USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 743 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 72 THR OG1 : rot -61:sc= 0.0325 USER MOD Set 1.2: A 94 THR OG1 : rot 180:sc= 0.0316 USER MOD Set 2.1: A 68 SER OG : rot -123:sc= -0.12 USER MOD Set 2.2: A 71 THR OG1 : rot 60:sc= 1.19 USER MOD Set 3.1: A 44 SER OG : rot -21:sc= 1.98 USER MOD Set 3.2: A 49 HIS : no HE2:sc= -0.395 K(o=2.7,f=-0.51!) USER MOD Set 3.3: A 73 TYR OH : rot -97:sc= 1.1 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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00123 USER MOD Single : A 21 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.47) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.000327 USER MOD Single : A 58 ASN : amide:sc=-0.00119 X(o=-0.0012,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -52:sc= 0.562 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -140:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -176:sc= 1.14 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.0886 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.331 -31.285 4.019 1.00 0.00 N ATOM 2 CA GLY A 1 -10.322 -31.271 2.976 1.00 0.00 C ATOM 3 C GLY A 1 -10.258 -29.941 2.250 1.00 0.00 C ATOM 4 O GLY A 1 -11.190 -29.570 1.536 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.336 -32.215 4.485 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.116 -30.547 4.720 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.266 -31.103 3.600 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.348 -31.490 3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.534 -32.064 2.258 1.00 0.00 H new ATOM 8 N SER A 2 -9.155 -29.221 2.433 1.00 0.00 N ATOM 9 CA SER A 2 -8.976 -27.923 1.794 1.00 0.00 C ATOM 10 C SER A 2 -7.666 -27.878 1.013 1.00 0.00 C ATOM 11 O SER A 2 -6.939 -26.886 1.054 1.00 0.00 O ATOM 12 CB SER A 2 -8.996 -26.808 2.842 1.00 0.00 C ATOM 13 OG SER A 2 -10.306 -26.598 3.338 1.00 0.00 O ATOM 0 H SER A 2 -8.373 -29.515 3.018 1.00 0.00 H new ATOM 0 HA SER A 2 -9.800 -27.772 1.097 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.329 -27.066 3.665 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.618 -25.885 2.403 1.00 0.00 H new ATOM 0 HG SER A 2 -10.292 -25.882 4.007 1.00 0.00 H new ATOM 19 N SER A 3 -7.372 -28.962 0.301 1.00 0.00 N ATOM 20 CA SER A 3 -6.148 -29.050 -0.487 1.00 0.00 C ATOM 21 C SER A 3 -6.432 -29.634 -1.868 1.00 0.00 C ATOM 22 O SER A 3 -7.128 -30.641 -1.997 1.00 0.00 O ATOM 23 CB SER A 3 -5.109 -29.907 0.238 1.00 0.00 C ATOM 24 OG SER A 3 -3.814 -29.703 -0.300 1.00 0.00 O ATOM 0 H SER A 3 -7.965 -29.791 0.254 1.00 0.00 H new ATOM 0 HA SER A 3 -5.753 -28.042 -0.612 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.108 -29.662 1.300 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.379 -30.960 0.154 1.00 0.00 H new ATOM 0 HG SER A 3 -3.168 -30.261 0.182 1.00 0.00 H new ATOM 30 N GLY A 4 -5.887 -28.995 -2.898 1.00 0.00 N ATOM 31 CA GLY A 4 -6.092 -29.465 -4.256 1.00 0.00 C ATOM 32 C GLY A 4 -5.804 -28.395 -5.290 1.00 0.00 C ATOM 33 O GLY A 4 -5.096 -28.640 -6.266 1.00 0.00 O ATOM 0 H GLY A 4 -5.307 -28.160 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.449 -30.326 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.121 -29.806 -4.368 1.00 0.00 H new ATOM 37 N SER A 5 -6.355 -27.204 -5.076 1.00 0.00 N ATOM 38 CA SER A 5 -6.158 -26.094 -6.001 1.00 0.00 C ATOM 39 C SER A 5 -4.858 -25.356 -5.694 1.00 0.00 C ATOM 40 O SER A 5 -4.838 -24.130 -5.589 1.00 0.00 O ATOM 41 CB SER A 5 -7.339 -25.124 -5.925 1.00 0.00 C ATOM 42 OG SER A 5 -8.508 -25.699 -6.481 1.00 0.00 O ATOM 0 H SER A 5 -6.941 -26.983 -4.271 1.00 0.00 H new ATOM 0 HA SER A 5 -6.095 -26.500 -7.010 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.523 -24.851 -4.886 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.094 -24.205 -6.457 1.00 0.00 H new ATOM 0 HG SER A 5 -9.248 -25.060 -6.419 1.00 0.00 H new ATOM 48 N SER A 6 -3.775 -26.113 -5.551 1.00 0.00 N ATOM 49 CA SER A 6 -2.471 -25.532 -5.252 1.00 0.00 C ATOM 50 C SER A 6 -2.206 -24.312 -6.129 1.00 0.00 C ATOM 51 O SER A 6 -2.402 -24.352 -7.343 1.00 0.00 O ATOM 52 CB SER A 6 -1.367 -26.572 -5.458 1.00 0.00 C ATOM 53 OG SER A 6 -1.415 -27.571 -4.455 1.00 0.00 O ATOM 0 H SER A 6 -3.774 -27.129 -5.637 1.00 0.00 H new ATOM 0 HA SER A 6 -2.472 -25.215 -4.209 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.475 -27.033 -6.440 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.394 -26.082 -5.441 1.00 0.00 H new ATOM 0 HG SER A 6 -0.701 -28.224 -4.610 1.00 0.00 H new ATOM 59 N GLY A 7 -1.758 -23.227 -5.504 1.00 0.00 N ATOM 60 CA GLY A 7 -1.473 -22.010 -6.241 1.00 0.00 C ATOM 61 C GLY A 7 -2.607 -21.007 -6.164 1.00 0.00 C ATOM 62 O GLY A 7 -3.059 -20.490 -7.187 1.00 0.00 O ATOM 0 H GLY A 7 -1.587 -23.170 -4.500 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.563 -21.556 -5.849 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.281 -22.258 -7.285 1.00 0.00 H new ATOM 66 N LEU A 8 -3.070 -20.731 -4.950 1.00 0.00 N ATOM 67 CA LEU A 8 -4.160 -19.784 -4.744 1.00 0.00 C ATOM 68 C LEU A 8 -4.060 -18.618 -5.722 1.00 0.00 C ATOM 69 O LEU A 8 -2.967 -18.237 -6.139 1.00 0.00 O ATOM 70 CB LEU A 8 -4.142 -19.262 -3.306 1.00 0.00 C ATOM 71 CG LEU A 8 -3.050 -18.245 -2.974 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.514 -17.301 -1.876 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.768 -18.955 -2.564 1.00 0.00 C ATOM 0 H LEU A 8 -2.708 -21.150 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.101 -20.305 -4.924 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.110 -18.808 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.035 -20.113 -2.633 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.846 -17.655 -3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.723 -16.585 -1.654 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -4.405 -16.767 -2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.747 -17.874 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.001 -18.216 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.958 -19.570 -1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.425 -19.588 -3.382 1.00 0.00 H new ATOM 85 N ALA A 9 -5.209 -18.054 -6.081 1.00 0.00 N ATOM 86 CA ALA A 9 -5.251 -16.928 -7.006 1.00 0.00 C ATOM 87 C ALA A 9 -5.774 -15.672 -6.318 1.00 0.00 C ATOM 88 O ALA A 9 -6.648 -15.727 -5.453 1.00 0.00 O ATOM 89 CB ALA A 9 -6.112 -17.269 -8.213 1.00 0.00 C ATOM 0 H ALA A 9 -6.123 -18.359 -5.745 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.234 -16.728 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.135 -16.419 -8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.693 -18.135 -8.726 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.126 -17.497 -7.884 1.00 0.00 H new ATOM 95 N PRO A 10 -5.229 -14.511 -6.710 1.00 0.00 N ATOM 96 CA PRO A 10 -5.626 -13.218 -6.144 1.00 0.00 C ATOM 97 C PRO A 10 -7.035 -12.811 -6.562 1.00 0.00 C ATOM 98 O PRO A 10 -7.511 -13.154 -7.644 1.00 0.00 O ATOM 99 CB PRO A 10 -4.594 -12.246 -6.721 1.00 0.00 C ATOM 100 CG PRO A 10 -4.134 -12.888 -7.985 1.00 0.00 C ATOM 101 CD PRO A 10 -4.183 -14.370 -7.737 1.00 0.00 C ATOM 0 HA PRO A 10 -5.648 -13.239 -5.054 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -5.035 -11.268 -6.912 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -3.765 -12.093 -6.030 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.777 -12.610 -8.820 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.124 -12.568 -8.240 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -4.433 -14.921 -8.644 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.223 -14.751 -7.388 1.00 0.00 H new ATOM 109 N PRO A 11 -7.719 -12.060 -5.686 1.00 0.00 N ATOM 110 CA PRO A 11 -9.083 -11.588 -5.943 1.00 0.00 C ATOM 111 C PRO A 11 -9.133 -10.529 -7.040 1.00 0.00 C ATOM 112 O PRO A 11 -9.975 -10.590 -7.936 1.00 0.00 O ATOM 113 CB PRO A 11 -9.510 -10.988 -4.601 1.00 0.00 C ATOM 114 CG PRO A 11 -8.234 -10.600 -3.937 1.00 0.00 C ATOM 115 CD PRO A 11 -7.213 -11.613 -4.378 1.00 0.00 C ATOM 0 HA PRO A 11 -9.733 -12.390 -6.293 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.161 -10.125 -4.742 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.064 -11.711 -4.002 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.934 -9.593 -4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -8.342 -10.602 -2.852 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.219 -11.172 -4.461 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.137 -12.440 -3.672 1.00 0.00 H new ATOM 123 N ARG A 12 -8.226 -9.561 -6.963 1.00 0.00 N ATOM 124 CA ARG A 12 -8.168 -8.488 -7.948 1.00 0.00 C ATOM 125 C ARG A 12 -6.743 -7.965 -8.100 1.00 0.00 C ATOM 126 O ARG A 12 -5.810 -8.491 -7.492 1.00 0.00 O ATOM 127 CB ARG A 12 -9.102 -7.345 -7.545 1.00 0.00 C ATOM 128 CG ARG A 12 -10.565 -7.616 -7.853 1.00 0.00 C ATOM 129 CD ARG A 12 -10.836 -7.578 -9.349 1.00 0.00 C ATOM 130 NE ARG A 12 -12.265 -7.529 -9.646 1.00 0.00 N ATOM 131 CZ ARG A 12 -13.087 -8.558 -9.473 1.00 0.00 C ATOM 132 NH1 ARG A 12 -12.624 -9.710 -9.009 1.00 0.00 N ATOM 133 NH2 ARG A 12 -14.376 -8.436 -9.766 1.00 0.00 N ATOM 0 H ARG A 12 -7.521 -9.498 -6.228 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.492 -8.892 -8.907 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.993 -7.158 -6.477 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.793 -6.436 -8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.847 -8.591 -7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.187 -6.875 -7.351 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.345 -6.707 -9.784 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.398 -8.459 -9.819 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.653 -6.657 -10.006 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.634 -9.808 -8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.258 -10.498 -8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.736 -7.551 -10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.006 -9.227 -9.633 1.00 0.00 H new ATOM 147 N HIS A 13 -6.582 -6.928 -8.915 1.00 0.00 N ATOM 148 CA HIS A 13 -5.270 -6.334 -9.147 1.00 0.00 C ATOM 149 C HIS A 13 -5.113 -5.039 -8.356 1.00 0.00 C ATOM 150 O HIS A 13 -6.061 -4.561 -7.732 1.00 0.00 O ATOM 151 CB HIS A 13 -5.065 -6.063 -10.638 1.00 0.00 C ATOM 152 CG HIS A 13 -5.032 -7.306 -11.473 1.00 0.00 C ATOM 153 ND1 HIS A 13 -6.076 -7.693 -12.286 1.00 0.00 N ATOM 154 CD2 HIS A 13 -4.072 -8.248 -11.620 1.00 0.00 C ATOM 155 CE1 HIS A 13 -5.761 -8.822 -12.896 1.00 0.00 C ATOM 156 NE2 HIS A 13 -4.549 -9.180 -12.509 1.00 0.00 N ATOM 0 H HIS A 13 -7.343 -6.481 -9.426 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.513 -7.041 -8.807 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.867 -5.416 -10.995 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -4.131 -5.518 -10.775 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -3.110 -8.264 -11.130 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -6.387 -9.360 -13.592 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -4.049 -10.013 -12.820 1.00 0.00 H new ATOM 165 N LEU A 14 -3.910 -4.476 -8.385 1.00 0.00 N ATOM 166 CA LEU A 14 -3.628 -3.236 -7.670 1.00 0.00 C ATOM 167 C LEU A 14 -3.417 -2.082 -8.645 1.00 0.00 C ATOM 168 O LEU A 14 -3.482 -2.262 -9.860 1.00 0.00 O ATOM 169 CB LEU A 14 -2.391 -3.404 -6.786 1.00 0.00 C ATOM 170 CG LEU A 14 -2.628 -4.034 -5.413 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.306 -4.278 -4.702 