USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1028 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 22 MET CE :methyl -123:sc= -6.2! (180deg=-6.79!) USER MOD Set 1.2: A 74 ASN : amide:sc= -4.34! C(o=-12!,f=-14!) USER MOD Set 1.3: A 77 TYR OH : rot 0:sc= -1.1 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 35:sc= 1.22 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 17:sc= 0.382 USER MOD Single : A 6 SER OG : rot 18:sc= 0.27 USER MOD Single : A 10 LYS NZ :NH3+ 162:sc= -0.457 (180deg=-0.866) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.846 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.619) USER MOD Single : A 33 TYR OH : rot -119:sc= 1.22 USER MOD Single : A 37 CYS SG : rot 170:sc= 0 USER MOD Single : A 39 HIS :FLIP no HD1:sc= 0.0654 F(o=-0.8,f=0.065) USER MOD Single : A 40 CYS SG : rot 60:sc= -1.38 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 47 TYR OH : rot 180:sc= -1.82 USER MOD Single : A 48 THR OG1 : rot 65:sc= 0.52 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot -94:sc= -1.01 USER MOD Single : A 55 LYS NZ :NH3+ 154:sc= -0.426 (180deg=-0.916) USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -164:sc= -0.313 (180deg=-1.05) USER MOD Single : A 68 THR OG1 : rot 160:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.53 K(o=-0.53,f=-1.3) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -2.91 K(o=-2.9,f=-6.9!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot -47:sc= 1.04 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0455 USER MOD Single : A 90 SER OG : rot 22:sc= 1.86 USER MOD Single : A 93 LYS NZ :NH3+ -131:sc= -5.21! (180deg=-6.69!) USER MOD Single : A 94 LYS NZ :NH3+ -137:sc= 0.405 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0145) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 108 HIS : no HD1:sc= -1.73 X(o=-1.7,f=-1.6) USER MOD Single : A 110 SER OG : rot -89:sc= 0.692 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 HIS :FLIP no HD1:sc= -3.34! C(o=-5.4!,f=-3.3!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= -0.048 USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 SER OG : rot 29:sc= 0.314 USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.405 -7.879 -23.905 1.00 0.00 N ATOM 2 CA GLY A 1 5.749 -7.856 -22.495 1.00 0.00 C ATOM 3 C GLY A 1 6.268 -6.504 -22.047 1.00 0.00 C ATOM 4 O GLY A 1 7.476 -6.303 -21.931 1.00 0.00 O ATOM 0 H1 GLY A 1 5.056 -8.824 -24.162 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.665 -7.173 -24.093 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.248 -7.656 -24.472 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.870 -8.118 -21.905 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.505 -8.616 -22.296 1.00 0.00 H new ATOM 8 N SER A 2 5.352 -5.574 -21.795 1.00 0.00 N ATOM 9 CA SER A 2 5.724 -4.233 -21.363 1.00 0.00 C ATOM 10 C SER A 2 4.516 -3.488 -20.803 1.00 0.00 C ATOM 11 O SER A 2 3.476 -3.389 -21.455 1.00 0.00 O ATOM 12 CB SER A 2 6.326 -3.447 -22.529 1.00 0.00 C ATOM 13 OG SER A 2 7.708 -3.727 -22.673 1.00 0.00 O ATOM 0 H SER A 2 4.347 -5.725 -21.883 1.00 0.00 H new ATOM 0 HA SER A 2 6.470 -4.326 -20.574 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.802 -3.700 -23.451 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.183 -2.379 -22.364 1.00 0.00 H new ATOM 0 HG SER A 2 7.878 -4.664 -22.442 1.00 0.00 H new ATOM 19 N SER A 3 4.661 -2.965 -19.589 1.00 0.00 N ATOM 20 CA SER A 3 3.581 -2.233 -18.939 1.00 0.00 C ATOM 21 C SER A 3 3.057 -1.121 -19.843 1.00 0.00 C ATOM 22 O SER A 3 1.850 -0.983 -20.040 1.00 0.00 O ATOM 23 CB SER A 3 4.064 -1.642 -17.612 1.00 0.00 C ATOM 24 OG SER A 3 4.247 -2.655 -16.639 1.00 0.00 O ATOM 0 H SER A 3 5.516 -3.035 -19.037 1.00 0.00 H new ATOM 0 HA SER A 3 2.768 -2.932 -18.743 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.002 -1.109 -17.768 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.339 -0.913 -17.250 1.00 0.00 H new ATOM 0 HG SER A 3 4.557 -2.252 -15.801 1.00 0.00 H new ATOM 30 N GLY A 4 3.974 -0.330 -20.390 1.00 0.00 N ATOM 31 CA GLY A 4 3.587 0.760 -21.267 1.00 0.00 C ATOM 32 C GLY A 4 2.984 1.927 -20.510 1.00 0.00 C ATOM 33 O GLY A 4 1.849 2.326 -20.772 1.00 0.00 O ATOM 0 H GLY A 4 4.979 -0.424 -20.242 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.460 1.103 -21.822 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.867 0.395 -21.999 1.00 0.00 H new ATOM 37 N SER A 5 3.743 2.474 -19.566 1.00 0.00 N ATOM 38 CA SER A 5 3.275 3.599 -18.765 1.00 0.00 C ATOM 39 C SER A 5 4.448 4.446 -18.279 1.00 0.00 C ATOM 40 O SER A 5 5.587 3.981 -18.235 1.00 0.00 O ATOM 41 CB SER A 5 2.464 3.097 -17.569 1.00 0.00 C ATOM 42 OG SER A 5 1.129 2.805 -17.944 1.00 0.00 O ATOM 0 H SER A 5 4.685 2.156 -19.337 1.00 0.00 H new ATOM 0 HA SER A 5 2.637 4.220 -19.393 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.933 2.203 -17.157 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.467 3.851 -16.781 1.00 0.00 H new ATOM 0 HG SER A 5 1.073 2.726 -18.919 1.00 0.00 H new ATOM 48 N SER A 6 4.159 5.691 -17.916 1.00 0.00 N ATOM 49 CA SER A 6 5.190 6.606 -17.437 1.00 0.00 C ATOM 50 C SER A 6 5.567 6.290 -15.993 1.00 0.00 C ATOM 51 O SER A 6 4.706 6.206 -15.119 1.00 0.00 O ATOM 52 CB SER A 6 4.707 8.053 -17.545 1.00 0.00 C ATOM 53 OG SER A 6 3.623 8.296 -16.666 1.00 0.00 O ATOM 0 H SER A 6 3.221 6.090 -17.944 1.00 0.00 H new ATOM 0 HA SER A 6 6.074 6.478 -18.062 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.527 8.732 -17.312 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.402 8.262 -18.570 1.00 0.00 H new ATOM 0 HG SER A 6 3.596 7.598 -15.979 1.00 0.00 H new ATOM 59 N GLY A 7 6.863 6.117 -15.752 1.00 0.00 N ATOM 60 CA GLY A 7 7.334 5.812 -14.413 1.00 0.00 C ATOM 61 C GLY A 7 7.226 4.337 -14.082 1.00 0.00 C ATOM 62 O GLY A 7 6.442 3.600 -14.680 1.00 0.00 O ATOM 0 H GLY A 7 7.595 6.183 -16.459 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.373 6.128 -14.316 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.757 6.387 -13.689 1.00 0.00 H new ATOM 66 N PRO A 8 8.030 3.884 -13.109 1.00 0.00 N ATOM 67 CA PRO A 8 8.041 2.483 -12.678 1.00 0.00 C ATOM 68 C PRO A 8 6.765 2.094 -11.939 1.00 0.00 C ATOM 69 O PRO A 8 6.128 1.092 -12.266 1.00 0.00 O ATOM 70 CB PRO A 8 9.247 2.410 -11.738 1.00 0.00 C ATOM 71 CG PRO A 8 9.416 3.801 -11.230 1.00 0.00 C ATOM 72 CD PRO A 8 8.991 4.706 -12.353 1.00 0.00 C ATOM 0 HA PRO A 8 8.100 1.797 -13.523 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.071 1.709 -10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.139 2.069 -12.264 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.807 3.969 -10.342 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.451 3.990 -10.947 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.531 5.621 -11.980 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.838 5.004 -12.971 1.00 0.00 H new ATOM 80 N VAL A 9 6.397 2.892 -10.942 1.00 0.00 N ATOM 81 CA VAL A 9 5.196 2.631 -10.158 1.00 0.00 C ATOM 82 C VAL A 9 3.939 2.796 -11.007 1.00 0.00 C ATOM 83 O VAL A 9 3.640 3.889 -11.488 1.00 0.00 O ATOM 84 CB VAL A 9 5.106 3.570 -8.941 1.00 0.00 C ATOM 85 CG1 VAL A 9 3.834 3.300 -8.151 1.00 0.00 C ATOM 86 CG2 VAL A 9 6.334 3.415 -8.057 1.00 0.00 C ATOM 0 H VAL A 9 6.913 3.725 -10.658 1.00 0.00 H new ATOM 0 HA VAL A 9 5.263 1.601 -9.809 1.00 0.00 H new ATOM 0 HB VAL A 9 5.072 4.599 -9.300 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.788 3.973 -7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.967 3.466 -8.790 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.835 2.268 -7.801 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.254 4.086 -7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.402 2.385 -7.705 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.228 3.662 -8.629 1.00 0.00 H new ATOM 96 N LYS A 10 3.206 1.702 -11.186 1.00 0.00 N ATOM 97 CA LYS A 10 1.980 1.724 -11.974 1.00 0.00 C ATOM 98 C LYS A 10 0.861 2.436 -11.222 1.00 0.00 C ATOM 99 O LYS A 10 0.696 2.254 -10.015 1.00 0.00 O ATOM 100 CB LYS A 10 1.547 0.297 -12.321 1.00 0.00 C ATOM 101 CG LYS A 10 0.078 0.179 -12.688 1.00 0.00 C ATOM 102 CD LYS A 10 -0.163 -0.960 -13.664 1.00 0.00 C ATOM 103 CE LYS A 10 -0.063 -0.489 -15.107 1.00 0.00 C ATOM 104 NZ LYS A 10 1.348 -0.238 -15.512 1.00 0.00 N ATOM 0 H LYS A 10 3.440 0.789 -10.796 1.00 0.00 H new ATOM 0 HA LYS A 10 2.180 2.272 -12.895 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.151 -0.065 -13.153 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.754 -0.353 -11.471 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.512 0.017 -11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.264 1.115 -13.129 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.565 -1.752 -13.487 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.149 -1.389 -13.488 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.502 -1.239 -15.765 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.645 0.424 -15.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.413 -0.219 -16.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.662 0.676 -15.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.956 -0.996 -15.141 1.00 0.00 H new ATOM 118 N VAL A 11 0.093 3.249 -11.941 1.00 0.00 N ATOM 119 CA VAL A 11 -1.012 3.987 -11.342 1.00 0.00 C ATOM 120 C VAL A 11 -2.322 3.219 -11.476 1.00 0.00 C ATOM 121 O VAL A 11 -2.576 2.577 -12.494 1.00 0.00 O ATOM 122 CB VAL A 11 -1.175 5.376 -11.987 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.185 5.994 -12.275 1.00 0.00 C ATOM 124 CG2 VAL A 11 -2.005 5.278 -13.258 1.00 0.00 C ATOM 0 H VAL A 11 0.216 3.413 -12.940 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.774 4.112 -10.286 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.701 6.024 -11.286 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.050 6.975 -12.731 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.741 6.100 -11.344 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.740 5.350 -12.958 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.110 6.268 -13.701 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.509 4.615 -13.966 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.991 4.881 -13.019 1.00 0.00 H new ATOM 134 N VAL A 12 -3.152 3.291 -10.440 1.00 0.00 N ATOM 135 CA VAL A 12 -4.438 2.605 -10.442 1.00 0.00 C ATOM 136 C VAL A 12 -5.567 3.550 -10.048 1.00 0.00 C ATOM 137 O VAL A 12 -5.421 4.362 -9.134 1.00 0.00 O ATOM 138 CB VAL A 12 -4.433 1.400 -9.481 1.00 0.00 C ATOM 139 CG1 VAL A 12 -5.794 0.721 -9.469 1.00 0.00 C ATOM 140 CG2 VAL A 12 -3.340 0.416 -9.868 1.00 0.00 C ATOM 0 H VAL A 12 -2.956 3.818 -9.589 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.605 2.249 -11.459 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.225 1.761 -8.474 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.771 -0.127 -8.785 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.552 1.432 -9.141 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.035 0.371 -10.473 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.350 -0.429 -9.179 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.515 0.059 -10.883 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -2.370 0.912 -9.820 1.00 0.00 H new ATOM 150 N VAL A 13 -6.695 3.440 -10.743 1.00 0.00 N ATOM 151 CA VAL A 13 -7.850 4.284 -10.465 1.00 0.00 C ATOM 152 C VAL A 13 -9.032 3.455 -9.977 1.00 0.00 C ATOM 153 O VAL A 13 -9.027 2.228 -10.076 1.00 0.00 O ATOM 154 CB VAL A 13 -8.276 5.081 -11.712 1.00 0.00 C ATOM 155 CG1 VAL A 13 -7.278 6.191 -12.004 1.00 0.00 C ATOM 156 CG2 VAL A 13 -8.423 4.156 -12.910 1.00 0.00 C ATOM 0 H VAL A 13 -6.833 2.774 -11.503 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.551 4.981 -9.682 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.245 5.540 -11.515 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.596 6.743 -12.889 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.228 6.869 -11.152 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.294 5.758 -12.181 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.724 4.736 -13.782 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.470 3.667 -13.111 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.180 3.402 -12.696 1.00 0.00 H new ATOM 166 N GLY A 14 -10.047 4.133 -9.449 1.00 0.00 N ATOM 167 CA GLY A 14 -11.223 3.442 -8.953 1.00 0.00 C ATOM 168 C GLY A 14 -11.834 2.520 -9.990 1.00 0.00 C ATOM 169 O GLY A 14 -12.363 1.461 -9.655 1.00 0.00 O ATOM 0 H GLY A 14 -10.076 5.148 -9.356 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.955 2.863 -8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.966 4.175 -8.640 1.00 0.00 H new ATOM 173 N LYS A 15 -11.763 2.924 -11.254 1.00 0.00 N ATOM 174 CA LYS A 15 -12.313 2.128 -12.344 1.00 0.00 C ATOM 175 C LYS A 15 -11.418 0.931 -12.650 1.00 0.00 C ATOM 176 O LYS A 15 -11.860 -0.053 -13.244 1.00 0.00 O ATOM 177 CB LYS A 15 -12.478 2.989 -13.599 1.00 0.00 C ATOM 178 CG LYS A 15 -11.263 2.974 -14.511 1.00 0.00 C ATOM 179 CD LYS A 15 -11.196 4.224 -15.371 1.00 0.00 C ATOM 180 CE LYS A 15 -10.081 4.133 -16.401 1.00 0.00 C ATOM 181 NZ LYS A 15 -10.206 5.184 -17.449 1.00 0.00 N ATOM 0 H LYS A 15 -11.329 3.799 -11.549 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.290 1.758 -12.033 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.346 2.639 -14.158 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -12.685 4.017 -13.300 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.357 2.896 -13.910 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.298 2.092 -15.151 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -12.150 4.370 -15.878 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.036 5.095 -14.736 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.117 4.231 -15.902 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.099 3.149 -16.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.427 5.088 -18.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.115 5.076 -17.