USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1078 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 130 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 134 MET CE :methyl 153:sc= -8.37! (180deg=-11.9!) USER MOD Set 2.1: A 55 LYS NZ :NH3+ -154:sc= 0.0564 (180deg=0) USER MOD Set 2.2: A 109 GLN :FLIP amide:sc= -0.833 F(o=-1.7!,f=-0.78) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -44:sc= 0.705 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 150:sc= -0.258 USER MOD Single : A 14 LYS NZ :NH3+ 175:sc= -0.189 (180deg=-0.194) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 HIS : no HD1:sc= -0.918 K(o=-0.92,f=-2.3) USER MOD Single : A 33 THR OG1 : rot 71:sc= 0.0371 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -53:sc= 1.15 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.255 K(o=-0.25,f=-4.2!) USER MOD Single : A 51 CYS SG : rot 71:sc= 0.584 USER MOD Single : A 56 LYS NZ :NH3+ 161:sc= -0.131 (180deg=-0.607) USER MOD Single : A 57 SER OG : rot 63:sc= -1.25 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.193 X(o=-0.19,f=-0.17) USER MOD Single : A 62 GLN :FLIP amide:sc= -1.99! C(o=-3.1!,f=-2!) USER MOD Single : A 64 HIS :FLIP no HD1:sc= 0.0555 F(o=-0.73,f=0.055) USER MOD Single : A 66 LYS NZ :NH3+ -150:sc= 0.421 (180deg=0.188) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -6.18! C(o=-6.2!,f=-9.2!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 147:sc= 0.121 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.026) USER MOD Single : A 89 THR OG1 : rot 53:sc= 1.12 USER MOD Single : A 90 LYS NZ :NH3+ -164:sc= 0.614 (180deg=0.461) USER MOD Single : A 94 THR OG1 : rot 78:sc= 1.29 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot -43:sc= 0.936 USER MOD Single : A 98 THR OG1 : rot -19:sc= 0.103 USER MOD Single : A 99 GLN : amide:sc= -0.156 K(o=-0.16,f=-1.7!) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.0622 F(o=-0.7,f=-0.062) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 MET CE :methyl -176:sc= -4.15! (180deg=-4.39!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 120 SER OG : rot 120:sc= 0.707 USER MOD Single : A 121 TYR OH : rot 152:sc= -0.77 USER MOD Single : A 122 THR OG1 : rot -141:sc= 0.972 USER MOD Single : A 126 LYS NZ :NH3+ 163:sc= -0.0201 (180deg=-0.244) USER MOD Single : A 127 SER OG : rot -83:sc= 1.22 USER MOD Single : A 135 SER OG : rot -61:sc= 0.256 USER MOD Single : A 138 SER OG : rot 34:sc= 0.141 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.848 7.287 -0.944 1.00 0.00 N ATOM 2 CA GLY A 1 -12.526 8.503 -0.220 1.00 0.00 C ATOM 3 C GLY A 1 -13.123 8.525 1.172 1.00 0.00 C ATOM 4 O GLY A 1 -12.504 8.058 2.128 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.417 7.321 -1.890 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.478 6.465 -0.424 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.880 7.202 -1.037 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.443 8.604 -0.149 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.890 9.363 -0.782 1.00 0.00 H new ATOM 8 N SER A 2 -14.330 9.072 1.288 1.00 0.00 N ATOM 9 CA SER A 2 -15.009 9.159 2.576 1.00 0.00 C ATOM 10 C SER A 2 -15.413 7.774 3.072 1.00 0.00 C ATOM 11 O SER A 2 -14.996 7.340 4.144 1.00 0.00 O ATOM 12 CB SER A 2 -16.244 10.055 2.465 1.00 0.00 C ATOM 13 OG SER A 2 -16.562 10.642 3.716 1.00 0.00 O ATOM 0 H SER A 2 -14.857 9.461 0.506 1.00 0.00 H new ATOM 0 HA SER A 2 -14.316 9.595 3.296 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.065 10.837 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.091 9.469 2.109 1.00 0.00 H new ATOM 0 HG SER A 2 -17.354 11.211 3.618 1.00 0.00 H new ATOM 19 N SER A 3 -16.230 7.085 2.280 1.00 0.00 N ATOM 20 CA SER A 3 -16.696 5.752 2.639 1.00 0.00 C ATOM 21 C SER A 3 -16.912 4.898 1.392 1.00 0.00 C ATOM 22 O SER A 3 -17.125 5.420 0.298 1.00 0.00 O ATOM 23 CB SER A 3 -17.995 5.840 3.442 1.00 0.00 C ATOM 24 OG SER A 3 -18.174 4.690 4.251 1.00 0.00 O ATOM 0 H SER A 3 -16.582 7.429 1.386 1.00 0.00 H new ATOM 0 HA SER A 3 -15.930 5.280 3.254 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.978 6.731 4.070 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.840 5.945 2.762 1.00 0.00 H new ATOM 0 HG SER A 3 -19.010 4.772 4.755 1.00 0.00 H new ATOM 30 N GLY A 4 -16.857 3.581 1.567 1.00 0.00 N ATOM 31 CA GLY A 4 -17.050 2.677 0.449 1.00 0.00 C ATOM 32 C GLY A 4 -16.102 1.494 0.490 1.00 0.00 C ATOM 33 O GLY A 4 -14.892 1.654 0.325 1.00 0.00 O ATOM 0 H GLY A 4 -16.682 3.125 2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.078 2.315 0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.906 3.222 -0.484 1.00 0.00 H new ATOM 37 N SER A 5 -16.651 0.305 0.713 1.00 0.00 N ATOM 38 CA SER A 5 -15.845 -0.909 0.781 1.00 0.00 C ATOM 39 C SER A 5 -15.878 -1.658 -0.547 1.00 0.00 C ATOM 40 O SER A 5 -15.550 -2.843 -0.612 1.00 0.00 O ATOM 41 CB SER A 5 -16.348 -1.818 1.905 1.00 0.00 C ATOM 42 OG SER A 5 -15.469 -2.911 2.108 1.00 0.00 O ATOM 0 H SER A 5 -17.651 0.156 0.850 1.00 0.00 H new ATOM 0 HA SER A 5 -14.815 -0.620 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.440 -1.245 2.827 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.343 -2.188 1.660 1.00 0.00 H new ATOM 0 HG SER A 5 -15.202 -3.282 1.241 1.00 0.00 H new ATOM 48 N SER A 6 -16.275 -0.958 -1.605 1.00 0.00 N ATOM 49 CA SER A 6 -16.355 -1.557 -2.932 1.00 0.00 C ATOM 50 C SER A 6 -15.067 -1.317 -3.714 1.00 0.00 C ATOM 51 O SER A 6 -14.425 -2.259 -4.178 1.00 0.00 O ATOM 52 CB SER A 6 -17.546 -0.985 -3.702 1.00 0.00 C ATOM 53 OG SER A 6 -18.757 -1.188 -2.994 1.00 0.00 O ATOM 0 H SER A 6 -16.546 0.025 -1.569 1.00 0.00 H new ATOM 0 HA SER A 6 -16.492 -2.632 -2.811 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.395 0.081 -3.872 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.610 -1.458 -4.682 1.00 0.00 H new ATOM 0 HG SER A 6 -19.503 -0.812 -3.507 1.00 0.00 H new ATOM 59 N GLY A 7 -14.695 -0.049 -3.855 1.00 0.00 N ATOM 60 CA GLY A 7 -13.486 0.293 -4.582 1.00 0.00 C ATOM 61 C GLY A 7 -13.768 1.117 -5.822 1.00 0.00 C ATOM 62 O GLY A 7 -14.618 2.008 -5.805 1.00 0.00 O ATOM 0 H GLY A 7 -15.209 0.748 -3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.816 0.848 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.967 -0.622 -4.868 1.00 0.00 H new ATOM 66 N SER A 8 -13.052 0.822 -6.903 1.00 0.00 N ATOM 67 CA SER A 8 -13.225 1.546 -8.156 1.00 0.00 C ATOM 68 C SER A 8 -12.748 0.708 -9.338 1.00 0.00 C ATOM 69 O SER A 8 -11.563 0.404 -9.477 1.00 0.00 O ATOM 70 CB SER A 8 -12.462 2.871 -8.114 1.00 0.00 C ATOM 71 OG SER A 8 -12.610 3.584 -9.330 1.00 0.00 O ATOM 0 H SER A 8 -12.346 0.086 -6.935 1.00 0.00 H new ATOM 0 HA SER A 8 -14.288 1.751 -8.284 1.00 0.00 H new ATOM 0 HB2 SER A 8 -12.827 3.478 -7.286 1.00 0.00 H new ATOM 0 HB3 SER A 8 -11.405 2.680 -7.927 1.00 0.00 H new ATOM 0 HG SER A 8 -12.560 4.547 -9.153 1.00 0.00 H new ATOM 77 N PRO A 9 -13.691 0.326 -10.211 1.00 0.00 N ATOM 78 CA PRO A 9 -13.392 -0.482 -11.397 1.00 0.00 C ATOM 79 C PRO A 9 -12.600 0.296 -12.443 1.00 0.00 C ATOM 80 O PRO A 9 -11.906 -0.291 -13.271 1.00 0.00 O ATOM 81 CB PRO A 9 -14.777 -0.847 -11.937 1.00 0.00 C ATOM 82 CG PRO A 9 -15.672 0.237 -11.445 1.00 0.00 C ATOM 83 CD PRO A 9 -15.123 0.653 -10.108 1.00 0.00 C ATOM 0 HA PRO A 9 -12.773 -1.346 -11.156 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -14.777 -0.897 -13.026 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -15.099 -1.823 -11.573 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -15.686 1.077 -12.140 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -16.699 -0.117 -11.352 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -15.280 1.715 -9.922 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.601 0.112 -9.291 1.00 0.00 H new ATOM 91 N GLU A 10 -12.710 1.620 -12.398 1.00 0.00 N ATOM 92 CA GLU A 10 -12.004 2.477 -13.343 1.00 0.00 C ATOM 93 C GLU A 10 -10.510 2.508 -13.038 1.00 0.00 C ATOM 94 O GLU A 10 -9.681 2.526 -13.948 1.00 0.00 O ATOM 95 CB GLU A 10 -12.574 3.898 -13.302 1.00 0.00 C ATOM 96 CG GLU A 10 -12.122 4.768 -14.462 1.00 0.00 C ATOM 97 CD GLU A 10 -12.702 6.168 -14.401 1.00 0.00 C ATOM 98 OE1 GLU A 10 -13.939 6.302 -14.510 1.00 0.00 O ATOM 99 OE2 GLU A 10 -11.919 7.128 -14.246 1.00 0.00 O ATOM 0 H GLU A 10 -13.281 2.122 -11.718 1.00 0.00 H new ATOM 0 HA GLU A 10 -12.145 2.065 -14.342 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.663 3.844 -13.302 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.278 4.372 -12.366 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.034 4.829 -14.463 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.416 4.298 -15.400 1.00 0.00 H new ATOM 106 N GLU A 11 -10.174 2.515 -11.752 1.00 0.00 N ATOM 107 CA GLU A 11 -8.779 2.545 -11.327 1.00 0.00 C ATOM 108 C GLU A 11 -8.140 1.166 -11.460 1.00 0.00 C ATOM 109 O GLU A 11 -6.969 1.044 -11.818 1.00 0.00 O ATOM 110 CB GLU A 11 -8.674 3.031 -9.880 1.00 0.00 C ATOM 111 CG GLU A 11 -9.291 4.400 -9.652 1.00 0.00 C ATOM 112 CD GLU A 11 -8.744 5.452 -10.598 1.00 0.00 C ATOM 113 OE1 GLU A 11 -7.615 5.270 -11.098 1.00 0.00 O ATOM 114 OE2 GLU A 11 -9.447 6.456 -10.838 1.00 0.00 O ATOM 0 H GLU A 11 -10.848 2.500 -10.987 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.243 3.238 -11.975 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.162 2.308 -9.226 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.623 3.063 -9.591 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.372 4.332 -9.776 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.107 4.711 -8.624 1.00 0.00 H new ATOM 121 N ALA A 12 -8.918 0.128 -11.166 1.00 0.00 N ATOM 122 CA ALA A 12 -8.430 -1.242 -11.254 1.00 0.00 C ATOM 123 C ALA A 12 -7.845 -1.529 -12.632 1.00 0.00 C ATOM 124 O ALA A 12 -6.692 -1.946 -12.754 1.00 0.00 O ATOM 125 CB ALA A 12 -9.550 -2.223 -10.939 1.00 0.00 C ATOM 0 H ALA A 12 -9.889 0.211 -10.865 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.636 -1.366 -10.518 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.171 -3.243 -11.009 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.920 -2.041 -9.930 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.363 -2.089 -11.653 1.00 0.00 H new ATOM 131 N VAL A 13 -8.646 -1.304 -13.669 1.00 0.00 N ATOM 132 CA VAL A 13 -8.206 -1.539 -15.039 1.00 0.00 C ATOM 133 C VAL A 13 -6.883 -0.836 -15.320 1.00 0.00 C ATOM 134 O VAL A 13 -6.038 -1.350 -16.054 1.00 0.00 O ATOM 135 CB VAL A 13 -9.258 -1.055 -16.056 1.00 0.00 C ATOM 136 CG1 VAL A 13 -9.630 0.397 -15.790 1.00 0.00 C ATOM 137 CG2 VAL A 13 -8.744 -1.229 -17.477 1.00 0.00 C ATOM 0 H VAL A 13 -9.602 -0.959 -13.586 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.072 -2.615 -15.149 1.00 0.00 H new ATOM 0 HB VAL A 13 -10.156 -1.663 -15.941 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.374 0.721 -16.518 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.042 0.489 -14.785 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.741 1.022 -15.877 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.499 -0.882 -18.182 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.831 -0.647 -17.608 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.532 -2.282 -17.661 1.00 0.00 H new ATOM 147 N LYS A 14 -6.707 0.341 -14.731 1.00 0.00 N ATOM 148 CA LYS A 14 -5.485 1.115 -14.915 1.00 0.00 C ATOM 149 C LYS A 14 -4.327 0.495 -14.139 1.00 0.00 C ATOM 150 O LYS A 14 -3.235 0.312 -14.678 1.00 0.00 O ATOM 151 CB LYS A 14 -5.700 2.561 -14.462 1.00 0.00 C ATOM 152 CG LYS A 14 -6.855 3.253 -15.166 1.00 0.00 C ATOM 153 CD LYS A 14 -7.056 4.668 -14.647 1.00 0.00 C ATOM 154 CE LYS A 14 -8.400 5.234 -15.081 1.00 0.00 C ATOM 155 NZ LYS A 14 -8.942 6.200 -14.085 1.00 0.00 N ATOM 0 H LYS A 14 -7.396 0.781 -14.121 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.235 1.106 -15.976 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.881 2.573 -13.387 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.786 3.128 -14.638 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.664 3.281 -16.239 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.769 2.677 -15.020 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.993 4.670 -13.559 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.254 5.309 -15.014 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.291 5.730 -16.046 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.110 4.419 -15.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.815 6.627 -14.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.150 5.702 -13.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.240 6.947 -13.908 1.00 0.00 H new ATOM 169 N TRP A 15 -4.574 0.173 -12.875 1.00 0.00 N ATOM 170 CA TRP A 15 -3.550 -0.428 -12.027 1.00 0.00 C ATOM 171 C TRP A 15 -2.708 -1.425 -12.813 1.00 0.00 C ATOM 172 O TRP A 15 -1.482 -1.332 -12.839 1.00 0.00 O ATOM 173 CB TRP A 15 -4.198 -1.121 -10.826 1.00 0.00 C ATOM 174 CG TRP A 15 -4.903 -0.175 -9.903 1.00 0.00 C ATOM 175 CD1 TRP A 15 -4.800 1.186 -9.889 1.00 0.00 C ATOM 176 CD2 TRP A 15 -5.820 -0.520 -8.858 1.00 0.00 C ATOM 177 NE1 TRP A 15 -5.597 1.708 -8.898 1.00 0.00 N ATOM 178 CE2 TRP A 15 -6.233 0.682 -8.253 1.00 0.00 C ATOM 179 CE3 TRP A 15 -6.333 -1.728 -8.377 1.00 0.00 C ATOM 180 CZ2 TRP A 15 -7.134 0.709 -7.191 1.00 0.00 C ATOM 181 CZ3 TRP A 15 -7.226 -1.701 -7.323 1.00 0.00 C ATOM 182 CH2 TRP A 15 -7.620 -0.489 -6.740 1.00 0.00 C ATOM 0 H TRP A 15 -5.473 0.317 -12.415 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.895 0.367 -11.670 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.910 -1.865 -11.185 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.431 -1.658 -10.268 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.183 1.767 -10.558 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -5.698 2.699 -8.679 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.036 -2.666 -8.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -7.438 1.642 -6.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.627 -2.629 -6.942 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -8.321 -0.500 -5.919 1.00 0.00 H new ATOM 193 N GLY A 16 -3.375 -2.381 -13.453 1.00 0.00 N ATOM 194 CA GLY A 16 -2.670 -3.383 -14.232 1.00 0.00 C ATOM 195 C GLY A 16 -1.574 -2.785 -15.090 1.00 0.00 C ATOM 196 O GLY A 16 -0.515 -3.387 -15.264 1.00 0.00 O ATOM 0 H GLY A 16 -4.390 -2.480 -13.446 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.237 -4.123 -13.559 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.380 -3.909 -14.870 1.00 0.00 H new ATOM 200 N GLU A 17 -1.829 -1.597 -15.630 1.00 0.00 N ATOM 201 CA GLU A 17 -0.855 -0.919 -16.478 1.00 0.00 C ATOM 202 C GLU A 17 0.568 -1.218 -16.018 1.00 0.00 C ATOM 203 O GLU A 17 1.402 -1.675 -16.801 1.00 0.00 O ATOM 204 CB GLU A 17 -1.100 0.592 -16.465 1.00 0.00 C ATOM 205 CG GLU A 17 -2.247 1.030 -17.361 1.00 0.00 C ATOM 206 CD GLU A 17 -2.884 2.327 -16.900 1.00 0.00 C ATOM 207 OE1 GLU A 17 -2.224 3.078 -16.152 1.00 0.00 O ATOM 208 OE2 GLU A 17 -4.041 2.590 -17.288 1.00 0.00 O ATOM 0 H GLU A 17 -2.701 -1.085 -15.496 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.975 -1.291 -17.495 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.307 0.909 -15.443 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.189 1.102 -16.779 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.881 1.151 -18.380 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.004 0.246 -17.385 1.00 0.00 H new ATOM 215 N SER A 18 0.840 -0.957 -14.744 1.00 0.00 N ATOM 216 CA SER A 18 2.163 -1.195 -14.179 1.00 0.00 C ATOM 217 C SER A 18 2.113 -1.188 -12.655 1.00 0.00 C ATOM 218 O SER A 18 1.185 -0.646 -12.055 1.00 0.00 O ATOM 219 CB SER A 18 3.149 -0.134 -14.673 1.00 0.00 C ATOM 220 OG SER A 18 4.489 -0.553 -14.480 1.00 0.00 O ATOM 0 H SER A 18 0.161 -0.580 -14.083 1.00 0.00 H new ATOM 0 HA SER A 18 2.501 -2.178 -14.509 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.975 0.064 -15.731 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.977 0.802 -14.141 1.00 0.00 H new ATOM 0 HG SER A 18 5.099 0.142 -14.805 1.00 0.00 H new ATOM 226 N PHE A 19 3.119 -1.795 -12.034 1.00 0.00 N ATOM 227 CA PHE A 19 3.191 -1.861 -10.579 1.00 0.00 C ATOM 228 C PHE A 19 3.135 -0.465 -9.967 1.00 0.00 C ATOM 229 O PHE A 19 2.454 -0.240 -8.966 1.00 0.00 O ATOM 230 CB PHE A 19 4.474 -2.569 -10.141 1.00 0.00 C ATOM 231 CG PHE A 19 4.400 -3.144 -8.755 1.00 0.00 C ATOM 232 CD1 PHE A 19 3.308 -3.901 -8.362 1.00 0.00 C ATOM 233 CD2 PHE A 19 5.422 -2.925 -7.846 1.00 0.00 C ATOM 234 CE1 PHE A 19 3.237 -4.431 -7.089 1.00 0.00 C ATOM 235 CE2 PHE A 19 5.356 -3.454 -6.571 1.00 0.00 C ATOM 236 CZ PHE A 19 4.263 -4.207 -6.191 1.00 0.00 C ATOM 0 H PHE A 19 3.896 -2.248 -12.516 1.00 0.00 H new ATOM 0 HA PHE A 19 2.331 -2.429 -10.225 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.696 -3.370 -10.846 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.303 -1.863 -10.189 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.503 -4.079 -9.060 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.279 -2.335 -8.137 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.381 -5.020 -6.796 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.160 -3.278 -5.871 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.210 -4.620 -5.194 1.00 0.00 H new ATOM 246 N ASP A 20 3.855 0.471 -10.577 1.00 0.00 N ATOM 247 CA ASP A 20 3.887 1.846 -10.094 1.00 0.00 C ATOM 248 C ASP A 20 2.479 2.425 -10.006 1.00 0.00 C ATOM 249 O ASP A 20 2.115 3.056 -9.013 1.00 0.00 O ATOM 250 CB ASP A 20 4.751 2.712 -11.014 1.00 0.00 C ATOM 251 CG ASP A 20 5.298 3.939 -10.309 1.00 0.00 C ATOM 252 OD1 ASP A 20 4.490 4.807 -9.919 1.00 0.00 O ATOM 253 OD2 ASP A 20 6.533 4.029 -10.149 1.00 0.00 O ATOM 0 H ASP A 20 4.424 0.302 -11.407 1.00 0.00 H new ATOM 0 HA ASP A 20 4.322 1.843 -9.095 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.580 2.116 -11.396 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.160 3.024 -11.875 1.00 0.00 H new ATOM 258 N LYS A 21 1.688 2.207 -11.051 1.00 0.00 N ATOM 259 CA LYS A 21 0.319 2.705 -11.094 1.00 0.00 C ATOM 260 C LYS A 21 -0.464 2.250 -9.867 1.00 0.00 C ATOM 261 O LYS A 21 -1.231 3.019 -9.285 1.00 0.00 O ATOM 262 CB LYS A 21 -0.381 2.226 -12.367 1.00 0.00 C ATOM 263 CG LYS A 21 0.352 2.600 -13.643 1.00 0.00 C ATOM 264 CD LYS A 21 0.068 4.036 -14.050 1.00 0.00 C ATOM 265 CE LYS A 21 1.233 4.639 -14.817 1.00 0.00 C ATOM 266 NZ LYS A 21 0.870 5.939 -15.447 1.00 0.00 N ATOM 0 H LYS A 21 1.973 1.687 -11.881 1.00 0.00 H new ATOM 0 HA LYS A 21 0.355 3.794 -11.096 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.490 1.142 -12.325 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.386 2.647 -12.399 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.424 2.467 -13.500 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.052 1.927 -14.446 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.831 4.070 -14.666 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.132 4.634 -13.161 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.075 4.786 -14.141 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.560 3.941 -15.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.691 6.317 -15.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.083 5.795 -16.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.582 6.614 -14.710 1.00 0.00 H new ATOM 280 N LEU A 22 -0.266 0.995 -9.477 1.00 0.00 N ATOM 281 CA LEU A 22 -0.953 0.436 -8.317 1.00 0.00 C ATOM 282 C LEU A 22 -0.510 1.133 -7.034 1.00 0.00 C ATOM 283 O LEU A 22 -1.319 1.746 -6.337 1.00 0.00 O ATOM 284 CB LEU A 22 -0.683 -1.065 -8.216 1.00 0.00 C ATOM 285 CG LEU A 22 -1.405 -1.802 -7.086 1.00 0.00 C ATOM 286 CD1 LEU A 22 -2.802 -2.214 -7.525 1.00 0.00 C ATOM 287 CD2 LEU A 22 -0.603 -3.017 -6.643 1.00 0.00 C ATOM 0 H LEU A 22 0.365 0.345 -9.947 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.023 0.598 -8.445 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.962 -1.529 -9.162 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.390 -1.214 -8.093 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.498 -1.124 -6.237 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.301 -2.737 -6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.376 -1.327 -7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.732 -2.874 -8.389 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.132 -3.529 -5.839 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.478 -3.697 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.376 -2.697 -6.287 1.00 0.00 H new ATOM 299 N LEU A 23 0.780 1.036 -6.730 1.00 0.00 N ATOM 300 CA LEU A 23 1.332 1.658 -5.532 1.00 0.00 C ATOM 301 C LEU A 23 0.933 3.128 -5.449 1.00 0.00 C ATOM 302 O LEU A 23 0.514 3.609 -4.396 1.00 0.00 O ATOM 303 CB LEU A 23 2.856 1.531 -5.523 1.00 0.00 C ATOM 304 CG LEU A 23 3.411 0.113 -5.663 1.00 0.00 C ATOM 305 CD1 LEU A 23 4.919 0.147 -5.854 1.00 0.00 C ATOM 306 CD2 LEU A 23 3.046 -0.726 -4.448 1.00 0.00 C ATOM 0 H LEU A 23 1.463 0.533 -7.297 1.00 0.00 H new ATOM 0 HA LEU A 23 0.925 1.140 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.256 2.138 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.231 1.956 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 23 2.963 -0.346 -6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.296 -0.871 -5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.159 0.711 -6.755 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.384 0.625 -4.992 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.449 -1.732 -4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.465 -0.270 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.961 -0.779 -4.355 1.00 0.00 H new ATOM 318 N SER A 24 1.065 3.836 -6.567 1.00 0.00 N ATOM 319 CA SER A 24 0.719 5.251 -6.620 1.00 0.00 C ATOM 320 C SER A 24 -0.653 5.500 -6.000 1.00 0.00 C ATOM 321 O SER A 24 -0.848 6.468 -5.264 1.00 0.00 O ATOM 322 CB SER A 24 0.734 5.748 -8.067 1.00 0.00 C ATOM 323 OG SER A 24 0.702 7.164 -8.121 1.00 0.00 O ATOM 0 H SER A 24 1.409 3.452 -7.447 1.00 0.00 H new ATOM 0 HA SER A 24 1.463 5.802 -6.046 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.628 5.382 -8.571 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.123 5.341 -8.603 1.00 0.00 H new ATOM 0 HG SER A 24 0.714 7.456 -9.056 1.00 0.00 H new ATOM 329 N HIS A 25 -1.601 4.619 -6.303 1.00 0.00 N ATOM 330 CA HIS A 25 -2.955 4.740 -5.775 1.00 0.00 C ATOM 331 C HIS A 25 -3.035 4.196 -4.353 1.00 0.00 C ATOM 332 O HIS A 25 -2.337 3.245 -4.001 1.00 0.00 O ATOM 333 CB HIS A 25 -3.944 3.998 -6.675 1.00 0.00 C ATOM 334 CG HIS A 25 -5.326 4.575 -6.650 1.00 0.00 C ATOM 335 ND1 HIS A 25 -6.375 3.988 -5.976 1.00 0.00 N ATOM 336 CD2 HIS A 25 -5.828 5.695 -7.222 1.00 0.00 C ATOM 337 CE1 HIS A 25 -7.463 4.720 -6.134 1.00 0.00 C ATOM 338 NE2 HIS A 25 -7.157 5.762 -6.887 1.00 0.00 N ATOM 0 H HIS A 25 -1.456 3.813 -6.912 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.217 5.798 -5.755 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -3.572 4.012 -7.699 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -3.990 2.953 -6.367 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -5.284 6.404 -7.829 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -8.436 4.504 -5.719 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -7.804 6.497 -7.173 1.00 0.00 H new ATOM 346 N ARG A 26 -3.891 4.806 -3.538 1.00 0.00 N ATOM 347 CA ARG A 26 -4.060 4.384 -2.153 1.00 0.00 C ATOM 348 C ARG A 26 -4.857 3.086 -2.074 1.00 0.00 C ATOM 349 O ARG A 26 -4.402 2.101 -1.493 1.00 0.00 O ATOM 350 CB ARG A 26 -4.763 5.477 -1.347 1.00 0.00 C ATOM 351 CG ARG A 26 -4.878 5.162 0.136 1.00 0.00 C ATOM 352 CD ARG A 26 -3.542 5.325 0.845 1.00 0.00 C ATOM 353 NE ARG A 26 -3.357 6.679 1.359 1.00 0.00 N ATOM 354 CZ ARG A 26 -2.765 7.651 0.674 1.00 0.00 C ATOM 355 NH1 ARG A 26 -2.305 7.420 -0.548 1.00 0.00 N ATOM 356 NH2 ARG A 26 -2.634 8.858 1.210 1.00 0.00 N ATOM 0 H ARG A 26 -4.478 5.594 -3.814 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.071 4.209 -1.729 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.219 6.414 -1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -5.762 5.632 -1.755 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.616 5.821 0.593 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.238 4.141 0.266 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.479 4.613 1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.733 5.086 0.154 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.701 6.890 2.296 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.405 6.494 -0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.851 8.168 -1.072 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.988 9.040 2.149 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.179 9.603 0.683 1.00 0.00 H new ATOM 370 N ASP A 27 -6.048 3.092 -2.663 1.00 0.00 N ATOM 371 CA ASP A 27 -6.909 1.915 -2.659 1.00 0.00 C ATOM 372 C ASP A 27 -6.145 0.682 -3.130 1.00 0.00 C ATOM 373 O ASP A 27 -6.123 -0.344 -2.451 1.00 0.00 O ATOM 374 CB ASP A 27 -8.128 2.147 -3.554 1.00 0.00 C ATOM 375 CG ASP A 27 -9.270 2.816 -2.813 1.00 0.00 C ATOM 376 OD1 ASP A 27 -9.086 3.961 -2.350 1.00 0.00 O ATOM 377 OD2 ASP A 27 -10.347 2.196 -2.699 1.00 0.00 O ATOM 0 H ASP A 27 -6.439 3.899 -3.149 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.245 1.744 -1.636 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.839 2.765 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.468 1.192 -3.955 1.00 0.00 H new ATOM 382 N GLY A 28 -5.519 0.789 -4.298 1.00 0.00 N ATOM 383 CA GLY A 28 -4.763 -0.325 -4.840 1.00 0.00 C ATOM 384 C GLY A 28 -3.751 -0.873 -3.854 1.00 0.00 C ATOM 385 O GLY A 28 -3.655 -2.085 -3.660 1.00 0.00 O ATOM 0 H GLY A 28 -5.522 1.628 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.450 -1.120 -5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.247 -0.004 -5.745 1.00 0.00 H new ATOM 389 N LEU A 29 -2.990 0.021 -3.232 1.00 0.00 N ATOM 390 CA LEU A 29 -1.977 -0.378 -2.262 1.00 0.00 C ATOM 391 C LEU A 29 -2.616 -1.058 -1.055 1.00 0.00 C ATOM 392 O LEU A 29 -2.253 -2.177 -0.698 1.00 0.00 O ATOM 393 CB LEU A 29 -1.169 0.838 -1.807 1.00 0.00 C ATOM 394 CG LEU A 29 -0.015 0.557 -0.844 1.00 0.00 C ATOM 395 CD1 LEU A 29 1.090 -0.216 -1.548 1.00 0.00 C ATOM 396 CD2 LEU A 29 0.525 1.855 -0.264 1.00 0.00 C ATOM 0 H LEU A 29 -3.056 1.028 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.308 -1.090 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.766 1.332 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.850 1.543 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.392 -0.053 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.903 -0.407 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.695 -1.164 -1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.465 0.369 -2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.346 1.635 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.886 2.492 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.269 2.370 0.277 1.00 0.00 H new ATOM 408 N GLU A 30 -3.572 -0.373 -0.435 1.00 0.00 N ATOM 409 CA GLU A 30 -4.263 -0.912 0.731 1.00 0.00 C ATOM 410 C GLU A 30 -4.739 -2.338 0.469 1.00 0.00 C ATOM 411 O GLU A 30 -4.348 -3.272 1.169 1.00 0.00 O ATOM 412 CB GLU A 30 -5.455 -0.026 1.100 1.00 0.00 C ATOM 413 CG GLU A 30 -5.056 1.357 1.588 1.00 0.00 C ATOM 414 CD GLU A 30 -6.053 1.939 2.572 1.00 0.00 C ATOM 415 OE1 GLU A 30 -7.211 1.470 2.589 1.00 0.00 O ATOM 416 OE2 GLU A 30 -5.677 2.862 3.324 1.00 0.00 O ATOM 0 H GLU A 30 -3.885 0.555 -0.720 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.559 -0.928 1.563 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.103 0.078 0.230 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.039 -0.521 1.875 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.075 1.303 2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.962 2.027 0.733 1.00 0.00 H new ATOM 423 N ALA A 31 -5.585 -2.498 -0.543 1.00 0.00 N ATOM 424 CA ALA A 31 -6.113 -3.810 -0.897 1.00 0.00 C ATOM 425 C ALA A 31 -4.986 -4.791 -1.202 1.00 0.00 C ATOM 426 O ALA A 31 -5.039 -5.955 -0.803 1.00 0.00 O ATOM 427 CB ALA A 31 -7.053 -3.696 -2.088 1.00 0.00 C ATOM 0 H ALA A 31 -5.920 -1.736 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.671 -4.193 -0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.440 -4.683 -2.342 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.882 -3.035 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.511 -3.288 -2.941 1.00 0.00 H new ATOM 433 N PHE A 32 -3.968 -4.314 -1.910 1.00 0.00 N ATOM 434 CA PHE A 32 -2.829 -5.151 -2.269 1.00 0.00 C ATOM 435 C PHE A 32 -2.221 -5.803 -1.032 1.00 0.00 C ATOM 436 O PHE A 32 -1.992 -7.013 -1.000 1.00 0.00 O ATOM 437 CB PHE A 32 -1.768 -4.320 -2.995 1.00 0.00 C ATOM 438 CG PHE A 32 -0.413 -4.967 -3.020 1.00 0.00 C ATOM 439 CD1 PHE A 32 -0.196 -6.125 -3.750 1.00 0.00 C ATOM 440 CD2 PHE A 32 0.644 -4.419 -2.311 1.00 0.00 C ATOM 441 CE1 PHE A 32 1.049 -6.723 -3.774 1.00 0.00 C ATOM 442 CE2 PHE A 32 1.892 -5.012 -2.332 1.00 0.00 C ATOM 443 CZ PHE A 32 2.095 -6.166 -3.064 1.00 0.00 C ATOM 0 H PHE A 32 -3.908 -3.353 -2.246 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.184 -5.938 -2.935 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.096 -4.142 -4.019 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.688 -3.346 -2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.010 -6.565 -4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.491 -3.518 -1.735 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.204 -7.625 -4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.708 -4.574 -1.777 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.069 -6.632 -3.081 1.00 0.00 H new ATOM 453 N THR A 33 -1.960 -4.992 -0.010 1.00 0.00 N ATOM 454 CA THR A 33 -1.377 -5.489 1.230 1.00 0.00 C ATOM 455 C THR A 33 -2.152 -6.689 1.760 1.00 0.00 C ATOM 456 O THR A 33 -1.571 -7.730 2.063 1.00 0.00 O ATOM 457 CB THR A 33 -1.344 -4.393 2.313 1.00 0.00 C ATOM 458 OG1 THR A 33 -0.569 -3.279 1.860 1.00 0.00 O ATOM 459 CG2 THR A 33 -0.759 -4.931 3.610 1.00 0.00 C ATOM 0 H THR A 33 -2.143 -3.989 -0.017 1.00 0.00 H new ATOM 0 HA THR A 33 -0.356 -5.793 1.000 1.00 0.00 H new ATOM 0 HB THR A 33 -2.368 -4.069 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.056 -2.808 1.152 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.746 -4.139 4.359 1.00 0.00 H new ATOM 0 HG22 THR A 33 -1.370 -5.760 3.968 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.258 -5.280 3.433 1.00 0.00 H new ATOM 467 N ARG A 34 -3.468 -6.537 1.869 1.00 0.00 N ATOM 468 CA ARG A 34 -4.324 -7.609 2.363 1.00 0.00 C ATOM 469 C ARG A 34 -3.914 -8.951 1.764 1.00 0.00 C ATOM 470 O ARG A 34 -3.528 -9.872 2.484 1.00 0.00 O ATOM 471 CB ARG A 34 -5.788 -7.317 2.032 1.00 0.00 C ATOM 472 CG ARG A 34 -6.470 -6.403 3.038 1.00 0.00 C ATOM 473 CD ARG A 34 -7.642 -5.664 2.414 1.00 0.00 C ATOM 474 NE ARG A 34 -8.828 -6.509 2.310 1.00 0.00 N ATOM 475 CZ ARG A 34 -9.935 -6.146 1.670 1.00 0.00 C ATOM 476 NH1 ARG A 34 -10.007 -4.961 1.081 1.00 0.00 N ATOM 477 NH2 ARG A 34 -10.973 -6.971 1.620 1.00 0.00 N ATOM 0 H ARG A 34 -3.965 -5.681 1.622 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.208 -7.662 3.445 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.844 -6.861 1.043 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.335 -8.259 1.980 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.820 -6.991 3.887 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.749 -5.683 3.424 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.876 -4.783 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.361 -5.310 1.422 1.00 0.00 H new ATOM 0 HE ARG A 34 -8.806 -7.428 2.752 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.211 -4.324 1.118 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.858 -4.686 0.591 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.921 -7.884 2.073 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.823 -6.693 1.129 1.00 0.00 H new ATOM 491 N PHE A 35 -4.000 -9.054 0.442 1.00 0.00 N ATOM 492 CA PHE A 35 -3.640 -10.284 -0.254 1.00 0.00 C ATOM 493 C PHE A 35 -2.396 -10.915 0.365 1.00 0.00 C ATOM 494 O PHE A 35 -2.335 -12.130 0.560 1.00 0.00 O ATOM 495 CB PHE A 35 -3.397 -10.002 -1.739 1.00 0.00 C ATOM 496 CG PHE A 35 -2.413 -10.942 -2.374 1.00 0.00 C ATOM 497 CD1 PHE A 35 -2.784 -12.235 -2.706 1.00 0.00 C ATOM 498 CD2 PHE A 35 -1.116 -10.533 -2.639 1.00 0.00 C ATOM 499 CE1 PHE A 35 -1.881 -13.102 -3.291 1.00 0.00 C ATOM 500 CE2 PHE A 35 -0.209 -11.395 -3.225 1.00 0.00 C ATOM 501 CZ PHE A 35 -0.591 -12.682 -3.550 1.00 0.00 C ATOM 0 H PHE A 35 -4.316 -8.301 -0.169 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.469 -10.984 -0.155 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.345 -10.066 -2.273 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.036 -8.980 -1.852 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.791 -12.569 -2.505 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.810 -9.529 -2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.184 -14.107 -3.545 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.798 -11.063 -3.429 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.117 -13.358 -4.006 1.00 0.00 H new ATOM 511 N LEU A 36 -1.408 -10.082 0.671 1.00 0.00 N ATOM 512 CA LEU A 36 -0.164 -10.558 1.268 1.00 0.00 C ATOM 513 C LEU A 36 -0.379 -10.965 2.722 1.00 0.00 C ATOM 514 O LEU A 36 0.020 -12.053 3.139 1.00 0.00 O ATOM 515 CB LEU A 36 0.911 -9.474 1.184 1.00 0.00 C ATOM 516 CG LEU A 36 1.234 -8.956 -0.218 1.00 0.00 C ATOM 517 CD1 LEU A 36 2.098 -7.708 -0.140 1.00 0.00 C ATOM 518 CD2 LEU A 36 1.925 -10.035 -1.040 1.00 0.00 C ATOM 0 H LEU A 36 -1.443 -9.074 0.516 1.00 0.00 H new ATOM 0 HA LEU A 36 0.167 -11.434 0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.596 -8.630 1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.828 -9.865 1.625 1.00 0.00 H new ATOM 0 HG LEU A 36 0.298 -8.695 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.318 -7.354 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.566 -6.931 0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.030 -7.943 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.147 -9.648 -2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.853 -10.328 -0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.270 -10.902 -1.126 1.00 0.00 H new ATOM 530 N LYS A 37 -1.015 -10.087 3.490 1.00 0.00 N ATOM 531 CA LYS A 37 -1.288 -10.355 4.896 1.00 0.00 C ATOM 532 C LYS A 37 -1.781 -11.784 5.093 1.00 0.00 C ATOM 533 O LYS A 37 -1.319 -12.495 5.986 1.00 0.00 O ATOM 534 CB LYS A 37 -2.326 -9.367 5.433 1.00 0.00 C ATOM 535 CG LYS A 37 -1.864 -7.921 5.402 1.00 0.00 C ATOM 536 CD LYS A 37 -2.573 -7.087 6.457 1.00 0.00 C ATOM 537 CE LYS A 37 -1.691 -5.951 6.954 1.00 0.00 C ATOM 538 NZ LYS A 37 -2.496 -4.794 7.435 1.00 0.00 N ATOM 0 H LYS A 37 -1.351 -9.182 3.161 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.357 -10.232 5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.240 -9.460 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.576 -9.638 6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.787 -7.878 5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.053 -7.499 4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.494 -6.679 6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.856 -7.723 7.296 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.055 -6.312 7.762 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -1.031 -5.625 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.859 -4.041 7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.084 -4.433 6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.108 -5.099 8.219 1.00 0.00 H new ATOM 552 N THR A 38 -2.721 -12.202 4.251 1.00 0.00 N ATOM 553 CA THR A 38 -3.276 -13.547 4.331 1.00 0.00 C ATOM 554 C THR A 38 -2.190 -14.602 4.153 1.00 0.00 C ATOM 555 O THR A 38 -2.199 -15.634 4.822 1.00 0.00 O ATOM 556 CB THR A 38 -4.370 -13.769 3.269 1.00 0.00 C ATOM 557 OG1 THR A 38 -3.806 -13.668 1.956 1.00 0.00 O ATOM 558 CG2 THR A 38 -5.490 -12.750 3.425 1.00 0.00 C ATOM 0 H THR A 38 -3.114 -11.628 3.505 1.00 0.00 H new ATOM 0 HA THR A 38 -3.717 -13.647 5.323 1.00 0.00 H new ATOM 0 HB THR A 38 -4.785 -14.767 3.410 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.320 -12.821 1.873 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.251 -12.926 2.665 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.936 -12.849 4.415 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.086 -11.744 3.308 1.00 0.00 H new ATOM 566 N GLU A 39 -1.255 -14.335 3.247 1.00 0.00 N ATOM 567 CA GLU A 39 -0.162 -15.262 2.981 1.00 0.00 C ATOM 568 C GLU A 39 1.084 -14.877 3.775 1.00 0.00 C ATOM 569 O GLU A 39 2.186 -15.342 3.484 1.00 0.00 O ATOM 570 CB GLU A 39 0.161 -15.291 1.486 1.00 0.00 C ATOM 571 CG GLU A 39 -1.071 -15.376 0.599 1.00 0.00 C ATOM 572 CD GLU A 39 -0.820 -16.167 -0.671 1.00 0.00 C ATOM 573 OE1 GLU A 39 -0.204 -17.249 -0.584 1.00 0.00 O ATOM 574 OE2 GLU A 39 -1.242 -15.703 -1.751 1.00 0.00 O ATOM 0 H GLU A 39 -1.233 -13.484 2.685 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.479 -16.256 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.724 -14.394 1.227 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.807 -16.144 1.279 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.885 -15.839 1.157 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.397 -14.369 0.338 1.00 0.00 H new ATOM 581 N PHE A 40 0.899 -14.024 4.776 1.00 0.00 N ATOM 582 CA PHE A 40 2.007 -13.574 5.611 1.00 0.00 C ATOM 583 C PHE A 40 3.152 -13.042 4.754 1.00 0.00 C ATOM 584 O PHE A 40 4.323 -13.192 5.102 1.00 0.00 O ATOM 585 CB PHE A 40 2.505 -14.720 6.494 1.00 0.00 C ATOM 586 CG PHE A 40 1.452 -15.271 7.412 1.00 0.00 C ATOM 587 CD1 PHE A 40 0.625 -16.303 6.998 1.00 0.00 C ATOM 588 CD2 PHE A 40 1.289 -14.758 8.689 1.00 0.00 C ATOM 589 CE1 PHE A 40 -0.346 -16.811 7.840 1.00 0.00 C ATOM 590 CE2 PHE A 40 0.321 -15.264 9.536 1.00 0.00 C ATOM 591 CZ PHE A 40 -0.497 -16.292 9.111 1.00 0.00 C ATOM 0 H PHE A 40 -0.007 -13.630 5.029 1.00 0.00 H new ATOM 0 HA PHE A 40 1.646 -12.765 6.246 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.877 -15.523 5.858 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.348 -14.369 7.090 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.741 -16.715 6.006 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.926 -13.954 9.026 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.986 -17.613 7.504 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.205 -14.856 10.529 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.254 -16.690 9.771 1.00 0.00 H new ATOM 601 N SER A 41 2.805 -12.421 3.632 1.00 0.00 N ATOM 602 CA SER A 41 3.802 -11.871 2.722 1.00 0.00 C ATOM 603 C SER A 41 3.876 -10.352 2.852 1.00 0.00 C ATOM 604 O SER A 41 4.794 -9.718 2.332 1.00 0.00 O ATOM 605 CB SER A 41 3.474 -12.254 1.278 1.00 0.00 C ATOM 606 OG SER A 41 4.097 -13.475 0.921 1.00 0.00 O ATOM 0 H SER A 41 1.840 -12.286 3.331 1.00 0.00 H new ATOM 0 HA SER A 41 4.772 -12.290 2.990 1.00 0.00 H new ATOM 0 HB2 SER A 41 2.394 -12.344 1.159 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.804 -11.463 0.605 1.00 0.00 H new ATOM 0 HG SER A 41 3.871 -13.699 -0.006 1.00 0.00 H new ATOM 612 N GLU A 42 2.903 -9.776 3.550 1.00 0.00 N ATOM 613 CA GLU A 42 2.858 -8.332 3.748 1.00 0.00 C ATOM 614 C GLU A 42 4.244 -7.783 4.070 1.00 0.00 C ATOM 615 O GLU A 42 4.672 -6.777 3.503 1.00 0.00 O ATOM 616 CB GLU A 42 1.883 -7.979 4.874 1.00 0.00 C ATOM 617 CG GLU A 42 2.102 -8.786 6.143 1.00 0.00 C ATOM 618 CD GLU A 42 3.065 -8.114 7.103 1.00 0.00 C ATOM 619 OE1 GLU A 42 3.028 -6.871 7.208 1.00 0.00 O ATOM 620 OE2 GLU A 42 3.855 -8.833 7.750 1.00 0.00 O ATOM 0 H GLU A 42 2.136 -10.286 3.988 1.00 0.00 H new ATOM 0 HA GLU A 42 2.512 -7.875 2.821 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.978 -6.918 5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.863 -8.138 4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.145 -8.939 6.642 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.485 -9.772 5.880 1.00 0.00 H new ATOM 627 N GLU A 43 4.941 -8.450 4.985 1.00 0.00 N ATOM 628 CA GLU A 43 6.279 -8.028 5.383 1.00 0.00 C ATOM 629 C GLU A 43 7.036 -7.432 4.200 1.00 0.00 C ATOM 630 O GLU A 43 7.858 -6.531 4.367 1.00 0.00 O ATOM 631 CB GLU A 43 7.060 -9.210 5.960 1.00 0.00 C ATOM 632 CG GLU A 43 7.495 -10.221 4.913 1.00 0.00 C ATOM 633 CD GLU A 43 7.597 -11.630 5.467 1.00 0.00 C ATOM 634 OE1 GLU A 43 6.825 -11.961 6.391 1.00 0.00 O ATOM 635 OE2 GLU A 43 8.449 -12.399 4.976 1.00 0.00 O ATOM 0 H GLU A 43 4.602 -9.284 5.464 1.00 0.00 H new ATOM 0 HA GLU A 43 6.177 -7.260 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.942 -8.834 6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.443 -9.713 6.705 1.00 0.00 H new ATOM 0 HG2 GLU A 43 6.785 -10.210 4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.462 -9.924 4.506 1.00 0.00 H new ATOM 642 N ASN A 44 6.753 -7.943 3.007 1.00 0.00 N ATOM 643 CA ASN A 44 7.409 -7.463 1.795 1.00 0.00 C ATOM 644 C ASN A 44 7.037 -6.010 1.516 1.00 0.00 C ATOM 645 O ASN A 44 7.904 -5.139 1.445 1.00 0.00 O ATOM 646 CB ASN A 44 7.024 -8.339 0.602 1.00 0.00 C ATOM 647 CG ASN A 44 7.515 -9.766 0.750 1.00 0.00 C ATOM 648 OD1 ASN A 44 7.875 -10.199 1.845 1.00 0.00 O ATOM 649 ND2 ASN A 44 7.529 -10.504 -0.353 1.00 0.00 N ATOM 0 H ASN A 44 6.075 -8.689 2.853 1.00 0.00 H new ATOM 0 HA ASN A 44 8.487 -7.521 1.946 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.940 -8.340 0.491 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.437 -7.908 -0.310 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.847 -11.472 -0.315 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.221 -10.103 -1.239 1.00 0.00 H new ATOM 656 N ILE A 45 5.742 -5.757 1.357 1.00 0.00 N ATOM 657 CA ILE A 45 5.255 -4.410 1.087 1.00 0.00 C ATOM 658 C ILE A 45 5.538 -3.477 2.259 1.00 0.00 C ATOM 659 O ILE A 45 5.826 -2.296 2.069 1.00 0.00 O ATOM 660 CB ILE A 45 3.743 -4.405 0.794 1.00 0.00 C ATOM 661 CG1 ILE A 45 3.279 -2.998 0.413 1.00 0.00 C ATOM 662 CG2 ILE A 45 2.969 -4.915 2.002 1.00 0.00 C ATOM 663 CD1 ILE A 45 3.892 -2.488 -0.871 1.00 0.00 C ATOM 0 H ILE A 45 5.012 -6.467 1.411 1.00 0.00 H new ATOM 0 HA ILE A 45 5.788 -4.054 0.206 1.00 0.00 H new ATOM 0 HB ILE A 45 3.548 -5.071 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.194 -2.996 0.314 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.526 -2.311 1.222 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.902 -4.906 1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.283 -5.933 2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.167 -4.272 2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.518 -1.485 -1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.977 -2.457 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.623 -3.153 -1.692 1.00 0.00 H new ATOM 675 N GLU A 46 5.455 -4.017 3.471 1.00 0.00 N ATOM 676 CA GLU A 46 5.703 -3.232 4.675 1.00 0.00 C ATOM 677 C GLU A 46 7.039 -2.500 4.581 1.00 0.00 C ATOM 678 O GLU A 46 7.131 -1.312 4.890 1.00 0.00 O ATOM 679 CB GLU A 46 5.689 -4.135 5.911 1.00 0.00 C ATOM 680 CG GLU A 46 4.307 -4.323 6.511 1.00 0.00 C ATOM 681 CD GLU A 46 4.345 -4.525 8.012 1.00 0.00 C ATOM 682 OE1 GLU A 46 5.450 -4.733 8.555 1.00 0.00 O ATOM 683 OE2 GLU A 46 3.269 -4.475 8.646 1.00 0.00 O ATOM 0 H GLU A 46 5.218 -4.994 3.645 1.00 0.00 H new ATOM 0 HA GLU A 46 4.908 -2.492 4.766 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.095 -5.110 5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.350 -3.712 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.694 -3.452 6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.827 -5.183 6.045 1.00 0.00 H new ATOM 690 N PHE A 47 8.072 -3.219 4.153 1.00 0.00 N ATOM 691 CA PHE A 47 9.403 -2.639 4.020 1.00 0.00 C ATOM 692 C PHE A 47 9.422 -1.561 2.941 1.00 0.00 C ATOM 693 O PHE A 47 10.034 -0.507 3.111 1.00 0.00 O ATOM 694 CB PHE A 47 10.425 -3.728 3.688 1.00 0.00 C ATOM 695 CG PHE A 47 11.812 -3.198 3.453 1.00 0.00 C ATOM 696 CD1 PHE A 47 12.641 -2.893 4.521 1.00 0.00 C ATOM 697 CD2 PHE A 47 12.286 -3.005 2.166 1.00 0.00 C ATOM 698 CE1 PHE A 47 13.916 -2.404 4.308 1.00 0.00 C ATOM 699 CE2 PHE A 47 13.560 -2.517 1.947 1.00 0.00 C ATOM 700 CZ PHE A 47 14.376 -2.217 3.020 1.00 0.00 C ATOM 0 H PHE A 47 8.013 -4.203 3.893 1.00 0.00 H new ATOM 0 HA PHE A 47 9.669 -2.179 4.972 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.454 -4.449 4.505 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.095 -4.266 2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.287 -3.039 5.531 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.652 -3.239 1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.552 -2.168 5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.917 -2.370 0.938 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.373 -1.837 2.852 1.00 0.00 H new ATOM 710 N TRP A 48 8.748 -1.835 1.830 1.00 0.00 N ATOM 711 CA TRP A 48 8.687 -0.889 0.721 1.00 0.00 C ATOM 712 C TRP A 48 8.228 0.484 1.201 1.00 0.00 C ATOM 713 O TRP A 48 8.822 1.505 0.849 1.00 0.00 O ATOM 714 CB TRP A 48 7.742 -1.405 -0.365 1.00 0.00 C ATOM 715 CG TRP A 48 7.669 -0.508 -1.564 1.00 0.00 C ATOM 716 CD1 TRP A 48 8.380 -0.629 -2.723 1.00 0.00 C ATOM 717 CD2 TRP A 48 6.839 0.649 -1.720 1.00 0.00 C ATOM 718 NE1 TRP A 48 8.042 0.382 -3.590 1.00 0.00 N ATOM 719 CE2 TRP A 48 7.098 1.179 -2.999 1.00 0.00 C ATOM 720 CE3 TRP A 48 5.901 1.286 -0.904 1.00 0.00 C ATOM 721 CZ2 TRP A 48 6.454 2.316 -3.478 1.00 0.00 C ATOM 722 CZ3 TRP A 48 5.262 2.416 -1.381 1.00 0.00 C ATOM 723 CH2 TRP A 48 5.540 2.920 -2.658 1.00 0.00 C ATOM 0 H TRP A 48 8.236 -2.703 1.673 1.00 0.00 H new ATOM 0 HA TRP A 48 9.689 -0.791 0.304 1.00 0.00 H new ATOM 0 HB2 TRP A 48 8.069 -2.396 -0.681 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.743 -1.518 0.056 1.00 0.00 H new ATOM 0 HD1 TRP A 48 9.102 -1.405 -2.928 1.00 0.00 H new ATOM 0 HE1 TRP A 48 8.431 0.517 -4.523 1.00 0.00 H new ATOM 0 HE3 TRP A 48 5.679 0.903 0.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 6.668 2.708 -4.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 4.536 2.918 -0.758 1.00 0.00 H new ATOM 0 HH2 TRP A 48 5.023 3.803 -3.002 1.00 0.00 H new ATOM 734 N ILE A 49 7.171 0.502 2.005 1.00 0.00 N ATOM 735 CA ILE A 49 6.636 1.750 2.533 1.00 0.00 C ATOM 736 C ILE A 49 7.623 2.412 3.489 1.00 0.00 C ATOM 737 O ILE A 49 7.978 3.578 3.321 1.00 0.00 O ATOM 738 CB ILE A 49 5.301 1.524 3.268 1.00 0.00 C ATOM 739 CG1 ILE A 49 4.270 0.907 2.320 1.00 0.00 C ATOM 740 CG2 ILE A 49 4.784 2.834 3.842 1.00 0.00 C ATOM 741 CD1 ILE A 49 3.120 0.231 3.035 1.00 0.00 C ATOM 0 H ILE A 49 6.668 -0.333 2.305 1.00 0.00 H new ATOM 0 HA ILE A 49 6.466 2.406 1.679 1.00 0.00 H new ATOM 0 HB ILE A 49 5.470 0.831 4.092 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.875 1.687 1.669 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.767 0.179 1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.840 2.658 4.358 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.513 3.236 4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.628 3.549 3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.429 -0.183 2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.504 -0.571 3.665 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.598 0.960 3.654 1.00 0.00 H new ATOM 753 N ALA A 50 8.063 1.658 4.490 1.00 0.00 N ATOM 754 CA ALA A 50 9.013 2.170 5.471 1.00 0.00 C ATOM 755 C ALA A 50 10.150 2.925 4.792 1.00 0.00 C ATOM 756 O ALA A 50 10.775 3.798 5.394 1.00 0.00 O ATOM 757 CB ALA A 50 9.564 1.030 6.316 1.00 0.00 C ATOM 0 H ALA A 50 7.777 0.691 4.644 1.00 0.00 H new ATOM 0 HA ALA A 50 8.486 2.868 6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.272 1.426 7.044 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.745 0.535 6.838 1.00 0.00 H new ATOM 0 HB3 ALA A 50 10.070 0.311 5.672 1.00 0.00 H new ATOM 763 N CYS A 51 10.413 2.584 3.535 1.00 0.00 N ATOM 764 CA CYS A 51 11.477 3.230 2.773 1.00 0.00 C ATOM 765 C CYS A 51 11.028 4.594 2.261 1.00 0.00 C ATOM 766 O CYS A 51 11.514 5.629 2.716 1.00 0.00 O ATOM 767 CB CYS A 51 11.902 2.346 1.600 1.00 0.00 C ATOM 768 SG CYS A 51 12.636 0.769 2.093 1.00 0.00 S ATOM 0 H CYS A 51 9.904 1.864 3.022 1.00 0.00 H new ATOM 0 HA CYS A 51 12.329 3.374 3.437 1.00 0.00 H new ATOM 0 HB2 CYS A 51 11.032 2.150 0.973 1.00 0.00 H new ATOM 0 HB3 CYS A 51 12.619 2.893 0.988 1.00 0.00 H new ATOM 0 HG CYS A 51 11.714 -0.004 2.585 1.00 0.00 H new ATOM 774 N GLU A 52 10.097 4.587 1.311 1.00 0.00 N ATOM 775 CA GLU A 52 9.584 5.825 0.735 1.00 0.00 C ATOM 776 C GLU A 52 9.286 6.849 1.827 1.00 0.00 C ATOM 777 O GLU A 52 9.286 8.054 1.577 1.00 0.00 O ATOM 778 CB GLU A 52 8.320 5.548 -0.081 1.00 0.00 C ATOM 779 CG GLU A 52 7.070 5.389 0.769 1.00 0.00 C ATOM 780 CD GLU A 52 6.508 6.719 1.234 1.00 0.00 C ATOM 781 OE1 GLU A 52 6.831 7.751 0.608 1.00 0.00 O ATOM 782 OE2 GLU A 52 5.746 6.728 2.223 1.00 0.00 O ATOM 0 H GLU A 52 9.683 3.739 0.925 1.00 0.00 H new ATOM 0 HA GLU A 52 10.349 6.235 0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.168 6.364 -0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.468 4.642 -0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.310 4.858 0.195 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.302 4.773 1.638 1.00 0.00 H new ATOM 789 N ASP A 53 9.030 6.360 3.035 1.00 0.00 N ATOM 790 CA ASP A 53 8.730 7.232 4.165 1.00 0.00 C ATOM 791 C ASP A 53 9.988 7.522 4.977 1.00 0.00 C ATOM 792 O ASP A 53 10.109 8.578 5.597 1.00 0.00 O ATOM 793 CB ASP A 53 7.666 6.594 5.059 1.00 0.00 C ATOM 794 CG ASP A 53 7.087 7.576 6.060 1.00 