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.534 -3.149 -4.569 1.00 0.00 C ATOM 0 H LEU A 14 -3.114 -4.858 -8.896 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.488 -3.004 -7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.665 -4.015 -7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.937 -2.424 -6.640 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.123 -4.995 -5.556 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.495 -4.727 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.691 -4.952 -5.299 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.783 -3.331 -4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.692 -3.613 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.067 -2.173 -4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.493 -3.026 -5.072 1.00 0.00 H new ATOM 184 N GLY A 15 -3.162 -0.895 -8.102 1.00 0.00 N ATOM 185 CA GLY A 15 -2.943 0.271 -8.938 1.00 0.00 C ATOM 186 C GLY A 15 -2.504 1.483 -8.139 1.00 0.00 C ATOM 187 O GLY A 15 -3.190 1.903 -7.207 1.00 0.00 O ATOM 0 H GLY A 15 -3.103 -0.720 -7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.186 0.040 -9.687 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.862 0.507 -9.475 1.00 0.00 H new ATOM 191 N PHE A 16 -1.357 2.046 -8.504 1.00 0.00 N ATOM 192 CA PHE A 16 -0.825 3.215 -7.813 1.00 0.00 C ATOM 193 C PHE A 16 -0.997 4.472 -8.661 1.00 0.00 C ATOM 194 O PHE A 16 -0.537 4.532 -9.801 1.00 0.00 O ATOM 195 CB PHE A 16 0.654 3.008 -7.480 1.00 0.00 C ATOM 196 CG PHE A 16 0.910 1.815 -6.604 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.664 1.874 -5.242 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.397 0.635 -7.143 1.00 0.00 C ATOM 199 CE1 PHE A 16 0.899 0.778 -4.433 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.632 -0.464 -6.339 1.00 0.00 C ATOM 201 CZ PHE A 16 1.384 -0.393 -4.983 1.00 0.00 C ATOM 0 H PHE A 16 -0.778 1.712 -9.274 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.384 3.344 -6.886 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.215 2.894 -8.408 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.035 3.901 -6.985 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.284 2.787 -4.807 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.595 0.574 -8.203 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.704 0.837 -3.372 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.010 -1.379 -6.772 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.569 -1.251 -4.353 1.00 0.00 H new ATOM 211 N SER A 17 -1.662 5.474 -8.095 1.00 0.00 N ATOM 212 CA SER A 17 -1.899 6.728 -8.799 1.00 0.00 C ATOM 213 C SER A 17 -1.564 7.922 -7.910 1.00 0.00 C ATOM 214 O SER A 17 -1.710 7.861 -6.689 1.00 0.00 O ATOM 215 CB SER A 17 -3.356 6.813 -9.259 1.00 0.00 C ATOM 216 OG SER A 17 -3.588 7.996 -10.004 1.00 0.00 O ATOM 0 H SER A 17 -2.046 5.441 -7.151 1.00 0.00 H new ATOM 0 HA SER A 17 -1.248 6.753 -9.673 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.600 5.942 -9.868 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.016 6.790 -8.392 1.00 0.00 H new ATOM 0 HG SER A 17 -4.526 8.025 -10.288 1.00 0.00 H new ATOM 222 N ASP A 18 -1.113 9.006 -8.532 1.00 0.00 N ATOM 223 CA ASP A 18 -0.757 10.216 -7.798 1.00 0.00 C ATOM 224 C ASP A 18 0.400 9.950 -6.841 1.00 0.00 C ATOM 225 O ASP A 18 0.408 10.436 -5.710 1.00 0.00 O ATOM 226 CB ASP A 18 -1.966 10.741 -7.023 1.00 0.00 C ATOM 227 CG ASP A 18 -2.853 11.634 -7.868 1.00 0.00 C ATOM 228 OD1 ASP A 18 -2.836 11.484 -9.108 1.00 0.00 O ATOM 229 OD2 ASP A 18 -3.563 12.485 -7.291 1.00 0.00 O ATOM 0 H ASP A 18 -0.985 9.072 -9.542 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.442 10.970 -8.519 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.551 9.899 -6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.621 11.297 -6.151 1.00 0.00 H new ATOM 234 N VAL A 19 1.377 9.174 -7.302 1.00 0.00 N ATOM 235 CA VAL A 19 2.539 8.844 -6.487 1.00 0.00 C ATOM 236 C VAL A 19 3.472 10.042 -6.349 1.00 0.00 C ATOM 237 O VAL A 19 3.817 10.690 -7.337 1.00 0.00 O ATOM 238 CB VAL A 19 3.325 7.661 -7.083 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.494 7.288 -6.184 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.407 6.468 -7.302 1.00 0.00 C ATOM 0 H VAL A 19 1.386 8.763 -8.235 1.00 0.00 H new ATOM 0 HA VAL A 19 2.165 8.563 -5.502 1.00 0.00 H new ATOM 0 HB VAL A 19 3.725 7.964 -8.050 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.037 6.450 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.164 8.142 -6.085 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.120 7.004 -5.200 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.979 5.641 -7.724 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.975 6.162 -6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.608 6.745 -7.990 1.00 0.00 H new ATOM 250 N SER A 20 3.879 10.329 -5.116 1.00 0.00 N ATOM 251 CA SER A 20 4.770 11.452 -4.848 1.00 0.00 C ATOM 252 C SER A 20 6.109 10.964 -4.302 1.00 0.00 C ATOM 253 O SER A 20 6.334 9.762 -4.162 1.00 0.00 O ATOM 254 CB SER A 20 4.123 12.418 -3.854 1.00 0.00 C ATOM 255 OG SER A 20 4.596 13.740 -4.045 1.00 0.00 O ATOM 0 H SER A 20 3.606 9.800 -4.288 1.00 0.00 H new ATOM 0 HA SER A 20 4.949 11.975 -5.788 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.040 12.395 -3.973 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.339 12.095 -2.836 1.00 0.00 H new ATOM 0 HG SER A 20 4.166 14.338 -3.399 1.00 0.00 H new ATOM 261 N HIS A 21 6.995 11.907 -3.997 1.00 0.00 N ATOM 262 CA HIS A 21 8.312 11.575 -3.466 1.00 0.00 C ATOM 263 C HIS A 21 8.242 11.309 -1.965 1.00 0.00 C ATOM 264 O HIS A 21 9.175 10.761 -1.377 1.00 0.00 O ATOM 265 CB HIS A 21 9.300 12.707 -3.749 1.00 0.00 C ATOM 266 CG HIS A 21 8.771 14.064 -3.402 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.248 14.931 -4.339 1.00 0.00 N ATOM 268 CD2 HIS A 21 8.684 14.703 -2.211 1.00 0.00 C ATOM 269 CE1 HIS A 21 7.865 16.044 -3.740 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.118 15.931 -2.448 1.00 0.00 N ATOM 0 H HIS A 21 6.825 12.906 -4.108 1.00 0.00 H new ATOM 0 HA HIS A 21 8.658 10.668 -3.962 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.216 12.528 -3.186 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.567 12.689 -4.806 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.001 14.318 -1.253 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.420 16.901 -4.224 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.924 16.641 -1.742 1.00 0.00 H new ATOM 279 N ASP A 22 7.131 11.701 -1.351 1.00 0.00 N ATOM 280 CA ASP A 22 6.939 11.505 0.081 1.00 0.00 C ATOM 281 C ASP A 22 5.547 10.951 0.372 1.00 0.00 C ATOM 282 O ASP A 22 5.038 11.079 1.485 1.00 0.00 O ATOM 283 CB ASP A 22 7.143 12.823 0.830 1.00 0.00 C ATOM 284 CG ASP A 22 7.555 12.610 2.274 1.00 0.00 C ATOM 285 OD1 ASP A 22 8.767 12.449 2.527 1.00 0.00 O ATOM 286 OD2 ASP A 22 6.665 12.605 3.150 1.00 0.00 O ATOM 0 H ASP A 22 6.350 12.156 -1.823 1.00 0.00 H new ATOM 0 HA ASP A 22 7.678 10.782 0.426 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.905 13.413 0.321 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.220 13.401 0.800 1.00 0.00 H new ATOM 291 N ALA A 23 4.938 10.337 -0.637 1.00 0.00 N ATOM 292 CA ALA A 23 3.606 9.763 -0.489 1.00 0.00 C ATOM 293 C ALA A 23 3.245 8.897 -1.691 1.00 0.00 C ATOM 294 O ALA A 23 3.884 8.977 -2.740 1.00 0.00 O ATOM 295 CB ALA A 23 2.574 10.865 -0.301 1.00 0.00 C ATOM 0 H ALA A 23 5.345 10.224 -1.565 1.00 0.00 H new ATOM 0 HA ALA A 23 3.608 9.127 0.396 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.584 10.422 -0.192 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.815 11.440 0.593 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.583 11.524 -1.169 1.00 0.00 H new ATOM 301 N ALA A 24 2.218 8.069 -1.531 1.00 0.00 N ATOM 302 CA ALA A 24 1.771 7.190 -2.605 1.00 0.00 C ATOM 303 C ALA A 24 0.368 6.659 -2.332 1.00 0.00 C ATOM 304 O ALA A 24 0.108 6.076 -1.279 1.00 0.00 O ATOM 305 CB ALA A 24 2.748 6.036 -2.783 1.00 0.00 C ATOM 0 H ALA A 24 1.680 7.988 -0.668 1.00 0.00 H new ATOM 0 HA ALA A 24 1.739 7.771 -3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.402 5.387 -3.588 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.734 6.429 -3.032 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.808 5.464 -1.857 1.00 0.00 H new ATOM 311 N ARG A 25 -0.534 6.867 -3.286 1.00 0.00 N ATOM 312 CA ARG A 25 -1.912 6.411 -3.147 1.00 0.00 C ATOM 313 C ARG A 25 -2.087 5.019 -3.746 1.00 0.00 C ATOM 314 O ARG A 25 -1.927 4.826 -4.952 1.00 0.00 O ATOM 315 CB ARG A 25 -2.868 7.395 -3.825 1.00 0.00 C ATOM 316 CG ARG A 25 -4.312 7.249 -3.374 1.00 0.00 C ATOM 317 CD ARG A 25 -5.162 8.420 -3.841 1.00 0.00 C ATOM 318 NE ARG A 25 -5.355 8.414 -5.288 1.00 0.00 N ATOM 319 CZ ARG A 25 -6.193 7.596 -5.914 1.00 0.00 C ATOM 320 NH1 ARG A 25 -6.913 6.723 -5.223 1.00 0.00 N ATOM 321 NH2 ARG A 25 -6.313 7.650 -7.235 1.00 0.00 N ATOM 0 H ARG A 25 -0.335 7.348 -4.163 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.147 6.362 -2.084 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.534 8.412 -3.621 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.817 7.253 -4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.725 6.319 -3.766 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.350 7.181 -2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.132 8.384 -3.346 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.687 9.354 -3.543 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.817 9.074 -5.849 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.824 6.679 -4.208 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.556 6.096 -5.707 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.761 8.320 -7.770 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.957 7.021 -7.715 1.00 0.00 H new ATOM 335 N VAL A 26 -2.417 4.051 -2.897 1.00 0.00 N ATOM 336 CA VAL A 26 -2.615 2.677 -3.343 1.00 0.00 C ATOM 337 C VAL A 26 -4.098 2.342 -3.447 1.00 0.00 C ATOM 338 O VAL A 26 -4.839 2.441 -2.469 1.00 0.00 O ATOM 339 CB VAL A 26 -1.939 1.675 -2.388 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.475 1.839 -0.974 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.141 0.250 -2.882 1.00 0.00 C ATOM 0 H VAL A 26 -2.553 4.193 -1.896 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.157 2.594 -4.329 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.869 1.881 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.986 1.123 -0.314 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.274 2.851 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.550 1.661 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.657 -0.445 -2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.207 0.029 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.703 0.144 -3.875 1.00 0.00 H new ATOM 351 N PHE A 27 -4.526 1.943 -4.641 1.00 0.00 N ATOM 352 CA PHE A 27 -5.922 1.593 -4.875 1.00 0.00 C ATOM 353 C PHE A 27 -6.036 0.215 -5.520 1.00 0.00 C ATOM 354 O PHE A 27 -5.077 -0.291 -6.102 1.00 0.00 O ATOM 355 CB PHE A 27 -6.591 2.642 -5.765 1.00 0.00 C ATOM 356 CG PHE A 27 -6.187 2.549 -7.208 1.00 0.00 C ATOM 357 CD1 PHE A 27 -6.689 1.544 -8.019 1.00 0.00 C ATOM 358 CD2 PHE A 27 -5.304 3.467 -7.755 1.00 0.00 C ATOM 359 CE1 PHE A 27 -6.318 1.456 -9.347 1.00 0.00 C ATOM 360 CE2 PHE A 27 -4.930 3.385 -9.083 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.438 2.378 -9.880 1.00 0.00 C ATOM 0 H PHE A 27 -3.926 1.854 -5.461 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.431 1.567 -3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.673 2.533 -5.691 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.345 3.635 -5.390 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.378 0.821 -7.608 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.903 4.256 -7.136 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.716 0.667 -9.968 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.242 4.107 -9.497 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.148 2.311 -10.918 1.00 0.00 H new ATOM 371 N TRP A 28 -7.215 -0.387 -5.410 1.00 0.00 N ATOM 372 CA TRP A 28 -7.455 -1.707 -5.982 1.00 0.00 C ATOM 373 C TRP A 28 -8.757 -1.728 -6.776 1.00 0.00 C ATOM 374 O TRP A 28 -9.536 -0.777 -6.731 1.00 0.00 O ATOM 375 CB TRP A 28 -7.500 -2.764 -4.877 1.00 0.00 C ATOM 376 CG TRP A 28 -8.202 -2.297 -3.638 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.479 -2.595 -3.257 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.665 -1.448 -2.618 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.769 -1.983 -2.062 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.673 -1.273 -1.648 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.432 -0.819 -2.427 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.482 -0.496 -0.509 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.245 -0.048 -1.296 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.265 0.108 -0.348 1.00 0.00 C ATOM 0 H TRP A 28 -8.019 0.018 -4.930 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.634 -1.936 -6.661 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.001 -3.655 -5.256 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.481 -3.056 -4.621 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.161 -3.220 -3.814 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.657 -2.047 -1.564 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.639 -0.934 -3.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.267 -0.374 0.222 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.296 0.443 -1.140 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -7.087 0.717 0.526 1.00 0.00 H new ATOM 395 N GLU A 29 -8.985 -2.818 -7.502 1.00 0.00 N ATOM 396 CA GLU A 29 -10.193 -2.960 -8.306 1.00 0.00 C ATOM 397 C GLU A 29 -11.361 -3.444 -7.452 1.00 0.00 C ATOM 398 O GLU A 29 -12.370 -3.918 -7.972 1.00 0.00 O ATOM 399 CB GLU A 29 -9.952 -3.935 -9.461 1.00 0.00 C ATOM 400 CG GLU A 29 -9.125 -3.347 -10.591 1.00 0.00 C ATOM 401 CD GLU A 29 -9.811 -2.177 -11.269 1.00 0.00 C ATOM 402 OE1 GLU A 29 -10.850 -2.397 -11.925 1.00 0.00 O ATOM 403 OE2 GLU A 29 -9.308 -1.041 -11.142 1.00 0.00 O ATOM 0 H GLU A 29 -8.350 -3.615 -7.550 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.445 -1.981 -8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.449 -4.822 -9.077 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.914 -4.261 -9.857 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.161 -3.021 -10.199 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.923 -4.123 -11.330 1.00 0.00 H new ATOM 410 N GLY A 30 -11.215 -3.322 -6.136 1.00 0.00 N ATOM 411 CA GLY A 30 -12.265 -3.752 -5.230 1.00 0.00 C ATOM 412 C GLY A 30 -12.300 -5.257 -5.057 1.00 0.00 C ATOM 413 O GLY A 30 -11.325 -5.946 -5.354 1.00 0.00 O ATOM 0 H GLY A 30 -10.389 -2.933 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.118 -3.281 -4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.229 -3.410 -5.607 1.00 0.00 H new ATOM 417 N ALA A 31 -13.427 -5.769 -4.573 1.00 0.00 N ATOM 418 CA ALA A 31 -13.585 -7.202 -4.360 1.00 0.00 C ATOM 419 C ALA A 31 -15.003 -7.653 -4.695 1.00 0.00 C ATOM 420 O ALA A 31 -15.963 -6.889 -4.598 1.00 0.00 O ATOM 421 CB ALA A 31 -13.240 -7.564 -2.923 1.00 0.00 C ATOM 0 H ALA A 31 -14.244 -5.212 -4.321 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.898 -7.721 -5.028 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.363 -8.637 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.207 -7.286 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.903 -7.029 -2.244 1.00 0.00 H new ATOM 427 N PRO A 32 -15.140 -8.925 -5.101 1.00 0.00 N ATOM 428 CA PRO A 32 -16.437 -9.506 -5.459 1.00 0.00 C ATOM 429 C PRO A 32 -17.344 -9.692 -4.247 1.00 0.00 C ATOM 430 O PRO A 32 -18.509 -10.066 -4.383 1.00 0.00 O ATOM 431 CB PRO A 32 -16.064 -10.863 -6.060 1.00 0.00 C ATOM 432 CG PRO A 32 -14.750 -11.202 -5.445 1.00 0.00 C ATOM 433 CD PRO A 32 -14.039 -9.893 -5.240 1.00 0.00 C ATOM 0 HA PRO A 32 -16.998 -8.863 -6.137 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.816 -11.618 -5.829 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.990 -10.808 -7.146 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.886 -11.725 -4.498 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.174 -11.862 -6.094 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -13.407 -9.914 -4.352 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -13.394 -9.649 -6.084 1.00 0.00 H new ATOM 441 N ARG A 33 -16.802 -9.427 -3.063 1.00 0.00 N ATOM 442 CA ARG A 33 -17.562 -9.566 -1.826 1.00 0.00 C ATOM 443 C ARG A 33 -17.287 -8.398 -0.884 1.00 0.00 C ATOM 444 O ARG A 33 -16.221 -7.781 -0.915 1.00 0.00 O ATOM 445 CB ARG A 33 -17.216 -10.885 -1.135 1.00 0.00 C ATOM 446 CG ARG A 33 -15.775 -10.962 -0.657 1.00 0.00 C ATOM 447 CD ARG A 33 -15.431 -12.353 -0.146 1.00 0.00 C ATOM 448 NE ARG A 33 -15.148 -13.282 -1.237 1.00 0.00 N ATOM 449 CZ ARG A 33 -15.211 -14.603 -1.111 1.00 0.00 C ATOM 450 NH1 ARG A 33 -15.545 -15.147 0.051 1.00 0.00 N ATOM 451 NH2 ARG A 33 -14.940 -15.383 -2.150 1.00 0.00 N ATOM 0 H ARG A 33 -15.840 -9.115 -2.934 1.00 0.00 H new ATOM 0 HA ARG A 33 -18.622 -9.564 -2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -17.881 -11.024 -0.282 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -17.406 -11.707 -1.825 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -15.105 -10.698 -1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.614 -10.232 0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.565 -12.293 0.513 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.260 -12.735 0.450 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.888 -12.896 -2.145 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.755 -14.551 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.592 -16.162 0.144 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.683 -14.968 -3.046 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.988 -16.397 -2.053 1.00 0.00 H new ATOM 465 N PRO A 34 -18.269 -8.084 -0.026 1.00 0.00 N ATOM 466 CA PRO A 34 -18.156 -6.988 0.941 1.00 0.00 C ATOM 467 C PRO A 34 -17.153 -7.294 2.048 1.00 0.00 C ATOM 468 O PRO A 34 -16.988 -8.446 2.450 1.00 0.00 O ATOM 469 CB PRO A 34 -19.570 -6.876 1.516 1.00 0.00 C ATOM 470 CG PRO A 34 -20.162 -8.230 1.334 1.00 0.00 C ATOM 471 CD PRO A 34 -19.566 -8.776 0.066 1.00 0.00 C ATOM 0 HA PRO A 34 -17.796 -6.070 0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.548 -6.592 2.568 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.151 -6.116 0.993 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.931 -8.874 2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -21.248 -8.174 1.262 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -19.442 -9.858 0.113 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -20.196 -8.565 -0.798 1.00 0.00 H new ATOM 479 N VAL A 35 -16.485 -6.255 2.538 1.00 0.00 N ATOM 480 CA VAL A 35 -15.499 -6.412 3.601 1.00 0.00 C ATOM 481 C VAL A 35 -15.856 -5.559 4.813 1.00 0.00 C ATOM 482 O VAL A 35 -16.534 -4.539 4.689 1.00 0.00 O ATOM 483 CB VAL A 35 -14.087 -6.030 3.117 1.00 0.00 C ATOM 484 CG1 VAL A 35 -13.041 -6.449 4.139 1.00 0.00 C ATOM 485 CG2 VAL A 35 -13.801 -6.658 1.762 1.00 0.00 C ATOM 0 H VAL A 35 -16.608 -5.295 2.216 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.506 -7.464 3.886 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.040 -4.947 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.050 -6.171 3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.237 -5.948 5.087 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -13.085 -7.529 4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.800 -6.378 1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.866 -7.743 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.532 -6.304 1.035 1.00 0.00 H new ATOM 495 N ARG A 36 -15.397 -5.985 5.985 1.00 0.00 N ATOM 496 CA ARG A 36 -15.669 -5.261 7.221 1.00 0.00 C ATOM 497 C ARG A 36 -14.563 -4.252 7.515 1.00 0.00 C ATOM 498 O ARG A 36 -14.831 -3.126 7.936 1.00 0.00 O ATOM 499 CB ARG A 36 -15.806 -6.238 8.390 1.00 0.00 C ATOM 500 CG ARG A 36 -14.550 -7.053 8.653 1.00 0.00 C ATOM 501 CD ARG A 36 -14.651 -7.825 9.960 1.00 0.00 C ATOM 502 NE ARG A 36 -13.517 -8.725 10.152 1.00 0.00 N ATOM 503 CZ ARG A 36 -13.528 -9.751 10.996 1.00 0.00 C ATOM 504 NH1 ARG A 36 -14.608 -10.006 11.720 1.00 0.00 N ATOM 505 NH2 ARG A 36 -12.456 -10.524 11.115 1.00 0.00 N ATOM 0 H ARG A 36 -14.835 -6.828 6.105 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.607 -4.720 7.096 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.062 -5.680 9.291 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.634 -6.917 8.190 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.387 -7.749 7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.685 -6.390 8.686 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.702 -7.123 10.793 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.577 -8.400 9.971 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.670 -8.557 9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -15.434 -9.414 11.630 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.614 -10.794 12.367 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.623 -10.330 10.558 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.465 -11.312 11.763 1.00 0.00 H new ATOM 519 N LEU A 37 -13.319 -4.663 7.291 1.00 0.00 N ATOM 520 CA LEU A 37 -12.172 -3.796 7.532 1.00 0.00 C ATOM 521 C LEU A 37 -11.083 -4.030 6.490 1.00 0.00 C ATOM 522 O LEU A 37 -10.979 -5.117 5.920 1.00 0.00 O ATOM 523 CB LEU A 37 -11.611 -4.037 8.935 1.00 0.00 C ATOM 524 CG LEU A 37 -10.383 -3.210 9.318 1.00 0.00 C ATOM 525 CD1 LEU A 37 -10.766 -1.754 9.532 1.00 0.00 C ATOM 526 CD2 LEU A 37 -9.725 -3.779 10.566 1.00 0.00 C ATOM 0 H LEU A 37 -13.080 -5.591 6.943 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.508 -2.762 7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.400 -3.836 9.660 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.356 -5.093 9.026 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.666 -3.259 8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.880 -1.181 9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.191 -1.351 8.613 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.502 -1.685 10.333 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.853 -3.178 10.824 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.435 -3.761 11.392 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.414 -4.807 10.377 1.00 0.00 H new ATOM 538 N VAL A 38 -10.273 -3.005 6.247 1.00 0.00 N ATOM 539 CA VAL A 38 -9.189 -3.101 5.275 1.00 0.00 C ATOM 540 C VAL A 38 -7.893 -2.533 5.841 1.00 0.00 C ATOM 541 O VAL A 38 -7.767 -1.324 6.040 1.00 0.00 O ATOM 542 CB VAL A 38 -9.537 -2.357 3.972 1.00 0.00 C ATOM 543 CG1 VAL A 38 -8.400 -2.477 2.969 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.835 -2.891 3.385 1.00 0.00 C ATOM 0 H VAL A 38 -10.346 -2.099 6.709 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.053 -4.160 5.055 