USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 725 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 17 LYS NZ :NH3+ -173:sc= -1.83 (180deg=-1.98) USER MOD Set 1.2: A 85 THR OG1 : rot -86:sc= 1.14 USER MOD Set 2.1: A 14 HIS : no HD1:sc= -0.359 X(o=-0.36,f=-0.42) USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.0787 (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= -0.0577 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.445 X(o=-0.45,f=-0.45) USER MOD Single : A 46 HIS : no HD1:sc= -0.153 K(o=-0.15,f=-1.3) USER MOD Single : A 53 SER OG : rot -76:sc= 1.05 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -60:sc= 1.17 USER MOD Single : A 66 ASN : amide:sc= -1.69 K(o=-1.7,f=-0.57) USER MOD Single : A 68 THR OG1 : rot 95:sc= 0.0199 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 170:sc= -2.18 USER MOD Single : A 79 GLN : amide:sc= -0.611 K(o=-0.61,f=-1.9) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.00274 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc=-0.00479 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 CYS SG : rot 23:sc= 0.0713 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.027 3.398 -27.407 1.00 0.00 N ATOM 2 CA GLY A 1 -4.719 2.889 -27.778 1.00 0.00 C ATOM 3 C GLY A 1 -3.872 2.533 -26.572 1.00 0.00 C ATOM 4 O GLY A 1 -4.371 2.486 -25.448 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.765 2.834 -27.875 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.145 3.334 -26.376 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.110 4.391 -27.704 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.841 2.006 -28.406 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.198 3.636 -28.376 1.00 0.00 H new ATOM 8 N SER A 2 -2.589 2.279 -26.806 1.00 0.00 N ATOM 9 CA SER A 2 -1.672 1.919 -25.731 1.00 0.00 C ATOM 10 C SER A 2 -1.336 3.136 -24.874 1.00 0.00 C ATOM 11 O SER A 2 -0.441 3.913 -25.205 1.00 0.00 O ATOM 12 CB SER A 2 -0.390 1.316 -26.306 1.00 0.00 C ATOM 13 OG SER A 2 -0.527 -0.081 -26.504 1.00 0.00 O ATOM 0 H SER A 2 -2.161 2.316 -27.731 1.00 0.00 H new ATOM 0 HA SER A 2 -2.163 1.177 -25.101 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.150 1.799 -27.253 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.442 1.511 -25.630 1.00 0.00 H new ATOM 0 HG SER A 2 0.306 -0.442 -26.874 1.00 0.00 H new ATOM 19 N SER A 3 -2.060 3.293 -23.771 1.00 0.00 N ATOM 20 CA SER A 3 -1.842 4.417 -22.867 1.00 0.00 C ATOM 21 C SER A 3 -0.431 4.384 -22.290 1.00 0.00 C ATOM 22 O SER A 3 -0.107 3.536 -21.459 1.00 0.00 O ATOM 23 CB SER A 3 -2.870 4.394 -21.734 1.00 0.00 C ATOM 24 OG SER A 3 -4.085 5.003 -22.135 1.00 0.00 O ATOM 0 H SER A 3 -2.803 2.657 -23.481 1.00 0.00 H new ATOM 0 HA SER A 3 -1.961 5.338 -23.437 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.059 3.364 -21.431 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.469 4.914 -20.864 1.00 0.00 H new ATOM 0 HG SER A 3 -4.726 4.974 -21.394 1.00 0.00 H new ATOM 30 N GLY A 4 0.407 5.314 -22.737 1.00 0.00 N ATOM 31 CA GLY A 4 1.775 5.375 -22.255 1.00 0.00 C ATOM 32 C GLY A 4 2.385 6.753 -22.414 1.00 0.00 C ATOM 33 O GLY A 4 2.900 7.093 -23.479 1.00 0.00 O ATOM 0 H GLY A 4 0.163 6.027 -23.425 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.799 5.089 -21.203 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.381 4.648 -22.797 1.00 0.00 H new ATOM 37 N SER A 5 2.326 7.551 -21.352 1.00 0.00 N ATOM 38 CA SER A 5 2.873 8.902 -21.380 1.00 0.00 C ATOM 39 C SER A 5 3.243 9.368 -19.975 1.00 0.00 C ATOM 40 O SER A 5 2.740 8.842 -18.983 1.00 0.00 O ATOM 41 CB SER A 5 1.864 9.870 -22.002 1.00 0.00 C ATOM 42 OG SER A 5 1.601 9.535 -23.353 1.00 0.00 O ATOM 0 H SER A 5 1.905 7.285 -20.462 1.00 0.00 H new ATOM 0 HA SER A 5 3.777 8.889 -21.989 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.935 9.848 -21.431 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.249 10.888 -21.945 1.00 0.00 H new ATOM 0 HG SER A 5 0.952 10.168 -23.727 1.00 0.00 H new ATOM 48 N SER A 6 4.126 10.359 -19.900 1.00 0.00 N ATOM 49 CA SER A 6 4.567 10.894 -18.618 1.00 0.00 C ATOM 50 C SER A 6 3.387 11.446 -17.824 1.00 0.00 C ATOM 51 O SER A 6 2.943 12.570 -18.052 1.00 0.00 O ATOM 52 CB SER A 6 5.611 11.992 -18.832 1.00 0.00 C ATOM 53 OG SER A 6 6.733 11.498 -19.542 1.00 0.00 O ATOM 0 H SER A 6 4.550 10.807 -20.712 1.00 0.00 H new ATOM 0 HA SER A 6 5.017 10.081 -18.048 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.165 12.820 -19.382 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.932 12.386 -17.868 1.00 0.00 H new ATOM 0 HG SER A 6 7.384 12.219 -19.667 1.00 0.00 H new ATOM 59 N GLY A 7 2.883 10.645 -16.891 1.00 0.00 N ATOM 60 CA GLY A 7 1.759 11.069 -16.077 1.00 0.00 C ATOM 61 C GLY A 7 1.597 10.227 -14.827 1.00 0.00 C ATOM 62 O GLY A 7 1.570 10.754 -13.714 1.00 0.00 O ATOM 0 H GLY A 7 3.233 9.710 -16.684 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.893 12.113 -15.793 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.845 11.015 -16.669 1.00 0.00 H new ATOM 66 N ASP A 8 1.489 8.916 -15.009 1.00 0.00 N ATOM 67 CA ASP A 8 1.328 7.999 -13.886 1.00 0.00 C ATOM 68 C ASP A 8 2.619 7.230 -13.624 1.00 0.00 C ATOM 69 O ASP A 8 3.026 6.390 -14.424 1.00 0.00 O ATOM 70 CB ASP A 8 0.184 7.021 -14.158 1.00 0.00 C ATOM 71 CG ASP A 8 -1.179 7.655 -13.958 1.00 0.00 C ATOM 72 OD1 ASP A 8 -1.436 8.173 -12.852 1.00 0.00 O ATOM 73 OD2 ASP A 8 -1.989 7.633 -14.909 1.00 0.00 O ATOM 0 H ASP A 8 1.510 8.464 -15.923 1.00 0.00 H new ATOM 0 HA ASP A 8 1.090 8.587 -13.000 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.262 6.650 -15.180 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.281 6.160 -13.497 1.00 0.00 H new ATOM 78 N ASN A 9 3.259 7.525 -12.497 1.00 0.00 N ATOM 79 CA ASN A 9 4.506 6.863 -12.130 1.00 0.00 C ATOM 80 C ASN A 9 4.295 5.927 -10.943 1.00 0.00 C ATOM 81 O ASN A 9 4.482 6.318 -9.790 1.00 0.00 O ATOM 82 CB ASN A 9 5.579 7.900 -11.792 1.00 0.00 C ATOM 83 CG ASN A 9 5.945 8.762 -12.984 1.00 0.00 C ATOM 84 OD1 ASN A 9 5.542 9.922 -13.073 1.00 0.00 O ATOM 85 ND2 ASN A 9 6.714 8.198 -13.908 1.00 0.00 N ATOM 0 H ASN A 9 2.935 8.218 -11.822 1.00 0.00 H new ATOM 0 HA ASN A 9 4.839 6.271 -12.983 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.223 8.537 -10.982 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.471 7.390 -11.428 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.994 8.729 -14.732 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.025 7.233 -13.793 1.00 0.00 H new ATOM 92 N CYS A 10 3.906 4.691 -11.234 1.00 0.00 N ATOM 93 CA CYS A 10 3.670 3.698 -10.191 1.00 0.00 C ATOM 94 C CYS A 10 4.056 2.303 -10.670 1.00 0.00 C ATOM 95 O CYS A 10 4.530 2.131 -11.794 1.00 0.00 O ATOM 96 CB CYS A 10 2.202 3.716 -9.764 1.00 0.00 C ATOM 97 SG CYS A 10 1.046 3.260 -11.078 1.00 0.00 S ATOM 0 H CYS A 10 3.747 4.352 -12.183 1.00 0.00 H new ATOM 0 HA CYS A 10 4.293 3.953 -9.334 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.070 3.032 -8.925 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.951 4.714 -9.404 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.170 3.302 -10.620 1.00 0.00 H new ATOM 103 N ARG A 11 3.852 1.310 -9.811 1.00 0.00 N ATOM 104 CA ARG A 11 4.182 -0.070 -10.146 1.00 0.00 C ATOM 105 C ARG A 11 3.152 -1.032 -9.560 1.00 0.00 C ATOM 106 O ARG A 11 3.006 -1.133 -8.343 1.00 0.00 O ATOM 107 CB ARG A 11 5.578 -0.423 -9.630 1.00 0.00 C ATOM 108 CG ARG A 11 6.176 -1.656 -10.287 1.00 0.00 C ATOM 109 CD ARG A 11 7.449 -2.100 -9.584 1.00 0.00 C ATOM 110 NE ARG A 11 8.322 -2.871 -10.466 1.00 0.00 N ATOM 111 CZ ARG A 11 9.539 -3.278 -10.123 1.00 0.00 C ATOM 112 NH1 ARG A 11 10.024 -2.990 -8.923 1.00 0.00 N ATOM 113 NH2 ARG A 11 10.272 -3.976 -10.981 1.00 0.00 N ATOM 0 H ARG A 11 3.460 1.435 -8.878 1.00 0.00 H new ATOM 0 HA ARG A 11 4.169 -0.168 -11.232 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.243 0.425 -9.796 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.528 -0.583 -8.553 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.448 -2.467 -10.271 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.393 -1.443 -11.334 1.00 0.00 H new ATOM 0 HD2 ARG A 11 7.985 -1.224 -9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.191 -2.702 -8.713 1.00 0.00 H new ATOM 0 HE ARG A 11 7.978 -3.110 -11.396 1.00 0.00 H new ATOM 0 HH11 ARG A 11 9.462 -2.455 -8.261 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.959 -3.304 -8.662 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.901 -4.200 -11.904 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.206 -4.288 -10.717 1.00 0.00 H new ATOM 127 N GLU A 12 2.442 -1.737 -10.436 1.00 0.00 N ATOM 128 CA GLU A 12 1.426 -2.690 -10.004 1.00 0.00 C ATOM 129 C GLU A 12 2.065 -4.003 -9.563 1.00 0.00 C ATOM 130 O GLU A 12 2.699 -4.697 -10.358 1.00 0.00 O ATOM 131 CB GLU A 12 0.427 -2.950 -11.133 1.00 0.00 C ATOM 132 CG GLU A 12 -0.761 -2.003 -11.125 1.00 0.00 C ATOM 133 CD GLU A 12 -1.316 -1.751 -12.513 1.00 0.00 C ATOM 134 OE1 GLU A 12 -1.966 -2.662 -13.068 1.00 0.00 O ATOM 135 OE2 GLU A 12 -1.102 -0.641 -13.045 1.00 0.00 O ATOM 0 H GLU A 12 2.552 -1.666 -11.448 1.00 0.00 H new ATOM 0 HA GLU A 12 0.898 -2.259 -9.153 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.942 -2.865 -12.090 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.064 -3.975 -11.057 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.547 -2.417 -10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.461 -1.054 -10.680 1.00 0.00 H new ATOM 142 N VAL A 13 1.893 -4.339 -8.288 1.00 0.00 N ATOM 143 CA VAL A 13 2.452 -5.569 -7.739 1.00 0.00 C ATOM 144 C VAL A 13 1.355 -6.468 -7.180 1.00 0.00 C ATOM 145 O VAL A 13 0.827 -6.221 -6.095 1.00 0.00 O ATOM 146 CB VAL A 13 3.475 -5.273 -6.627 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.060 -6.567 -6.081 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.575 -4.358 -7.144 1.00 0.00 C ATOM 0 H VAL A 13 1.371 -3.776 -7.616 1.00 0.00 H new ATOM 0 HA VAL A 13 2.956 -6.082 -8.558 1.00 0.00 H new ATOM 0 HB VAL A 13 2.962 -4.762 -5.813 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.781 -6.338 -5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.260 -7.183 -5.670 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.559 -7.108 -6.885 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.289 -4.160 -6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.087 -4.840 -7.977 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.138 -3.418 -7.482 1.00 0.00 H new ATOM 158 N HIS A 14 1.017 -7.514 -7.928 1.00 0.00 N ATOM 159 CA HIS A 14 -0.016 -8.453 -7.506 1.00 0.00 C ATOM 160 C HIS A 14 0.576 -9.560 -6.639 1.00 0.00 C ATOM 161 O HIS A 14 1.706 -9.998 -6.860 1.00 0.00 O ATOM 162 CB HIS A 14 -0.711 -9.061 -8.725 1.00 0.00 C ATOM 163 CG HIS A 14 -1.134 -8.045 -9.741 1.00 0.00 C ATOM 164 ND1 HIS A 14 -0.243 -7.381 -10.558 1.00 0.00 N ATOM 165 CD2 HIS A 14 -2.362 -7.581 -10.072 1.00 0.00 C ATOM 166 CE1 HIS A 14 -0.905 -6.552 -11.346 1.00 0.00 C ATOM 167 NE2 HIS A 14 -2.193 -6.655 -11.071 1.00 