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -10.163 6.124 -17.005 1.00 0.00 H new ATOM 195 N THR A 16 -10.157 1.021 -12.239 1.00 0.00 N ATOM 196 CA THR A 16 -9.200 -0.054 -12.468 1.00 0.00 C ATOM 197 C THR A 16 -8.562 -0.510 -11.161 1.00 0.00 C ATOM 198 O THR A 16 -7.446 -1.030 -11.152 1.00 0.00 O ATOM 199 CB THR A 16 -8.090 0.381 -13.444 1.00 0.00 C ATOM 200 OG1 THR A 16 -7.355 1.479 -12.892 1.00 0.00 O ATOM 201 CG2 THR A 16 -8.678 0.782 -14.788 1.00 0.00 C ATOM 0 H THR A 16 -9.775 1.828 -11.746 1.00 0.00 H new ATOM 0 HA THR A 16 -9.755 -0.883 -12.907 1.00 0.00 H new ATOM 0 HB THR A 16 -7.419 -0.464 -13.597 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.650 1.749 -13.518 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.875 1.085 -15.460 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.212 -0.065 -15.219 1.00 0.00 H new ATOM 0 HG23 THR A 16 -9.369 1.614 -14.649 1.00 0.00 H new ATOM 209 N PHE A 17 -9.277 -0.314 -10.059 1.00 0.00 N ATOM 210 CA PHE A 17 -8.780 -0.705 -8.745 1.00 0.00 C ATOM 211 C PHE A 17 -9.120 -2.163 -8.447 1.00 0.00 C ATOM 212 O PHE A 17 -8.245 -2.958 -8.104 1.00 0.00 O ATOM 213 CB PHE A 17 -9.372 0.199 -7.662 1.00 0.00 C ATOM 214 CG PHE A 17 -8.951 -0.178 -6.270 1.00 0.00 C ATOM 215 CD1 PHE A 17 -9.587 -1.207 -5.595 1.00 0.00 C ATOM 216 CD2 PHE A 17 -7.920 0.498 -5.637 1.00 0.00 C ATOM 217 CE1 PHE A 17 -9.202 -1.557 -4.315 1.00 0.00 C ATOM 218 CE2 PHE A 17 -7.531 0.152 -4.357 1.00 0.00 C ATOM 219 CZ PHE A 17 -8.173 -0.876 -3.694 1.00 0.00 C ATOM 0 H PHE A 17 -10.203 0.113 -10.049 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.696 -0.595 -8.747 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.074 1.229 -7.857 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.460 0.165 -7.726 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.393 -1.742 -6.075 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.415 1.304 -6.149 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -9.705 -2.362 -3.800 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.725 0.685 -3.875 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.871 -1.146 -2.693 1.00 0.00 H new ATOM 229 N ASP A 18 -10.397 -2.505 -8.581 1.00 0.00 N ATOM 230 CA ASP A 18 -10.854 -3.867 -8.327 1.00 0.00 C ATOM 231 C ASP A 18 -10.314 -4.827 -9.382 1.00 0.00 C ATOM 232 O ASP A 18 -10.497 -6.040 -9.284 1.00 0.00 O ATOM 233 CB ASP A 18 -12.382 -3.919 -8.307 1.00 0.00 C ATOM 234 CG ASP A 18 -12.956 -3.569 -6.947 1.00 0.00 C ATOM 235 OD1 ASP A 18 -12.290 -2.826 -6.196 1.00 0.00 O ATOM 236 OD2 ASP A 18 -14.070 -4.037 -6.636 1.00 0.00 O ATOM 0 H ASP A 18 -11.134 -1.859 -8.864 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.475 -4.176 -7.353 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.776 -3.229 -9.053 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.712 -4.918 -8.591 1.00 0.00 H new ATOM 241 N ALA A 19 -9.648 -4.275 -10.391 1.00 0.00 N ATOM 242 CA ALA A 19 -9.080 -5.083 -11.464 1.00 0.00 C ATOM 243 C ALA A 19 -7.593 -5.332 -11.235 1.00 0.00 C ATOM 244 O ALA A 19 -7.106 -6.448 -11.420 1.00 0.00 O ATOM 245 CB ALA A 19 -9.303 -4.406 -12.808 1.00 0.00 C ATOM 0 H ALA A 19 -9.488 -3.272 -10.488 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.587 -6.048 -11.467 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.874 -5.020 -13.600 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -10.372 -4.285 -12.981 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.823 -3.428 -12.807 1.00 0.00 H new ATOM 251 N ILE A 20 -6.878 -4.287 -10.833 1.00 0.00 N ATOM 252 CA ILE A 20 -5.446 -4.394 -10.579 1.00 0.00 C ATOM 253 C ILE A 20 -5.166 -4.625 -9.098 1.00 0.00 C ATOM 254 O ILE A 20 -4.708 -5.697 -8.702 1.00 0.00 O ATOM 255 CB ILE A 20 -4.696 -3.131 -11.041 1.00 0.00 C ATOM 256 CG1 ILE A 20 -4.826 -2.960 -12.556 1.00 0.00 C ATOM 257 CG2 ILE A 20 -3.233 -3.205 -10.634 1.00 0.00 C ATOM 258 CD1 ILE A 20 -4.357 -1.610 -13.054 1.00 0.00 C ATOM 0 H ILE A 20 -7.266 -3.357 -10.676 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.087 -5.249 -11.152 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.143 -2.263 -10.557 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.251 -3.741 -13.052 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -5.868 -3.102 -12.841 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.717 -2.305 -10.968 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.161 -3.284 -9.549 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.771 -4.079 -11.093 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.478 -1.559 -14.136 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.949 -0.824 -12.585 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.306 -1.473 -12.800 1.00 0.00 H new ATOM 270 N VAL A 21 -5.447 -3.613 -8.284 1.00 0.00 N ATOM 271 CA VAL A 21 -5.228 -3.706 -6.845 1.00 0.00 C ATOM 272 C VAL A 21 -5.878 -4.960 -6.271 1.00 0.00 C ATOM 273 O VAL A 21 -5.484 -5.445 -5.210 1.00 0.00 O ATOM 274 CB VAL A 21 -5.785 -2.471 -6.112 1.00 0.00 C ATOM 275 CG1 VAL A 21 -5.534 -2.580 -4.616 1.00 0.00 C ATOM 276 CG2 VAL A 21 -5.170 -1.197 -6.673 1.00 0.00 C ATOM 0 H VAL A 21 -5.827 -2.719 -8.596 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.150 -3.755 -6.691 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.862 -2.429 -6.273 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.934 -1.699 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.026 -3.472 -4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.462 -2.647 -4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.575 -0.334 -6.144 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.088 -1.228 -6.544 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.406 -1.116 -7.734 1.00 0.00 H new ATOM 286 N MET A 22 -6.875 -5.481 -6.979 1.00 0.00 N ATOM 287 CA MET A 22 -7.578 -6.680 -6.539 1.00 0.00 C ATOM 288 C MET A 22 -7.333 -7.838 -7.502 1.00 0.00 C ATOM 289 O MET A 22 -8.239 -8.620 -7.791 1.00 0.00 O ATOM 290 CB MET A 22 -9.079 -6.405 -6.426 1.00 0.00 C ATOM 291 CG MET A 22 -9.432 -5.401 -5.341 1.00 0.00 C ATOM 292 SD MET A 22 -9.208 -6.065 -3.680 1.00 0.00 S ATOM 293 CE MET A 22 -8.701 -4.594 -2.793 1.00 0.00 C ATOM 0 H MET A 22 -7.214 -5.092 -7.859 1.00 0.00 H new ATOM 0 HA MET A 22 -7.192 -6.958 -5.558 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.446 -6.037 -7.384 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.598 -7.342 -6.225 1.00 0.00 H new ATOM 0 HG2 MET A 22 -8.813 -4.512 -5.459 1.00 0.00 H new ATOM 0 HG3 MET A 22 -10.468 -5.087 -5.466 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.734 -4.768 -2.322 1.00 0.00 H new ATOM 0 HE2 MET A 22 -8.621 -3.759 -3.489 1.00 0.00 H new ATOM 0 HE3 MET A 22 -9.440 -4.358 -2.027 1.00 0.00 H new ATOM 303 N ASP A 23 -6.104 -7.940 -7.997 1.00 0.00 N ATOM 304 CA ASP A 23 -5.740 -9.002 -8.927 1.00 0.00 C ATOM 305 C ASP A 23 -5.334 -10.266 -8.176 1.00 0.00 C ATOM 306 O ASP A 23 -4.283 -10.329 -7.539 1.00 0.00 O ATOM 307 CB ASP A 23 -4.598 -8.545 -9.835 1.00 0.00 C ATOM 308 CG ASP A 23 -5.087 -8.092 -11.197 1.00 0.00 C ATOM 309 OD1 ASP A 23 -6.126 -8.610 -11.657 1.00 0.00 O ATOM 310 OD2 ASP A 23 -4.430 -7.220 -11.803 1.00 0.00 O ATOM 0 H ASP A 23 -5.343 -7.300 -7.769 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.612 -9.229 -9.540 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.061 -7.727 -9.355 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -3.888 -9.363 -9.960 1.00 0.00 H new ATOM 315 N PRO A 24 -6.187 -11.299 -8.251 1.00 0.00 N ATOM 316 CA PRO A 24 -5.939 -12.581 -7.584 1.00 0.00 C ATOM 317 C PRO A 24 -4.792 -13.355 -8.224 1.00 0.00 C ATOM 318 O PRO A 24 -4.503 -14.488 -7.839 1.00 0.00 O ATOM 319 CB PRO A 24 -7.259 -13.335 -7.762 1.00 0.00 C ATOM 320 CG PRO A 24 -7.872 -12.741 -8.983 1.00 0.00 C ATOM 321 CD PRO A 24 -7.459 -11.295 -8.992 1.00 0.00 C ATOM 0 HA PRO A 24 -5.646 -12.449 -6.543 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.091 -14.405 -7.884 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.906 -13.211 -6.894 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.525 -13.251 -9.882 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.958 -12.837 -8.961 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.331 -10.920 -10.007 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.203 -10.662 -8.509 1.00 0.00 H new ATOM 329 N LYS A 25 -4.141 -12.736 -9.203 1.00 0.00 N ATOM 330 CA LYS A 25 -3.023 -13.366 -9.896 1.00 0.00 C ATOM 331 C LYS A 25 -1.709 -13.090 -9.173 1.00 0.00 C ATOM 332 O LYS A 25 -0.859 -13.972 -9.050 1.00 0.00 O ATOM 333 CB LYS A 25 -2.940 -12.860 -11.338 1.00 0.00 C ATOM 334 CG LYS A 25 -4.160 -13.204 -12.175 1.00 0.00 C ATOM 335 CD LYS A 25 -3.842 -13.183 -13.660 1.00 0.00 C ATOM 336 CE LYS A 25 -5.107 -13.117 -14.501 1.00 0.00 C ATOM 337 NZ LYS A 25 -4.859 -12.489 -15.829 1.00 0.00 N ATOM 0 H LYS A 25 -4.368 -11.799 -9.535 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.193 -14.443 -9.904 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.811 -11.778 -11.327 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.054 -13.282 -11.812 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.528 -14.191 -11.895 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.959 -12.494 -11.963 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.209 -12.325 -13.885 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.275 -14.075 -13.924 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.501 -14.123 -14.643 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.869 -12.549 -13.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.746 -12.463 -16.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.507 -11.520 -15.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.151 -13.045 -16.349 1.00 0.00 H new ATOM 351 N LYS A 26 -1.549 -11.861 -8.695 1.00 0.00 N ATOM 352 CA LYS A 26 -0.340 -11.469 -7.981 1.00 0.00 C ATOM 353 C LYS A 26 -0.646 -10.397 -6.939 1.00 0.00 C ATOM 354 O LYS A 26 -1.577 -9.609 -7.102 1.00 0.00 O ATOM 355 CB LYS A 26 0.713 -10.953 -8.964 1.00 0.00 C ATOM 356 CG LYS A 26 0.207 -9.844 -9.871 1.00 0.00 C ATOM 357 CD LYS A 26 1.352 -9.016 -10.431 1.00 0.00 C ATOM 358 CE LYS A 26 1.909 -9.628 -11.708 1.00 0.00 C ATOM 359 NZ LYS A 26 3.363 -9.350 -11.867 1.00 0.00 N ATOM 0 H LYS A 26 -2.242 -11.119 -8.789 1.00 0.00 H new ATOM 0 HA LYS A 26 0.050 -12.348 -7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.573 -10.588 -8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.062 -11.783 -9.579 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.366 -10.276 -10.691 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.472 -9.198 -9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.005 -8.003 -10.633 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.145 -8.939 -9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.744 -10.705 -11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.367 -9.232 -12.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.780 -10.046 -12.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.493 -8.393 -12.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.832 -9.417 -10.941 1.00 0.00 H new ATOM 373 N ASP A 27 0.144 -10.373 -5.872 1.00 0.00 N ATOM 374 CA ASP A 27 -0.041 -9.396 -4.805 1.00 0.00 C ATOM 375 C ASP A 27 0.305 -7.992 -5.288 1.00 0.00 C ATOM 376 O ASP A 27 1.408 -7.747 -5.777 1.00 0.00 O ATOM 377 CB ASP A 27 0.821 -9.760 -3.595 1.00 0.00 C ATOM 378 CG ASP A 27 0.579 -11.179 -3.117 1.00 0.00 C ATOM 379 OD1 ASP A 27 -0.034 -11.963 -3.871 1.00 0.00 O ATOM 380 OD2 ASP A 27 1.003 -11.504 -1.989 1.00 0.00 O ATOM 0 H ASP A 27 0.919 -11.019 -5.722 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.090 -9.411 -4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.873 -9.641 -3.853 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.612 -9.065 -2.782 1.00 0.00 H new ATOM 385 N VAL A 28 -0.644 -7.072 -5.149 1.00 0.00 N ATOM 386 CA VAL A 28 -0.440 -5.692 -5.571 1.00 0.00 C ATOM 387 C VAL A 28 -0.454 -4.744 -4.377 1.00 0.00 C ATOM 388 O VAL A 28 -1.413 -4.716 -3.604 1.00 0.00 O ATOM 389 CB VAL A 28 -1.517 -5.247 -6.578 1.00 0.00 C ATOM 390 CG1 VAL A 28 -1.300 -3.799 -6.988 1.00 0.00 C ATOM 391 CG2 VAL A 28 -1.517 -6.160 -7.796 1.00 0.00 C ATOM 0 H VAL A 28 -1.563 -7.258 -4.747 1.00 0.00 H new ATOM 0 HA VAL A 28 0.537 -5.650 -6.053 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.492 -5.321 -6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.071 -3.503 -7.700 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.355 -3.159 -6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.319 -3.695 -7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.284 -5.831 -8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.541 -6.120 -8.280 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.726 -7.183 -7.484 1.00 0.00 H new ATOM 401 N LEU A 29 0.614 -3.968 -4.232 1.00 0.00 N ATOM 402 CA LEU A 29 0.725 -3.017 -3.132 1.00 0.00 C ATOM 403 C LEU A 29 0.192 -1.647 -3.540 1.00 0.00 C ATOM 404 O LEU A 29 0.866 -0.893 -4.242 1.00 0.00 O ATOM 405 CB LEU A 29 2.182 -2.896 -2.680 1.00 0.00 C ATOM 406 CG LEU A 29 2.439 -1.993 -1.474 1.00 0.00 C ATOM 407 CD1 LEU A 29 2.301 -2.779 -0.179 1.00 0.00 C ATOM 408 CD2 LEU A 29 3.817 -1.354 -1.569 1.00 0.00 C ATOM 0 H LEU A 29 1.416 -3.979 -4.863 1.00 0.00 H new ATOM 0 HA LEU A 29 0.123 -3.388 -2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.553 -3.894 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.772 -2.525 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 29 1.692 -1.199 -1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.488 -2.119 0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.293 -3.187 -0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.024 -3.595 -0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.982 -0.715 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.578 -2.133 -1.595 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.879 -0.756 -2.478 1.00 0.00 H new ATOM 420 N ILE A 30 -1.019 -1.332 -3.094 1.00 0.00 N ATOM 421 CA ILE A 30 -1.640 -0.052 -3.410 1.00 0.00 C ATOM 422 C ILE A 30 -1.316 0.993 -2.348 1.00 0.00 C ATOM 423 O ILE A 30 -1.346 0.707 -1.152 1.00 0.00 O ATOM 424 CB ILE A 30 -3.169 -0.184 -3.535 1.00 0.00 C ATOM 425 CG1 ILE A 30 -3.757 1.059 -4.206 1.00 0.00 C ATOM 426 CG2 ILE A 30 -3.796 -0.400 -2.165 1.00 0.00 C ATOM 427 CD1 ILE A 30 -3.099 1.403 -5.524 1.00 0.00 C ATOM 0 H ILE A 30 -1.590 -1.946 -2.513 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.232 0.269 -4.368 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.394 -1.050 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.823 0.903 -4.371 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.661 1.908 -3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.877 -0.491 -2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.396 -1.312 -1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.564 0.448 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.566 2.294 -5.942 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.038 1.592 -5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.218 0.571 -6.218 1.00 0.00 H new ATOM 439 N GLU A 31 -1.008 2.207 -2.795 1.00 0.00 N ATOM 440 CA GLU A 31 -0.679 3.296 -1.882 1.00 0.00 C ATOM 441 C GLU A 31 -1.480 4.550 -2.221 1.00 0.00 C ATOM 442 O GLU A 31 -1.246 5.191 -3.245 1.00 0.00 O ATOM 443 CB GLU A 31 0.819 3.603 -1.938 1.00 0.00 C ATOM 444 CG GLU A 31 1.238 4.752 -1.037 1.00 0.00 C ATOM 445 CD GLU A 31 1.058 6.106 -1.696 1.00 0.00 C ATOM 446 OE1 GLU A 31 1.990 6.551 -2.400 1.00 0.00 O ATOM 447 OE2 GLU A 31 -0.012 6.721 -1.508 1.00 0.00 O ATOM 0 H GLU A 31 -0.979 2.461 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.940 2.981 -0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.375 2.709 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.095 3.839 -2.966 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.654 4.719 -0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.283 4.625 -0.755 1.00 0.00 H new ATOM 454 N PHE A 32 -2.426 4.893 -1.353 1.00 0.00 N ATOM 455 CA PHE A 32 -3.263 6.069 -1.560 1.00 0.00 C ATOM 456 C PHE A 32 -2.490 7.348 -1.253 1.00 0.00 C ATOM 457 O PHE A 32 -2.141 7.614 -0.102 1.00 0.00 O ATOM 458 CB PHE A 32 -4.513 5.992 -0.681 1.00 0.00 C ATOM 459 CG PHE A 32 -5.214 4.665 -0.750 1.00 0.00 C ATOM 460 CD1 PHE A 32 -5.551 4.108 -1.972 1.00 0.00 C ATOM 461 CD2 PHE A 32 -5.536 3.976 0.408 1.00 0.00 C ATOM 462 CE1 PHE A 32 -6.196 2.887 -2.040 1.00 0.00 C ATOM 463 CE2 PHE A 32 -6.180 2.755 0.347 1.00 0.00 C ATOM 464 CZ PHE A 32 -6.512 2.210 -0.878 1.00 0.00 C ATOM 0 H PHE A 32 -2.632 4.373 -0.500 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.564 6.090 -2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.233 6.193 0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.207 6.777 -0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.307 4.634 -2.883 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.281 4.398 1.369 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.452 2.463 -3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.424 2.227 1.257 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.017 1.257 -0.927 1.00 0.00 H new ATOM 474 N TYR A 33 -2.225 8.135 -2.289 1.00 0.00 N ATOM 475 CA TYR A 33 -1.490 9.384 -2.132 1.00 0.00 C ATOM 476 C TYR A 33 -2.370 10.581 -2.480 1.00 0.00 C ATOM 477 O TYR A 33 -3.267 10.484 -3.316 1.00 0.00 O ATOM 478 CB TYR A 33 -0.242 9.381 -3.017 1.00 0.00 C ATOM 479 CG TYR A 33 -0.545 9.510 -4.492 1.00 0.00 C ATOM 480 CD1 TYR A 33 -0.774 10.753 -5.068 1.00 0.00 C ATOM 481 CD2 TYR A 33 -0.604 8.388 -5.310 1.00 0.00 C ATOM 482 CE1 TYR A 33 -1.052 10.876 -6.416 1.00 0.00 C ATOM 483 CE2 TYR A 33 -0.879 8.501 -6.659 1.00 0.00 C ATOM 484 CZ TYR A 33 -1.103 9.747 -7.207 1.00 0.00 C ATOM 485 OH TYR A 33 -1.380 9.864 -8.550 1.00 0.00 O ATOM 0 H TYR A 33 -2.508 7.930 -3.247 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.187 9.469 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.409 10.202 -2.715 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.311 8.457 -2.848 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.734 11.639 -4.452 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.432 7.411 -4.884 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.228 11.850 -6.848 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.918 7.619 -7.281 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.202 9.373 -8.759 1.00 0.00 H new ATOM 495 N ALA A 34 -2.105 11.710 -1.831 1.00 0.00 N ATOM 496 CA ALA A 34 -2.870 12.927 -2.072 1.00 0.00 C ATOM 497 C ALA A 34 -1.993 14.013 -2.687 1.00 0.00 C ATOM 498 O ALA A 34 -0.919 14.339 -2.181 1.00 0.00 O ATOM 499 CB ALA A 34 -3.496 13.422 -0.776 1.00 0.00 C ATOM 0 H ALA A 34 -1.366 11.807 -1.134 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.665 12.694 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.064 14.331 -0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.162 12.656 -0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.711 13.633 -0.050 1.00 0.00 H new ATOM 505 N PRO A 35 -2.460 14.589 -3.805 1.00 0.00 N ATOM 506 CA PRO A 35 -1.734 15.647 -4.513 1.00 0.00 C ATOM 507 C PRO A 35 -1.711 16.957 -3.732 1.00 0.00 C ATOM 508 O PRO A 35 -0.944 17.866 -4.050 1.00 0.00 O ATOM 509 CB PRO A 35 -2.527 15.813 -5.812 1.00 0.00 C ATOM 510 CG PRO A 35 -3.902 15.347 -5.478 1.00 0.00 C ATOM 511 CD PRO A 35 -3.733 14.251 -4.464 1.00 0.00 C ATOM 0 HA PRO A 35 -0.686 15.389 -4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.530 16.851 -6.144 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.094 15.222 -6.619 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.503 16.162 -5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.416 14.981 -6.366 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.560 14.230 -3.754 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.693 13.269 -4.936 1.00 0.00 H new ATOM 519 N TRP A 36 -2.553 17.045 -2.709 1.00 0.00 N ATOM 520 CA TRP A 36 -2.629 18.244 -1.883 1.00 0.00 C ATOM 521 C TRP A 36 -1.869 18.052 -0.575 1.00 0.00 C ATOM 522 O TRP A 36 -1.574 19.018 0.130 1.00 0.00 O ATOM 523 CB TRP A 36 -4.088 18.598 -1.592 1.00 0.00 C ATOM 524 CG TRP A 36 -4.918 17.415 -1.193 1.00 0.00 C ATOM 525 CD1 TRP A 36 -5.757 16.695 -1.995 1.00 0.00 C ATOM 526 CD2 TRP A 36 -4.988 16.816 0.105 1.00 0.00 C ATOM 527 NE1 TRP A 36 -6.346 15.685 -1.272 1.00 0.00 N ATOM 528 CE2 TRP A 36 -5.890 15.737 0.018 1.00 0.00 C ATOM 529 CE3 TRP A 36 -4.376 17.085 1.332 1.00 0.00 C ATOM 530 CZ2 TRP A 36 -6.193 14.931 1.112 1.00 0.00 C ATOM 531 CZ3 TRP A 36 -4.678 16.284 2.417 1.00 0.00 C ATOM 532 CH2 TRP A 36 -5.579 15.217 2.301 1.00 0.00 C ATOM 0 H TRP A 36 -3.193 16.300 -2.432 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.168 19.064 -2.434 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.122 19.342 -0.796 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.526 19.058 -2.477 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.932 16.890 -3.043 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.014 15.007 -1.637 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.679 17.904 1.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.888 14.109 1.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.212 16.484 3.370 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -5.793 14.608 3.167 1.00 0.00 H new ATOM 543 N CYS A 37 -1.555 16.801 -0.256 1.00 0.00 N ATOM 544 CA CYS A 37 -0.829 16.483 0.968 1.00 0.00 C ATOM 545 C CYS A 37 0.677 16.503 0.729 1.00 0.00 C ATOM 546 O CYS A 37 1.175 15.880 -0.207 1.00 0.00 O ATOM 547 CB CYS A 37 -1.255 15.113 1.497 1.00 0.00 C ATOM 548 SG CYS A 37 -0.981 14.888 3.270 1.00 0.00 S ATOM 0 H CYS A 37 -1.792 15.991 -0.828 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.070 17.243 1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.313 14.966 1.282 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.709 14.341 0.955 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.562 13.794 3.663 1.00 0.00 H new ATOM 554 N GLY A 38 1.397 17.227 1.581 1.00 0.00 N ATOM 555 CA GLY A 38 2.839 17.316 1.444 1.00 0.00 C ATOM 556 C GLY A 38 3.543 16.047 1.881 1.00 0.00 C ATOM 557 O GLY A 38 4.473 15.585 1.220 1.00 0.00 O ATOM 0 H GLY A 38 1.007 17.753 2.363 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.090 17.527 0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.206 18.154 2.037 1.00 0.00 H new ATOM 561 N HIS A 39 3.100 15.482 2.999 1.00 0.00 N ATOM 562 CA HIS A 39 3.695 14.258 3.525 1.00 0.00 C ATOM 563 C HIS A 39 3.815 13.200 2.432 1.00 0.00 C ATOM 564 O HIS A 39 4.637 12.287 2.526 1.00 0.00 O ATOM 565 CB HIS A 39 2.860 13.717 4.686 1.00 0.00 C ATOM 566 CG HIS A 39 2.767 14.659 5.846 1.00 0.00 C ATOM 567 ND1 HIS A 39 2.165 15.866 5.961 1.00 0.00 N flip ATOM 568 CD2 HIS A 39 3.338 14.399 7.074 1.00 0.00 C flip ATOM 569 CE1 HIS A 39 2.381 16.308 7.243 1.00 0.00 C flip ATOM 570 NE2 HIS A 39 3.091 15.404 7.894 1.00 0.00 N flip ATOM 0 H HIS A 39 2.331 15.852 3.558 1.00 0.00 H new ATOM 0 HA HIS A 39 4.695 14.496 3.888 1.00 0.00 H new ATOM 0 HB2 HIS A 39 1.855 13.495 4.327 1.00 0.00 H new ATOM 0 HB3 HIS A 39 3.292 12.776 5.026 1.00 0.00 H new ATOM 0 HD2 HIS A 39 3.900 13.512 7.326 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.028 17.243 7.653 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.396 15.471 8.865 1.00 0.00 H new ATOM 579 N CYS A 40 2.990 13.327 1.399 1.00 0.00 N ATOM 580 CA CYS A 40 3.003 12.381 0.289 1.00 0.00 C ATOM 581 C CYS A 40 4.072 12.754 -0.732 1.00 0.00 C ATOM 582 O CYS A 40 4.819 11.898 -1.207 1.00 0.00 O ATOM 583 CB CYS A 40 1.631 12.335 -0.385 1.00 0.00 C ATOM 584 SG CYS A 40 0.324 11.631 0.648 1.00 0.00 S ATOM 0 H CYS A 40 2.304 14.076 1.307 1.00 0.00 H new ATOM 0 HA CYS A 40 3.237 11.394 0.688 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.346 13.347 -0.674 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.708 11.752 -1.302 1.00 0.00 H new ATOM 0 HG CYS A 40 0.197 12.340 1.730 1.00 0.00 H new ATOM 590 N LYS A 41 4.140 14.038 -1.068 1.00 0.00 N ATOM 591 CA LYS A 41 5.117 14.527 -2.033 1.00 0.00 C ATOM 592 C LYS A 41 6.518 14.031 -1.688 1.00 0.00 C ATOM 593 O LYS A 41 7.272 13.617 -2.567 1.00 0.00 O ATOM 594 CB LYS A 41 5.102 16.057 -2.075 1.00 0.00 C ATOM 595 CG LYS A 41 3.717 16.646 -2.279 1.00 0.00 C ATOM 596 CD LYS A 41 3.787 18.104 -2.700 1.00 0.00 C ATOM 597 CE LYS A 41 3.822 19.031 -1.494 1.00 0.00 C ATOM 598 NZ LYS A 41 4.034 20.450 -1.892 1.00 0.00 N ATOM 0 H LYS A 41 3.529 14.759 -0.685 1.00 0.00 H new ATOM 0 HA LYS A 41 4.845 14.140 -3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.518 16.442 -1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.754 16.396 -2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.185 16.072 -3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.145 16.560 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.676 18.265 -3.310 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.925 18.346 -3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.886 18.944 -0.942 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.620 18.720 -0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.052 21.050 -1.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.939 20.537 -2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.259 20.755 -2.515 1.00 0.00 H new ATOM 612 N GLN A 42 6.857 14.076 -0.403 1.00 0.00 N ATOM 613 CA GLN A 42 8.167 13.631 0.057 1.00 0.00 C ATOM 614 C GLN A 42 8.360 12.142 -0.212 1.00 0.00 C ATOM 615 O GLN A 42 9.489 11.652 -0.267 1.00 0.00 O ATOM 616 CB GLN A 42 8.331 13.917 1.550 1.00 0.00 C ATOM 617 CG GLN A 42 7.890 12.769 2.442 1.00 0.00 C ATOM 618 CD GLN A 42 8.167 13.029 3.910 1.00 0.00 C ATOM 619 OE1 GLN A 42 8.108 14.169 4.371 1.00 0.00 O ATOM 620 NE2 GLN A 42 8.471 11.971 4.652 1.00 0.00 N ATOM 0 H GLN A 42 6.243 14.416 0.337 1.00 0.00 H new ATOM 0 HA GLN A 42 8.926 14.184 -0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.377 14.144 1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.756 14.807 1.806 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.823 12.595 2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.404 11.858 2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.508 11.044 4.228 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.667 12.085 5.646 1.00 0.00 H new ATOM 629 N LEU A 43 7.253 11.427 -0.378 1.00 0.00 N ATOM 630 CA LEU A 43 7.301 9.993 -0.640 1.00 0.00 C ATOM 631 C LEU A 43 7.228 9.711 -2.138 1.00 0.00 C ATOM 632 O LEU A 43 7.786 8.726 -2.620 1.00 0.00 O ATOM 633 CB LEU A 43 6.152 9.284 0.080 1.00 0.00 C ATOM 634 CG LEU A 43 6.068 7.770 -0.118 1.00 0.00 C ATOM 635 CD1 LEU A 43 7.193 7.071 0.629 1.00 0.00 C ATOM 636 CD2 LEU A 43 4.715 7.247 0.341 1.00 0.00 C ATOM 0 H LEU A 43 6.311 11.817 -0.336 1.00 0.00 H new ATOM 0 HA LEU A 43 8.249 9.611 -0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.239 9.486 1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.213 9.726 -0.253 1.00 0.00 H new ATOM 0 HG LEU A 43 6.177 7.555 -1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.117 5.994 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.153 7.424 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.116 7.293 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.673 6.168 0.193 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.577 7.474 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.925 7.724 -0.239 1.00 0.00 H new ATOM 648 N GLU A 44 6.540 10.583 -2.867 1.00 0.00 N ATOM 649 CA GLU A 44 6.396 10.428 -4.309 1.00 0.00 C ATOM 650 C GLU A 44 7.633 9.766 -4.911 1.00 0.00 C ATOM 651 O GLU A 44 7.554 8.736 -5.579 1.00 0.00 O ATOM 652 CB GLU A 44 6.159 11.787 -4.970 1.00 0.00 C ATOM 653 CG GLU A 44 4.690 12.143 -5.121 1.00 0.00 C ATOM 654 CD GLU A 44 4.479 13.463 -5.837 1.00 0.00 C ATOM 655 OE1 GLU A 44 5.144 13.689 -6.869 1.00 0.00 O ATOM 656 OE2 GLU A 44 3.650 14.268 -5.365 1.00 0.00 O ATOM 0 H GLU A 44 6.073 11.404 -2.482 1.00 0.00 H new ATOM 0 HA GLU A 44 5.534 9.787 -4.495 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.652 12.559 -4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.628 11.789 -5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.183 11.351 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.229 12.191 -4.135 1.00 0.00 H new ATOM 663 N PRO A 45 8.805 10.373 -4.668 1.00 0.00 N ATOM 664 CA PRO A 45 10.081 9.861 -5.177 1.00 0.00 C ATOM 665 C PRO A 45 10.500 8.564 -4.492 1.00 0.00 C ATOM 666 O PRO A 45 10.848 7.587 -5.155 1.00 0.00 O ATOM 667 CB PRO A 45 11.069 10.983 -4.847 1.00 0.00 C ATOM 668 CG PRO A 45 10.462 11.693 -3.686 1.00 0.00 C ATOM 669 CD PRO A 45 8.974 11.605 -3.879 1.00 0.00 C ATOM 0 HA PRO A 45 10.029 9.618 -6.238 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.052 10.584 -4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 45 11.204 11.654 -5.695 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.762 11.230 -2.746 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.790 12.732 -3.649 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.448 11.547 -2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.585 12.476 -4.406 1.00 0.00 H new ATOM 677 N ILE A 46 10.462 8.563 -3.164 1.00 0.00 N ATOM 678 CA ILE A 46 10.836 7.385 -2.391 1.00 0.00 C ATOM 679 C ILE A 46 10.110 6.143 -2.896 1.00 0.00 C ATOM 680 O ILE A 46 10.721 5.094 -3.103 1.00 0.00 O ATOM 681 CB ILE A 46 10.528 7.573 -0.894 1.00 0.00 C ATOM 682 CG1 ILE A 46 11.327 8.750 -0.331 1.00 0.00 C ATOM 683 CG2 ILE A 46 10.841 6.298 -0.125 1.00 0.00 C ATOM 684 CD1 ILE A 46 10.808 9.251 0.999 1.00 0.00 C ATOM 0 H ILE A 46 10.176 9.364 -2.601 1.00 0.00 H new ATOM 0 HA ILE A 46 11.910 7.252 -2.518 1.00 0.00 H new ATOM 0 HB ILE A 46 9.466 7.791 -0.781 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.368 8.450 -0.216 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.309 9.568 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.618 6.446 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.233 5.481 -0.513 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.896 6.052 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.422 10.085 1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.776 9.582 0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.852 8.446 1.733 1.00 0.00 H new ATOM 696 N TYR A 47 8.802 6.269 -3.095 1.00 0.00 N ATOM 697 CA TYR A 47 7.992 5.156 -3.575 1.00 0.00 C ATOM 698 C TYR A 47 8.462 4.693 -4.950 1.00 0.00 C ATOM 699 O TYR A 47 8.550 3.495 -5.220 1.00 0.00 O ATOM 700 CB TYR A 47 6.518 5.562 -3.638 1.00 0.00 C ATOM 701 CG TYR A 47 5.563 4.397 -3.498 1.00 0.00 C ATOM 702 CD1 TYR A 47 5.520 3.645 -2.330 1.00 0.00 C ATOM 703 CD2 TYR A 47 4.703 4.051 -4.533 1.00 0.00 C ATOM 704 CE1 TYR A 47 4.650 2.580 -2.199 1.00 0.00 C ATOM 705 CE2 TYR A 47 3.829 2.988 -4.409 1.00 0.00 C ATOM 706 CZ TYR A 47 3.806 2.256 -3.241 1.00 0.00 C ATOM 707 OH TYR A 47 2.937 1.197 -3.113 1.00 0.00 O ATOM 0 H TYR A 47 8.281 7.130 -2.931 1.00 0.00 H new ATOM 0 HA TYR A 47 8.106 4.328 -2.875 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.315 6.285 -2.848 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.328 6.065 -4.586 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.178 3.897 -1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.718 4.622 -5.449 1.00 0.00 H new ATOM 0 HE1 TYR A 47 4.631 2.004 -1.286 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.167 2.732 -5.223 1.00 0.00 H new ATOM 0 HH TYR A 47 2.412 1.103 -3.935 1.00 0.00 H new ATOM 717 N THR A 48 8.765 5.653 -5.819 1.00 0.00 N ATOM 718 CA THR A 48 9.227 5.346 -7.167 1.00 0.00 C ATOM 719 C THR A 48 10.297 4.260 -7.148 1.00 0.00 C ATOM 720 O THR A 48 10.168 3.237 -7.819 1.00 0.00 O ATOM 721 CB THR A 48 9.793 6.597 -7.865 1.00 0.00 C ATOM 722 OG1 THR A 48 8.762 7.577 -8.025 1.00 0.00 O ATOM 723 CG2 THR A 48 10.376 6.240 -9.224 1.00 0.00 C ATOM 0 H THR A 48 8.699 6.650 -5.613 1.00 0.00 H new ATOM 0 HA THR A 48 8.361 4.989 -7.724 1.00 0.00 H new ATOM 0 HB THR A 48 10.588 7.006 -7.242 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.463 7.885 -7.144 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.770 7.139 -9.698 1.00 0.00 H new ATOM 0 HG22 THR A 48 11.180 5.515 -9.096 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.596 5.810 -9.853 1.00 0.00 H new ATOM 731 N SER A 49 11.353 4.490 -6.374 1.00 0.00 N ATOM 732 CA SER A 49 12.447 3.532 -6.270 1.00 0.00 C ATOM 733 C SER A 49 11.959 2.212 -5.682 1.00 0.00 C ATOM 734 O SER A 49 12.464 1.142 -6.025 1.00 0.00 O ATOM 735 CB SER A 49 13.573 4.104 -5.405 1.00 0.00 C ATOM 736 OG SER A 49 14.426 4.941 -6.167 1.00 0.00 O ATOM 0 H SER A 49 11.474 5.331 -5.810 1.00 0.00 H new ATOM 0 HA SER A 49 12.829 3.343 -7.273 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.148 4.670 -4.577 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.152 3.289 -4.970 1.00 0.00 H new ATOM 0 HG SER A 49 15.136 5.295 -5.592 1.00 0.00 H new ATOM 742 N LEU A 50 10.974 2.295 -4.795 1.00 0.00 N ATOM 743 CA LEU A 50 10.416 1.107 -4.158 1.00 0.00 C ATOM 744 C LEU A 50 9.791 0.176 -5.193 1.00 0.00 C ATOM 745 O LEU A 50 9.789 -1.042 -5.026 1.00 0.00 O ATOM 746 CB LEU A 50 9.369 1.506 -3.117 1.00 0.00 C ATOM 747 CG LEU A 50 8.801 0.370 -2.267 1.00 0.00 C ATOM 748 CD1 LEU A 50 9.799 -0.049 -1.199 1.00 0.00 C ATOM 749 CD2 LEU A 50 7.482 0.787 -1.632 1.00 0.00 C ATOM 0 H LEU A 50 10.545 3.172 -4.500 1.00 0.00 H new ATOM 0 HA LEU A 50 11.229 0.576 -3.662 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.812 2.245 -2.450 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.543 1.996 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 50 8.615 -0.485 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.377 -0.859 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.719 -0.390 -1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.018 0.801 -0.552 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.092 -0.034 -1.030 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.643 1.658 -0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.765 1.036 -2.414 1.00 0.00 H new ATOM 761 N GLY A 51 9.264 0.761 -6.265 1.00 0.00 N ATOM 762 CA GLY A 51 8.645 -0.031 -7.312 1.00 0.00 C ATOM 763 C GLY A 51 9.640 -0.477 -8.365 1.00 0.00 C ATOM 764 O GLY A 51 9.788 -1.671 -8.625 1.00 0.00 O ATOM 0 H GLY A 51 9.255 1.768 -6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.172 -0.907 -6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.855 0.552 -7.786 1.00 0.00 H new ATOM 768 N LYS A 52 10.324 0.485 -8.976 1.00 0.00 N ATOM 769 CA LYS A 52 11.309 0.186 -10.008 1.00 0.00 C ATOM 770 C LYS A 52 12.310 -0.857 -9.520 1.00 0.00 C ATOM 771 O LYS A 52 12.864 -1.619 -10.311 1.00 0.00 O ATOM 772 CB LYS A 52 12.047 1.461 -10.422 1.00 0.00 C ATOM 773 CG LYS A 52 13.212 1.813 -9.512 1.00 0.00 C ATOM 774 CD LYS A 52 13.733 3.213 -9.788 1.00 0.00 C ATOM 775 CE LYS A 52 14.777 3.211 -10.894 1.00 0.00 C ATOM 776 NZ LYS A 52 15.145 4.592 -11.312 1.00 0.00 N ATOM 0 H LYS A 52 10.214 1.479 -8.774 1.00 0.00 H new ATOM 0 HA LYS A 52 10.781 -0.219 -10.872 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.416 1.343 -11.441 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.341 2.292 -10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.897 1.740 -8.471 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.016 1.090 -9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.904 3.862 -10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.167 3.627 -8.878 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.668 2.686 -10.551 1.00 0.00 H new ATOM 0 HE3 LYS A 52 14.394 2.661 -11.