USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 757 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 56 MET CE :methyl -160:sc= -0.968 (180deg=-0.25) USER MOD Set 1.2: A 85 GLN : amide:sc= -0.292 K(o=-1.3,f=-3.8!) USER MOD Set 2.1: A 35 SER OG : rot 23:sc= 1.24 USER MOD Set 2.2: A 38 HIS : no HD1:sc= -1.83! K(o=-0.6!,f=-4.8) USER MOD Set 3.1: A 2 SER OG : rot -127:sc= 0.306 USER MOD Set 3.2: A 5 SER OG : rot 3:sc= 0.73 USER MOD Single : A 1 GLY N :NH3+ 134:sc= 0.0217 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00833) USER MOD Single : A 14 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.006) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.231 F(o=-2.2,f=-0.23) USER MOD Single : A 25 SER OG : rot 180:sc=-0.00195 USER MOD Single : A 27 THR OG1 : rot -170:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -113:sc= -0.863 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0125) USER MOD Single : A 47 GLN : amide:sc= -0.168 K(o=-0.17,f=-0.99) USER MOD Single : A 48 ASN : amide:sc= -0.0849 X(o=-0.085,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -74:sc= 1.1 USER MOD Single : A 54 GLN : amide:sc= -0.0624 X(o=-0.062,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc=-0.00682 X(o=-0.0068,f=-0.25) USER MOD Single : A 64 THR OG1 : rot 130:sc= -0.72 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0347 K(o=-0.035,f=-1.9!) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.647 K(o=-0.65,f=-1.2) USER MOD Single : A 97 SER OG : rot 180:sc= -0.144 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.182 35.516 -2.824 1.00 0.00 N ATOM 2 CA GLY A 1 -9.303 34.544 -1.753 1.00 0.00 C ATOM 3 C GLY A 1 -9.844 35.152 -0.475 1.00 0.00 C ATOM 4 O GLY A 1 -9.600 36.324 -0.184 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.256 35.411 -3.285 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.937 35.359 -3.522 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.267 36.476 -2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.960 33.735 -2.073 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.326 34.102 -1.556 1.00 0.00 H new ATOM 8 N SER A 2 -10.586 34.357 0.291 1.00 0.00 N ATOM 9 CA SER A 2 -11.168 34.826 1.542 1.00 0.00 C ATOM 10 C SER A 2 -10.232 34.550 2.715 1.00 0.00 C ATOM 11 O SER A 2 -9.555 33.522 2.754 1.00 0.00 O ATOM 12 CB SER A 2 -12.520 34.151 1.784 1.00 0.00 C ATOM 13 OG SER A 2 -13.328 34.924 2.655 1.00 0.00 O ATOM 0 H SER A 2 -10.798 33.385 0.066 1.00 0.00 H new ATOM 0 HA SER A 2 -11.316 35.903 1.464 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.035 34.011 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.364 33.160 2.211 1.00 0.00 H new ATOM 0 HG SER A 2 -13.643 34.362 3.394 1.00 0.00 H new ATOM 19 N SER A 3 -10.198 35.476 3.668 1.00 0.00 N ATOM 20 CA SER A 3 -9.342 35.336 4.840 1.00 0.00 C ATOM 21 C SER A 3 -10.175 35.069 6.091 1.00 0.00 C ATOM 22 O SER A 3 -10.739 35.989 6.682 1.00 0.00 O ATOM 23 CB SER A 3 -8.498 36.597 5.034 1.00 0.00 C ATOM 24 OG SER A 3 -7.675 36.488 6.183 1.00 0.00 O ATOM 0 H SER A 3 -10.753 36.331 3.651 1.00 0.00 H new ATOM 0 HA SER A 3 -8.679 34.486 4.677 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.878 36.762 4.153 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.151 37.464 5.132 1.00 0.00 H new ATOM 0 HG SER A 3 -7.144 37.306 6.284 1.00 0.00 H new ATOM 30 N GLY A 4 -10.244 33.803 6.489 1.00 0.00 N ATOM 31 CA GLY A 4 -11.008 33.436 7.667 1.00 0.00 C ATOM 32 C GLY A 4 -12.464 33.159 7.350 1.00 0.00 C ATOM 33 O GLY A 4 -13.326 34.011 7.565 1.00 0.00 O ATOM 0 H GLY A 4 -9.784 33.024 6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.564 32.551 8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.946 34.239 8.402 1.00 0.00 H new ATOM 37 N SER A 5 -12.740 31.965 6.835 1.00 0.00 N ATOM 38 CA SER A 5 -14.102 31.580 6.484 1.00 0.00 C ATOM 39 C SER A 5 -14.259 30.063 6.501 1.00 0.00 C ATOM 40 O SER A 5 -13.452 29.337 5.921 1.00 0.00 O ATOM 41 CB SER A 5 -14.466 32.126 5.102 1.00 0.00 C ATOM 42 OG SER A 5 -14.518 33.542 5.110 1.00 0.00 O ATOM 0 H SER A 5 -12.038 31.248 6.652 1.00 0.00 H new ATOM 0 HA SER A 5 -14.778 32.006 7.226 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.731 31.790 4.370 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.431 31.725 4.792 1.00 0.00 H new ATOM 0 HG SER A 5 -14.258 33.874 5.995 1.00 0.00 H new ATOM 48 N SER A 6 -15.305 29.590 7.172 1.00 0.00 N ATOM 49 CA SER A 6 -15.567 28.160 7.270 1.00 0.00 C ATOM 50 C SER A 6 -16.652 27.737 6.284 1.00 0.00 C ATOM 51 O SER A 6 -17.834 28.007 6.492 1.00 0.00 O ATOM 52 CB SER A 6 -15.988 27.793 8.695 1.00 0.00 C ATOM 53 OG SER A 6 -15.872 26.398 8.918 1.00 0.00 O ATOM 0 H SER A 6 -15.984 30.177 7.656 1.00 0.00 H new ATOM 0 HA SER A 6 -14.647 27.630 7.022 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.367 28.332 9.411 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.018 28.107 8.866 1.00 0.00 H new ATOM 0 HG SER A 6 -16.145 26.190 9.836 1.00 0.00 H new ATOM 59 N GLY A 7 -16.240 27.074 5.208 1.00 0.00 N ATOM 60 CA GLY A 7 -17.187 26.625 4.205 1.00 0.00 C ATOM 61 C GLY A 7 -16.504 26.045 2.981 1.00 0.00 C ATOM 62 O GLY A 7 -16.460 26.679 1.928 1.00 0.00 O ATOM 0 H GLY A 7 -15.267 26.840 5.013 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.844 25.873 4.641 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.817 27.462 3.904 1.00 0.00 H new ATOM 66 N GLU A 8 -15.970 24.836 3.122 1.00 0.00 N ATOM 67 CA GLU A 8 -15.284 24.171 2.019 1.00 0.00 C ATOM 68 C GLU A 8 -15.994 22.876 1.638 1.00 0.00 C ATOM 69 O GLU A 8 -15.596 21.780 2.034 1.00 0.00 O ATOM 70 CB GLU A 8 -13.830 23.877 2.397 1.00 0.00 C ATOM 71 CG GLU A 8 -13.068 23.109 1.330 1.00 0.00 C ATOM 72 CD GLU A 8 -12.594 23.998 0.198 1.00 0.00 C ATOM 73 OE1 GLU A 8 -13.401 24.278 -0.714 1.00 0.00 O ATOM 74 OE2 GLU A 8 -11.417 24.415 0.222 1.00 0.00 O ATOM 0 H GLU A 8 -15.999 24.297 3.988 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.300 24.840 1.159 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.316 24.818 2.592 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.813 23.306 3.326 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.208 22.618 1.786 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.707 22.324 0.927 1.00 0.00 H new ATOM 81 N PRO A 9 -17.073 23.003 0.852 1.00 0.00 N ATOM 82 CA PRO A 9 -17.862 21.854 0.399 1.00 0.00 C ATOM 83 C PRO A 9 -17.108 20.993 -0.608 1.00 0.00 C ATOM 84 O PRO A 9 -15.981 21.308 -0.986 1.00 0.00 O ATOM 85 CB PRO A 9 -19.085 22.499 -0.258 1.00 0.00 C ATOM 86 CG PRO A 9 -18.617 23.848 -0.683 1.00 0.00 C ATOM 87 CD PRO A 9 -17.606 24.278 0.343 1.00 0.00 C ATOM 0 HA PRO A 9 -18.108 21.180 1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -19.432 21.914 -1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -19.919 22.571 0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -18.172 23.811 -1.677 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -19.448 24.552 -0.731 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.822 24.894 -0.099 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -18.065 24.867 1.137 1.00 0.00 H new ATOM 95 N GLU A 10 -17.738 19.904 -1.039 1.00 0.00 N ATOM 96 CA GLU A 10 -17.125 18.998 -2.002 1.00 0.00 C ATOM 97 C GLU A 10 -18.187 18.308 -2.853 1.00 0.00 C ATOM 98 O GLU A 10 -18.935 17.459 -2.366 1.00 0.00 O ATOM 99 CB GLU A 10 -16.273 17.951 -1.281 1.00 0.00 C ATOM 100 CG GLU A 10 -15.433 17.100 -2.217 1.00 0.00 C ATOM 101 CD GLU A 10 -16.195 15.909 -2.766 1.00 0.00 C ATOM 102 OE1 GLU A 10 -16.800 15.170 -1.962 1.00 0.00 O ATOM 103 OE2 GLU A 10 -16.186 15.718 -4.000 1.00 0.00 O ATOM 0 H GLU A 10 -18.672 19.629 -0.736 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.485 19.587 -2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.615 18.455 -0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.927 17.300 -0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -15.083 17.716 -3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.549 16.747 -1.686 1.00 0.00 H new ATOM 110 N LYS A 11 -18.249 18.679 -4.127 1.00 0.00 N ATOM 111 CA LYS A 11 -19.218 18.096 -5.049 1.00 0.00 C ATOM 112 C LYS A 11 -18.558 17.739 -6.377 1.00 0.00 C ATOM 113 O LYS A 11 -18.016 18.604 -7.065 1.00 0.00 O ATOM 114 CB LYS A 11 -20.374 19.070 -5.286 1.00 0.00 C ATOM 115 CG LYS A 11 -21.275 19.251 -4.077 1.00 0.00 C ATOM 116 CD LYS A 11 -20.777 20.365 -3.172 1.00 0.00 C ATOM 117 CE LYS A 11 -21.844 20.794 -2.176 1.00 0.00 C ATOM 118 NZ LYS A 11 -22.879 21.658 -2.810 1.00 0.00 N ATOM 0 H LYS A 11 -17.639 19.381 -4.546 1.00 0.00 H new ATOM 0 HA LYS A 11 -19.607 17.182 -4.600 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -19.968 20.040 -5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -20.972 18.713 -6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -22.289 19.476 -4.408 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -21.323 18.318 -3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -19.890 20.029 -2.635 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -20.478 21.221 -3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -22.320 19.911 -1.750 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -21.376 21.333 -1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -23.550 21.985 -2.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -22.421 22.480 -3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -23.390 21.114 -3.534 1.00 0.00 H new ATOM 132 N LEU A 12 -18.612 16.460 -6.733 1.00 0.00 N ATOM 133 CA LEU A 12 -18.022 15.988 -7.980 1.00 0.00 C ATOM 134 C LEU A 12 -18.710 16.625 -9.183 1.00 0.00 C ATOM 135 O LEU A 12 -19.777 17.223 -9.057 1.00 0.00 O ATOM 136 CB LEU A 12 -18.121 14.464 -8.070 1.00 0.00 C ATOM 137 CG LEU A 12 -19.535 13.885 -8.120 1.00 0.00 C ATOM 138 CD1 LEU A 12 -20.056 13.871 -9.549 1.00 0.00 C ATOM 139 CD2 LEU A 12 -19.559 12.484 -7.528 1.00 0.00 C ATOM 0 H LEU A 12 -19.058 15.732 -6.175 1.00 0.00 H new ATOM 0 HA LEU A 12 -16.972 16.279 -7.989 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -17.584 14.137 -8.961 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -17.604 14.035 -7.211 1.00 0.00 H new ATOM 0 HG LEU A 12 -20.189 14.521 -7.523 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -21.064 13.456 -9.565 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -20.077 14.889 -9.939 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -19.401 13.259 -10.169 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -20.573 12.088 -7.572 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -18.892 11.837 -8.097 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -19.229 12.522 -6.490 1.00 0.00 H new ATOM 151 N GLY A 13 -18.091 16.490 -10.353 1.00 0.00 N ATOM 152 CA GLY A 13 -18.660 17.056 -11.563 1.00 0.00 C ATOM 153 C GLY A 13 -17.802 18.163 -12.143 1.00 0.00 C ATOM 154 O GLY A 13 -16.977 17.921 -13.023 1.00 0.00 O ATOM 0 H GLY A 13 -17.207 15.999 -10.484 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.783 16.268 -12.306 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.654 17.447 -11.345 1.00 0.00 H new ATOM 158 N GLN A 14 -17.998 19.382 -11.649 1.00 0.00 N ATOM 159 CA GLN A 14 -17.237 20.530 -12.127 1.00 0.00 C ATOM 160 C GLN A 14 -16.954 21.506 -10.990 1.00 0.00 C ATOM 161 O GLN A 14 -17.871 21.964 -10.309 1.00 0.00 O ATOM 162 CB GLN A 14 -17.998 21.242 -13.248 1.00 0.00 C ATOM 163 CG GLN A 14 -18.103 20.424 -14.526 1.00 0.00 C ATOM 164 CD GLN A 14 -18.498 21.264 -15.725 1.00 0.00 C ATOM 165 OE1 GLN A 14 -19.485 20.975 -16.403 