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.676 -1.301 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.664 -1.945 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.494 -2.043 3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.226 -3.528 2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.066 -2.354 2.465 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.726 -3.954 3.168 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.644 -2.748 4.101 1.00 0.00 H new ATOM 554 N ARG A 39 -6.930 -3.413 6.098 1.00 0.00 N ATOM 555 CA ARG A 39 -5.642 -2.999 6.641 1.00 0.00 C ATOM 556 C ARG A 39 -4.586 -2.929 5.543 1.00 0.00 C ATOM 557 O ARG A 39 -4.544 -3.777 4.651 1.00 0.00 O ATOM 558 CB ARG A 39 -5.191 -3.968 7.736 1.00 0.00 C ATOM 559 CG ARG A 39 -5.616 -3.549 9.133 1.00 0.00 C ATOM 560 CD ARG A 39 -4.977 -4.428 10.197 1.00 0.00 C ATOM 561 NE ARG A 39 -5.109 -5.849 9.885 1.00 0.00 N ATOM 562 CZ ARG A 39 -4.288 -6.783 10.352 1.00 0.00 C ATOM 563 NH1 ARG A 39 -3.282 -6.449 11.148 1.00 0.00 N ATOM 564 NH2 ARG A 39 -4.473 -8.055 10.022 1.00 0.00 N ATOM 0 H ARG A 39 -7.018 -4.417 5.939 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.760 -2.004 7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.597 -4.957 7.523 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.105 -4.056 7.707 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.337 -2.509 9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.701 -3.605 9.217 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.921 -4.174 10.291 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.441 -4.224 11.162 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.873 -6.140 9.275 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.137 -5.472 11.404 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.653 -7.169 11.505 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.246 -8.316 9.410 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.842 -8.772 10.381 1.00 0.00 H new ATOM 578 N VAL A 40 -3.733 -1.911 5.613 1.00 0.00 N ATOM 579 CA VAL A 40 -2.676 -1.730 4.625 1.00 0.00 C ATOM 580 C VAL A 40 -1.323 -1.529 5.298 1.00 0.00 C ATOM 581 O VAL A 40 -1.162 -0.648 6.143 1.00 0.00 O ATOM 582 CB VAL A 40 -2.965 -0.526 3.708 1.00 0.00 C ATOM 583 CG1 VAL A 40 -1.841 -0.340 2.700 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.301 -0.702 3.003 1.00 0.00 C ATOM 0 H VAL A 40 -3.754 -1.200 6.344 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.647 -2.638 4.022 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.021 0.372 4.323 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.063 0.515 2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.904 -0.165 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.750 -1.237 2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.489 0.158 2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.277 -1.609 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.096 -0.781 3.744 1.00 0.00 H new ATOM 594 N THR A 41 -0.351 -2.352 4.918 1.00 0.00 N ATOM 595 CA THR A 41 0.989 -2.266 5.485 1.00 0.00 C ATOM 596 C THR A 41 2.032 -2.035 4.398 1.00 0.00 C ATOM 597 O THR A 41 2.154 -2.826 3.463 1.00 0.00 O ATOM 598 CB THR A 41 1.352 -3.543 6.266 1.00 0.00 C ATOM 599 OG1 THR A 41 1.194 -4.692 5.425 1.00 0.00 O ATOM 600 CG2 THR A 41 0.477 -3.689 7.502 1.00 0.00 C ATOM 0 H THR A 41 -0.467 -3.086 4.219 1.00 0.00 H new ATOM 0 HA THR A 41 0.988 -1.418 6.170 1.00 0.00 H new ATOM 0 HB THR A 41 2.392 -3.465 6.584 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.428 -5.500 5.928 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.752 -4.598 8.037 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.621 -2.827 8.153 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.569 -3.747 7.202 1.00 0.00 H new ATOM 608 N TYR A 42 2.783 -0.946 4.527 1.00 0.00 N ATOM 609 CA TYR A 42 3.815 -0.610 3.554 1.00 0.00 C ATOM 610 C TYR A 42 5.201 -0.656 4.192 1.00 0.00 C ATOM 611 O TYR A 42 5.377 -0.278 5.350 1.00 0.00 O ATOM 612 CB TYR A 42 3.558 0.778 2.966 1.00 0.00 C ATOM 613 CG TYR A 42 3.280 1.836 4.010 1.00 0.00 C ATOM 614 CD1 TYR A 42 2.018 1.966 4.576 1.00 0.00 C ATOM 615 CD2 TYR A 42 4.279 2.705 4.430 1.00 0.00 C ATOM 616 CE1 TYR A 42 1.759 2.932 5.529 1.00 0.00 C ATOM 617 CE2 TYR A 42 4.030 3.673 5.384 1.00 0.00 C ATOM 618 CZ TYR A 42 2.768 3.783 5.930 1.00 0.00 C ATOM 619 OH TYR A 42 2.515 4.745 6.880 1.00 0.00 O ATOM 0 H TYR A 42 2.696 -0.281 5.296 1.00 0.00 H new ATOM 0 HA TYR A 42 3.779 -1.349 2.754 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.424 1.080 2.377 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.711 0.723 2.282 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.226 1.301 4.266 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.268 2.623 4.003 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.772 3.021 5.958 1.00 0.00 H new ATOM 0 HE2 TYR A 42 4.819 4.340 5.700 1.00 0.00 H new ATOM 0 HH TYR A 42 3.332 5.259 7.050 1.00 0.00 H new ATOM 629 N VAL A 43 6.182 -1.122 3.426 1.00 0.00 N ATOM 630 CA VAL A 43 7.553 -1.217 3.914 1.00 0.00 C ATOM 631 C VAL A 43 8.550 -0.831 2.827 1.00 0.00 C ATOM 632 O VAL A 43 8.329 -1.094 1.645 1.00 0.00 O ATOM 633 CB VAL A 43 7.875 -2.639 4.410 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.872 -3.623 3.249 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.213 -2.660 5.134 1.00 0.00 C ATOM 0 H VAL A 43 6.053 -1.440 2.465 1.00 0.00 H new ATOM 0 HA VAL A 43 7.642 -0.521 4.748 1.00 0.00 H new ATOM 0 HB VAL A 43 7.101 -2.943 5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.101 -4.622 3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.889 -3.627 2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.623 -3.325 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.425 -3.672 5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.000 -2.336 4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.174 -1.987 5.990 1.00 0.00 H new ATOM 645 N SER A 44 9.650 -0.206 3.236 1.00 0.00 N ATOM 646 CA SER A 44 10.681 0.220 2.297 1.00 0.00 C ATOM 647 C SER A 44 11.291 -0.981 1.580 1.00 0.00 C ATOM 648 O SER A 44 10.948 -2.128 1.863 1.00 0.00 O ATOM 649 CB SER A 44 11.775 1.001 3.028 1.00 0.00 C ATOM 650 OG SER A 44 11.231 2.110 3.723 1.00 0.00 O ATOM 0 H SER A 44 9.850 0.016 4.211 1.00 0.00 H new ATOM 0 HA SER A 44 10.216 0.868 1.554 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.288 0.344 3.730 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.520 1.347 2.312 1.00 0.00 H new ATOM 0 HG SER A 44 10.359 2.340 3.340 1.00 0.00 H new ATOM 656 N SER A 45 12.199 -0.707 0.648 1.00 0.00 N ATOM 657 CA SER A 45 12.855 -1.763 -0.114 1.00 0.00 C ATOM 658 C SER A 45 13.763 -2.596 0.784 1.00 0.00 C ATOM 659 O SER A 45 13.663 -3.822 0.818 1.00 0.00 O ATOM 660 CB SER A 45 13.667 -1.162 -1.263 1.00 0.00 C ATOM 661 OG SER A 45 13.939 -2.134 -2.258 1.00 0.00 O ATOM 0 H SER A 45 12.497 0.237 0.403 1.00 0.00 H new ATOM 0 HA SER A 45 12.084 -2.414 -0.525 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.118 -0.330 -1.704 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.604 -0.759 -0.878 1.00 0.00 H new ATOM 0 HG SER A 45 14.457 -1.725 -2.982 1.00 0.00 H new ATOM 667 N GLU A 46 14.650 -1.921 1.509 1.00 0.00 N ATOM 668 CA GLU A 46 15.577 -2.600 2.407 1.00 0.00 C ATOM 669 C GLU A 46 14.924 -2.872 3.759 1.00 0.00 C ATOM 670 O GLU A 46 15.531 -2.660 4.808 1.00 0.00 O ATOM 671 CB GLU A 46 16.842 -1.761 2.599 1.00 0.00 C ATOM 672 CG GLU A 46 16.570 -0.361 3.124 1.00 0.00 C ATOM 673 CD GLU A 46 17.831 0.473 3.243 1.00 0.00 C ATOM 674 OE1 GLU A 46 18.542 0.330 4.260 1.00 0.00 O ATOM 675 OE2 GLU A 46 18.106 1.268 2.320 1.00 0.00 O ATOM 0 H GLU A 46 14.746 -0.906 1.492 1.00 0.00 H new ATOM 0 HA GLU A 46 15.847 -3.554 1.955 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.508 -2.276 3.291 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.367 -1.687 1.647 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.868 0.142 2.459 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.091 -0.430 4.101 1.00 0.00 H new ATOM 682 N GLY A 47 13.681 -3.344 3.726 1.00 0.00 N ATOM 683 CA GLY A 47 12.965 -3.637 4.953 1.00 0.00 C ATOM 684 C GLY A 47 13.246 -2.622 6.044 1.00 0.00 C ATOM 685 O GLY A 47 13.418 -2.983 7.208 1.00 0.00 O ATOM 0 H GLY A 47 13.157 -3.529 2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.895 -3.660 4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.244 -4.630 5.304 1.00 0.00 H new ATOM 689 N GLY A 48 13.293 -1.348 5.668 1.00 0.00 N ATOM 690 CA GLY A 48 13.556 -0.298 6.634 1.00 0.00 C ATOM 691 C GLY A 48 12.285 0.295 7.207 1.00 0.00 C ATOM 692 O GLY A 48 11.608 -0.336 8.020 1.00 0.00 O ATOM 0 H GLY A 48 13.154 -1.024 4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 48 14.164 -0.699 7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.139 0.491 6.159 1.00 0.00 H new ATOM 696 N HIS A 49 11.959 1.513 6.785 1.00 0.00 N ATOM 697 CA HIS A 49 10.760 2.192 7.263 1.00 0.00 C ATOM 698 C HIS A 49 9.503 1.439 6.839 1.00 0.00 C ATOM 699 O HIS A 49 9.421 0.927 5.722 1.00 0.00 O ATOM 700 CB HIS A 49 10.714 3.625 6.732 1.00 0.00 C ATOM 701 CG HIS A 49 9.376 4.280 6.891 1.00 0.00 C ATOM 702 ND1 HIS A 49 8.754 4.976 5.876 1.00 0.00 N ATOM 703 CD2 HIS A 49 8.541 4.341 7.954 1.00 0.00 C ATOM 704 CE1 HIS A 49 7.594 5.438 6.309 1.00 0.00 C ATOM 705 NE2 HIS A 49 7.441 5.066 7.567 1.00 0.00 N ATOM 0 H HIS A 49 12.508 2.049 6.113 1.00 0.00 H new ATOM 0 HA HIS A 49 10.797 2.217 8.352 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.465 4.220 7.251 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.984 3.621 5.676 1.00 0.00 H new ATOM 0 HD1 HIS A 49 9.130 5.113 4.938 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.709 3.901 8.926 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.891 6.021 5.732 1.00 0.00 H new ATOM 714 N SER A 50 8.526 1.374 7.738 1.00 0.00 N ATOM 715 CA SER A 50 7.275 0.679 7.458 1.00 0.00 C ATOM 716 C SER A 50 6.121 1.302 8.239 1.00 0.00 C ATOM 717 O SER A 50 6.334 2.044 9.196 1.00 0.00 O ATOM 718 CB SER A 50 7.401 -0.804 7.809 1.00 0.00 C ATOM 719 OG SER A 50 7.818 -0.977 9.152 1.00 0.00 O ATOM 0 H SER A 50 8.577 1.794 8.666 1.00 0.00 H new ATOM 0 HA SER A 50 7.065 0.776 6.393 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.442 -1.300 7.656 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.117 -1.280 7.139 1.00 0.00 H new ATOM 0 HG SER A 50 7.889 -1.934 9.352 1.00 0.00 H new ATOM 725 N GLY A 51 4.897 0.992 7.822 1.00 0.00 N ATOM 726 CA GLY A 51 3.727 1.529 8.492 1.00 0.00 C ATOM 727 C GLY A 51 2.506 0.648 8.321 1.00 0.00 C ATOM 728 O GLY A 51 2.558 -0.368 7.628 1.00 0.00 O ATOM 0 H GLY A 51 4.695 0.379 7.032 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.942 1.645 9.554 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.512 2.523 8.100 1.00 0.00 H new ATOM 732 N GLN A 52 1.404 1.037 8.954 1.00 0.00 N ATOM 733 CA GLN A 52 0.164 0.274 8.869 1.00 0.00 C ATOM 734 C GLN A 52 -1.046 1.171 9.105 1.00 0.00 C ATOM 735 O GLN A 52 -1.170 1.801 10.156 1.00 0.00 O ATOM 736 CB GLN A 52 0.174 -0.868 9.887 1.00 0.00 C ATOM 737 CG GLN A 52 -1.159 -1.589 10.004 1.00 0.00 C ATOM 738 CD GLN A 52 -1.216 -2.521 11.198 1.00 0.00 C ATOM 739 OE1 GLN A 52 -1.257 -2.077 12.346 1.00 0.00 O ATOM 740 NE2 GLN A 52 -1.217 -3.823 10.935 1.00 0.00 N ATOM 0 H GLN A 52 1.344 1.876 9.531 1.00 0.00 H new ATOM 0 HA GLN A 52 0.092 -0.143 7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.943 -1.587 9.606 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.450 -0.471 10.864 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.960 -0.854 10.084 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.340 -2.160 9.093 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.182 -4.148 9.969 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.253 -4.498 11.699 1.00 0.00 H new ATOM 749 N THR A 53 -1.937 1.227 8.120 1.00 0.00 N ATOM 750 CA THR A 53 -3.136 2.049 8.220 1.00 0.00 C ATOM 751 C THR A 53 -4.396 1.192 8.160 1.00 0.00 C ATOM 752 O THR A 53 -4.359 0.049 7.706 1.00 0.00 O ATOM 753 CB THR A 53 -3.191 3.102 7.097 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.193 4.081 7.391 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.492 2.448 5.756 1.00 0.00 C ATOM 0 H THR A 53 -1.850 0.712 7.244 1.00 0.00 H new ATOM 0 HA THR A 53 -3.091 2.558 9.183 1.00 0.00 H new ATOM 0 HB THR A 53 -2.217 3.587 7.037 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.220 4.747 6.673 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.526 3.211 4.978 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.711 1.725 5.521 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.455 1.939 5.807 1.00 0.00 H new ATOM 763 N GLU A 54 -5.510 1.754 8.620 1.00 0.00 N ATOM 764 CA GLU A 54 -6.781 1.039 8.618 1.00 0.00 C ATOM 765 C GLU A 54 -7.822 1.783 7.786 1.00 0.00 C ATOM 766 O GLU A 54 -7.940 3.005 7.869 1.00 0.00 O ATOM 767 CB GLU A 54 -7.291 0.858 10.049 1.00 0.00 C ATOM 768 CG GLU A 54 -6.676 -0.331 10.768 1.00 0.00 C ATOM 769 CD GLU A 54 -7.359 -0.631 12.088 1.00 0.00 C ATOM 770 OE1 GLU A 54 -8.607 -0.635 12.123 1.00 0.00 O ATOM 771 OE2 GLU A 54 -6.645 -0.862 13.087 1.00 0.00 O ATOM 0 H GLU A 54 -5.558 2.700 8.998 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.617 0.058 8.171 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.082 1.764 10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.374 0.738 10.027 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -6.734 -1.209 10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.619 -0.136 10.946 1.00 0.00 H new ATOM 778 N ALA A 55 -8.573 1.037 6.983 1.00 0.00 N ATOM 779 CA ALA A 55 -9.604 1.624 6.137 1.00 0.00 C ATOM 780 C ALA A 55 -10.862 0.762 6.126 1.00 0.00 C ATOM 781 O ALA A 55 -10.820 -0.444 6.372 1.00 0.00 O ATOM 782 CB ALA A 55 -9.080 1.815 4.721 1.00 0.00 C ATOM 0 H ALA A 55 -8.486 0.024 6.901 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.866 2.598 6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.861 2.254 4.100 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.215 2.478 4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.788 0.850 4.308 1.00 0.00 H new ATOM 788 N PRO A 56 -12.009 1.392 5.834 1.00 0.00 N ATOM 789 CA PRO A 56 -13.301 0.701 5.784 1.00 0.00 C ATOM 790 C PRO A 56 -13.406 -0.247 4.595 1.00 0.00 C ATOM 791 O PRO A 56 -12.897 0.040 3.512 1.00 0.00 O ATOM 792 CB PRO A 56 -14.310 1.844 5.647 1.00 0.00 C ATOM 793 CG PRO A 56 -13.542 2.954 5.016 1.00 0.00 C ATOM 794 CD PRO A 56 -12.134 2.828 5.530 1.00 0.00 C ATOM 0 HA PRO A 56 -13.462 0.075 6.662 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.160 1.550 5.031 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.708 2.140 6.618 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.569 2.878 3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.968 3.922 5.279 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.404 3.146 4.785 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.973 3.442 6.416 1.00 0.00 H new ATOM 802 N GLY A 57 -14.070 -1.380 4.803 1.00 0.00 N ATOM 803 CA GLY A 57 -14.229 -2.354 3.739 1.00 0.00 C ATOM 804 C GLY A 57 -14.784 -1.739 2.469 1.00 0.00 C ATOM 805 O GLY A 57 -14.699 -2.333 1.395 1.00 0.00 O ATOM 0 H GLY A 57 -14.501 -1.641 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.265 -2.814 3.525 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.894 -3.149 4.075 1.00 0.00 H new ATOM 809 N ASN A 58 -15.356 -0.545 2.593 1.00 0.00 N ATOM 810 CA ASN A 58 -15.930 0.149 1.446 1.00 0.00 C ATOM 811 C ASN A 58 -14.860 0.938 0.697 1.00 0.00 C ATOM 812 O ASN A 58 -14.918 1.077 -0.524 1.00 0.00 O ATOM 813 CB ASN A 58 -17.049 1.089 1.900 1.00 0.00 C ATOM 814 CG ASN A 58 -18.326 0.346 2.241 1.00 0.00 C ATOM 815 OD1 ASN A 58 -19.296 0.376 1.484 1.00 0.00 O ATOM 816 ND2 ASN A 58 -18.331 -0.326 3.387 1.00 0.00 N ATOM 0 H ASN A 58 -15.434 -0.039 3.475 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.345 -0.599 0.770 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -16.716 1.652 2.772 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.253 1.814 1.112 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.162 -0.845 3.670 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.504 -0.323 3.984 1.00 0.00 H new ATOM 823 N ALA A 59 -13.885 1.453 1.438 1.00 0.00 N ATOM 824 CA ALA A 59 -12.800 2.225 0.845 1.00 0.00 C ATOM 825 C ALA A 59 -12.004 1.382 -0.145 1.00 0.00 C ATOM 826 O ALA A 59 -11.368 0.397 0.231 1.00 0.00 O ATOM 827 CB ALA A 59 -11.886 2.772 1.931 1.00 0.00 C ATOM 0 H ALA A 59 -13.824 1.350 2.451 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.238 3.061 0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.080 3.346 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.458 3.417 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.463 1.945 2.501 1.00 0.00 H new ATOM 833 N THR A 60 -12.043 1.775 -1.415 1.00 0.00 N ATOM 834 CA THR A 60 -11.327 1.055 -2.460 1.00 0.00 C ATOM 835 C THR A 60 -10.002 1.735 -2.788 1.00 0.00 C ATOM 836 O THR A 60 -9.436 1.527 -3.861 1.00 0.00 O ATOM 837 CB THR A 60 -12.168 0.947 -3.746 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.613 2.247 -4.150 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.368 0.038 -3.533 1.00 0.00 C ATOM 0 H THR A 60 -12.563 2.588 -1.744 1.00 0.00 H new ATOM 0 HA THR A 60 -11.133 0.053 -2.077 1.00 0.00 H new ATOM 0 HB THR A 60 -11.542 0.518 -4.529 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.146 2.171 -4.969 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.947 -0.023 -4.455 1.00 0.00 H new ATOM 0 HG22 THR A 60 -13.025 -0.958 -3.254 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.994 0.442 -2.738 1.00 0.00 H new ATOM 847 N SER A 61 -9.513 2.548 -1.857 1.00 0.00 N ATOM 848 CA SER A 61 -8.256 3.261 -2.049 1.00 0.00 C ATOM 849 C SER A 61 -7.800 3.916 -0.749 1.00 0.00 C ATOM 850 O SER A 61 -8.616 4.393 0.039 1.00 0.00 O ATOM 851 CB SER A 61 -8.409 4.321 -3.141 1.00 0.00 C ATOM 852 OG SER A 61 -9.419 5.257 -2.806 1.00 0.00 O ATOM 0 H SER A 61 -9.968 2.729 -0.962 1.00 0.00 H new ATOM 0 HA SER A 61 -7.500 2.539 -2.357 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.461 4.840 -3.284 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.655 3.840 -4.088 1.00 0.00 H new ATOM 0 HG SER A 61 -9.496 5.925 -3.519 1.00 0.00 H new ATOM 858 N ALA A 62 -6.489 3.935 -0.532 1.00 0.00 N ATOM 859 CA ALA A 62 -5.922 4.533 0.671 1.00 0.00 C ATOM 860 C ALA A 62 -4.557 5.151 0.386 1.00 0.00 C ATOM 861 O ALA A 62 -3.769 4.608 -0.387 1.00 0.00 O ATOM 862 CB ALA A 62 -5.812 3.493 1.776 1.00 0.00 C ATOM 0 H ALA A 62 -5.799 3.543 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.590 5.328 1.001 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.387 3.953 2.668 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.803 3.101 2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.167 2.678 1.446 1.00 0.00 H new ATOM 868 N MET A 63 -4.286 6.290 1.014 1.00 0.00 N ATOM 869 CA MET A 63 -3.016 6.982 0.828 1.00 0.00 C ATOM 870 C MET A 63 -1.951 6.427 1.770 1.00 0.00 C ATOM 871 O MET A 63 -2.265 5.727 2.733 1.00 0.00 O ATOM 872 CB MET A 63 -3.189 8.484 1.062 1.00 0.00 C ATOM 873 CG MET A 63 -3.929 9.193 -0.060 1.00 0.00 C ATOM 874 SD MET A 63 -3.430 10.916 -0.241 1.00 0.00 S ATOM 875 CE MET A 63 -1.895 10.731 -1.146 1.00 0.00 C ATOM 0 H MET A 63 -4.929 6.754 1.656 1.00 0.00 H new ATOM 0 HA MET A 63 -2.689 6.818 -0.199 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.729 8.638 1.996 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.206 8.940 1.183 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.750 8.667 -0.998 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.001 9.147 0.131 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.463 11.714 -1.335 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.196 10.134 -0.559 1.00 0.00 H new ATOM 0 HE3 MET A 63 -2.090 10.232 -2.095 1.00 0.00 H new ATOM 885 N LEU A 64 -0.693 6.745 1.486 1.00 0.00 N ATOM 886 CA LEU A 64 0.418 6.278 2.308 1.00 0.00 C ATOM 887 C LEU A 64 1.462 7.376 2.486 1.00 0.00 C ATOM 888 O LEU A 64 1.717 8.158 1.572 1.00 0.00 O ATOM 889 CB LEU A 64 1.062 5.043 1.677 1.00 0.00 C ATOM 890 CG LEU A 64 0.112 3.899 1.321 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.780 2.930 0.358 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.344 3.173 2.578 1.00 0.00 C ATOM 0 H LEU A 64 -0.417 7.324 0.693 1.00 0.00 H new ATOM 0 HA LEU A 64 0.025 6.013 3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.582 5.352 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.818 4.661 2.363 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.765 4.321 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.089 2.123 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.056 3.457 -0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.675 2.515 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.019 2.362 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.523 2.764 3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.863 3.872 3.234 1.00 0.00 H new ATOM 904 N GLY A 65 2.066 7.425 3.670 1.00 0.00 N ATOM 905 CA GLY A 65 3.077 8.429 3.945 1.00 0.00 C ATOM 906 C GLY A 65 3.099 8.846 5.403 1.00 0.00 C ATOM 907 O GLY A 65 2.274 8.411 6.207 1.00 0.00 O ATOM 0 H GLY A 65 1.873 6.788 4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.056 8.040 3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.894 9.305 3.323 1.00 0.00 H new ATOM 911 N PRO A 66 4.062 9.708 5.762 1.00 0.00 N ATOM 912 CA PRO A 66 5.049 10.231 4.813 1.00 0.00 C ATOM 913 C PRO A 66 6.038 9.164 4.357 1.00 0.00 C ATOM 914 O PRO A 66 6.679 8.506 5.178 1.00 0.00 O ATOM 915 CB PRO A 66 5.768 11.320 5.614 1.00 0.00 C ATOM 916 CG PRO A 66 5.601 10.915 7.038 1.00 0.00 C ATOM 917 CD PRO A 66 4.261 10.237 7.121 1.00 0.00 C ATOM 0 HA PRO A 66 4.582 10.594 3.898 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.821 11.382 5.341 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.332 12.302 5.428 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.399 10.241 7.348 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.641 11.782 7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.259 9.442 7.866 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.473 10.937 7.399 1.00 0.00 H new ATOM 925 N LEU A 67 6.158 8.997 3.045 1.00 0.00 N ATOM 926 CA LEU A 67 7.070 8.010 2.479 1.00 0.00 C ATOM 927 C LEU A 67 8.388 8.658 2.069 1.00 0.00 C ATOM 928 O LEU A 67 8.568 9.867 2.213 1.00 0.00 O ATOM 929 CB LEU A 67 6.428 7.325 1.271 1.00 0.00 C ATOM 930 CG LEU A 67 4.984 6.856 1.455 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.477 6.182 0.190 1.00 0.00 C ATOM 932 CD2 LEU A 67 4.877 5.913 2.644 1.00 0.00 C ATOM 0 H LEU A 67 5.635 9.533 2.353 1.00 0.00 H new ATOM 0 HA LEU A 67 7.277 7.263 3.245 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.460 8.015 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.038 6.463 1.001 1.00 0.00 H new ATOM 0 HG LEU A 67 4.361 7.728 