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.859 4.548 -12.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.299 5.085 -11.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.534 5.109 -10.498 1.00 0.00 H new ATOM 790 N LYS A 53 12.535 -0.886 -8.210 1.00 0.00 N ATOM 791 CA LYS A 53 13.466 -1.837 -7.615 1.00 0.00 C ATOM 792 C LYS A 53 12.798 -3.192 -7.402 1.00 0.00 C ATOM 793 O LYS A 53 13.394 -4.236 -7.666 1.00 0.00 O ATOM 794 CB LYS A 53 13.991 -1.301 -6.281 1.00 0.00 C ATOM 795 CG LYS A 53 13.059 -1.561 -5.111 1.00 0.00 C ATOM 796 CD LYS A 53 13.439 -0.727 -3.899 1.00 0.00 C ATOM 797 CE LYS A 53 14.878 -0.981 -3.477 1.00 0.00 C ATOM 798 NZ LYS A 53 15.040 -2.316 -2.837 1.00 0.00 N ATOM 0 H LYS A 53 12.085 -0.262 -7.541 1.00 0.00 H new ATOM 0 HA LYS A 53 14.302 -1.967 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 53 14.959 -1.757 -6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.157 -0.227 -6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.034 -1.333 -5.404 1.00 0.00 H new ATOM 0 HG3 LYS A 53 13.088 -2.619 -4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.307 0.331 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.769 -0.960 -3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 53 15.529 -0.914 -4.348 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.195 -0.204 -2.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.034 -2.452 -2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 14.438 -2.371 -1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.761 -3.059 -3.509 1.00 0.00 H new ATOM 812 N TYR A 54 11.558 -3.167 -6.927 1.00 0.00 N ATOM 813 CA TYR A 54 10.810 -4.393 -6.678 1.00 0.00 C ATOM 814 C TYR A 54 10.190 -4.924 -7.968 1.00 0.00 C ATOM 815 O TYR A 54 9.519 -5.956 -7.970 1.00 0.00 O ATOM 816 CB TYR A 54 9.717 -4.147 -5.638 1.00 0.00 C ATOM 817 CG TYR A 54 10.171 -4.382 -4.215 1.00 0.00 C ATOM 818 CD1 TYR A 54 10.889 -3.414 -3.524 1.00 0.00 C ATOM 819 CD2 TYR A 54 9.882 -5.574 -3.561 1.00 0.00 C ATOM 820 CE1 TYR A 54 11.307 -3.625 -2.225 1.00 0.00 C ATOM 821 CE2 TYR A 54 10.294 -5.793 -2.260 1.00 0.00 C ATOM 822 CZ TYR A 54 11.007 -4.816 -1.597 1.00 0.00 C ATOM 823 OH TYR A 54 11.420 -5.030 -0.302 1.00 0.00 O ATOM 0 H TYR A 54 11.049 -2.311 -6.707 1.00 0.00 H new ATOM 0 HA TYR A 54 11.505 -5.140 -6.295 1.00 0.00 H new ATOM 0 HB2 TYR A 54 9.362 -3.121 -5.732 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.870 -4.799 -5.852 1.00 0.00 H new ATOM 0 HD1 TYR A 54 11.124 -2.480 -4.012 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.326 -6.342 -4.078 1.00 0.00 H new ATOM 0 HE1 TYR A 54 11.866 -2.862 -1.704 1.00 0.00 H new ATOM 0 HE2 TYR A 54 10.059 -6.724 -1.765 1.00 0.00 H new ATOM 0 HH TYR A 54 12.281 -5.499 -0.306 1.00 0.00 H new ATOM 833 N LYS A 55 10.421 -4.210 -9.064 1.00 0.00 N ATOM 834 CA LYS A 55 9.888 -4.608 -10.362 1.00 0.00 C ATOM 835 C LYS A 55 10.430 -5.972 -10.778 1.00 0.00 C ATOM 836 O LYS A 55 9.739 -6.751 -11.433 1.00 0.00 O ATOM 837 CB LYS A 55 10.241 -3.562 -11.423 1.00 0.00 C ATOM 838 CG LYS A 55 9.197 -2.469 -11.570 1.00 0.00 C ATOM 839 CD LYS A 55 7.968 -2.967 -12.312 1.00 0.00 C ATOM 840 CE LYS A 55 6.858 -1.927 -12.314 1.00 0.00 C ATOM 841 NZ LYS A 55 5.515 -2.550 -12.471 1.00 0.00 N ATOM 0 H LYS A 55 10.974 -3.353 -9.080 1.00 0.00 H new ATOM 0 HA LYS A 55 8.804 -4.679 -10.276 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.198 -3.107 -11.168 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.371 -4.060 -12.384 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.906 -2.108 -10.584 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.628 -1.623 -12.105 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.237 -3.215 -13.339 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.608 -3.884 -11.846 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.889 -1.361 -11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.026 -1.218 -13.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.794 -1.933 -12.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.307 -2.677 -13.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.504 -3.475 -11.996 1.00 0.00 H new ATOM 855 N GLY A 56 11.670 -6.254 -10.392 1.00 0.00 N ATOM 856 CA GLY A 56 12.282 -7.525 -10.733 1.00 0.00 C ATOM 857 C GLY A 56 11.865 -8.640 -9.795 1.00 0.00 C ATOM 858 O GLY A 56 12.626 -9.577 -9.557 1.00 0.00 O ATOM 0 H GLY A 56 12.262 -5.625 -9.849 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.011 -7.793 -11.754 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.367 -7.421 -10.709 1.00 0.00 H new ATOM 862 N GLN A 57 10.653 -8.537 -9.258 1.00 0.00 N ATOM 863 CA GLN A 57 10.137 -9.544 -8.338 1.00 0.00 C ATOM 864 C GLN A 57 9.197 -10.507 -9.056 1.00 0.00 C ATOM 865 O GLN A 57 8.981 -10.396 -10.263 1.00 0.00 O ATOM 866 CB GLN A 57 9.407 -8.874 -7.173 1.00 0.00 C ATOM 867 CG GLN A 57 10.336 -8.387 -6.072 1.00 0.00 C ATOM 868 CD GLN A 57 10.643 -9.462 -5.049 1.00 0.00 C ATOM 869 OE1 GLN A 57 9.627 -9.872 -4.298 1.00 0.00 O flip ATOM 870 NE2 GLN A 57 11.780 -9.920 -4.934 1.00 0.00 N flip ATOM 0 H GLN A 57 10.011 -7.767 -9.444 1.00 0.00 H new ATOM 0 HA GLN A 57 10.982 -10.112 -7.950 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.833 -8.029 -7.553 1.00 0.00 H new ATOM 0 HB3 GLN A 57 8.693 -9.580 -6.749 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.268 -8.037 -6.517 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.882 -7.533 -5.570 1.00 0.00 H new ATOM 0 HE21 GLN A 57 12.531 -9.576 -5.532 1.00 0.00 H new ATOM 0 HE22 GLN A 57 11.971 -10.644 -4.241 1.00 0.00 H new ATOM 879 N LYS A 58 8.641 -11.452 -8.307 1.00 0.00 N ATOM 880 CA LYS A 58 7.723 -12.435 -8.870 1.00 0.00 C ATOM 881 C LYS A 58 6.298 -12.189 -8.385 1.00 0.00 C ATOM 882 O LYS A 58 6.024 -12.235 -7.185 1.00 0.00 O ATOM 883 CB LYS A 58 8.165 -13.851 -8.493 1.00 0.00 C ATOM 884 CG LYS A 58 9.399 -14.322 -9.242 1.00 0.00 C ATOM 885 CD LYS A 58 9.042 -14.876 -10.611 1.00 0.00 C ATOM 886 CE LYS A 58 9.288 -13.852 -11.709 1.00 0.00 C ATOM 887 NZ LYS A 58 10.727 -13.775 -12.084 1.00 0.00 N ATOM 0 H LYS A 58 8.810 -11.558 -7.307 1.00 0.00 H new ATOM 0 HA LYS A 58 7.741 -12.333 -9.955 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.364 -13.887 -7.422 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.346 -14.543 -8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.096 -13.492 -9.355 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.909 -15.089 -8.659 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.633 -15.771 -10.808 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.994 -15.177 -10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.697 -14.112 -12.587 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.947 -12.872 -11.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.853 -13.066 -12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.288 -13.502 -11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.046 -14.703 -12.427 1.00 0.00 H new ATOM 901 N ASP A 59 5.394 -11.931 -9.324 1.00 0.00 N ATOM 902 CA ASP A 59 3.996 -11.682 -8.991 1.00 0.00 C ATOM 903 C ASP A 59 3.873 -10.556 -7.969 1.00 0.00 C ATOM 904 O ASP A 59 3.178 -10.691 -6.962 1.00 0.00 O ATOM 905 CB ASP A 59 3.344 -12.954 -8.449 1.00 0.00 C ATOM 906 CG ASP A 59 4.056 -14.211 -8.908 1.00 0.00 C ATOM 907 OD1 ASP A 59 4.035 -14.495 -10.124 1.00 0.00 O ATOM 908 OD2 ASP A 59 4.636 -14.910 -8.051 1.00 0.00 O ATOM 0 H ASP A 59 5.604 -11.889 -10.321 1.00 0.00 H new ATOM 0 HA ASP A 59 3.480 -11.379 -9.902 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.339 -12.920 -7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.303 -12.991 -8.772 1.00 0.00 H new ATOM 913 N LEU A 60 4.553 -9.446 -8.234 1.00 0.00 N ATOM 914 CA LEU A 60 4.522 -8.296 -7.337 1.00 0.00 C ATOM 915 C LEU A 60 4.639 -6.992 -8.119 1.00 0.00 C ATOM 916 O LEU A 60 5.671 -6.712 -8.728 1.00 0.00 O ATOM 917 CB LEU A 60 5.653 -8.393 -6.312 1.00 0.00 C ATOM 918 CG LEU A 60 5.685 -7.300 -5.243 1.00 0.00 C ATOM 919 CD1 LEU A 60 4.867 -7.715 -4.030 1.00 0.00 C ATOM 920 CD2 LEU A 60 7.119 -6.991 -4.840 1.00 0.00 C ATOM 0 H LEU A 60 5.133 -9.318 -9.063 1.00 0.00 H new ATOM 0 HA LEU A 60 3.565 -8.300 -6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.582 -9.359 -5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.603 -8.379 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 60 5.243 -6.396 -5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.902 -6.925 -3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.833 -7.886 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.279 -8.632 -3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.123 -6.211 -4.079 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.587 -7.891 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.676 -6.649 -5.712 1.00 0.00 H new ATOM 932 N VAL A 61 3.575 -6.196 -8.095 1.00 0.00 N ATOM 933 CA VAL A 61 3.559 -4.919 -8.798 1.00 0.00 C ATOM 934 C VAL A 61 3.140 -3.785 -7.870 1.00 0.00 C ATOM 935 O VAL A 61 1.971 -3.675 -7.497 1.00 0.00 O ATOM 936 CB VAL A 61 2.607 -4.956 -10.008 1.00 0.00 C ATOM 937 CG1 VAL A 61 2.597 -3.613 -10.722 1.00 0.00 C ATOM 938 CG2 VAL A 61 3.002 -6.073 -10.963 1.00 0.00 C ATOM 0 H VAL A 61 2.712 -6.413 -7.596 1.00 0.00 H new ATOM 0 HA VAL A 61 4.575 -4.739 -9.150 1.00 0.00 H new ATOM 0 HB VAL A 61 1.598 -5.156 -9.647 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.919 -3.659 -11.574 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.262 -2.837 -10.033 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.603 -3.379 -11.071 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.319 -6.084 -11.812 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.019 -5.906 -11.318 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.952 -7.030 -10.444 1.00 0.00 H new ATOM 948 N ILE A 62 4.100 -2.944 -7.501 1.00 0.00 N ATOM 949 CA ILE A 62 3.829 -1.817 -6.617 1.00 0.00 C ATOM 950 C ILE A 62 3.154 -0.677 -7.371 1.00 0.00 C ATOM 951 O ILE A 62 3.801 0.055 -8.120 1.00 0.00 O ATOM 952 CB ILE A 62 5.121 -1.291 -5.963 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.651 -2.303 -4.946 1.00 0.00 C ATOM 954 CG2 ILE A 62 4.869 0.054 -5.299 1.00 0.00 C ATOM 955 CD1 ILE A 62 6.942 -1.874 -4.283 1.00 0.00 C ATOM 0 H ILE A 62 5.072 -3.022 -7.800 1.00 0.00 H new ATOM 0 HA ILE A 62 3.159 -2.181 -5.838 1.00 0.00 H new ATOM 0 HB ILE A 62 5.875 -1.155 -6.739 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.894 -2.465 -4.178 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.809 -3.259 -5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.791 0.412 -4.842 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.532 0.772 -6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.103 -0.057 -4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 62 7.259 -2.639 -3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 62 7.713 -1.740 -5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.785 -0.933 -3.755 1.00 0.00 H new ATOM 967 N ALA A 63 1.849 -0.530 -7.168 1.00 0.00 N ATOM 968 CA ALA A 63 1.086 0.523 -7.825 1.00 0.00 C ATOM 969 C ALA A 63 0.475 1.477 -6.804 1.00 0.00 C ATOM 970 O ALA A 63 0.316 1.132 -5.633 1.00 0.00 O ATOM 971 CB ALA A 63 0.000 -0.080 -8.703 1.00 0.00 C ATOM 0 H ALA A 63 1.298 -1.128 -6.553 1.00 0.00 H new ATOM 0 HA ALA A 63 1.769 1.094 -8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.562 0.719 -9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.457 -0.714 -9.463 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.674 -0.677 -8.089 1.00 0.00 H new ATOM 977 N LYS A 64 0.134 2.680 -7.255 1.00 0.00 N ATOM 978 CA LYS A 64 -0.461 3.684 -6.382 1.00 0.00 C ATOM 979 C LYS A 64 -1.793 4.172 -6.942 1.00 0.00 C ATOM 980 O LYS A 64 -2.141 3.878 -8.085 1.00 0.00 O ATOM 981 CB LYS A 64 0.494 4.867 -6.207 1.00 0.00 C ATOM 982 CG LYS A 64 0.882 5.535 -7.515 1.00 0.00 C ATOM 983 CD LYS A 64 1.925 6.618 -7.300 1.00 0.00 C ATOM 984 CE LYS A 64 2.573 7.036 -8.612 1.00 0.00 C ATOM 985 NZ LYS A 64 3.758 7.911 -8.391 1.00 0.00 N ATOM 0 H LYS A 64 0.260 2.983 -8.221 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.642 3.223 -5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.028 5.606 -5.556 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.397 4.523 -5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.270 4.786 -8.206 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.003 5.969 -7.980 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.460 7.485 -6.830 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.691 6.256 -6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.876 6.148 -9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.842 7.562 -9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.171 8.174 -9.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.465 8.770 -7.