1.00 0.00 O ATOM 166 NE2 GLN A 14 -17.727 22.311 -15.994 1.00 0.00 N ATOM 0 H GLN A 14 -18.676 19.599 -10.919 1.00 0.00 H new ATOM 0 HA GLN A 14 -16.286 20.167 -12.516 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -19.001 21.484 -12.898 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -17.501 22.186 -13.470 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.146 19.942 -14.724 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -18.837 19.630 -14.386 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.919 22.514 -15.406 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.943 22.913 -16.789 1.00 0.00 H new ATOM 175 N ALA A 15 -15.679 21.821 -10.792 1.00 0.00 N ATOM 176 CA ALA A 15 -15.274 22.744 -9.738 1.00 0.00 C ATOM 177 C ALA A 15 -15.216 24.177 -10.257 1.00 0.00 C ATOM 178 O ALA A 15 -14.443 24.490 -11.163 1.00 0.00 O ATOM 179 CB ALA A 15 -13.926 22.333 -9.165 1.00 0.00 C ATOM 0 H ALA A 15 -14.908 21.451 -11.348 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.021 22.702 -8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -13.636 23.031 -8.379 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.999 21.328 -8.749 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.176 22.345 -9.956 1.00 0.00 H new ATOM 185 N LEU A 16 -16.039 25.043 -9.677 1.00 0.00 N ATOM 186 CA LEU A 16 -16.082 26.445 -10.081 1.00 0.00 C ATOM 187 C LEU A 16 -15.080 27.273 -9.283 1.00 0.00 C ATOM 188 O LEU A 16 -15.373 28.397 -8.873 1.00 0.00 O ATOM 189 CB LEU A 16 -17.492 27.008 -9.891 1.00 0.00 C ATOM 190 CG LEU A 16 -18.608 26.294 -10.653 1.00 0.00 C ATOM 191 CD1 LEU A 16 -19.131 25.112 -9.852 1.00 0.00 C ATOM 192 CD2 LEU A 16 -19.736 27.262 -10.978 1.00 0.00 C ATOM 0 H LEU A 16 -16.685 24.800 -8.926 1.00 0.00 H new ATOM 0 HA LEU A 16 -15.814 26.502 -11.136 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.731 26.983 -8.828 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -17.487 28.056 -10.192 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.198 25.918 -11.590 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -19.925 24.616 -10.411 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -18.319 24.407 -9.672 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -19.524 25.464 -8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -20.522 26.736 -11.521 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -20.144 27.669 -10.053 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -19.352 28.075 -11.594 1.00 0.00 H new ATOM 204 N THR A 17 -13.894 26.711 -9.068 1.00 0.00 N ATOM 205 CA THR A 17 -12.848 27.398 -8.320 1.00 0.00 C ATOM 206 C THR A 17 -11.534 27.405 -9.093 1.00 0.00 C ATOM 207 O THR A 17 -11.331 26.593 -9.996 1.00 0.00 O ATOM 208 CB THR A 17 -12.618 26.741 -6.945 1.00 0.00 C ATOM 209 OG1 THR A 17 -12.325 25.350 -7.109 1.00 0.00 O ATOM 210 CG2 THR A 17 -13.840 26.907 -6.055 1.00 0.00 C ATOM 0 H THR A 17 -13.634 25.783 -9.401 1.00 0.00 H new ATOM 0 HA THR A 17 -13.185 28.424 -8.173 1.00 0.00 H new ATOM 0 HB THR A 17 -11.772 27.235 -6.468 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.179 24.941 -6.231 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.654 26.435 -5.090 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.041 27.968 -5.908 1.00 0.00 H new ATOM 0 HG23 THR A 17 -14.702 26.437 -6.529 1.00 0.00 H new ATOM 218 N GLU A 18 -10.646 28.326 -8.735 1.00 0.00 N ATOM 219 CA GLU A 18 -9.352 28.437 -9.396 1.00 0.00 C ATOM 220 C GLU A 18 -8.212 28.254 -8.397 1.00 0.00 C ATOM 221 O GLU A 18 -7.228 28.993 -8.418 1.00 0.00 O ATOM 222 CB GLU A 18 -9.223 29.796 -10.089 1.00 0.00 C ATOM 223 CG GLU A 18 -9.291 30.975 -9.132 1.00 0.00 C ATOM 224 CD GLU A 18 -9.153 32.309 -9.841 1.00 0.00 C ATOM 225 OE1 GLU A 18 -10.158 32.784 -10.411 1.00 0.00 O ATOM 226 OE2 GLU A 18 -8.042 32.878 -9.825 1.00 0.00 O ATOM 0 H GLU A 18 -10.799 29.006 -7.991 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.287 27.647 -10.144 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.277 29.831 -10.629 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -10.017 29.894 -10.830 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.240 30.949 -8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.501 30.880 -8.387 1.00 0.00 H new ATOM 233 N VAL A 19 -8.354 27.262 -7.523 1.00 0.00 N ATOM 234 CA VAL A 19 -7.338 26.980 -6.517 1.00 0.00 C ATOM 235 C VAL A 19 -6.741 25.591 -6.713 1.00 0.00 C ATOM 236 O VAL A 19 -7.391 24.695 -7.251 1.00 0.00 O ATOM 237 CB VAL A 19 -7.915 27.082 -5.092 1.00 0.00 C ATOM 238 CG1 VAL A 19 -7.925 28.530 -4.623 1.00 0.00 C ATOM 239 CG2 VAL A 19 -9.313 26.485 -5.040 1.00 0.00 C ATOM 0 H VAL A 19 -9.163 26.641 -7.492 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.556 27.729 -6.639 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.277 26.511 -4.417 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -8.336 28.583 -3.615 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -6.907 28.919 -4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.540 29.127 -5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.705 26.565 -4.026 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.965 27.026 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.271 25.435 -5.331 1.00 0.00 H new ATOM 249 N TYR A 20 -5.500 25.418 -6.271 1.00 0.00 N ATOM 250 CA TYR A 20 -4.814 24.138 -6.400 1.00 0.00 C ATOM 251 C TYR A 20 -4.981 23.302 -5.135 1.00 0.00 C ATOM 252 O TYR A 20 -4.631 22.122 -5.107 1.00 0.00 O ATOM 253 CB TYR A 20 -3.327 24.359 -6.687 1.00 0.00 C ATOM 254 CG TYR A 20 -2.773 25.624 -6.071 1.00 0.00 C ATOM 255 CD1 TYR A 20 -2.967 25.906 -4.724 1.00 0.00 C ATOM 256 CD2 TYR A 20 -2.059 26.537 -6.835 1.00 0.00 C ATOM 257 CE1 TYR A 20 -2.463 27.061 -4.157 1.00 0.00 C ATOM 258 CE2 TYR A 20 -1.550 27.692 -6.277 1.00 0.00 C ATOM 259 CZ TYR A 20 -1.754 27.951 -4.937 1.00 0.00 C ATOM 260 OH TYR A 20 -1.251 29.102 -4.377 1.00 0.00 O ATOM 0 H TYR A 20 -4.949 26.148 -5.820 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.261 23.596 -7.234 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.762 23.505 -6.313 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -3.175 24.393 -7.766 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.521 25.211 -4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.899 26.340 -7.885 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.623 27.266 -3.109 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.995 28.390 -6.886 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.777 29.619 -5.062 1.00 0.00 H new ATOM 270 N ALA A 21 -5.520 23.921 -4.090 1.00 0.00 N ATOM 271 CA ALA A 21 -5.736 23.234 -2.823 1.00 0.00 C ATOM 272 C ALA A 21 -4.637 22.211 -2.559 1.00 0.00 C ATOM 273 O ALA A 21 -4.887 21.150 -1.984 1.00 0.00 O ATOM 274 CB ALA A 21 -7.101 22.561 -2.815 1.00 0.00 C ATOM 0 H ALA A 21 -5.815 24.897 -4.096 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.704 23.976 -2.025 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.250 22.051 -1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.878 23.313 -2.949 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.154 21.836 -3.627 1.00 0.00 H new ATOM 280 N LYS A 22 -3.420 22.534 -2.981 1.00 0.00 N ATOM 281 CA LYS A 22 -2.282 21.643 -2.790 1.00 0.00 C ATOM 282 C LYS A 22 -1.326 22.199 -1.738 1.00 0.00 C ATOM 283 O LYS A 22 -1.080 23.404 -1.686 1.00 0.00 O ATOM 284 CB LYS A 22 -1.538 21.440 -4.112 1.00 0.00 C ATOM 285 CG LYS A 22 -0.702 22.637 -4.530 1.00 0.00 C ATOM 286 CD LYS A 22 0.132 22.331 -5.764 1.00 0.00 C ATOM 287 CE LYS A 22 1.038 23.498 -6.127 1.00 0.00 C ATOM 288 NZ LYS A 22 2.282 23.508 -5.309 1.00 0.00 N ATOM 0 H LYS A 22 -3.196 23.407 -3.458 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.660 20.682 -2.442 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.890 20.568 -4.024 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.262 21.221 -4.897 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.355 23.486 -4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.046 22.928 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.736 21.442 -5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.526 22.105 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.298 23.441 -7.184 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.500 24.435 -5.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.873 24.318 -5.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.035 23.588 -4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.808 22.625 -5.467 1.00 0.00 H new ATOM 302 N ALA A 23 -0.791 21.314 -0.905 1.00 0.00 N ATOM 303 CA ALA A 23 0.140 21.716 0.142 1.00 0.00 C ATOM 304 C ALA A 23 1.018 20.547 0.576 1.00 0.00 C ATOM 305 O ALA A 23 0.647 19.385 0.409 1.00 0.00 O ATOM 306 CB ALA A 23 -0.619 22.280 1.335 1.00 0.00 C ATOM 0 H ALA A 23 -0.986 20.313 -0.934 1.00 0.00 H new ATOM 0 HA ALA A 23 0.789 22.493 -0.263 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.089 22.576 2.109 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.198 23.149 1.021 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.292 21.519 1.730 1.00 0.00 H new ATOM 312 N ASN A 24 2.182 20.862 1.133 1.00 0.00 N ATOM 313 CA ASN A 24 3.113 19.836 1.589 1.00 0.00 C ATOM 314 C ASN A 24 3.538 20.091 3.033 1.00 0.00 C ATOM 315 O ASN A 24 4.713 19.965 3.376 1.00 0.00 O ATOM 316 CB ASN A 24 4.345 19.797 0.683 1.00 0.00 C ATOM 317 CG ASN A 24 4.075 19.085 -0.629 1.00 0.00 C ATOM 318 OD1 ASN A 24 3.679 17.821 -0.546 1.00 0.00 O flip ATOM 319 ND2 ASN A 24 4.221 19.666 -1.705 1.00 0.00 N flip ATOM 0 H ASN A 24 2.503 21.819 1.280 1.00 0.00 H new ATOM 0 HA ASN A 24 2.605 18.873 1.542 1.00 0.00 H new ATOM 0 HB2 ASN A 24 4.675 20.816 0.479 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.160 19.296 1.204 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.527 20.639 -1.722 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.036 19.174 -2.579 1.00 0.00 H new ATOM 326 N SER A 25 2.573 20.448 3.874 1.00 0.00 N ATOM 327 CA SER A 25 2.847 20.723 5.279 1.00 0.00 C ATOM 328 C SER A 25 3.015 19.426 6.064 1.00 0.00 C ATOM 329 O SER A 25 4.080 19.157 6.621 1.00 0.00 O ATOM 330 CB SER A 25 1.717 21.558 5.887 1.00 0.00 C ATOM 331 OG SER A 25 0.453 20.973 5.623 1.00 0.00 O ATOM 0 H SER A 25 1.594 20.554 3.607 1.00 0.00 H new ATOM 0 HA SER A 25 3.778 21.286 5.338 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.863 21.645 6.964 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.746 22.568 5.479 1.00 0.00 H new ATOM 0 HG SER A 25 -0.252 21.524 6.023 1.00 0.00 H new ATOM 337 N PHE A 26 1.955 18.624 6.104 1.00 0.00 N ATOM 338 CA PHE A 26 1.984 17.355 6.820 1.00 0.00 C ATOM 339 C PHE A 26 0.713 16.553 6.558 1.00 0.00 C ATOM 340 O PHE A 26 -0.393 17.002 6.863 1.00 0.00 O ATOM 341 CB PHE A 26 2.147 17.596 8.323 1.00 0.00 C ATOM 342 CG PHE A 26 2.544 16.367 9.088 1.00 0.00 C ATOM 343 CD1 PHE A 26 3.584 15.565 8.645 1.00 0.00 C ATOM 344 CD2 PHE A 26 1.880 16.013 10.252 1.00 0.00 C ATOM 345 CE1 PHE A 26 3.951 14.433 9.347 1.00 0.00 C ATOM 346 CE2 PHE A 26 2.244 14.883 10.958 1.00 0.00 C ATOM 347 CZ PHE A 26 3.281 14.092 10.506 1.00 0.00 C ATOM 0 H PHE A 26 1.066 18.831 5.649 1.00 0.00 H new ATOM 0 HA PHE A 26 2.836 16.781 6.456 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.899 18.370 8.479 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.209 17.977 8.725 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.113 15.828 7.741 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.068 16.628 10.611 