0.00 N ATOM 0 H HIS A 14 1.443 -7.732 -8.829 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.749 -7.905 -6.914 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.038 -9.777 -9.197 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.587 -9.618 -8.393 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.301 -7.883 -9.632 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.467 -5.901 -12.088 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.940 -6.132 -11.527 1.00 0.00 H new ATOM 175 N LEU A 15 -0.193 -10.008 -5.653 1.00 0.00 N ATOM 176 CA LEU A 15 0.255 -11.064 -4.752 1.00 0.00 C ATOM 177 C LEU A 15 -0.808 -12.148 -4.611 1.00 0.00 C ATOM 178 O LEU A 15 -1.942 -11.980 -5.059 1.00 0.00 O ATOM 179 CB LEU A 15 0.591 -10.481 -3.378 1.00 0.00 C ATOM 180 CG LEU A 15 1.423 -9.198 -3.378 1.00 0.00 C ATOM 181 CD1 LEU A 15 1.196 -8.414 -2.095 1.00 0.00 C ATOM 182 CD2 LEU A 15 2.900 -9.520 -3.554 1.00 0.00 C ATOM 0 H LEU A 15 -1.130 -9.656 -5.457 1.00 0.00 H new ATOM 0 HA LEU A 15 1.152 -11.514 -5.178 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.343 -10.285 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.127 -11.238 -2.806 1.00 0.00 H new ATOM 0 HG LEU A 15 1.103 -8.581 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.796 -7.504 -2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.142 -8.151 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.487 -9.024 -1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.477 -8.595 -3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.233 -10.158 -2.735 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.049 -10.038 -4.501 1.00 0.00 H new ATOM 194 N GLU A 16 -0.435 -13.259 -3.983 1.00 0.00 N ATOM 195 CA GLU A 16 -1.358 -14.369 -3.782 1.00 0.00 C ATOM 196 C GLU A 16 -1.324 -14.850 -2.335 1.00 0.00 C ATOM 197 O GLU A 16 -0.360 -15.482 -1.901 1.00 0.00 O ATOM 198 CB GLU A 16 -1.013 -15.525 -4.724 1.00 0.00 C ATOM 199 CG GLU A 16 -1.600 -15.371 -6.117 1.00 0.00 C ATOM 200 CD GLU A 16 -1.473 -16.635 -6.946 1.00 0.00 C ATOM 201 OE1 GLU A 16 -0.328 -17.048 -7.225 1.00 0.00 O ATOM 202 OE2 GLU A 16 -2.518 -17.210 -7.315 1.00 0.00 O ATOM 0 H GLU A 16 0.500 -13.414 -3.605 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.365 -14.016 -4.005 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.071 -15.607 -4.803 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.373 -16.457 -4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.652 -15.098 -6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.097 -14.552 -6.631 1.00 0.00 H new ATOM 209 N LYS A 17 -2.382 -14.546 -1.591 1.00 0.00 N ATOM 210 CA LYS A 17 -2.475 -14.946 -0.192 1.00 0.00 C ATOM 211 C LYS A 17 -3.572 -15.989 0.003 1.00 0.00 C ATOM 212 O LYS A 17 -4.292 -16.328 -0.935 1.00 0.00 O ATOM 213 CB LYS A 17 -2.752 -13.728 0.691 1.00 0.00 C ATOM 214 CG LYS A 17 -4.227 -13.386 0.811 1.00 0.00 C ATOM 215 CD LYS A 17 -4.469 -12.325 1.871 1.00 0.00 C ATOM 216 CE LYS A 17 -4.287 -10.923 1.309 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.251 -9.894 2.385 1.00 0.00 N ATOM 0 H LYS A 17 -3.188 -14.023 -1.934 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.522 -15.388 0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.348 -13.912 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.220 -12.867 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.599 -13.032 -0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.791 -14.285 1.060 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.478 -12.430 2.269 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.781 -12.477 2.703 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.362 -10.880 0.734 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.101 -10.699 0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.245 -8.946 1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.090 -9.996 2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.392 -10.021 2.958 1.00 0.00 H new ATOM 231 N ARG A 18 -3.693 -16.491 1.227 1.00 0.00 N ATOM 232 CA ARG A 18 -4.702 -17.494 1.545 1.00 0.00 C ATOM 233 C ARG A 18 -5.924 -16.850 2.194 1.00 0.00 C ATOM 234 O ARG A 18 -5.795 -15.970 3.044 1.00 0.00 O ATOM 235 CB ARG A 18 -4.118 -18.558 2.477 1.00 0.00 C ATOM 236 CG ARG A 18 -3.206 -19.550 1.773 1.00 0.00 C ATOM 237 CD ARG A 18 -3.987 -20.733 1.224 1.00 0.00 C ATOM 238 NE ARG A 18 -3.130 -21.893 0.991 1.00 0.00 N ATOM 239 CZ ARG A 18 -3.477 -22.920 0.222 1.00 0.00 C ATOM 240 NH1 ARG A 18 -4.656 -22.929 -0.385 1.00 0.00 N ATOM 241 NH2 ARG A 18 -2.643 -23.939 0.058 1.00 0.00 N ATOM 0 H ARG A 18 -3.105 -16.220 2.015 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.014 -17.967 0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.559 -18.065 3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.935 -19.102 2.951 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.682 -19.049 0.959 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.447 -19.906 2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.778 -21.001 1.924 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.471 -20.446 0.290 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.216 -21.916 1.443 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.299 -22.147 -0.262 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.920 -23.718 -0.975 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.735 -23.935 0.522 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.910 -24.727 -0.532 1.00 0.00 H new ATOM 255 N ARG A 19 -7.107 -17.296 1.786 1.00 0.00 N ATOM 256 CA ARG A 19 -8.352 -16.761 2.325 1.00 0.00 C ATOM 257 C ARG A 19 -8.248 -16.561 3.834 1.00 0.00 C ATOM 258 O ARG A 19 -8.156 -17.524 4.594 1.00 0.00 O ATOM 259 CB ARG A 19 -9.517 -17.700 2.004 1.00 0.00 C ATOM 260 CG ARG A 19 -10.883 -17.058 2.180 1.00 0.00 C ATOM 261 CD ARG A 19 -11.986 -17.925 1.594 1.00 0.00 C ATOM 262 NE ARG A 19 -12.419 -18.964 2.524 1.00 0.00 N ATOM 263 CZ ARG A 19 -13.060 -20.066 2.150 1.00 0.00 C ATOM 264 NH1 ARG A 19 -13.340 -20.271 0.870 1.00 0.00 N ATOM 265 NH2 ARG A 19 -13.421 -20.965 3.056 1.00 0.00 N ATOM 0 H ARG A 19 -7.230 -18.026 1.084 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.535 -15.793 1.858 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.419 -18.049 0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.452 -18.578 2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.074 -16.892 3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.892 -16.081 1.697 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -12.837 -17.298 1.329 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.632 -18.388 0.673 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.218 -18.837 3.516 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.063 -19.582 0.171 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.832 -21.118 0.585 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.207 -20.811 4.041 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.913 -21.811 2.768 1.00 0.00 H new ATOM 279 N GLY A 20 -8.264 -15.302 4.261 1.00 0.00 N ATOM 280 CA GLY A 20 -8.171 -14.997 5.677 1.00 0.00 C ATOM 281 C GLY A 20 -6.739 -14.989 6.175 1.00 0.00 C ATOM 282 O GLY A 20 -6.477 -15.303 7.335 1.00 0.00 O ATOM 0 H GLY A 20 -8.340 -14.488 3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.624 -14.024 5.867 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.745 -15.731 6.242 1.00 0.00 H new ATOM 286 N GLU A 21 -5.810 -14.629 5.294 1.00 0.00 N ATOM 287 CA GLU A 21 -4.397 -14.584 5.651 1.00 0.00 C ATOM 288 C GLU A 21 -3.920 -13.142 5.804 1.00 0.00 C ATOM 289 O GLU A 21 -4.082 -12.324 4.899 1.00 0.00 O ATOM 290 CB GLU A 21 -3.557 -15.301 4.592 1.00 0.00 C ATOM 291 CG GLU A 21 -2.064 -15.052 4.728 1.00 0.00 C ATOM 292 CD GLU A 21 -1.254 -15.775 3.670 1.00 0.00 C ATOM 293 OE1 GLU A 21 -1.171 -17.019 3.735 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.702 -15.097 2.778 1.00 0.00 O ATOM 0 H GLU A 21 -6.011 -14.365 4.329 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.274 -15.093 6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.745 -16.373 4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.882 -14.978 3.603 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.870 -13.982 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.734 -15.374 5.716 1.00 0.00 H new ATOM 301 N GLY A 22 -3.331 -12.838 6.957 1.00 0.00 N ATOM 302 CA GLY A 22 -2.841 -11.496 7.208 1.00 0.00 C ATOM 303 C GLY A 22 -1.928 -10.996 6.105 1.00 0.00 C ATOM 304 O GLY A 22 -0.881 -11.587 5.840 1.00 0.00 O ATOM 0 H GLY A 22 -3.185 -13.498 7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.687 -10.817 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.303 -11.480 8.156 1.00 0.00 H new ATOM 308 N LEU A 23 -2.326 -9.906 5.459 1.00 0.00 N ATOM 309 CA LEU A 23 -1.538 -9.327 4.377 1.00 0.00 C ATOM 310 C LEU A 23 -0.074 -9.189 4.783 1.00 0.00 C ATOM 311 O LEU A 23 0.828 -9.456 3.991 1.00 0.00 O ATOM 312 CB LEU A 23 -2.101 -7.960 3.983 1.00 0.00 C ATOM 313 CG LEU A 23 -1.837 -7.515 2.545 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.358 -6.104 2.319 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.351 -7.594 2.226 1.00 0.00 C ATOM 0 H LEU A 23 -3.190 -9.405 5.666 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.597 -9.997 3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.179 -7.972 4.146 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.685 -7.210 4.656 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.369 -8.189 1.873 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.161 -5.804 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.432 -6.078 2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.855 -5.417 3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.182 -7.273 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.202 -6.944 2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.007 -8.621 2.347 1.00 0.00 H new ATOM 327 N GLY A 24 0.153 -8.770 6.025 1.00 0.00 N ATOM 328 CA GLY A 24 1.509 -8.606 6.516 1.00 0.00 C ATOM 329 C GLY A 24 2.111 -7.272 6.120 1.00 0.00 C ATOM 330 O GLY A 24 3.219 -7.217 5.585 1.00 0.00 O ATOM 0 H GLY A 24 -0.578 -8.541 6.699 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.512 -8.694 7.602 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.132 -9.412 6.129 1.00 0.00 H new ATOM 334 N VAL A 25 1.380 -6.193 6.381 1.00 0.00 N ATOM 335 CA VAL A 25 1.848 -4.853 6.047 1.00 0.00 C ATOM 336 C VAL A 25 1.501 -3.860 7.150 1.00 0.00 C ATOM 337 O VAL A 25 0.494 -4.011 7.842 1.00 0.00 O ATOM 338 CB VAL A 25 1.242 -4.362 4.719 1.00 0.00 C ATOM 339 CG1 VAL A 25 2.056 -4.871 3.540 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.210 -4.797 4.603 1.00 0.00 C ATOM 0 H VAL A 25 0.461 -6.221 6.823 1.00 0.00 H new ATOM 0 HA VAL A 25 2.931 -4.912 5.943 1.00 0.00 H new ATOM 0 HB VAL A 25 1.272 -3.272 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.613 -4.514 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 25 3.079 -4.504 3.619 