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.466 7.400 -7.826 1.00 0.00 H new ATOM 999 N MET A 65 -2.534 4.919 -6.130 1.00 0.00 N ATOM 1000 CA MET A 65 -3.827 5.450 -6.547 1.00 0.00 C ATOM 1001 C MET A 65 -4.191 6.691 -5.738 1.00 0.00 C ATOM 1002 O MET A 65 -3.722 6.871 -4.614 1.00 0.00 O ATOM 1003 CB MET A 65 -4.914 4.385 -6.387 1.00 0.00 C ATOM 1004 CG MET A 65 -6.305 4.878 -6.752 1.00 0.00 C ATOM 1005 SD MET A 65 -7.214 5.511 -5.329 1.00 0.00 S ATOM 1006 CE MET A 65 -8.686 4.492 -5.387 1.00 0.00 C ATOM 0 H MET A 65 -2.261 5.170 -5.180 1.00 0.00 H new ATOM 0 HA MET A 65 -3.756 5.731 -7.598 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.666 3.527 -7.012 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.920 4.036 -5.354 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.222 5.663 -7.504 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.868 4.062 -7.204 1.00 0.00 H new ATOM 0 HE1 MET A 65 -9.462 4.938 -4.765 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.040 4.423 -6.415 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.453 3.494 -5.016 1.00 0.00 H new ATOM 1016 N ASP A 66 -5.029 7.544 -6.318 1.00 0.00 N ATOM 1017 CA ASP A 66 -5.456 8.768 -5.651 1.00 0.00 C ATOM 1018 C ASP A 66 -6.821 8.582 -4.996 1.00 0.00 C ATOM 1019 O ASP A 66 -7.855 8.671 -5.657 1.00 0.00 O ATOM 1020 CB ASP A 66 -5.509 9.926 -6.648 1.00 0.00 C ATOM 1021 CG ASP A 66 -4.216 10.081 -7.424 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -3.677 9.056 -7.889 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -3.744 11.229 -7.567 1.00 0.00 O ATOM 0 H ASP A 66 -5.426 7.410 -7.248 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.728 9.001 -4.874 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.331 9.764 -7.345 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.722 10.852 -6.114 1.00 0.00 H new ATOM 1028 N ALA A 67 -6.816 8.321 -3.692 1.00 0.00 N ATOM 1029 CA ALA A 67 -8.053 8.122 -2.948 1.00 0.00 C ATOM 1030 C ALA A 67 -8.841 9.423 -2.837 1.00 0.00 C ATOM 1031 O ALA A 67 -10.069 9.411 -2.737 1.00 0.00 O ATOM 1032 CB ALA A 67 -7.753 7.565 -1.564 1.00 0.00 C ATOM 0 H ALA A 67 -5.969 8.243 -3.130 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.664 7.402 -3.492 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.686 7.421 -1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.238 6.609 -1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.119 8.265 -1.020 1.00 0.00 H new ATOM 1038 N THR A 68 -8.129 10.545 -2.854 1.00 0.00 N ATOM 1039 CA THR A 68 -8.761 11.854 -2.754 1.00 0.00 C ATOM 1040 C THR A 68 -9.748 12.077 -3.894 1.00 0.00 C ATOM 1041 O THR A 68 -10.783 12.718 -3.715 1.00 0.00 O ATOM 1042 CB THR A 68 -7.716 12.986 -2.766 1.00 0.00 C ATOM 1043 OG1 THR A 68 -7.098 13.068 -4.055 1.00 0.00 O ATOM 1044 CG2 THR A 68 -6.653 12.752 -1.703 1.00 0.00 C ATOM 0 H THR A 68 -7.113 10.573 -2.936 1.00 0.00 H new ATOM 0 HA THR A 68 -9.296 11.874 -1.805 1.00 0.00 H new ATOM 0 HB THR A 68 -8.226 13.924 -2.547 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.690 13.952 -4.167 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.926 13.564 -1.730 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.123 12.718 -0.720 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.147 11.806 -1.896 1.00 0.00 H new ATOM 1052 N ALA A 69 -9.421 11.544 -5.066 1.00 0.00 N ATOM 1053 CA ALA A 69 -10.280 11.682 -6.235 1.00 0.00 C ATOM 1054 C ALA A 69 -11.094 10.415 -6.472 1.00 0.00 C ATOM 1055 O ALA A 69 -12.287 10.478 -6.766 1.00 0.00 O ATOM 1056 CB ALA A 69 -9.449 12.015 -7.465 1.00 0.00 C ATOM 0 H ALA A 69 -8.567 11.012 -5.231 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.976 12.500 -6.048 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.104 12.115 -8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -8.917 12.952 -7.302 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.729 11.216 -7.645 1.00 0.00 H new ATOM 1062 N ASN A 70 -10.441 9.265 -6.342 1.00 0.00 N ATOM 1063 CA ASN A 70 -11.105 7.982 -6.543 1.00 0.00 C ATOM 1064 C ASN A 70 -11.653 7.441 -5.226 1.00 0.00 C ATOM 1065 O ASN A 70 -10.931 7.348 -4.233 1.00 0.00 O ATOM 1066 CB ASN A 70 -10.134 6.972 -7.157 1.00 0.00 C ATOM 1067 CG ASN A 70 -9.667 7.386 -8.539 1.00 0.00 C ATOM 1068 OD1 ASN A 70 -10.426 7.327 -9.507 1.00 0.00 O ATOM 1069 ND2 ASN A 70 -8.412 7.808 -8.638 1.00 0.00 N ATOM 0 H ASN A 70 -9.453 9.195 -6.098 1.00 0.00 H new ATOM 0 HA ASN A 70 -11.939 8.136 -7.227 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.269 6.859 -6.503 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.618 5.997 -7.217 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.042 8.100 -9.543 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.818 7.841 -7.809 1.00 0.00 H new ATOM 1076 N ASP A 71 -12.933 7.085 -5.225 1.00 0.00 N ATOM 1077 CA ASP A 71 -13.578 6.551 -4.031 1.00 0.00 C ATOM 1078 C ASP A 71 -13.346 5.048 -3.914 1.00 0.00 C ATOM 1079 O ASP A 71 -13.843 4.268 -4.728 1.00 0.00 O ATOM 1080 CB ASP A 71 -15.078 6.848 -4.061 1.00 0.00 C ATOM 1081 CG ASP A 71 -15.377 8.331 -3.965 1.00 0.00 C ATOM 1082 OD1 ASP A 71 -14.991 9.075 -4.890 1.00 0.00 O ATOM 1083 OD2 ASP A 71 -15.999 8.747 -2.965 1.00 0.00 O ATOM 0 H ASP A 71 -13.545 7.157 -6.038 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.137 7.037 -3.161 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.505 6.453 -4.983 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.565 6.328 -3.236 1.00 0.00 H new ATOM 1088 N ILE A 72 -12.588 4.649 -2.899 1.00 0.00 N ATOM 1089 CA ILE A 72 -12.291 3.239 -2.676 1.00 0.00 C ATOM 1090 C ILE A 72 -13.570 2.431 -2.487 1.00 0.00 C ATOM 1091 O ILE A 72 -14.083 2.310 -1.373 1.00 0.00 O ATOM 1092 CB ILE A 72 -11.386 3.043 -1.445 1.00 0.00 C ATOM 1093 CG1 ILE A 72 -10.072 3.807 -1.624 1.00 0.00 C ATOM 1094 CG2 ILE A 72 -11.117 1.563 -1.217 1.00 0.00 C ATOM 1095 CD1 ILE A 72 -9.298 3.986 -0.337 1.00 0.00 C ATOM 0 H ILE A 72 -12.168 5.282 -2.218 1.00 0.00 H new ATOM 0 HA ILE A 72 -11.767 2.882 -3.563 1.00 0.00 H new ATOM 0 HB ILE A 72 -11.898 3.439 -0.568 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.448 3.277 -2.343 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -10.286 4.787 -2.049 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -10.476 1.440 -0.344 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -12.060 1.043 -1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -10.621 1.144 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.379 4.535 -0.539 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.904 4.543 0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.053 3.009 0.079 1.00 0.00 H new ATOM 1107 N THR A 73 -14.081 1.876 -3.581 1.00 0.00 N ATOM 1108 CA THR A 73 -15.299 1.078 -3.537 1.00 0.00 C ATOM 1109 C THR A 73 -15.251 0.064 -2.400 1.00 0.00 C ATOM 1110 O THR A 73 -16.243 -0.151 -1.705 1.00 0.00 O ATOM 1111 CB THR A 73 -15.532 0.334 -4.865 1.00 0.00 C ATOM 1112 OG1 THR A 73 -14.355 -0.395 -5.231 1.00 0.00 O ATOM 1113 CG2 THR A 73 -15.897 1.308 -5.975 1.00 0.00 C ATOM 0 H THR A 73 -13.669 1.965 -4.510 1.00 0.00 H new ATOM 0 HA THR A 73 -16.124 1.770 -3.368 1.00 0.00 H new ATOM 0 HB THR A 73 -16.361 -0.360 -4.726 1.00 0.00 H new ATOM 0 HG1 THR A 73 -14.512 -0.867 -6.076 1.00 0.00 H new ATOM 0 HG21 THR A 73 -16.057 0.759 -6.903 1.00 0.00 H new ATOM 0 HG22 THR A 73 -16.810 1.840 -5.707 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.087 2.024 -6.112 1.00 0.00 H new ATOM 1121 N ASN A 74 -14.090 -0.557 -2.216 1.00 0.00 N ATOM 1122 CA ASN A 74 -13.913 -1.550 -1.163 1.00 0.00 C ATOM 1123 C ASN A 74 -14.427 -1.022 0.173 1.00 0.00 C ATOM 1124 O ASN A 74 -14.865 0.124 0.273 1.00 0.00 O ATOM 1125 CB ASN A 74 -12.437 -1.934 -1.039 1.00 0.00 C ATOM 1126 CG ASN A 74 -11.774 -2.123 -2.389 1.00 0.00 C ATOM 1127 OD1 ASN A 74 -11.374 -1.156 -3.038 1.00 0.00 O ATOM 1128 ND2 ASN A 74 -11.653 -3.374 -2.819 1.00 0.00 N ATOM 0 H ASN A 74 -13.258 -0.390 -2.782 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.490 -2.435 -1.430 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -11.908 -1.160 -0.483 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.351 -2.855 -0.463 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.214 -3.563 -3.720 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -11.999 -4.145 -2.248 1.00 0.00 H new ATOM 1135 N ASP A 75 -14.368 -1.866 1.198 1.00 0.00 N ATOM 1136 CA ASP A 75 -14.826 -1.485 2.529 1.00 0.00 C ATOM 1137 C ASP A 75 -13.726 -1.702 3.564 1.00 0.00 C ATOM 1138 O ASP A 75 -13.635 -0.970 4.549 1.00 0.00 O ATOM 1139 CB ASP A 75 -16.070 -2.287 2.913 1.00 0.00 C ATOM 1140 CG ASP A 75 -17.297 -1.862 2.130 1.00 0.00 C ATOM 1141 OD1 ASP A 75 -17.453 -2.317 0.978 1.00 0.00 O ATOM 1142 OD2 ASP A 75 -18.101 -1.075 2.671 1.00 0.00 O ATOM 0 H ASP A 75 -14.008 -2.818 1.132 1.00 0.00 H new ATOM 0 HA ASP A 75 -15.079 -0.425 2.510 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -15.883 -3.347 2.742 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.263 -2.165 3.979 1.00 0.00 H new ATOM 1147 N GLN A 76 -12.895 -2.713 3.334 1.00 0.00 N ATOM 1148 CA GLN A 76 -11.803 -3.027 4.248 1.00 0.00 C ATOM 1149 C GLN A 76 -10.701 -1.976 4.161 1.00 0.00 C ATOM 1150 O GLN A 76 -10.003 -1.712 5.140 1.00 0.00 O ATOM 1151 CB GLN A 76 -11.230 -4.411 3.936 1.00 0.00 C ATOM 1152 CG GLN A 76 -10.803 -4.579 2.487 1.00 0.00 C ATOM 1153 CD GLN A 76 -10.947 -6.007 1.998 1.00 0.00 C ATOM 1154 OE1 GLN A 76 -10.029 -6.565 1.396 1.00 0.00 O ATOM 1155 NE2 GLN A 76 -12.103 -6.607 2.255 1.00 0.00 N ATOM 0 H GLN A 76 -12.957 -3.329 2.523 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.201 -3.027 5.263 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.372 -4.594 4.583 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.977 -5.167 4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.402 -3.921 1.857 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.765 -4.265 2.379 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -12.837 -6.107 2.757 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.257 -7.568 1.951 1.00 0.00 H new ATOM 1164 N TYR A 77 -10.551 -1.380 2.984 1.00 0.00 N ATOM 1165 CA TYR A 77 -9.532 -0.359 2.769 1.00 0.00 C ATOM 1166 C TYR A 77 -10.041 1.016 3.191 1.00 0.00 C ATOM 1167 O TYR A 77 -10.882 1.614 2.519 1.00 0.00 O ATOM 1168 CB TYR A 77 -9.112 -0.331 1.298 1.00 0.00 C ATOM 1169 CG TYR A 77 -8.388 -1.580 0.851 1.00 0.00 C ATOM 1170 CD1 TYR A 77 -9.069 -2.779 0.682 1.00 0.00 C ATOM 1171 CD2 TYR A 77 -7.022 -1.561 0.596 1.00 0.00 C ATOM 1172 CE1 TYR A 77 -8.411 -3.923 0.275 1.00 0.00 C ATOM 1173 CE2 TYR A 77 -6.356 -2.700 0.187 1.00 0.00 C ATOM 1174 CZ TYR A 77 -7.054 -3.879 0.028 1.00 0.00 C ATOM 1175 OH TYR A 77 -6.395 -5.016 -0.379 1.00 0.00 O ATOM 0 H TYR A 77 -11.122 -1.586 2.164 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.667 -0.610 3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.998 -0.194 0.678 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.468 0.532 1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.131 -2.817 0.872 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.472 -0.640 0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -8.956 -4.847 0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.294 -2.668 -0.007 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.032 -5.758 -0.442 1.00 0.00 H new ATOM 1185 N LYS A 78 -9.523 1.513 4.309 1.00 0.00 N ATOM 1186 CA LYS A 78 -9.921 2.819 4.822 1.00 0.00 C ATOM 1187 C LYS A 78 -8.729 3.769 4.876 1.00 0.00 C ATOM 1188 O LYS A 78 -7.626 3.376 5.257 1.00 0.00 O ATOM 1189 CB LYS A 78 -10.536 2.675 6.216 1.00 0.00 C ATOM 1190 CG LYS A 78 -12.040 2.464 6.199 1.00 0.00 C ATOM 1191 CD LYS A 78 -12.789 3.785 6.251 1.00 0.00 C ATOM 1192 CE LYS A 78 -12.969 4.268 7.682 1.00 0.00 C ATOM 1193 NZ LYS A 78 -13.248 5.730 7.743 1.00 0.00 N ATOM 0 H LYS A 78 -8.826 1.031 4.877 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.665 3.237 4.144 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.066 1.835 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -10.310 3.568 6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.322 1.920 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.331 1.846 7.048 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.245 4.536 5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.765 3.670 5.779 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.789 3.722 8.149 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.070 4.046 8.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.364 6.020 8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.455 6.253 7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.120 5.939 7.217 1.00 0.00 H new ATOM 1207 N VAL A 79 -8.958 5.021 4.493 1.00 0.00 N ATOM 1208 CA VAL A 79 -7.904 6.028 4.500 1.00 0.00 C ATOM 1209 C VAL A 79 -8.097 7.018 5.643 1.00 0.00 C ATOM 1210 O VAL A 79 -9.046 7.801 5.644 1.00 0.00 O ATOM 1211 CB VAL A 79 -7.856 6.800 3.169 1.00 0.00 C ATOM 1212 CG1 VAL A 79 -6.730 7.822 3.184 1.00 0.00 C ATOM 1213 CG2 VAL A 79 -7.699 5.838 2.000 1.00 0.00 C ATOM 0 H VAL A 79 -9.865 5.362 4.174 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.961 5.498 4.638 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.798 7.335 3.046 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.712 8.358 2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.892 8.530 3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.778 7.312 3.331 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.667 6.401 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.774 5.273 2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.544 5.150 1.979 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.190 6.976 6.614 1.00 0.00 N ATOM 1224 CA GLU A 80 -7.262 7.871 7.764 1.00 0.00 C ATOM 1225 C GLU A 80 -5.966 8.661 7.920 1.00 0.00 C ATOM 1226 O GLU A 80 -5.623 9.101 9.017 1.00 0.00 O ATOM 1227 CB GLU A 80 -7.544 7.075 9.040 1.00 0.00 C ATOM 1228 CG GLU A 80 -8.805 6.230 8.964 1.00 0.00 C ATOM 1229 CD GLU A 80 -8.768 5.042 9.906 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -8.491 5.244 11.106 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -9.018 3.910 9.441 1.00 0.00 O ATOM 0 H GLU A 80 -6.398 6.333 6.628 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.078 8.574 7.595 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.694 6.426 9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.630 7.767 9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.669 6.851 9.202 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.939 5.875 7.942 1.00 0.00 H new ATOM 1238 N GLY A 81 -5.249 8.836 6.814 1.00 0.00 N ATOM 1239 CA GLY A 81 -3.999 9.572 6.849 1.00 0.00 C ATOM 1240 C GLY A 81 -3.073 9.197 5.709 1.00 0.00 C ATOM 1241 O GLY A 81 -2.757 8.022 5.517 1.00 0.00 O ATOM 0 H GLY A 81 -5.512 8.481 5.895 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.209 10.641 6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.497 9.384 7.798 1.00 0.00 H new ATOM 1245 N PHE A 82 -2.639 10.196 4.948 1.00 0.00 N ATOM 1246 CA PHE A 82 -1.746 9.965 3.819 1.00 0.00 C ATOM 1247 C PHE A 82 -0.303 10.299 4.188 1.00 0.00 C ATOM 1248 O PHE A 82 -0.033 11.182 5.003 1.00 0.00 O ATOM 1249 CB PHE A 82 -2.183 10.803 2.616 1.00 0.00 C ATOM 1250 CG PHE A 82 -3.667 10.788 2.383 1.00 0.00 C ATOM 1251 CD1 PHE A 82 -4.518 11.505 3.208 1.00 0.00 C ATOM 1252 CD2 PHE A 82 -4.210 10.057 1.339 1.00 0.00 C ATOM 1253 CE1 PHE A 82 -5.884 11.494 2.996 1.00 0.00 C ATOM 1254 CE2 PHE A 82 -5.575 10.043 1.122 1.00 0.00 C ATOM 1255 CZ PHE A 82 -6.413 10.761 1.952 1.00 0.00 C ATOM 0 H PHE A 82 -2.891 11.174 5.093 1.00 0.00 H new ATOM 0 HA PHE A 82 -1.800 8.908 3.557 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.857 11.833 2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -1.679 10.433 1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.110 12.079 4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -3.560 9.492 0.688 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -6.537 12.058 3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.986 9.471 0.304 1.00 0.00 H new ATOM 0 HZ PHE A 82 -7.480 10.749 1.785 1.00 0.00 H new ATOM 1265 N PRO A 83 0.646 9.576 3.576 1.00 0.00 N ATOM 1266 CA PRO A 83 0.337 8.523 2.605 1.00 0.00 C ATOM 1267 C PRO A 83 -0.308 7.304 3.258 1.00 0.00 C ATOM 1268 O PRO A 83 -0.285 7.156 4.480 1.00 0.00 O ATOM 1269 CB PRO A 83 1.707 8.158 2.028 1.00 0.00 C ATOM 1270 CG PRO A 83 2.678 8.530 3.094 1.00 0.00 C ATOM 1271 CD PRO A 83 2.096 9.732 3.785 1.00 0.00 C ATOM 