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.761 13.815 8.990 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.718 14.618 11.863 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.568 13.209 11.057 1.00 0.00 H new ATOM 357 N THR A 27 0.877 15.363 5.989 1.00 0.00 N ATOM 358 CA THR A 27 -0.256 14.499 5.683 1.00 0.00 C ATOM 359 C THR A 27 -0.014 13.079 6.181 1.00 0.00 C ATOM 360 O THR A 27 1.041 12.494 5.933 1.00 0.00 O ATOM 361 CB THR A 27 -0.540 14.459 4.170 1.00 0.00 C ATOM 362 OG1 THR A 27 -1.172 15.676 3.758 1.00 0.00 O ATOM 363 CG2 THR A 27 -1.428 13.276 3.817 1.00 0.00 C ATOM 0 H THR A 27 1.784 14.975 5.731 1.00 0.00 H new ATOM 0 HA THR A 27 -1.121 14.919 6.196 1.00 0.00 H new ATOM 0 HB THR A 27 0.410 14.348 3.647 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.491 15.583 2.836 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.615 13.269 2.743 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.931 12.349 4.105 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.375 13.361 4.349 1.00 0.00 H new ATOM 371 N VAL A 28 -0.998 12.527 6.884 1.00 0.00 N ATOM 372 CA VAL A 28 -0.893 11.174 7.415 1.00 0.00 C ATOM 373 C VAL A 28 -2.076 10.317 6.977 1.00 0.00 C ATOM 374 O VAL A 28 -3.214 10.559 7.380 1.00 0.00 O ATOM 375 CB VAL A 28 -0.819 11.179 8.954 1.00 0.00 C ATOM 376 CG1 VAL A 28 -0.766 9.756 9.491 1.00 0.00 C ATOM 377 CG2 VAL A 28 0.384 11.981 9.427 1.00 0.00 C ATOM 0 H VAL A 28 -1.877 12.997 7.099 1.00 0.00 H new ATOM 0 HA VAL A 28 0.027 10.748 7.015 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.720 11.655 9.342 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.714 9.780 10.580 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.662 9.217 9.182 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.116 9.251 9.097 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.421 11.974 10.516 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.297 11.536 9.030 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.298 13.009 9.074 1.00 0.00 H new ATOM 387 N SER A 29 -1.799 9.315 6.150 1.00 0.00 N ATOM 388 CA SER A 29 -2.841 8.423 5.653 1.00 0.00 C ATOM 389 C SER A 29 -2.449 6.963 5.857 1.00 0.00 C ATOM 390 O SER A 29 -1.274 6.643 6.032 1.00 0.00 O ATOM 391 CB SER A 29 -3.105 8.691 4.170 1.00 0.00 C ATOM 392 OG SER A 29 -4.448 8.389 3.830 1.00 0.00 O ATOM 0 H SER A 29 -0.862 9.100 5.809 1.00 0.00 H new ATOM 0 HA SER A 29 -3.753 8.618 6.218 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.895 9.736 3.943 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.428 8.090 3.562 1.00 0.00 H new ATOM 0 HG SER A 29 -4.593 8.570 2.878 1.00 0.00 H new ATOM 398 N SER A 30 -3.443 6.082 5.833 1.00 0.00 N ATOM 399 CA SER A 30 -3.205 4.655 6.018 1.00 0.00 C ATOM 400 C SER A 30 -3.576 3.874 4.761 1.00 0.00 C ATOM 401 O SER A 30 -4.389 4.325 3.954 1.00 0.00 O ATOM 402 CB SER A 30 -4.006 4.133 7.212 1.00 0.00 C ATOM 403 OG SER A 30 -4.166 2.727 7.143 1.00 0.00 O ATOM 0 H SER A 30 -4.421 6.331 5.687 1.00 0.00 H new ATOM 0 HA SER A 30 -2.142 4.512 6.212 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.498 4.399 8.139 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.984 4.613 7.235 1.00 0.00 H new ATOM 0 HG SER A 30 -5.111 2.512 6.999 1.00 0.00 H new ATOM 409 N VAL A 31 -2.974 2.700 4.602 1.00 0.00 N ATOM 410 CA VAL A 31 -3.242 1.853 3.445 1.00 0.00 C ATOM 411 C VAL A 31 -3.795 0.498 3.871 1.00 0.00 C ATOM 412 O VAL A 31 -3.145 -0.247 4.603 1.00 0.00 O ATOM 413 CB VAL A 31 -1.970 1.636 2.604 1.00 0.00 C ATOM 414 CG1 VAL A 31 -2.216 0.592 1.525 1.00 0.00 C ATOM 415 CG2 VAL A 31 -1.505 2.947 1.992 1.00 0.00 C ATOM 0 H VAL A 31 -2.297 2.313 5.260 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.986 2.370 2.839 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.181 1.268 3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.307 0.452 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.498 -0.353 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.020 0.928 0.870 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.605 2.774 1.401 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.289 3.347 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.286 3.662 2.785 1.00 0.00 H new ATOM 425 N ALA A 32 -5.000 0.184 3.407 1.00 0.00 N ATOM 426 CA ALA A 32 -5.640 -1.082 3.736 1.00 0.00 C ATOM 427 C ALA A 32 -4.782 -2.263 3.295 1.00 0.00 C ATOM 428 O ALA A 32 -4.726 -2.593 2.111 1.00 0.00 O ATOM 429 CB ALA A 32 -7.018 -1.160 3.096 1.00 0.00 C ATOM 0 H ALA A 32 -5.553 0.791 2.801 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.752 -1.133 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.484 -2.112 3.351 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.637 -0.342 3.465 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.921 -1.082 2.013 1.00 0.00 H new ATOM 435 N ALA A 33 -4.114 -2.894 4.255 1.00 0.00 N ATOM 436 CA ALA A 33 -3.260 -4.039 3.964 1.00 0.00 C ATOM 437 C ALA A 33 -3.396 -5.113 5.039 1.00 0.00 C ATOM 438 O ALA A 33 -3.541 -4.821 6.227 1.00 0.00 O ATOM 439 CB ALA A 33 -1.810 -3.597 3.839 1.00 0.00 C ATOM 0 H ALA A 33 -4.148 -2.632 5.240 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.581 -4.469 3.015 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.183 -4.462 3.622 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.719 -2.871 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.487 -3.141 4.775 1.00 0.00 H new ATOM 445 N PRO A 34 -3.350 -6.384 4.615 1.00 0.00 N ATOM 446 CA PRO A 34 -3.466 -7.527 5.526 1.00 0.00 C ATOM 447 C PRO A 34 -2.244 -7.678 6.426 1.00 0.00 C ATOM 448 O PRO A 34 -1.271 -6.935 6.297 1.00 0.00 O ATOM 449 CB PRO A 34 -3.585 -8.724 4.580 1.00 0.00 C ATOM 450 CG PRO A 34 -2.919 -8.282 3.323 1.00 0.00 C ATOM 451 CD PRO A 34 -3.179 -6.804 3.214 1.00 0.00 C ATOM 0 HA PRO A 34 -4.309 -7.420 6.208 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.099 -9.607 4.996 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.628 -8.987 4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.849 -8.489 3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.321 -8.814 2.461 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.348 -6.284 2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.069 -6.595 2.620 1.00 0.00 H new ATOM 459 N SER A 35 -2.300 -8.646 7.335 1.00 0.00 N ATOM 460 CA SER A 35 -1.199 -8.893 8.258 1.00 0.00 C ATOM 461 C SER A 35 -0.657 -10.309 8.091 1.00 0.00 C ATOM 462 O SER A 35 0.487 -10.594 8.447 1.00 0.00 O ATOM 463 CB SER A 35 -1.657 -8.677 9.702 1.00 0.00 C ATOM 464 OG SER A 35 -0.562 -8.740 10.599 1.00 0.00 O ATOM 0 H SER A 35 -3.097 -9.272 7.452 1.00 0.00 H new ATOM 0 HA SER A 35 -0.400 -8.188 8.028 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.148 -7.708 9.790 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.395 -9.433 9.970 1.00 0.00 H new ATOM 0 HG SER A 35 0.269 -8.548 10.115 1.00 0.00 H new ATOM 470 N TRP A 36 -1.486 -11.192 7.546 1.00 0.00 N ATOM 471 CA TRP A 36 -1.091 -12.580 7.332 1.00 0.00 C ATOM 472 C TRP A 36 0.096 -12.666 6.379 1.00 0.00 C ATOM 473 O TRP A 36 0.805 -13.673 6.345 1.00 0.00 O ATOM 474 CB TRP A 36 -2.266 -13.386 6.777 1.00 0.00 C ATOM 475 CG TRP A 36 -2.868 -12.786 5.542 1.00 0.00 C ATOM 476 CD1 TRP A 36 -3.846 -11.833 5.487 1.00 0.00 C ATOM 477 CD2 TRP A 36 -2.533 -13.098 4.186 1.00 0.00 C ATOM 478 NE1 TRP A 36 -4.138 -11.535 4.178 1.00 0.00 N ATOM 479 CE2 TRP A 36 -3.346 -12.297 3.360 1.00 0.00 C ATOM 480 CE3 TRP A 36 -1.624 -13.975 3.588 1.00 0.00 C ATOM 481 CZ2 TRP A 36 -3.277 -12.350 1.970 1.00 0.00 C ATOM 482 CZ3 TRP A 36 -1.557 -14.027 2.209 1.00 0.00 C ATOM 483 CH2 TRP A 36 -2.378 -13.218 1.413 1.00 0.00 C ATOM 0 H TRP A 36 -2.435 -10.972 7.244 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.793 -13.000 8.293 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -1.929 -14.398 6.553 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.036 -13.468 7.545 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.320 -11.381 6.346 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.832 -10.856 3.866 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.985 -14.601 4.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.910 -11.728 1.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.860 -14.703 1.737 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.300 -13.281 0.338 1.00 0.00 H new ATOM 494 N LEU A 37 0.308 -11.606 5.607 1.00 0.00 N ATOM 495 CA LEU A 37 1.411 -11.564 4.653 1.00 0.00 C ATOM 496 C LEU A 37 2.458 -10.538 5.077 1.00 0.00 C ATOM 497 O LEU A 37 3.278 -10.102 4.269 1.00 0.00 O ATOM 498 CB LEU A 37 0.889 -11.227 3.254 1.00 0.00 C ATOM 499 CG LEU A 37 -0.029 -10.008 3.156 1.00 0.00 C ATOM 500 CD1 LEU A 37 0.775 -8.723 3.274 1.00 0.00 C ATOM 501 CD2 LEU A 37 -0.809 -10.033 1.849 1.00 0.00 C ATOM 0 H LEU A 37 -0.269 -10.765 5.623 1.00 0.00 H new ATOM 0 HA LEU A 37 1.879 -12.548 4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.744 -11.066 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.351 -12.094 2.870 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.739 -10.044 3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.105 -7.866 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.289 -8.702 4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.509 -8.678 2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.457 -9.158 1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.113 -10.021 1.010 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.416 -10.938 1.804 1.00 0.00 H new ATOM 513 N HIS A 38 2.424 -10.157 6.350 1.00 0.00 N ATOM 514 CA HIS A 38 3.372 -9.186 6.883 1.00 0.00 C ATOM 515 C HIS A 38 4.797 -9.726 6.820 1.00 0.00 C ATOM 516 O HIS A 38 5.764 -8.964 6.874 1.00 0.00 O ATOM 517 CB HIS A 38 3.014 -8.830 8.326 1.00 0.00 C ATOM 518 CG HIS A 38 2.076 -7.667 8.441 1.00 0.00 C ATOM 519 ND1 HIS A 38 1.602 -7.198 9.648 1.00 0.00 N ATOM 520 CD2 HIS A 38 1.525 -6.876 7.489 1.00 0.00 C ATOM 521 CE1 HIS A 38 0.800 -6.171 9.434 1.00 0.00 C ATOM 522 NE2 HIS A 38 0.736 -5.954 8.133 1.00 0.00 N ATOM 0 H HIS A 38 1.750 -10.506 7.031 1.00 0.00 H new ATOM 0 HA HIS A 38 3.315 -8.287 6.270 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.563 -9.699 8.805 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.929 -8.604 8.874 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.678 -6.955 6.423 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.284 -5.604 10.195 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.190 -5.221 7.680 1.00 0.00 H new ATOM 530 N ARG A 39 4.921 -11.044 6.705 1.00 0.00 N ATOM 531 CA ARG A 39 6.229 -11.685 6.636 1.00 0.00 C ATOM 532 C ARG A 39 6.841 -11.526 5.248 1.00 0.00 C ATOM 533 O ARG A 39 8.051 -11.356 5.106 1.00 0.00 O ATOM 534 CB ARG A 39 6.110 -13.170 6.985 1.00 0.00 C ATOM 535 CG ARG A 39 7.193 -14.032 6.356 1.00 0.00 C ATOM 536 CD ARG A 39 8.562 -13.724 6.942 1.00 0.00 C ATOM 537 NE ARG A 39 9.644 -14.184 6.077 1.00 0.00 N ATOM 538 CZ ARG A 39 9.918 -15.466 5.861 1.00 0.00 C ATOM 539 NH1 ARG A 39 9.193 -16.410 6.444 1.00 0.00 N ATOM 540 NH2 ARG A 39 10.920 -15.806 5.059 1.00 0.00 N ATOM 0 H ARG A 39 4.132 -11.689 6.658 1.00 0.00 H new ATOM 0 HA ARG A 39 6.883 -11.198 7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.150 -13.284 8.068 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.135 -13.534 6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.958 -15.085 6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.212 -13.866 5.279 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.656 -12.649 7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.653 -14.198 7.919 1.00 0.00 H new ATOM 0 HE ARG A 39 10.221 -13.483 5.613 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.422 -16.153 7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.406 -17.393 6.276 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.480 -15.083 4.608 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.130 -16.790 4.894 1.00 0.00 H new ATOM 554 N PHE A 40 5.994 -11.582 4.224 1.00 0.00 N ATOM 555 CA PHE A 40 6.451 -11.447 2.846 1.00 0.00 C ATOM 556 C PHE A 40 6.557 -9.976 2.451 1.00 0.00 C ATOM 557 O PHE A 40 7.437 -9.591 1.681 1.00 0.00 O ATOM 558 CB PHE A 40 5.498 -12.174 1.895 1.00 0.00 C ATOM 559 CG PHE A 40 5.835 -13.625 1.703 1.00 0.00 C ATOM 560 CD1 PHE A 40 6.817 -14.008 0.803 1.00 0.00 C ATOM 561 CD2 PHE A 40 5.171 -14.606 2.421 1.00 0.00 C ATOM 562 CE1 PHE A 40 7.129 -15.342 0.623 1.00 0.00 C ATOM 563 CE2 PHE A 40 5.479 -15.941 2.246 1.00 0.00 C ATOM 564 CZ PHE A 40 6.460 -16.310 1.346 1.00 0.00 C ATOM 0 H PHE A 40 4.988 -11.720 4.323 1.00 0.00 H new ATOM 0 HA PHE A 40 7.440 -11.899 2.772 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.481 -12.093 2.280 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.513 -11.674 0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 40 7.344 -13.255 0.236 1.00 0.00 H new ATOM 0 HD2 PHE A 40 4.403 -14.324 3.126 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.895 -15.627 -0.082 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.953 -16.696 2.812 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.703 -17.353 1.208 1.00 0.00 H new ATOM 574 N ILE A 41 5.654 -9.160 2.984 1.00 0.00 N ATOM 575 CA ILE A 41 5.645 -7.733 2.687 1.00 0.00 C ATOM 576 C ILE A 41 6.920 -7.061 3.187 1.00 0.00 C ATOM 577 O ILE A 41 7.462 -6.170 2.532 1.00 0.00 O ATOM 578 CB ILE A 41 4.428 -7.034 3.320 1.00 0.00 C ATOM 579 CG1 ILE A 41 4.070 -5.772 2.532 1.00 0.00 C ATOM 580 CG2 ILE A 41 4.709 -6.693 4.775 1.00 0.00 C ATOM 581 CD1 ILE A 41 2.683 -5.248 2.828 1.00 0.00 C ATOM 0 H ILE A 41 4.919 -9.463 3.624 1.00 0.00 H new ATOM 0 HA ILE A 41 5.586 -7.636 1.603 1.00 0.00 H new ATOM 0 HB ILE A 41 3.578 -7.716 3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.799 -4.994 2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.149 -5.984 1.466 1.00 0.00 H new ATOM 0 HG21 ILE A 41 3.839 -6.199 5.208 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.920 -7.608 5.329 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.570 -6.027 4.833 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.498 -4.353 2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.945 -6.009 2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.605 -5.003 3.887 1.00 0.00 H new ATOM 593 N ILE A 42 7.394 -7.495 4.351 1.00 0.00 N ATOM 594 CA ILE A 42 8.606 -6.936 4.936 1.00 0.00 C ATOM 595 C ILE A 42 9.853 -7.542 4.301 1.00 0.00 C ATOM 596 O ILE A 42 10.779 -6.827 3.923 1.00 0.00 O ATOM 597 CB ILE A 42 8.654 -7.169 6.458 1.00 0.00 C ATOM 598 CG1 ILE A 42 7.426 -6.549 7.129 1.00 0.00 C ATOM 599 CG2 ILE A 42 9.933 -6.588 7.042 1.00 0.00 C ATOM 600 CD1 ILE A 42 7.193 -7.047 8.538 1.00 0.00 C ATOM 0 H ILE A 42 6.957 -8.231 4.906 1.00 0.00 H new ATOM 0 HA ILE A 42 8.586 -5.864 4.740 1.00 0.00 H new ATOM 0 HB ILE A 42 8.646 -8.242 6.648 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.541 -5.465 7.149 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.544 -6.764 6.525 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.953 -6.760 8.118 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.795 -7.070 6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.969 -5.516 6.845 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.307 -6.566 8.952 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.046 -8.127 8.523 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.058 -6.808 9.156 1.00 0.00 H new ATOM 612 N GLY A 43 9.867 -8.867 4.186 1.00 0.00 N ATOM 613 CA GLY A 43 11.004 -9.548 3.594 1.00 0.00 C ATOM 614 C GLY A 43 12.024 -9.978 4.629 1.00 0.00 C ATOM 615 O GLY A 43 11.850 -9.735 5.823 1.00 0.00 O ATOM 0 H GLY A 43 9.112 -9.480 4.492 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.655 -10.424 3.047 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.482 -8.889 2.869 1.00 0.00 H new ATOM 619 N LYS A 44 13.093 -10.623 4.172 1.00 0.00 N ATOM 620 CA LYS A 44 14.146 -11.090 5.065 1.00 0.00 C ATOM 621 C LYS A 44 14.982 -9.922 5.579 1.00 0.00 C ATOM 622 O LYS A 44 15.494 -9.121 4.796 1.00 0.00 O ATOM 623 CB LYS A 44 15.045 -12.098 4.346 1.00 0.00 C ATOM 624 CG LYS A 44 14.516 -13.521 4.383 1.00 0.00 C ATOM 625 CD LYS A 44 13.498 -13.767 3.282 1.00 0.00 C ATOM 626 CE LYS A 44 14.167 -13.886 1.922 1.00 0.00 C ATOM 627 NZ LYS A 44 13.234 -13.541 0.813 1.00 0.00 N ATOM 0 H LYS A 44 13.252 -10.834 3.187 1.00 0.00 H new ATOM 0 HA LYS A 44 13.674 -11.578 5.917 1.00 0.00 H new ATOM 0 HB2 LYS A 44 15.163 -11.790 3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 44 16.036 -12.076 4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.345 -14.221 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.058 -13.715 5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.942 -14.680 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.776 -12.951 3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.035 -13.227 1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.533 -14.903 1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 13.728 -13.634 -0.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.418 -14.186 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 12.904 -12.562 0.929 1.00 0.00 H new ATOM 641 N LYS A 45 15.118 -9.832 6.897 1.00 0.00 N ATOM 642 CA LYS A 45 15.895 -8.765 7.516 1.00 0.00 C ATOM 643 C LYS A 45 15.517 -7.408 6.930 1.00 0.00 C ATOM 644 O LYS A 45 16.381 -6.570 6.670 1.00 0.00 O ATOM 645 CB LYS A 45 17.392 -9.016 7.322 1.00 0.00 C ATOM 646 CG LYS A 45 17.915 -10.204 8.111 1.00 0.00 C ATOM 647 CD LYS A 45 18.001 -9.894 9.596 1.00 0.00 C ATOM 648 CE LYS A 45 18.451 -11.108 10.394 1.00 0.00 C ATOM 649 NZ LYS A 45 17.370 -12.125 10.514 1.00 0.00 N ATOM 0 H LYS A 45 14.700 -10.486 7.558 1.00 0.00 H new ATOM 0 HA LYS A 45 15.670 -8.758 8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 45 17.591 -9.178 6.263 1.00 0.00 H new ATOM 0 HB3 LYS A 45 17.943 -8.123 7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.261 -11.062 7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 45 18.901 -10.483 7.739 1.00 0.00 H new ATOM 0 HD2 LYS A 45 18.699 -9.072 9.757 1.00 0.00 H new ATOM 0 HD3 LYS A 45 17.028 -9.561 9.956 1.00 0.00 H new ATOM 0 HE2 LYS A 45 19.320 -11.557 9.913 1.00 0.00 H new ATOM 0 HE3 LYS A 45 18.765 -10.793 11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.693 -12.905 11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.526 -11.686 10.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.135 -12.495 9.571 1.00 0.00 H new ATOM 663 N GLY A 46 14.220 -7.197 6.725 1.00 0.00 N ATOM 664 CA GLY A 46 13.752 -5.939 6.172 1.00 0.00 C ATOM 665 C GLY A 46 14.487 -5.554 4.903 1.00 0.00 C ATOM 666 O GLY A 46 15.476 -4.825 4.950 1.00 0.00 O ATOM 0 H GLY A 46 13.486 -7.874 6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.685 -6.013 5.962 1.00 0.00 H new ATOM 0 HA3 GLY A 46 13.877 -5.151 6.914 1.00 0.00 H new ATOM 670 N GLN A 47 14.002 -6.047 3.768 1.00 0.00 N ATOM 671 CA GLN A 47 14.621 -5.751 2.481 1.00 0.00 C ATOM 672 C GLN A 47 13.698 -4.903 1.614 1.00 0.00 C ATOM 673 O GLN A 47 14.075 -3.824 1.159 1.00 0.00 O ATOM 674 CB GLN A 47 14.975 -7.049 1.752 1.00 0.00 C ATOM 675 CG GLN A 47 15.721 -6.828 0.446 1.00 0.00 C ATOM 676 CD GLN A 47 16.969 -5.987 0.622 1.00 0.00 C ATOM 677 OE1 GLN A 47 17.615 -6.024 1.670 1.00 0.00 O ATOM 678 NE2 GLN A 47 17.316 -5.219 -0.405 1.00 0.00 N ATOM 0 H GLN A 47 13.183 -6.653 3.713 1.00 0.00 H new ATOM 0 HA GLN A 47 15.534 -5.185 2.667 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.584 -7.670 2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 47 14.059 -7.603 1.548 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.995 -7.793 0.021 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.058 -6.342 -0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.752 -5.219 -1.255 1.00 0.00 H new ATOM 0 HE22 GLN A 47 18.146 -4.630 -0.343 1.00 0.00 H new ATOM 687 N ASN A 48 12.484 -5.398 1.390 1.00 0.00 N ATOM 688 CA ASN A 48 11.506 -4.685 0.576 1.00 0.00 C ATOM 689 C ASN A 48 11.246 -3.290 1.137 1.00 0.00 C ATOM 690 O ASN A 48 11.170 -2.313 0.390 1.00 0.00 O ATOM 691 CB ASN A 48 10.196 -5.472 0.509 1.00 0.00 C ATOM 692 CG ASN A 48 10.360 -6.809 -0.191 1.00 0.00 C ATOM 693 OD1 ASN A 48 10.470 -6.872 -1.415 1.00 0.00 O ATOM 694 ND2 ASN A 48 10.377 -7.886 0.586 1.00 0.00 N ATOM 0 H ASN A 48 12.155 -6.289 1.761 1.00 0.00 H new ATOM 0 HA ASN A 48 11.912 -4.583 -0.430 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.822 -5.637 1.520 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.446 -4.880 -0.015 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.485 -8.812 0.172 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.283 -7.787 1.597 1.00 0.00 H new ATOM 701 N LEU A 49 11.110 -3.205 2.455 1.00 0.00 N ATOM 702 CA LEU A 49 10.858 -1.930 3.118 1.00 0.00 C ATOM 703 C LEU A 49 12.060 -1.000 2.983 1.00 0.00 C ATOM 704 O LEU A 49 11.922 0.157 2.587 1.00 0.00 O ATOM 705 CB LEU A 49 10.536 -2.155 4.595 1.00 0.00 C ATOM 706 CG LEU A 49 9.088 -2.526 4.918 1.00 0.00 C ATOM 707 CD1 LEU A 49 8.933 -2.834 6.398 1.00 0.00 C ATOM 708 CD2 LEU A 49 8.145 -1.406 4.502 1.00 0.00 C ATOM 0 H LEU A 49 11.170 -4.004 3.086 1.00 0.00 H new ATOM 0 HA LEU A 49 10.002 -1.460 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.185 -2.946 4.971 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.788 -1.247 5.143 1.00 0.00 H new ATOM 0 HG LEU A 49 8.828 -3.421 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.896 -3.096 6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.580 -3.670 6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 49 9.212 -1.958 6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.119 -1.687 4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.405 -0.494 5.039 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.235 -1.234 3.429 1.00 0.00 H new ATOM 720 N ALA A 50 13.240 -1.515 3.315 1.00 0.00 N ATOM 721 CA ALA A 50 14.467 -0.733 3.227 1.00 0.00 C ATOM 722 C ALA A 50 14.541 0.027 1.908 1.00 0.00 C ATOM 723 O ALA A 50 14.857 1.217 1.881 1.00 0.00 O ATOM 724 CB ALA A 50 15.681 -1.636 3.387 1.00 0.00 C ATOM 0 H ALA A 50 13.372 -2.470 3.647 1.00 0.00 H new ATOM 0 HA ALA A 50 14.462 -0.003 4.036 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.590 -1.039 3.319 1.00 0.00 H new ATOM 0 HB2 ALA A 50 15.642 -2.129 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.681 -2.388 2.598 1.00 0.00 H new ATOM 730 N LYS A 51 14.248 -0.667 0.813 1.00 0.00 N ATOM 731 CA LYS A 51 14.280 -0.058 -0.511 1.00 0.00 C ATOM 732 C LYS A 51 13.342 1.143 -0.580 1.00 0.00 C ATOM 733 O LYS A 51 13.781 2.272 -0.804 1.00 0.00 O ATOM 734 CB LYS A 51 13.891 -1.086 -1.577 1.00 0.00 C ATOM 735 CG LYS A 51 14.556 -0.848 -2.922 1.00 0.00 C ATOM 736 CD LYS A 51 16.004 -1.306 -2.916 1.00 0.00 C ATOM 737 CE LYS A 51 16.597 -1.299 -4.317 1.00 0.00 C ATOM 738 NZ LYS A 51 16.971 0.074 -4.754 1.00 0.00 N ATOM 0 H LYS A 51 13.985 -1.653 0.817 1.00 0.00 H new ATOM 0 HA LYS A 51 15.296 0.286 -0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 51 14.154 -2.082 -1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.809 -1.070 -1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 51 14.008 -1.381 -3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 51 14.510 0.213 -3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 51 16.590 -0.654 -2.268 1.00 0.00 H new ATOM 0 HD3 LYS A 51 16.067 -2.311 -2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 51 17.478 -1.941 -4.342 1.00 0.00 H new ATOM 0 HE3 LYS A 51 15.877 -1.720 -5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 17.371 0.036 -5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 16.126 0.680 -4.