0.00 C ATOM 795 OD1 ASP A 53 7.867 8.356 6.644 1.00 0.00 O ATOM 796 OD2 ASP A 53 5.854 7.562 6.259 1.00 0.00 O ATOM 0 H ASP A 53 9.024 5.365 3.257 1.00 0.00 H new ATOM 0 HA ASP A 53 8.347 8.175 3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.863 6.197 4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.102 5.750 5.593 1.00 0.00 H new ATOM 801 N PHE A 54 10.922 6.576 4.970 1.00 0.00 N ATOM 802 CA PHE A 54 12.171 6.729 5.707 1.00 0.00 C ATOM 803 C PHE A 54 12.976 7.912 5.175 1.00 0.00 C ATOM 804 O PHE A 54 13.628 8.626 5.936 1.00 0.00 O ATOM 805 CB PHE A 54 13.003 5.448 5.615 1.00 0.00 C ATOM 806 CG PHE A 54 14.484 5.691 5.659 1.00 0.00 C ATOM 807 CD1 PHE A 54 15.163 6.122 4.530 1.00 0.00 C ATOM 808 CD2 PHE A 54 15.198 5.489 6.829 1.00 0.00 C ATOM 809 CE1 PHE A 54 16.526 6.346 4.567 1.00 0.00 C ATOM 810 CE2 PHE A 54 16.562 5.711 6.873 1.00 0.00 C ATOM 811 CZ PHE A 54 17.226 6.141 5.740 1.00 0.00 C ATOM 0 H PHE A 54 10.837 5.696 4.462 1.00 0.00 H new ATOM 0 HA PHE A 54 11.926 6.920 6.752 1.00 0.00 H new ATOM 0 HB2 PHE A 54 12.727 4.785 6.435 1.00 0.00 H new ATOM 0 HB3 PHE A 54 12.755 4.929 4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 54 14.620 6.285 3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 54 14.683 5.154 7.717 1.00 0.00 H new ATOM 0 HE1 PHE A 54 17.043 6.681 3.680 1.00 0.00 H new ATOM 0 HE2 PHE A 54 17.107 5.549 7.791 1.00 0.00 H new ATOM 0 HZ PHE A 54 18.291 6.317 5.772 1.00 0.00 H new ATOM 821 N LYS A 55 12.926 8.111 3.863 1.00 0.00 N ATOM 822 CA LYS A 55 13.648 9.205 3.226 1.00 0.00 C ATOM 823 C LYS A 55 12.948 10.537 3.475 1.00 0.00 C ATOM 824 O LYS A 55 13.598 11.565 3.669 1.00 0.00 O ATOM 825 CB LYS A 55 13.771 8.956 1.721 1.00 0.00 C ATOM 826 CG LYS A 55 12.434 8.769 1.025 1.00 0.00 C ATOM 827 CD LYS A 55 12.615 8.379 -0.433 1.00 0.00 C ATOM 828 CE LYS A 55 13.097 6.944 -0.572 1.00 0.00 C ATOM 829 NZ LYS A 55 13.375 6.586 -1.989 1.00 0.00 N ATOM 0 H LYS A 55 12.392 7.528 3.219 1.00 0.00 H new ATOM 0 HA LYS A 55 14.645 9.251 3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 55 14.295 9.795 1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.384 8.070 1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.859 7.999 1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.858 9.692 1.087 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.670 8.499 -0.962 1.00 0.00 H new ATOM 0 HD3 LYS A 55 13.332 9.052 -0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.001 6.806 0.021 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.344 6.267 -0.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.268 5.559 -2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.705 7.083 -2.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.346 6.866 -2.234 1.00 0.00 H new ATOM 843 N LYS A 56 11.620 10.512 3.472 1.00 0.00 N ATOM 844 CA LYS A 56 10.830 11.716 3.700 1.00 0.00 C ATOM 845 C LYS A 56 11.482 12.600 4.759 1.00 0.00 C ATOM 846 O LYS A 56 11.458 13.827 4.656 1.00 0.00 O ATOM 847 CB LYS A 56 9.410 11.346 4.135 1.00 0.00 C ATOM 848 CG LYS A 56 8.533 10.859 2.994 1.00 0.00 C ATOM 849 CD LYS A 56 7.189 10.360 3.498 1.00 0.00 C ATOM 850 CE LYS A 56 6.240 11.512 3.787 1.00 0.00 C ATOM 851 NZ LYS A 56 5.915 12.285 2.556 1.00 0.00 N ATOM 0 H LYS A 56 11.067 9.670 3.314 1.00 0.00 H new ATOM 0 HA LYS A 56 10.783 12.272 2.764 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.463 10.570 4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.942 12.215 4.597 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.378 11.669 2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.042 10.058 2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.744 9.698 2.755 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.335 9.771 4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.321 11.124 4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.689 12.176 4.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.048 12.837 2.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.700 12.929 2.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.770 11.629 1.762 1.00 0.00 H new ATOM 865 N SER A 57 12.065 11.970 5.774 1.00 0.00 N ATOM 866 CA SER A 57 12.721 12.700 6.852 1.00 0.00 C ATOM 867 C SER A 57 13.726 13.704 6.295 1.00 0.00 C ATOM 868 O SER A 57 14.238 13.539 5.187 1.00 0.00 O ATOM 869 CB SER A 57 13.425 11.729 7.800 1.00 0.00 C ATOM 870 OG SER A 57 14.297 12.416 8.681 1.00 0.00 O ATOM 0 H SER A 57 12.096 10.955 5.872 1.00 0.00 H new ATOM 0 HA SER A 57 11.957 13.246 7.405 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.683 11.176 8.376 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.990 10.997 7.222 1.00 0.00 H new ATOM 0 HG SER A 57 13.777 13.024 9.247 1.00 0.00 H new ATOM 876 N LYS A 58 14.006 14.746 7.072 1.00 0.00 N ATOM 877 CA LYS A 58 14.951 15.777 6.659 1.00 0.00 C ATOM 878 C LYS A 58 16.225 15.712 7.495 1.00 0.00 C ATOM 879 O LYS A 58 17.324 15.931 6.987 1.00 0.00 O ATOM 880 CB LYS A 58 14.314 17.162 6.788 1.00 0.00 C ATOM 881 CG LYS A 58 14.857 18.176 5.795 1.00 0.00 C ATOM 882 CD LYS A 58 16.099 18.869 6.331 1.00 0.00 C ATOM 883 CE LYS A 58 15.740 20.100 7.151 1.00 0.00 C ATOM 884 NZ LYS A 58 16.830 20.476 8.093 1.00 0.00 N ATOM 0 H LYS A 58 13.591 14.898 7.991 1.00 0.00 H new ATOM 0 HA LYS A 58 15.212 15.600 5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.237 17.072 6.650 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.475 17.534 7.800 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.094 17.676 4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.090 18.919 5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.668 18.173 6.947 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.743 19.159 5.500 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.535 20.935 6.481 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.825 19.909 7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.547 21.319 8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 17.009 19.689 8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 17.696 20.684 7.556 1.00 0.00 H new ATOM 898 N GLY A 59 16.070 15.409 8.780 1.00 0.00 N ATOM 899 CA GLY A 59 17.217 15.319 9.664 1.00 0.00 C ATOM 900 C GLY A 59 17.707 13.896 9.838 1.00 0.00 C ATOM 901 O GLY A 59 17.015 12.933 9.503 1.00 0.00 O ATOM 0 H GLY A 59 15.171 15.224 9.224 1.00 0.00 H new ATOM 0 HA2 GLY A 59 18.026 15.932 9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.954 15.731 10.638 1.00 0.00 H new ATOM 905 N PRO A 60 18.927 13.746 10.374 1.00 0.00 N ATOM 906 CA PRO A 60 19.536 12.432 10.602 1.00 0.00 C ATOM 907 C PRO A 60 18.844 11.659 11.720 1.00 0.00 C ATOM 908 O PRO A 60 18.602 10.459 11.598 1.00 0.00 O ATOM 909 CB PRO A 60 20.975 12.772 10.998 1.00 0.00 C ATOM 910 CG PRO A 60 20.898 14.149 11.560 1.00 0.00 C ATOM 911 CD PRO A 60 19.807 14.848 10.797 1.00 0.00 C ATOM 0 HA PRO A 60 19.461 11.790 9.724 1.00 0.00 H new ATOM 0 HB2 PRO A 60 21.361 12.066 11.733 1.00 0.00 H new ATOM 0 HB3 PRO A 60 21.642 12.733 10.137 1.00 0.00 H new ATOM 0 HG2 PRO A 60 20.673 14.123 12.626 1.00 0.00 H new ATOM 0 HG3 PRO A 60 21.849 14.670 11.447 1.00 0.00 H new ATOM 0 HD2 PRO A 60 19.278 15.568 11.421 1.00 0.00 H new ATOM 0 HD3 PRO A 60 20.202 15.397 9.943 1.00 0.00 H new ATOM 919 N GLN A 61 18.530 12.355 12.807 1.00 0.00 N ATOM 920 CA GLN A 61 17.866 11.732 13.946 1.00 0.00 C ATOM 921 C GLN A 61 16.819 10.725 13.483 1.00 0.00 C ATOM 922 O GLN A 61 16.988 9.518 13.656 1.00 0.00 O ATOM 923 CB GLN A 61 17.210 12.799 14.826 1.00 0.00 C ATOM 924 CG GLN A 61 16.931 12.329 16.245 1.00 0.00 C ATOM 925 CD GLN A 61 18.196 11.987 17.005 1.00 0.00 C ATOM 926 OE1 GLN A 61 19.121 12.797 17.091 1.00 0.00 O ATOM 927 NE2 GLN A 61 18.245 10.783 17.564 1.00 0.00 N ATOM 0 H GLN A 61 18.724 13.350 12.923 1.00 0.00 H new ATOM 0 HA GLN A 61 18.620 11.202 14.528 1.00 0.00 H new ATOM 0 HB2 GLN A 61 17.857 13.676 14.863 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.273 13.113 14.365 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.389 13.107 16.782 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.283 11.453 16.213 1.00 0.00 H new ATOM 0 HE21 GLN A 61 17.456 10.144 17.468 1.00 0.00 H new ATOM 0 HE22 GLN A 61 19.071 10.498 18.089 1.00 0.00 H new ATOM 936 N GLN A 62 15.740 11.228 12.893 1.00 0.00 N ATOM 937 CA GLN A 62 14.666 10.371 12.406 1.00 0.00 C ATOM 938 C GLN A 62 15.222 9.223 11.570 1.00 0.00 C ATOM 939 O GLN A 62 14.818 8.071 11.731 1.00 0.00 O ATOM 940 CB GLN A 62 13.671 11.185 11.578 1.00 0.00 C ATOM 941 CG GLN A 62 12.492 10.371 11.069 1.00 0.00 C ATOM 942 CD GLN A 62 11.428 10.160 12.129 1.00 0.00 C ATOM 943 OE1 GLN A 62 11.728 9.319 13.112 1.00 0.00 O flip ATOM 944 NE2 GLN A 62 10.347 10.748 12.065 1.00 0.00 N flip ATOM 0 H GLN A 62 15.586 12.225 12.741 1.00 0.00 H new ATOM 0 HA GLN A 62 14.151 9.951 13.270 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.297 12.011 12.184 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.193 11.624 10.728 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.049 10.877 10.211 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.848 9.402 10.719 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.158 11.386 11.292 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.641 10.597 12.785 1.00 0.00 H new ATOM 953 N ILE A 63 16.153 9.545 10.676 1.00 0.00 N ATOM 954 CA ILE A 63 16.765 8.541 9.816 1.00 0.00 C ATOM 955 C ILE A 63 17.359 7.402 10.637 1.00 0.00 C ATOM 956 O ILE A 63 17.202 6.229 10.296 1.00 0.00 O ATOM 957 CB ILE A 63 17.869 9.153 8.934 1.00 0.00 C ATOM 958 CG1 ILE A 63 17.278 10.209 7.998 1.00 0.00 C ATOM 959 CG2 ILE A 63 18.574 8.066 8.136 1.00 0.00 C ATOM 960 CD1 ILE A 63 18.322 11.048 7.296 1.00 0.00 C ATOM 0 H ILE A 63 16.499 10.493 10.530 1.00 0.00 H new ATOM 0 HA ILE A 63 15.974 8.150 9.176 1.00 0.00 H new ATOM 0 HB ILE A 63 18.602 9.636 9.580 1.00 0.00 H new ATOM 0 HG12 ILE A 63 16.659 9.714 7.250 1.00 0.00 H new ATOM 0 HG13 ILE A 63 16.622 10.865 8.571 1.00 0.00 H new ATOM 0 HG21 ILE A 63 19.351 8.515 7.518 1.00 0.00 H new ATOM 0 HG22 ILE A 63 19.024 7.347 8.820 1.00 0.00 H new ATOM 0 HG23 ILE A 63 17.852 7.557 7.498 1.00 0.00 H new ATOM 0 HD11 ILE A 63 17.830 11.775 6.649 1.00 0.00 H new ATOM 0 HD12 ILE A 63 18.926 11.572 8.037 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.963 10.403 6.695 1.00 0.00 H new ATOM 972 N HIS A 64 18.040 7.755 11.722 1.00 0.00 N ATOM 973 CA HIS A 64 18.656 6.761 12.595 1.00 0.00 C ATOM 974 C HIS A 64 17.597 5.868 13.234 1.00 0.00 C ATOM 975 O HIS A 64 17.707 4.641 13.209 1.00 0.00 O ATOM 976 CB HIS A 64 19.484 7.449 13.681 1.00 0.00 C ATOM 977 CG HIS A 64 20.734 8.093 13.164 1.00 0.00 C ATOM 978 ND1 HIS A 64 21.034 9.395 12.951 1.00 0.00 N flip ATOM 979 CD2 HIS A 64 21.854 7.377 12.799 1.00 0.00 C flip ATOM 980 CE1 HIS A 64 22.319 9.441 12.466 1.00 0.00 C flip ATOM 981 NE2 HIS A 64 22.791 8.211 12.385 1.00 0.00 N flip ATOM 0 H HIS A 64 18.180 8.721 12.018 1.00 0.00 H new ATOM 0 HA HIS A 64 19.313 6.137 11.988 1.00 0.00 H new ATOM 0 HB2 HIS A 64 18.870 8.206 14.169 1.00 0.00 H new ATOM 0 HB3 HIS A 64 19.751 6.716 14.442 1.00 0.00 H new ATOM 0 HD2 HIS A 64 21.950 6.302 12.844 1.00 0.00 H new ATOM 0 HE1 HIS A 64 22.856 10.338 12.195 1.00 0.00 H new ATOM 0 HE2 HIS A 64 23.721 7.949 12.058 1.00 0.00 H new ATOM 989 N LEU A 65 16.573 6.491 13.806 1.00 0.00 N ATOM 990 CA LEU A 65 15.494 5.752 14.453 1.00 0.00 C ATOM 991 C LEU A 65 14.881 4.733 13.498 1.00 0.00 C ATOM 992 O LEU A 65 14.912 3.529 13.754 1.00 0.00 O ATOM 993 CB LEU A 65 14.414 6.718 14.948 1.00 0.00 C ATOM 994 CG LEU A 65 14.913 7.981 15.649 1.00 0.00 C ATOM 995 CD1 LEU A 65 13.743 8.861 16.060 1.00 0.00 C ATOM 996 CD2 LEU A 65 15.762 7.619 16.858 1.00 0.00 C ATOM 0 H LEU A 65 16.467 7.505 13.835 1.00 0.00 H new ATOM 0 HA LEU A 65 15.914 5.217 15.305 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.804 7.017 14.096 1.00 0.00 H new ATOM 0 HB3 LEU A 65 13.761 6.180 15.635 1.00 0.00 H new ATOM 0 HG LEU A 65 15.533 8.541 14.949 1.00 0.00 H new ATOM 0 HD11 LEU A 65 14.118 9.755 16.558 1.00 0.00 H new ATOM 0 HD12 LEU A 65 13.176 9.149 15.175 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.096 8.310 16.743 1.00 0.00 H new ATOM 0 HD21 LEU A 65 16.109 8.530 17.345 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.165 7.037 17.560 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.621 7.030 16.536 1.00 0.00 H new ATOM 1008 N LYS A 66 14.327 5.223 12.394 1.00 0.00 N ATOM 1009 CA LYS A 66 13.712 4.356 11.397 1.00 0.00 C ATOM 1010 C LYS A 66 14.691 3.285 10.927 1.00 0.00 C ATOM 1011 O LYS A 66 14.408 2.090 11.014 1.00 0.00 O ATOM 1012 CB LYS A 66 13.230 5.181 10.201 1.00 0.00 C ATOM 1013 CG LYS A 66 11.906 5.885 10.442 1.00 0.00 C ATOM 1014 CD LYS A 66 11.554 6.820 9.296 1.00 0.00 C ATOM 1015 CE LYS A 66 10.543 7.871 9.725 1.00 0.00 C ATOM 1016 NZ LYS A 66 10.082 8.699 8.576 1.00 0.00 N ATOM 0 H LYS A 66 14.292 6.217 12.167 1.00 0.00 H new ATOM 0 HA LYS A 66 12.857 3.863 11.860 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.988 5.925 9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.132 4.527 9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.116 5.144 10.564 1.00 0.00 H new ATOM 0 HG3 LYS A 66 11.958 6.451 11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.458 7.310 8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.149 6.242 8.465 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.685 7.382 10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.989 8.516 10.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.836 9.652 8.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.842 8.766 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.245 8.258 8.144 1.00 0.00 H new ATOM 1030 N ALA A 67 15.844 3.721 10.430 1.00 0.00 N ATOM 1031 CA ALA A 67 16.866 2.799 9.950 1.00 0.00 C ATOM 1032 C ALA A 67 17.061 1.641 10.923 1.00 0.00 C ATOM 1033 O ALA A 67 16.958 0.474 10.543 1.00 0.00 O ATOM 1034 CB ALA A 67 18.180 3.535 9.733 1.00 0.00 C ATOM 0 H ALA A 67 16.094 4.707 10.349 1.00 0.00 H new ATOM 0 HA ALA A 67 16.531 2.387 8.998 1.00 0.00 H new ATOM 0 HB1 ALA A 67 18.934 2.835 9.375 1.00 0.00 H new ATOM 0 HB2 ALA A 67 18.037 4.324 8.995 1.00 0.00 H new ATOM 0 HB3 ALA A 67 18.511 3.974 10.674 1.00 0.00 H new ATOM 1040 N LYS A 68 17.344 1.970 12.178 1.00 0.00 N ATOM 1041 CA LYS A 68 17.553 0.959 13.207 1.00 0.00 C ATOM 1042 C LYS A 68 16.365 0.004 13.281 1.00 0.00 C ATOM 1043 O LYS A 68 16.521 -1.208 13.141 1.00 0.00 O ATOM 1044 CB LYS A 68 17.774 1.622 14.568 1.00 0.00 C ATOM 1045 CG LYS A 68 18.383 0.695 15.605 1.00 0.00 C ATOM 1046 CD LYS A 68 18.733 1.441 16.882 1.00 0.00 C ATOM 1047 CE LYS A 68 19.029 0.481 18.025 1.00 0.00 C ATOM 1048 NZ LYS A 68 19.318 1.202 19.295 1.00 0.00 N ATOM 0 H LYS A 68 17.434 2.931 12.508 1.00 0.00 H new ATOM 0 HA LYS A 68 18.442 0.386 12.942 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.425 2.487 14.440 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.820 1.993 14.941 1.00 0.00 H new ATOM 0 HG2 LYS A 68 17.683 -0.109 15.832 1.00 0.00 H new ATOM 0 HG3 LYS A 68 19.280 0.230 15.197 1.00 0.00 H new ATOM 0 HD2 LYS A 68 19.600 2.078 16.707 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.907 2.096 17.160 1.00 0.00 H new ATOM 0 HE2 LYS A 68 18.177 -0.184 18.171 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.881 -0.146 17.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.514 0.513 20.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 20.146 1.817 19.