0 HA PRO A 83 -0.380 8.858 1.856 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.767 7.096 1.791 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.905 8.702 1.104 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.821 7.708 3.795 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.655 8.760 2.669 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.350 9.748 4.845 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.467 10.662 3.354 1.00 0.00 H new ATOM 1279 N THR A 84 -0.882 6.432 2.435 1.00 0.00 N ATOM 1280 CA THR A 84 -1.533 5.227 2.932 1.00 0.00 C ATOM 1281 C THR A 84 -1.204 4.023 2.056 1.00 0.00 C ATOM 1282 O THR A 84 -1.728 3.886 0.951 1.00 0.00 O ATOM 1283 CB THR A 84 -3.062 5.399 2.994 1.00 0.00 C ATOM 1284 OG1 THR A 84 -3.389 6.701 3.493 1.00 0.00 O ATOM 1285 CG2 THR A 84 -3.691 4.337 3.884 1.00 0.00 C ATOM 0 H THR A 84 -0.909 6.538 1.421 1.00 0.00 H new ATOM 0 HA THR A 84 -1.153 5.055 3.939 1.00 0.00 H new ATOM 0 HB THR A 84 -3.459 5.287 1.985 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.853 6.890 4.291 1.00 0.00 H new ATOM 0 HG21 THR A 84 -4.771 4.479 3.912 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.465 3.348 3.485 1.00 0.00 H new ATOM 0 HG23 THR A 84 -3.287 4.422 4.893 1.00 0.00 H new ATOM 1293 N ILE A 85 -0.333 3.153 2.558 1.00 0.00 N ATOM 1294 CA ILE A 85 0.064 1.959 1.821 1.00 0.00 C ATOM 1295 C ILE A 85 -0.711 0.736 2.298 1.00 0.00 C ATOM 1296 O ILE A 85 -0.977 0.582 3.490 1.00 0.00 O ATOM 1297 CB ILE A 85 1.572 1.686 1.963 1.00 0.00 C ATOM 1298 CG1 ILE A 85 2.378 2.913 1.534 1.00 0.00 C ATOM 1299 CG2 ILE A 85 1.970 0.470 1.140 1.00 0.00 C ATOM 1300 CD1 ILE A 85 3.697 3.055 2.261 1.00 0.00 C ATOM 0 H ILE A 85 0.111 3.253 3.471 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.166 2.144 0.772 1.00 0.00 H new ATOM 0 HB ILE A 85 1.791 1.479 3.011 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.568 2.856 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.780 3.808 1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.039 0.290 1.251 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.417 -0.402 1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.739 0.650 0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.214 3.946 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.514 3.144 3.332 1.00 0.00 H new ATOM 0 HD13 ILE A 85 4.314 2.177 2.070 1.00 0.00 H new ATOM 1312 N TYR A 86 -1.069 -0.134 1.360 1.00 0.00 N ATOM 1313 CA TYR A 86 -1.813 -1.345 1.684 1.00 0.00 C ATOM 1314 C TYR A 86 -1.381 -2.505 0.793 1.00 0.00 C ATOM 1315 O TYR A 86 -1.353 -2.386 -0.432 1.00 0.00 O ATOM 1316 CB TYR A 86 -3.316 -1.101 1.530 1.00 0.00 C ATOM 1317 CG TYR A 86 -3.988 -0.639 2.803 1.00 0.00 C ATOM 1318 CD1 TYR A 86 -4.321 -1.544 3.804 1.00 0.00 C ATOM 1319 CD2 TYR A 86 -4.290 0.702 3.006 1.00 0.00 C ATOM 1320 CE1 TYR A 86 -4.935 -1.127 4.969 1.00 0.00 C ATOM 1321 CE2 TYR A 86 -4.903 1.128 4.168 1.00 0.00 C ATOM 1322 CZ TYR A 86 -5.224 0.210 5.146 1.00 0.00 C ATOM 1323 OH TYR A 86 -5.836 0.631 6.305 1.00 0.00 O ATOM 0 H TYR A 86 -0.856 -0.023 0.369 1.00 0.00 H new ATOM 0 HA TYR A 86 -1.598 -1.607 2.720 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.476 -0.354 0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -3.792 -2.021 1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.096 -2.592 3.669 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.041 1.424 2.242 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.187 -1.844 5.737 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.130 2.174 4.310 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.968 1.602 6.271 1.00 0.00 H new ATOM 1333 N PHE A 87 -1.045 -3.629 1.417 1.00 0.00 N ATOM 1334 CA PHE A 87 -0.614 -4.812 0.683 1.00 0.00 C ATOM 1335 C PHE A 87 -1.779 -5.775 0.469 1.00 0.00 C ATOM 1336 O PHE A 87 -2.320 -6.333 1.423 1.00 0.00 O ATOM 1337 CB PHE A 87 0.516 -5.521 1.433 1.00 0.00 C ATOM 1338 CG PHE A 87 1.192 -6.593 0.626 1.00 0.00 C ATOM 1339 CD1 PHE A 87 0.488 -7.711 0.208 1.00 0.00 C ATOM 1340 CD2 PHE A 87 2.530 -6.483 0.287 1.00 0.00 C ATOM 1341 CE1 PHE A 87 1.106 -8.699 -0.535 1.00 0.00 C ATOM 1342 CE2 PHE A 87 3.154 -7.467 -0.456 1.00 0.00 C ATOM 1343 CZ PHE A 87 2.441 -8.577 -0.866 1.00 0.00 C ATOM 0 H PHE A 87 -1.063 -3.745 2.430 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.248 -4.490 -0.292 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.259 -4.783 1.736 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.115 -5.963 2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.556 -7.811 0.466 1.00 0.00 H new ATOM 0 HD2 PHE A 87 3.092 -5.618 0.607 1.00 0.00 H new ATOM 0 HE1 PHE A 87 0.546 -9.565 -0.856 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.198 -7.368 -0.716 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.927 -9.348 -1.445 1.00 0.00 H new ATOM 1353 N ALA A 88 -2.159 -5.963 -0.791 1.00 0.00 N ATOM 1354 CA ALA A 88 -3.258 -6.857 -1.131 1.00 0.00 C ATOM 1355 C ALA A 88 -2.738 -8.185 -1.671 1.00 0.00 C ATOM 1356 O ALA A 88 -2.431 -8.324 -2.855 1.00 0.00 O ATOM 1357 CB ALA A 88 -4.181 -6.198 -2.146 1.00 0.00 C ATOM 0 H ALA A 88 -1.722 -5.508 -1.592 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.823 -7.060 -0.221 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.997 -6.878 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.588 -5.279 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.620 -5.965 -3.051 1.00 0.00 H new ATOM 1363 N PRO A 89 -2.634 -9.186 -0.783 1.00 0.00 N ATOM 1364 CA PRO A 89 -2.150 -10.521 -1.148 1.00 0.00 C ATOM 1365 C PRO A 89 -3.140 -11.275 -2.030 1.00 0.00 C ATOM 1366 O PRO A 89 -4.137 -11.808 -1.545 1.00 0.00 O ATOM 1367 CB PRO A 89 -1.995 -11.223 0.203 1.00 0.00 C ATOM 1368 CG PRO A 89 -2.949 -10.522 1.106 1.00 0.00 C ATOM 1369 CD PRO A 89 -2.982 -9.091 0.644 1.00 0.00 C ATOM 0 HA PRO A 89 -1.229 -10.476 -1.729 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -2.230 -12.285 0.127 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.972 -11.148 0.573 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -3.940 -10.972 1.052 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -2.625 -10.589 2.144 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.966 -8.644 0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -2.269 -8.475 1.192 1.00 0.00 H new ATOM 1377 N SER A 90 -2.857 -11.315 -3.328 1.00 0.00 N ATOM 1378 CA SER A 90 -3.724 -12.002 -4.279 1.00 0.00 C ATOM 1379 C SER A 90 -4.303 -13.273 -3.666 1.00 0.00 C ATOM 1380 O SER A 90 -3.606 -14.276 -3.515 1.00 0.00 O ATOM 1381 CB SER A 90 -2.950 -12.343 -5.554 1.00 0.00 C ATOM 1382 OG SER A 90 -1.953 -13.317 -5.299 1.00 0.00 O ATOM 0 H SER A 90 -2.034 -10.880 -3.745 1.00 0.00 H new ATOM 0 HA SER A 90 -4.547 -11.333 -4.531 1.00 0.00 H new ATOM 0 HB2 SER A 90 -3.639 -12.713 -6.314 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.488 -11.441 -5.955 1.00 0.00 H new ATOM 0 HG SER A 90 -2.181 -13.813 -4.485 1.00 0.00 H new ATOM 1388 N GLY A 91 -5.584 -13.223 -3.314 1.00 0.00 N ATOM 1389 CA GLY A 91 -6.236 -14.376 -2.721 1.00 0.00 C ATOM 1390 C GLY A 91 -6.816 -14.075 -1.353 1.00 0.00 C ATOM 1391 O GLY A 91 -7.954 -14.441 -1.060 1.00 0.00 O ATOM 0 H GLY A 91 -6.182 -12.405 -3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.032 -14.719 -3.382 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.518 -15.192 -2.636 1.00 0.00 H new ATOM 1395 N ASP A 92 -6.032 -13.407 -0.514 1.00 0.00 N ATOM 1396 CA ASP A 92 -6.474 -13.057 0.831 1.00 0.00 C ATOM 1397 C ASP A 92 -6.554 -11.543 1.000 1.00 0.00 C ATOM 1398 O ASP A 92 -6.265 -11.011 2.071 1.00 0.00 O ATOM 1399 CB ASP A 92 -5.524 -13.649 1.873 1.00 0.00 C ATOM 1400 CG ASP A 92 -6.064 -13.528 3.284 1.00 0.00 C ATOM 1401 OD1 ASP A 92 -7.144 -14.094 3.557 1.00 0.00 O ATOM 1402 OD2 ASP A 92 -5.407 -12.869 4.117 1.00 0.00 O ATOM 0 H ASP A 92 -5.087 -13.097 -0.741 1.00 0.00 H new ATOM 0 HA ASP A 92 -7.470 -13.474 0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.347 -14.700 1.644 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.561 -13.143 1.811 1.00 0.00 H new ATOM 1407 N LYS A 93 -6.949 -10.855 -0.066 1.00 0.00 N ATOM 1408 CA LYS A 93 -7.068 -9.402 -0.037 1.00 0.00 C ATOM 1409 C LYS A 93 -8.081 -8.960 1.015 1.00 0.00 C ATOM 1410 O LYS A 93 -7.939 -7.897 1.621 1.00 0.00 O ATOM 1411 CB LYS A 93 -7.484 -8.876 -1.413 1.00 0.00 C ATOM 1412 CG LYS A 93 -6.612 -9.385 -2.547 1.00 0.00 C ATOM 1413 CD LYS A 93 -6.521 -8.374 -3.677 1.00 0.00 C ATOM 1414 CE LYS A 93 -5.819 -8.958 -4.894 1.00 0.00 C ATOM 1415 NZ LYS A 93 -6.629 -10.027 -5.541 1.00 0.00 N ATOM 0 H LYS A 93 -7.192 -11.280 -0.961 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.094 -8.988 0.225 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.518 -9.162 -1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.451 -7.787 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.613 -9.601 -2.170 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -7.019 -10.322 -2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -7.523 -8.047 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.982 -7.491 -3.334 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.622 -8.165 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.853 -9.365 -4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.033 -10.864 -5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.424 -10.283 -4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.996 -9.682 -6.451 1.00 0.00 H new ATOM 1429 N LYS A 94 -9.102 -9.782 1.229 1.00 0.00 N ATOM 1430 CA LYS A 94 -10.138 -9.478 2.209 1.00 0.00 C ATOM 1431 C LYS A 94 -9.544 -8.777 3.427 1.00 0.00 C ATOM 1432 O LYS A 94 -10.202 -7.955 4.063 1.00 0.00 O ATOM 1433 CB LYS A 94 -10.850 -10.761 2.643 1.00 0.00 C ATOM 1434 CG LYS A 94 -12.060 -11.103 1.790 1.00 0.00 C ATOM 1435 CD LYS A 94 -11.659 -11.849 0.529 1.00 0.00 C ATOM 1436 CE LYS A 94 -11.211 -13.269 0.839 1.00 0.00 C ATOM 1437 NZ LYS A 94 -10.945 -14.050 -0.401 1.00 0.00 N ATOM 0 H LYS A 94 -9.235 -10.665 0.736 1.00 0.00 H new ATOM 0 HA LYS A 94 -10.861 -8.809 1.742 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -10.143 -11.590 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -11.165 -10.658 3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.754 -11.712 2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.587 -10.188 1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.501 -11.875 -0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.852 -11.313 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.309 -13.240 1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.979 -13.772 1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -11.344 -15.005 -0.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.386 -13.573 -1.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.919 -14.118 -0.555 1.00 0.00 H new ATOM 1451 N ASN A 95 -8.297 -9.107 3.745 1.00 0.00 N ATOM 1452 CA ASN A 95 -7.615 -8.507 4.886 1.00 0.00 C ATOM 1453 C ASN A 95 -6.477 -7.601 4.426 1.00 0.00 C ATOM 1454 O ASN A 95 -5.362 -8.049 4.160 1.00 0.00 O ATOM 1455 CB ASN A 95 -7.070 -9.597 5.812 1.00 0.00 C ATOM 1456 CG ASN A 95 -8.174 -10.429 6.437 1.00 0.00 C ATOM 1457 OD1 ASN A 95 -8.994 -9.918 7.200 1.00 0.00 O ATOM 1458 ND2 ASN A 95 -8.197 -11.717 6.116 1.00 0.00 N ATOM 0 H ASN A 95 -7.738 -9.786 3.229 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.339 -7.903 5.432 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -6.402 -10.249 5.248 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.475 -9.136 6.601 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.915 -12.327 6.506 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -7.496 -12.096 5.479 1.00 0.00 H new ATOM 1465 N PRO A 96 -6.764 -6.294 4.329 1.00 0.00 N ATOM 1466 CA PRO A 96 -5.778 -5.297 3.902 1.00 0.00 C ATOM 1467 C PRO A 96 -4.684 -5.080 4.942 1.00 0.00 C ATOM 1468 O PRO A 96 -4.968 -4.903 6.127 1.00 0.00 O ATOM 1469 CB PRO A 96 -6.612 -4.025 3.730 1.00 0.00 C ATOM 1470 CG PRO A 96 -7.782 -4.214 4.632 1.00 0.00 C ATOM 1471 CD PRO A 96 -8.072 -5.689 4.630 1.00 0.00 C ATOM 0 HA PRO A 96 -5.253 -5.605 2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -6.041 -3.137 4.003 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -6.927 -3.895 2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.559 -3.861 5.639 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.643 -3.646 4.279 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.457 -6.024 5.593 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -8.818 -5.951 3.880 1.00 0.00 H new ATOM 1479 N ILE A 97 -3.435 -5.095 4.491 1.00 0.00 N ATOM 1480 CA ILE A 97 -2.299 -4.898 5.384 1.00 0.00 C ATOM 1481 C ILE A 97 -1.751 -3.480 5.271 1.00 0.00 C ATOM 1482 O ILE A 97 -1.099 -3.130 4.287 1.00 0.00 O ATOM 1483 CB ILE A 97 -1.168 -5.899 5.084 1.00 0.00 C ATOM 1484 CG1 ILE A 97 -1.682 -7.335 5.207 1.00 0.00 C ATOM 1485 CG2 ILE A 97 0.006 -5.669 6.025 1.00 0.00 C ATOM 1486 CD1 ILE A 97 -0.892 -8.332 4.387 1.00 0.00 C ATOM 0 H ILE A 97 -3.183 -5.241 3.513 1.00 0.00 H new ATOM 0 HA ILE A 97 -2.662 -5.065 6.398 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.826 -5.742 4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -1.653 -7.634 6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -2.726 -7.367 4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.798 -6.384 5.801 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.385 -4.655 5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -0.322 -5.803 7.056 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -1.312 -9.329 4.522 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -0.942 -8.057 3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.148 -8.329 4.714 1.00 0.00 H new ATOM 1498 N LYS A 98 -2.017 -2.666 6.287 1.00 0.00 N ATOM 1499 CA LYS A 98 -1.549 -1.286 6.306 1.00 0.00 C ATOM 1500 C LYS A 98 -0.138 -1.198 6.880 1.00 0.00 C ATOM 1501 O LYS A 98 0.163 -1.802 7.910 1.00 0.00 O ATOM 1502 CB LYS A 98 -2.500 -0.413 7.127 1.00 0.00 C ATOM 1503 CG LYS A 98 -2.036 1.026 7.270 1.00 0.00 C ATOM 1504 CD LYS A 98 -3.211 1.982 7.384 1.00 0.00 C ATOM 1505 CE LYS A 98 -2.751 3.392 7.721 1.00 0.00 C ATOM 1506 NZ LYS A 98 -3.880 4.364 7.701 1.00 0.00 N ATOM 0 H LYS A 98 -2.555 -2.939 7.109 1.00 0.00 H new ATOM 0 HA LYS A 98 -1.528 -0.922 5.279 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.484 -0.423 6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -2.614 -0.849 8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.403 1.119 8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -1.425 1.300 6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.765 1.993 6.445 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -3.896 1.628 8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -2.286 3.396 8.707 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -1.989 3.706 7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.513 5.325 7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.362 4.318 6.