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 17.678 0.466 -4.099 1.00 0.00 H new ATOM 752 N ILE A 52 12.052 0.892 -0.388 1.00 0.00 N ATOM 753 CA ILE A 52 11.053 1.954 -0.427 1.00 0.00 C ATOM 754 C ILE A 52 11.464 3.126 0.457 1.00 0.00 C ATOM 755 O ILE A 52 11.599 4.256 -0.013 1.00 0.00 O ATOM 756 CB ILE A 52 9.672 1.444 0.024 1.00 0.00 C ATOM 757 CG1 ILE A 52 9.216 0.285 -0.865 1.00 0.00 C ATOM 758 CG2 ILE A 52 8.655 2.574 -0.007 1.00 0.00 C ATOM 759 CD1 ILE A 52 8.005 -0.446 -0.331 1.00 0.00 C ATOM 0 H ILE A 52 11.673 -0.037 -0.204 1.00 0.00 H new ATOM 0 HA ILE A 52 10.987 2.288 -1.462 1.00 0.00 H new ATOM 0 HB ILE A 52 9.752 1.081 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.989 0.668 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.038 -0.422 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.684 2.198 0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.976 3.371 0.664 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.575 2.964 -1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.738 -1.254 -1.012 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.234 -0.860 0.651 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.169 0.248 -0.247 1.00 0.00 H new ATOM 771 N THR A 53 11.663 2.850 1.743 1.00 0.00 N ATOM 772 CA THR A 53 12.060 3.881 2.694 1.00 0.00 C ATOM 773 C THR A 53 13.308 4.617 2.219 1.00 0.00 C ATOM 774 O THR A 53 13.419 5.832 2.374 1.00 0.00 O ATOM 775 CB THR A 53 12.327 3.286 4.089 1.00 0.00 C ATOM 776 OG1 THR A 53 13.213 2.166 3.982 1.00 0.00 O ATOM 777 CG2 THR A 53 11.027 2.850 4.749 1.00 0.00 C ATOM 0 H THR A 53 11.556 1.921 2.149 1.00 0.00 H new ATOM 0 HA THR A 53 11.231 4.585 2.761 1.00 0.00 H new ATOM 0 HB THR A 53 12.789 4.056 4.707 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.729 1.401 3.606 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.241 2.433 5.733 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.366 3.710 4.855 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.542 2.094 4.132 1.00 0.00 H new ATOM 785 N GLN A 54 14.243 3.871 1.641 1.00 0.00 N ATOM 786 CA GLN A 54 15.484 4.453 1.144 1.00 0.00 C ATOM 787 C GLN A 54 15.208 5.457 0.030 1.00 0.00 C ATOM 788 O GLN A 54 15.821 6.523 -0.023 1.00 0.00 O ATOM 789 CB GLN A 54 16.420 3.355 0.636 1.00 0.00 C ATOM 790 CG GLN A 54 17.776 3.873 0.182 1.00 0.00 C ATOM 791 CD GLN A 54 18.792 3.913 1.307 1.00 0.00 C ATOM 792 OE1 GLN A 54 19.285 4.979 1.675 1.00 0.00 O ATOM 793 NE2 GLN A 54 19.109 2.748 1.859 1.00 0.00 N ATOM 0 H GLN A 54 14.165 2.863 1.505 1.00 0.00 H new ATOM 0 HA GLN A 54 15.965 4.978 1.970 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.567 2.620 1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 54 15.941 2.837 -0.195 1.00 0.00 H new ATOM 0 HG2 GLN A 54 18.153 3.239 -0.620 1.00 0.00 H new ATOM 0 HG3 GLN A 54 17.658 4.874 -0.232 1.00 0.00 H new ATOM 0 HE21 GLN A 54 18.675 1.889 1.522 1.00 0.00 H new ATOM 0 HE22 GLN A 54 19.787 2.712 2.621 1.00 0.00 H new ATOM 802 N GLN A 55 14.281 5.109 -0.856 1.00 0.00 N ATOM 803 CA GLN A 55 13.923 5.980 -1.970 1.00 0.00 C ATOM 804 C GLN A 55 13.029 7.123 -1.501 1.00 0.00 C ATOM 805 O GLN A 55 13.047 8.212 -2.074 1.00 0.00 O ATOM 806 CB GLN A 55 13.216 5.179 -3.064 1.00 0.00 C ATOM 807 CG GLN A 55 12.756 6.028 -4.239 1.00 0.00 C ATOM 808 CD GLN A 55 13.906 6.482 -5.116 1.00 0.00 C ATOM 809 OE1 GLN A 55 14.400 7.602 -4.982 1.00 0.00 O ATOM 810 NE2 GLN A 55 14.338 5.613 -6.022 1.00 0.00 N ATOM 0 H GLN A 55 13.764 4.230 -0.825 1.00 0.00 H new ATOM 0 HA GLN A 55 14.841 6.404 -2.377 1.00 0.00 H new ATOM 0 HB2 GLN A 55 13.890 4.404 -3.428 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.353 4.673 -2.632 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.049 5.457 -4.840 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.223 6.902 -3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.899 4.695 -6.098 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.109 5.863 -6.642 1.00 0.00 H new ATOM 819 N MET A 56 12.247 6.867 -0.458 1.00 0.00 N ATOM 820 CA MET A 56 11.346 7.875 0.087 1.00 0.00 C ATOM 821 C MET A 56 11.511 7.991 1.599 1.00 0.00 C ATOM 822 O MET A 56 10.734 7.435 2.377 1.00 0.00 O ATOM 823 CB MET A 56 9.895 7.532 -0.255 1.00 0.00 C ATOM 824 CG MET A 56 9.607 7.528 -1.747 1.00 0.00 C ATOM 825 SD MET A 56 10.020 5.955 -2.528 1.00 0.00 S ATOM 826 CE MET A 56 8.405 5.186 -2.614 1.00 0.00 C ATOM 0 H MET A 56 12.219 5.970 0.027 1.00 0.00 H new ATOM 0 HA MET A 56 11.600 8.835 -0.363 1.00 0.00 H new ATOM 0 HB2 MET A 56 9.656 6.551 0.155 1.00 0.00 H new ATOM 0 HB3 MET A 56 9.236 8.251 0.232 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.551 7.745 -1.910 1.00 0.00 H new ATOM 0 HG3 MET A 56 10.174 8.327 -2.225 1.00 0.00 H new ATOM 0 HE1 MET A 56 8.521 4.109 -2.732 1.00 0.00 H new ATOM 0 HE2 MET A 56 7.854 5.394 -1.697 1.00 0.00 H new ATOM 0 HE3 MET A 56 7.856 5.587 -3.466 1.00 0.00 H new ATOM 836 N PRO A 57 12.545 8.729 2.029 1.00 0.00 N ATOM 837 CA PRO A 57 12.835 8.934 3.451 1.00 0.00 C ATOM 838 C PRO A 57 11.796 9.817 4.133 1.00 0.00 C ATOM 839 O PRO A 57 11.523 9.667 5.324 1.00 0.00 O ATOM 840 CB PRO A 57 14.199 9.628 3.438 1.00 0.00 C ATOM 841 CG PRO A 57 14.270 10.302 2.112 1.00 0.00 C ATOM 842 CD PRO A 57 13.511 9.421 1.158 1.00 0.00 C ATOM 0 HA PRO A 57 12.823 7.997 4.008 1.00 0.00 H new ATOM 0 HB2 PRO A 57 14.285 10.347 4.252 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.010 8.910 3.561 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.830 11.298 2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.305 10.424 1.791 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.010 10.004 0.385 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.170 8.717 0.650 1.00 0.00 H new ATOM 850 N LYS A 58 11.216 10.739 3.370 1.00 0.00 N ATOM 851 CA LYS A 58 10.205 11.646 3.900 1.00 0.00 C ATOM 852 C LYS A 58 9.003 10.870 4.430 1.00 0.00 C ATOM 853 O LYS A 58 8.458 11.194 5.485 1.00 0.00 O ATOM 854 CB LYS A 58 9.754 12.628 2.817 1.00 0.00 C ATOM 855 CG LYS A 58 10.774 13.711 2.516 1.00 0.00 C ATOM 856 CD LYS A 58 10.272 14.671 1.451 1.00 0.00 C ATOM 857 CE LYS A 58 10.662 14.209 0.055 1.00 0.00 C ATOM 858 NZ LYS A 58 11.974 14.773 -0.369 1.00 0.00 N ATOM 0 H LYS A 58 11.430 10.877 2.382 1.00 0.00 H new ATOM 0 HA LYS A 58 10.649 12.203 4.725 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.543 12.075 1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.820 13.096 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.999 14.264 3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.705 13.252 2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.187 14.755 1.518 1.00 0.00 H new ATOM 0 HD3 LYS A 58 10.681 15.665 1.634 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.710 13.120 0.033 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.891 14.508 -0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.204 14.435 -1.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.921 15.812 -0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.714 14.467 0.294 1.00 0.00 H new ATOM 872 N VAL A 59 8.595 9.842 3.692 1.00 0.00 N ATOM 873 CA VAL A 59 7.459 9.019 4.089 1.00 0.00 C ATOM 874 C VAL A 59 7.847 8.044 5.195 1.00 0.00 C ATOM 875 O VAL A 59 8.965 7.526 5.217 1.00 0.00 O ATOM 876 CB VAL A 59 6.897 8.225 2.895 1.00 0.00 C ATOM 877 CG1 VAL A 59 5.781 7.296 3.349 1.00 0.00 C ATOM 878 CG2 VAL A 59 6.404 9.172 1.811 1.00 0.00 C ATOM 0 H VAL A 59 9.035 9.560 2.816 1.00 0.00 H new ATOM 0 HA VAL A 59 6.691 9.698 4.459 1.00 0.00 H new ATOM 0 HB VAL A 59 7.698 7.615 2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.396 6.743 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.169 6.595 4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.977 7.883 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.010 8.594 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.617 9.809 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.231 9.792 1.466 1.00 0.00 H new ATOM 888 N HIS A 60 6.917 7.797 6.113 1.00 0.00 N ATOM 889 CA HIS A 60 7.162 6.883 7.222 1.00 0.00 C ATOM 890 C HIS A 60 6.208 5.694 7.166 1.00 0.00 C ATOM 891 O HIS A 60 5.010 5.834 7.416 1.00 0.00 O ATOM 892 CB HIS A 60 7.006 7.613 8.556 1.00 0.00 C ATOM 893 CG HIS A 60 7.849 7.042 9.654 1.00 0.00 C ATOM 894 ND1 HIS A 60 8.275 5.730 9.670 1.00 0.00 N ATOM 895 CD2 HIS A 60 8.348 7.612 10.776 1.00 0.00 C ATOM 896 CE1 HIS A 60 8.997 5.518 10.757 1.00 0.00 C ATOM 897 NE2 HIS A 60 9.057 6.643 11.445 1.00 0.00 N ATOM 0 H HIS A 60 5.988 8.217 6.110 1.00 0.00 H new ATOM 0 HA HIS A 60 8.183 6.512 7.136 1.00 0.00 H new ATOM 0 HB2 HIS A 60 7.265 8.663 8.419 1.00 0.00 H new ATOM 0 HB3 HIS A 60 5.959 7.580 8.858 1.00 0.00 H new ATOM 0 HD2 HIS A 60 8.214 8.637 11.087 1.00 0.00 H new ATOM 0 HE1 HIS A 60 9.460 4.583 11.035 1.00 0.00 H new ATOM 0 HE2 HIS A 60 9.549 6.772 12.329 1.00 0.00 H new ATOM 905 N ILE A 61 6.746 4.525 6.836 1.00 0.00 N ATOM 906 CA ILE A 61 5.943 3.312 6.747 1.00 0.00 C ATOM 907 C ILE A 61 5.907 2.577 8.083 1.00 0.00 C ATOM 908 O ILE A 61 6.948 2.299 8.677 1.00 0.00 O ATOM 909 CB ILE A 61 6.481 2.358 5.664 1.00 0.00 C ATOM 910 CG1 ILE A 61 6.513 3.061 4.305 1.00 0.00 C ATOM 911 CG2 ILE A 61 5.628 1.100 5.596 1.00 0.00 C ATOM 912 CD1 ILE A 61 7.501 2.454 3.335 1.00 0.00 C ATOM 0 H ILE A 61 7.735 4.392 6.626 1.00 0.00 H new ATOM 0 HA ILE A 61 4.933 3.622 6.478 1.00 0.00 H new ATOM 0 HB ILE A 61 7.499 2.070 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.517 3.028 3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.761 4.112 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.020 0.435 4.826 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.651 0.592 6.560 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.600 1.370 5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.470 3.002 2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.505 2.511 3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.241 1.411 3.156 1.00 0.00 H new ATOM 924 N GLU A 62 4.702 2.265 8.549 1.00 0.00 N ATOM 925 CA GLU A 62 4.531 1.562 9.815 1.00 0.00 C ATOM 926 C GLU A 62 3.704 0.294 9.625 1.00 0.00 C ATOM 927 O GLU A 62 2.873 0.210 8.720 1.00 0.00 O ATOM 928 CB GLU A 62 3.859 2.474 10.843 1.00 0.00 C ATOM 929 CG GLU A 62 3.669 1.821 12.203 1.00 0.00 C ATOM 930 CD GLU A 62 4.955 1.764 13.006 1.00 0.00 C ATOM 931 OE1 GLU A 62 5.721 2.750 12.971 1.00 0.00 O ATOM 932 OE2 GLU A 62 5.194 0.735 13.670 1.00 0.00 O ATOM 0 H GLU A 62 3.830 2.488 8.069 1.00 0.00 H new ATOM 0 HA GLU A 62 5.518 1.280 10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.459 3.376 10.963 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.887 2.786 10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.917 2.374 12.766 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.285 0.810 12.066 1.00 0.00 H new ATOM 939 N PHE A 63 3.938 -0.692 10.485 1.00 0.00 N ATOM 940 CA PHE A 63 3.216 -1.957 10.412 1.00 0.00 C ATOM 941 C PHE A 63 2.575 -2.296 11.754 1.00 0.00 C ATOM 942 O PHE A 63 3.265 -2.599 12.728 1.00 0.00 O ATOM 943 CB PHE A 63 4.161 -3.084 9.987 1.00 0.00 C ATOM 944 CG PHE A 63 4.231 -3.277 8.499 1.00 0.00 C ATOM 945 CD1 PHE A 63 3.102 -3.630 7.779 1.00 0.00 C ATOM 946 CD2 PHE A 63 5.428 -3.107 7.821 1.00 0.00 C ATOM 947 CE1 PHE A 63 3.164 -3.810 6.410 1.00 0.00 C ATOM 948 CE2 PHE A 63 5.496 -3.285 6.453 1.00 0.00 C ATOM 949 CZ PHE A 63 4.363 -3.636 5.746 1.00 0.00 C ATOM 0 H PHE A 63 4.622 -0.639 11.240 1.00 0.00 H new ATOM 0 HA PHE A 63 2.426 -1.853 9.668 1.00 0.00 H new ATOM 0 HB2 PHE A 63 5.161 -2.871 10.365 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.836 -4.015 10.451 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.162 -3.766 8.293 1.00 0.00 H new ATOM 0 HD2 PHE A 63 6.317 -2.832 8.369 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.276 -4.086 5.860 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.435 -3.150 5.937 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.414 -3.774 4.676 1.00 0.00 H new ATOM 959 N THR A 64 1.247 -2.240 11.800 1.00 0.00 N ATOM 960 CA THR A 64 0.510 -2.538 13.022 1.00 0.00 C ATOM 961 C THR A 64 0.375 -4.043 13.229 1.00 0.00 C ATOM 962 O THR A 64 0.920 -4.835 12.462 1.00 0.00 O ATOM 963 CB THR A 64 -0.893 -1.905 13.000 1.00 0.00 C ATOM 964 OG1 THR A 64 -1.512 -2.043 14.284 1.00 0.00 O ATOM 965 CG2 THR A 64 -1.766 -2.559 11.939 1.00 0.00 C ATOM 0 H THR A 64 0.660 -1.991 11.004 1.00 0.00 H new ATOM 0 HA THR A 64 1.079 -2.111 13.847 1.00 0.00 H new ATOM 0 HB THR A 64 -0.786 -0.847 12.759 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.858 -1.174 14.576 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.752 -2.095 11.943 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.307 -2.428 10.959 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.865 -3.623 12.154 1.00 0.00 H new ATOM 973 N GLU A 65 -0.355 -4.428 14.270 1.00 0.00 N ATOM 974 CA GLU A 65 -0.562 -5.839 14.577 1.00 0.00 C ATOM 975 C GLU A 65 -2.004 -6.252 14.294 1.00 0.00 C ATOM 976 O GLU A 65 -2.260 -7.108 13.449 1.00 0.00 O ATOM 977 CB GLU A 65 -0.218 -6.121 16.041 1.00 0.00 C ATOM 978 CG GLU A 65 1.275 -6.234 16.305 1.00 0.00 C ATOM 979 CD GLU A 65 1.939 -7.293 15.447 1.00 0.00 C ATOM 980 OE1 GLU A 65 1.970 -8.467 15.874 1.00 0.00 O ATOM 981 OE2 GLU A 65 2.429 -6.950 14.352 1.00 0.00 O ATOM 0 H GLU A 65 -0.813 -3.784 14.915 1.00 0.00 H new ATOM 0 HA GLU A 65 0.098 -6.424 13.936 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.629 -5.325 16.662 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.704 -7.047 16.348 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.748 -5.270 16.117 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.438 -6.469 17.357 1.00 0.00 H new ATOM 988 N GLY A 66 -2.941 -5.637 15.008 1.00 0.00 N ATOM 989 CA GLY A 66 -4.345 -5.953 14.819 1.00 0.00 C ATOM 990 C GLY A 66 -5.010 -5.053 13.799 1.00 0.00 C ATOM 991 O GLY A 66 -5.787 -5.518 12.965 1.00 0.00 O ATOM 0 H GLY A 66 -2.753 -4.925 15.714 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.441 -6.991 14.500 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.866 -5.863 15.772 1.00 0.00 H new ATOM 995 N GLU A 67 -4.708 -3.760 13.865 1.00 0.00 N ATOM 996 CA GLU A 67 -5.285 -2.793 12.938 1.00 0.00 C ATOM 997 C GLU A 67 -5.204 -3.299 11.501 1.00 0.00 C ATOM 998 O GLU A 67 -5.942 -2.843 10.629 1.00 0.00 O ATOM 999 CB GLU A 67 -4.566 -1.447 13.059 1.00 0.00 C ATOM 1000 CG GLU A 67 -5.133 -0.549 14.146 1.00 0.00 C ATOM 1001 CD GLU A 67 -6.649 -0.526 14.152 1.00 0.00 C ATOM 1002 OE1 GLU A 67 -7.249 -0.626 13.061 1.00 0.00 O ATOM 1003 OE2 GLU A 67 -7.235 -0.409 15.249 1.00 0.00 O ATOM 0 H GLU A 67 -4.068 -3.358 14.550 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.335 -2.661 13.198 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.510 -1.626 13.261 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.624 -0.927 12.103 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.775 -0.890 15.117 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.759 0.465 14.006 1.00 0.00 H new ATOM 1010 N ASP A 68 -4.302 -4.245 11.264 1.00 0.00 N ATOM 1011 CA ASP A 68 -4.123 -4.815 9.933 1.00 0.00 C ATOM 1012 C ASP A 68 -4.112 -3.720 8.870 1.00 0.00 C ATOM 1013 O ASP A 68 -4.890 -3.759 7.917 1.00 0.00 O ATOM 1014 CB ASP A 68 -5.233 -5.823 9.634 1.00 0.00 C ATOM 1015 CG ASP A 68 -4.903 -7.214 10.138 1.00 0.00 C ATOM 1016 OD1 ASP A 68 -5.103 -7.474 11.343 1.00 0.00 O ATOM 1017 OD2 ASP A 68 -4.444 -8.045 9.325 1.00 0.00 O ATOM 0 H ASP A 68 -3.683 -4.634 11.976 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.161 -5.328 9.910 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.161 -5.484 10.094 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.405 -5.861 8.558 1.00 0.00 H new ATOM 1022 N LYS A 69 -3.228 -2.744 9.042 1.00 0.00 N ATOM 1023 CA LYS A 69 -3.116 -1.638 8.099 1.00 0.00 C ATOM 1024 C LYS A 69 -1.732 -0.999 8.172 1.00 0.00 C ATOM 1025 O LYS A 69 -0.963 -1.268 9.095 1.00 0.00 O ATOM 1026 CB LYS A 69 -4.190 -0.587 8.384 1.00 0.00 C ATOM 1027 CG LYS A 69 -3.751 0.480 9.371 1.00 0.00 C ATOM 1028 CD LYS A 69 -4.924 1.326 9.837 1.00 0.00 C ATOM 1029 CE LYS A 69 -4.669 1.924 11.212 1.00 0.00 C ATOM 1030 NZ LYS A 69 -5.823 2.737 11.687 1.00 0.00 N ATOM 0 H LYS A 69 -2.578 -2.696 9.827 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.262 -2.034 7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.475 -0.108 7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.079 -1.084 8.771 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.277 0.008 10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.001 1.120 8.906 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.105 2.126 9.119 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.826 0.715 9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -4.471 1.124 11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.776 2.548 11.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.609 3.127 12.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.996 3.516 11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.670 2.136 11.745 1.00 0.00 H new ATOM 1044 N ILE A 70 -1.424 -0.152 7.196 1.00 0.00 N ATOM 1045 CA ILE A 70 -0.135 0.527 7.152 1.00 0.00 C ATOM 1046 C ILE A 70 -0.302 2.034 7.308 1.00 0.00 C ATOM 1047 O ILE A 70 -0.962 2.685 6.496 1.00 0.00 O ATOM 1048 CB ILE A 70 0.609 0.236 5.836 1.00 0.00 C ATOM 1049 CG1 ILE A 70 0.920 -1.257 5.719 1.00 0.00 C ATOM 1050 CG2 ILE A 70 1.888 1.057 5.759 1.00 0.00 C ATOM 1051 CD1 ILE A 70 1.286 -1.690 4.317 1.00 0.00 C ATOM 0 H ILE A 70 -2.050 0.081 6.425 1.00 0.00 H new ATOM 0 HA ILE A 70 0.454 0.142 7.985 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.033 0.520 5.002 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.741 -1.503 6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.053 -1.828 6.052 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.403 0.841 4.823 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.642 2.118 5.801 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.536 0.801 6.597 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.494 -2.760 4.309 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.457 -1.476 3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.171 -1.146 3.988 1.00 0.00 H new ATOM 1063 N THR A 71 0.302 2.586 8.356 1.00 0.00 N ATOM 1064 CA THR A 71 0.221 4.018 8.618 1.00 0.00 C ATOM 1065 C THR A 71 1.370 4.764 7.951 1.00 0.00 C ATOM 1066 O THR A 71 2.540 4.445 8.166 1.00 0.00 O ATOM 1067 CB THR A 71 0.241 4.314 10.130 1.00 0.00 C ATOM 1068 OG1 THR A 71 -0.889 3.704 10.763 1.00 0.00 O ATOM 1069 CG2 THR A 71 0.226 5.813 10.387 1.00 0.00 C ATOM 0 H THR A 71 0.853 2.063 9.037 1.00 0.00 H new ATOM 0 HA THR A 71 -0.725 4.363 8.200 1.00 0.00 H new ATOM 0 HB THR A 71 1.158 3.899 10.548 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.868 3.895 11.724 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.240 5.998 11.461 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.103 6.270 9.928 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.676 6.247 9.956 1.00 0.00 H new ATOM 1077 N LEU A 72 1.030 5.761 7.139 1.00 0.00 N ATOM 1078 CA LEU A 72 2.034 6.554 6.440 1.00 0.00 C ATOM 1079 C LEU A 72 2.120 7.961 7.024 1.00 0.00 C ATOM 1080 O LEU A 72 1.158 8.460 7.606 1.00 0.00 O ATOM 1081 CB LEU A 72 1.707 6.627 4.948 1.00 0.00 C ATOM 1082 CG LEU A 72 1.964 5.355 4.141 1.00 0.00 C ATOM 1083 CD1 LEU A 72 3.414 4.919 4.281 1.00 0.00 C ATOM 1084 CD2 LEU A 72 1.025 4.242 4.585 1.00 0.00 C ATOM 0 H LEU A 72 0.067 6.038 6.949 1.00 0.00 H new ATOM 0 HA LEU A 72 3.001 6.067 6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.656 6.896 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.290 7.436 4.508 1.00 0.00 H new ATOM 0 HG LEU A 72 1.770 5.569 3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.579 4.012 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.069 5.709 3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.635 4.723 5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.222 3.344 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.187 4.029 5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.008 4.555 4.432 1.00 0.00 H new ATOM 1096 N GLU A 73 3.276 8.595 6.860 1.00 0.00 N ATOM 1097 CA GLU A 73 3.486 9.945 7.370 1.00 0.00 C ATOM 1098 C GLU A 73 4.437 10.726 6.468 1.00 0.00 C ATOM 1099 O GLU A 73 5.576 10.316 6.247 1.00 0.00 O ATOM 1100 CB GLU A 73 4.041 9.896 8.795 1.00 0.00 C ATOM 1101 CG GLU A 73 4.412 11.260 9.351 1.00 0.00 C ATOM 1102 CD GLU A 73 5.147 11.171 10.674 1.00 0.00 C ATOM 1103 OE1 GLU A 73 4.476 11.034 11.718 1.00 0.00 O ATOM 1104 OE2 GLU A 73 6.394 11.238 10.665 1.00 0.00 O ATOM 0 H GLU A 73 4.082 8.196 6.378 1.00 0.00 H new ATOM 0 HA GLU A 73 2.523 10.455 7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.300 9.436 9.449 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.922 9.255 8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.036 11.785 8.628 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.507 11.853 9.482 1.00 0.00 H new ATOM 1111 N GLY A 74 3.961 11.853 5.949 1.00 0.00 N ATOM 1112 CA GLY A 74 4.781 12.673 5.077 1.00 0.00 C ATOM 1113 C GLY A 74 3.953 13.569 4.176 1.00 0.00 C ATOM 1114 O GLY A 74 2.736 13.679 4.323 1.00 0.00 O ATOM 0 H GLY A 74 3.022 12.213 6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.447 13.288 5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.411 12.029 4.464 1.00 0.00 H new ATOM 1118 N PRO A 75 4.621 14.231 3.219 1.00 0.00 N ATOM 1119 CA PRO A 75 3.958 15.135 2.274 1.00 0.00 C ATOM 1120 C PRO A 75 3.076 14.388 1.279 1.00 0.00 C ATOM 1121 O PRO A 75 3.501 13.404 0.673 1.00 0.00 O ATOM 1122 CB PRO A 75 5.126 15.810 1.551 1.00 0.00 C ATOM 1123 CG PRO A 75 6.252 14.840 1.664 1.00 0.00 C ATOM 1124 CD PRO A 75 6.072 14.148 2.986 1.00 0.00 C ATOM 0 HA PRO A 75 3.290 15.833 2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.882 16.014 0.508 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.378 16.765 2.012 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.233 14.123 0.843 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.214 15.351 1.619 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.414 13.114 2.948 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.635 14.642 3.778 1.00 0.00 H new ATOM 1132 N THR A 76 1.845 14.862 1.116 1.00 0.00 N ATOM 1133 CA THR A 76 0.903 14.239 0.195 1.00 0.00 C ATOM 1134 C THR A 76 