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 18.496 1.780 19.561 1.00 0.00 H new ATOM 1062 N ALA A 69 15.179 0.561 13.501 1.00 0.00 N ATOM 1063 CA ALA A 69 13.964 -0.240 13.590 1.00 0.00 C ATOM 1064 C ALA A 69 13.792 -1.117 12.353 1.00 0.00 C ATOM 1065 O ALA A 69 13.845 -2.344 12.440 1.00 0.00 O ATOM 1066 CB ALA A 69 12.751 0.660 13.773 1.00 0.00 C ATOM 0 H ALA A 69 15.033 1.563 13.621 1.00 0.00 H new ATOM 0 HA ALA A 69 14.052 -0.894 14.458 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.851 0.049 13.838 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.863 1.240 14.689 1.00 0.00 H new ATOM 0 HB3 ALA A 69 12.669 1.337 12.923 1.00 0.00 H new ATOM 1072 N ILE A 70 13.586 -0.479 11.206 1.00 0.00 N ATOM 1073 CA ILE A 70 13.408 -1.202 9.952 1.00 0.00 C ATOM 1074 C ILE A 70 14.501 -2.247 9.760 1.00 0.00 C ATOM 1075 O ILE A 70 14.231 -3.372 9.340 1.00 0.00 O ATOM 1076 CB ILE A 70 13.410 -0.245 8.746 1.00 0.00 C ATOM 1077 CG1 ILE A 70 12.281 0.780 8.878 1.00 0.00 C ATOM 1078 CG2 ILE A 70 13.272 -1.029 7.449 1.00 0.00 C ATOM 1079 CD1 ILE A 70 12.563 2.084 8.164 1.00 0.00 C ATOM 0 H ILE A 70 13.538 0.536 11.119 1.00 0.00 H new ATOM 0 HA ILE A 70 12.440 -1.699 10.009 1.00 0.00 H new ATOM 0 HB ILE A 70 14.360 0.290 8.726 1.00 0.00 H new ATOM 0 HG12 ILE A 70 11.362 0.349 8.481 1.00 0.00 H new ATOM 0 HG13 ILE A 70 12.108 0.984 9.935 1.00 0.00 H new ATOM 0 HG21 ILE A 70 13.275 -0.339 6.605 1.00 0.00 H new ATOM 0 HG22 ILE A 70 14.107 -1.723 7.353 1.00 0.00 H new ATOM 0 HG23 ILE A 70 12.335 -1.587 7.459 1.00 0.00 H new ATOM 0 HD11 ILE A 70 11.721 2.763 8.300 1.00 0.00 H new ATOM 0 HD12 ILE A 70 13.464 2.537 8.576 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.707 1.893 7.101 1.00 0.00 H new ATOM 1091 N TYR A 71 15.735 -1.869 10.073 1.00 0.00 N ATOM 1092 CA TYR A 71 16.870 -2.774 9.934 1.00 0.00 C ATOM 1093 C TYR A 71 16.618 -4.082 10.680 1.00 0.00 C ATOM 1094 O TYR A 71 16.493 -5.143 10.069 1.00 0.00 O ATOM 1095 CB TYR A 71 18.144 -2.111 10.459 1.00 0.00 C ATOM 1096 CG TYR A 71 19.155 -3.093 11.009 1.00 0.00 C ATOM 1097 CD1 TYR A 71 19.728 -4.060 10.192 1.00 0.00 C ATOM 1098 CD2 TYR A 71 19.538 -3.052 12.343 1.00 0.00 C ATOM 1099 CE1 TYR A 71 20.652 -4.959 10.689 1.00 0.00 C ATOM 1100 CE2 TYR A 71 20.462 -3.947 12.849 1.00 0.00 C ATOM 1101 CZ TYR A 71 21.016 -4.898 12.018 1.00 0.00 C ATOM 1102 OH TYR A 71 21.936 -5.792 12.516 1.00 0.00 O ATOM 0 H TYR A 71 15.975 -0.942 10.425 1.00 0.00 H new ATOM 0 HA TYR A 71 16.996 -2.999 8.875 1.00 0.00 H new ATOM 0 HB2 TYR A 71 18.605 -1.540 9.653 1.00 0.00 H new ATOM 0 HB3 TYR A 71 17.878 -1.400 11.241 1.00 0.00 H new ATOM 0 HD1 TYR A 71 19.446 -4.110 9.151 1.00 0.00 H new ATOM 0 HD2 TYR A 71 19.107 -2.308 12.996 1.00 0.00 H new ATOM 0 HE1 TYR A 71 21.087 -5.705 10.041 1.00 0.00 H new ATOM 0 HE2 TYR A 71 20.748 -3.902 13.889 1.00 0.00 H new ATOM 0 HH TYR A 71 22.083 -5.614 13.468 1.00 0.00 H new ATOM 1112 N GLU A 72 16.546 -3.996 12.004 1.00 0.00 N ATOM 1113 CA GLU A 72 16.309 -5.171 12.834 1.00 0.00 C ATOM 1114 C GLU A 72 14.935 -5.770 12.551 1.00 0.00 C ATOM 1115 O GLU A 72 14.575 -6.815 13.093 1.00 0.00 O ATOM 1116 CB GLU A 72 16.424 -4.809 14.316 1.00 0.00 C ATOM 1117 CG GLU A 72 17.833 -4.432 14.743 1.00 0.00 C ATOM 1118 CD GLU A 72 18.058 -4.610 16.232 1.00 0.00 C ATOM 1119 OE1 GLU A 72 17.806 -3.650 16.990 1.00 0.00 O ATOM 1120 OE2 GLU A 72 18.487 -5.711 16.639 1.00 0.00 O ATOM 0 H GLU A 72 16.648 -3.125 12.525 1.00 0.00 H new ATOM 0 HA GLU A 72 17.068 -5.914 12.589 1.00 0.00 H new ATOM 0 HB2 GLU A 72 15.753 -3.977 14.531 1.00 0.00 H new ATOM 0 HB3 GLU A 72 16.086 -5.654 14.915 1.00 0.00 H new ATOM 0 HG2 GLU A 72 18.550 -5.043 14.195 1.00 0.00 H new ATOM 0 HG3 GLU A 72 18.026 -3.394 14.472 1.00 0.00 H new ATOM 1127 N LYS A 73 14.168 -5.099 11.697 1.00 0.00 N ATOM 1128 CA LYS A 73 12.833 -5.563 11.339 1.00 0.00 C ATOM 1129 C LYS A 73 12.887 -6.509 10.144 1.00 0.00 C ATOM 1130 O LYS A 73 12.647 -7.710 10.279 1.00 0.00 O ATOM 1131 CB LYS A 73 11.926 -4.372 11.019 1.00 0.00 C ATOM 1132 CG LYS A 73 10.452 -4.648 11.262 1.00 0.00 C ATOM 1133 CD LYS A 73 9.715 -3.392 11.696 1.00 0.00 C ATOM 1134 CE LYS A 73 8.246 -3.677 11.973 1.00 0.00 C ATOM 1135 NZ LYS A 73 7.412 -2.448 11.859 1.00 0.00 N ATOM 0 H LYS A 73 14.449 -4.231 11.240 1.00 0.00 H new ATOM 0 HA LYS A 73 12.424 -6.106 12.191 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.232 -3.519 11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 73 12.067 -4.088 9.976 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.999 -5.041 10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.346 -5.416 12.028 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.183 -2.985 12.592 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.799 -2.632 10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.883 -4.429 11.272 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.140 -4.097 12.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.418 -2.684 12.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.742 -1.740 12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 7.493 -2.061 10.897 1.00 0.00 H new ATOM 1149 N PHE A 74 13.207 -5.963 8.976 1.00 0.00 N ATOM 1150 CA PHE A 74 13.294 -6.759 7.758 1.00 0.00 C ATOM 1151 C PHE A 74 14.740 -7.140 7.459 1.00 0.00 C ATOM 1152 O PHE A 74 15.091 -8.320 7.433 1.00 0.00 O ATOM 1153 CB PHE A 74 12.702 -5.988 6.576 1.00 0.00 C ATOM 1154 CG PHE A 74 11.496 -5.170 6.937 1.00 0.00 C ATOM 1155 CD1 PHE A 74 11.633 -3.970 7.614 1.00 0.00 C ATOM 1156 CD2 PHE A 74 10.223 -5.602 6.599 1.00 0.00 C ATOM 1157 CE1 PHE A 74 10.525 -3.214 7.948 1.00 0.00 C ATOM 1158 CE2 PHE A 74 9.111 -4.851 6.929 1.00 0.00 C ATOM 1159 CZ PHE A 74 9.262 -3.656 7.605 1.00 0.00 C ATOM 0 H PHE A 74 13.410 -4.972 8.847 1.00 0.00 H new ATOM 0 HA PHE A 74 12.721 -7.673 7.910 1.00 0.00 H new ATOM 0 HB2 PHE A 74 13.466 -5.330 6.162 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.430 -6.694 5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.618 -3.620 7.885 1.00 0.00 H new ATOM 0 HD2 PHE A 74 10.099 -6.536 6.072 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.647 -2.280 8.476 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.125 -5.198 6.659 1.00 0.00 H new ATOM 0 HZ PHE A 74 8.394 -3.068 7.865 1.00 0.00 H new ATOM 1169 N ILE A 75 15.576 -6.132 7.234 1.00 0.00 N ATOM 1170 CA ILE A 75 16.986 -6.361 6.936 1.00 0.00 C ATOM 1171 C ILE A 75 17.515 -7.576 7.691 1.00 0.00 C ATOM 1172 O ILE A 75 17.845 -8.596 7.088 1.00 0.00 O ATOM 1173 CB ILE A 75 17.843 -5.133 7.296 1.00 0.00 C ATOM 1174 CG1 ILE A 75 17.289 -3.880 6.613 1.00 0.00 C ATOM 1175 CG2 ILE A 75 19.292 -5.364 6.897 1.00 0.00 C ATOM 1176 CD1 ILE A 75 17.282 -3.969 5.103 1.00 0.00 C ATOM 0 H ILE A 75 15.303 -5.150 7.252 1.00 0.00 H new ATOM 0 HA ILE A 75 17.058 -6.542 5.864 1.00 0.00 H new ATOM 0 HB ILE A 75 17.803 -4.983 8.375 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.272 -3.704 6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 75 17.884 -3.018 6.915 1.00 0.00 H new ATOM 0 HG21 ILE A 75 19.885 -4.488 7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 75 19.680 -6.235 7.425 1.00 0.00 H new ATOM 0 HG23 ILE A 75 19.351 -5.535 5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.877 -3.047 4.686 1.00 0.00 H new ATOM 0 HD12 ILE A 75 18.300 -4.114 4.742 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.664 -4.811 4.791 1.00 0.00 H new ATOM 1188 N GLN A 76 17.593 -7.457 9.012 1.00 0.00 N ATOM 1189 CA GLN A 76 18.083 -8.546 9.849 1.00 0.00 C ATOM 1190 C GLN A 76 17.320 -9.837 9.565 1.00 0.00 C ATOM 1191 O GLN A 76 16.104 -9.822 9.367 1.00 0.00 O ATOM 1192 CB GLN A 76 17.953 -8.180 11.329 1.00 0.00 C ATOM 1193 CG GLN A 76 16.610 -8.555 11.933 1.00 0.00 C ATOM 1194 CD GLN A 76 16.581 -8.386 13.439 1.00 0.00 C ATOM 1195 OE1 GLN A 76 17.302 -7.558 13.997 1.00 0.00 O ATOM 1196 NE2 GLN A 76 15.743 -9.170 14.107 1.00 0.00 N ATOM 0 H GLN A 76 17.323 -6.618 9.526 1.00 0.00 H new ATOM 0 HA GLN A 76 19.135 -8.706 9.612 1.00 0.00 H new ATOM 0 HB2 GLN A 76 18.745 -8.677 11.889 1.00 0.00 H new ATOM 0 HB3 GLN A 76 18.107 -7.107 11.444 1.00 0.00 H new ATOM 0 HG2 GLN A 76 15.830 -7.938 11.487 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.380 -9.591 11.683 1.00 0.00 H new ATOM 0 HE21 GLN A 76 15.164 -9.843 13.605 1.00 0.00 H new ATOM 0 HE22 GLN A 76 15.679 -9.100 15.123 1.00 0.00 H new ATOM 1205 N THR A 77 18.041 -10.953 9.544 1.00 0.00 N ATOM 1206 CA THR A 77 17.433 -12.251 9.282 1.00 0.00 C ATOM 1207 C THR A 77 16.727 -12.787 10.522 1.00 0.00 C ATOM 1208 O THR A 77 16.840 -12.219 11.607 1.00 0.00 O ATOM 1209 CB THR A 77 18.482 -13.279 8.817 1.00 0.00 C ATOM 1210 OG1 THR A 77 19.448 -12.645 7.970 1.00 0.00 O ATOM 1211 CG2 THR A 77 17.820 -14.427 8.069 1.00 0.00 C ATOM 0 H THR A 77 19.048 -10.984 9.705 1.00 0.00 H new ATOM 0 HA THR A 77 16.703 -12.104 8.487 1.00 0.00 H new ATOM 0 HB THR A 77 18.981 -13.680 9.699 1.00 0.00 H new ATOM 0 HG1 THR A 77 20.112 -13.305 7.680 1.00 0.00 H new ATOM 0 HG21 THR A 77 18.580 -15.140 7.750 1.00 0.00 H new ATOM 0 HG22 THR A 77 17.107 -14.926 8.725 1.00 0.00 H new ATOM 0 HG23 THR A 77 17.298 -14.038 7.195 1.00 0.00 H new ATOM 1219 N ASP A 78 15.999 -13.885 10.353 1.00 0.00 N ATOM 1220 CA ASP A 78 15.274 -14.500 11.460 1.00 0.00 C ATOM 1221 C ASP A 78 14.418 -13.469 12.188 1.00 0.00 C ATOM 1222 O ASP A 78 14.209 -13.564 13.397 1.00 0.00 O ATOM 1223 CB ASP A 78 16.253 -15.152 12.438 1.00 0.00 C ATOM 1224 CG ASP A 78 16.969 -16.343 11.833 1.00 0.00 C ATOM 1225 OD1 ASP A 78 17.499 -16.208 10.710 1.00 0.00 O ATOM 1226 OD2 ASP A 78 17.001 -17.409 12.483 1.00 0.00 O ATOM 0 H ASP A 78 15.895 -14.368 9.461 1.00 0.00 H new ATOM 0 HA ASP A 78 14.616 -15.267 11.051 1.00 0.00 H new ATOM 0 HB2 ASP A 78 16.988 -14.414 12.758 1.00 0.00 H new ATOM 0 HB3 ASP A 78 15.713 -15.471 13.330 1.00 0.00 H new ATOM 1231 N ALA A 79 13.925 -12.485 11.443 1.00 0.00 N ATOM 1232 CA ALA A 79 13.090 -11.438 12.018 1.00 0.00 C ATOM 1233 C ALA A 79 11.623 -11.646 11.660 1.00 0.00 C ATOM 1234 O ALA A 79 11.272 -12.498 10.843 1.00 0.00 O ATOM 1235 CB ALA A 79 13.561 -10.069 11.546 1.00 0.00 C ATOM 0 H ALA A 79 14.089 -12.391 10.441 1.00 0.00 H new ATOM 0 HA ALA A 79 13.183 -11.489 13.103 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.929 -9.296 11.983 1.00 0.00 H new ATOM 0 HB2 ALA A 79 14.594 -9.912 11.858 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.498 -10.017 10.459 1.00 0.00 H new ATOM 1241 N PRO A 80 10.741 -10.851 12.286 1.00 0.00 N ATOM 1242 CA PRO A 80 9.297 -10.930 12.048 1.00 0.00 C ATOM 1243 C PRO A 80 8.909 -10.433 10.660 1.00 0.00 C ATOM 1244 O PRO A 80 7.946 -10.915 10.063 1.00 0.00 O ATOM 1245 CB PRO A 80 8.710 -10.017 13.128 1.00 0.00 C ATOM 1246 CG PRO A 80 9.801 -9.052 13.443 1.00 0.00 C ATOM 1247 CD PRO A 80 11.087 -9.813 13.272 1.00 0.00 C ATOM 0 HA PRO A 80 8.932 -11.956 12.093 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.818 -9.503 12.770 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.417 -10.586 14.011 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.765 -8.191 12.776 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.704 -8.672 14.460 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.890 -9.169 12.913 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.424 -10.249 14.213 1.00 0.00 H new ATOM 1255 N LYS A 81 9.663 -9.465 10.151 1.00 0.00 N ATOM 1256 CA LYS A 81 9.400 -8.903 8.832 1.00 0.00 C ATOM 1257 C LYS A 81 10.579 -9.141 7.893 1.00 0.00 C ATOM 1258 O LYS A 81 10.692 -8.501 6.850 1.00 0.00 O ATOM 1259 CB LYS A 81 9.118 -7.403 8.941 1.00 0.00 C ATOM 1260 CG LYS A 81 7.980 -7.066 9.889 1.00 0.00 C ATOM 1261 CD LYS A 81 6.645 -7.557 9.355 1.00 0.00 C ATOM 1262 CE LYS A 81 5.676 -7.876 10.484 1.00 0.00 C ATOM 1263 NZ LYS A 81 5.142 -6.640 11.122 1.00 0.00 N ATOM 0 H LYS A 81 10.462 -9.053 10.633 1.00 0.00 H new ATOM 0 HA LYS A 81 8.523 -9.403 8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.022 -6.895 9.277 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.883 -7.013 7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.171 -7.517 10.863 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.938 -5.987 10.040 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.210 -6.798 8.705 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.801 -8.447 8.746 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.849 -8.471 10.096 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.181 -8.484 11.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 4.166 -6.807 11.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.734 -6.388 11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.153 -5.861 10.433 1.00 0.00 H new ATOM 1277 N GLU A 82 11.454 -10.068 8.274 1.00 0.00 N ATOM 1278 CA GLU A 82 12.624 -10.390 7.465 1.00 0.00 C ATOM 1279 C GLU A 82 12.222 -10.696 6.025 1.00 0.00 C ATOM 1280 O GLU A 82 11.531 -11.679 5.757 1.00 0.00 O ATOM 1281 CB GLU A 82 13.371 -11.584 8.062 1.00 0.00 C ATOM 1282 CG GLU A 82 12.527 -12.844 8.157 1.00 0.00 C ATOM 1283 CD GLU A 82 12.607 -13.696 6.905 1.00 0.00 C ATOM 1284 OE1 GLU A 82 13.628 -13.609 6.191 1.00 0.00 O ATOM 1285 OE2 GLU A 82 11.648 -14.450 6.640 1.00 0.00 O ATOM 0 H GLU A 82 11.375 -10.608 9.136 1.00 0.00 H new ATOM 0 HA GLU A 82 13.283 -9.522 7.463 1.00 0.00 H new ATOM 0 HB2 GLU A 82 14.252 -11.792 7.454 1.00 0.00 H new ATOM 0 HB3 GLU A 82 13.726 -11.319 9.058 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.855 -13.433 9.014 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.488 -12.568 8.338 1.00 0.00 H new ATOM 1292 N VAL A 83 12.659 -9.846 5.101 1.00 0.00 N ATOM 1293 CA VAL A 83 12.347 -10.025 3.688 1.00 0.00 C ATOM 1294 C VAL A 83 13.523 -10.641 2.939 1.00 0.00 C ATOM 1295 O VAL A 83 14.617 -10.777 3.484 1.00 0.00 O ATOM 1296 CB VAL A 83 11.973 -8.687 3.023 1.00 0.00 C ATOM 1297 CG1 VAL A 83 10.744 -8.085 3.688 1.00 0.00 C ATOM 1298 CG2 VAL A 83 13.146 -7.720 3.075 1.00 0.00 C ATOM 0 H VAL A 83 13.230 -9.026 5.306 1.00 0.00 H new ATOM 0 HA VAL A 83 11.493 -10.700 3.635 1.00 0.00 H new ATOM 0 HB VAL A 83 11.734 -8.876 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.495 -7.140 3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 83 9.905 -8.774 3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 83 10.951 -7.909 4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 83 12.864 -6.780 2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.419 -7.535 4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 83 13.997 -8.151 2.548 1.00 0.00 H new ATOM 1308 N ASN A 84 13.289 -11.013 1.684 1.00 0.00 N ATOM 1309 CA ASN A 84 14.329 -11.615 0.858 1.00 0.00 C ATOM 1310 C ASN A 84 15.369 -10.576 0.449 1.00 0.00 C ATOM 1311 O ASN A 84 15.123 -9.746 -0.427 1.00 0.00 O ATOM 1312 CB ASN A 84 13.713 -12.255 -0.388 1.00 0.00 C ATOM 1313 CG ASN A 84 12.888 -13.484 -0.059 1.00 0.00 C ATOM 1314 OD1 ASN A 84 13.411 -14.596 0.012 1.00 0.00 O ATOM 1315 ND2 ASN A 84 11.590 -13.288 0.143 1.00 0.00 N ATOM 0 H ASN A 84 12.388 -10.908 1.217 1.00 0.00 H new ATOM 0 HA ASN A 84 14.825 -12.386 1.447 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.084 -11.524 -0.895 1.00 0.00 H new ATOM 0 HB3 ASN A 84 14.507 -12.529 -1.083 1.00 0.00 H new ATOM 0 HD21 ASN A 84 10.984 -14.077 0.367 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.199 -12.348 0.074 1.00 0.00 H new ATOM 1322 N LEU A 85 16.532 -10.628 1.090 1.00 0.00 N ATOM 1323 CA LEU A 85 17.611 -9.692 0.793 1.00 0.00 C ATOM 1324 C LEU A 85 18.953 -10.413 0.722 1.00 0.00 C ATOM 1325 O LEU A 85 19.217 -11.332 1.498 1.00 0.00 O ATOM 1326 CB LEU A 85 17.665 -8.592 1.854 1.00 0.00 C ATOM 1327 CG LEU A 85 16.540 -7.557 1.807 1.00 0.00 C ATOM 1328 CD1 LEU A 85 16.653 -6.592 2.977 1.00 0.00 C ATOM 1329 CD2 LEU A 85 16.566 -6.802 0.487 1.00 0.00 C ATOM 0 H LEU A 85 16.752 -11.308 1.818 1.00 0.00 H new ATOM 0 HA LEU A 85 17.410 -9.241 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 85 17.657 -9.063 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 85 18.617 -8.069 1.758 1.00 0.00 H new ATOM 0 HG LEU A 85 15.587 -8.080 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.844 -5.863 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 85 16.585 -7.146 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 85 17.611 -6.075 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.759 -6.070 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 85 17.522 -6.290 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 85 16.435 -7.504 -0.336 1.00 0.00 H new ATOM 1341 N ASP A 86 19.798 -9.990 -0.212 1.00 0.00 N ATOM 1342 CA ASP A 86 21.114 -10.592 -0.382 1.00 0.00 C ATOM 1343 C ASP A 86 22.013 -10.281 0.811 1.00 0.00 C ATOM 1344 O ASP A 86 21.993 -9.171 1.344 1.00 0.00 O ATOM 1345 CB ASP A 86 21.765 -10.091 -1.672 1.00 0.00 C ATOM 1346 CG ASP A 86 21.590 -8.599 -1.866 1.00 0.00 C ATOM 1347 OD1 ASP A 86 20.429 -8.139 -1.921 1.00 0.00 O ATOM 1348 OD2 ASP A 86 22.612 -7.888 -1.964 1.00 0.00 O ATOM 0 H ASP A 86 19.594 -9.232 -0.863 1.00 0.00 H new ATOM 0 HA ASP A 86 20.986 -11.673 -0.445 1.00 0.00 H new ATOM 0 HB2 ASP A 86 22.828 -10.330 -1.656 1.00 0.00 H new ATOM 0 HB3 ASP A 86 21.333 -10.618 -2.522 1.00 0.00 H new ATOM 1353 N PHE A 87 22.800 -11.268 1.226 1.00 0.00 N ATOM 1354 CA PHE A 87 23.704 -11.101 2.357 1.00 0.00 C ATOM 1355 C PHE A 87 24.429 -9.760 2.280 1.00 0.00 C ATOM 1356 O PHE A 87 24.518 -9.031 3.270 1.00 0.00 O ATOM 1357 CB PHE A 87 24.723 -12.242 2.397 1.00 0.00 C ATOM 1358 CG PHE A 87 25.929 -11.940 3.239 1.00 0.00 C ATOM 1359 CD1 PHE A 87 25.807 -11.751 4.605 1.00 0.00 C ATOM 1360 CD2 PHE A 87 27.186 -11.845 2.664 1.00 0.00 C ATOM 1361 CE1 PHE A 87 26.915 -11.472 5.383 1.00 0.00 C ATOM 1362 CE2 PHE A 87 28.299 -11.567 3.435 1.00 0.00 C ATOM 1363 CZ PHE A 87 28.163 -11.381 4.797 1.00 0.00 C ATOM 0 H PHE A 87 22.830 -12.192 0.795 1.00 0.00 H new ATOM 0 HA PHE A 87 23.110 -11.122 3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 87 24.237 -13.139 2.781 1.00 0.00 H new ATOM 0 HB3 PHE A 87 25.046 -12.465 1.380 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.834 -11.822 5.069 1.00 0.00 H new ATOM 0 HD2 PHE A 87 27.298 -11.990 1.600 1.00 0.00 H new ATOM 0 HE1 PHE A 87 26.805 -11.325 6.447 1.00 0.00 H new ATOM 0 HE2 PHE A 87 29.273 -11.495 2.974 1.00 0.00 H new ATOM 0 HZ PHE A 87 29.031 -11.165 5.403 1.00 0.00 H new ATOM 1373 N HIS A 88 24.946 -9.441 1.098 1.00 0.00 N ATOM 1374 CA HIS A 88 25.663 -8.187 0.891 1.00 0.00 C ATOM 1375 C HIS A 88 24.849 -7.003 1.405 1.00 0.00 C ATOM 1376 O HIS A 88 25.234 -6.346 2.372 1.00 0.00 O ATOM 1377 CB HIS A 88 25.981 -7.996 -0.593 1.00 0.00 C ATOM 1378 CG HIS A 88 27.144 -7.087 -0.844 1.00 0.00 C ATOM 1379 ND1 HIS A 88 27.317 -6.395 -2.024 1.00 0.00 N ATOM 1380 CD2 HIS A 88 28.196 -6.758 -0.058 1.00 0.00 C ATOM 1381 CE1 HIS A 88 28.426 -5.680 -1.953 1.00 0.00 C ATOM 1382 NE2 HIS A 88 28.978 -5.882 -0.771 1.00 0.00 N ATOM 0 H HIS A 88 24.882 -10.032 0.269 1.00 0.00 H new ATOM 0 HA HIS A 88 26.596 -8.234 1.452 1.00 0.00 H new ATOM 0 HB2 HIS A 88 26.187 -8.968 -1.040 1.00 0.00 H new ATOM 0 HB3 HIS A 88 25.101 -7.594 -1.096 1.00 0.00 H new ATOM 0 HD2 HIS A 88 28.385 -7.117 0.943 1.00 0.00 H new ATOM 0 HE1 HIS A 88 28.815 -5.039 -2.730 1.00 0.00 H new ATOM 0 HE2 HIS A 88 29.844 -5.457 -0.441 1.00 0.00 H new ATOM 1390 N THR A 89 23.723 -6.738 0.751 1.00 0.00 N ATOM 1391 CA THR A 89 22.855 -5.633 1.141 1.00 0.00 C ATOM 1392 C THR A 89 22.689 -5.572 2.655 1.00 0.00 C ATOM 1393 O THR A 89 22.812 -4.508 3.262 1.00 0.00 O ATOM 1394 CB THR A 89 21.466 -5.753 0.487 1.00 0.00 C ATOM 1395 OG1 THR A 89 21.581 -5.632 -0.934 1.00 0.00 O ATOM 1396 CG2 THR A 89 20.525 -4.681 1.018 1.00 0.00 C ATOM 0 H THR A 89 23.390 -7.273 -0.051 1.00 0.00 H new ATOM 0 HA THR A 89 23.334 -4.717 0.794 1.00 0.00 H new ATOM 0 HB THR A 89 21.055 -6.732 0.735 1.00 0.00 H new ATOM 0 HG1 THR A 89 22.252 -6.266 -1.263 1.00 0.00 H new ATOM 0 HG21 THR A 89 19.550 -4.785 0.542 1.00 0.00 H new ATOM 0 HG22 THR A 89 20.416 -4.794 2.097 1.00 0.00 H new ATOM 0 HG23 THR A 89 20.934 -3.695 0.796 1.00 0.00 H new ATOM 1404 N LYS A 90 22.408 -6.721 3.262 1.00 0.00 N ATOM 1405 CA LYS A 90 22.226 -6.800 4.706 1.00 0.00 C ATOM 1406 C LYS A 90 23.498 -6.382 5.437 1.00 0.00 C ATOM 1407 O LYS A 90 23.455 -5.566 6.357 1.00 0.00 O ATOM 1408 CB LYS A 90 21.834 -8.222 5.115 1.00 0.00 C ATOM 1409 CG LYS A 90 20.356 -8.520 4.935 1.00 0.00 C ATOM 1410 CD LYS A 90 20.105 -10.008 4.753 1.00 0.00 C ATOM 1411 CE LYS A 90 18.661 -10.371 5.065 1.00 0.00 C ATOM 1412 NZ LYS A 90 18.223 -11.586 4.324 1.00 0.00 N ATOM 0 H LYS A 90 22.301 -7.611 2.775 1.00 0.00 H new ATOM 0 HA LYS A 90 21.425 -6.115 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 90 22.414 -8.933 4.527 1.00 0.00 H new ATOM 0 HB3 LYS A 90 22.103 -8.378 6.160 1.00 0.00 H new ATOM 0 HG2 LYS A 90 19.803 -8.160 5.803 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.977 -7.978 4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 90 20.340 -10.295 3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 90 20.772 -10.573 5.404 1.00 0.00 H new ATOM 0 HE2 LYS A 90 18.552 -10.540 6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 90 18.012 -9.534 4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 17.185 -11.648 4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 18.549 -11.528 3.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 18.629 -12.432 4.773 1.00 0.00 H new ATOM 1426 N GLU A 91 24.627 -6.946 5.022 1.00 0.00 N ATOM 1427 CA GLU A 91 25.911 -6.631 5.639 1.00 0.00 C ATOM 1428 C GLU A 91 26.201 -5.135 5.555 1.00 0.00 C ATOM 1429 O GLU A 91 26.466 -4.484 6.566 1.00 0.00 O ATOM 1430 CB GLU A 91 27.035 -7.419 4.962 1.00 0.00 C ATOM 1431 CG GLU A 91 28.423 -7.033 5.443 1.00 0.00 C ATOM 1432 CD GLU A 91 29.516 -7.862 4.796 1.00 0.00 C ATOM 1433 OE1 GLU A 91 29.780 -7.658 3.592 1.00 0.00 O ATOM 1434 OE2 GLU A 91 30.105 -8.714 5.492 1.00 0.00 O ATOM 0 H GLU A 91 24.680 -7.623 4.261 1.00 0.00 H new ATOM 0 HA GLU A 91 25.860 -6.916 6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 91 26.880 -8.483 5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 91 26.977 -7.265 3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 91 28.597 -5.978 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 91 28.475 -7.152 6.525 1.00 0.00 H new ATOM 1441 N VAL A 92 26.151 -4.596 4.341 1.00 0.00 N ATOM 1442 CA VAL A 92 26.408 -3.178 4.123 1.00 0.00 C ATOM 1443 C VAL A 92 25.591 -2.318 5.080 1.00 0.00 C ATOM 1444 O VAL A 92 26.111 -1.384 5.690 1.00 0.00 O ATOM 1445 CB VAL A 92 26.084 -2.764 2.676 1.00 0.00 C ATOM 1446 CG1 VAL A 92 26.297 -1.270 2.486 1.00 0.00 C ATOM 1447 CG2 VAL A 92 26.930 -3.560 1.692 1.00 0.00 C ATOM 0 H VAL A 92 25.935 -5.120 3.493 1.00 0.00 H new ATOM 0 HA VAL A 92 27.470 -3.017 4.310 1.00 0.00 H new ATOM 0 HB VAL A 92 25.035 -2.985 2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 92 26.063 -0.997 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 92 25.645 -0.720 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 92 27.336 -1.021 2.700 1.00 0.00 H new ATOM 0 HG21 VAL A 92 26.688 -3.255 0.674 1.00 0.00 H new ATOM 0 HG22 VAL A 92 27.986 -3.373 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 92 26.722 -4.623 1.811 1.00 0.00 H new ATOM 1457 N ILE A 93 24.308 -2.639 5.208 1.00 0.00 N ATOM 1458 CA ILE A 93 23.418 -1.897 6.093 1.00 0.00 C ATOM 1459 C ILE A 93 23.785 -2.123 7.556 1.00 0.00 C ATOM 1460 O ILE A 93 23.811 -1.186 8.353 1.00 0.00 O ATOM 1461 CB ILE A 93 21.947 -2.297 5.876 1.00 0.00 C ATOM 1462 CG1 ILE A 93 21.502 -1.935 4.458 1.00 0.00 C ATOM 1463 CG2 ILE A 93 21.057 -1.617 6.906 1.00 0.00 C ATOM 1464 CD1 ILE A 93 20.121 -2.445 4.109 1.00 0.00 C ATOM 0 H ILE A 93 23.861 -3.409 4.710 1.00 0.00 H new ATOM 0 HA ILE A 93 23.538 -0.841 5.850 1.00 0.00 H new ATOM 0 HB ILE A 93 21.856 -3.376 6.001 1.00 0.00 H new ATOM 0 HG12 ILE A 93 21.519 -0.851 4.346 1.00 0.00 H new ATOM 0 HG13 ILE A 93 22.221 -2.340 3.746 1.00 0.00 H new ATOM 0 HG21 ILE A 93 20.020 -1.909 6.740 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.363 -1.919 7.908 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.149 -0.535 6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 93 19.872 -2.151 3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 93 20.104 -3.532 4.188 1.00 0.00 H new ATOM 0 HD13 ILE A 93 19.391 -2.020 4.798 1.00 0.00 H new ATOM 1476 N THR A 94 24.068 -3.376 7.903 1.00 0.00 N ATOM 1477 CA THR A 94 24.434 -3.725 9.270 1.00 0.00 C ATOM 1478 C THR A 94 25.589 -2.865 9.768 1.00 0.00 C ATOM 1479 O THR A 94 25.566 -2.369 10.892 1.00 0.00 O ATOM 1480 CB THR A 94 24.829 -5.210 9.383 1.00 0.00 C ATOM 1481 OG1 THR A 94 23.737 -6.040 8.971 1.00 0.00 O ATOM 1482 CG2 THR A 94 25.226 -5.557 10.810 1.00 0.00 C ATOM 0 H THR A 94 24.051 -4.165 7.256 1.00 0.00 H new ATOM 0 HA THR A 94 23.556 -3.541 9.889 1.00 0.00 H new ATOM 0 HB THR A 94 25.685 -5.386 8.731 1.00 0.00 H new ATOM 0 HG1 THR A 94 23.686 -6.051 7.992 1.00 0.00 H new ATOM 0 HG21 THR A 94 25.501 -6.610 10.865 1.00 0.00 H new ATOM 0 HG22 THR A 94 26.076 -4.944 11.111 1.00 0.00 H new ATOM 0 HG23 THR A 94 24.386 -5.366 11.478 1.00 0.00 H new ATOM 1490 N ASN A 95 26.599 -2.691 8.920 1.00 0.00 N ATOM 1491 CA ASN A 95 27.765 -1.890 9.276 1.00 0.00 C ATOM 1492 C ASN A 95 27.505 -0.408 9.017 1.00 0.00 C ATOM 1493 O ASN A 95 28.008 0.455 9.736 1.00 0.00 O ATOM 1494 CB ASN A 95 28.989 -2.351 8.481 1.00 0.00 C ATOM 1495 CG ASN A 95 29.571 -3.644 9.015 1.00 0.00 C ATOM 1496 OD1 ASN A 95 30.101 -3.687 10.126 1.00 0.00 O ATOM 1497 ND2 ASN A 95 29.476 -4.707 8.225 1.00 0.00 N ATOM 0 H ASN A 95 26.633 -3.093 7.983 1.00 0.00 H new ATOM 0 HA ASN A 95 27.959 -2.027 10.340 1.00 0.00 H new ATOM 0 HB2 ASN A 95 28.710 -2.485 7.436 1.00 0.00 H new ATOM 0 HB3 ASN A 95 29.752 -1.573 8.510 1.00 0.00 H new ATOM 0 HD21 ASN A 95 29.850 -5.605 8.531 1.00 0.00 H new ATOM 0 HD22 ASN A 95 29.029 -4.626 7.312 1.00 0.00 H new ATOM 1504 N SER A 96 26.717 -0.123 7.987 1.00 0.00 N ATOM 1505 CA SER A 96 26.392 1.254 7.632 1.00 0.00 C ATOM 1506 C SER A 96 25.101 1.701 8.310 1.00 0.00 C ATOM 1507 O SER A 96 24.480 2.683 7.903 1.00 0.00 O ATOM 1508 CB SER A 96 26.257 1.392 6.114 1.00 0.00 C ATOM 1509 OG SER A 96 26.042 2.743 5.742 1.00 0.00 O ATOM 0 H SER A 96 26.291 -0.826 7.383 1.00 0.00 H new ATOM 0 HA SER A 96 27.204 1.893 7.979 1.00 0.00 H new ATOM 0 HB2 SER A 96 27.159 1.017 5.630 1.00 0.00 H new ATOM 0 HB3 SER A 96 25.428 0.778 5.762 1.00 0.00 H new ATOM 0 HG SER A 96 25.399 3.154 6.358 1.00 0.00 H new ATOM 1515 N ILE A 97 24.704 0.973 9.349 1.00 0.00 N ATOM 1516 CA ILE A 97 23.488 1.294 10.087 1.00 0.00 C ATOM 1517 C ILE A 97 23.651 2.587 10.879 1.00 0.00 C ATOM 1518 O ILE A 97 22.680 3.134 11.403 1.00 0.00 O ATOM 1519 CB ILE A 97 23.098 0.159 11.051 1.00 0.00 C ATOM 1520 CG1 ILE A 97 21.669 0.360 11.559 1.00 0.00 C ATOM 1521 CG2 ILE A 97 24.076 0.095 12.216 1.00 0.00 C ATOM 1522 CD1 ILE A 97 20.620 0.239 10.476 1.00 0.00 C ATOM 0 H ILE A 97 25.207 0.157 9.699 1.00 0.00 H new ATOM 0 HA ILE A 97 22.695 1.420 9.350 1.00 0.00 H new ATOM 0 HB ILE A 97 23.142 -0.787 10.512 1.00 0.00 H new ATOM 0 HG12 ILE A 97 21.462 -0.374 12.338 1.00 0.00 H new ATOM 0 HG13 ILE A 97 21.591 1.344 12.021 1.00 0.00 H new ATOM 0 HG21 ILE A 97 23.788 -0.712 12.889 1.00 0.00 H new ATOM 0 HG22 ILE A 97 25.081 -0.090 11.837 1.00 0.00 H new ATOM 0 HG23 ILE A 97 24.060 1.041 12.757 1.00 0.00 H new ATOM 0 HD11 ILE A 97 19.631 0.393 10.908 1.00 0.00 H new ATOM 0 HD12 ILE A 97 20.801 0.991 9.708 1.00 0.00 H new ATOM 0 HD13 ILE A 97 20.670 -0.754 10.030 1.00 0.00 H new ATOM 1534 N THR A 98 24.886 3.072 10.961 1.00 0.00 N ATOM 1535 CA THR A 98 25.177 4.301 11.688 1.00 0.00 C ATOM 1536 C THR A 98 25.411 5.464 10.732 1.00 0.00 C ATOM 1537 O THR A 98 25.307 6.628 11.120 1.00 0.00 O ATOM 1538 CB THR A 98 26.414 4.140 12.593 1.00 0.00 C ATOM 1539 OG1 THR A 98 26.633 5.339 13.342 1.00 0.00 O ATOM 1540 CG2 THR A 98 27.650 3.818 11.767 1.00 0.00 C ATOM 0 H THR A 98 25.701 2.632 10.533 1.00 0.00 H new ATOM 0 HA THR A 98 24.306 4.513 12.308 1.00 0.00 H new ATOM 0 HB THR A 98 26.230 3.313 13.279 1.00 0.00 H new ATOM 0 HG1 THR A 98 26.163 6.084 12.912 1.00 0.00 H new ATOM 0 HG21 THR A 98 28.510 3.709 12.427 1.00 0.00 H new ATOM 0 HG22 THR A 98 27.491 2.888 11.221 1.00 0.00 H new ATOM 0 HG23 THR A 98 27.836 4.626 11.060 1.00 0.00 H new ATOM 1548 N GLN A 99 25.724 5.142 9.481 1.00 0.00 N ATOM 1549 CA GLN A 99 25.973 6.163 8.469 1.00 0.00 C ATOM 1550 C GLN A 99 24.960 6.060 7.333 1.00 0.00 C ATOM 1551 O GLN A 99 25.245 6.392 6.183 1.00 0.00 O ATOM 1552 CB GLN A 99 27.392 6.028 7.917 1.00 0.00 C ATOM 1553 CG GLN A 99 28.454 6.646 8.811 1.00 0.00 C ATOM 1554 CD GLN A 99 29.782 5.918 8.732 1.00 0.00 C ATOM 1555 OE1 GLN A 99 29.969 5.036 7.892 1.00 0.00 O ATOM 1556 NE2 GLN A 99 30.711 6.283 9.607 1.00 0.00 N ATOM 0 H GLN A 99 25.811 4.183 9.144 1.00 0.00 H new ATOM 0 HA GLN A 99 25.866 7.140 8.940 1.00 0.00 H new ATOM 0 HB2 GLN A 99 27.619 4.971 7.775 1.00 0.00 H new ATOM 0 HB3 GLN A 99 27.437 6.499 6.935 1.00 0.00 H new ATOM 0 HG2 GLN A 99 28.599 7.689 8.529 1.00 0.00 H new ATOM 0 HG3 GLN A 99 28.102 6.641 9.843 1.00 0.00 H new ATOM 0 HE21 GLN A 99 30.512 7.019 10.285 1.00 0.00 H new ATOM 0 HE22 GLN A 99 31.624 5.828 9.601 1.00 0.00 H new ATOM 1565 N PRO A 100 23.748 5.588 7.661 1.00 0.00 N ATOM 1566 CA PRO A 100 22.669 5.429 6.682 1.00 0.00 C ATOM 1567 C PRO A 100 22.124 6.770 6.199 1.00 0.00 C ATOM 1568 O PRO A 100 21.716 7.612 7.000 1.00 0.00 O ATOM 1569 CB PRO A 100 21.595 4.665 7.458 1.00 0.00 C ATOM 1570 CG PRO A 100 21.850 4.999 8.888 1.00 0.00 C ATOM 1571 CD PRO A 100 23.338 5.172 9.013 1.00 0.00 C ATOM 0 HA PRO A 100 23.008 4.917 5.781 1.00 0.00 H new ATOM 0 HB2 PRO A 100 20.594 4.970 7.153 1.00 0.00 H new ATOM 0 HB3 PRO A 100 21.669 3.592 7.283 1.00 0.00 H new ATOM 0 HG2 PRO A 100 21.326 5.910 9.176 1.00 0.00 H new ATOM 0 HG3 PRO A 100 21.493 4.205 9.544 1.00 0.00 H new ATOM 0 HD2 PRO A 100 23.594 5.924 9.760 1.00 0.00 H new ATOM 0 HD3 PRO A 100 23.826 4.245 9.314 1.00 0.00 H new ATOM 1579 N THR A 101 22.119 6.961 4.883 1.00 0.00 N ATOM 1580 CA THR A 101 21.626 8.199 4.294 1.00 0.00 C ATOM 1581 C THR A 101 20.185 8.047 3.820 1.00 0.00 C ATOM 1582 O THR A 101 19.599 6.967 3.918 1.00 0.00 O ATOM 1583 CB THR A 101 22.500 8.643 3.105 1.00 0.00 C ATOM 1584 OG1 THR A 101 22.461 7.654 2.071 1.00 0.00 O ATOM 1585 CG2 THR A 101 23.939 8.867 3.546 1.00 0.00 C ATOM 0 H THR A 101 22.451 6.274 4.206 1.00 0.00 H new ATOM 0 HA THR A 101 21.672 8.959 5.074 1.00 0.00 H new ATOM 0 HB THR A 101 22.103 9.583 2.722 1.00 0.00 H new ATOM 0 HG1 THR A 101 23.018 7.945 1.319 1.00 0.00 H new ATOM 0 HG21 THR A 101 24.537 9.180 2.690 1.00 0.00 H new ATOM 0 HG22 THR A 101 23.968 9.642 4.312 1.00 0.00 H new ATOM 0 HG23 THR A 101 24.344 7.940 3.952 1.00 0.00 H new ATOM 1593 N LEU A 102 19.618 9.132 3.305 1.00 0.00 N ATOM 1594 CA LEU A 102 18.244 9.118 2.815 1.00 0.00 C ATOM 1595 C LEU A 102 18.129 8.291 1.539 1.00 0.00 C ATOM 1596 O LEU A 102 17.086 7.699 1.261 1.00 0.00 O ATOM 1597 CB LEU A 102 17.760 10.546 2.556 1.00 0.00 C ATOM 1598 CG LEU A 102 17.670 11.456 3.781 1.00 0.00 C ATOM 1599 CD1 LEU A 102 17.267 12.864 3.371 1.00 0.00 C ATOM 1600 CD2 LEU A 102 16.686 10.892 4.795 1.00 0.00 C ATOM 0 H LEU A 102 20.088 10.033 3.216 1.00 0.00 H new ATOM 0 HA LEU A 102 17.616 8.661 3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 102 18.430 11.010 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 102 16.775 10.496 2.092 1.00 0.00 H new ATOM 0 HG LEU A 102 18.654 11.502 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 102 17.208 13.498 4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 102 18.009 13.269 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.294 12.836 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 102 16.636 11.553 5.660 1.00 0.00 H new ATOM 0 HD22 LEU A 102 15.699 10.814 4.340 1.00 0.00 H new ATOM 0 HD23 LEU A 102 17.018 9.904 5.113 1.00 0.00 H new ATOM 1612 N HIS A 103 19.210 8.252 0.766 1.00 0.00 N ATOM 1613 CA HIS A 103 19.231 7.494 -0.480 1.00 0.00 C ATOM 1614 C HIS A 103 19.899 6.137 -0.279 1.00 0.00 C ATOM 1615 O HIS A 103 20.313 5.489 -1.241 1.00 0.00 O ATOM 1616 CB HIS A 103 19.965 8.281 -1.567 1.00 0.00 C ATOM 1617 CG HIS A 103 19.507 9.702 -1.690 1.00 0.00 C ATOM 1618 ND1 HIS A 103 19.598 10.739 -0.827 1.00 0.00 N flip ATOM 1619 CD2 HIS A 103 18.867 10.191 -2.810 1.00 0.00 C flip ATOM 1620 CE1 HIS A 103 19.019 11.827 -1.433 1.00 0.00 C flip ATOM 1621 NE2 HIS A 103 18.585 11.470 -2.629 1.00 0.00 N flip ATOM 0 H HIS A 103 20.082 8.736 0.980 1.00 0.00 H new ATOM 0 HA HIS A 103 18.200 7.329 -0.794 1.00 0.00 H new ATOM 0 HB2 HIS A 103 21.034 8.270 -1.353 1.00 0.00 H new ATOM 0 HB3 HIS A 103 19.826 7.779 -2.524 1.00 0.00 H new ATOM 0 HD2 HIS A 103 18.633 9.619 -3.696 1.00 0.00 H new ATOM 0 HE1 HIS A 103 18.932 12.814 -1.002 1.00 0.00 H new ATOM 0 HE2 HIS A 103 18.113 12.078 -3.299 1.00 0.00 H new ATOM 1629 N SER A 104 20.003 5.714 0.976 1.00 0.00 N ATOM 1630 CA SER A 104 20.625 4.437 1.303 1.00 0.00 C ATOM 1631 C SER A 104 19.659 3.282 1.056 1.00 0.00 C ATOM 1632 O SER A 104 19.834 2.499 0.122 1.00 0.00 O ATOM 1633 CB SER A 104 21.085 4.428 2.762 1.00 0.00 C ATOM 1634 OG SER A 104 22.141 3.505 2.959 1.00 0.00 O ATOM 0 H SER A 104 19.664 6.237 1.783 1.00 0.00 H new ATOM 0 HA SER A 104 21.492 4.308 0.655 1.00 0.00 H new ATOM 0 HB2 SER A 104 21.413 5.427 3.049 1.00 0.00 H new ATOM 0 HB3 SER A 104 20.247 4.170 3.409 1.00 0.00 H new ATOM 0 HG SER A 104 22.418 3.520 3.899 1.00 0.00 H new ATOM 1640 N PHE A 105 18.637 3.183 1.899 1.00 0.00 N ATOM 1641 CA PHE A 105 17.642 2.125 1.775 1.00 0.00 C ATOM 1642 C PHE A 105 17.207 1.956 0.322 1.00 0.00 C ATOM 1643 O PHE A 105 16.854 0.858 -0.109 1.00 0.00 O ATOM 1644 CB PHE A 105 16.426 2.432 2.650 1.00 0.00 C ATOM 1645 CG PHE A 105 16.597 2.011 4.083 1.00 0.00 C ATOM 1646 CD1 PHE A 105 16.812 0.681 4.407 1.00 0.00 C ATOM 1647 CD2 PHE A 105 16.545 2.946 5.104 1.00 0.00 C ATOM 1648 CE1 PHE A 105 16.968 0.292 5.723 1.00 0.00 C ATOM 1649 CE2 PHE A 105 16.702 2.562 6.423 1.00 0.00 C ATOM 1650 CZ PHE A 105 16.914 1.233 6.732 1.00 