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -4.554 4.128 8.457 1.00 0.00 H new ATOM 1520 N PHE A 99 0.723 -0.441 6.208 1.00 0.00 N ATOM 1521 CA PHE A 99 2.102 -0.273 6.652 1.00 0.00 C ATOM 1522 C PHE A 99 2.159 0.477 7.979 1.00 0.00 C ATOM 1523 O PHE A 99 2.004 1.697 8.021 1.00 0.00 O ATOM 1524 CB PHE A 99 2.913 0.477 5.594 1.00 0.00 C ATOM 1525 CG PHE A 99 4.260 0.930 6.080 1.00 0.00 C ATOM 1526 CD1 PHE A 99 5.147 0.026 6.644 1.00 0.00 C ATOM 1527 CD2 PHE A 99 4.639 2.258 5.975 1.00 0.00 C ATOM 1528 CE1 PHE A 99 6.388 0.439 7.092 1.00 0.00 C ATOM 1529 CE2 PHE A 99 5.879 2.677 6.421 1.00 0.00 C ATOM 1530 CZ PHE A 99 6.753 1.766 6.982 1.00 0.00 C ATOM 0 H PHE A 99 0.490 0.066 5.354 1.00 0.00 H new ATOM 0 HA PHE A 99 2.534 -1.263 6.796 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.047 -0.168 4.726 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.345 1.346 5.261 1.00 0.00 H new ATOM 0 HD1 PHE A 99 4.865 -1.013 6.734 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.958 2.975 5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 99 7.071 -0.275 7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.164 3.715 6.331 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.721 2.091 7.334 1.00 0.00 H new ATOM 1540 N GLU A 100 2.381 -0.263 9.061 1.00 0.00 N ATOM 1541 CA GLU A 100 2.457 0.333 10.390 1.00 0.00 C ATOM 1542 C GLU A 100 3.897 0.355 10.895 1.00 0.00 C ATOM 1543 O GLU A 100 4.371 -0.611 11.493 1.00 0.00 O ATOM 1544 CB GLU A 100 1.573 -0.441 11.371 1.00 0.00 C ATOM 1545 CG GLU A 100 0.103 -0.061 11.295 1.00 0.00 C ATOM 1546 CD GLU A 100 -0.632 -0.314 12.596 1.00 0.00 C ATOM 1547 OE1 GLU A 100 -0.447 -1.402 13.180 1.00 0.00 O ATOM 1548 OE2 GLU A 100 -1.394 0.575 13.031 1.00 0.00 O ATOM 0 H GLU A 100 2.511 -1.275 9.044 1.00 0.00 H new ATOM 0 HA GLU A 100 2.099 1.360 10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 100 1.674 -1.508 11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.932 -0.268 12.385 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.017 0.993 11.033 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.374 -0.628 10.496 1.00 0.00 H new ATOM 1555 N GLY A 101 4.587 1.464 10.650 1.00 0.00 N ATOM 1556 CA GLY A 101 5.966 1.592 11.085 1.00 0.00 C ATOM 1557 C GLY A 101 6.247 2.932 11.736 1.00 0.00 C ATOM 1558 O GLY A 101 6.668 2.993 12.890 1.00 0.00 O ATOM 0 H GLY A 101 4.216 2.277 10.158 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.197 0.794 11.790 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.627 1.462 10.228 1.00 0.00 H new ATOM 1562 N GLY A 102 6.014 4.009 10.992 1.00 0.00 N ATOM 1563 CA GLY A 102 6.252 5.340 11.520 1.00 0.00 C ATOM 1564 C GLY A 102 7.016 6.220 10.550 1.00 0.00 C ATOM 1565 O GLY A 102 6.761 7.420 10.458 1.00 0.00 O ATOM 0 H GLY A 102 5.665 3.984 10.034 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.297 5.810 11.757 1.00 0.00 H new ATOM 0 HA3 GLY A 102 6.810 5.263 12.453 1.00 0.00 H new ATOM 1569 N ASN A 103 7.957 5.622 9.827 1.00 0.00 N ATOM 1570 CA ASN A 103 8.762 6.361 8.861 1.00 0.00 C ATOM 1571 C ASN A 103 8.532 5.837 7.446 1.00 0.00 C ATOM 1572 O ASN A 103 8.919 4.715 7.119 1.00 0.00 O ATOM 1573 CB ASN A 103 10.246 6.259 9.219 1.00 0.00 C ATOM 1574 CG ASN A 103 10.640 7.213 10.330 1.00 0.00 C ATOM 1575 OD1 ASN A 103 10.085 7.166 11.429 1.00 0.00 O ATOM 1576 ND2 ASN A 103 11.601 8.084 10.049 1.00 0.00 N ATOM 0 H ASN A 103 8.181 4.629 9.891 1.00 0.00 H new ATOM 0 HA ASN A 103 8.457 7.407 8.896 1.00 0.00 H new ATOM 0 HB2 ASN A 103 10.474 5.237 9.523 1.00 0.00 H new ATOM 0 HB3 ASN A 103 10.846 6.469 8.334 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.908 8.751 10.757 1.00 0.00 H new ATOM 0 HD22 ASN A 103 12.033 8.087 9.125 1.00 0.00 H new ATOM 1583 N ARG A 104 7.900 6.656 6.613 1.00 0.00 N ATOM 1584 CA ARG A 104 7.617 6.275 5.235 1.00 0.00 C ATOM 1585 C ARG A 104 8.846 6.477 4.352 1.00 0.00 C ATOM 1586 O ARG A 104 8.930 7.448 3.601 1.00 0.00 O ATOM 1587 CB ARG A 104 6.444 7.091 4.688 1.00 0.00 C ATOM 1588 CG ARG A 104 5.093 6.657 5.233 1.00 0.00 C ATOM 1589 CD ARG A 104 4.495 5.530 4.406 1.00 0.00 C ATOM 1590 NE ARG A 104 3.046 5.445 4.564 1.00 0.00 N ATOM 1591 CZ ARG A 104 2.450 5.075 5.693 1.00 0.00 C ATOM 1592 NH1 ARG A 104 3.175 4.758 6.756 1.00 0.00 N ATOM 1593 NH2 ARG A 104 1.126 5.022 5.759 1.00 0.00 N ATOM 0 H ARG A 104 7.574 7.588 6.868 1.00 0.00 H new ATOM 0 HA ARG A 104 7.352 5.218 5.224 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.602 8.143 4.927 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.431 7.009 3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 104 5.204 6.331 6.267 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.411 7.507 5.238 1.00 0.00 H new ATOM 0 HD2 ARG A 104 4.737 5.684 3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.948 4.584 4.701 1.00 0.00 H new ATOM 0 HE ARG A 104 2.459 5.683 3.764 1.00 0.00 H new ATOM 0 HH11 ARG A 104 4.193 4.798 6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 104 2.715 4.474 7.621 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.565 5.265 4.943 1.00 0.00 H new ATOM 0 HH22 ARG A 104 0.670 4.738 6.626 1.00 0.00 H new ATOM 1607 N ASP A 105 9.795 5.553 4.449 1.00 0.00 N ATOM 1608 CA ASP A 105 11.019 5.628 3.660 1.00 0.00 C ATOM 1609 C ASP A 105 11.260 4.324 2.905 1.00 0.00 C ATOM 1610 O ASP A 105 10.659 3.295 3.216 1.00 0.00 O ATOM 1611 CB ASP A 105 12.214 5.938 4.562 1.00 0.00 C ATOM 1612 CG ASP A 105 11.970 7.140 5.454 1.00 0.00 C ATOM 1613 OD1 ASP A 105 10.997 7.110 6.235 1.00 0.00 O ATOM 1614 OD2 ASP A 105 12.753 8.110 5.370 1.00 0.00 O ATOM 0 H ASP A 105 9.740 4.743 5.066 1.00 0.00 H new ATOM 0 HA ASP A 105 10.905 6.432 2.933 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.433 5.068 5.181 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.094 6.120 3.945 1.00 0.00 H new ATOM 1619 N LEU A 106 12.141 4.376 1.912 1.00 0.00 N ATOM 1620 CA LEU A 106 12.461 3.199 1.112 1.00 0.00 C ATOM 1621 C LEU A 106 13.066 2.099 1.978 1.00 0.00 C ATOM 1622 O LEU A 106 12.894 0.913 1.701 1.00 0.00 O ATOM 1623 CB LEU A 106 13.430 3.570 -0.012 1.00 0.00 C ATOM 1624 CG LEU A 106 13.954 2.409 -0.858 1.00 0.00 C ATOM 1625 CD1 LEU A 106 12.989 2.097 -1.991 1.00 0.00 C ATOM 1626 CD2 LEU A 106 15.337 2.729 -1.404 1.00 0.00 C ATOM 0 H LEU A 106 12.646 5.220 1.642 1.00 0.00 H new ATOM 0 HA LEU A 106 11.535 2.824 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 106 12.933 4.280 -0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.283 4.087 0.427 1.00 0.00 H new ATOM 0 HG LEU A 106 14.032 1.527 -0.222 1.00 0.00 H new ATOM 0 HD11 LEU A 106 13.378 1.268 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.018 1.823 -1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.878 2.976 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 106 15.694 1.892 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 106 15.285 3.624 -2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 106 16.024 2.901 -0.576 1.00 0.00 H new ATOM 1638 N GLU A 107 13.773 2.502 3.029 1.00 0.00 N ATOM 1639 CA GLU A 107 14.402 1.550 3.937 1.00 0.00 C ATOM 1640 C GLU A 107 13.353 0.810 4.762 1.00 0.00 C ATOM 1641 O GLU A 107 13.414 -0.411 4.913 1.00 0.00 O ATOM 1642 CB GLU A 107 15.383 2.269 4.866 1.00 0.00 C ATOM 1643 CG GLU A 107 16.535 1.393 5.330 1.00 0.00 C ATOM 1644 CD GLU A 107 17.610 1.234 4.273 1.00 0.00 C ATOM 1645 OE1 GLU A 107 17.281 0.785 3.155 1.00 0.00 O ATOM 1646 OE2 GLU A 107 18.780 1.558 4.564 1.00 0.00 O ATOM 0 H GLU A 107 13.925 3.481 3.273 1.00 0.00 H new ATOM 0 HA GLU A 107 14.948 0.822 3.337 1.00 0.00 H new ATOM 0 HB2 GLU A 107 15.785 3.141 4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 107 14.842 2.636 5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.976 1.825 6.229 1.00 0.00 H new ATOM 0 HG3 GLU A 107 16.152 0.410 5.604 1.00 0.00 H new ATOM 1653 N HIS A 108 12.392 1.558 5.294 1.00 0.00 N ATOM 1654 CA HIS A 108 11.329 0.973 6.104 1.00 0.00 C ATOM 1655 C HIS A 108 10.341 0.205 5.231 1.00 0.00 C ATOM 1656 O HIS A 108 10.028 -0.955 5.503 1.00 0.00 O ATOM 1657 CB HIS A 108 10.596 2.064 6.886 1.00 0.00 C ATOM 1658 CG HIS A 108 11.400 2.637 8.012 1.00 0.00 C ATOM 1659 ND1 HIS A 108 11.990 3.883 7.957 1.00 0.00 N ATOM 1660 CD2 HIS A 108 11.710 2.129 9.227 1.00 0.00 C ATOM 1661 CE1 HIS A 108 12.629 4.114 9.090 1.00 0.00 C ATOM 1662 NE2 HIS A 108 12.474 3.066 9.878 1.00 0.00 N ATOM 0 H HIS A 108 12.327 2.569 5.179 1.00 0.00 H new ATOM 0 HA HIS A 108 11.784 0.275 6.807 1.00 0.00 H new ATOM 0 HB2 HIS A 108 10.320 2.867 6.202 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.669 1.653 7.285 1.00 0.00 H new ATOM 0 HD2 HIS A 108 11.412 1.165 9.613 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.184 5.009 9.331 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.859 2.968 10.817 1.00 0.00 H new ATOM 1671 N LEU A 109 9.852 0.859 4.184 1.00 0.00 N ATOM 1672 CA LEU A 109 8.898 0.238 3.271 1.00 0.00 C ATOM 1673 C LEU A 109 9.346 -1.170 2.891 1.00 0.00 C ATOM 1674 O LEU A 109 8.625 -2.142 3.115 1.00 0.00 O ATOM 1675 CB LEU A 109 8.738 1.092 2.011 1.00 0.00 C ATOM 1676 CG LEU A 109 8.005 2.422 2.191 1.00 0.00 C ATOM 1677 CD1 LEU A 109 8.075 3.246 0.915 1.00 0.00 C ATOM 1678 CD2 LEU A 109 6.558 2.183 2.596 1.00 0.00 C ATOM 0 H LEU A 109 10.100 1.819 3.946 1.00 0.00 H new ATOM 0 HA LEU A 109 7.937 0.169 3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 109 9.729 1.298 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.205 0.505 1.263 1.00 0.00 H new ATOM 0 HG LEU A 109 8.496 2.981 2.988 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.548 4.189 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.118 3.447 0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.610 2.693 0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 109 6.052 3.140 2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 109 6.055 1.604 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 109 6.530 1.633 3.537 1.00 0.00 H new ATOM 1690 N SER A 110 10.540 -1.271 2.318 1.00 0.00 N ATOM 1691 CA SER A 110 11.083 -2.560 1.905 1.00 0.00 C ATOM 1692 C SER A 110 11.020 -3.567 3.050 1.00 0.00 C ATOM 1693 O SER A 110 10.718 -4.742 2.843 1.00 0.00 O ATOM 1694 CB SER A 110 12.529 -2.400 1.431 1.00 0.00 C ATOM 1695 OG SER A 110 13.340 -1.835 2.447 1.00 0.00 O ATOM 0 H SER A 110 11.150 -0.476 2.129 1.00 0.00 H new ATOM 0 HA SER A 110 10.477 -2.935 1.080 1.00 0.00 H new ATOM 0 HB2 SER A 110 12.929 -3.371 1.140 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.556 -1.766 0.545 1.00 0.00 H new ATOM 0 HG SER A 110 13.315 -0.858 2.380 1.00 0.00 H new ATOM 1701 N LYS A 111 11.309 -3.098 4.259 1.00 0.00 N ATOM 1702 CA LYS A 111 11.284 -3.954 5.439 1.00 0.00 C ATOM 1703 C LYS A 111 9.868 -4.437 5.731 1.00 0.00 C ATOM 1704 O LYS A 111 9.672 -5.435 6.426 1.00 0.00 O ATOM 1705 CB LYS A 111 11.839 -3.203 6.651 1.00 0.00 C ATOM 1706 CG LYS A 111 13.342 -2.990 6.599 1.00 0.00 C ATOM 1707 CD LYS A 111 13.801 -1.992 7.648 1.00 0.00 C ATOM 1708 CE LYS A 111 14.065 -2.669 8.985 1.00 0.00 C ATOM 1709 NZ LYS A 111 14.938 -1.842 9.863 1.00 0.00 N ATOM 0 H LYS A 111 11.564 -2.128 4.447 1.00 0.00 H new ATOM 0 HA LYS A 111 11.911 -4.823 5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.346 -2.234 6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 111 11.590 -3.757 7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.851 -3.942 6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.626 -2.634 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.708 -1.494 7.306 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.042 -1.220 7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 111 13.117 -2.858 9.490 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.535 -3.638 8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.094 -2.338 10.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.852 -1.682 9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 14.479 -0.927 10.047 1.00 0.00 H new ATOM 1723 N PHE A 112 8.882 -3.724 5.196 1.00 0.00 N ATOM 1724 CA PHE A 112 7.483 -4.081 5.400 1.00 0.00 C ATOM 1725 C PHE A 112 6.989 -5.002 4.289 1.00 0.00 C ATOM 1726 O PHE A 112 6.234 -5.943 4.537 1.00 0.00 O ATOM 1727 CB PHE A 112 6.616 -2.821 5.456 1.00 0.00 C ATOM 1728 CG PHE A 112 5.166 -3.078 5.163 1.00 0.00 C ATOM 1729 CD1 PHE A 112 4.716 -3.176 3.856 1.00 0.00 C ATOM 1730 CD2 PHE A 112 4.252 -3.221 6.195 1.00 0.00 C ATOM 1731 CE1 PHE A 112 3.381 -3.411 3.584 1.00 0.00 C ATOM 1732 CE2 PHE A 112 2.916 -3.457 5.929 1.00 0.00 C ATOM 1733 CZ PHE A 112 2.481 -3.553 4.622 1.00 0.00 C ATOM 0 H PHE A 112 9.026 -2.896 4.618 1.00 0.00 H new ATOM 0 HA PHE A 112 7.404 -4.611 6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 112 6.705 -2.372 6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 112 7.000 -2.094 4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 112 5.416 -3.068 3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.587 -3.147 7.219 1.00 0.00 H new ATOM 0 HE1 PHE A 112 3.042 -3.483 2.561 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.214 -3.566 6.742 1.00 0.00 H new ATOM 0 HZ PHE A 112 1.438 -3.739 4.412 1.00 0.00 H new ATOM 1743 N ILE A 113 7.420 -4.725 3.063 1.00 0.00 N ATOM 1744 CA ILE A 113 7.023 -5.528 1.914 1.00 0.00 C ATOM 1745 C ILE A 113 7.687 -6.901 1.946 1.00 0.00 C ATOM 1746 O ILE A 113 7.022 -7.919 2.136 1.00 0.00 O ATOM 1747 CB ILE A 113 7.379 -4.830 0.588 1.00 0.00 C ATOM 1748 CG1 ILE A 113 6.659 -3.483 0.487 1.00 0.00 C ATOM 1749 CG2 ILE A 113 7.018 -5.719 -0.593 1.00 0.00 C ATOM 1750 CD1 ILE A 113 7.210 -2.583 -0.597 1.00 0.00 C ATOM 0 H ILE A 113 8.045 -3.950 2.840 1.00 0.00 H new ATOM 0 HA ILE A 113 5.941 -5.648 1.973 1.00 0.00 H new ATOM 0 HB ILE A 113 8.454 -4.650 0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.600 -3.659 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.730 -2.969 1.446 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.276 -5.211 -1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.571 -6.656 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 113 5.948 -5.927 -0.578 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.652 -1.647 -0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 113 8.262 -2.376 -0.398 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.114 -3.077 -1.564 1.00 0.00 H new ATOM 1762 N ASP A 114 9.003 -6.919 1.762 1.00 0.00 N ATOM 1763 CA ASP A 114 9.758 -8.166 1.773 1.00 0.00 C ATOM 1764 C ASP A 114 9.147 -9.163 2.752 1.00 0.00 C ATOM 1765 O ASP A 114 9.109 -10.364 2.487 1.00 0.00 O ATOM 1766 CB ASP A 114 11.219 -7.899 2.142 1.00 0.00 C ATOM 1767 CG ASP A 114 12.030 -7.395 0.965 1.00 0.00 C ATOM 1768 OD1 ASP A 114 11.849 -7.925 -0.152 1.00 0.00 O ATOM 1769 OD2 ASP A 114 12.847 -6.471 1.160 1.00 0.00 O ATOM 0 H ASP A 114 9.568 -6.085 1.604 1.00 0.00 H new ATOM 0 HA ASP A 114 9.717 -8.596 0.772 1.00 0.00 H new ATOM 0 HB2 ASP A 114 11.259 -7.166 2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 114 11.668 -8.816 2.523 1.00 0.00 H new ATOM 1774 N GLU A 115 8.672 -8.657 3.886 1.00 0.00 N ATOM 1775 CA GLU A 115 8.065 -9.504 4.905 1.00 0.00 C ATOM 1776 C GLU A 115 6.837 -10.223 4.355 1.00 0.00 C ATOM 1777 O GLU A 115 6.836 -11.446 4.203 1.00 0.00 O ATOM 1778 CB GLU A 115 7.675 -8.670 6.128 1.00 0.00 C ATOM 1779 CG GLU A 115 8.850 -8.322 7.027 1.00 0.00 C ATOM 1780 CD GLU A 115 9.253 -9.470 7.931 1.00 0.00 C ATOM 1781 OE1 GLU A 115 9.707 -10.508 7.406 1.00 0.00 O ATOM 1782 OE2 GLU A 115 9.114 -9.330 9.164 1.00 0.00 O ATOM 0 H GLU A 115 8.696 -7.665 4.122 1.00 0.00 H new ATOM 0 HA GLU A 115 8.800 -10.252 5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.200 -7.748 5.792 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.933 -9.218 6.709 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.701 -8.034 6.410 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.592 -7.457 7.638 1.00 0.00 H new ATOM 1789 N HIS A 116 5.793 -9.457 4.057 1.00 0.00 N ATOM 1790 CA HIS A 116 4.558 -10.020 3.523 1.00 0.00 C ATOM 1791 C HIS A 116 4.803 -10.678 2.168 1.00 0.00 C ATOM 1792 O HIS A 116 4.361 -11.800 1.924 1.00 0.00 O ATOM 1793 CB HIS A 116 3.493 -8.932 3.389 1.00 0.00 C ATOM 1794 CG HIS A 116 3.160 -8.256 4.683 1.00 0.00 C ATOM 1795 ND1 HIS A 116 2.509 -8.713 5.779 1.00 0.00 N flip ATOM 1796 CD2 HIS A 116 3.504 -6.950 4.961 1.00 0.00 C flip ATOM 1797 CE1 HIS A 116 2.473 -7.686 6.689 1.00 0.00 C flip ATOM 1798 NE2 HIS A 116 3.081 -6.633 6.172 1.00 0.00 N flip ATOM 0 H HIS A 116 5.777 -8.444 4.176 1.00 0.00 H new ATOM 0 HA HIS A 116 4.204 -10.781 4.218 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.838 -8.183 2.676 