -22.008 17.619 -15.628 1.00 1.00 H new ATOM 0 HD13 LEU A 89 -22.018 17.885 -13.868 1.00 1.00 H new ATOM 0 HD21 LEU A 89 -22.171 20.920 -14.036 1.00 1.00 H new ATOM 0 HD22 LEU A 89 -21.034 20.074 -12.959 1.00 1.00 H new ATOM 0 HD23 LEU A 89 -20.430 21.279 -14.122 1.00 1.00 H new ATOM 1365 N PHE A 90 -20.547 16.223 -16.930 1.00 1.00 N ATOM 1366 CA PHE A 90 -21.309 14.998 -16.969 1.00 1.00 C ATOM 1367 C PHE A 90 -20.431 13.753 -17.070 1.00 1.00 C ATOM 1368 O PHE A 90 -20.624 12.815 -16.336 1.00 1.00 O ATOM 1369 CB PHE A 90 -22.331 15.049 -18.092 1.00 1.00 C ATOM 1370 CG PHE A 90 -23.434 16.031 -17.854 1.00 1.00 C ATOM 1371 CD1 PHE A 90 -24.568 15.647 -17.184 1.00 1.00 C ATOM 1372 CD2 PHE A 90 -23.331 17.339 -18.303 1.00 1.00 C ATOM 1373 CE1 PHE A 90 -25.594 16.545 -16.956 1.00 1.00 C ATOM 1374 CE2 PHE A 90 -24.348 18.241 -18.083 1.00 1.00 C ATOM 1375 CZ PHE A 90 -25.482 17.846 -17.410 1.00 1.00 C ATOM 0 H PHE A 90 -20.703 16.834 -17.731 1.00 1.00 H new ATOM 0 HA PHE A 90 -21.835 14.916 -16.018 1.00 1.00 H new ATOM 0 HB2 PHE A 90 -21.824 15.304 -19.022 1.00 1.00 H new ATOM 0 HB3 PHE A 90 -22.762 14.057 -18.225 1.00 1.00 H new ATOM 0 HD1 PHE A 90 -24.660 14.631 -16.830 1.00 1.00 H new ATOM 0 HD2 PHE A 90 -22.443 17.654 -18.831 1.00 1.00 H new ATOM 0 HE1 PHE A 90 -26.480 16.231 -16.425 1.00 1.00 H new ATOM 0 HE2 PHE A 90 -24.256 19.257 -18.438 1.00 1.00 H new ATOM 0 HZ PHE A 90 -26.282 18.551 -17.237 1.00 1.00 H new ATOM 1385 N ARG A 91 -19.455 13.770 -17.960 1.00 1.00 N ATOM 1386 CA ARG A 91 -18.575 12.612 -18.151 1.00 1.00 C ATOM 1387 C ARG A 91 -17.676 12.376 -16.945 1.00 1.00 C ATOM 1388 O ARG A 91 -16.712 13.116 -16.705 1.00 1.00 O ATOM 1389 CB ARG A 91 -17.727 12.756 -19.413 1.00 1.00 C ATOM 1390 CG ARG A 91 -16.826 11.566 -19.694 1.00 1.00 C ATOM 1391 CD ARG A 91 -16.009 11.771 -20.957 1.00 1.00 C ATOM 1392 NE ARG A 91 -15.118 12.936 -20.862 1.00 1.00 N ATOM 1393 CZ ARG A 91 -14.312 13.378 -21.840 1.00 1.00 C ATOM 1394 NH1 ARG A 91 -14.242 12.730 -23.009 1.00 1.00 N ATOM 1395 NH2 ARG A 91 -13.584 14.472 -21.648 1.00 1.00 N ATOM 0 H ARG A 91 -19.246 14.565 -18.563 1.00 1.00 H new ATOM 0 HA ARG A 91 -19.225 11.744 -18.265 1.00 1.00 H new ATOM 0 HB2 ARG A 91 -18.388 12.907 -20.267 1.00 1.00 H new ATOM 0 HB3 ARG A 91 -17.111 13.651 -19.324 1.00 1.00 H new ATOM 0 HG2 ARG A 91 -16.157 11.408 -18.848 1.00 1.00 H new ATOM 0 HG3 ARG A 91 -17.432 10.665 -19.794 1.00 1.00 H new ATOM 0 HD2 ARG A 91 -15.416 10.878 -21.152 1.00 1.00 H new ATOM 0 HD3 ARG A 91 -16.681 11.899 -21.805 1.00 1.00 H new ATOM 0 HE ARG A 91 -15.112 13.450 -19.981 1.00 1.00 H new ATOM 0 HH11 ARG A 91 -14.804 11.893 -23.162 1.00 1.00 H new ATOM 0 HH12 ARG A 91 -13.627 13.073 -23.746 1.00 1.00 H new ATOM 0 HH21 ARG A 91 -13.639 14.972 -20.761 1.00 1.00 H new ATOM 0 HH22 ARG A 91 -12.970 14.812 -22.388 1.00 1.00 H new ATOM 1409 N ARG A 92 -18.008 11.354 -16.201 1.00 1.00 N ATOM 1410 CA ARG A 92 -17.271 10.926 -15.043 1.00 1.00 C ATOM 1411 C ARG A 92 -17.721 9.514 -14.689 1.00 1.00 C ATOM 1412 O ARG A 92 -18.887 9.166 -14.903 1.00 1.00 O ATOM 1413 CB ARG A 92 -17.524 11.902 -13.873 1.00 1.00 C ATOM 1414 CG ARG A 92 -16.759 11.588 -12.592 1.00 1.00 C ATOM 1415 CD ARG A 92 -16.951 12.687 -11.553 1.00 1.00 C ATOM 1416 NE ARG A 92 -18.368 12.882 -11.214 1.00 1.00 N ATOM 1417 CZ ARG A 92 -18.839 13.826 -10.388 1.00 1.00 C ATOM 1418 NH1 ARG A 92 -18.003 14.540 -9.640 1.00 1.00 N ATOM 1419 NH2 ARG A 92 -20.150 14.026 -10.283 1.00 1.00 N ATOM 0 H ARG A 92 -18.827 10.777 -16.392 1.00 1.00 H new ATOM 0 HA ARG A 92 -16.200 10.923 -15.246 1.00 1.00 H new ATOM 0 HB2 ARG A 92 -17.261 12.909 -14.197 1.00 1.00 H new ATOM 0 HB3 ARG A 92 -18.591 11.907 -13.649 1.00 1.00 H new ATOM 0 HG2 ARG A 92 -17.100 10.636 -12.186 1.00 1.00 H new ATOM 0 HG3 ARG A 92 -15.698 11.477 -12.816 1.00 1.00 H new ATOM 0 HD2 ARG A 92 -16.394 12.435 -10.651 1.00 1.00 H new ATOM 0 HD3 ARG A 92 -16.537 13.621 -11.932 1.00 1.00 H new ATOM 0 HE ARG A 92 -19.045 12.250 -11.641 1.00 1.00 H new ATOM 0 HH11 ARG A 92 -16.999 14.370 -9.694 1.00 1.00 H new ATOM 0 HH12 ARG