0.00 C ATOM 0 H PHE A 105 18.476 3.824 2.676 1.00 0.00 H new ATOM 0 HA PHE A 105 18.096 1.193 2.112 1.00 0.00 H new ATOM 0 HB2 PHE A 105 16.225 3.503 2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 105 15.553 1.930 2.234 1.00 0.00 H new ATOM 0 HD1 PHE A 105 16.858 -0.059 3.622 1.00 0.00 H new ATOM 0 HD2 PHE A 105 16.380 3.987 4.867 1.00 0.00 H new ATOM 0 HE1 PHE A 105 17.132 -0.748 5.963 1.00 0.00 H new ATOM 0 HE2 PHE A 105 16.659 3.300 7.210 1.00 0.00 H new ATOM 0 HZ PHE A 105 17.037 0.930 7.761 1.00 0.00 H new ATOM 1660 N ASP A 106 17.234 3.052 -0.428 1.00 0.00 N ATOM 1661 CA ASP A 106 16.843 3.028 -1.833 1.00 0.00 C ATOM 1662 C ASP A 106 17.289 1.730 -2.498 1.00 0.00 C ATOM 1663 O ASP A 106 16.551 1.141 -3.288 1.00 0.00 O ATOM 1664 CB ASP A 106 17.442 4.226 -2.573 1.00 0.00 C ATOM 1665 CG ASP A 106 16.685 5.511 -2.301 1.00 0.00 C ATOM 1666 OD1 ASP A 106 16.546 5.878 -1.115 1.00 0.00 O ATOM 1667 OD2 ASP A 106 16.232 6.150 -3.274 1.00 0.00 O ATOM 0 H ASP A 106 17.523 3.969 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 106 15.756 3.087 -1.883 1.00 0.00 H new ATOM 0 HB2 ASP A 106 18.483 4.351 -2.274 1.00 0.00 H new ATOM 0 HB3 ASP A 106 17.440 4.026 -3.644 1.00 0.00 H new ATOM 1672 N ALA A 107 18.500 1.289 -2.174 1.00 0.00 N ATOM 1673 CA ALA A 107 19.042 0.060 -2.739 1.00 0.00 C ATOM 1674 C ALA A 107 18.198 -1.146 -2.344 1.00 0.00 C ATOM 1675 O ALA A 107 17.667 -1.852 -3.201 1.00 0.00 O ATOM 1676 CB ALA A 107 20.485 -0.134 -2.294 1.00 0.00 C ATOM 0 H ALA A 107 19.124 1.765 -1.523 1.00 0.00 H new ATOM 0 HA ALA A 107 19.016 0.147 -3.825 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.877 -1.056 -2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 107 21.087 0.709 -2.633 1.00 0.00 H new ATOM 0 HB3 ALA A 107 20.525 -0.194 -1.206 1.00 0.00 H new ATOM 1682 N ALA A 108 18.078 -1.377 -1.041 1.00 0.00 N ATOM 1683 CA ALA A 108 17.298 -2.497 -0.532 1.00 0.00 C ATOM 1684 C ALA A 108 15.865 -2.451 -1.055 1.00 0.00 C ATOM 1685 O ALA A 108 15.313 -3.470 -1.468 1.00 0.00 O ATOM 1686 CB ALA A 108 17.305 -2.499 0.990 1.00 0.00 C ATOM 0 H ALA A 108 18.512 -0.802 -0.318 1.00 0.00 H new ATOM 0 HA ALA A 108 17.759 -3.419 -0.888 1.00 0.00 H new ATOM 0 HB1 ALA A 108 16.718 -3.342 1.355 1.00 0.00 H new ATOM 0 HB2 ALA A 108 18.330 -2.588 1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 108 16.872 -1.569 1.357 1.00 0.00 H new ATOM 1692 N GLN A 109 15.271 -1.262 -1.033 1.00 0.00 N ATOM 1693 CA GLN A 109 13.902 -1.084 -1.504 1.00 0.00 C ATOM 1694 C GLN A 109 13.720 -1.693 -2.891 1.00 0.00 C ATOM 1695 O GLN A 109 12.692 -2.303 -3.181 1.00 0.00 O ATOM 1696 CB GLN A 109 13.540 0.401 -1.534 1.00 0.00 C ATOM 1697 CG GLN A 109 12.127 0.672 -2.026 1.00 0.00 C ATOM 1698 CD GLN A 109 11.769 2.145 -1.988 1.00 0.00 C ATOM 1699 OE1 GLN A 109 10.720 2.480 -1.246 1.00 0.00 O flip ATOM 1700 NE2 GLN A 109 12.428 2.973 -2.617 1.00 0.00 N flip ATOM 0 H GLN A 109 15.715 -0.409 -0.695 1.00 0.00 H new ATOM 0 HA GLN A 109 13.236 -1.599 -0.811 1.00 0.00 H new ATOM 0 HB2 GLN A 109 13.653 0.814 -0.532 1.00 0.00 H new ATOM 0 HB3 GLN A 109 14.247 0.926 -2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 109 12.025 0.303 -3.047 1.00 0.00 H new ATOM 0 HG3 GLN A 109 11.419 0.114 -1.413 1.00 0.00 H new ATOM 0 HE21 GLN A 109 13.227 2.672 -3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 109 12.175 3.960 -2.580 1.00 0.00 H new ATOM 1709 N SER A 110 14.727 -1.523 -3.743 1.00 0.00 N ATOM 1710 CA SER A 110 14.677 -2.052 -5.101 1.00 0.00 C ATOM 1711 C SER A 110 14.418 -3.555 -5.089 1.00 0.00 C ATOM 1712 O SER A 110 13.473 -4.039 -5.713 1.00 0.00 O ATOM 1713 CB SER A 110 15.984 -1.753 -5.836 1.00 0.00 C ATOM 1714 OG SER A 110 16.045 -2.446 -7.071 1.00 0.00 O ATOM 0 H SER A 110 15.587 -1.023 -3.516 1.00 0.00 H new ATOM 0 HA SER A 110 13.855 -1.564 -5.625 1.00 0.00 H new ATOM 0 HB2 SER A 110 16.068 -0.681 -6.013 1.00 0.00 H new ATOM 0 HB3 SER A 110 16.830 -2.041 -5.212 1.00 0.00 H new ATOM 0 HG SER A 110 16.889 -2.237 -7.522 1.00 0.00 H new ATOM 1720 N ARG A 111 15.265 -4.289 -4.376 1.00 0.00 N ATOM 1721 CA ARG A 111 15.131 -5.738 -4.283 1.00 0.00 C ATOM 1722 C ARG A 111 13.672 -6.136 -4.074 1.00 0.00 C ATOM 1723 O ARG A 111 13.090 -6.849 -4.891 1.00 0.00 O ATOM 1724 CB ARG A 111 15.987 -6.279 -3.136 1.00 0.00 C ATOM 1725 CG ARG A 111 17.408 -6.625 -3.548 1.00 0.00 C ATOM 1726 CD ARG A 111 17.479 -7.992 -4.211 1.00 0.00 C ATOM 1727 NE ARG A 111 17.263 -7.912 -5.653 1.00 0.00 N ATOM 1728 CZ ARG A 111 17.364 -8.954 -6.469 1.00 0.00 C ATOM 1729 NH1 ARG A 111 17.674 -10.151 -5.988 1.00 0.00 N ATOM 1730 NH2 ARG A 111 17.153 -8.803 -7.770 1.00 0.00 N ATOM 0 H ARG A 111 16.052 -3.904 -3.854 1.00 0.00 H new ATOM 0 HA ARG A 111 15.478 -6.171 -5.221 1.00 0.00 H new ATOM 0 HB2 ARG A 111 16.019 -5.538 -2.337 1.00 0.00 H new ATOM 0 HB3 ARG A 111 15.510 -7.169 -2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 111 17.784 -5.866 -4.235 1.00 0.00 H new ATOM 0 HG3 ARG A 111 18.056 -6.610 -2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 111 18.453 -8.440 -4.015 1.00 0.00 H new ATOM 0 HD3 ARG A 111 16.731 -8.649 -3.768 1.00 0.00 H new ATOM 0 HE ARG A 111 17.021 -7.006 -6.055 1.00 0.00 H new ATOM 0 HH11 ARG A 111 17.836 -10.273 -4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 111 17.751 -10.950 -6.618 1.00 0.00 H new ATOM 0 HH21 ARG A 111 16.913 -7.885 -8.145 1.00 0.00 H new ATOM 0 HH22 ARG A 111 17.231 -9.605 -8.396 1.00 0.00 H new ATOM 1744 N VAL A 112 13.089 -5.670 -2.974 1.00 0.00 N ATOM 1745 CA VAL A 112 11.699 -5.978 -2.658 1.00 0.00 C ATOM 1746 C VAL A 112 10.769 -5.533 -3.782 1.00 0.00 C ATOM 1747 O VAL A 112 9.995 -6.331 -4.313 1.00 0.00 O ATOM 1748 CB VAL A 112 11.259 -5.302 -1.347 1.00 0.00 C ATOM 1749 CG1 VAL A 112 9.802 -5.619 -1.044 1.00 0.00 C ATOM 1750 CG2 VAL A 112 12.156 -5.735 -0.197 1.00 0.00 C ATOM 0 H VAL A 112 13.557 -5.078 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 112 11.633 -7.060 -2.541 1.00 0.00 H new ATOM 0 HB VAL A 112 11.354 -4.223 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 112 9.510 -5.132 -0.114 1.00 0.00 H new ATOM 0 HG12 VAL A 112 9.174 -5.255 -1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 112 9.677 -6.697 -0.944 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.830 -5.247 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.095 -6.816 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 112 13.186 -5.452 -0.413 1.00 0.00 H new ATOM 1760 N TYR A 113 10.851 -4.257 -4.140 1.00 0.00 N ATOM 1761 CA TYR A 113 10.015 -3.706 -5.201 1.00 0.00 C ATOM 1762 C TYR A 113 9.915 -4.675 -6.375 1.00 0.00 C ATOM 1763 O TYR A 113 8.846 -4.847 -6.961 1.00 0.00 O ATOM 1764 CB TYR A 113 10.578 -2.366 -5.677 1.00 0.00 C ATOM 1765 CG TYR A 113 9.949 -1.866 -6.959 1.00 0.00 C ATOM 1766 CD1 TYR A 113 8.784 -1.109 -6.935 1.00 0.00 C ATOM 1767 CD2 TYR A 113 10.519 -2.153 -8.193 1.00 0.00 C ATOM 1768 CE1 TYR A 113 8.206 -0.652 -8.104 1.00 0.00 C ATOM 1769 CE2 TYR A 113 9.949 -1.698 -9.366 1.00 0.00 C ATOM 1770 CZ TYR A 113 8.792 -0.948 -9.316 1.00 0.00 C ATOM 1771 OH TYR A 113 8.220 -0.495 -10.483 1.00 0.00 O ATOM 0 H TYR A 113 11.487 -3.585 -3.712 1.00 0.00 H new ATOM 0 HA TYR A 113 9.015 -3.550 -4.797 1.00 0.00 H new ATOM 0 HB2 TYR A 113 10.430 -1.621 -4.895 1.00 0.00 H new ATOM 0 HB3 TYR A 113 11.653 -2.465 -5.824 1.00 0.00 H new ATOM 0 HD1 TYR A 113 8.323 -0.874 -5.987 1.00 0.00 H new ATOM 0 HD2 TYR A 113 11.423 -2.742 -8.236 1.00 0.00 H new ATOM 0 HE1 TYR A 113 7.300 -0.066 -8.068 1.00 0.00 H new ATOM 0 HE2 TYR A 113 10.406 -1.928 -10.317 1.00 0.00 H new ATOM 0 HH TYR A 113 8.758 -0.790 -11.247 1.00 0.00 H new ATOM 1781 N GLN A 114 11.036 -5.305 -6.710 1.00 0.00 N ATOM 1782 CA GLN A 114 11.075 -6.256 -7.815 1.00 0.00 C ATOM 1783 C GLN A 114 10.467 -7.593 -7.403 1.00 0.00 C ATOM 1784 O GLN A 114 9.587 -8.122 -8.084 1.00 0.00 O ATOM 1785 CB GLN A 114 12.515 -6.462 -8.288 1.00 0.00 C ATOM 1786 CG GLN A 114 13.210 -5.174 -8.698 1.00 0.00 C ATOM 1787 CD GLN A 114 14.329 -5.408 -9.696 1.00 0.00 C ATOM 1788 OE1 GLN A 114 15.325 -6.060 -9.386 1.00 0.00 O ATOM 1789 NE2 GLN A 114 14.168 -4.873 -10.900 1.00 0.00 N ATOM 0 H GLN A 114 11.928 -5.175 -6.233 1.00 0.00 H new ATOM 0 HA GLN A 114 10.486 -5.846 -8.635 1.00 0.00 H new ATOM 0 HB2 GLN A 114 13.087 -6.936 -7.490 1.00 0.00 H new ATOM 0 HB3 GLN A 114 12.516 -7.151 -9.133 1.00 0.00 H new ATOM 0 HG2 GLN A 114 12.478 -4.492 -9.131 1.00 0.00 H new ATOM 0 HG3 GLN A 114 13.615 -4.686 -7.812 1.00 0.00 H new ATOM 0 HE21 GLN A 114 13.325 -4.340 -11.113 1.00 0.00 H new ATOM 0 HE22 GLN A 114 14.887 -4.995 -11.613 1.00 0.00 H new ATOM 1798 N LEU A 115 10.941 -8.134 -6.287 1.00 0.00 N ATOM 1799 CA LEU A 115 10.443 -9.410 -5.784 1.00 0.00 C ATOM 1800 C LEU A 115 8.921 -9.402 -5.689 1.00 0.00 C ATOM 1801 O LEU A 115 8.270 -10.423 -5.908 1.00 0.00 O ATOM 1802 CB LEU A 115 11.050 -9.711 -4.412 1.00 0.00 C ATOM 1803 CG LEU A 115 12.463 -10.293 -4.416 1.00 0.00 C ATOM 1804 CD1 LEU A 115 13.217 -9.872 -3.164 1.00 0.00 C ATOM 1805 CD2 LEU A 115 12.416 -11.810 -4.528 1.00 0.00 C ATOM 0 H LEU A 115 11.669 -7.710 -5.713 1.00 0.00 H new ATOM 0 HA LEU A 115 10.740 -10.190 -6.485 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.060 -8.789 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.393 -10.408 -3.891 1.00 0.00 H new ATOM 0 HG LEU A 115 12.994 -9.902 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 115 14.221 -10.296 -3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 115 13.283 -8.785 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 115 12.688 -10.234 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 115 13.431 -12.206 -4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 115 11.867 -12.221 -3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 115 11.916 -12.091 -5.455 1.00 0.00 H new ATOM 1817 N MET A 116 8.360 -8.243 -5.363 1.00 0.00 N ATOM 1818 CA MET A 116 6.913 -8.101 -5.244 1.00 0.00 C ATOM 1819 C MET A 116 6.267 -7.938 -6.616 1.00 0.00 C ATOM 1820 O MET A 116 5.366 -8.693 -6.980 1.00 0.00 O ATOM 1821 CB MET A 116 6.568 -6.901 -4.359 1.00 0.00 C ATOM 1822 CG MET A 116 7.150 -6.992 -2.957 1.00 0.00 C ATOM 1823 SD MET A 116 6.607 -5.644 -1.891 1.00 0.00 S ATOM 1824 CE MET A 116 7.201 -4.226 -2.811 1.00 0.00 C ATOM 0 H MET A 116 8.885 -7.388 -5.176 1.00 0.00 H new ATOM 0 HA MET A 116 6.521 -9.008 -4.784 1.00 0.00 H new ATOM 0 HB2 MET A 116 6.932 -5.991 -4.836 1.00 0.00 H new ATOM 0 HB3 MET A 116 5.484 -6.812 -4.288 1.00 0.00 H new ATOM 0 HG2 MET A 116 6.862 -7.943 -2.509 1.00 0.00 H new ATOM 0 HG3 MET A 116 8.238 -6.986 -3.018 1.00 0.00 H new ATOM 0 HE1 MET A 116 7.004 -3.316 -2.244 1.00 0.00 H new ATOM 0 HE2 MET A 116 8.274 -4.324 -2.979 1.00 0.00 H new ATOM 0 HE3 MET A 116 6.687 -4.174 -3.771 1.00 0.00 H new ATOM 1834 N GLU A 117 6.734 -6.949 -7.371 1.00 0.00 N ATOM 1835 CA GLU A 117 6.200 -6.688 -8.702 1.00 0.00 C ATOM 1836 C GLU A 117 6.192 -7.960 -9.545 1.00 0.00 C ATOM 1837 O GLU A 117 5.514 -8.034 -10.568 1.00 0.00 O ATOM 1838 CB GLU A 117 7.021 -5.604 -9.402 1.00 0.00 C ATOM 1839 CG GLU A 117 6.724 -5.478 -10.887 1.00 0.00 C ATOM 1840 CD GLU A 117 7.709 -4.575 -11.605 1.00 0.00 C ATOM 1841 OE1 GLU A 117 8.294 -3.693 -10.943 1.00 0.00 O ATOM 1842 OE2 GLU A 117 7.892 -4.749 -12.827 1.00 0.00 O ATOM 0 H GLU A 117 7.480 -6.316 -7.084 1.00 0.00 H new ATOM 0 HA GLU A 117 5.173 -6.340 -8.591 1.00 0.00 H new ATOM 0 HB2 GLU A 117 6.829 -4.646 -8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 117 8.081 -5.821 -9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 117 6.745 -6.468 -11.343 1.00 0.00 H new ATOM 0 HG3 GLU A 117 5.715 -5.087 -11.020 1.00 0.00 H new ATOM 1849 N GLN A 118 6.954 -8.957 -9.106 1.00 0.00 N ATOM 1850 CA GLN A 118 7.037 -10.226 -9.820 1.00 0.00 C ATOM 1851 C GLN A 118 6.201 -11.297 -9.128 1.00 0.00 C ATOM 1852 O GLN A 118 5.564 -12.121 -9.783 1.00 0.00 O ATOM 1853 CB GLN A 118 8.493 -10.685 -9.921 1.00 0.00 C ATOM 1854 CG GLN A 118 8.958 -11.500 -8.725 1.00 0.00 C ATOM 1855 CD GLN A 118 10.287 -12.186 -8.968 1.00 0.00 C ATOM 1856 OE1 GLN A 118 11.208 -11.598 -9.534 1.00 0.00 O ATOM 1857 NE2 GLN A 118 10.393 -13.440 -8.541 1.00 0.00 N ATOM 0 H GLN A 118 7.522 -8.911 -8.260 1.00 0.00 H new ATOM 0 HA GLN A 118 6.641 -10.075 -10.824 1.00 0.00 H new ATOM 0 HB2 GLN A 118 8.616 -11.280 -10.826 1.00 0.00 H new ATOM 0 HB3 GLN A 118 9.135 -9.810 -10.026 1.00 0.00 H new ATOM 0 HG2 GLN A 118 9.044 -10.847 -7.856 1.00 0.00 H new ATOM 0 HG3 GLN A 118 8.204 -12.250 -8.486 1.00 0.00 H new ATOM 0 HE21 GLN A 118 9.604 -13.889 -8.076 1.00 0.00 H new ATOM 0 HE22 GLN A 118 11.264 -13.953 -8.678 1.00 0.00 H new ATOM 1866 N ASP A 119 6.208 -11.278 -7.799 1.00 0.00 N ATOM 1867 CA ASP A 119 5.449 -12.247 -7.017 1.00 0.00 C ATOM 1868 C ASP A 119 4.118 -11.657 -6.563 1.00 0.00 C ATOM 1869 O ASP A 119 3.056 -12.048 -7.049 1.00 0.00 O ATOM 1870 CB ASP A 119 6.260 -12.701 -5.802 1.00 0.00 C ATOM 1871 CG ASP A 119 5.978 -14.141 -5.422 1.00 0.00 C ATOM 1872 OD1 ASP A 119 4.812 -14.571 -5.553 1.00 0.00 O ATOM 1873 OD2 ASP A 119 6.922 -14.838 -4.993 1.00 0.00 O ATOM 0 H ASP A 119 6.731 -10.602 -7.241 1.00 0.00 H new ATOM 0 HA ASP A 119 5.246 -13.109 -7.652 1.00 0.00 H new ATOM 0 HB2 ASP A 119 7.323 -12.586 -6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.033 -12.054 -4.955 1.00 0.00 H new ATOM 1878 N SER A 120 4.182 -10.713 -5.629 1.00 0.00 N ATOM 1879 CA SER A 120 2.981 -10.072 -5.106 1.00 0.00 C ATOM 1880 C SER A 120 2.069 -9.618 -6.243 1.00 0.00 C ATOM 1881 O SER A 120 0.857 -9.826 -6.201 1.00 0.00 O ATOM 1882 CB SER A 120 3.356 -8.875 -4.230 1.00 0.00 C ATOM 1883 OG SER A 120 3.435 -7.687 -4.997 1.00 0.00 O ATOM 0 H SER A 120 5.053 -10.375 -5.219 1.00 0.00 H new ATOM 0 HA SER A 120 2.444 -10.802 -4.501 1.00 0.00 H new ATOM 0 HB2 SER A 120 2.616 -8.753 -3.440 1.00 0.00 H new ATOM 0 HB3 SER A 120 4.313 -9.062 -3.744 1.00 0.00 H new ATOM 0 HG SER A 120 2.788 -7.034 -4.656 1.00 0.00 H new ATOM 1889 N TYR A 121 2.662 -8.997 -7.256 1.00 0.00 N ATOM 1890 CA TYR A 121 1.904 -8.511 -8.403 1.00 0.00 C ATOM 1891 C TYR A 121 1.234 -9.665 -9.141 1.00 0.00 C ATOM 1892 O TYR A 121 0.008 -9.788 -9.144 1.00 0.00 O ATOM 1893 CB TYR A 121 2.820 -7.744 -9.358 1.00 0.00 C ATOM 1894 CG TYR A 121 2.073 -6.910 -10.375 1.00 0.00 C ATOM 1895 CD1 TYR A 121 1.279 -5.840 -9.978 1.00 0.00 C ATOM 1896 CD2 TYR A 121 2.160 -7.192 -11.732 1.00 0.00 C ATOM 1897 CE1 TYR A 121 0.595 -5.076 -10.902 1.00 0.00 C ATOM 1898 CE2 TYR A 121 1.480 -6.433 -12.665 1.00 0.00 C ATOM 1899 CZ TYR A 121 0.698 -5.377 -12.245 1.00 0.00 C ATOM 1900 OH TYR A 121 0.018 -4.619 -13.170 1.00 0.00 O ATOM 0 H TYR A 121 3.665 -8.818 -7.307 1.00 0.00 H new ATOM 0 HA TYR A 121 1.128 -7.839 -8.036 1.00 0.00 H new ATOM 0 HB2 TYR A 121 3.474 -7.094 -8.777 1.00 0.00 H new ATOM 0 HB3 TYR A 121 3.460 -8.453 -9.882 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.196 -5.602 -8.928 1.00 0.00 H new ATOM 0 HD2 TYR A 121 2.770 -8.019 -12.064 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -0.017 -4.248 -10.576 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.560 -6.665 -13.717 1.00 0.00 H new ATOM 0 HH TYR A 121 0.499 -4.635 -14.023 1.00 0.00 H new ATOM 1910 N THR A 122 2.046 -10.509 -9.768 1.00 0.00 N ATOM 1911 CA THR A 122 1.533 -11.654 -10.511 1.00 0.00 C ATOM 1912 C THR A 122 0.367 -12.307 -9.779 1.00 0.00 C ATOM 1913 O THR A 122 -0.703 -12.512 -10.352 1.00 0.00 O ATOM 1914 CB THR A 122 2.632 -12.708 -10.747 1.00 0.00 C ATOM 1915 OG1 THR A 122 3.298 -13.005 -9.516 1.00 0.00 O ATOM 1916 CG2 THR A 122 3.642 -12.216 -11.772 1.00 0.00 C ATOM 0 H THR A 122 3.062 -10.422 -9.777 1.00 0.00 H new ATOM 0 HA THR A 122 1.188 -11.277 -11.474 1.00 0.00 H new ATOM 0 HB THR A 122 2.161 -13.613 -11.131 1.00 0.00 H new ATOM 0 HG1 THR A 122 4.257 -13.119 -9.682 1.00 0.00 H new ATOM 0 HG21 THR A 122 4.408 -12.977 -11.922 1.00 0.00 H new ATOM 0 HG22 THR A 122 3.135 -12.020 -12.717 1.00 0.00 H new ATOM 0 HG23 THR A 122 4.108 -11.298 -11.413 1.00 0.00 H new ATOM 1924 N ARG A 123 0.580 -12.632 -8.507 1.00 0.00 N ATOM 1925 CA ARG A 123 -0.454 -13.263 -7.697 1.00 0.00 C ATOM 1926 C ARG A 123 -1.616 -12.304 -7.453 1.00 0.00 C ATOM 1927 O ARG A 123 -2.780 -12.659 -7.642 1.00 0.00 O ATOM 1928 CB ARG A 123 0.128 -13.726 -6.360 1.00 0.00 C ATOM 1929 CG ARG A 123 1.030 -14.943 -6.478 1.00 0.00 C ATOM 1930 CD ARG A 123 2.128 -14.927 -5.425 1.00 0.00 C ATOM 1931 NE ARG A 123 1.586 -14.972 -4.069 1.00 0.00 N ATOM 1932 CZ ARG A 123 2.200 -14.448 -3.015 1.00 0.00 C ATOM 1933 NH1 ARG A 123 3.370 -13.841 -3.159 1.00 0.00 