1.590 13.832 -1.104 1.00 0.00 C ATOM 1135 O THR A 76 1.299 12.777 -1.666 1.00 0.00 O ATOM 1136 CB THR A 76 -0.271 15.181 -0.132 1.00 0.00 C ATOM 1137 OG1 THR A 76 -1.110 14.592 -1.131 1.00 0.00 O ATOM 1138 CG2 THR A 76 0.237 16.530 -0.619 1.00 0.00 C ATOM 0 H THR A 76 1.477 15.675 1.610 1.00 0.00 H new ATOM 0 HA THR A 76 0.517 13.349 0.693 1.00 0.00 H new ATOM 0 HB THR A 76 -0.848 15.335 0.780 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.854 15.197 -1.331 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.610 17.178 -0.844 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.850 16.990 0.156 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.836 16.390 -1.519 1.00 0.00 H new ATOM 1146 N GLU A 77 2.501 14.677 -1.575 1.00 0.00 N ATOM 1147 CA GLU A 77 3.230 14.405 -2.808 1.00 0.00 C ATOM 1148 C GLU A 77 3.910 13.041 -2.749 1.00 0.00 C ATOM 1149 O GLU A 77 3.698 12.191 -3.614 1.00 0.00 O ATOM 1150 CB GLU A 77 4.272 15.496 -3.063 1.00 0.00 C ATOM 1151 CG GLU A 77 5.005 15.340 -4.385 1.00 0.00 C ATOM 1152 CD GLU A 77 4.078 15.432 -5.582 1.00 0.00 C ATOM 1153 OE1 GLU A 77 3.249 14.517 -5.762 1.00 0.00 O ATOM 1154 OE2 GLU A 77 4.184 16.420 -6.337 1.00 0.00 O ATOM 0 H GLU A 77 2.752 15.556 -1.122 1.00 0.00 H new ATOM 0 HA GLU A 77 2.513 14.399 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.780 16.468 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.999 15.489 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.772 16.111 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.517 14.378 -4.400 1.00 0.00 H new ATOM 1161 N ASP A 78 4.728 12.838 -1.721 1.00 0.00 N ATOM 1162 CA ASP A 78 5.440 11.578 -1.547 1.00 0.00 C ATOM 1163 C ASP A 78 4.489 10.475 -1.096 1.00 0.00 C ATOM 1164 O ASP A 78 4.473 9.383 -1.665 1.00 0.00 O ATOM 1165 CB ASP A 78 6.570 11.742 -0.530 1.00 0.00 C ATOM 1166 CG ASP A 78 7.683 10.733 -0.732 1.00 0.00 C ATOM 1167 OD1 ASP A 78 7.394 9.621 -1.220 1.00 0.00 O ATOM 1168 OD2 ASP A 78 8.843 11.057 -0.405 1.00 0.00 O ATOM 0 H ASP A 78 4.914 13.531 -0.996 1.00 0.00 H new ATOM 0 HA ASP A 78 5.867 11.294 -2.509 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.979 12.749 -0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.166 11.636 0.477 1.00 0.00 H new ATOM 1173 N VAL A 79 3.697 10.765 -0.069 1.00 0.00 N ATOM 1174 CA VAL A 79 2.743 9.798 0.460 1.00 0.00 C ATOM 1175 C VAL A 79 1.951 9.138 -0.664 1.00 0.00 C ATOM 1176 O VAL A 79 1.721 7.929 -0.648 1.00 0.00 O ATOM 1177 CB VAL A 79 1.760 10.459 1.444 1.00 0.00 C ATOM 1178 CG1 VAL A 79 0.741 9.447 1.944 1.00 0.00 C ATOM 1179 CG2 VAL A 79 2.514 11.087 2.607 1.00 0.00 C ATOM 0 H VAL A 79 3.697 11.663 0.414 1.00 0.00 H new ATOM 0 HA VAL A 79 3.321 9.040 0.989 1.00 0.00 H new ATOM 0 HB VAL A 79 1.223 11.249 0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.056 9.933 2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 79 0.180 9.048 1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.256 8.633 2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 79 1.805 11.550 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.078 10.317 3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.200 11.845 2.229 1.00 0.00 H new ATOM 1189 N SER A 80 1.536 9.940 -1.639 1.00 0.00 N ATOM 1190 CA SER A 80 0.767 9.434 -2.770 1.00 0.00 C ATOM 1191 C SER A 80 1.556 8.375 -3.533 1.00 0.00 C ATOM 1192 O SER A 80 0.993 7.395 -4.020 1.00 0.00 O ATOM 1193 CB SER A 80 0.389 10.581 -3.710 1.00 0.00 C ATOM 1194 OG SER A 80 -0.652 10.194 -4.591 1.00 0.00 O ATOM 0 H SER A 80 1.719 10.943 -1.669 1.00 0.00 H new ATOM 0 HA SER A 80 -0.143 8.975 -2.383 1.00 0.00 H new ATOM 0 HB2 SER A 80 0.073 11.446 -3.126 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.263 10.887 -4.286 1.00 0.00 H new ATOM 0 HG SER A 80 -0.877 10.944 -5.181 1.00 0.00 H new ATOM 1200 N VAL A 81 2.865 8.579 -3.634 1.00 0.00 N ATOM 1201 CA VAL A 81 3.734 7.642 -4.337 1.00 0.00 C ATOM 1202 C VAL A 81 4.029 6.417 -3.478 1.00 0.00 C ATOM 1203 O VAL A 81 3.797 5.284 -3.897 1.00 0.00 O ATOM 1204 CB VAL A 81 5.064 8.305 -4.741 1.00 0.00 C ATOM 1205 CG1 VAL A 81 5.980 7.296 -5.418 1.00 0.00 C ATOM 1206 CG2 VAL A 81 4.811 9.499 -5.649 1.00 0.00 C ATOM 0 H VAL A 81 3.348 9.385 -3.238 1.00 0.00 H new ATOM 0 HA VAL A 81 3.204 7.332 -5.237 1.00 0.00 H new ATOM 0 HB VAL A 81 5.560 8.662 -3.838 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.915 7.783 -5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.188 6.476 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.494 6.906 -6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.762 9.955 -5.924 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.293 9.168 -6.549 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.196 10.231 -5.125 1.00 0.00 H new ATOM 1216 N ALA A 82 4.542 6.654 -2.276 1.00 0.00 N ATOM 1217 CA ALA A 82 4.866 5.570 -1.357 1.00 0.00 C ATOM 1218 C ALA A 82 3.649 4.690 -1.093 1.00 0.00 C ATOM 1219 O ALA A 82 3.727 3.465 -1.181 1.00 0.00 O ATOM 1220 CB ALA A 82 5.408 6.130 -0.050 1.00 0.00 C ATOM 0 H ALA A 82 4.742 7.587 -1.916 1.00 0.00 H new ATOM 0 HA ALA A 82 5.634 4.952 -1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.646 5.309 0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.310 6.709 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.657 6.773 0.409 1.00 0.00 H new ATOM 1226 N GLN A 83 2.526 5.324 -0.771 1.00 0.00 N ATOM 1227 CA GLN A 83 1.292 4.598 -0.493 1.00 0.00 C ATOM 1228 C GLN A 83 0.848 3.796 -1.712 1.00 0.00 C ATOM 1229 O GLN A 83 0.366 2.670 -1.584 1.00 0.00 O ATOM 1230 CB GLN A 83 0.186 5.569 -0.075 1.00 0.00 C ATOM 1231 CG GLN A 83 -0.579 6.160 -1.247 1.00 0.00 C ATOM 1232 CD GLN A 83 -1.794 6.953 -0.811 1.00 0.00 C ATOM 1233 OE1 GLN A 83 -1.671 8.060 -0.285 1.00 0.00 O ATOM 1234 NE2 GLN A 83 -2.978 6.391 -1.026 1.00 0.00 N ATOM 0 H GLN A 83 2.445 6.338 -0.696 1.00 0.00 H new ATOM 0 HA GLN A 83 1.484 3.905 0.326 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.514 5.050 0.580 1.00 0.00 H new ATOM 0 HB3 GLN A 83 0.626 6.379 0.507 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.085 6.807 -1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.894 5.356 -1.912 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.034 5.472 -1.465 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.831 6.878 -0.752 1.00 0.00 H new ATOM 1243 N GLU A 84 1.011 4.383 -2.893 1.00 0.00 N ATOM 1244 CA GLU A 84 0.624 3.722 -4.134 1.00 0.00 C ATOM 1245 C GLU A 84 1.521 2.520 -4.412 1.00 0.00 C ATOM 1246 O GLU A 84 1.049 1.468 -4.842 1.00 0.00 O ATOM 1247 CB GLU A 84 0.693 4.705 -5.304 1.00 0.00 C ATOM 1248 CG GLU A 84 0.488 4.053 -6.661 1.00 0.00 C ATOM 1249 CD GLU A 84 -0.977 3.891 -7.015 1.00 0.00 C ATOM 1250 OE1 GLU A 84 -1.800 4.682 -6.511 1.00 0.00 O ATOM 1251 OE2 GLU A 84 -1.299 2.972 -7.797 1.00 0.00 O ATOM 0 H GLU A 84 1.408 5.314 -3.017 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.402 3.371 -4.024 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.063 5.477 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.663 5.203 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.979 4.654 -7.427 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.970 3.075 -6.667 1.00 0.00 H new ATOM 1258 N GLN A 85 2.816 2.684 -4.165 1.00 0.00 N ATOM 1259 CA GLN A 85 3.779 1.613 -4.390 1.00 0.00 C ATOM 1260 C GLN A 85 3.428 0.382 -3.561 1.00 0.00 C ATOM 1261 O GLN A 85 3.583 -0.751 -4.018 1.00 0.00 O ATOM 1262 CB GLN A 85 5.192 2.088 -4.046 1.00 0.00 C ATOM 1263 CG GLN A 85 5.797 3.007 -5.095 1.00 0.00 C ATOM 1264 CD GLN A 85 7.313 2.981 -5.089 1.00 0.00 C ATOM 1265 OE1 GLN A 85 7.931 2.327 -4.249 1.00 0.00 O ATOM 1266 NE2 GLN A 85 7.921 3.693 -6.031 1.00 0.00 N ATOM 0 H GLN A 85 3.223 3.549 -3.809 1.00 0.00 H new ATOM 0 HA GLN A 85 3.741 1.341 -5.445 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.168 2.609 -3.089 1.00 0.00 H new ATOM 0 HB3 GLN A 85 5.838 1.219 -3.920 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.436 2.714 -6.081 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.454 4.027 -4.920 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.369 4.221 -6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.940 3.712 -6.078 1.00 0.00 H new ATOM 1275 N ILE A 86 2.954 0.612 -2.341 1.00 0.00 N ATOM 1276 CA ILE A 86 2.580 -0.479 -1.449 1.00 0.00 C ATOM 1277 C ILE A 86 1.256 -1.104 -1.872 1.00 0.00 C ATOM 1278 O ILE A 86 1.018 -2.290 -1.644 1.00 0.00 O ATOM 1279 CB ILE A 86 2.467 0.002 0.011 1.00 0.00 C ATOM 1280 CG1 ILE A 86 3.770 0.670 0.453 1.00 0.00 C ATOM 1281 CG2 ILE A 86 2.125 -1.165 0.926 1.00 0.00 C ATOM 1282 CD1 ILE A 86 3.683 1.319 1.816 1.00 0.00 C ATOM 0 H ILE A 86 2.820 1.544 -1.948 1.00 0.00 H new ATOM 0 HA ILE A 86 3.369 -1.228 -1.516 1.00 0.00 H new ATOM 0 HB ILE A 86 1.665 0.737 0.076 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.565 -0.075 0.464 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.050 1.424 -0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.048 -0.811 1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.174 -1.600 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.908 -1.921 0.860 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.642 1.773 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.910 2.088 1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.434 0.565 2.563 1.00 0.00 H new ATOM 1294 N GLU A 87 0.397 -0.298 -2.489 1.00 0.00 N ATOM 1295 CA GLU A 87 -0.904 -0.775 -2.944 1.00 0.00 C ATOM 1296 C GLU A 87 -0.752 -1.725 -4.128 1.00 0.00 C ATOM 1297 O GLU A 87 -1.634 -2.538 -4.404 1.00 0.00 O ATOM 1298 CB GLU A 87 -1.796 0.405 -3.334 1.00 0.00 C ATOM 1299 CG GLU A 87 -2.521 1.037 -2.157 1.00 0.00 C ATOM 1300 CD GLU A 87 -3.850 1.650 -2.552 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -4.012 2.000 -3.739 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -4.728 1.781 -1.673 1.00 0.00 O ATOM 0 H GLU A 87 0.578 0.686 -2.685 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.371 -1.318 -2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.186 1.164 -3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.532 0.067 -4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.688 0.281 -1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.887 1.806 -1.715 1.00 0.00 H new ATOM 1309 N GLY A 88 0.374 -1.616 -4.826 1.00 0.00 N ATOM 1310 CA GLY A 88 0.622 -2.470 -5.974 1.00 0.00 C ATOM 1311 C GLY A 88 1.239 -3.798 -5.584 1.00 0.00 C ATOM 1312 O GLY A 88 0.790 -4.853 -6.030 1.00 0.00 O ATOM 0 H GLY A 88 1.119 -0.952 -4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.316 -2.649 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.284 -1.955 -6.670 1.00 0.00 H new ATOM 1316 N MET A 89 2.273 -3.747 -4.750 1.00 0.00 N ATOM 1317 CA MET A 89 2.953 -4.957 -4.302 1.00 0.00 C ATOM 1318 C MET A 89 2.020 -5.827 -3.464 1.00 0.00 C ATOM 1319 O MET A 89 2.080 -7.055 -3.525 1.00 0.00 O ATOM 1320 CB MET A 89 4.198 -4.596 -3.489 1.00 0.00 C ATOM 1321 CG MET A 89 3.909 -3.693 -2.302 1.00 0.00 C ATOM 1322 SD MET A 89 5.407 -3.001 -1.574 1.00 0.00 S ATOM 1323 CE MET A 89 5.493 -3.921 -0.040 1.00 0.00 C ATOM 0 H MET A 89 2.658 -2.882 -4.371 1.00 0.00 H new ATOM 0 HA MET A 89 3.254 -5.522 -5.184 1.00 0.00 H new ATOM 0 HB2 MET A 89 4.667 -5.513 -3.132 1.00 0.00 H new ATOM 0 HB3 MET A 89 4.918 -4.104 -4.142 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.255 -2.881 -2.619 1.00 0.00 H new ATOM 0 HG3 MET A 89 3.369 -4.259 -1.543 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.370 -3.605 0.525 1.00 0.00 H new ATOM 0 