A 92 -18.366 15.258 -9.013 1.00 1.00 H new ATOM 0 HH21 ARG A 92 -20.798 13.460 -10.832 1.00 1.00 H new ATOM 0 HH22 ARG A 92 -20.507 14.745 -9.654 1.00 1.00 H new ATOM 1433 N LEU A 93 -16.815 8.687 -14.216 1.00 1.00 N ATOM 1434 CA LEU A 93 -17.187 7.354 -13.780 1.00 1.00 C ATOM 1435 C LEU A 93 -17.885 7.460 -12.442 1.00 1.00 C ATOM 1436 O LEU A 93 -17.509 8.300 -11.606 1.00 1.00 O ATOM 1437 CB LEU A 93 -15.958 6.442 -13.668 1.00 1.00 C ATOM 1438 CG LEU A 93 -15.272 6.068 -14.986 1.00 1.00 C ATOM 1439 CD1 LEU A 93 -13.959 5.354 -14.718 1.00 1.00 C ATOM 1440 CD2 LEU A 93 -16.177 5.187 -15.822 1.00 1.00 C ATOM 0 H LEU A 93 -15.824 8.908 -14.123 1.00 1.00 H new ATOM 0 HA LEU A 93 -17.856 6.911 -14.518 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -15.225 6.932 -13.027 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -16.258 5.523 -13.165 1.00 1.00 H new ATOM 0 HG LEU A 93 -15.067 6.986 -15.537 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -13.485 5.096 -15.665 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -13.299 6.008 -14.149 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -14.149 4.445 -14.148 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -15.675 4.930 -16.755 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -16.407 4.275 -15.271 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -17.101 5.721 -16.043 1.00 1.00 H new ATOM 1452 N ASN A 94 -18.898 6.655 -12.226 1.00 1.00 N ATOM 1453 CA ASN A 94 -19.628 6.729 -10.983 1.00 1.00 C ATOM 1454 C ASN A 94 -18.961 5.904 -9.912 1.00 1.00 C ATOM 1455 O ASN A 94 -18.457 4.815 -10.184 1.00 1.00 O ATOM 1456 CB ASN A 94 -21.099 6.334 -11.182 1.00 1.00 C ATOM 1457 CG ASN A 94 -21.885 7.411 -11.914 1.00 1.00 C ATOM 1458 OD1 ASN A 94 -21.752 8.595 -11.620 1.00 1.00 O ATOM 1459 ND2 ASN A 94 -22.675 7.017 -12.890 1.00 1.00 N ATOM 0 H ASN A 94 -19.232 5.951 -12.884 1.00 1.00 H new ATOM 0 HA ASN A 94 -19.617 7.765 -10.644 1.00 1.00 H new ATOM 0 HB2 ASN A 94 -21.151 5.402 -11.745 1.00 1.00 H new ATOM 0 HB3 ASN A 94 -21.558 6.147 -10.211 1.00 1.00 H new ATOM 0 HD21 ASN A 94 -23.201 7.705 -13.430 1.00 1.00 H new ATOM 0 HD22 ASN A 94 -22.761 6.024 -13.107 1.00 1.00 H new ATOM 1466 N THR A 95 -18.922 6.460 -8.724 1.00 1.00 N ATOM 1467 CA THR A 95 -18.362 5.859 -7.554 1.00 1.00 C ATOM 1468 C THR A 95 -19.466 5.602 -6.578 1.00 1.00 C ATOM 1469 O THR A 95 -20.597 6.130 -6.751 1.00 1.00 O ATOM 1470 CB THR A 95 -17.465 6.885 -6.899 1.00 1.00 C ATOM 1471 OG1 THR A 95 -18.019 8.196 -7.140 1.00 1.00 O ATOM 1472 CG2 THR A 95 -16.078 6.820 -7.418 1.00 1.00 C ATOM 0 H THR A 95 -19.301 7.390 -8.547 1.00 1.00 H new ATOM 0 HA THR A 95 -17.832 4.944 -7.818 1.00 1.00 H new ATOM 0 HB THR A 95 -17.419 6.676 -5.830 1.00 1.00 H new ATOM 0 HG1 THR A 95 -17.294 8.854 -7.188 1.00 1.00 H new ATOM 0 HG21 THR A 95 -15.468 7.574 -6.921 1.00 1.00 H new ATOM 0 HG22 THR A 95 -15.663 5.831 -7.224 1.00 1.00 H new ATOM 0 HG23 THR A 95 -16.082 7.007 -8.492 1.00 1.00 H new ATOM 1480 N LEU A 96 -19.181 4.856 -5.538 1.00 1.00 N ATOM 1481 CA LEU A 96 -20.172 4.694 -4.512 1.00 1.00 C ATOM 1482 C LEU A 96 -20.294 5.987 -3.730 1.00 1.00 C ATOM 1483 O LEU A 96 -21.342 6.277 -3.154 1.00 1.00 O ATOM 1484 CB LEU A 96 -19.951 3.452 -3.609 1.00 1.00 C ATOM 1485 CG LEU A 96 -18.775 3.448 -2.620 1.00 1.00 C ATOM 1486 CD1 LEU A 96 -19.116 4.181 -1.321 1.00 1.00 C ATOM 1487 CD2 LEU A 96 -18.369 2.024 -2.323 1.00 1.00 C ATOM 0 H LEU A 96 -18.299 4.367 -5.385 1.00 1.00 H new ATOM 0 HA LEU A 96 -21.125 4.485 -4.998 1.00 1.00 H new ATOM 0 HB2 LEU A 96 -20.864 3.297 -3.035 1.00 1.00 H new ATOM 0 HB3 LEU A 96 -19.834 2.587 -4.262 1.00 1.00 H new ATOM 0 HG LEU A 96 -17.945 3.980 -3.084 1.00 1.00 H new ATOM 0 HD11 LEU A 96 -18.256 4.154 -0.651 1.00 1.00 H new ATOM 0 HD12 LEU A 96 -19.369 5.217 -1.544 1.00 1.00 H new ATOM 0 HD13 LEU A 96 -19.965 3.695 -0.841 1.00 1.00 H new ATOM 0 HD21 LEU A 96 -17.535 2.022 -1.621 1.00 1.00 H new ATOM 0 HD22 LEU A 96 -19.212 1.489 -1.886 1.00 1.00 H new ATOM 0 HD23 LEU A 96 -18.067 1.532 -3.247 1.00 1.00 H new ATOM 1499 N GLN A 97 -19.217 