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.061 -5.961 3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.622 -4.441 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.268 -5.885 4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.783 -4.377 5.430 1.00 0.00 H new ATOM 350 N ALA A 26 2.341 -2.842 7.308 1.00 0.00 N ATOM 351 CA ALA A 26 2.122 -1.822 8.326 1.00 0.00 C ATOM 352 C ALA A 26 2.331 -0.423 7.754 1.00 0.00 C ATOM 353 O ALA A 26 3.459 -0.023 7.463 1.00 0.00 O ATOM 354 CB ALA A 26 3.046 -2.053 9.512 1.00 0.00 C ATOM 0 H ALA A 26 3.179 -2.702 6.744 1.00 0.00 H new ATOM 0 HA ALA A 26 1.089 -1.897 8.665 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.872 -1.284 10.264 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.847 -3.034 9.943 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.083 -2.007 9.180 1.00 0.00 H new ATOM 360 N LEU A 27 1.238 0.315 7.596 1.00 0.00 N ATOM 361 CA LEU A 27 1.301 1.670 7.058 1.00 0.00 C ATOM 362 C LEU A 27 1.093 2.703 8.160 1.00 0.00 C ATOM 363 O LEU A 27 0.514 2.404 9.205 1.00 0.00 O ATOM 364 CB LEU A 27 0.249 1.855 5.963 1.00 0.00 C ATOM 365 CG LEU A 27 0.108 0.704 4.966 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.272 0.718 4.327 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.192 0.786 3.901 1.00 0.00 C ATOM 0 H LEU A 27 0.298 -0.002 7.833 1.00 0.00 H new ATOM 0 HA LEU A 27 2.292 1.819 6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.718 2.017 6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.487 2.763 5.408 1.00 0.00 H new ATOM 0 HG LEU A 27 0.227 -0.236 5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.354 -0.108 3.620 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.032 0.611 5.101 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.420 1.661 3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.077 -0.041 3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.105 1.731 3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.172 0.726 4.374 1.00 0.00 H new ATOM 379 N VAL A 28 1.566 3.922 7.919 1.00 0.00 N ATOM 380 CA VAL A 28 1.428 5.001 8.889 1.00 0.00 C ATOM 381 C VAL A 28 1.091 6.319 8.201 1.00 0.00 C ATOM 382 O VAL A 28 1.018 6.389 6.975 1.00 0.00 O ATOM 383 CB VAL A 28 2.715 5.180 9.716 1.00 0.00 C ATOM 384 CG1 VAL A 28 2.764 4.173 10.855 1.00 0.00 C ATOM 385 CG2 VAL A 28 3.942 5.050 8.825 1.00 0.00 C ATOM 0 H VAL A 28 2.048 4.186 7.060 1.00 0.00 H new ATOM 0 HA VAL A 28 0.612 4.724 9.556 1.00 0.00 H new ATOM 0 HB VAL A 28 2.712 6.180 10.149 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.681 4.316 11.427 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.903 4.319 11.507 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.744 3.162 10.448 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.843 5.179 9.425 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.953 4.063 8.362 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.911 5.814 8.049 1.00 0.00 H new ATOM 395 N GLU A 29 0.888 7.363 9.000 1.00 0.00 N ATOM 396 CA GLU A 29 0.559 8.679 8.466 1.00 0.00 C ATOM 397 C GLU A 29 1.825 9.467 8.143 1.00 0.00 C ATOM 398 O GLU A 29 2.720 9.595 8.978 1.00 0.00 O ATOM 399 CB GLU A 29 -0.299 9.458 9.465 1.00 0.00 C ATOM 400 CG GLU A 29 -1.791 9.218 9.304 1.00 0.00 C ATOM 401 CD GLU A 29 -2.629 10.331 9.902 1.00 0.00 C ATOM 402 OE1 GLU A 29 -2.597 11.455 9.361 1.00 0.00 O ATOM 403 OE2 GLU A 29 -3.318 10.076 10.913 1.00 0.00 O ATOM 0 H GLU A 29 0.946 7.322 10.018 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.006 8.539 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.003 9.183 10.477 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.097 10.523 9.352 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.027 9.120 8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.056 8.273 9.779 1.00 0.00 H new ATOM 410 N SER A 30 1.891 9.994 6.924 1.00 0.00 N ATOM 411 CA SER A 30 3.049 10.766 6.488 1.00 0.00 C ATOM 412 C SER A 30 2.666 12.220 6.230 1.00 0.00 C ATOM 413 O SER A 30 1.549 12.514 5.808 1.00 0.00 O ATOM 414 CB SER A 30 3.650 10.153 5.221 1.00 0.00 C ATOM 415 OG SER A 30 4.679 10.973 4.696 1.00 0.00 O ATOM 0 H SER A 30 1.157 9.901 6.222 1.00 0.00 H new ATOM 0 HA SER A 30 3.793 10.740 7.284 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.048 9.164 5.446 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.869 10.020 4.472 1.00 0.00 H new ATOM 0 HG SER A 30 5.048 10.558 3.888 1.00 0.00 H new ATOM 421 N GLY A 31 3.604 13.127 6.487 1.00 0.00 N ATOM 422 CA GLY A 31 3.347 14.540 6.278 1.00 0.00 C ATOM 423 C GLY A 31 3.874 15.034 4.946 1.00 0.00 C ATOM 424 O GLY A 31 3.188 15.765 4.232 1.00 0.00 O ATOM 0 H GLY A 31 4.537 12.908 6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.274 14.723 6.331 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.808 15.113 7.083 1.00 0.00 H new ATOM 428 N TRP A 32 5.096 14.636 4.611 1.00 0.00 N ATOM 429 CA TRP A 32 5.716 15.045 3.356 1.00 0.00 C ATOM 430 C TRP A 32 4.696 15.053 2.222 1.00 0.00 C ATOM 431 O TRP A 32 3.848 14.166 2.132 1.00 0.00 O ATOM 432 CB TRP A 32 6.876 14.111 3.008 1.00 0.00 C ATOM 433 CG TRP A 32 8.062 14.276 3.910 1.00 0.00 C ATOM 434 CD1 TRP A 32 8.241 13.709 5.140 1.00 0.00 C ATOM 435 CD2 TRP A 32 9.231 15.061 3.654 1.00 0.00 C ATOM 436 NE1 TRP A 32 9.452 14.095 5.663 1.00 0.00 N ATOM 437 CE2 TRP A 32 10.079 14.924 4.771 1.00 0.00 C ATOM 438 CE3 TRP A 32 9.646 15.865 2.589 1.00 0.00 C ATOM 439 CZ2 TRP A 32 11.314 15.561 4.851 1.00 0.00 C ATOM 440 CZ3 TRP A 32 10.872 16.498 2.670 1.00 0.00 C ATOM 441 CH2 TRP A 32 11.695 16.342 3.794 1.00 0.00 C ATOM 0 H TRP A 32 5.677 14.031 5.191 1.00 0.00 H new ATOM 0 HA TRP A 32 6.099 16.058 3.482 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.530 13.079 3.060 1.00 0.00 H new ATOM 0 HB3 TRP A 32 7.183 14.293 1.978 1.00 0.00 H new ATOM 0 HD1 TRP A 32 7.535 13.054 5.629 1.00 0.00 H new ATOM 0 HE1 TRP A 32 9.824 13.810 6.569 1.00 0.00 H new ATOM 0 HE3 TRP A 32 9.020 15.990 1.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 11.949 15.443 5.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 11.202 17.123 1.853 1.00 0.00 H new ATOM 0 HH2 TRP A 32 12.648 16.848 3.826 1.00 0.00 H new ATOM 452 N GLY A 33 4.785 16.060 1.358 1.00 0.00 N ATOM 453 CA GLY A 33 3.863 16.162 0.242 1.00 0.00 C ATOM 454 C GLY A 33 3.707 17.587 -0.252 1.00 0.00 C ATOM 455 O GLY A 33 4.648 18.379 -0.190 1.00 0.00 O ATOM 0 H GLY A 33 5.478 16.806 1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.216 15.534 -0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.889 15.776 0.543 1.00 0.00 H new ATOM 459 N SER A 34 2.517 17.914 -0.744 1.00 0.00 N ATOM 460 CA SER A 34 2.243 19.252 -1.255 1.00 0.00 C ATOM 461 C SER A 34 0.914 19.777 -0.719 1.00 0.00 C ATOM 462 O SER A 34 0.851 20.860 -0.136 1.00 0.00 O ATOM 463 CB SER A 34 2.220 19.241 -2.785 1.00 0.00 C ATOM 464 OG SER A 34 1.796 20.493 -3.298 1.00 0.00 O ATOM 0 H SER A 34 1.727 17.271 -0.800 1.00 0.00 H new ATOM 0 HA SER A 34 3.039 19.914 -0.915 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.214 19.007 -3.165 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.551 18.455 -3.136 1.00 0.00 H new ATOM 0 HG SER A 34 1.791 20.461 -4.277 1.00 0.00 H new ATOM 470 N LEU A 35 -0.146 19.002 -0.922 1.00 0.00 N ATOM 471 CA LEU A 35 -1.475 19.387 -0.459 1.00 0.00 C ATOM 472 C LEU A 35 -2.028 18.359 0.523 1.00 0.00 C ATOM 473 O LEU A 35 -2.508 18.711 1.601 1.00 0.00 O ATOM 474 CB LEU A 35 -2.426 19.537 -1.648 1.00 0.00 C ATOM 475 CG LEU A 35 -3.848 19.990 -1.315 1.00 0.00 C ATOM 476 CD1 LEU A 35 -3.881 21.484 -1.033 1.00 0.00 C ATOM 477 CD2 LEU A 35 -4.799 19.639 -2.451 1.00 0.00 C ATOM 0 H LEU A 35 -0.111 18.104 -1.404 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.391 20.345 0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.992 20.252 -2.347 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.483 18.579 -2.166 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.175 19.465 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.901 21.787 -0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.232 21.709 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.534 22.028 -1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.806 19.969 -2.197 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.474 20.137 -3.365 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.798 18.560 -2.606 1.00 0.00 H new ATOM 489 N LEU A 36 -1.956 17.088 0.144 1.00 0.00 N ATOM 490 CA LEU A 36 -2.448 16.008 0.993 1.00 0.00 C ATOM 491 C LEU A 36 -1.330 15.025 1.326 1.00 0.00 C ATOM 492 O LEU A 36 -0.350 14.891 0.594 1.00 0.00 O ATOM 493 CB LEU A 36 -3.599 15.274 0.302 1.00 0.00 C ATOM 494 CG LEU A 36 -3.366 14.884 -1.158 1.00 0.00 C ATOM 495 CD1 LEU A 36 -2.722 13.510 -1.247 1.00 0.00 C ATOM 496 CD2 LEU A 36 -4.676 14.914 -1.933 1.00 0.00 C ATOM 0 H LEU A 36 -1.562 16.780 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.811 16.446 1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.818 14.369 0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.487 15.904 0.352 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.686 15.610 -1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.564 13.249 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.764 13.523 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.376 12.771 -0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.492 14.634 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.379 14.211 -1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.097 15.919 -1.898 1.00 0.00 H new ATOM 508 N PRO A 37 -1.480 14.319 2.457 1.00 0.00 N ATOM 509 CA PRO A 37 -0.495 13.334 2.911 1.00 0.00 C ATOM 510 C PRO A 37 -0.464 12.094 2.025 1.00 0.00 C ATOM 511 O PRO A 37 -1.280 11.947 1.114 1.00 0.00 O ATOM 512 CB PRO A 37 -0.977 12.973 4.319 1.00 0.00 C ATOM 513 CG PRO A 37 -2.439 13.256 4.302 1.00 0.00 C ATOM 514 CD PRO A 37 -2.624 14.428 3.378 1.00 0.00 C ATOM 0 HA PRO A 37 0.520 13.730 2.881 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.779 11.926 4.549 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.467 13.568 5.077 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.000 12.390 3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -2.803 13.487 5.303 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.574 14.375 2.847 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.615 15.373 3.921 1.00 0.00 H new ATOM 522 N THR A 38 0.483 11.201 2.297 1.00 0.00 N ATOM 523 CA THR A 38 0.621 9.973 1.524 1.00 0.00 C ATOM 524 C THR A 38 0.760 8.761 2.437 1.00 0.00 C ATOM 525 O THR A 38 1.082 8.895 3.617 1.00 0.00 O ATOM 526 CB THR A 38 1.840 10.035 0.583 1.00 0.00 C ATOM 527 OG1 THR A 38 3.050 9.928 1.342 1.00 0.00 O ATOM 528 CG2 THR A 38 1.846 11.333 -0.210 1.00 0.00 C ATOM 0 H THR A 38 1.166 11.306 3.047 1.00 0.00 H new ATOM 0 HA THR A 38 -0.285 9.873 0.927 1.00 0.00 H new ATOM 0 HB THR A 38 1.775 9.201 -0.116 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.820 9.966 0.737 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.715 