HE2 MET A 89 4.595 -3.732 0.548 1.00 0.00 H new ATOM 0 HE3 MET A 89 5.566 -4.986 -0.258 1.00 0.00 H new ATOM 1333 N VAL A 90 1.159 -5.182 -2.683 1.00 0.00 N ATOM 1334 CA VAL A 90 0.213 -5.897 -1.836 1.00 0.00 C ATOM 1335 C VAL A 90 -0.848 -6.604 -2.670 1.00 0.00 C ATOM 1336 O VAL A 90 -1.176 -7.765 -2.424 1.00 0.00 O ATOM 1337 CB VAL A 90 -0.480 -4.945 -0.842 1.00 0.00 C ATOM 1338 CG1 VAL A 90 -1.624 -5.654 -0.132 1.00 0.00 C ATOM 1339 CG2 VAL A 90 0.524 -4.398 0.161 1.00 0.00 C ATOM 0 H VAL A 90 1.098 -4.166 -2.620 1.00 0.00 H new ATOM 0 HA VAL A 90 0.785 -6.639 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.895 -4.105 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.101 -4.966 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.355 -5.991 -0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.236 -6.514 0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.017 -3.728 0.855 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.971 -5.223 0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.305 -3.850 -0.367 1.00 0.00 H new ATOM 1349 N LYS A 91 -1.383 -5.896 -3.660 1.00 0.00 N ATOM 1350 CA LYS A 91 -2.406 -6.456 -4.534 1.00 0.00 C ATOM 1351 C LYS A 91 -1.843 -7.602 -5.369 1.00 0.00 C ATOM 1352 O LYS A 91 -2.490 -8.634 -5.541 1.00 0.00 O ATOM 1353 CB LYS A 91 -2.970 -5.370 -5.454 1.00 0.00 C ATOM 1354 CG LYS A 91 -3.886 -5.908 -6.540 1.00 0.00 C ATOM 1355 CD LYS A 91 -5.333 -5.953 -6.078 1.00 0.00 C ATOM 1356 CE LYS A 91 -6.286 -6.128 -7.250 1.00 0.00 C ATOM 1357 NZ LYS A 91 -7.532 -6.839 -6.849 1.00 0.00 N ATOM 0 H LYS A 91 -1.124 -4.933 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.208 -6.847 -3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.520 -4.646 -4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -2.143 -4.835 -5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.806 -5.281 -7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -3.563 -6.909 -6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -5.466 -6.774 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.575 -5.033 -5.545 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.541 -5.151 -7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.788 -6.686 -8.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.156 -6.939 -7.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.291 -7.781 -6.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.020 -6.294 -6.110 1.00 0.00 H new ATOM 1371 N ASP A 92 -0.633 -7.411 -5.885 1.00 0.00 N ATOM 1372 CA ASP A 92 0.019 -8.431 -6.700 1.00 0.00 C ATOM 1373 C ASP A 92 0.331 -9.672 -5.870 1.00 0.00 C ATOM 1374 O ASP A 92 0.332 -10.791 -6.384 1.00 0.00 O ATOM 1375 CB ASP A 92 1.305 -7.876 -7.314 1.00 0.00 C ATOM 1376 CG ASP A 92 1.853 -8.767 -8.411 1.00 0.00 C ATOM 1377 OD1 ASP A 92 1.056 -9.500 -9.034 1.00 0.00 O ATOM 1378 OD2 ASP A 92 3.080 -8.733 -8.647 1.00 0.00 O ATOM 0 H ASP A 92 -0.085 -6.561 -5.754 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.664 -8.714 -7.500 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.112 -6.883 -7.719 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.057 -7.761 -6.533 1.00 0.00 H new ATOM 1383 N LEU A 93 0.597 -9.467 -4.585 1.00 0.00 N ATOM 1384 CA LEU A 93 0.913 -10.569 -3.683 1.00 0.00 C ATOM 1385 C LEU A 93 -0.346 -11.348 -3.314 1.00 0.00 C ATOM 1386 O LEU A 93 -0.366 -12.578 -3.371 1.00 0.00 O ATOM 1387 CB LEU A 93 1.590 -10.041 -2.417 1.00 0.00 C ATOM 1388 CG LEU A 93 3.053 -9.624 -2.563 1.00 0.00 C ATOM 1389 CD1 LEU A 93 3.484 -8.766 -1.384 1.00 0.00 C ATOM 1390 CD2 LEU A 93 3.948 -10.849 -2.689 1.00 0.00 C ATOM 0 H LEU A 93 0.600 -8.547 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 93 1.597 -11.243 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.023 -9.183 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.527 -10.811 -1.648 1.00 0.00 H new ATOM 0 HG LEU A 93 3.152 -9.032 -3.473 1.00 0.00 H new ATOM 0 HD11 LEU A 93 4.528 -8.479 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.864 -7.870 -1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.369 -9.333 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.986 -10.532 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.844 -11.468 -1.798 1.00 0.00 H new ATOM 0 HD23 LEU A 93 3.655 -11.425 -3.567 1.00 0.00 H new ATOM 1402 N ILE A 94 -1.395 -10.623 -2.938 1.00 0.00 N ATOM 1403 CA ILE A 94 -2.657 -11.246 -2.563 1.00 0.00 C ATOM 1404 C ILE A 94 -3.254 -12.025 -3.730 1.00 0.00 C ATOM 1405 O ILE A 94 -3.879 -13.068 -3.539 1.00 0.00 O ATOM 1406 CB ILE A 94 -3.680 -10.199 -2.083 1.00 0.00 C ATOM 1407 CG1 ILE A 94 -3.169 -9.496 -0.824 1.00 0.00 C ATOM 1408 CG2 ILE A 94 -5.027 -10.856 -1.819 1.00 0.00 C ATOM 1409 CD1 ILE A 94 -3.836 -8.163 -0.564 1.00 0.00 C ATOM 0 H ILE A 94 -1.395 -9.604 -2.885 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.439 -11.932 -1.745 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.809 -9.453 -2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.328 -10.147 0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.093 -9.344 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -5.739 -10.103 -1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.394 -11.316 -2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.914 -11.620 -1.050 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.425 -7.721 0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.655 -7.495 -1.406 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.909 -8.311 -0.442 1.00 0.00 H new ATOM 1421 N ASN A 95 -3.056 -11.512 -4.940 1.00 0.00 N ATOM 1422 CA ASN A 95 -3.573 -12.161 -6.139 1.00 0.00 C ATOM 1423 C ASN A 95 -2.749 -13.395 -6.489 1.00 0.00 C ATOM 1424 O ASN A 95 -3.245 -14.327 -7.124 1.00 0.00 O ATOM 1425 CB ASN A 95 -3.571 -11.182 -7.315 1.00 0.00 C ATOM 1426 CG ASN A 95 -4.649 -10.123 -7.188 1.00 0.00 C ATOM 1427 OD1 ASN A 95 -5.370 -10.072 -6.192 1.00 0.00 O ATOM 1428 ND2 ASN A 95 -4.762 -9.270 -8.201 1.00 0.00 N ATOM 0 H ASN A 95 -2.541 -10.649 -5.116 1.00 0.00 H new ATOM 0 HA ASN A 95 -4.597 -12.476 -5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -2.596 -10.698 -7.380 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -3.715 -11.734 -8.244 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.469 -8.535 -8.172 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.142 -9.350 -9.007 1.00 0.00 H new ATOM 1435 N ARG A 96 -1.488 -13.396 -6.070 1.00 0.00 N ATOM 1436 CA ARG A 96 -0.594 -14.515 -6.340 1.00 0.00 C ATOM 1437 C ARG A 96 -0.394 -15.366 -5.088 1.00 0.00 C ATOM 1438 O ARG A 96 0.662 -15.322 -4.458 1.00 0.00 O ATOM 1439 CB ARG A 96 0.758 -14.006 -6.844 1.00 0.00 C ATOM 1440 CG ARG A 96 0.692 -13.359 -8.217 1.00 0.00 C ATOM 1441 CD ARG A 96 0.974 -14.364 -9.322 1.00 0.00 C ATOM 1442 NE ARG A 96 -0.234 -15.073 -9.738 1.00 0.00 N ATOM 1443 CZ ARG A 96 -0.637 -16.218 -9.199 1.00 0.00 C ATOM 1444 NH1 ARG A 96 0.067 -16.781 -8.227 1.00 0.00 N ATOM 1445 NH2 ARG A 96 -1.747 -16.802 -9.633 1.00 0.00 N ATOM 0 H ARG A 96 -1.062 -12.634 -5.542 1.00 0.00 H new ATOM 0 HA ARG A 96 -1.052 -15.135 -7.111 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.154 -13.284 -6.130 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.461 -14.839 -6.878 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.295 -12.920 -8.366 1.00 0.00 H new ATOM 0 HG3 ARG A 96 1.415 -12.545 -8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.405 -13.848 -10.180 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.716 -15.084 -8.977 1.00 0.00 H new ATOM 0 HE ARG A 96 -0.799 -14.666 -10.483 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.921 -16.335 -7.891 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -0.245 -17.660 -7.815 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -2.291 -16.371 -10.381 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.056 -17.681 -9.219 1.00 0.00 H new ATOM 1459 N SER A 97 -1.417 -16.137 -4.734 1.00 0.00 N ATOM 1460 CA SER A 97 -1.357 -16.994 -3.556 1.00 0.00 C ATOM 1461 C SER A 97 -1.404 -18.466 -3.952 1.00 0.00 C ATOM 1462 O SER A 97 -1.722 -18.805 -5.092 1.00 0.00 O ATOM 1463 CB SER A 97 -2.511 -16.673 -2.606 1.00 0.00 C ATOM 1464 OG SER A 97 -2.407 -17.419 -1.406 1.00 0.00 O ATOM 0 H SER A 97 -2.298 -16.186 -5.246 1.00 0.00 H new ATOM 0 HA SER A 97 -0.413 -16.803 -3.046 1.00 0.00 H new ATOM 0 HB2 SER A 97 -2.511 -15.607 -2.376 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.460 -16.894 -3.094 1.00 0.00 H new ATOM 0 HG SER A 97 -3.156 -17.194 -0.815 1.00 0.00 H new ATOM 1470 N GLY A 98 -1.084 -19.339 -3.001 1.00 0.00 N ATOM 1471 CA GLY A 98 -1.096 -20.765 -3.269 1.00 0.00 C ATOM 1472 C GLY A 98 -1.768 -21.557 -2.166 1.00 0.00 C ATOM 1473 O GLY A 98 -1.732 -21.184 -0.993 1.00 0.00 O ATOM 0 H GLY A 98 -0.817 -19.084 -2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.612 -20.950 -4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.072 -21.117 -3.392 1.00 0.00 H new ATOM 1477 N PRO A 99 -2.402 -22.679 -2.539 1.00 0.00 N ATOM 1478 CA PRO A 99 -3.099 -23.548 -1.587 1.00 0.00 C ATOM 1479 C PRO A 99 -2.137 -24.284 -0.660 1.00 0.00 C ATOM 1480 O PRO A 99 -1.264 -25.021 -1.116 1.00 0.00 O ATOM 1481 CB PRO A 99 -3.838 -24.541 -2.488 1.00 0.00 C ATOM 1482 CG PRO A 99 -3.044 -24.571 -3.748 1.00 0.00 C ATOM 1483 CD PRO A 99 -2.486 -23.186 -3.919 1.00 0.00 C ATOM 0 HA PRO A 99 -3.754 -22.983 -0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.891 -25.528 -2.029 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.863 -24.221 -2.673 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -2.244 -25.309 -3.688 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -3.669 -24.847 -4.597 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -1.508 -23.203 -4.401 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -3.135 -22.565 -4.536 1.00 0.00 H new ATOM 1491 N SER A 100 -2.303 -24.077 0.642 1.00 0.00 N ATOM 1492 CA SER A 100 -1.445 -24.718 1.633 1.00 0.00 C ATOM 1493 C SER A 100 -1.195 -26.179 1.271 1.00 0.00 C ATOM 1494 O SER A 100 -1.951 -26.778 0.505 1.00 0.00 O ATOM 1495 CB SER A 100 -2.079 -24.626 3.022 1.00 0.00 C ATOM 1496 OG SER A 100 -3.101 -25.595 3.181 1.00 0.00 O ATOM 0 H SER A 100 -3.023 -23.471 1.036 1.00 0.00 H new ATOM 0 HA SER A 100 -0.488 -24.196 1.643 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.314 -24.771 3.785 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.493 -23.629 3.171 1.00 0.00 H new ATOM 0 HG SER A 100 -3.489 -25.517 4.077 1.00 0.00 H new ATOM 1502 N SER A 101 -0.131 -26.746 1.828 1.00 0.00 N ATOM 1503 CA SER A 101 0.222 -28.136 1.562 1.00 0.00 C ATOM 1504 C SER A 101 1.037 -28.720 2.712 1.00 0.00 C ATOM 1505 O SER A 101 1.816 -28.017 3.356 1.00 0.00 O ATOM 1506 CB SER A 101 1.013 -28.242 0.256 1.00 0.00 C ATOM 1507 OG SER A 101 2.259 -27.577 0.360 1.00 0.00 O ATOM 0 H SER A 101 0.502 -26.265 2.467 1.00 0.00 H new ATOM 0 HA SER A 101 -0.701 -28.708 1.467 1.00 0.00 H new ATOM 0 HB2 SER A 101 1.177 -29.291 0.010 1.00 0.00 H new ATOM 0 HB3 SER A 101 0.434 -27.810 -0.560 1.00 0.00 H new ATOM 0 HG SER A 101 2.746 -27.661 -0.486 1.00 0.00 H new ATOM 1513 N GLY A 102 0.853 -30.012 2.965 1.00 0.00 N ATOM 1514 CA GLY A 102 1.577 -30.669 4.037 1.00 0.00 C ATOM 1515 C GLY A 102 3.035 -30.258 4.089 1.00 0.00 C ATOM 1516 O GLY A 102 3.838 -30.688 3.262 1.00 0.00 O ATOM 0 H GLY A 102 0.215 -30.616 2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 102 1.102 -30.434 4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 102 1.512 -31.749 3.907 1.00 0.00 H new TER 1520 GLY A 102