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.586 -9.372 2.975 1.00 0.00 H new ATOM 0 HD2 HIS A 116 4.036 -6.289 4.293 1.00 0.00 H new ATOM 0 HE1 HIS A 116 2.021 -7.731 7.669 1.00 0.00 H new ATOM 0 HE2 HIS A 116 3.203 -5.730 6.630 1.00 0.00 H new ATOM 1807 N ALA A 117 5.510 -9.973 1.292 1.00 0.00 N ATOM 1808 CA ALA A 117 5.814 -10.489 -0.037 1.00 0.00 C ATOM 1809 C ALA A 117 7.144 -11.234 -0.045 1.00 0.00 C ATOM 1810 O ALA A 117 8.191 -10.661 0.258 1.00 0.00 O ATOM 1811 CB ALA A 117 5.836 -9.356 -1.052 1.00 0.00 C ATOM 0 H ALA A 117 5.883 -9.042 1.479 1.00 0.00 H new ATOM 0 HA ALA A 117 5.030 -11.194 -0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 117 6.064 -9.757 -2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.861 -8.869 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.598 -8.630 -0.770 1.00 0.00 H new ATOM 1817 N THR A 118 7.097 -12.517 -0.393 1.00 0.00 N ATOM 1818 CA THR A 118 8.298 -13.341 -0.438 1.00 0.00 C ATOM 1819 C THR A 118 8.339 -14.184 -1.708 1.00 0.00 C ATOM 1820 O THR A 118 8.121 -15.395 -1.668 1.00 0.00 O ATOM 1821 CB THR A 118 8.388 -14.272 0.786 1.00 0.00 C ATOM 1822 OG1 THR A 118 9.645 -14.957 0.789 1.00 0.00 O ATOM 1823 CG2 THR A 118 7.252 -15.284 0.780 1.00 0.00 C ATOM 0 H THR A 118 6.240 -13.007 -0.648 1.00 0.00 H new ATOM 0 HA THR A 118 9.149 -12.660 -0.429 1.00 0.00 H new ATOM 0 HB THR A 118 8.306 -13.663 1.686 1.00 0.00 H new ATOM 0 HG1 THR A 118 9.695 -15.546 1.571 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.336 -15.931 1.653 1.00 0.00 H new ATOM 0 HG22 THR A 118 6.297 -14.759 0.808 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.308 -15.888 -0.125 1.00 0.00 H new ATOM 1831 N LYS A 119 8.620 -13.537 -2.834 1.00 0.00 N ATOM 1832 CA LYS A 119 8.691 -14.227 -4.116 1.00 0.00 C ATOM 1833 C LYS A 119 7.700 -15.386 -4.166 1.00 0.00 C ATOM 1834 O LYS A 119 7.995 -16.444 -4.723 1.00 0.00 O ATOM 1835 CB LYS A 119 10.110 -14.745 -4.361 1.00 0.00 C ATOM 1836 CG LYS A 119 11.114 -13.648 -4.667 1.00 0.00 C ATOM 1837 CD LYS A 119 12.269 -14.166 -5.507 1.00 0.00 C ATOM 1838 CE LYS A 119 11.987 -14.017 -6.994 1.00 0.00 C ATOM 1839 NZ LYS A 119 13.233 -14.100 -7.806 1.00 0.00 N ATOM 0 H LYS A 119 8.802 -12.535 -2.884 1.00 0.00 H new ATOM 0 HA LYS A 119 8.430 -13.515 -4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.443 -15.296 -3.482 1.00 0.00 H new ATOM 0 HB3 LYS A 119 10.092 -15.451 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 119 10.616 -12.835 -5.195 1.00 0.00 H new ATOM 0 HG3 LYS A 119 11.498 -13.235 -3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 119 13.179 -13.622 -5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 119 12.449 -15.215 -5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.294 -14.796 -7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 119 11.497 -13.060 -7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 12.998 -13.994 -8.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 13.885 -13.341 -7.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 13.687 -15.023 -7.652 1.00 0.00 H new ATOM 1853 N ARG A 120 6.524 -15.178 -3.583 1.00 0.00 N ATOM 1854 CA ARG A 120 5.489 -16.205 -3.562 1.00 0.00 C ATOM 1855 C ARG A 120 5.147 -16.661 -4.978 1.00 0.00 C ATOM 1856 O ARG A 120 5.175 -15.869 -5.920 1.00 0.00 O ATOM 1857 CB ARG A 120 4.233 -15.679 -2.867 1.00 0.00 C ATOM 1858 CG ARG A 120 3.332 -14.858 -3.775 1.00 0.00 C ATOM 1859 CD ARG A 120 1.899 -14.836 -3.267 1.00 0.00 C ATOM 1860 NE ARG A 120 0.945 -14.545 -4.334 1.00 0.00 N ATOM 1861 CZ ARG A 120 0.745 -15.342 -5.378 1.00 0.00 C ATOM 1862 NH1 ARG A 120 1.429 -16.472 -5.494 1.00 0.00 N ATOM 1863 NH2 ARG A 120 -0.142 -15.009 -6.307 1.00 0.00 N ATOM 0 H ARG A 120 6.264 -14.308 -3.119 1.00 0.00 H new ATOM 0 HA ARG A 120 5.872 -17.060 -3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.666 -16.522 -2.473 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.529 -15.068 -2.014 1.00 0.00 H new ATOM 0 HG2 ARG A 120 3.712 -13.838 -3.840 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.355 -15.272 -4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 120 1.658 -15.800 -2.818 1.00 0.00 H new ATOM 0 HD3 ARG A 120 1.804 -14.086 -2.481 1.00 0.00 H new ATOM 0 HE ARG A 120 0.403 -13.683 -4.274 1.00 0.00 H new ATOM 0 HH11 ARG A 120 2.111 -16.731 -4.781 1.00 0.00 H new ATOM 0 HH12 ARG A 120 1.274 -17.082 -6.296 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.670 -14.141 -6.220 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.295 -15.621 -7.108 1.00 0.00 H new ATOM 1877 N SER A 121 4.826 -17.943 -5.120 1.00 0.00 N ATOM 1878 CA SER A 121 4.482 -18.505 -6.420 1.00 0.00 C ATOM 1879 C SER A 121 3.186 -19.306 -6.341 1.00 0.00 C ATOM 1880 O SER A 121 2.211 -18.998 -7.027 1.00 0.00 O ATOM 1881 CB SER A 121 5.616 -19.398 -6.928 1.00 0.00 C ATOM 1882 OG SER A 121 5.983 -20.360 -5.955 1.00 0.00 O ATOM 0 H SER A 121 4.797 -18.612 -4.350 1.00 0.00 H new ATOM 0 HA SER A 121 4.336 -17.680 -7.118 1.00 0.00 H new ATOM 0 HB2 SER A 121 5.304 -19.902 -7.843 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.481 -18.784 -7.181 1.00 0.00 H new ATOM 0 HG SER A 121 6.708 -20.919 -6.305 1.00 0.00 H new ATOM 1888 N ARG A 122 3.183 -20.334 -5.499 1.00 0.00 N ATOM 1889 CA ARG A 122 2.008 -21.180 -5.330 1.00 0.00 C ATOM 1890 C ARG A 122 0.726 -20.364 -5.469 1.00 0.00 C ATOM 1891 O ARG A 122 0.656 -19.217 -5.027 1.00 0.00 O ATOM 1892 CB ARG A 122 2.041 -21.869 -3.964 1.00 0.00 C ATOM 1893 CG ARG A 122 1.651 -20.956 -2.813 1.00 0.00 C ATOM 1894 CD ARG A 122 2.822 -20.097 -2.362 1.00 0.00 C ATOM 1895 NE ARG A 122 2.380 -18.881 -1.684 1.00 0.00 N ATOM 1896 CZ ARG A 122 1.908 -18.862 -0.443 1.00 0.00 C ATOM 1897 NH1 ARG A 122 1.819 -19.987 0.253 1.00 0.00 N ATOM 1898 NH2 ARG A 122 1.525 -17.716 0.106 1.00 0.00 N ATOM 0 H ARG A 122 3.981 -20.601 -4.923 1.00 0.00 H new ATOM 0 HA ARG A 122 2.022 -21.939 -6.112 1.00 0.00 H new ATOM 0 HB2 ARG A 122 1.367 -22.725 -3.982 1.00 0.00 H new ATOM 0 HB3 ARG A 122 3.044 -22.256 -3.786 1.00 0.00 H new ATOM 0 HG2 ARG A 122 0.825 -20.315 -3.120 1.00 0.00 H new ATOM 0 HG3 ARG A 122 1.295 -21.556 -1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.458 -20.675 -1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 122 3.430 -19.830 -3.227 1.00 0.00 H new ATOM 0 HE ARG A 122 2.437 -17.998 -2.192 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.113 -20.870 -0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 122 1.456 -19.970 1.206 1.00 0.00 H new ATOM 0 HH21 ARG A 122 1.593 -16.848 -0.425 1.00 0.00 H new ATOM 0 HH22 ARG A 122 1.163 -17.703 1.059 1.00 0.00 H new ATOM 1912 N THR A 123 -0.287 -20.963 -6.088 1.00 0.00 N ATOM 1913 CA THR A 123 -1.565 -20.293 -6.287 1.00 0.00 C ATOM 1914 C THR A 123 -2.718 -21.290 -6.268 1.00 0.00 C ATOM 1915 O THR A 123 -2.506 -22.497 -6.156 1.00 0.00 O ATOM 1916 CB THR A 123 -1.592 -19.520 -7.620 1.00 0.00 C ATOM 1917 OG1 THR A 123 -1.120 -20.357 -8.681 1.00 0.00 O ATOM 1918 CG2 THR A 123 -0.734 -18.266 -7.536 1.00 0.00 C ATOM 0 H THR A 123 -0.246 -21.912 -6.460 1.00 0.00 H new ATOM 0 HA THR A 123 -1.684 -19.589 -5.464 1.00 0.00 H new ATOM 0 HB THR A 123 -2.621 -19.224 -7.822 1.00 0.00 H new ATOM 0 HG1 THR A 123 -1.142 -19.859 -9.525 1.00 0.00 H new ATOM 0 HG21 THR A 123 -0.769 -17.737 -8.488 1.00 0.00 H new ATOM 0 HG22 THR A 123 -1.114 -17.617 -6.747 1.00 0.00 H new ATOM 0 HG23 THR A 123 0.296 -18.544 -7.313 1.00 0.00 H new ATOM 1926 N LYS A 124 -3.939 -20.777 -6.378 1.00 0.00 N ATOM 1927 CA LYS A 124 -5.127 -21.623 -6.375 1.00 0.00 C ATOM 1928 C LYS A 124 -5.875 -21.514 -7.700 1.00 0.00 C ATOM 1929 O LYS A 124 -6.465 -22.486 -8.171 1.00 0.00 O ATOM 1930 CB LYS A 124 -6.053 -21.232 -5.221 1.00 0.00 C ATOM 1931 CG LYS A 124 -7.310 -22.080 -5.137 1.00 0.00 C ATOM 1932 CD LYS A 124 -8.390 -21.396 -4.315 1.00 0.00 C ATOM 1933 CE LYS A 124 -9.762 -21.991 -4.591 1.00 0.00 C ATOM 1934 NZ LYS A 124 -9.956 -23.288 -3.886 1.00 0.00 N ATOM 0 H LYS A 124 -4.132 -19.780 -6.470 1.00 0.00 H new ATOM 0 HA LYS A 124 -4.807 -22.656 -6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -5.505 -21.315 -4.282 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -6.337 -20.186 -5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -7.685 -22.276 -6.141 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -7.070 -23.046 -4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -8.157 -21.492 -3.255 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -8.402 -20.330 -4.543 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -10.533 -21.288 -4.276 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -9.885 -22.139 -5.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -10.903 -23.661 -4.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -9.236 -23.968 -4.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -9.864 -23.143 -2.860 1.00 0.00 H new ATOM 1948 N GLU A 125 -5.845 -20.326 -8.296 1.00 0.00 N ATOM 1949 CA GLU A 125 -6.520 -20.092 -9.567 1.00 0.00 C ATOM 1950 C GLU A 125 -5.554 -20.263 -10.736 1.00 0.00 C ATOM 1951 O GLU A 125 -5.057 -19.284 -11.292 1.00 0.00 O ATOM 1952 CB GLU A 125 -7.129 -18.689 -9.596 1.00 0.00 C ATOM 1953 CG GLU A 125 -8.190 -18.464 -8.531 1.00 0.00 C ATOM 1954 CD GLU A 125 -9.234 -19.563 -8.507 1.00 0.00 C ATOM 1955 OE1 GLU A 125 -10.190 -19.492 -9.308 1.00 0.00 O ATOM 1956 OE2 GLU A 125 -9.096 -20.494 -7.686 1.00 0.00 O ATOM 0 H GLU A 125 -5.361 -19.511 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 125 -7.317 -20.829 -9.666 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -6.334 -17.954 -9.466 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.569 -18.513 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -7.711 -18.401 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -8.680 -17.506 -8.708 1.00 0.00 H new ATOM 1963 N GLU A 126 -5.293 -21.514 -11.103 1.00 0.00 N ATOM 1964 CA GLU A 126 -4.386 -21.814 -12.204 1.00 0.00 C ATOM 1965 C GLU A 126 -5.120 -21.771 -13.541 1.00 0.00 C ATOM 1966 O GLU A 126 -4.499 -21.685 -14.601 1.00 0.00 O ATOM 1967 CB GLU A 126 -3.744 -23.188 -12.006 1.00 0.00 C ATOM 1968 CG GLU A 126 -2.816 -23.596 -13.138 1.00 0.00 C ATOM 1969 CD GLU A 126 -2.347 -25.033 -13.020 1.00 0.00 C ATOM 1970 OE1 GLU A 126 -1.544 -25.321 -12.108 1.00 0.00 O ATOM 1971 OE2 GLU A 126 -2.782 -25.869 -13.839 1.00 0.00 O ATOM 0 H GLU A 126 -5.697 -22.336 -10.654 1.00 0.00 H new ATOM 0 HA GLU A 126 -3.604 -21.054 -12.214 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -3.184 -23.186 -11.071 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -4.531 -23.936 -11.905 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -3.330 -23.463 -14.090 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -1.949 -22.935 -13.148 1.00 0.00 H new ATOM 1978 N LEU A 127 -6.446 -21.832 -13.483 1.00 0.00 N ATOM 1979 CA LEU A 127 -7.267 -21.801 -14.688 1.00 0.00 C ATOM 1980 C LEU A 127 -6.903 -20.607 -15.564 1.00 0.00 C ATOM 1981 O LEU A 127 -6.935 -19.462 -15.114 1.00 0.00 O ATOM 1982 CB LEU A 127 -8.750 -21.744 -14.318 1.00 0.00 C ATOM 1983 CG LEU A 127 -9.392 -23.070 -13.908 1.00 0.00 C ATOM 1984 CD1 LEU A 127 -9.275 -23.278 -12.406 1.00 0.00 C ATOM 1985 CD2 LEU A 127 -10.849 -23.114 -14.343 1.00 0.00 C ATOM 0 H LEU A 127 -6.975 -21.903 -12.614 1.00 0.00 H new ATOM 0 HA LEU A 127 -7.075 -22.714 -15.252 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -8.872 -21.036 -13.499 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -9.301 -21.345 -15.169 1.00 0.00 H new ATOM 0 HG LEU A 127 -8.860 -23.879 -14.408 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -9.737 -24.227 -12.133 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -8.223 -23.292 -12.121 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -9.781 -22.465 -11.886 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -11.290 -24.065 -14.043 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -11.394 -22.296 -13.872 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -10.908 -23.012 -15.427 1.00 0.00 H new ATOM 1997 N SER A 128 -6.559 -20.882 -16.819 1.00 0.00 N ATOM 1998 CA SER A 128 -6.188 -19.831 -17.758 1.00 0.00 C ATOM 1999 C SER A 128 -7.235 -19.690 -18.858 1.00 0.00 C ATOM 2000 O SER A 128 -7.589 -20.664 -19.522 1.00 0.00 O ATOM 2001 CB SER A 128 -4.820 -20.128 -18.375 1.00 0.00 C ATOM 2002 OG SER A 128 -4.880 -21.258 -19.228 1.00 0.00 O ATOM 0 H SER A 128 -6.530 -21.824 -17.208 1.00 0.00 H new ATOM 0 HA SER A 128 -6.134 -18.891 -17.209 1.00 0.00 H new ATOM 0 HB2 SER A 128 -4.476 -19.261 -18.939 1.00 0.00 H new ATOM 0 HB3 SER A 128 -4.091 -20.304 -17.584 1.00 0.00 H new ATOM 0 HG SER A 128 -5.780 -21.334 -19.608 1.00 0.00 H new ATOM 2008 N GLY A 129 -7.727 -18.470 -19.046 1.00 0.00 N ATOM 2009 CA GLY A 129 -8.729 -18.223 -20.067 1.00 0.00 C ATOM 2010 C GLY A 129 -9.373 -16.858 -19.929 1.00 0.00 C ATOM 2011 O GLY A 129 -10.407 -16.698 -19.281 1.00 0.00 O ATOM 0 H GLY A 129 -7.450 -17.648 -18.510 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -8.268 -18.306 -21.051 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -9.499 -18.992 -20.009 1.00 0.00 H new ATOM 2015 N PRO A 130 -8.754 -15.842 -20.549 1.00 0.00 N ATOM 2016 CA PRO A 130 -9.255 -14.465 -20.506 1.00 0.00 C ATOM 2017 C PRO A 130 -10.545 -14.293 -21.301 1.00 0.00 C ATOM 2018 O PRO A 130 -11.092 -13.193 -21.385 1.00 0.00 O ATOM 2019 CB PRO A 130 -8.123 -13.655 -21.143 1.00 0.00 C ATOM 2020 CG PRO A 130 -7.414 -14.625 -22.024 1.00 0.00 C ATOM 2021 CD PRO A 130 -7.518 -15.959 -21.340 1.00 0.00 C ATOM 0 HA PRO A 130 -9.502 -14.153 -19.491 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -8.512 -12.812 -21.714 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -7.454 -13.245 -20.386 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -7.869 -14.658 -23.014 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -6.372 -14.337 -22.162 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -7.577 -16.776 -22.059 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -6.653 -16.154 -20.707 1.00 0.00 H new ATOM 2029 N SER A 131 -11.028 -15.387 -21.882 1.00 0.00 N ATOM 2030 CA SER A 131 -12.253 -15.355 -22.673 1.00 0.00 C ATOM 2031 C SER A 131 -13.479 -15.244 -21.771 1.00 0.00 C ATOM 2032 O SER A 131 -14.290 -14.331 -21.919 1.00 0.00 O ATOM 2033 CB SER A 131 -12.356 -16.610 -23.541 1.00 0.00 C ATOM 2034 OG SER A 131 -13.158 -16.374 -24.685 1.00 0.00 O ATOM 0 H SER A 131 -10.590 -16.306 -21.820 1.00 0.00 H new ATOM 0 HA SER A 131 -12.218 -14.477 -23.318 1.00 0.00 H new ATOM 0 HB2 SER A 131 -11.359 -16.925 -23.850 1.00 0.00 H new ATOM 0 HB3 SER A 131 -12.781 -17.426 -22.957 1.00 0.00 H new ATOM 0 HG SER A 131 -13.207 -17.191 -25.224 1.00 0.00 H new ATOM 2040 N SER A 132 -13.605 -16.181 -20.837 1.00 0.00 N ATOM 2041 CA SER A 132 -14.734 -16.192 -19.914 1.00 0.00 C ATOM 2042 C SER A 132 -14.365 -16.902 -18.614 1.00 0.00 C ATOM 2043 O SER A 132 -13.293 -17.495 -18.500 1.00 0.00 O ATOM 2044 CB SER A 132 -15.941 -16.878 -20.558 1.00 0.00 C ATOM 2045 OG SER A 132 -15.801 -18.288 -20.531 1.00 0.00 O ATOM 0 H SER A 132 -12.940 -16.942 -20.699 1.00 0.00 H new ATOM 0 HA SER A 132 -14.993 -15.159 -19.683 1.00 0.00 H new ATOM 0 HB2 SER A 132 -16.851 -16.590 -20.031 1.00 0.00 H new ATOM 0 HB3 SER A 132 -16.048 -16.540 -21.589 1.00 0.00 H new ATOM 0 HG SER A 132 -16.586 -18.703 -20.947 1.00 0.00 H new ATOM 2051 N GLY A 133 -15.263 -16.836 -17.636 1.00 0.00 N ATOM 2052 CA GLY A 133 -15.015 -17.476 -16.357 1.00 0.00 C ATOM 2053 C GLY A 133 -15.942 -16.973 -15.268 1.00 0.00 C ATOM 2054 O GLY A 133 -16.145 -15.768 -15.124 1.00 0.00 O ATOM 0 H GLY A 133 -16.158 -16.351 -17.706 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -15.136 -18.554 -16.464 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -13.981 -17.299 -16.060 1.00 0.00 H new TER 2058 GLY A 133