1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.448 5.855 0.339 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.516 6.888 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.103 5.319 -0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.843 5.589 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.513 5.043 2.477 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.199 6.430 3.548 1.00 0.00 H new ATOM 944 N SER A 68 9.307 7.846 1.555 1.00 0.00 N ATOM 945 CA SER A 68 10.610 8.340 1.125 1.00 0.00 C ATOM 946 C SER A 68 10.611 8.636 -0.372 1.00 0.00 C ATOM 947 O SER A 68 9.620 8.401 -1.063 1.00 0.00 O ATOM 948 CB SER A 68 11.700 7.320 1.456 1.00 0.00 C ATOM 949 OG SER A 68 12.991 7.866 1.246 1.00 0.00 O ATOM 0 H SER A 68 9.173 6.843 1.426 1.00 0.00 H new ATOM 0 HA SER A 68 10.815 9.267 1.661 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.601 7.001 2.494 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.572 6.432 0.836 1.00 0.00 H new ATOM 0 HG SER A 68 13.483 7.307 0.608 1.00 0.00 H new ATOM 955 N SER A 69 11.732 9.153 -0.865 1.00 0.00 N ATOM 956 CA SER A 69 11.863 9.485 -2.279 1.00 0.00 C ATOM 957 C SER A 69 12.787 8.498 -2.986 1.00 0.00 C ATOM 958 O SER A 69 13.700 7.940 -2.376 1.00 0.00 O ATOM 959 CB SER A 69 12.398 10.909 -2.443 1.00 0.00 C ATOM 960 OG SER A 69 13.559 11.111 -1.656 1.00 0.00 O ATOM 0 H SER A 69 12.562 9.351 -0.306 1.00 0.00 H new ATOM 0 HA SER A 69 10.875 9.421 -2.735 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.629 11.096 -3.492 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.629 11.625 -2.153 1.00 0.00 H new ATOM 0 HG SER A 69 13.882 12.028 -1.780 1.00 0.00 H new ATOM 966 N SER A 70 12.544 8.288 -4.275 1.00 0.00 N ATOM 967 CA SER A 70 13.351 7.365 -5.065 1.00 0.00 C ATOM 968 C SER A 70 13.613 6.075 -4.294 1.00 0.00 C ATOM 969 O SER A 70 14.650 5.434 -4.467 1.00 0.00 O ATOM 970 CB SER A 70 14.678 8.020 -5.453 1.00 0.00 C ATOM 971 OG SER A 70 15.386 7.223 -6.387 1.00 0.00 O ATOM 0 H SER A 70 11.795 8.744 -4.795 1.00 0.00 H new ATOM 0 HA SER A 70 12.796 7.119 -5.971 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.490 9.005 -5.880 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.288 8.170 -4.562 1.00 0.00 H new ATOM 0 HG SER A 70 15.459 6.307 -6.047 1.00 0.00 H new ATOM 977 N THR A 71 12.664 5.700 -3.442 1.00 0.00 N ATOM 978 CA THR A 71 12.791 4.487 -2.643 1.00 0.00 C ATOM 979 C THR A 71 11.610 3.552 -2.872 1.00 0.00 C ATOM 980 O THR A 71 10.453 3.947 -2.725 1.00 0.00 O ATOM 981 CB THR A 71 12.890 4.813 -1.140 1.00 0.00 C ATOM 982 OG1 THR A 71 14.044 5.622 -0.889 1.00 0.00 O ATOM 983 CG2 THR A 71 12.968 3.538 -0.314 1.00 0.00 C ATOM 0 H THR A 71 11.799 6.219 -3.287 1.00 0.00 H new ATOM 0 HA THR A 71 13.709 3.993 -2.962 1.00 0.00 H new ATOM 0 HB THR A 71 11.993 5.361 -0.850 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.974 6.458 -1.395 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.037 3.793 0.743 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.074 2.939 -0.485 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.849 2.967 -0.608 1.00 0.00 H new ATOM 991 N THR A 72 11.907 2.307 -3.232 1.00 0.00 N ATOM 992 CA THR A 72 10.870 1.315 -3.481 1.00 0.00 C ATOM 993 C THR A 72 10.166 0.917 -2.189 1.00 0.00 C ATOM 994 O THR A 72 10.804 0.754 -1.148 1.00 0.00 O ATOM 995 CB THR A 72 11.449 0.052 -4.146 1.00 0.00 C ATOM 996 OG1 THR A 72 12.141 0.405 -5.349 1.00 0.00 O ATOM 997 CG2 THR A 72 10.345 -0.946 -4.465 1.00 0.00 C ATOM 0 H THR A 72 12.859 1.962 -3.358 1.00 0.00 H new ATOM 0 HA THR A 72 10.149 1.776 -4.157 1.00 0.00 H new ATOM 0 HB THR A 72 12.147 -0.412 -3.448 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.516 0.828 -5.974 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.778 -1.830 -4.934 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.839 -1.235 -3.544 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.627 -0.489 -5.146 1.00 0.00 H new ATOM 1005 N TYR A 73 8.849 0.762 -2.261 1.00 0.00 N ATOM 1006 CA TYR A 73 8.059 0.385 -1.095 1.00 0.00 C ATOM 1007 C TYR A 73 7.075 -0.729 -1.441 1.00 0.00 C ATOM 1008 O TYR A 73 6.311 -0.624 -2.401 1.00 0.00 O ATOM 1009 CB TYR A 73 7.302 1.599 -0.552 1.00 0.00 C ATOM 1010 CG TYR A 73 8.077 2.381 0.484 1.00 0.00 C ATOM 1011 CD1 TYR A 73 9.057 3.291 0.106 1.00 0.00 C ATOM 1012 CD2 TYR A 73 7.829 2.211 1.841 1.00 0.00 C ATOM 1013 CE1 TYR A 73 9.768 4.008 1.049 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.534 2.925 2.790 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.502 3.821 2.390 1.00 0.00 C ATOM 1016 OH TYR A 73 10.208 4.533 3.333 1.00 0.00 O ATOM 0 H TYR A 73 8.306 0.892 -3.115 1.00 0.00 H new ATOM 0 HA TYR A 73 8.741 0.018 -0.328 1.00 0.00 H new ATOM 0 HB2 TYR A 73 7.050 2.260 -1.381 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.362 1.264 -0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.266 3.440 -0.943 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.072 1.509 2.159 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.527 4.710 0.738 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.328 2.782 3.840 1.00 0.00 H new ATOM 0 HH TYR A 73 10.947 3.985 3.671 1.00 0.00 H new ATOM 1026 N THR A 74 7.100 -1.797 -0.650 1.00 0.00 N ATOM 1027 CA THR A 74 6.212 -2.932 -0.871 1.00 0.00 C ATOM 1028 C THR A 74 4.891 -2.748 -0.132 1.00 0.00 C ATOM 1029 O THR A 74 4.822 -2.910 1.086 1.00 0.00 O ATOM 1030 CB THR A 74 6.863 -4.251 -0.416 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.118 -4.434 -1.080 1.00 0.00 O ATOM 1032 CG2 THR A 74 5.952 -5.434 -0.708 1.00 0.00 C ATOM 0 H THR A 74 7.725 -1.900 0.149 1.00 0.00 H new ATOM 0 HA THR A 74 6.022 -2.981 -1.943 1.00 0.00 H new ATOM 0 HB THR A 74 7.027 -4.196 0.660 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.526 -5.274 -0.783 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.434 -6.354 -0.378 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.009 -5.307 -0.176 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.760 -5.489 -1.779 1.00 0.00 H new ATOM 1040 N VAL A 75 3.844 -2.410 -0.877 1.00 0.00 N ATOM 1041 CA VAL A 75 2.524 -2.207 -0.293 1.00 0.00 C ATOM 1042 C VAL A 75 1.764 -3.524 -0.178 1.00 0.00 C ATOM 1043 O VAL A 75 2.004 -4.458 -0.942 1.00 0.00 O ATOM 1044 CB VAL A 75 1.688 -1.216 -1.125 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.325 -0.998 -0.485 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.429 0.103 -1.284 1.00 0.00 C ATOM 0 H VAL A 75 3.884 -2.271 -1.887 1.00 0.00 H new ATOM 0 HA VAL A 75 2.680 -1.793 0.703 1.00 0.00 H new ATOM 0 HB VAL A 75 1.533 -1.641 -2.117 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.251 -0.295 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.206 -1.948 -0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.455 -0.594 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.824 0.791 -1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.616 0.536 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.378 -0.072 -1.790 1.00 0.00 H new ATOM 1056 N ARG A 76 0.848 -3.590 0.782 1.00 0.00 N ATOM 1057 CA ARG A 76 0.053 -4.793 0.998 1.00 0.00 C ATOM 1058 C ARG A 76 -1.330 -4.442 1.537 1.00 0.00 C ATOM 1059 O ARG A 76 -1.467 -3.969 2.665 1.00 0.00 O ATOM 1060 CB ARG A 76 0.767 -5.734 1.971 1.00 0.00 C ATOM 1061 CG ARG A 76 1.688 -6.732 1.288 1.00 0.00 C ATOM 1062 CD ARG A 76 2.858 -7.113 2.182 1.00 0.00 C ATOM 1063 NE ARG A 76 2.473 -8.085 3.202 1.00 0.00 N ATOM 1064 CZ ARG A 76 3.230 -8.387 4.251 1.00 0.00 C ATOM 1065 NH1 ARG A 76 4.405 -7.797 4.418 1.00 0.00 N ATOM 1066 NH2 ARG A 76 2.811 -9.282 5.137 1.00 0.00 N ATOM 0 H ARG A 76 0.638 -2.825 1.423 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.067 -5.295 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.348 -5.140 2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.021 -6.278 2.550 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.124 -7.627 1.023 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.063 -6.305 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.661 -7.527 1.572 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.252 -6.218 2.664 1.00 0.00 H new ATOM 0 HE ARG A 76 1.574 -8.557 3.104 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.731 -7.108 3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.983 -8.032 5.225 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.907 -9.738 5.013 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.393 -9.513 5.942 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.354 -4.675 0.721 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.727 -4.384 1.115 1.00 0.00 C ATOM 1082 C VAL A 77 -4.415 -5.627 1.669 1.00 0.00 C ATOM 1083 O VAL A 77 -4.939 -6.448 0.915 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.548 -3.841 -0.069 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.989 -3.593 0.348 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.917 -2.569 -0.616 1.00 0.00 C ATOM 0 H VAL A 77 -2.258 -5.064 -0.217 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.678 -3.622 1.893 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.548 -4.590 -0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.553 -3.210 -0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.435 -4.528 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.013 -2.864 1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.510 -2.199 -1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.884 -1.813 0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.904 -2.783 -0.956 1.00 0.00 H new ATOM 1096 N THR A 78 -4.411 -5.760 2.991 1.00 0.00 N ATOM 1097 CA THR A 78 -5.035 -6.902 3.647 1.00 0.00 C ATOM 1098 C THR A 78 -6.548 -6.736 3.721 1.00 0.00 C ATOM 1099 O THR A 78 -7.053 -5.880 4.449 1.00 0.00 O ATOM 1100 CB THR A 78 -4.481 -7.104 5.070 1.00 0.00 C ATOM 1101 OG1 THR A 78 -3.050 -7.148 5.038 1.00 0.00 O ATOM 1102 CG2 THR A 78 -5.019 -8.388 5.683 1.00 0.00 C ATOM 0 H THR A 78 -3.982 -5.090 3.629 1.00 0.00 H new ATOM 0 HA THR A 78 -4.799 -7.780 3.045 1.00 0.00 H new ATOM 0 HB THR A 78 -4.804 -6.263 5.684 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.706 -7.275 5.947 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.614 -8.509 6.688 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.107 -8.339 5.734 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.722 -9.237 5.067 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.267 -7.558 2.965 1.00 0.00 N ATOM 1111 CA CYS A 79 -8.724 -7.501 2.945 1.00 0.00 C ATOM 1112 C CYS A 79 -9.322 -8.557 3.870 1.00 0.00 C ATOM 1113 O CYS A 79 -9.401 -9.734 3.516 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.244 -7.700 1.521 1.00 0.00 C ATOM 1115 SG CYS A 79 -8.728 -6.412 0.361 1.00 0.00 S ATOM 0 H CYS A 79 -6.865 -8.272 2.358 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.029 -6.517 3.301 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.900 -8.666 1.152 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.333 -7.737 1.545 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.215 -6.668 -0.817 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.740 -8.129 5.055 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.330 -9.038 6.033 1.00 0.00 C ATOM 1123 C LEU A 80 -11.853 -8.998 5.964 1.00 0.00 C ATOM 1124 O LEU A 80 -12.475 -8.002 6.333 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.862 -8.675 7.443 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.419 -9.046 7.788 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -7.852 -8.083 8.818 