6.795 -3.743 1.00 1.00 N ATOM 1500 CA GLN A 97 -19.229 8.098 -3.100 1.00 1.00 C ATOM 1501 C GLN A 97 -20.233 9.041 -3.755 1.00 1.00 C ATOM 1502 O GLN A 97 -20.720 9.952 -3.118 1.00 1.00 O ATOM 1503 CB GLN A 97 -17.842 8.723 -3.063 1.00 1.00 C ATOM 1504 CG GLN A 97 -17.384 9.422 -4.333 1.00 1.00 C ATOM 1505 CD GLN A 97 -15.883 9.435 -4.444 1.00 1.00 C ATOM 1506 OE1 GLN A 97 -15.305 8.306 -4.202 1.00 1.00 O flip ATOM 1507 NE2 GLN A 97 -15.270 10.433 -4.817 1.00 1.00 N flip ATOM 0 H GLN A 97 -18.334 6.557 -4.195 1.00 1.00 H new ATOM 0 HA GLN A 97 -19.547 7.937 -2.070 1.00 1.00 H new ATOM 0 HB2 GLN A 97 -17.813 9.444 -2.246 1.00 1.00 H new ATOM 0 HB3 GLN A 97 -17.121 7.942 -2.824 1.00 1.00 H new ATOM 0 HG2 GLN A 97 -17.810 8.918 -5.201 1.00 1.00 H new ATOM 0 HG3 GLN A 97 -17.760 10.445 -4.342 1.00 1.00 H new ATOM 0 HE21 GLN A 97 -15.772 11.303 -4.995 1.00 1.00 H new ATOM 0 HE22 GLN A 97 -14.259 10.391 -4.948 1.00 1.00 H new ATOM 1516 N HIS A 98 -20.538 8.826 -5.028 1.00 1.00 N ATOM 1517 CA HIS A 98 -21.523 9.666 -5.706 1.00 1.00 C ATOM 1518 C HIS A 98 -22.902 9.456 -5.067 1.00 1.00 C ATOM 1519 O HIS A 98 -23.666 10.399 -4.882 1.00 1.00 O ATOM 1520 CB HIS A 98 -21.566 9.379 -7.220 1.00 1.00 C ATOM 1521 CG HIS A 98 -22.374 10.381 -8.009 1.00 1.00 C ATOM 1522 ND1 HIS A 98 -23.467 10.039 -8.776 1.00 1.00 N ATOM 1523 CD2 HIS A 98 -22.236 11.728 -8.140 1.00 1.00 C ATOM 1524 CE1 HIS A 98 -23.962 11.122 -9.341 1.00 1.00 C ATOM 1525 NE2 HIS A 98 -23.236 12.156 -8.975 1.00 1.00 N ATOM 0 H HIS A 98 -20.128 8.092 -5.605 1.00 1.00 H new ATOM 0 HA HIS A 98 -21.230 10.709 -5.588 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -20.547 9.364 -7.606 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -21.982 8.384 -7.380 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -21.481 12.344 -7.674 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -24.821 11.155 -9.995 1.00 1.00 H new ATOM 0 HE2 HIS A 98 -23.392 13.121 -9.266 1.00 1.00 H new ATOM 1534 N TYR A 99 -23.205 8.213 -4.737 1.00 1.00 N ATOM 1535 CA TYR A 99 -24.457 7.872 -4.068 1.00 1.00 C ATOM 1536 C TYR A 99 -24.314 8.044 -2.530 1.00 1.00 C ATOM 1537 O TYR A 99 -25.315 8.117 -1.806 1.00 1.00 O ATOM 1538 CB TYR A 99 -24.830 6.425 -4.419 1.00 1.00 C ATOM 1539 CG TYR A 99 -26.266 6.002 -4.113 1.00 1.00 C ATOM 1540 CD1 TYR A 99 -27.291 6.932 -3.901 1.00 1.00 C ATOM 1541 CD2 TYR A 99 -26.588 4.658 -4.034 1.00 1.00 C ATOM 1542 CE1 TYR A 99 -28.580 6.517 -3.615 1.00 1.00 C ATOM 1543 CE2 TYR A 99 -27.869 4.243 -3.755 1.00 1.00 C ATOM 1544 CZ TYR A 99 -28.860 5.170 -3.546 1.00 1.00 C ATOM 1545 OH TYR A 99 -30.141 4.741 -3.249 1.00 1.00 O ATOM 0 H TYR A 99 -22.598 7.414 -4.922 1.00 1.00 H new ATOM 0 HA TYR A 99 -25.248 8.542 -4.407 1.00 1.00 H new ATOM 0 HB2 TYR A 99 -24.648 6.273 -5.483 1.00 1.00 H new ATOM 0 HB3 TYR A 99 -24.155 5.758 -3.882 1.00 1.00 H new ATOM 0 HD1 TYR A 99 -27.073 7.988 -3.961 1.00 1.00 H new ATOM 0 HD2 TYR A 99 -25.817 3.919 -4.195 1.00 1.00 H new ATOM 0 HE1 TYR A 99 -29.361 7.244 -3.447 1.00 1.00 H new ATOM 0 HE2 TYR A 99 -28.095 3.188 -3.700 1.00 1.00 H new ATOM 0 HH TYR A 99 -30.224 3.788 -3.460 1.00 1.00 H new ATOM 1555 N LYS A 100 -23.056 8.134 -2.065 1.00 1.00 N ATOM 1556 CA LYS A 100 -22.707 8.249 -0.630 1.00 1.00 C ATOM 1557 C LYS A 100 -23.277 7.060 0.157 1.00 1.00 C ATOM 1558 O LYS A 100 -23.960 7.243 1.172 1.00 1.00 O ATOM 1559 CB LYS A 100 -23.217 9.580 -0.016 1.00 1.00 C ATOM 1560 CG LYS A 100 -22.598 10.867 -0.573 1.00 1.00 C ATOM 1561 CD LYS A 100 -21.112 10.984 -0.247 1.00 1.00 C ATOM 1562 CE LYS A 100 -20.526 12.320 -0.729 1.00 1.00 C ATOM 1563 NZ LYS A 100 -20.675 12.527 -2.192 1.00 1.00 N ATOM 0 H LYS A 100 -22.241 8.129 -2.678 1.00 1.00 H new ATOM 0 HA LYS A 100 -21.619 8.242 -0.560 1.00 1.00 H new ATOM 0 HB2 LYS A 100 -24.297 9.631 -0.158 1.00 1.00 H new ATOM 0 HB3 LYS A 100 -23.038 9.552 1.059 1.00 1.00 H new ATOM 0 HG2 LYS A 100 -22.734 10.894 -1.654 1.00 1.00 H new ATOM 0 HG3 LYS A 100 -23.126 11.728 -0.164 1.00 1.00 H new ATOM 0 HD2 LYS A 100 -20.968 10.891 0.829 1.00 1.00 H new ATOM 0 HD3 LYS