11.354 -0.867 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.937 11.398 -0.808 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.890 12.179 0.476 1.00 0.00 H new ATOM 536 N ALA A 39 0.515 7.578 1.883 1.00 0.00 N ATOM 537 CA ALA A 39 0.616 6.341 2.648 1.00 0.00 C ATOM 538 C ALA A 39 2.019 5.751 2.557 1.00 0.00 C ATOM 539 O ALA A 39 2.448 5.306 1.493 1.00 0.00 O ATOM 540 CB ALA A 39 -0.415 5.334 2.161 1.00 0.00 C ATOM 0 H ALA A 39 0.245 7.450 0.908 1.00 0.00 H new ATOM 0 HA ALA A 39 0.416 6.573 3.694 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.328 4.415 2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.415 5.748 2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.241 5.116 1.107 1.00 0.00 H new ATOM 546 N VAL A 40 2.730 5.752 3.680 1.00 0.00 N ATOM 547 CA VAL A 40 4.086 5.216 3.727 1.00 0.00 C ATOM 548 C VAL A 40 4.148 3.950 4.573 1.00 0.00 C ATOM 549 O VAL A 40 3.625 3.910 5.687 1.00 0.00 O ATOM 550 CB VAL A 40 5.078 6.249 4.294 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.495 5.697 4.270 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.991 7.553 3.517 1.00 0.00 C ATOM 0 H VAL A 40 2.390 6.118 4.569 1.00 0.00 H new ATOM 0 HA VAL A 40 4.368 4.977 2.701 1.00 0.00 H new ATOM 0 HB VAL A 40 4.811 6.453 5.331 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.182 6.440 4.674 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.543 4.792 4.875 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.777 5.463 3.243 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.699 8.271 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.231 7.369 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.980 7.955 3.592 1.00 0.00 H new ATOM 562 N ILE A 41 4.790 2.917 4.037 1.00 0.00 N ATOM 563 CA ILE A 41 4.921 1.650 4.744 1.00 0.00 C ATOM 564 C ILE A 41 5.826 1.791 5.963 1.00 0.00 C ATOM 565 O ILE A 41 7.039 1.952 5.833 1.00 0.00 O ATOM 566 CB ILE A 41 5.484 0.549 3.826 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.609 0.396 2.580 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.580 -0.770 4.577 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.275 -0.380 1.465 1.00 0.00 C ATOM 0 H ILE A 41 5.227 2.933 3.116 1.00 0.00 H new ATOM 0 HA ILE A 41 3.920 1.365 5.069 1.00 0.00 H new ATOM 0 HB ILE A 41 6.486 0.838 3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.681 -0.105 2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.339 1.386 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.980 -1.538 3.914 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.241 -0.652 5.436 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.589 -1.067 4.920 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.597 -0.449 0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.188 0.132 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.520 -1.383 1.816 1.00 0.00 H new ATOM 581 N ALA A 42 5.228 1.728 7.148 1.00 0.00 N ATOM 582 CA ALA A 42 5.980 1.845 8.391 1.00 0.00 C ATOM 583 C ALA A 42 6.783 0.579 8.668 1.00 0.00 C ATOM 584 O ALA A 42 7.973 0.643 8.974 1.00 0.00 O ATOM 585 CB ALA A 42 5.040 2.141 9.551 1.00 0.00 C ATOM 0 H ALA A 42 4.224 1.597 7.273 1.00 0.00 H new ATOM 0 HA ALA A 42 6.681 2.673 8.286 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.615 2.226 10.473 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.515 3.077 9.364 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.316 1.332 9.648 1.00 0.00 H new ATOM 591 N ASN A 43 6.125 -0.570 8.559 1.00 0.00 N ATOM 592 CA ASN A 43 6.778 -1.851 8.799 1.00 0.00 C ATOM 593 C ASN A 43 6.154 -2.949 7.943 1.00 0.00 C ATOM 594 O ASN A 43 5.041 -2.800 7.437 1.00 0.00 O ATOM 595 CB ASN A 43 6.683 -2.227 10.279 1.00 0.00 C ATOM 596 CG ASN A 43 7.512 -1.314 11.162 1.00 0.00 C ATOM 597 OD1 ASN A 43 6.994 -0.370 11.758 1.00 0.00 O ATOM 598 ND2 ASN A 43 8.808 -1.592 11.248 1.00 0.00 N ATOM 0 H ASN A 43 5.139 -0.640 8.306 1.00 0.00 H new ATOM 0 HA ASN A 43 7.828 -1.752 8.523 1.00 0.00 H new ATOM 0 HB2 ASN A 43 5.641 -2.186 10.595 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.016 -3.256 10.412 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.417 -1.012 11.826 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.195 -2.385 10.736 1.00 0.00 H new ATOM 605 N LEU A 44 6.877 -4.052 7.786 1.00 0.00 N ATOM 606 CA LEU A 44 6.395 -5.177 6.992 1.00 0.00 C ATOM 607 C LEU A 44 6.696 -6.502 7.685 1.00 0.00 C ATOM 608 O LEU A 44 7.752 -6.669 8.297 1.00 0.00 O ATOM 609 CB LEU A 44 7.035 -5.158 5.603 1.00 0.00 C ATOM 610 CG LEU A 44 6.649 -3.985 4.702 1.00 0.00 C ATOM 611 CD1 LEU A 44 7.288 -4.132 3.330 1.00 0.00 C ATOM 612 CD2 LEU A 44 5.135 -3.883 4.578 1.00 0.00 C ATOM 0 H LEU A 44 7.800 -4.192 8.198 1.00 0.00 H new ATOM 0 HA LEU A 44 5.314 -5.080 6.889 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.118 -5.156 5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.773 -6.084 5.092 1.00 0.00 H new ATOM 0 HG LEU A 44 7.020 -3.066 5.156 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.002 -3.288 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.373 -4.155 3.434 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.948 -5.059 2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.879 -3.043 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.742 -4.804 4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.699 -3.729 5.565 1.00 0.00 H new ATOM 624 N LEU A 45 5.763 -7.442 7.584 1.00 0.00 N ATOM 625 CA LEU A 45 5.929 -8.754 8.199 1.00 0.00 C ATOM 626 C LEU A 45 6.883 -9.621 7.383 1.00 0.00 C ATOM 627 O LEU A 45 6.481 -10.255 6.407 1.00 0.00 O ATOM 628 CB LEU A 45 4.574 -9.452 8.332 1.00 0.00 C ATOM 629 CG LEU A 45 4.570 -10.764 9.117 1.00 0.00 C ATOM 630 CD1 LEU A 45 5.410 -11.814 8.406 1.00 0.00 C ATOM 631 CD2 LEU A 45 5.078 -10.541 10.533 1.00 0.00 C ATOM 0 H LEU A 45 4.884 -7.320 7.082 1.00 0.00 H new ATOM 0 HA LEU A 45 6.356 -8.611 9.192 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.878 -8.763 8.811 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.189 -9.649 7.331 1.00 0.00 H new ATOM 0 HG LEU A 45 3.544 -11.127 9.174 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.395 -12.741 8.979 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.001 -11.996 7.412 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.437 -11.459 8.316 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.068 -11.486 11.076 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.096 -10.154 10.497 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.434 -9.823 11.042 1.00 0.00 H new ATOM 643 N HIS A 46 8.147 -9.646 7.791 1.00 0.00 N ATOM 644 CA HIS A 46 9.158 -10.439 7.100 1.00 0.00 C ATOM 645 C HIS A 46 8.729 -11.899 6.999 1.00 0.00 C ATOM 646 O HIS A 46 9.078 -12.719 7.847 1.00 0.00 O ATOM 647 CB HIS A 46 10.500 -10.338 7.826 1.00 0.00 C ATOM 648 CG HIS A 46 11.296 -9.127 7.449 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.254 -8.559 6.193 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.156 -8.373 8.172 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.056 -7.510 6.159 1.00 0.00 C ATOM 652 NE2 HIS A 46 12.615 -7.374 7.348 1.00 0.00 N ATOM 0 H HIS A 46 8.496 -9.127 8.596 1.00 0.00 H new ATOM 0 HA HIS A 46 9.269 -10.041 6.091 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.322 -10.325 8.901 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.088 -11.230 7.611 1.00 0.00 H new ATOM 0 HD2 HIS A 46 12.431 -8.528 9.205 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.226 -6.872 5.304 1.00 0.00 H new ATOM 0 HE2 HIS A 46 13.279 -6.646 7.611 1.00 0.00 H new ATOM 660 N GLY A 47 7.968 -12.217 5.956 1.00 0.00 N ATOM 661 CA GLY A 47 7.502 -13.578 5.765 1.00 0.00 C ATOM 662 C GLY A 47 6.029 -13.643 5.412 1.00 0.00 C ATOM 663 O GLY A 47 5.338 -14.594 5.775 1.00 0.00 O ATOM 0 H GLY A 47 7.666 -11.556 5.240 1.00 0.00 H new ATOM 0 HA2 GLY A 47 8.083 -14.050 4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.680 -14.151 6.675 1.00 0.00 H new ATOM 667 N GLY A 48 5.547 -12.628 4.702 1.00 0.00 N ATOM 668 CA GLY A 48 4.149 -12.592 4.314 1.00 0.00 C ATOM 669 C GLY A 48 3.965 -12.596 2.809 1.00 0.00 C ATOM 670 O GLY A 48 4.926 -12.699 2.045 1.00 0.00 O ATOM 0 H GLY A 48 6.099 -11.830 4.388 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.634 -13.452 4.742 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.682 -11.700 4.732 1.00 0.00 H new ATOM 674 N PRO A 49 2.706 -12.484 2.363 1.00 0.00 N ATOM 675 CA PRO A 49 2.369 -12.474 0.936 1.00 0.00 C ATOM 676 C PRO A 49 2.833 -11.198 0.240 1.00 0.00 C ATOM 677 O PRO A 49 3.083 -11.193 -0.965 1.00 0.00 O ATOM 678 CB PRO A 49 0.841 -12.560 0.931 1.00 0.00 C ATOM 679 CG PRO A 49 0.425 -11.992 2.244 1.00 0.00 C ATOM 680 CD PRO A 49 1.512 -12.358 3.216 1.00 0.00 C ATOM 0 HA PRO A 49 2.857 -13.286 0.397 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.415 -11.994 0.102 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.503 -13.590 0.820 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.306 -10.910 2.181 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.535 -12.401 2.560 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.643 -11.591 3.979 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.289 -13.290 3.735 1.00 0.00 H new ATOM 688 N ALA A 50 2.947 -10.119 1.007 1.00 0.00 N ATOM 689 CA ALA A 50 3.384 -8.839 0.465 1.00 0.00 C ATOM 690 C ALA A 50 4.905 -8.742 0.442 1.00 0.00 C ATOM 691 O ALA A 50 5.495 -8.323 -0.554 1.00 0.00 O ATOM 692 CB ALA A 50 2.792 -7.694 1.273 1.00 0.00 C ATOM 0 H ALA A 50 2.743 -10.106 2.006 1.00 0.00 H new ATOM 0 HA ALA A 50 3.027 -8.767 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.127 -6.744 0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.704 -7.745 1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.120 -7.772 2.309 1.00 0.00 H new ATOM 698 N GLU A 51 5.535 -9.132 1.546 1.00 0.00 N ATOM 699 CA GLU A 51 6.989 -9.087 1.652 1.00 0.00 C ATOM 700 C GLU A 51 7.634 -10.105 0.716 1.00 0.00 C ATOM 701 O GLU A 51 8.579 -9.788 -0.006 1.00 0.00 O ATOM 702 CB GLU A 51 7.426 -9.354 3.094 1.00 0.00 C ATOM 703 CG GLU A 51 8.922 -9.571 3.246 1.00 0.00 C ATOM 704 CD GLU A 51 9.327 -11.017 3.038 1.00 0.00 C ATOM 705 OE1 GLU A 51 8.482 -11.908 3.270 1.00 0.00 O ATOM 706 OE2 GLU A 51 10.487 -11.259 2.644 1.00 0.00 O ATOM 0 H GLU A 51 5.062 -9.482 2.379 1.00 0.00 H new ATOM 0 HA GLU A 51 7.319 -8.090 1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.124 -8.513 3.718 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.900 -10.233 3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.451 -8.943 2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.232 -9.250 4.240 1.00 0.00 H new ATOM 713 N ARG A 52 7.116 -11.329 0.735 1.00 0.00 N ATOM 714 CA ARG A 52 7.643 -12.394 -0.109 1.00 0.00 C ATOM 715 C ARG A 52 7.993 -11.865 -1.497 1.00 0.00 C ATOM 716 O ARG A 52 8.865 -12.406 -2.177 1.00 0.00 O ATOM 717 CB ARG A 52 6.625 -13.530 -0.227 1.00 0.00 C ATOM 718 CG ARG A 52 5.352 -13.134 -0.957 1.00 0.00 C ATOM 719 CD