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -8.344 -10.479 8.296 1.00 0.00 C ATOM 0 H LEU A 80 -9.682 -7.158 5.363 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.001 -10.050 5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.982 -7.600 7.578 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.523 -9.162 8.160 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.818 -8.971 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.825 -8.363 9.051 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.870 -7.070 8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.454 -8.125 9.726 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.310 -10.726 8.537 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.959 -10.581 9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.709 -11.158 7.525 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.447 -10.088 5.490 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.898 -10.177 5.373 1.00 0.00 C ATOM 1142 C TYR A 81 -14.529 -10.568 6.706 1.00 0.00 C ATOM 1143 O TYR A 81 -13.920 -11.241 7.537 1.00 0.00 O ATOM 1144 CB TYR A 81 -14.282 -11.194 4.296 1.00 0.00 C ATOM 1145 CG TYR A 81 -13.571 -10.978 2.979 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -14.045 -10.057 2.054 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -12.424 -11.696 2.661 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -13.399 -9.858 0.849 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.771 -11.502 1.460 1.00 0.00 C ATOM 1150 CZ TYR A 81 -12.262 -10.583 0.557 1.00 0.00 C ATOM 1151 OH TYR A 81 -11.615 -10.386 -0.642 1.00 0.00 O ATOM 0 H TYR A 81 -11.947 -10.921 5.181 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.275 -9.195 5.087 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -14.059 -12.197 4.659 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -15.358 -11.147 4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.934 -9.487 2.280 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.037 -12.418 3.365 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.782 -9.139 0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.880 -12.067 1.229 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.832 -10.973 -0.691 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.782 -10.137 6.915 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.525 -10.430 8.144 1.00 0.00 C ATOM 1163 C PRO A 82 -16.910 -11.901 8.252 1.00 0.00 C ATOM 1164 O PRO A 82 -17.385 -12.501 7.288 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.777 -9.558 8.018 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.954 -9.359 6.552 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.569 -9.330 5.968 1.00 0.00 C ATOM 0 HA PRO A 82 -15.934 -10.225 9.036 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.646 -10.047 8.459 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.650 -8.606 8.534 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.544 -10.166 6.117 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.484 -8.429 6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.547 -9.754 4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -16.186 -8.312 5.892 1.00 0.00 H new ATOM 1175 N GLY A 83 -16.701 -12.478 9.432 1.00 0.00 N ATOM 1176 CA GLY A 83 -17.032 -13.875 9.643 1.00 0.00 C ATOM 1177 C GLY A 83 -15.834 -14.788 9.468 1.00 0.00 C ATOM 1178 O GLY A 83 -15.224 -15.217 10.446 1.00 0.00 O ATOM 0 H GLY A 83 -16.309 -12.003 10.245 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -17.438 -14.001 10.647 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.814 -14.169 8.944 1.00 0.00 H new ATOM 1182 N GLY A 84 -15.497 -15.086 8.217 1.00 0.00 N ATOM 1183 CA GLY A 84 -14.367 -15.953 7.940 1.00 0.00 C ATOM 1184 C GLY A 84 -13.792 -15.732 6.555 1.00 0.00 C ATOM 1185 O GLY A 84 -14.507 -15.819 5.558 1.00 0.00 O ATOM 0 H GLY A 84 -15.986 -14.742 7.391 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.590 -15.780 8.684 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -14.678 -16.993 8.039 1.00 0.00 H new ATOM 1189 N GLY A 85 -12.496 -15.444 6.493 1.00 0.00 N ATOM 1190 CA GLY A 85 -11.848 -15.212 5.215 1.00 0.00 C ATOM 1191 C GLY A 85 -10.994 -13.960 5.217 1.00 0.00 C ATOM 1192 O GLY A 85 -11.190 -13.067 6.042 1.00 0.00 O ATOM 0 H GLY A 85 -11.883 -15.367 7.305 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.226 -16.072 4.965 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.606 -15.130 4.436 1.00 0.00 H new ATOM 1196 N SER A 86 -10.042 -13.893 4.292 1.00 0.00 N ATOM 1197 CA SER A 86 -9.151 -12.743 4.193 1.00 0.00 C ATOM 1198 C SER A 86 -8.251 -12.857 2.966 1.00 0.00 C ATOM 1199 O SER A 86 -8.265 -13.868 2.264 1.00 0.00 O ATOM 1200 CB SER A 86 -8.297 -12.623 5.457 1.00 0.00 C ATOM 1201 OG SER A 86 -7.499 -13.779 5.645 1.00 0.00 O ATOM 0 H SER A 86 -9.868 -14.622 3.600 1.00 0.00 H new ATOM 0 HA SER A 86 -9.764 -11.847 4.090 1.00 0.00 H new ATOM 0 HB2 SER A 86 -7.657 -11.743 5.385 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.942 -12.478 6.323 1.00 0.00 H new ATOM 0 HG SER A 86 -6.962 -13.677 6.458 1.00 0.00 H new ATOM 1207 N SER A 87 -7.469 -11.812 2.715 1.00 0.00 N ATOM 1208 CA SER A 87 -6.565 -11.791 1.571 1.00 0.00 C ATOM 1209 C SER A 87 -5.488 -10.725 1.749 1.00 0.00 C ATOM 1210 O SER A 87 -5.595 -9.855 2.614 1.00 0.00 O ATOM 1211 CB SER A 87 -7.345 -11.533 0.281 1.00 0.00 C ATOM 1212 OG SER A 87 -6.605 -11.945 -0.854 1.00 0.00 O ATOM 0 H SER A 87 -7.443 -10.969 3.288 1.00 0.00 H new ATOM 0 HA SER A 87 -6.081 -12.765 1.505 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.294 -12.068 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.579 -10.472 0.200 1.00 0.00 H new ATOM 0 HG SER A 87 -6.723 -11.293 -1.576 1.00 0.00 H new ATOM 1218 N THR A 88 -4.448 -10.800 0.924 1.00 0.00 N ATOM 1219 CA THR A 88 -3.350 -9.843 0.990 1.00 0.00 C ATOM 1220 C THR A 88 -2.870 -9.461 -0.406 1.00 0.00 C ATOM 1221 O THR A 88 -2.191 -10.241 -1.075 1.00 0.00 O ATOM 1222 CB THR A 88 -2.162 -10.406 1.793 1.00 0.00 C ATOM 1223 OG1 THR A 88 -2.630 -10.995 3.011 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.155 -9.311 2.108 1.00 0.00 C ATOM 0 H THR A 88 -4.343 -11.513 0.203 1.00 0.00 H new ATOM 0 HA THR A 88 -3.733 -8.956 1.495 1.00 0.00 H new ATOM 0 HB THR A 88 -1.670 -11.167 1.187 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.869 -11.352 3.515 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.325 -9.732 2.675 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.779 -8.884 1.178 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.638 -8.531 2.696 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.225 -8.257 -0.839 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.829 -7.771 -2.156 1.00 0.00 C ATOM 1234 C LEU A 89 -1.521 -6.990 -2.078 1.00 0.00 C ATOM 1235 O LEU A 89 -1.496 -5.840 -1.639 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.929 -6.887 -2.747 1.00 0.00 C ATOM 1237 CG LEU A 89 -5.102 -7.620 -3.399 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.338 -6.734 -3.425 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.735 -8.068 -4.807 1.00 0.00 C ATOM 0 H LEU A 89 -3.786 -7.599 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.677 -8.634 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.320 -6.250 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.479 -6.230 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.327 -8.505 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.162 -7.273 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.613 -6.464 -2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.126 -5.830 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.582 -8.588 -5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.482 -7.197 -5.412 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.878 -8.740 -4.763 1.00 0.00 H new ATOM 1251 N THR A 90 -0.434 -7.622 -2.509 1.00 0.00 N ATOM 1252 CA THR A 90 0.878 -6.988 -2.489 1.00 0.00 C ATOM 1253 C THR A 90 1.109 -6.162 -3.749 1.00 0.00 C ATOM 1254 O THR A 90 0.668 -6.534 -4.836 1.00 0.00 O ATOM 1255 CB THR A 90 2.004 -8.030 -2.358 1.00 0.00 C ATOM 1256 OG1 THR A 90 2.258 -8.638 -3.630 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.636 -9.101 -1.343 1.00 0.00 C ATOM 0 H THR A 90 -0.437 -8.573 -2.877 1.00 0.00 H new ATOM 0 HA THR A 90 0.898 -6.332 -1.619 1.00 0.00 H new ATOM 0 HB THR A 90 2.903 -7.520 -2.013 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.976 -9.298 -3.539 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.447 -9.825 -1.268 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.471 -8.639 -0.370 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.725 -9.608 -1.663 1.00 0.00 H new ATOM 1265 N GLY A 91 1.803 -5.038 -3.596 1.00 0.00 N ATOM 1266 CA GLY A 91 2.080 -4.177 -4.731 1.00 0.00 C ATOM 1267 C GLY A 91 3.287 -3.289 -4.503 1.00 0.00 C ATOM 1268 O GLY A 91 3.350 -2.557 -3.515 1.00 0.00 O ATOM 0 H GLY A 91 2.178 -4.709 -2.707 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.246 -4.790 -5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.208 -3.555 -4.933 1.00 0.00 H new ATOM 1272 N ARG A 92 4.248 -3.353 -5.419 1.00 0.00 N ATOM 1273 CA ARG A 92 5.461 -2.550 -5.311 1.00 0.00 C ATOM 1274 C ARG A 92 5.247 -1.161 -5.904 1.00 0.00 C ATOM 1275 O ARG A 92 4.536 -1.001 -6.897 1.00 0.00 O ATOM 1276 CB ARG A 92 6.623 -3.246 -6.022 1.00 0.00 C ATOM 1277 CG ARG A 92 7.404 -4.194 -5.126 1.00 0.00 C ATOM 1278 CD ARG A 92 8.569 -3.488 -4.449 1.00 0.00 C ATOM 1279 NE ARG A 92 9.576 -4.430 -3.970 1.00 0.00 N ATOM 1280 CZ ARG A 92 10.459 -5.028 -4.763 1.00 0.00 C ATOM 1281 NH1 ARG A 92 10.458 -4.782 -6.066 1.00 0.00 N ATOM 1282 NH2 ARG A 92 11.346 -5.873 -4.253 1.00 0.00 N ATOM 0 H ARG A 92 4.210 -3.952 -6.244 1.00 0.00 H new ATOM 0 HA ARG A 92 5.703 -2.442 -4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.235 -3.802 -6.875 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.302 -2.490 -6.417 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.740 -4.611 -4.369 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.778 -5.030 -5.717 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.028 -2.792 -5.151 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.198 -2.897 -3.612 1.00 0.00 H new ATOM 0 HE ARG A 92 9.603 -4.641 -2.972 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.778 -4.132 -6.462 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.137 -5.242 -6.672 1.00 0.00 H new ATOM 0 HH21 ARG A 92 11.351 -6.064 -3.251 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.023 -6.331 -4.863 1.00 0.00 H new ATOM 1296 N VAL A 93 5.866 -0.159 -5.289 1.00 0.00 N ATOM 1297 CA VAL A 93 5.744 1.217 -5.756 1.00 0.00 C ATOM 1298 C VAL A 93 6.995 2.023 -5.425 1.00 0.00 C ATOM 1299 O VAL A 93 7.413 2.097 -4.269 1.00 0.00 O ATOM 1300 CB VAL A 93 4.519 1.915 -5.134 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.643 1.962 -3.619 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.355 3.314 -5.707 1.00 0.00 C ATOM 0 H VAL A 93 6.457 -0.274 -4.466 1.00 0.00 H new ATOM 0 HA VAL A 93 5.618 1.173 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 93 3.629 1.338 -5.384 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.769 2.458 -3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.708 0.947 -3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.542 2.515 -3.344 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.485 3.792 -5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.246 3.903 -5.490 