A 100 -20.571 10.160 -0.714 1.00 1.00 H new ATOM 0 HE2 LYS A 100 -21.017 13.137 -0.201 1.00 1.00 H new ATOM 0 HE3 LYS A 100 -19.469 12.361 -0.468 1.00 1.00 H new ATOM 0 HZ1 LYS A 100 -19.838 13.023 -2.559 1.00 1.00 H new ATOM 0 HZ2 LYS A 100 -20.767 11.606 -2.665 1.00 1.00 H new ATOM 0 HZ3 LYS A 100 -21.524 13.098 -2.377 1.00 1.00 H new ATOM 1577 N VAL A 101 -23.006 5.849 -0.320 1.00 1.00 N ATOM 1578 CA VAL A 101 -23.559 4.655 0.332 1.00 1.00 C ATOM 1579 C VAL A 101 -22.856 4.315 1.655 1.00 1.00 C ATOM 1580 O VAL A 101 -21.660 4.601 1.835 1.00 1.00 O ATOM 1581 CB VAL A 101 -23.591 3.397 -0.599 1.00 1.00 C ATOM 1582 CG1 VAL A 101 -23.720 3.793 -2.048 1.00 1.00 C ATOM 1583 CG2 VAL A 101 -22.392 2.457 -0.377 1.00 1.00 C ATOM 0 H VAL A 101 -22.422 5.664 -1.136 1.00 1.00 H new ATOM 0 HA VAL A 101 -24.591 4.924 0.557 1.00 1.00 H new ATOM 0 HB VAL A 101 -24.480 2.830 -0.322 1.00 1.00 H new ATOM 0 HG11 VAL A 101 -23.739 2.898 -2.670 1.00 1.00 H new ATOM 0 HG12 VAL A 101 -24.643 4.354 -2.191 1.00 1.00 H new ATOM 0 HG13 VAL A 101 -22.870 4.414 -2.333 1.00 1.00 H new ATOM 0 HG21 VAL A 101 -22.469 1.603 -1.050 1.00 1.00 H new ATOM 0 HG22 VAL A 101 -21.466 2.995 -0.578 1.00 1.00 H new ATOM 0 HG23 VAL A 101 -22.391 2.106 0.655 1.00 1.00 H new ATOM 1593 N PRO A 102 -23.613 3.738 2.601 1.00 1.00 N ATOM 1594 CA PRO A 102 -23.084 3.285 3.882 1.00 1.00 C ATOM 1595 C PRO A 102 -22.346 1.948 3.778 1.00 1.00 C ATOM 1596 O PRO A 102 -22.566 1.166 2.834 1.00 1.00 O ATOM 1597 CB PRO A 102 -24.345 3.130 4.733 1.00 1.00 C ATOM 1598 CG PRO A 102 -25.392 2.730 3.756 1.00 1.00 C ATOM 1599 CD PRO A 102 -25.071 3.479 2.496 1.00 1.00 C ATOM 0 HA PRO A 102 -22.348 3.978 4.289 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -24.213 2.375 5.508 1.00 1.00 H new ATOM 0 HB3 PRO A 102 -24.604 4.062 5.236 1.00 1.00 H new ATOM 0 HG2 PRO A 102 -25.380 1.653 3.587 1.00 1.00 H new ATOM 0 HG3 PRO A 102 -26.387 2.984 4.121 1.00 1.00 H new ATOM 0 HD2 PRO A 102 -25.310 2.892 1.609 1.00 1.00 H new ATOM 0 HD3 PRO A 102 -25.638 4.407 2.426 1.00 1.00 H new ATOM 1607 N ASP A 103 -21.465 1.695 4.721 1.00 1.00 N ATOM 1608 CA ASP A 103 -20.809 0.409 4.804 1.00 1.00 C ATOM 1609 C ASP A 103 -21.832 -0.646 5.149 1.00 1.00 C ATOM 1610 O ASP A 103 -22.511 -0.570 6.180 1.00 1.00 O ATOM 1611 CB ASP A 103 -19.630 0.405 5.809 1.00 1.00 C ATOM 1612 CG ASP A 103 -20.027 0.727 7.230 1.00 1.00 C ATOM 1613 OD1 ASP A 103 -20.400 1.887 7.504 1.00 1.00 O ATOM 1614 OD2 ASP A 103 -19.961 -0.163 8.096 1.00 1.00 O ATOM 0 H ASP A 103 -21.187 2.362 5.440 1.00 1.00 H new ATOM 0 HA ASP A 103 -20.370 0.186 3.832 1.00 1.00 H new ATOM 0 HB2 ASP A 103 -19.154 -0.575 5.790 1.00 1.00 H new ATOM 0 HB3 ASP A 103 -18.884 1.128 5.479 1.00 1.00 H new ATOM 1619 N GLY A 104 -21.961 -1.596 4.279 1.00 1.00 N ATOM 1620 CA GLY A 104 -22.951 -2.624 4.449 1.00 1.00 C ATOM 1621 C GLY A 104 -24.079 -2.453 3.460 1.00 1.00 C ATOM 1622 O GLY A 104 -25.167 -3.019 3.630 1.00 1.00 O ATOM 0 H GLY A 104 -21.392 -1.686 3.437 1.00 1.00 H new ATOM 0 HA2 GLY A 104 -22.491 -3.603 4.317 1.00 1.00 H new ATOM 0 HA3 GLY A 104 -23.344 -2.591 5.465 1.00 1.00 H new ATOM 1626 N ALA A 105 -23.829 -1.659 2.415 1.00 1.00 N ATOM 1627 CA ALA A 105 -24.824 -1.420 1.388 1.00 1.00 C ATOM 1628 C ALA A 105 -25.027 -2.665 0.541 1.00 1.00 C ATOM 1629 O ALA A 105 -24.202 -3.573 0.543 1.00 1.00 O ATOM 1630 CB ALA A 105 -24.443 -0.243 0.528 1.00 1.00 C ATOM 0 H ALA A 105 -22.944 -1.175 2.266 1.00 1.00 H new ATOM 0 HA ALA A 105 -25.767 -1.182 1.880 1.00 1.00 H new ATOM 0 HB1 ALA A 105 -25.207 -0.087 -0.234 1.00 1.00 H new ATOM 0 HB2 ALA A 105 -24.361 0.649 1.148 1.00 1.00 H new ATOM 0 HB3 ALA A 105 -23.485 -0.439 0.046 1.00 1.00 H new ATOM 1636 N THR A 106 -26.102 -2.712 -0.169 1.00 1.00 N ATOM 1637 CA THR A 106 -26.452 -3.874 -0.928 1.00 1.00 C ATOM 1638 C THR A 106 -26.455 -3.553 -2.421 1.00 1.00 C ATOM 1639 O THR A 106 -26.964 -2.536 -2.829 1.00 1.00 O ATOM 1640 CB THR A 106 -27.845 -4.353 -0.488 1.00 1.00 C ATOM 1641 OG1 THR A 106 -27.855 -4.482 0.946 1.00 1.00 O ATOM 1642 CG2 THR A 106 -28.190 -5.696 -1.115 1.00 1.00 C ATOM 0 H THR A 106 -26.769 -1.944 -0.243 1.00 1.00 H new ATOM 0 HA THR A 106 -25.718 -4.660 -0.750 1.00 1.00 H new ATOM 0 HB THR A 106 -28.586 -3.625 -0.816 1.00 1.00 H new ATOM 0 HG1 THR A 106 -28.739 -4.785 1.241 1.00 1.00 H new ATOM 0 HG21 THR A 106 -29.181 -6.008 -0.785 1.00 1.00 H new ATOM 0 HG22 THR A 106 -28.182 -5.603 -2.201 1.00 1.00 H new ATOM 0 HG23 THR A 106 -27.455 -6.440 -0.809 1.00 1.00 H new ATOM 1650 N VAL A 107 -25.850 -4.389 -3.215 1.00 1.00 N ATOM 1651 CA VAL A 107 -25.865 -4.187 -4.642 1.00 1.00 C ATOM 1652 C VAL A 107 -26.497 -5.352 -5.313 1.00 1.00 C ATOM 1653 O VAL A 107 -26.277 -6.486 -4.911 1.00 1.00 O ATOM 1654 CB VAL A 107 -24.471 -3.933 -5.249 1.00 1.00 C ATOM 1655 CG1 VAL A 107 -23.907 -2.662 -4.708 1.00 1.00 C ATOM 1656 CG2 VAL A 107 -23.512 -5.093 -4.999 1.00 1.00 C ATOM 0 H VAL A 107 -25.340 -5.216 -2.903 1.00 1.00 H new ATOM 0 HA VAL A 107 -26.448 -3.282 -4.814 1.00 1.00 H new ATOM 0 HB VAL A 107 -24.591 -3.847 -6.329 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -22.922 -2.488 -5.141 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -24.567 -1.833 -4.964 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -23.819 -2.735 -3.624 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -22.544 -4.867 -5.445 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -23.391 -5.240 -3.926 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -23.915 -6.001 -5.447 1.00 1.00 H new ATOM 1666 N ALA A 108 -27.307 -5.088 -6.276 1.00 1.00 N ATOM 1667 CA ALA A 108 -27.929 -6.140 -7.015 1.00 1.00 C ATOM 1668 C ALA A 108 -27.721 -5.921 -8.482 1.00 1.00 C ATOM 1669 O ALA A 108 -27.796 -4.818 -8.953 1.00 1.00 O ATOM 1670 CB ALA A 108 -29.393 -6.242 -6.691 1.00 1.00 C ATOM 0 H ALA A 108 -27.559 -4.146 -6.576 1.00 1.00 H new ATOM 0 HA ALA A 108 -27.466 -7.084 -6.729 1.00 1.00 H new ATOM 0 HB1 ALA A 108 -29.838 -7.052 -7.269 1.00 1.00 H new ATOM 0 HB2 ALA A 108 -29.517 -6.445 -5.627 1.00 1.00 H new ATOM 0 HB3 ALA A 108 -29.887 -5.303 -6.941 1.00 1.00 H new ATOM 1676 N LEU A 109 -27.464 -6.958 -9.196 1.00 1.00 N ATOM 1677 CA LEU A 109 -27.222 -6.825 -10.610 1.00 1.00 C ATOM 1678 C LEU A 109 -28.276 -7.513 -11.426 1.00 1.00 C ATOM 1679 O LEU A 109 -28.866 -8.514 -10.989 1.00 1.00 O ATOM 1680 CB LEU A 109 -25.751 -7.187 -11.065 1.00 1.00 C ATOM 1681 CG LEU A 109 -25.145 -8.610 -10.796 1.00 1.00 C ATOM 1682 CD1 LEU A 109 -24.907 -8.876 -9.328 1.00 1.00 C ATOM 1683 CD2 LEU A 109 -25.950 -9.735 -11.444 1.00 1.00 C ATOM 0 H LEU A 109 -27.413 -7.911 -8.837 1.00 1.00 H new ATOM 0 HA LEU A 109 -27.303 -5.758 -10.815 1.00 1.00 H new ATOM 0 HB2 LEU A 109 -25.699 -7.017 -12.140 1.00 1.00 H new ATOM 0 HB3 LEU A 109 -25.085 -6.463 -10.595 1.00 1.00 H new ATOM 0 HG LEU A 109 -24.169 -8.602 -11.282 1.00 1.00 H new ATOM 0 HD11 LEU A 109 -24.487 -9.874 -9.202 1.00 1.00 H new ATOM 0 HD12 LEU A 109 -24.210 -8.137 -8.933 1.00 1.00 H new ATOM 0 HD13 LEU A 109 -25.852 -8.809 -8.788 1.00 1.00 H new ATOM 0 HD21 LEU A 109 -25.480 -10.693 -11.222 1.00 1.00 H new ATOM 0 HD22 LEU A 109 -26.966 -9.729 -11.050 1.00 1.00 H new ATOM 0 HD23 LEU A 109 -25.979 -9.587 -12.524 1.00 1.00 H new ATOM 1695 N VAL A 110 -28.548 -6.954 -12.571 1.00 1.00 N ATOM 1696 CA VAL A 110 -29.512 -7.490 -13.505 1.00 1.00 C ATOM 1697 C VAL A 110 -28.963 -7.353 -14.930 1.00 1.00 C ATOM 1698 O VAL A 110 -28.177 -6.437 -15.210 1.00 1.00 O ATOM 1699 CB VAL A 110 -30.885 -6.741 -13.434 1.00 1.00 C ATOM 1700 CG1 VAL A 110 -31.439 -6.727 -12.042 1.00 1.00 C ATOM 1701 CG2 VAL A 110 -30.760 -5.336 -13.943 1.00 1.00 C ATOM 0 H VAL A 110 -28.100 -6.096 -12.893 1.00 1.00 H new ATOM 0 HA VAL A 110 -29.677 -8.534 -13.240 1.00 1.00 H new ATOM 0 HB VAL A 110 -31.578 -7.290 -14.072 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -32.392 -6.198 -12.035 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -31.590 -7.751 -11.700 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -30.739 -6.222 -11.377 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -31.728 -4.839 -13.882 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -30.035 -4.793 -13.337 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -30.426 -5.353 -14.980 1.00 1.00 H new ATOM 1711 N PRO A 111 -29.358 -8.240 -15.837 1.00 1.00 N ATOM 1712 CA PRO A 111 -28.940 -8.172 -17.239 1.00 1.00 C ATOM 1713 C PRO A 111 -29.729 -7.082 -18.005 1.00 1.00 C ATOM 1714 O PRO A 111 -30.588 -7.399 -18.831 1.00 1.00 O ATOM 1715 CB PRO A 111 -29.289 -9.573 -17.763 1.00 1.00 C ATOM 1716 CG PRO A 111 -30.445 -10.015 -16.920 1.00 1.00 C ATOM 1717 CD PRO A 111 -30.234 -9.402 -15.571 1.00 1.00 C ATOM 0 HA PRO A 111 -27.889 -7.910 -17.364 1.00 1.00 H new ATOM 0 HB2 PRO A 111 -29.556 -9.546 -18.819 1.00 1.00 H new ATOM 0 HB3 PRO A 111 -28.444 -10.255 -17.666 1.00 1.00 H new ATOM 0 HG2 PRO A 111 -31.390 -9.688 -17.353 1.00 1.00 H new ATOM 0 HG3 PRO A 111 -30.485 -11.102 -16.852 1.00 1.00 H new ATOM 0 HD2 PRO A 111 -31.178 -9.095 -15.120 1.00 1.00 H new ATOM 0 HD3 PRO A 111 -29.766 -10.105 -14.882 1.00 1.00 H new ATOM 1725 N CYS A 112 -29.400 -5.797 -17.713 1.00 1.00 N ATOM 1726 CA CYS A 112 -30.087 -4.596 -18.256 1.00 1.00 C ATOM 1727 C CYS A 112 -31.598 -4.770 -18.182 1.00 1.00 C ATOM 1728 O CYS A 112 -32.267 -5.049 -19.182 1.00 1.00 O ATOM 1729 CB CYS A 112 -29.604 -4.222 -19.684 1.00 1.00 C ATOM 1730 SG CYS A 112 -29.742 -5.534 -20.932 1.00 1.00 S ATOM 0 H CYS A 112 -28.635 -5.562 -17.081 1.00 1.00 H new ATOM 0 HA CYS A 112 -29.815 -3.748 -17.627 1.00 1.00 H new ATOM 0 HB2 CYS A 112 -30.175 -3.359 -20.026 1.00 1.00 H new ATOM 0 HB3 CYS A 112 -28.561 -3.911 -19.625 1.00 1.00 H new ATOM 0 HG CYS A 112 -30.148 -6.631 -20.365 1.00 1.00 H new ATOM 1736 N LEU A 113 -32.136 -4.608 -17.006 1.00 1.00 N ATOM 1737 CA LEU A 113 -33.524 -4.963 -16.794 1.00 1.00 C ATOM 1738 C LEU A 113 -34.250 -4.018 -15.853 1.00 1.00 C ATOM 1739 O LEU A 113 -35.388 -3.644 -16.099 1.00 1.00 O ATOM 1740 CB LEU A 113 -33.592 -6.420 -16.262 1.00 1.00 C ATOM 1741 CG LEU A 113 -34.875 -7.234 -16.533 1.00 1.00 C ATOM 1742 CD1 LEU A 113 -36.030 -6.759 -15.672 1.00 1.00 C ATOM 1743 CD2 LEU A 113 -35.243 -7.194 -18.009 1.00 1.00 C ATOM 0 H LEU A 113 -31.651 -4.240 -16.188 1.00 1.00 H new ATOM 0 HA LEU A 113 -34.037 -4.880 -17.752 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -32.752 -6.970 -16.687 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -33.439 -6.389 -15.183 1.00 1.00 H new ATOM 0 HG LEU A 113 -34.670 -8.270 -16.262 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -36.916 -7.355 -15.890 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -35.769 -6.869 -14.620 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -36.236 -5.710 -15.886 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -36.150 -7.775 -18.174 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -35.413 -6.161 -18.314 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -34.429 -7.617 -18.598 1.00 1.00 H new ATOM 1755 N THR A 114 -33.599 -3.604 -14.818 1.00 1.00 N ATOM 1756 CA THR A 114 -34.286 -2.880 -13.767 1.00 1.00 C ATOM 1757 C THR A 114 -34.112 -1.373 -13.903 1.00 1.00 C ATOM 1758 O THR A 114 -34.478 -0.587 -13.005 1.00 1.00 O ATOM 1759 CB THR A 114 -33.882 -3.409 -12.358 1.00 1.00 C ATOM 1760 OG1 THR A 114 -34.799 -2.955 -11.343 1.00 1.00 O ATOM 1761 CG2 THR A 114 -32.473 -2.988 -12.012 1.00 1.00 C ATOM 0 H THR A 114 -32.601 -3.746 -14.665 1.00 1.00 H new ATOM 0 HA THR A 114 -35.353 -3.069 -13.880 1.00 1.00 H new ATOM 0 HB THR A 114 -33.925 -4.498 -12.392 1.00 1.00 H new ATOM 0 HG1 THR A 114 -34.316 -2.415 -10.683 1.00 1.00 H new ATOM 0 HG21 THR A 114 -32.212 -3.368 -11.024 1.00 1.00 H new ATOM 0 HG22 THR A 114 -31.781 -3.392 -12.751 1.00 1.00 H new ATOM 0 HG23 THR A 114 -32.408 -1.900 -12.011 1.00 1.00 H new ATOM 1769 N LYS A 115 -33.589 -0.973 -15.015 1.00 1.00 N ATOM 1770 CA LYS A 115 -33.402 0.411 -15.277 1.00 1.00 C ATOM 1771 C LYS A 115 -34.701 1.024 -15.774 1.00 1.00 C ATOM 1772 O LYS A 115 -35.224 0.667 -16.830 1.00 1.00 O ATOM 1773 CB LYS A 115 -32.231 0.654 -16.243 1.00 1.00 C ATOM 1774 CG LYS A 115 -32.391 0.051 -17.646 1.00 1.00 C ATOM 1775 CD LYS A 115 -31.137 0.266 -18.480 