ARG A 52 4.615 -14.352 -1.494 1.00 0.00 C ATOM 720 NE ARG A 52 5.316 -14.962 -2.621 1.00 0.00 N ATOM 721 CZ ARG A 52 5.014 -16.158 -3.113 1.00 0.00 C ATOM 722 NH1 ARG A 52 4.029 -16.868 -2.581 1.00 0.00 N ATOM 723 NH2 ARG A 52 5.697 -16.645 -4.141 1.00 0.00 N ATOM 0 H ARG A 52 6.332 -11.607 1.326 1.00 0.00 H new ATOM 0 HA ARG A 52 8.552 -12.776 0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.087 -14.368 -0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.367 -13.880 0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.700 -12.582 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.597 -12.463 -1.781 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.501 -15.087 -0.697 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.612 -14.061 -1.806 1.00 0.00 H new ATOM 0 HE ARG A 52 6.079 -14.441 -3.054 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.501 -16.496 -1.792 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.799 -17.786 -2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.454 -16.101 -4.554 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.465 -17.564 -4.518 1.00 0.00 H new ATOM 737 N SER A 53 7.307 -10.804 -1.911 1.00 0.00 N ATOM 738 CA SER A 53 7.543 -10.204 -3.219 1.00 0.00 C ATOM 739 C SER A 53 8.993 -9.753 -3.356 1.00 0.00 C ATOM 740 O SER A 53 9.640 -10.004 -4.372 1.00 0.00 O ATOM 741 CB SER A 53 6.604 -9.015 -3.434 1.00 0.00 C ATOM 742 OG SER A 53 7.001 -7.904 -2.649 1.00 0.00 O ATOM 0 H SER A 53 6.584 -10.342 -1.360 1.00 0.00 H new ATOM 0 HA SER A 53 7.343 -10.959 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.600 -8.737 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.584 -9.301 -3.176 1.00 0.00 H new ATOM 0 HG SER A 53 6.747 -8.056 -1.715 1.00 0.00 H new ATOM 748 N GLY A 54 9.499 -9.084 -2.324 1.00 0.00 N ATOM 749 CA GLY A 54 10.870 -8.607 -2.349 1.00 0.00 C ATOM 750 C GLY A 54 10.972 -7.157 -2.778 1.00 0.00 C ATOM 751 O GLY A 54 11.810 -6.411 -2.272 1.00 0.00 O ATOM 0 H GLY A 54 8.984 -8.864 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.309 -8.721 -1.358 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.454 -9.226 -3.030 1.00 0.00 H new ATOM 755 N ALA A 55 10.118 -6.757 -3.714 1.00 0.00 N ATOM 756 CA ALA A 55 10.115 -5.387 -4.211 1.00 0.00 C ATOM 757 C ALA A 55 9.554 -4.426 -3.168 1.00 0.00 C ATOM 758 O ALA A 55 10.166 -3.403 -2.859 1.00 0.00 O ATOM 759 CB ALA A 55 9.315 -5.295 -5.502 1.00 0.00 C ATOM 0 H ALA A 55 9.419 -7.363 -4.144 1.00 0.00 H new ATOM 0 HA ALA A 55 11.146 -5.098 -4.415 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.321 -4.266 -5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.762 -5.945 -6.254 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.288 -5.608 -5.316 1.00 0.00 H new ATOM 765 N LEU A 56 8.386 -4.760 -2.631 1.00 0.00 N ATOM 766 CA LEU A 56 7.742 -3.926 -1.622 1.00 0.00 C ATOM 767 C LEU A 56 8.502 -3.983 -0.301 1.00 0.00 C ATOM 768 O LEU A 56 8.516 -5.012 0.375 1.00 0.00 O ATOM 769 CB LEU A 56 6.294 -4.374 -1.411 1.00 0.00 C ATOM 770 CG LEU A 56 5.486 -4.654 -2.678 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.423 -5.708 -2.412 1.00 0.00 C ATOM 772 CD2 LEU A 56 4.851 -3.372 -3.199 1.00 0.00 C ATOM 0 H LEU A 56 7.866 -5.602 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 56 7.749 -2.896 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.300 -5.277 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.777 -3.605 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 56 6.164 -5.037 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.858 -5.894 -3.326 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.900 -6.632 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.747 -5.355 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.280 -3.590 -4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.187 -2.960 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.632 -2.647 -3.430 1.00 0.00 H new ATOM 784 N SER A 57 9.132 -2.870 0.062 1.00 0.00 N ATOM 785 CA SER A 57 9.895 -2.794 1.302 1.00 0.00 C ATOM 786 C SER A 57 9.581 -1.505 2.055 1.00 0.00 C ATOM 787 O SER A 57 9.135 -0.521 1.464 1.00 0.00 O ATOM 788 CB SER A 57 11.395 -2.873 1.008 1.00 0.00 C ATOM 789 OG SER A 57 11.754 -1.997 -0.047 1.00 0.00 O ATOM 0 H SER A 57 9.129 -2.009 -0.485 1.00 0.00 H new ATOM 0 HA SER A 57 9.609 -3.639 1.928 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.959 -2.617 1.905 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.664 -3.896 0.743 1.00 0.00 H new ATOM 0 HG SER A 57 12.717 -2.064 -0.215 1.00 0.00 H new ATOM 795 N ILE A 58 9.816 -1.519 3.363 1.00 0.00 N ATOM 796 CA ILE A 58 9.559 -0.352 4.198 1.00 0.00 C ATOM 797 C ILE A 58 10.005 0.930 3.502 1.00 0.00 C ATOM 798 O ILE A 58 11.125 1.020 3.002 1.00 0.00 O ATOM 799 CB ILE A 58 10.277 -0.463 5.556 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.775 -1.687 6.324 1.00 0.00 C ATOM 801 CG2 ILE A 58 10.065 0.804 6.371 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.779 -2.230 7.317 1.00 0.00 C ATOM 0 H ILE A 58 10.184 -2.326 3.867 1.00 0.00 H new ATOM 0 HA ILE A 58 8.483 -0.315 4.368 1.00 0.00 H new ATOM 0 HB ILE A 58 11.346 -0.583 5.377 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.859 -1.424 6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.518 -2.472 5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.578 0.711 7.328 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.466 1.659 5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.999 0.951 6.544 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.356 -3.097 7.825 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.687 -2.525 6.792 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.018 -1.460 8.051 1.00 0.00 H new ATOM 814 N GLY A 59 9.119 1.921 3.477 1.00 0.00 N ATOM 815 CA GLY A 59 9.440 3.186 2.842 1.00 0.00 C ATOM 816 C GLY A 59 8.514 3.507 1.686 1.00 0.00 C ATOM 817 O GLY A 59 7.785 4.498 1.723 1.00 0.00 O ATOM 0 H GLY A 59 8.185 1.871 3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.383 3.985 3.581 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.469 3.158 2.482 1.00 0.00 H new ATOM 821 N ASP A 60 8.543 2.668 0.657 1.00 0.00 N ATOM 822 CA ASP A 60 7.700 2.867 -0.516 1.00 0.00 C ATOM 823 C ASP A 60 6.347 3.448 -0.120 1.00 0.00 C ATOM 824 O ASP A 60 5.816 3.140 0.947 1.00 0.00 O ATOM 825 CB ASP A 60 7.503 1.545 -1.259 1.00 0.00 C ATOM 826 CG ASP A 60 8.802 0.993 -1.814 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.743 0.779 -1.020 1.00 0.00 O ATOM 828 OD2 ASP A 60 8.877 0.774 -3.041 1.00 0.00 O ATOM 0 H ASP A 60 9.141 1.843 0.611 1.00 0.00 H new ATOM 0 HA ASP A 60 8.200 3.575 -1.177 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.061 0.814 -0.582 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.796 1.692 -2.075 1.00 0.00 H new ATOM 833 N ARG A 61 5.794 4.292 -0.986 1.00 0.00 N ATOM 834 CA ARG A 61 4.504 4.918 -0.725 1.00 0.00 C ATOM 835 C ARG A 61 3.393 4.220 -1.504 1.00 0.00 C ATOM 836 O ARG A 61 3.468 4.083 -2.726 1.00 0.00 O ATOM 837 CB ARG A 61 4.549 6.401 -1.099 1.00 0.00 C ATOM 838 CG ARG A 61 3.193 7.087 -1.034 1.00 0.00 C ATOM 839 CD ARG A 61 2.479 7.035 -2.375 1.00 0.00 C ATOM 840 NE ARG A 61 1.391 8.007 -2.453 1.00 0.00 N ATOM 841 CZ ARG A 61 0.935 8.509 -3.595 1.00 0.00 C ATOM 842 NH1 ARG A 61 1.469 8.133 -4.749 1.00 0.00 N ATOM 843 NH2 ARG A 61 -0.057 9.390 -3.585 1.00 0.00 N ATOM 0 H ARG A 61 6.220 4.558 -1.874 1.00 0.00 H new ATOM 0 HA ARG A 61 4.291 4.824 0.340 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.239 6.915 -0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.949 6.501 -2.108 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.577 6.607 -0.274 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.323 8.126 -0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.195 7.227 -3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.082 6.033 -2.536 1.00 0.00 H new ATOM 0 HE ARG A 61 0.958 8.317 -1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.232 7.456 -4.761 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.117 8.520 -5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.470 9.683 -2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.406 9.775 -4.463 1.00 0.00 H new ATOM 857 N LEU A 62 2.364 3.779 -0.790 1.00 0.00 N ATOM 858 CA LEU A 62 1.237 3.094 -1.414 1.00 0.00 C ATOM 859 C LEU A 62 0.269 4.095 -2.038 1.00 0.00 C ATOM 860 O LEU A 62 0.099 5.207 -1.537 1.00 0.00 O ATOM 861 CB LEU A 62 0.503 2.234 -0.383 1.00 0.00 C ATOM 862 CG LEU A 62 -0.888 1.744 -0.786 1.00 0.00 C ATOM 863 CD1 LEU A 62 -1.250 0.479 -0.022 1.00 0.00 C ATOM 864 CD2 LEU A 62 -1.926 2.829 -0.547 1.00 0.00 C ATOM 0 H LEU A 62 2.286 3.883 0.222 1.00 0.00 H new ATOM 0 HA LEU A 62 1.627 2.452 -2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.121 1.365 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.411 2.807 0.539 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.876 1.510 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.243 0.145 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.522 -0.301 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.244 0.686 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.910 2.462 -0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.938 3.095 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.676 3.709 -1.140 1.00 0.00 H new ATOM 876 N THR A 63 -0.364 3.692 -3.136 1.00 0.00 N ATOM 877 CA THR A 63 -1.315 4.552 -3.828 1.00 0.00 C ATOM 878 C THR A 63 -2.722 3.967 -3.779 1.00 0.00 C ATOM 879 O THR A 63 -3.698 4.690 -3.583 1.00 0.00 O ATOM 880 CB THR A 63 -0.911 4.765 -5.299 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.109 3.557 -6.042 1.00 0.00 O ATOM 882 CG2 THR A 63 0.543 5.198 -5.404 1.00 0.00 C ATOM 0 H THR A 63 -0.235 2.775 -3.564 1.00 0.00 H new ATOM 0 HA THR A 63 -1.306 5.513 -3.313 1.00 0.00 H new ATOM 0 HB THR A 63 -1.539 5.553 -5.714 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.553 2.845 -5.662 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.805 5.342 -6.452 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.684 6.134 -4.863 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.184 4.429 -4.972 1.00 0.00 H new ATOM 890 N ALA A 64 -2.819 2.654 -3.959 1.00 0.00 N ATOM 891 CA ALA A 64 -4.107 1.972 -3.932 1.00 0.00 C ATOM 892 C ALA A 64 -3.934 0.482 -3.653 1.00 0.00 C ATOM 893 O ALA A 64 -2.815 -0.034 -3.658 1.00 0.00 O ATOM 894 CB ALA A 64 -4.843 2.183 -5.246 1.00 0.00 C ATOM 0 H ALA A 64 -2.021 2.041 -4.125 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.700 2.400 -3.123 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.803 1.668 -5.212 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.008 3.249 -5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.246 1.783 -6.066 1.00 0.00 H new ATOM 900 N ILE A 65 -5.046 -0.202 -3.410 1.00 0.00 N ATOM 901 CA ILE A 65 -5.016 -1.632 -3.130 1.00 0.00 C ATOM 902 C ILE A 65 -6.167 -2.353 -3.824 1.00 0.00 C ATOM 903 O ILE A 65 -7.336 -2.078 -3.557 1.00 0.00 O ATOM 