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.216 3.251 -6.786 1.00 0.00 H new ATOM 1312 N THR A 94 7.592 2.626 -6.449 1.00 0.00 N ATOM 1313 CA THR A 94 8.797 3.426 -6.268 1.00 0.00 C ATOM 1314 C THR A 94 8.460 4.908 -6.155 1.00 0.00 C ATOM 1315 O THR A 94 8.061 5.542 -7.133 1.00 0.00 O ATOM 1316 CB THR A 94 9.786 3.222 -7.431 1.00 0.00 C ATOM 1317 OG1 THR A 94 10.150 1.841 -7.528 1.00 0.00 O ATOM 1318 CG2 THR A 94 11.034 4.069 -7.234 1.00 0.00 C ATOM 0 H THR A 94 7.260 2.575 -7.412 1.00 0.00 H new ATOM 0 HA THR A 94 9.264 3.091 -5.342 1.00 0.00 H new ATOM 0 HB THR A 94 9.297 3.533 -8.354 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.778 1.720 -8.271 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.718 3.909 -8.067 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.756 5.122 -7.190 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.524 3.784 -6.303 1.00 0.00 H new ATOM 1326 N THR A 95 8.625 5.459 -4.956 1.00 0.00 N ATOM 1327 CA THR A 95 8.339 6.867 -4.716 1.00 0.00 C ATOM 1328 C THR A 95 9.125 7.759 -5.669 1.00 0.00 C ATOM 1329 O THR A 95 10.152 7.352 -6.212 1.00 0.00 O ATOM 1330 CB THR A 95 8.670 7.268 -3.266 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.916 6.686 -2.869 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.569 6.820 -2.316 1.00 0.00 C ATOM 0 H THR A 95 8.956 4.950 -4.136 1.00 0.00 H new ATOM 0 HA THR A 95 7.272 7.006 -4.890 1.00 0.00 H new ATOM 0 HB THR A 95 8.747 8.354 -3.221 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.089 6.895 -1.927 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.825 7.114 -1.298 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.628 7.288 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.465 5.736 -2.365 1.00 0.00 H new ATOM 1340 N LYS A 96 8.637 8.979 -5.870 1.00 0.00 N ATOM 1341 CA LYS A 96 9.296 9.930 -6.757 1.00 0.00 C ATOM 1342 C LYS A 96 10.519 10.545 -6.084 1.00 0.00 C ATOM 1343 O LYS A 96 10.747 10.351 -4.890 1.00 0.00 O ATOM 1344 CB LYS A 96 8.319 11.034 -7.169 1.00 0.00 C ATOM 1345 CG LYS A 96 7.030 10.510 -7.778 1.00 0.00 C ATOM 1346 CD LYS A 96 6.447 11.491 -8.780 1.00 0.00 C ATOM 1347 CE LYS A 96 5.651 10.777 -9.862 1.00 0.00 C ATOM 1348 NZ LYS A 96 5.147 11.722 -10.896 1.00 0.00 N ATOM 0 H LYS A 96 7.787 9.332 -5.430 1.00 0.00 H new ATOM 0 HA LYS A 96 9.625 9.392 -7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.078 11.639 -6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.809 11.692 -7.887 1.00 0.00 H new ATOM 0 HG2 LYS A 96 7.221 9.556 -8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.304 10.321 -6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.803 12.202 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.252 12.066 -9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.278 10.022 -10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.810 10.253 -9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.610 11.196 -11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.528 12.428 -10.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.951 12.203 -11.348 1.00 0.00 H new ATOM 1362 N LYS A 97 11.304 11.287 -6.858 1.00 0.00 N ATOM 1363 CA LYS A 97 12.503 11.932 -6.338 1.00 0.00 C ATOM 1364 C LYS A 97 12.176 13.309 -5.767 1.00 0.00 C ATOM 1365 O LYS A 97 11.452 14.090 -6.383 1.00 0.00 O ATOM 1366 CB LYS A 97 13.556 12.063 -7.440 1.00 0.00 C ATOM 1367 CG LYS A 97 14.453 10.843 -7.572 1.00 0.00 C ATOM 1368 CD LYS A 97 15.304 10.911 -8.829 1.00 0.00 C ATOM 1369 CE LYS A 97 16.085 9.623 -9.043 1.00 0.00 C ATOM 1370 NZ LYS A 97 17.216 9.812 -9.993 1.00 0.00 N ATOM 0 H LYS A 97 11.131 11.456 -7.849 1.00 0.00 H new ATOM 0 HA LYS A 97 12.901 11.310 -5.536 1.00 0.00 H new ATOM 0 HB2 LYS A 97 13.054 12.239 -8.391 1.00 0.00 H new ATOM 0 HB3 LYS A 97 14.174 12.938 -7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.099 10.769 -6.697 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.841 9.941 -7.594 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.666 11.098 -9.692 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.996 11.750 -8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 97 16.469 9.268 -8.087 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.416 8.851 -9.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.723 8.912 -10.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.847 10.126 -10.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.868 10.530 -9.618 1.00 0.00 H new ATOM 1384 N ALA A 98 12.716 13.599 -4.588 1.00 0.00 N ATOM 1385 CA ALA A 98 12.484 14.882 -3.937 1.00 0.00 C ATOM 1386 C ALA A 98 13.425 15.952 -4.481 1.00 0.00 C ATOM 1387 O ALA A 98 14.581 15.686 -4.810 1.00 0.00 O ATOM 1388 CB ALA A 98 12.649 14.747 -2.430 1.00 0.00 C ATOM 0 H ALA A 98 13.317 12.963 -4.064 1.00 0.00 H new ATOM 0 HA ALA A 98 11.461 15.191 -4.153 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.473 15.713 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.932 14.020 -2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.661 14.411 -2.203 1.00 0.00 H new ATOM 1394 N PRO A 99 12.921 17.191 -4.579 1.00 0.00 N ATOM 1395 CA PRO A 99 13.701 18.325 -5.083 1.00 0.00 C ATOM 1396 C PRO A 99 14.804 18.745 -4.117 1.00 0.00 C ATOM 1397 O PRO A 99 15.893 19.136 -4.536 1.00 0.00 O ATOM 1398 CB PRO A 99 12.659 19.438 -5.221 1.00 0.00 C ATOM 1399 CG PRO A 99 11.592 19.082 -4.243 1.00 0.00 C ATOM 1400 CD PRO A 99 11.551 17.580 -4.205 1.00 0.00 C ATOM 0 HA PRO A 99 14.215 18.085 -6.014 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.090 20.414 -4.998 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.265 19.488 -6.236 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.813 19.492 -3.257 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.629 19.491 -4.549 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.285 17.210 -3.215 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.815 17.180 -4.903 1.00 0.00 H new ATOM 1408 N SER A 100 14.514 18.661 -2.822 1.00 0.00 N ATOM 1409 CA SER A 100 15.481 19.036 -1.797 1.00 0.00 C ATOM 1410 C SER A 100 16.081 20.407 -2.092 1.00 0.00 C ATOM 1411 O SER A 100 17.298 20.576 -2.174 1.00 0.00 O ATOM 1412 CB SER A 100 16.593 17.989 -1.708 1.00 0.00 C ATOM 1413 OG SER A 100 16.104 16.770 -1.175 1.00 0.00 O ATOM 0 H SER A 100 13.618 18.337 -2.458 1.00 0.00 H new ATOM 0 HA SER A 100 14.960 19.085 -0.841 1.00 0.00 H new ATOM 0 HB2 SER A 100 17.012 17.814 -2.699 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.402 18.365 -1.081 1.00 0.00 H new ATOM 0 HG SER A 100 16.833 16.117 -1.130 1.00 0.00 H new ATOM 1419 N PRO A 101 15.207 21.412 -2.254 1.00 0.00 N ATOM 1420 CA PRO A 101 15.627 22.787 -2.541 1.00 0.00 C ATOM 1421 C PRO A 101 16.312 23.445 -1.348 1.00 0.00 C ATOM 1422 O PRO A 101 17.403 24.001 -1.476 1.00 0.00 O ATOM 1423 CB PRO A 101 14.311 23.499 -2.862 1.00 0.00 C ATOM 1424 CG PRO A 101 13.269 22.710 -2.147 1.00 0.00 C ATOM 1425 CD PRO A 101 13.743 21.283 -2.169 1.00 0.00 C ATOM 0 HA PRO A 101 16.359 22.830 -3.348 1.00 0.00 H new ATOM 0 HB2 PRO A 101 14.327 24.534 -2.521 1.00 0.00 H new ATOM 0 HB3 PRO A 101 14.124 23.520 -3.936 1.00 0.00 H new ATOM 0 HG2 PRO A 101 13.145 23.064 -1.124 1.00 0.00 H new ATOM 0 HG3 PRO A 101 12.301 22.807 -2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 101 13.438 20.744 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 101 13.337 20.738 -3.021 1.00 0.00 H new ATOM 1433 N SER A 102 15.665 23.378 -0.189 1.00 0.00 N ATOM 1434 CA SER A 102 16.211 23.971 1.026 1.00 0.00 C ATOM 1435 C SER A 102 16.969 25.257 0.710 1.00 0.00 C ATOM 1436 O SER A 102 17.997 25.551 1.321 1.00 0.00 O ATOM 1437 CB SER A 102 17.139 22.979 1.730 1.00 0.00 C ATOM 1438 OG SER A 102 16.421 21.847 2.190 1.00 0.00 O ATOM 0 H SER A 102 14.762 22.919 -0.066 1.00 0.00 H new ATOM 0 HA SER A 102 15.380 24.213 1.688 1.00 0.00 H new ATOM 0 HB2 SER A 102 17.924 22.661 1.044 1.00 0.00 H new ATOM 0 HB3 SER A 102 17.629 23.469 2.571 1.00 0.00 H new ATOM 0 HG SER A 102 17.037 21.228 2.635 1.00 0.00 H new ATOM 1444 N SER A 103 16.453 26.020 -0.248 1.00 0.00 N ATOM 1445 CA SER A 103 17.082 27.273 -0.649 1.00 0.00 C ATOM 1446 C SER A 103 16.559 28.436 0.189 1.00 0.00 C ATOM 1447 O SER A 103 17.333 29.235 0.715 1.00 0.00 O ATOM 1448 CB SER A 103 16.828 27.544 -2.133 1.00 0.00 C ATOM 1449 OG SER A 103 15.440 27.653 -2.401 1.00 0.00 O ATOM 0 H SER A 103 15.601 25.793 -0.761 1.00 0.00 H new ATOM 0 HA SER A 103 18.155 27.182 -0.482 1.00 0.00 H new ATOM 0 HB2 SER A 103 17.332 28.464 -2.430 1.00 0.00 H new ATOM 0 HB3 SER A 103 17.255 26.739 -2.731 1.00 0.00 H new ATOM 0 HG SER A 103 15.304 27.828 -3.356 1.00 0.00 H new ATOM 1455 N GLY A 104 15.237 28.524 0.308 1.00 0.00 N ATOM 1456 CA GLY A 104 14.632 29.592 1.082 1.00 0.00 C ATOM 1457 C GLY A 104 15.481 30.001 2.269 1.00 0.00 C ATOM 1458 O GLY A 104 15.437 29.385 3.333 1.00 0.00 O ATOM 0 H GLY A 104 14.575 27.875 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 104 14.472 30.457 0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 104 13.652 29.271 1.434 1.00 0.00 H new ATOM 1462 N PRO A 105 16.279 31.065 2.091 1.00 0.00 N ATOM 1463 CA PRO A 105 17.159 31.579 3.145 1.00 0.00 C ATOM 1464 C PRO A 105 16.381 32.229 4.284 1.00 0.00 C ATOM 1465 O PRO A 105 16.819 32.217 5.434 1.00 0.00 O ATOM 1466 CB PRO A 105 18.012 32.621 2.417 1.00 0.00 C ATOM 1467 CG PRO A 105 17.176 33.056 1.263 1.00 0.00 C ATOM 1468 CD PRO A 105 16.382 31.848 0.848 1.00 0.00 C ATOM 0 HA PRO A 105 17.740 30.785 3.615 1.00 0.00 H new ATOM 0 HB2 PRO A 105 18.254 33.460 3.069 1.00 0.00 H new ATOM 0 HB3 PRO A 105 18.958 32.195 2.082 1.00 0.00 H new ATOM 0 HG2 PRO A 105 16.518 33.877 1.546 1.00 0.00 H new ATOM 0 HG3 PRO A 105 17.799 33.414 0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 105 15.400 32.125 0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 105 16.885 31.287 0.060 1.00 0.00 H new ATOM 1476 N SER A 106 15.224 32.796 3.956 1.00 0.00 N ATOM 1477 CA SER A 106 14.386 33.454 4.952 1.00 0.00 C ATOM 1478 C SER A 106 13.053 32.728 5.106 1.00 0.00 C ATOM 1479 O SER A 106 12.773 31.764 4.394 1.00 0.00 O ATOM 1480 CB SER A 106 14.143 34.913 4.561 1.00 0.00 C ATOM 1481 OG SER A 106 13.612 35.008 3.250 1.00 0.00 O ATOM 0 H SER A 106 14.846 32.813 3.009 1.00 0.00 H new ATOM 0 HA SER A 106 14.909 33.424 5.908 1.00 0.00 H new ATOM 0 HB2 SER A 106 13.454 35.373 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 106 15.079 35.469 4.619 1.00 0.00 H new ATOM 0 HG SER A 106 13.464 35.950 3.024 1.00 0.00 H new ATOM 1487 N SER A 107 12.235 33.199 6.041 1.00 0.00 N ATOM 1488 CA SER A 107 10.932 32.594 6.293 1.00 0.00 C ATOM 1489 C SER A 107 10.065 32.630 5.038 1.00 0.00 C ATOM 1490 O SER A 107 9.534 31.607 4.607 1.00 0.00 O ATOM 1491 CB SER A 107 10.222 33.317 7.439 1.00 0.00 C ATOM 1492 OG SER A 107 9.323 32.451 8.110 1.00 0.00 O ATOM 0 H SER A 107 12.451 33.998 6.637 1.00 0.00 H new ATOM 0 HA SER A 107 11.091 31.553 6.574 1.00 0.00 H new ATOM 0 HB2 SER A 107 10.960 33.698 8.145 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.679 34.178 7.049 1.00 0.00 H new ATOM 0 HG SER A 107 8.883 32.937 8.839 1.00 0.00 H new ATOM 1498 N GLY A 108 9.926 33.817 4.456 1.00 0.00 N ATOM 1499 CA GLY A 108 9.122 33.967 3.257 1.00 0.00 C ATOM 1500 C GLY A 108 9.890 33.617 1.998 1.00 0.00 C ATOM 1501 O GLY A 108 9.294 33.358 0.952 1.00 0.00 O ATOM 0 H GLY A 108 10.356 34.678 4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.241 33.329 3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 108 8.766 34.995 3.188 1.00 0.00 H new TER 1505 GLY A 108