1.00 1.00 C ATOM 1776 CE LYS A 115 -30.839 1.744 -18.662 1.00 1.00 C ATOM 1777 NZ LYS A 115 -29.550 1.973 -19.344 1.00 1.00 N ATOM 0 H LYS A 115 -33.281 -1.595 -15.763 1.00 1.00 H new ATOM 0 HA LYS A 115 -33.131 0.909 -14.346 1.00 1.00 H new ATOM 0 HB2 LYS A 115 -32.084 1.729 -16.344 1.00 1.00 H new ATOM 0 HB3 LYS A 115 -31.324 0.249 -15.795 1.00 1.00 H new ATOM 0 HG2 LYS A 115 -32.599 -1.016 -17.565 1.00 1.00 H new ATOM 0 HG3 LYS A 115 -33.246 0.506 -18.146 1.00 1.00 H new ATOM 0 HD2 LYS A 115 -30.289 -0.221 -17.998 1.00 1.00 H new ATOM 0 HD3 LYS A 115 -31.262 -0.204 -19.455 1.00 1.00 H new ATOM 0 HE2 LYS A 115 -31.640 2.206 -19.239 1.00 1.00 H new ATOM 0 HE3 LYS A 115 -30.825 2.233 -17.688 1.00 1.00 H new ATOM 0 HZ1 LYS A 115 -29.388 2.995 -19.447 1.00 1.00 H new ATOM 0 HZ2 LYS A 115 -28.781 1.555 -18.782 1.00 1.00 H new ATOM 0 HZ3 LYS A 115 -29.571 1.530 -20.285 1.00 1.00 H new ATOM 1791 N HIS A 116 -35.237 1.918 -14.997 1.00 1.00 N ATOM 1792 CA HIS A 116 -36.472 2.550 -15.358 1.00 1.00 C ATOM 1793 C HIS A 116 -36.197 3.866 -16.035 1.00 1.00 C ATOM 1794 O HIS A 116 -35.794 4.838 -15.397 1.00 1.00 O ATOM 1795 CB HIS A 116 -37.462 2.679 -14.156 1.00 1.00 C ATOM 1796 CG HIS A 116 -36.918 3.319 -12.897 1.00 1.00 C ATOM 1797 ND1 HIS A 116 -36.366 2.595 -11.861 1.00 1.00 N ATOM 1798 CD2 HIS A 116 -36.864 4.616 -12.511 1.00 1.00 C ATOM 1799 CE1 HIS A 116 -35.995 3.415 -10.904 1.00 1.00 C ATOM 1800 NE2 HIS A 116 -36.287 4.643 -11.272 1.00 1.00 N ATOM 0 H HIS A 116 -34.839 2.226 -14.110 1.00 1.00 H new ATOM 0 HA HIS A 116 -36.985 1.905 -16.072 1.00 1.00 H new ATOM 0 HB2 HIS A 116 -38.326 3.256 -14.486 1.00 1.00 H new ATOM 0 HB3 HIS A 116 -37.823 1.682 -13.903 1.00 1.00 H new ATOM 0 HD2 HIS A 116 -37.211 5.469 -13.076 1.00 1.00 H new ATOM 0 HE1 HIS A 116 -35.529 3.129 -9.973 1.00 1.00 H new ATOM 0 HE2 HIS A 116 -36.111 5.483 -10.720 1.00 1.00 H new ATOM 1809 N VAL A 117 -36.364 3.875 -17.329 1.00 1.00 N ATOM 1810 CA VAL A 117 -36.137 5.061 -18.118 1.00 1.00 C ATOM 1811 C VAL A 117 -37.325 5.990 -18.006 1.00 1.00 C ATOM 1812 O VAL A 117 -38.462 5.540 -17.843 1.00 1.00 O ATOM 1813 CB VAL A 117 -35.850 4.729 -19.608 1.00 1.00 C ATOM 1814 CG1 VAL A 117 -34.562 3.929 -19.732 1.00 1.00 C ATOM 1815 CG2 VAL A 117 -37.010 3.961 -20.237 1.00 1.00 C ATOM 0 H VAL A 117 -36.661 3.062 -17.869 1.00 1.00 H new ATOM 0 HA VAL A 117 -35.249 5.555 -17.722 1.00 1.00 H new ATOM 0 HB VAL A 117 -35.737 5.670 -20.146 1.00 1.00 H new ATOM 0 HG11 VAL A 117 -34.373 3.703 -20.782 1.00 1.00 H new ATOM 0 HG12 VAL A 117 -33.732 4.511 -19.331 1.00 1.00 H new ATOM 0 HG13 VAL A 117 -34.656 2.999 -19.172 1.00 1.00 H new ATOM 0 HG21 VAL A 117 -36.779 3.743 -21.280 1.00 1.00 H new ATOM 0 HG22 VAL A 117 -37.163 3.027 -19.697 1.00 1.00 H new ATOM 0 HG23 VAL A 117 -37.917 4.564 -20.184 1.00 1.00 H new ATOM 1825 N LEU A 118 -37.079 7.259 -18.068 1.00 1.00 N ATOM 1826 CA LEU A 118 -38.131 8.216 -17.926 1.00 1.00 C ATOM 1827 C LEU A 118 -38.221 9.123 -19.127 1.00 1.00 C ATOM 1828 O LEU A 118 -37.219 9.407 -19.788 1.00 1.00 O ATOM 1829 CB LEU A 118 -37.993 9.019 -16.612 1.00 1.00 C ATOM 1830 CG LEU A 118 -36.575 9.442 -16.190 1.00 1.00 C ATOM 1831 CD1 LEU A 118 -36.119 10.682 -16.946 1.00 1.00 C ATOM 1832 CD2 LEU A 118 -36.522 9.682 -14.691 1.00 1.00 C ATOM 0 H LEU A 118 -36.153 7.660 -18.217 1.00 1.00 H new ATOM 0 HA LEU A 118 -39.069 7.663 -17.870 1.00 1.00 H new ATOM 0 HB2 LEU A 118 -38.601 9.919 -16.701 1.00 1.00 H new ATOM 0 HB3 LEU A 118 -38.421 8.423 -15.806 1.00 1.00 H new ATOM 0 HG LEU A 118 -35.892 8.630 -16.441 1.00 1.00 H new ATOM 0 HD11 LEU A 118 -35.114 10.955 -16.625 1.00 1.00 H new ATOM 0 HD12 LEU A 118 -36.114 10.475 -18.016 1.00 1.00 H new ATOM 0 HD13 LEU A 118 -36.802 11.506 -16.739 1.00 1.00 H new ATOM 0 HD21 LEU A 118 -35.513 9.981 -14.406 1.00 1.00 H new ATOM 0 HD22 LEU A 118 -37.224 10.472 -14.424 1.00 1.00 H new ATOM 0 HD23 LEU A 118 -36.791 8.765 -14.166 1.00 1.00 H new ATOM 1844 N ARG A 119 -39.413 9.555 -19.416 1.00 1.00 N ATOM 1845 CA ARG A 119 -39.648 10.471 -20.496 1.00 1.00 C ATOM 1846 C ARG A 119 -39.793 11.855 -19.904 1.00 1.00 C ATOM 1847 O ARG A 119 -39.896 12.001 -18.674 1.00 1.00 O ATOM 1848 CB ARG A 119 -40.946 10.113 -21.244 1.00 1.00 C ATOM 1849 CG ARG A 119 -42.216 10.366 -20.429 1.00 1.00 C ATOM 1850 CD ARG A 119 -43.469 10.074 -21.221 1.00 1.00 C ATOM 1851 NE ARG A 119 -44.674 10.378 -20.445 1.00 1.00 N ATOM 1852 CZ ARG A 119 -45.920 10.475 -20.942 1.00 1.00 C ATOM 1853 NH1 ARG A 119 -46.158 10.238 -22.226 1.00 1.00 N ATOM 1854 NH2 ARG A 119 -46.920 10.810 -20.139 1.00 1.00 N ATOM 0 H ARG A 119 -40.254 9.282 -18.908 1.00 1.00 H new ATOM 0 HA ARG A 119 -38.818 10.423 -21.201 1.00 1.00 H new ATOM 0 HB2 ARG A 119 -40.995 10.693 -22.166 1.00 1.00 H new ATOM 0 HB3 ARG A 119 -40.912 9.062 -21.530 1.00 1.00 H new ATOM 0 HG2 ARG A 119 -42.201 9.745 -19.534 1.00 1.00 H new ATOM 0 HG3 ARG A 119 -42.232 11.404 -20.097 1.00 1.00 H new ATOM 0 HD2 ARG A 119 -43.467 10.663 -22.138 1.00 1.00 H new ATOM 0 HD3 ARG A 119 -43.479 9.025 -21.516 1.00 1.00 H new ATOM 0 HE ARG A 119 -44.558 10.529 -19.443 1.00 1.00 H new ATOM 0 HH11 ARG A 119 -45.392 9.979 -22.847 1.00 1.00 H new ATOM 0 HH12 ARG A 119 -47.107 10.315 -22.591 1.00 1.00 H new ATOM 0 HH21 ARG A 119 -46.742 10.992 -19.151 1.00 1.00 H new ATOM 0 HH22 ARG A 119 -47.868 10.886 -20.509 1.00 1.00 H new ATOM 1868 N GLU A 120 -39.801 12.858 -20.732 1.00 1.00 N ATOM 1869 CA GLU A 120 -40.069 14.175 -20.242 1.00 1.00 C ATOM 1870 C GLU A 120 -41.574 14.382 -20.213 1.00 1.00 C ATOM 1871 O GLU A 120 -42.270 14.172 -21.219 1.00 1.00 O ATOM 1872 CB GLU A 120 -39.346 15.279 -21.029 1.00 1.00 C ATOM 1873 CG GLU A 120 -38.830 14.888 -22.401 1.00 1.00 C ATOM 1874 CD GLU A 120 -39.929 14.659 -23.397 1.00 1.00 C ATOM 1875 OE1 GLU A 120 -40.597 15.624 -23.782 1.00 1.00 O ATOM 1876 OE2 GLU A 120 -40.136 13.499 -23.812 1.00 1.00 O ATOM 0 H GLU A 120 -39.628 12.791 -21.735 1.00 1.00 H new ATOM 0 HA GLU A 120 -39.667 14.255 -19.232 1.00 1.00 H new ATOM 0 HB2 GLU A 120 -40.028 16.121 -21.146 1.00 1.00 H new ATOM 0 HB3 GLU A 120 -38.504 15.631 -20.433 1.00 1.00 H new ATOM 0 HG2 GLU A 120 -38.169 15.671 -22.771 1.00 1.00 H new ATOM 0 HG3 GLU A 120 -38.232 13.981 -22.313 1.00 1.00 H new ATOM 1883 N ASN A 121 -42.074 14.729 -19.070 1.00 1.00 N ATOM 1884 CA ASN A 121 -43.491 14.862 -18.874 1.00 1.00 C ATOM 1885 C ASN A 121 -43.830 16.246 -18.391 1.00 1.00 C ATOM 1886 O ASN A 121 -43.558 16.608 -17.241 1.00 1.00 O ATOM 1887 CB ASN A 121 -44.009 13.800 -17.880 1.00 1.00 C ATOM 1888 CG ASN A 121 -45.532 13.563 -17.942 1.00 1.00 C ATOM 1889 OD1 ASN A 121 -45.987 12.421 -17.926 1.00 1.00 O ATOM 1890 ND2 ASN A 121 -46.324 14.613 -17.984 1.00 1.00 N ATOM 0 H ASN A 121 -41.514 14.930 -18.241 1.00 1.00 H new ATOM 0 HA ASN A 121 -43.984 14.701 -19.833 1.00 1.00 H new ATOM 0 HB2 ASN A 121 -43.498 12.857 -18.075 1.00 1.00 H new ATOM 0 HB3 ASN A 121 -43.741 14.105 -16.868 1.00 1.00 H new ATOM 0 HD21 ASN A 121 -47.336 14.488 -18.004 1.00 1.00 H new ATOM 0 HD22 ASN A 121 -45.926 15.552 -17.997 1.00 1.00 H new ATOM 1897 N GLN A 122 -44.393 17.008 -19.258 1.00 1.00 N ATOM 1898 CA GLN A 122 -44.854 18.324 -18.942 1.00 1.00 C ATOM 1899 C GLN A 122 -46.304 18.233 -18.476 1.00 1.00 C ATOM 1900 O GLN A 122 -47.114 17.610 -19.185 1.00 1.00 O ATOM 1901 CB GLN A 122 -44.680 19.291 -20.159 1.00 1.00 C ATOM 1902 CG GLN A 122 -45.553 19.017 -21.406 1.00 1.00 C ATOM 1903 CD GLN A 122 -45.304 17.669 -22.083 1.00 1.00 C ATOM 1904 OE1 GLN A 122 -44.197 17.123 -22.055 1.00 1.00 O ATOM 1905 NE2 GLN A 122 -46.325 17.133 -22.697 1.00 1.00 N ATOM 1906 OXT GLN A 122 -46.623 18.726 -17.379 1.00 1.00 O ATOM 0 H GLN A 122 -44.552 16.735 -20.228 1.00 1.00 H new ATOM 0 HA GLN A 122 -44.253 18.745 -18.136 1.00 1.00 H new ATOM 0 HB2 GLN A 122 -44.887 20.305 -19.818 1.00 1.00 H new ATOM 0 HB3 GLN A 122 -43.634 19.265 -20.465 1.00 1.00 H new ATOM 0 HG2 GLN A 122 -46.602 19.073 -21.116 1.00 1.00 H new ATOM 0 HG3 GLN A 122 -45.380 19.810 -22.134 1.00 1.00 H new ATOM 0 HE21 GLN A 122 -47.226 17.611 -22.701 1.00 1.00 H new ATOM 0 HE22 GLN A 122 -46.221 16.237 -23.172 1.00 1.00 H new TER 1915 GLN A 122