904 CB ILE A 65 -5.089 -1.911 -1.617 1.00 0.00 C ATOM 905 CG1 ILE A 65 -3.810 -1.433 -0.926 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.312 -3.395 -1.362 1.00 0.00 C ATOM 907 CD1 ILE A 65 -3.943 -1.314 0.576 1.00 0.00 C ATOM 0 H ILE A 65 -5.979 0.210 -3.401 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.069 -2.009 -3.516 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.932 -1.360 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.001 -2.126 -1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.526 -0.464 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.361 -3.576 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.247 -3.707 -1.826 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.487 -3.965 -1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.999 -0.971 0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.730 -0.599 0.816 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.196 -2.287 0.997 1.00 0.00 H new ATOM 919 N ASN A 66 -5.827 -3.278 -4.716 1.00 0.00 N ATOM 920 CA ASN A 66 -6.832 -4.040 -5.448 1.00 0.00 C ATOM 921 C ASN A 66 -7.748 -3.111 -6.240 1.00 0.00 C ATOM 922 O ASN A 66 -8.892 -3.454 -6.535 1.00 0.00 O ATOM 923 CB ASN A 66 -7.661 -4.890 -4.483 1.00 0.00 C ATOM 924 CG ASN A 66 -6.943 -6.162 -4.072 1.00 0.00 C ATOM 925 OD1 ASN A 66 -6.479 -6.927 -4.918 1.00 0.00 O ATOM 926 ND2 ASN A 66 -6.850 -6.393 -2.768 1.00 0.00 N ATOM 0 H ASN A 66 -4.863 -3.518 -4.949 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.315 -4.697 -6.148 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.894 -4.304 -3.594 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.610 -5.147 -4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.379 -7.233 -2.431 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.250 -5.731 -2.103 1.00 0.00 H new ATOM 933 N GLY A 67 -7.236 -1.932 -6.581 1.00 0.00 N ATOM 934 CA GLY A 67 -8.021 -0.973 -7.335 1.00 0.00 C ATOM 935 C GLY A 67 -8.811 -0.038 -6.440 1.00 0.00 C ATOM 936 O GLY A 67 -9.984 0.236 -6.697 1.00 0.00 O ATOM 0 H GLY A 67 -6.292 -1.624 -6.348 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.359 -0.387 -7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.707 -1.507 -7.993 1.00 0.00 H new ATOM 940 N THR A 68 -8.168 0.451 -5.385 1.00 0.00 N ATOM 941 CA THR A 68 -8.819 1.358 -4.447 1.00 0.00 C ATOM 942 C THR A 68 -7.971 2.601 -4.206 1.00 0.00 C ATOM 943 O THR A 68 -7.173 2.649 -3.270 1.00 0.00 O ATOM 944 CB THR A 68 -9.093 0.668 -3.097 1.00 0.00 C ATOM 945 OG1 THR A 68 -10.007 -0.419 -3.279 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.665 1.655 -2.091 1.00 0.00 C ATOM 0 H THR A 68 -7.197 0.235 -5.158 1.00 0.00 H new ATOM 0 HA THR A 68 -9.768 1.650 -4.897 1.00 0.00 H new ATOM 0 HB THR A 68 -8.148 0.287 -2.711 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.505 -1.254 -3.388 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.850 1.145 -1.146 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.954 2.466 -1.932 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.601 2.062 -2.473 1.00 0.00 H new ATOM 954 N SER A 69 -8.149 3.607 -5.056 1.00 0.00 N ATOM 955 CA SER A 69 -7.397 4.851 -4.937 1.00 0.00 C ATOM 956 C SER A 69 -7.458 5.388 -3.511 1.00 0.00 C ATOM 957 O SER A 69 -8.442 6.012 -3.111 1.00 0.00 O ATOM 958 CB SER A 69 -7.943 5.897 -5.912 1.00 0.00 C ATOM 959 OG SER A 69 -7.308 7.150 -5.724 1.00 0.00 O ATOM 0 H SER A 69 -8.807 3.585 -5.835 1.00 0.00 H new ATOM 0 HA SER A 69 -6.356 4.643 -5.184 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.790 5.558 -6.937 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.018 6.006 -5.769 1.00 0.00 H new ATOM 0 HG SER A 69 -7.673 7.800 -6.360 1.00 0.00 H new ATOM 965 N LEU A 70 -6.400 5.142 -2.747 1.00 0.00 N ATOM 966 CA LEU A 70 -6.331 5.600 -1.364 1.00 0.00 C ATOM 967 C LEU A 70 -5.716 6.994 -1.282 1.00 0.00 C ATOM 968 O LEU A 70 -5.966 7.739 -0.335 1.00 0.00 O ATOM 969 CB LEU A 70 -5.513 4.619 -0.521 1.00 0.00 C ATOM 970 CG LEU A 70 -6.168 3.266 -0.243 1.00 0.00 C ATOM 971 CD1 LEU A 70 -5.151 2.287 0.324 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.344 3.428 0.710 1.00 0.00 C ATOM 0 H LEU A 70 -5.577 4.628 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.347 5.647 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.562 4.443 -1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.286 5.093 0.434 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.542 2.865 -1.185 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.635 1.330 0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.342 2.147 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.746 2.682 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.798 2.455 0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.994 3.851 1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.083 4.094 0.265 1.00 0.00 H new ATOM 984 N VAL A 71 -4.913 7.340 -2.282 1.00 0.00 N ATOM 985 CA VAL A 71 -4.265 8.646 -2.325 1.00 0.00 C ATOM 986 C VAL A 71 -5.222 9.749 -1.890 1.00 0.00 C ATOM 987 O VAL A 71 -6.227 10.010 -2.551 1.00 0.00 O ATOM 988 CB VAL A 71 -3.739 8.965 -3.737 1.00 0.00 C ATOM 989 CG1 VAL A 71 -3.162 10.371 -3.787 1.00 0.00 C ATOM 990 CG2 VAL A 71 -2.701 7.938 -4.164 1.00 0.00 C ATOM 0 H VAL A 71 -4.695 6.735 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.424 8.605 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 71 -4.574 8.916 -4.436 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.795 10.578 -4.792 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.937 11.092 -3.528 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.339 10.452 -3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.340 8.179 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.866 7.952 -3.464 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.152 6.946 -4.171 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.904 10.395 -0.772 1.00 0.00 N ATOM 1001 CA GLY A 72 -5.746 11.463 -0.267 1.00 0.00 C ATOM 1002 C GLY A 72 -6.448 11.087 1.023 1.00 0.00 C ATOM 1003 O GLY A 72 -6.577 11.909 1.931 1.00 0.00 O ATOM 0 H GLY A 72 -4.078 10.197 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.139 12.353 -0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.490 11.722 -1.020 1.00 0.00 H new ATOM 1007 N LEU A 73 -6.907 9.843 1.104 1.00 0.00 N ATOM 1008 CA LEU A 73 -7.602 9.360 2.292 1.00 0.00 C ATOM 1009 C LEU A 73 -6.646 9.246 3.474 1.00 0.00 C ATOM 1010 O LEU A 73 -5.442 9.044 3.313 1.00 0.00 O ATOM 1011 CB LEU A 73 -8.249 8.002 2.011 1.00 0.00 C ATOM 1012 CG LEU A 73 -9.426 8.008 1.036 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -9.804 6.588 0.646 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -10.619 8.732 1.644 1.00 0.00 C ATOM 0 H LEU A 73 -6.810 9.151 0.361 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.379 10.081 2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.484 7.331 1.621 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.589 7.581 2.957 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.123 8.541 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.644 6.613 -0.048 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.953 6.103 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.087 6.029 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.448 8.726 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.922 8.227 2.561 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -10.343 9.762 1.871 1.00 0.00 H new ATOM 1026 N PRO A 74 -7.192 9.375 4.692 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.405 9.287 5.926 1.00 0.00 C ATOM 1028 C PRO A 74 -5.903 7.872 6.194 1.00 0.00 C ATOM 1029 O PRO A 74 -6.471 6.897 5.700 1.00 0.00 O ATOM 1030 CB PRO A 74 -7.397 9.717 7.010 1.00 0.00 C ATOM 1031 CG PRO A 74 -8.738 9.404 6.443 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.620 9.617 4.959 1.00 0.00 C ATOM 0 HA PRO A 74 -5.507 9.903 5.882 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.225 9.176 7.941 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.301 10.779 7.236 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.027 8.377 6.668 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.503 10.052 6.871 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.255 8.928 4.402 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.917 10.626 4.673 1.00 0.00 H new ATOM 1040 N LEU A 75 -4.837 7.767 6.980 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.259 6.470 7.314 1.00 0.00 C ATOM 1042 C LEU A 75 -5.345 5.475 7.711 1.00 0.00 C ATOM 1043 O LEU A 75 -5.352 4.333 7.252 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.247 6.619 8.452 1.00 0.00 C ATOM 1045 CG LEU A 75 -2.851 5.329 9.170 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -1.931 4.492 8.295 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.183 5.643 10.501 1.00 0.00 C ATOM 0 H LEU A 75 -4.356 8.564 7.398 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.749 6.088 6.429 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.344 7.080 8.051 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.657 7.310 9.188 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.755 4.753 9.367 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.660 3.578 8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.444 4.237 7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.029 5.060 8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.908 4.713 10.998 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.288 6.240 10.327 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.874 6.201 11.132 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.263 5.918 8.564 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.356 5.068 9.018 1.00 0.00 C ATOM 1061 C ALA A 76 -7.982 4.309 7.854 1.00 0.00 C ATOM 1062 O ALA A 76 -8.097 3.084 7.889 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.409 5.901 9.735 1.00 0.00 C ATOM 0 H ALA A 76 -6.271 6.860 8.954 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.949 4.337 9.716 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.220 5.254 10.069 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.959 6.393 10.597 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.804 6.654 9.053 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.386 5.044 6.822 1.00 0.00 N ATOM 1070 CA ALA A 77 -8.998 4.439 5.647 1.00 0.00 C ATOM 1071 C ALA A 77 -8.130 3.315 5.091 1.00 0.00 C ATOM 1072 O ALA A 77 -8.602 2.195 4.889 1.00 0.00 O ATOM 1073 CB ALA A 77 -9.246 5.494 4.578 1.00 0.00 C ATOM 0 H ALA A 77 -8.300 6.059 6.777 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.954 4.009 5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.704 5.027 3.706 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.913 6.261 4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.299 5.950 4.290 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.861 3.620 4.847 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.926 2.635 4.313 1.00 0.00 C ATOM 1081 C CYS A 