N ATOM 1934 NH2 ARG A 123 1.644 -14.530 -1.812 1.00 0.00 N ATOM 0 H ARG A 123 1.459 -12.468 -8.016 1.00 0.00 H new ATOM 0 HA ARG A 123 -0.829 -14.129 -8.242 1.00 0.00 H new ATOM 0 HB2 ARG A 123 0.694 -12.907 -5.916 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.690 -13.955 -5.677 1.00 0.00 H new ATOM 0 HG2 ARG A 123 0.435 -15.850 -6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 123 1.478 -14.971 -7.472 1.00 0.00 H new ATOM 0 HD2 ARG A 123 2.791 -15.779 -5.579 1.00 0.00 H new ATOM 0 HD3 ARG A 123 2.732 -14.028 -5.544 1.00 0.00 H new ATOM 0 HE ARG A 123 0.687 -15.431 -3.924 1.00 0.00 H new ATOM 0 HH11 ARG A 123 3.801 -13.776 -4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 123 3.839 -13.439 -2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 123 0.744 -14.996 -1.697 1.00 0.00 H new ATOM 0 HH22 ARG A 123 2.117 -14.127 -1.003 1.00 0.00 H new ATOM 1948 N PHE A 124 -1.291 -11.086 -7.033 1.00 0.00 N ATOM 1949 CA PHE A 124 -2.307 -10.074 -6.762 1.00 0.00 C ATOM 1950 C PHE A 124 -3.297 -9.974 -7.919 1.00 0.00 C ATOM 1951 O PHE A 124 -4.511 -10.023 -7.717 1.00 0.00 O ATOM 1952 CB PHE A 124 -1.650 -8.714 -6.519 1.00 0.00 C ATOM 1953 CG PHE A 124 -2.637 -7.602 -6.305 1.00 0.00 C ATOM 1954 CD1 PHE A 124 -3.523 -7.639 -5.240 1.00 0.00 C ATOM 1955 CD2 PHE A 124 -2.678 -6.519 -7.168 1.00 0.00 C ATOM 1956 CE1 PHE A 124 -4.433 -6.618 -5.042 1.00 0.00 C ATOM 1957 CE2 PHE A 124 -3.585 -5.494 -6.974 1.00 0.00 C ATOM 1958 CZ PHE A 124 -4.463 -5.543 -5.910 1.00 0.00 C ATOM 0 H PHE A 124 -0.333 -10.775 -6.873 1.00 0.00 H new ATOM 0 HA PHE A 124 -2.851 -10.372 -5.866 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -0.999 -8.784 -5.648 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -1.016 -8.468 -7.371 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -3.502 -8.475 -4.557 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -1.993 -6.475 -8.002 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.120 -6.660 -4.210 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -3.607 -4.656 -7.654 1.00 0.00 H new ATOM 0 HZ PHE A 124 -5.172 -4.743 -5.756 1.00 0.00 H new ATOM 1968 N LEU A 125 -2.769 -9.835 -9.130 1.00 0.00 N ATOM 1969 CA LEU A 125 -3.606 -9.728 -10.320 1.00 0.00 C ATOM 1970 C LEU A 125 -4.575 -10.902 -10.413 1.00 0.00 C ATOM 1971 O LEU A 125 -5.710 -10.751 -10.864 1.00 0.00 O ATOM 1972 CB LEU A 125 -2.735 -9.670 -11.576 1.00 0.00 C ATOM 1973 CG LEU A 125 -1.934 -8.383 -11.779 1.00 0.00 C ATOM 1974 CD1 LEU A 125 -0.981 -8.527 -12.956 1.00 0.00 C ATOM 1975 CD2 LEU A 125 -2.870 -7.201 -11.991 1.00 0.00 C ATOM 0 H LEU A 125 -1.767 -9.794 -9.314 1.00 0.00 H new ATOM 0 HA LEU A 125 -4.186 -8.808 -10.244 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.038 -10.508 -11.549 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.376 -9.816 -12.445 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.345 -8.199 -10.881 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.420 -7.602 -13.085 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -0.289 -9.347 -12.766 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.550 -8.735 -13.862 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -2.283 -6.293 -12.134 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -3.485 -7.378 -12.873 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -3.512 -7.084 -11.118 1.00 0.00 H new ATOM 1987 N LYS A 126 -4.119 -12.073 -9.982 1.00 0.00 N ATOM 1988 CA LYS A 126 -4.945 -13.274 -10.013 1.00 0.00 C ATOM 1989 C LYS A 126 -5.469 -13.611 -8.619 1.00 0.00 C ATOM 1990 O LYS A 126 -5.909 -14.731 -8.364 1.00 0.00 O ATOM 1991 CB LYS A 126 -4.145 -14.455 -10.566 1.00 0.00 C ATOM 1992 CG LYS A 126 -2.916 -14.797 -9.742 1.00 0.00 C ATOM 1993 CD LYS A 126 -2.564 -16.271 -9.851 1.00 0.00 C ATOM 1994 CE LYS A 126 -1.959 -16.600 -11.207 1.00 0.00 C ATOM 1995 NZ LYS A 126 -0.616 -15.982 -11.381 1.00 0.00 N ATOM 0 H LYS A 126 -3.181 -12.216 -9.607 1.00 0.00 H new ATOM 0 HA LYS A 126 -5.796 -13.081 -10.666 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -4.793 -15.330 -10.617 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -3.836 -14.228 -11.586 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -2.072 -14.195 -10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -3.094 -14.541 -8.698 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -1.860 -16.537 -9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -3.459 -16.873 -9.695 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -1.878 -17.682 -11.315 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -2.625 -16.250 -11.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -0.119 -16.447 -12.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -0.724 -14.969 -11.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -0.065 -16.097 -10.507 1.00 0.00 H new ATOM 2009 N SER A 127 -5.420 -12.631 -7.721 1.00 0.00 N ATOM 2010 CA SER A 127 -5.886 -12.824 -6.354 1.00 0.00 C ATOM 2011 C SER A 127 -7.358 -12.442 -6.223 1.00 0.00 C ATOM 2012 O SER A 127 -7.796 -11.425 -6.759 1.00 0.00 O ATOM 2013 CB SER A 127 -5.045 -11.994 -5.383 1.00 0.00 C ATOM 2014 OG SER A 127 -5.519 -10.661 -5.308 1.00 0.00 O ATOM 0 H SER A 127 -5.062 -11.696 -7.917 1.00 0.00 H new ATOM 0 HA SER A 127 -5.778 -13.880 -6.106 1.00 0.00 H new ATOM 0 HB2 SER A 127 -5.072 -12.449 -4.393 1.00 0.00 H new ATOM 0 HB3 SER A 127 -4.004 -11.995 -5.706 1.00 0.00 H new ATOM 0 HG SER A 127 -5.146 -10.139 -6.049 1.00 0.00 H new ATOM 2020 N ASP A 128 -8.115 -13.267 -5.508 1.00 0.00 N ATOM 2021 CA ASP A 128 -9.538 -13.017 -5.305 1.00 0.00 C ATOM 2022 C ASP A 128 -9.786 -11.557 -4.941 1.00 0.00 C ATOM 2023 O ASP A 128 -10.567 -10.868 -5.598 1.00 0.00 O ATOM 2024 CB ASP A 128 -10.086 -13.930 -4.208 1.00 0.00 C ATOM 2025 CG ASP A 128 -11.509 -13.577 -3.818 1.00 0.00 C ATOM 2026 OD1 ASP A 128 -12.291 -13.193 -4.713 1.00 0.00 O ATOM 2027 OD2 ASP A 128 -11.840 -13.685 -2.619 1.00 0.00 O ATOM 0 H ASP A 128 -7.767 -14.115 -5.059 1.00 0.00 H new ATOM 0 HA ASP A 128 -10.057 -13.233 -6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -10.052 -14.965 -4.550 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -9.444 -13.863 -3.329 1.00 0.00 H new ATOM 2032 N ILE A 129 -9.118 -11.092 -3.891 1.00 0.00 N ATOM 2033 CA ILE A 129 -9.267 -9.714 -3.440 1.00 0.00 C ATOM 2034 C ILE A 129 -9.309 -8.750 -4.622 1.00 0.00 C ATOM 2035 O ILE A 129 -10.225 -7.935 -4.738 1.00 0.00 O ATOM 2036 CB ILE A 129 -8.120 -9.303 -2.498 1.00 0.00 C ATOM 2037 CG1 ILE A 129 -8.101 -10.200 -1.259 1.00 0.00 C ATOM 2038 CG2 ILE A 129 -8.260 -7.842 -2.098 1.00 0.00 C ATOM 2039 CD1 ILE A 129 -6.818 -10.106 -0.463 1.00 0.00 C ATOM 0 H ILE A 129 -8.468 -11.649 -3.337 1.00 0.00 H new ATOM 0 HA ILE A 129 -10.210 -9.660 -2.896 1.00 0.00 H new ATOM 0 HB ILE A 129 -7.175 -9.426 -3.027 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -8.939 -9.933 -0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -8.253 -11.234 -1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -7.442 -7.567 -1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -8.228 -7.216 -2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -9.210 -7.695 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -6.876 -10.769 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -5.978 -10.401 -1.091 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -6.675 -9.080 -0.124 1.00 0.00 H new ATOM 2051 N TYR A 130 -8.315 -8.852 -5.496 1.00 0.00 N ATOM 2052 CA TYR A 130 -8.238 -7.989 -6.669 1.00 0.00 C ATOM 2053 C TYR A 130 -9.426 -8.224 -7.597 1.00 0.00 C ATOM 2054 O TYR A 130 -10.193 -7.305 -7.887 1.00 0.00 O ATOM 2055 CB TYR A 130 -6.930 -8.235 -7.424 1.00 0.00 C ATOM 2056 CG TYR A 130 -6.837 -7.485 -8.733 1.00 0.00 C ATOM 2057 CD1 TYR A 130 -7.427 -7.985 -9.887 1.00 0.00 C ATOM 2058 CD2 TYR A 130 -6.158 -6.275 -8.816 1.00 0.00 C ATOM 2059 CE1 TYR A 130 -7.344 -7.303 -11.086 1.00 0.00 C ATOM 2060 CE2 TYR A 130 -6.071 -5.586 -10.010 1.00 0.00 C ATOM 2061 CZ TYR A 130 -6.666 -6.104 -11.143 1.00 0.00 C ATOM 2062 OH TYR A 130 -6.581 -5.421 -12.334 1.00 0.00 O ATOM 0 H TYR A 130 -7.551 -9.523 -5.415 1.00 0.00 H new ATOM 0 HA TYR A 130 -8.265 -6.954 -6.329 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.093 -7.945 -6.788 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -6.828 -9.303 -7.618 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -7.960 -8.923 -9.846 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -5.691 -5.867 -7.932 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -7.808 -7.707 -11.974 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -5.540 -4.647 -10.057 1.00 0.00 H new ATOM 0 HH TYR A 130 -6.071 -4.595 -12.202 1.00 0.00 H new ATOM 2072 N LEU A 131 -9.571 -9.461 -8.059 1.00 0.00 N ATOM 2073 CA LEU A 131 -10.666 -9.819 -8.954 1.00 0.00 C ATOM 2074 C LEU A 131 -12.011 -9.415 -8.358 1.00 0.00 C ATOM 2075 O LEU A 131 -12.995 -9.249 -9.079 1.00 0.00 O ATOM 2076 CB LEU A 131 -10.650 -11.324 -9.233 1.00 0.00 C ATOM 2077 CG LEU A 131 -9.380 -11.872 -9.882 1.00 0.00 C ATOM 2078 CD1 LEU A 131 -9.320 -13.386 -9.742 1.00 0.00 C ATOM 2079 CD2 LEU A 131 -9.312 -11.468 -11.348 1.00 0.00 C ATOM 0 H LEU A 131 -8.945 -10.232 -7.829 1.00 0.00 H new ATOM 0 HA LEU A 131 -10.529 -9.280 -9.891 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -10.809 -11.850 -8.291 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -11.496 -11.563 -9.878 1.00 0.00 H new ATOM 0 HG LEU A 131 -8.519 -11.445 -9.368 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -8.409 -13.759 -10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -9.321 -13.654 -8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -10.187 -13.831 -10.230 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -8.401 -11.867 -11.794 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -10.179 -11.866 -11.876 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -9.308 -10.381 -11.426 1.00 0.00 H new ATOM 2091 N ASP A 132 -12.045 -9.256 -7.040 1.00 0.00 N ATOM 2092 CA ASP A 132 -13.268 -8.868 -6.347 1.00 0.00 C ATOM 2093 C ASP A 132 -13.598 -7.402 -6.609 1.00 0.00 C ATOM 2094 O ASP A 132 -14.683 -7.075 -7.093 1.00 0.00 O ATOM 2095 CB ASP A 132 -13.129 -9.112 -4.844 1.00 0.00 C ATOM 2096 CG ASP A 132 -14.399 -8.788 -4.084 1.00 0.00 C ATOM 2097 OD1 ASP A 132 -15.249 -9.692 -3.936 1.00 0.00 O ATOM 2098 OD2 ASP A 132 -14.545 -7.632 -3.638 1.00 0.00 O ATOM 0 H ASP A 132 -11.239 -9.390 -6.429 1.00 0.00 H new ATOM 0 HA ASP A 132 -14.084 -9.480 -6.731 1.00 0.00 H new ATOM 0 HB2 ASP A 132 -12.862 -10.155 -4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 132 -12.312 -8.505 -4.455 1.00 0.00 H new ATOM 2103 N LEU A 133 -12.656 -6.522 -6.284 1.00 0.00 N ATOM 2104 CA LEU A 133 -12.848 -5.090 -6.482 1.00 0.00 C ATOM 2105 C LEU A 133 -13.670 -4.819 -7.738 1.00 0.00 C ATOM 2106 O LEU A 133 -14.667 -4.097 -7.695 1.00 0.00 O ATOM 2107 CB LEU A 133 -11.493 -4.384 -6.584 1.00 0.00 C ATOM 2108 CG LEU A 133 -10.831 -4.010 -5.258 1.00 0.00 C ATOM 2109 CD1 LEU A 133 -9.793 -5.051 -4.868 1.00 0.00 C ATOM 2110 CD2 LEU A 133 -10.197 -2.630 -5.349 1.00 0.00 C ATOM 0 H LEU A 133 -11.753 -6.775 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 133 -13.392 -4.699 -5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -10.811 -5.028 -7.139 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -11.622 -3.475 -7.172 1.00 0.00 H new ATOM 0 HG LEU A 133 -11.599 -3.985 -4.485 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.332 -4.768 -3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -10.275 -6.023 -4.761 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.027 -5.109 -5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -9.731 -2.380 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -9.441 -2.628 -6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -10.964 -1.892 -5.582 1.00 0.00 H new ATOM 2122 N MET A 134 -13.248 -5.403 -8.855 1.00 0.00 N ATOM 2123 CA MET A 134 -13.948 -5.227 -10.121 1.00 0.00 C ATOM 2124 C MET A 134 -15.034 -6.285 -10.294 1.00 0.00 C ATOM 2125 O MET A 134 -16.081 -6.023 -10.885 1.00 0.00 O ATOM 2126 CB MET A 134 -12.961 -5.297 -11.288 1.00 0.00 C ATOM 2127 CG MET A 134 -12.299 -6.657 -11.444 1.00 0.00 C ATOM 2128 SD MET A 134 -10.761 -6.791 -10.512 1.00 0.00 S ATOM 2129 CE MET A 134 -9.801 -5.471 -11.251 1.00 0.00 C ATOM 0 H MET A 134 -12.424 -6.002 -8.908 1.00 0.00 H new ATOM 0 HA MET A 134 -14.421 -4.245 -10.113 1.00 0.00 H new ATOM 0 HB2 MET A 134 -13.485 -5.049 -12.211 1.00 0.00 H new ATOM 0 HB3 MET A 134 -12.189 -4.541 -11.146 1.00 0.00 H new ATOM 0 HG2 MET A 134 -12.989 -7.433 -11.113 1.00 0.00 H new ATOM 0 HG3 MET A 134 -12.097 -6.840 -12.499 1.00 0.00 H new ATOM 0 HE1 MET A 134 -9.072 -5.103 -10.529 1.00 0.00 H new ATOM 0 HE2 MET A 134 -9.281 -5.848 -12.132 1.00 0.00 H new ATOM 0 HE3 MET A 134 -10.465 -4.657 -11.542 1.00 0.00 H new ATOM 2139 N SER A 135 -14.776 -7.481 -9.775 1.00 0.00 N ATOM 2140 CA SER A 135 -15.729 -8.579 -9.876 1.00 0.00 C ATOM 2141 C SER A 135 -15.948 -8.977 -11.333 1.00 0.00 C ATOM 2142 O SER A 135 -17.082 -9.160 -11.774 1.00 0.00 O ATOM 2143 CB SER A 135 -17.062 -8.186 -9.236 1.00 0.00 C ATOM 2144 OG SER A 135 -17.918 -9.308 -9.109 1.00 0.00 O ATOM 0 H SER A 135 -13.915 -7.714 -9.280 1.00 0.00 H new ATOM 0 HA SER A 135 -15.317 -9.435 -9.342 1.00 0.00 H new ATOM 0 HB2 SER A 135 -16.882 -7.749 -8.254 1.00 0.00 H new ATOM 0 HB3 SER A 135 -17.548 -7.421 -9.841 1.00 0.00 H new ATOM 0 HG SER A 135 -18.110 -9.675 -9.997 1.00 0.00 H new ATOM 2150 N GLY A 136 -14.853 -9.108 -12.075 1.00 0.00 N ATOM 2151 CA GLY A 136 -14.946 -9.483 -13.474 1.00 0.00 C ATOM 2152 C GLY A 136 -13.880 -10.482 -13.878 1.00 0.00 C ATOM 2153 O GLY A 136 -12.780 -10.505 -13.328 1.00 0.00 O ATOM 0 H GLY A 136 -13.903 -8.961 -11.733 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -15.931 -9.908 -13.668 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -14.856 -8.590 -14.093 1.00 0.00 H new ATOM 2157 N PRO A 137 -14.206 -11.335 -14.861 1.00 0.00 N ATOM 2158 CA PRO A 137 -13.283 -12.358 -15.360 1.00 0.00 C ATOM 2159 C PRO A 137 -12.115 -11.758 -16.134 1.00 0.00 C ATOM 2160 O PRO A 137 -12.311 -10.976 -17.065 1.00 0.00 O ATOM 2161 CB PRO A 137 -14.159 -13.207 -16.285 1.00 0.00 C ATOM 2162 CG PRO A 137 -15.248 -12.289 -16.721 1.00 0.00 C ATOM 2163 CD PRO A 137 -15.501 -11.366 -15.562 1.00 0.00 C ATOM 0 HA PRO A 137 -12.825 -12.923 -14.548 1.00 0.00 H new ATOM 0 HB2 PRO A 137 -13.590 -13.580 -17.137 1.00 0.00 H new ATOM 0 HB3 PRO A 137 -14.559 -14.077 -15.764 1.00 0.00 H new ATOM 0 HG2 PRO A 137 -14.954 -11.729 -17.609 1.00 0.00 H new ATOM 0 HG3 PRO A 137 -16.148 -12.847 -16.979 1.00 0.00 H new ATOM 0 HD2 PRO A 137 -15.800 -10.373 -15.897 1.00 0.00 H new ATOM 0 HD3 PRO A 137 -16.298 -11.739 -14.918 1.00 0.00 H new ATOM 2171 N SER A 138 -10.899 -12.129 -15.747 1.00 0.00 N ATOM 2172 CA SER A 138 -9.700 -11.624 -16.403 1.00 0.00 C ATOM 2173 C SER A 138 -9.150 -12.647 -17.393 1.00 0.00 C ATOM 2174 O SER A 138 -8.950 -13.813 -17.050 1.00 0.00 O ATOM 2175 CB SER A 138 -8.631 -11.276 -15.364 1.00 0.00 C ATOM 2176 OG SER A 138 -8.291 -12.410 -14.584 1.00 0.00 O ATOM 0 H SER A 138 -10.719 -12.778 -14.981 1.00 0.00 H new ATOM 0 HA SER A 138 -9.969 -10.722 -16.952 1.00 0.00 H new ATOM 0 HB2 SER A 138 -7.741 -10.896 -15.866 1.00 0.00 H new ATOM 0 HB3 SER A 138 -8.996 -10.480 -14.715 1.00 0.00 H new ATOM 0 HG SER A 138 -8.349 -13.217 -15.137 1.00 0.00 H new ATOM 2182 N SER A 139 -8.908 -12.202 -18.622 1.00 0.00 N ATOM 2183 CA SER A 139 -8.385 -13.079 -19.663 1.00 0.00 C ATOM 2184 C SER A 139 -6.910 -12.792 -19.924 1.00 0.00 C ATOM 2185 O SER A 139 -6.463 -11.648 -19.839 1.00 0.00 O ATOM 2186 CB SER A 139 -9.186 -12.907 -20.954 1.00 0.00 C ATOM 2187 OG SER A 139 -10.573 -13.089 -20.723 1.00 0.00 O ATOM 0 H SER A 139 -9.066 -11.240 -18.921 1.00 0.00 H new ATOM 0 HA SER A 139 -8.482 -14.109 -19.319 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.010 -11.913 -21.365 1.00 0.00 H new ATOM 0 HB3 SER A 139 -8.841 -13.625 -21.698 1.00 0.00 H new ATOM 0 HG SER A 139 -11.063 -12.972 -21.564 1.00 0.00 H new ATOM 2193 N GLY A 140 -6.156 -13.841 -20.243 1.00 0.00 N ATOM 2194 CA GLY A 140 -4.739 -13.681 -20.512 1.00 0.00 C ATOM 2195 C GLY A 140 -4.474 -13.034 -21.856 1.00 0.00 C ATOM 2196 O GLY A 140 -4.411 -13.716 -22.879 1.00 0.00 O ATOM 0 H GLY A 140 -6.502 -14.798 -20.320 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -4.289 -13.075 -19.725 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -4.254 -14.656 -20.480 1.00 0.00 H new TER 2200 GLY A 140