78 -5.799 1.441 5.254 1.00 0.00 C ATOM 1082 O CYS A 78 -5.606 0.309 4.812 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.554 3.272 4.089 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.571 4.681 2.956 1.00 0.00 S ATOM 0 H CYS A 78 -6.455 4.541 5.010 1.00 0.00 H new ATOM 0 HA CYS A 78 -6.314 2.282 3.358 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -4.155 3.597 5.050 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.873 2.515 3.700 1.00 0.00 H new ATOM 0 HG CYS A 78 -3.419 5.282 2.994 1.00 0.00 H new ATOM 1090 N GLN A 79 -5.906 1.704 6.553 1.00 0.00 N ATOM 1091 CA GLN A 79 -5.800 0.651 7.556 1.00 0.00 C ATOM 1092 C GLN A 79 -7.041 -0.236 7.547 1.00 0.00 C ATOM 1093 O GLN A 79 -6.964 -1.430 7.835 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.604 1.259 8.945 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.158 1.612 9.256 1.00 0.00 C ATOM 1096 CD GLN A 79 -3.984 2.186 10.648 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -4.503 3.259 10.959 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -3.251 1.474 11.496 1.00 0.00 N ATOM 0 H GLN A 79 -6.066 2.636 6.935 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.934 0.036 7.311 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.215 2.158 9.029 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -5.967 0.556 9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.540 0.720 9.155 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.798 2.333 8.522 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.839 0.590 11.197 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.100 1.811 12.447 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.183 0.356 7.214 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.440 -0.381 7.166 1.00 0.00 C ATOM 1109 C ALA A 80 -9.587 -1.130 5.845 1.00 0.00 C ATOM 1110 O ALA A 80 -10.193 -2.200 5.791 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.614 0.563 7.373 1.00 0.00 C ATOM 0 H ALA A 80 -8.264 1.344 6.973 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.433 -1.115 7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.546 -0.001 7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.524 1.049 8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.615 1.319 6.588 1.00 0.00 H new ATOM 1117 N ALA A 81 -9.029 -0.560 4.782 1.00 0.00 N ATOM 1118 CA ALA A 81 -9.098 -1.174 3.462 1.00 0.00 C ATOM 1119 C ALA A 81 -8.070 -2.292 3.323 1.00 0.00 C ATOM 1120 O ALA A 81 -8.366 -3.357 2.782 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.889 -0.125 2.380 1.00 0.00 C ATOM 0 H ALA A 81 -8.524 0.326 4.809 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.090 -1.610 3.343 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.943 -0.598 1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.664 0.638 2.458 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.910 0.338 2.506 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.860 -2.042 3.813 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.788 -3.028 3.744 1.00 0.00 C ATOM 1129 C VAL A 82 -6.163 -4.301 4.495 1.00 0.00 C ATOM 1130 O VAL A 82 -5.667 -5.384 4.186 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.475 -2.470 4.324 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.619 -2.206 5.815 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.325 -3.428 4.053 1.00 0.00 C ATOM 0 H VAL A 82 -6.597 -1.165 4.262 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.640 -3.262 2.690 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.254 -1.523 3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.681 -1.812 6.207 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.415 -1.480 5.981 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.864 -3.136 6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.405 -3.019 4.469 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.537 -4.391 4.518 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.209 -3.562 2.978 1.00 0.00 H new ATOM 1143 N ARG A 83 -7.042 -4.162 5.482 1.00 0.00 N ATOM 1144 CA ARG A 83 -7.483 -5.301 6.278 1.00 0.00 C ATOM 1145 C ARG A 83 -8.401 -6.209 5.465 1.00 0.00 C ATOM 1146 O ARG A 83 -8.263 -7.432 5.492 1.00 0.00 O ATOM 1147 CB ARG A 83 -8.207 -4.821 7.536 1.00 0.00 C ATOM 1148 CG ARG A 83 -7.271 -4.469 8.681 1.00 0.00 C ATOM 1149 CD ARG A 83 -8.006 -3.746 9.799 1.00 0.00 C ATOM 1150 NE ARG A 83 -7.136 -3.477 10.941 1.00 0.00 N ATOM 1151 CZ ARG A 83 -6.788 -4.398 11.833 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -7.233 -5.642 11.715 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -5.992 -4.077 12.845 1.00 0.00 N ATOM 0 H ARG A 83 -7.463 -3.272 5.749 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.601 -5.872 6.570 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.808 -3.946 7.287 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.896 -5.598 7.867 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.815 -5.378 9.072 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.461 -3.840 8.310 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.408 -2.806 9.420 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.855 -4.348 10.124 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.776 -2.530 11.060 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.844 -5.894 10.938 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.964 -6.347 12.401 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.646 -3.122 12.939 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.726 -4.785 13.529 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.339 -5.602 4.744 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.280 -6.357 3.925 1.00 0.00 C ATOM 1169 C GLU A 84 -9.562 -7.450 3.138 1.00 0.00 C ATOM 1170 O GLU A 84 -9.971 -8.611 3.151 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.018 -5.422 2.964 1.00 0.00 C ATOM 1172 CG GLU A 84 -12.093 -4.585 3.635 1.00 0.00 C ATOM 1173 CD GLU A 84 -13.031 -3.932 2.637 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -13.975 -4.608 2.180 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -12.819 -2.744 2.316 1.00 0.00 O ATOM 0 H GLU A 84 -9.467 -4.591 4.711 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.004 -6.828 4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.295 -4.758 2.490 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.473 -6.015 2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.670 -5.216 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.621 -3.813 4.243 1.00 0.00 H new ATOM 1182 N THR A 85 -8.488 -7.069 2.453 1.00 0.00 N ATOM 1183 CA THR A 85 -7.714 -8.015 1.659 1.00 0.00 C ATOM 1184 C THR A 85 -7.544 -9.340 2.392 1.00 0.00 C ATOM 1185 O THR A 85 -7.604 -10.410 1.786 1.00 0.00 O ATOM 1186 CB THR A 85 -6.322 -7.451 1.313 1.00 0.00 C ATOM 1187 OG1 THR A 85 -5.584 -7.198 2.514 1.00 0.00 O ATOM 1188 CG2 THR A 85 -6.444 -6.167 0.506 1.00 0.00 C ATOM 0 H THR A 85 -8.135 -6.112 2.432 1.00 0.00 H new ATOM 0 HA THR A 85 -8.271 -8.182 0.737 1.00 0.00 H new ATOM 0 HB THR A 85 -5.793 -8.190 0.711 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.807 -6.306 2.853 1.00 0.00 H new ATOM 0 HG21 THR A 85 -5.449 -5.787 0.274 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.981 -6.369 -0.421 1.00 0.00 H new ATOM 0 HG23 THR A 85 -6.990 -5.423 1.086 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.334 -9.263 3.702 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.158 -10.457 4.521 1.00 0.00 C ATOM 1198 C LYS A 86 -8.018 -11.605 4.001 1.00 0.00 C ATOM 1199 O LYS A 86 -7.512 -12.688 3.707 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.515 -10.158 5.978 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.083 -11.246 6.946 1.00 0.00 C ATOM 1202 CD LYS A 86 -7.556 -10.954 8.360 1.00 0.00 C ATOM 1203 CE LYS A 86 -6.972 -11.943 9.358 1.00 0.00 C ATOM 1204 NZ LYS A 86 -7.775 -12.006 10.611 1.00 0.00 N ATOM 0 H LYS A 86 -7.282 -8.386 4.220 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.111 -10.755 4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.050 -9.217 6.271 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.593 -10.019 6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.483 -12.206 6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.997 -11.333 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.268 -9.941 8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.644 -10.998 8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.928 -12.933 8.905 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.948 -11.656 9.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.345 -12.691 11.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.796 -11.067 11.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.746 -12.305 10.387 1.00 0.00 H new ATOM 1218 N SER A 87 -9.319 -11.359 3.888 1.00 0.00 N ATOM 1219 CA SER A 87 -10.249 -12.374 3.405 1.00 0.00 C ATOM 1220 C SER A 87 -9.921 -12.772 1.969 1.00 0.00 C ATOM 1221 O SER A 87 -9.968 -13.950 1.615 1.00 0.00 O ATOM 1222 CB SER A 87 -11.687 -11.858 3.487 1.00 0.00 C ATOM 1223 OG SER A 87 -12.123 -11.775 4.833 1.00 0.00 O ATOM 0 H SER A 87 -9.753 -10.467 4.124 1.00 0.00 H new ATOM 0 HA SER A 87 -10.149 -13.255 4.040 1.00 0.00 H new ATOM 0 HB2 SER A 87 -11.751 -10.876 3.019 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.347 -12.521 2.928 1.00 0.00 H new ATOM 0 HG SER A 87 -13.044 -11.441 4.859 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.589 -11.781 1.148 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.254 -12.028 -0.250 1.00 0.00 C ATOM 1231 C GLN A 88 -7.967 -12.838 -0.366 1.00 0.00 C ATOM 1232 O GLN A 88 -7.112 -12.797 0.520 1.00 0.00 O ATOM 1233 CB GLN A 88 -9.107 -10.705 -1.002 1.00 0.00 C ATOM 1234 CG GLN A 88 -10.404 -10.212 -1.624 1.00 0.00 C ATOM 1235 CD GLN A 88 -10.626 -10.758 -3.021 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -11.418 -11.679 -3.221 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -9.925 -10.191 -3.996 1.00 0.00 N ATOM 0 H GLN A 88 -9.545 -10.801 1.426 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.065 -12.603 -0.696 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.731 -9.946 -0.316 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -8.359 -10.823 -1.786 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -11.240 -10.501 -0.988 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.394 -9.123 -1.661 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.280 -9.430 -3.784 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.032 -10.516 -4.957 1.00 0.00 H new ATOM 1246 N THR A 89 -7.834 -13.575 -1.464 1.00 0.00 N ATOM 1247 CA THR A 89 -6.652 -14.396 -1.696 1.00 0.00 C ATOM 1248 C THR A 89 -5.662 -13.687 -2.613 1.00 0.00 C ATOM 1249 O THR A 89 -4.629 -14.248 -2.978 1.00 0.00 O ATOM 1250 CB THR A 89 -7.026 -15.756 -2.315 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.912 -15.563 -3.423 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.685 -16.658 -1.283 1.00 0.00 C ATOM 0 H THR A 89 -8.531 -13.620 -2.207 1.00 0.00 H new ATOM 0 HA THR A 89 -6.187 -14.563 -0.725 1.00 0.00 H new ATOM 0 HB THR A 89 -6.111 -16.236 -2.662 1.00 0.00 H new ATOM 0 HG1 THR A 89 -8.144 -16.432 -3.812 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.940 -17.612 -1.744 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.997 -16.827 -0.455 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.592 -16.182 -0.909 1.00 0.00 H new ATOM 1260 N SER A 90 -5.983 -12.451 -2.981 1.00 0.00 N ATOM 1261 CA SER A 90 -5.123 -11.667 -3.859 1.00 0.00 C ATOM 1262 C SER A 90 -4.916 -10.261 -3.302 1.00 0.00 C ATOM 1263 O SER A 90 -5.735 -9.759 -2.532 1.00 0.00 O ATOM 1264 CB SER A 90 -5.726 -11.588 -5.262 1.00 0.00 C ATOM 1265 OG SER A 90 -6.023 -12.880 -5.763 1.00 0.00 O ATOM 0 H SER A 90 -6.833 -11.971 -2.685 1.00 0.00 H new ATOM 0 HA SER A 90 -4.154 -12.163 -3.916 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.635 -10.986 -5.237 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.029 -11.086 -5.933 1.00 0.00 H new ATOM 0 HG SER A 90 -6.409 -12.802 -6.660 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.814 -9.631 -3.698 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.499 -8.283 -3.241 1.00 0.00 C ATOM 1273 C VAL A 91 -2.651 -7.539 -4.267 1.00 0.00 C ATOM 1274 O VAL A 91 -1.518 -7.928 -4.553 1.00 0.00 O ATOM 1275 CB VAL A 91 -2.751 -8.308 -1.894 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -2.376 -6.898 -1.465 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -3.594 -8.992 -0.829 1.00 0.00 C ATOM 0 H VAL A 91 -3.125 -10.033 -4.334 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.448 -7.762 -3.112 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.832 -8.880 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.849 -6.936 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.731 -6.448 -2.219 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.280 -6.298 -1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.050 -9.001 0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.531 -8.450 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.806 -10.017 -1.135 1.00 0.00 H new ATOM 1287 N THR A 92 -3.208 -6.465 -4.819 1.00 0.00 N ATOM 1288 CA THR A 92 -2.504 -5.666 -5.814 1.00 0.00 C ATOM 1289 C THR A 92 -2.030 -4.344 -5.222 1.00 0.00 C ATOM 1290 O THR A 92 -2.812 -3.403 -5.073 1.00 0.00 O ATOM 1291 CB THR A 92 -3.396 -5.378 -7.036 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.954 -6.599 -7.534 1.00 0.00 O ATOM 1293 CG2 THR A 92 -2.601 -4.693 -8.137 1.00 0.00 C ATOM 0 H THR A 92 -4.144 -6.129 -4.594 1.00 0.00 H new ATOM 0 HA THR A 92 -1.640 -6.248 -6.133 1.00 0.00 H new ATOM 0 HB THR A 92 -4.200 -4.713 -6.722 1.00 0.00 H new ATOM 0 HG1 THR A 92 -4.521 -6.407 -8.310 1.00 0.00 H new ATOM 0 HG21 THR A 92 -3.252 -4.500 -8.990 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.202 -3.750 -7.764 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.779 -5.338 -8.447 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.747 -4.277 -4.887 1.00 0.00 N ATOM 1302 CA LEU A 93 -0.168 -3.068 -4.311 1.00 0.00 C ATOM 1303 C LEU A 93 0.470 -2.201 -5.392 1.00 0.00 C ATOM 1304 O LEU A 93 1.231 -2.692 -6.226 1.00 0.00 O ATOM 1305 CB LEU A 93 0.875 -3.432 -3.252 1.00 0.00 C ATOM 1306 CG LEU A 93 0.411 -4.391 -2.156 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.577 -4.783 -1.262 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.705 -3.762 -1.334 1.00 0.00 C ATOM 0 H LEU A 93 -0.087 -5.046 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.971 -2.499 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.735 -3.875 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.221 -2.512 -2.780 1.00 0.00 H new ATOM 0 HG LEU A 93 0.023 -5.293 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.228 -5.466 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.345 -5.274 -1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.995 -3.890 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.023 -4.459 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.343 -2.844 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.550 -3.532 -1.983 1.00 0.00 H new ATOM 1320 N SER A 94 0.155 -0.910 -5.371 1.00 0.00 N ATOM 1321 CA SER A 94 0.696 0.025 -6.350 1.00 0.00 C ATOM 1322 C SER A 94 1.451 1.158 -5.661 1.00 0.00 C ATOM 1323 O SER A 94 0.847 2.030 -5.037 1.00 0.00 O ATOM 1324 CB SER A 94 -0.428 0.598 -7.215 1.00 0.00 C ATOM 1325 OG SER A 94 -0.763 -0.288 -8.269 1.00 0.00 O ATOM 0 H SER A 94 -0.472 -0.488 -4.686 1.00 0.00 H new ATOM 0 HA SER A 94 1.394 -0.518 -6.987 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.307 0.783 -6.598 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.120 1.559 -7.627 1.00 0.00 H new ATOM 0 HG SER A 94 -1.485 0.101 -8.806 1.00 0.00 H new ATOM 1331 N ILE A 95 2.774 1.136 -5.779 1.00 0.00 N ATOM 1332 CA ILE A 95 3.612 2.161 -5.169 1.00 0.00 C ATOM 1333 C ILE A 95 4.248 3.055 -6.229 1.00 0.00 C ATOM 1334 O ILE A 95 4.022 2.874 -7.426 1.00 0.00 O ATOM 1335 CB ILE A 95 4.724 1.538 -4.305 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.705 0.758 -5.182 1.00 0.00 C ATOM 1337 CG2 ILE A 95 4.123 0.634 -3.239 1.00 0.00 C ATOM 1338 CD1 ILE A 95 6.859 1.594 -5.690 1.00 0.00 C ATOM 0 H ILE A 95 3.289 0.420 -6.291 1.00 0.00 H new ATOM 0 HA ILE A 95 2.962 2.762 -4.533 1.00 0.00 H new ATOM 0 HB ILE A 95 5.270 2.340 -3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.100 -0.083 -4.612 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.167 0.341 -6.033 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.922 0.201 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.461 1.217 -2.599 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.555 -0.165 -3.717 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.513 0.976 -6.304 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.474 2.420 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.422 1.989 -4.844 1.00 0.00 H new ATOM 1350 N VAL A 96 5.046 4.019 -5.781 1.00 0.00 N ATOM 1351 CA VAL A 96 5.717 4.939 -6.691 1.00 0.00 C ATOM 1352 C VAL A 96 7.073 4.393 -7.123 1.00 0.00 C ATOM 1353 O VAL A 96 7.855 3.919 -6.299 1.00 0.00 O ATOM 1354 CB VAL A 96 5.916 6.323 -6.044 1.00 0.00 C ATOM 1355 CG1 VAL A 96 4.577 7.017 -5.847 1.00 0.00 C ATOM 1356 CG2 VAL A 96 6.657 6.191 -4.722 1.00 0.00 C ATOM 0 H VAL A 96 5.243 4.183 -4.794 1.00 0.00 H new ATOM 0 HA VAL A 96 5.075 5.044 -7.566 1.00 0.00 H new ATOM 0 HB VAL A 96 6.521 6.935 -6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.737 7.993 -5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.088 7.145 -6.813 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.945 6.411 -5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.789 7.178 -4.279 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.081 5.562 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 96 7.633 5.738 -4.896 1.00 0.00 H new ATOM 1366 N HIS A 97 7.347 4.463 -8.422 1.00 0.00 N ATOM 1367 CA HIS A 97 8.610 3.977 -8.965 1.00 0.00 C ATOM 1368 C HIS A 97 9.450 5.131 -9.504 1.00 0.00 C ATOM 1369 O HIS A 97 9.513 5.353 -10.714 1.00 0.00 O ATOM 1370 CB HIS A 97 8.354 2.956 -10.074 1.00 0.00 C ATOM 1371 CG HIS A 97 9.514 2.043 -10.328 1.00 0.00 C ATOM 1372 ND1 HIS A 97 10.408 2.233 -11.360 1.00 0.00 N ATOM 1373 CD2 HIS A 97 9.925 0.931 -9.675 1.00 0.00 C ATOM 1374 CE1 HIS A 97 11.318 1.275 -11.333 1.00 0.00 C ATOM 1375 NE2 HIS A 97 11.048 0.472 -10.319 1.00 0.00 N ATOM 0 H HIS A 97 6.711 4.852 -9.118 1.00 0.00 H new ATOM 0 HA HIS A 97 9.162 3.495 -8.158 1.00 0.00 H new ATOM 0 HB2 HIS A 97 7.482 2.357 -9.811 1.00 0.00 H new ATOM 0 HB3 HIS A 97 8.111 3.486 -10.995 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.457 0.487 -8.809 1.00 0.00 H new ATOM 0 HE1 HIS A 97 12.142 1.167 -12.022 1.00 0.00 H new ATOM 0 HE2 HIS A 97 11.586 -0.354 -10.057 1.00 0.00 H new ATOM 1383 N CYS A 98 10.092 5.862 -8.600 1.00 0.00 N ATOM 1384 CA CYS A 98 10.927 6.994 -8.985 1.00 0.00 C ATOM 1385 C CYS A 98 12.316 6.526 -9.408 1.00 0.00 C ATOM 1386 O CYS A 98 12.880 5.588 -8.844 1.00 0.00 O ATOM 1387 CB CYS A 98 11.040 7.988 -7.828 1.00 0.00 C ATOM 1388 SG CYS A 98 11.889 7.332 -6.373 1.00 0.00 S ATOM 0 H CYS A 98 10.050 5.691 -7.595 1.00 0.00 H new ATOM 0 HA CYS A 98 10.456 7.489 -9.834 1.00 0.00 H new ATOM 0 HB2 CYS A 98 11.570 8.875 -8.175 1.00 0.00 H new ATOM 0 HB3 CYS A 98 10.039 8.307 -7.538 1.00 0.00 H new ATOM 0 HG CYS A 98 12.656 6.344 -6.727 1.00 0.00 H new ATOM 1394 N PRO A 99 12.881 7.193 -10.425 1.00 0.00 N ATOM 1395 CA PRO A 99 14.211 6.863 -10.947 1.00 0.00 C ATOM 1396 C PRO A 99 15.323 7.219 -9.967 1.00 0.00 C ATOM 1397 O PRO A 99 15.216 8.166 -9.186 1.00 0.00 O ATOM 1398 CB PRO A 99 14.318 7.719 -12.212 1.00 0.00 C ATOM 1399 CG PRO A 99 13.397 8.865 -11.973 1.00 0.00 C ATOM 1400 CD PRO A 99 12.266 8.322 -11.144 1.00 0.00 C ATOM 0 HA PRO A 99 14.324 5.794 -11.128 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.341 8.060 -12.374 1.00 0.00 H new ATOM 0 HB3 PRO A 99 14.026 7.155 -13.098 1.00 0.00 H new ATOM 0 HG2 PRO A 99 13.909 9.675 -11.452 1.00 0.00 H new ATOM 0 HG3 PRO A 99 13.030 9.273 -12.915 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.876 9.072 -10.456 1.00 0.00 H new ATOM 0 HD3 PRO A 99 11.432 7.996 -11.766 1.00 0.00 H new ATOM 1408 N PRO A 100 16.418 6.445 -10.006 1.00 0.00 N ATOM 1409 CA PRO A 100 17.572 6.661 -9.128 1.00 0.00 C ATOM 1410 C PRO A 100 18.338 7.932 -9.479 1.00 0.00 C ATOM 1411 O PRO A 100 19.205 7.924 -10.354 1.00 0.00 O ATOM 1412 CB PRO A 100 18.441 5.426 -9.375 1.00 0.00 C ATOM 1413 CG PRO A 100 18.071 4.970 -10.744 1.00 0.00 C ATOM 1414 CD PRO A 100 16.613 5.300 -10.911 1.00 0.00 C ATOM 0 HA PRO A 100 17.275 6.788 -8.087 1.00 0.00 H new ATOM 0 HB2 PRO A 100 19.502 5.669 -9.312 1.00 0.00 H new ATOM 0 HB3 PRO A 100 18.247 4.651 -8.634 1.00 0.00 H new ATOM 0 HG2 PRO A 100 18.674 5.474 -11.499 1.00 0.00 H new ATOM 0 HG3 PRO A 100 18.245 3.900 -10.859 1.00 0.00 H new ATOM 0 HD2 PRO A 100 16.375 5.558 -11.943 1.00 0.00 H new ATOM 0 HD3 PRO A 100 15.976 4.458 -10.638 1.00 0.00 H new ATOM 1422 N VAL A 101 18.013 9.022 -8.792 1.00 0.00 N ATOM 1423 CA VAL A 101 18.673 10.301 -9.031 1.00 0.00 C ATOM 1424 C VAL A 101 20.189 10.148 -9.016 1.00 0.00 C ATOM 1425 O VAL A 101 20.918 11.112 -8.778 1.00 0.00 O ATOM 1426 CB VAL A 101 18.262 11.349 -7.980 1.00 0.00 C ATOM 1427 CG1 VAL A 101 16.753 11.541 -7.978 1.00 0.00 C ATOM 1428 CG2 VAL A 101 18.758 10.942 -6.600 1.00 0.00 C ATOM 0 H VAL A 101 17.297 9.046 -8.066 1.00 0.00 H new ATOM 0 HA VAL A 101 18.356 10.642 -10.016 1.00 0.00 H new ATOM 0 HB VAL A 101 18.724 12.301 -8.241 1.00 0.00 H new ATOM 0 HG11 VAL A 101 16.482 12.285 -7.229 1.00 0.00 H new ATOM 0 HG12 VAL A 101 16.428 11.881 -8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 101 16.266 10.595 -7.742 1.00 0.00 H new ATOM 0 HG21 VAL A 101 18.459 11.694 -5.870 1.00 0.00 H new ATOM 0 HG22 VAL A 101 18.326 9.979 -6.327 1.00 0.00 H new ATOM 0 HG23 VAL A 101 19.845 10.861 -6.613 1.00 0.00 H new TER 1438 VAL A 101