USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 614 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 Single : A 1 MET CE :methyl -158:sc= -0.255 (180deg=-0.842) USER MOD Single : A 1 MET N :NH3+ -118:sc= -0.913 (180deg=-4!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.99 USER MOD Single : A 6 TYR OH : rot -140:sc= -1.14 USER MOD Single : A 7 TYR OH : rot 65:sc= 0.758 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 14 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -118:sc= -0.0101 (180deg=-1.73!) USER MOD Single : A 20 THR OG1 : rot 146:sc= 0.591 USER MOD Single : A 22 ASN : amide:sc= 0.00717 K(o=0.0072,f=-1.6) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 140:sc= 0.654 (180deg=-0.102) USER MOD Single : A 28 SER OG : rot 180:sc= -1.9! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 75:sc= 1.2 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -48:sc= -1.11 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.398 K(o=-0.4,f=-2.5!) USER MOD Single : A 46 MET CE :methyl 167:sc= -0.0205 (180deg=-0.25) USER MOD Single : A 47 TYR OH : rot -79:sc= 0.0703 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.23 K(o=-1.2,f=-2) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.577 F(o=-1.7,f=-0.58) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 64 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.3!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -93:sc= 1.4 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 103:sc= 1.2 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 155:sc= -0.129 (180deg=-0.545) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.187 12.010 6.905 1.00 5.22 N ATOM 2 CA MET A 1 -2.153 11.033 7.229 1.00 74.11 C ATOM 3 C MET A 1 -2.564 9.635 6.779 1.00 31.14 C ATOM 4 O MET A 1 -3.742 9.283 6.815 1.00 24.44 O ATOM 5 CB MET A 1 -1.872 11.036 8.733 1.00 11.44 C ATOM 6 CG MET A 1 -0.978 9.894 9.187 1.00 21.34 C ATOM 7 SD MET A 1 -0.125 10.252 10.734 1.00 71.11 S ATOM 8 CE MET A 1 0.959 11.584 10.223 1.00 13.15 C ATOM 0 H1 MET A 1 -2.804 12.715 6.243 1.00 5.22 H new ATOM 0 H2 MET A 1 -3.996 11.526 6.466 1.00 5.22 H new ATOM 0 H3 MET A 1 -3.499 12.486 7.775 1.00 5.22 H new ATOM 0 HA MET A 1 -1.244 11.313 6.696 1.00 74.11 H new ATOM 0 HB2 MET A 1 -1.405 11.982 9.005 1.00 11.44 H new ATOM 0 HB3 MET A 1 -2.818 10.982 9.271 1.00 11.44 H new ATOM 0 HG2 MET A 1 -1.580 8.993 9.308 1.00 21.34 H new ATOM 0 HG3 MET A 1 -0.242 9.684 8.411 1.00 21.34 H new ATOM 0 HE1 MET A 1 1.800 11.654 10.913 1.00 13.15 H new ATOM 0 HE2 MET A 1 1.331 11.385 9.218 1.00 13.15 H new ATOM 0 HE3 MET A 1 0.407 12.524 10.227 1.00 13.15 H new ATOM 16 N VAL A 2 -1.584 8.843 6.356 1.00 23.52 N ATOM 17 CA VAL A 2 -1.845 7.483 5.899 1.00 34.41 C ATOM 18 C VAL A 2 -1.072 6.467 6.732 1.00 51.14 C ATOM 19 O VAL A 2 0.089 6.685 7.079 1.00 42.25 O ATOM 20 CB VAL A 2 -1.469 7.307 4.416 1.00 63.44 C ATOM 21 CG1 VAL A 2 -2.191 8.332 3.556 1.00 52.40 C ATOM 22 CG2 VAL A 2 0.038 7.412 4.232 1.00 14.50 C ATOM 0 H VAL A 2 -0.603 9.119 6.320 1.00 23.52 H new ATOM 0 HA VAL A 2 -2.914 7.308 6.018 1.00 34.41 H new ATOM 0 HB VAL A 2 -1.783 6.314 4.096 1.00 63.44 H new ATOM 0 HG11 VAL A 2 -1.912 8.192 2.512 1.00 52.40 H new ATOM 0 HG12 VAL A 2 -3.268 8.204 3.665 1.00 52.40 H new ATOM 0 HG13 VAL A 2 -1.911 9.336 3.874 1.00 52.40 H new ATOM 0 HG21 VAL A 2 0.286 7.285 3.178 1.00 14.50 H new ATOM 0 HG22 VAL A 2 0.378 8.391 4.569 1.00 14.50 H new ATOM 0 HG23 VAL A 2 0.531 6.635 4.816 1.00 14.50 H new ATOM 32 N THR A 3 -1.723 5.353 7.051 1.00 24.04 N ATOM 33 CA THR A 3 -1.099 4.302 7.844 1.00 63.41 C ATOM 34 C THR A 3 -1.202 2.951 7.145 1.00 51.05 C ATOM 35 O THR A 3 -2.261 2.580 6.640 1.00 10.32 O ATOM 36 CB THR A 3 -1.741 4.194 9.240 1.00 32.51 C ATOM 37 OG1 THR A 3 -2.044 5.501 9.742 1.00 12.04 O ATOM 38 CG2 THR A 3 -0.814 3.476 10.209 1.00 74.31 C ATOM 0 H THR A 3 -2.684 5.155 6.772 1.00 24.04 H new ATOM 0 HA THR A 3 -0.049 4.572 7.955 1.00 63.41 H new ATOM 0 HB THR A 3 -2.661 3.617 9.148 1.00 32.51 H new ATOM 0 HG1 THR A 3 -2.453 5.424 10.629 1.00 12.04 H new ATOM 0 HG21 THR A 3 -1.289 3.412 11.188 1.00 74.31 H new ATOM 0 HG22 THR A 3 -0.608 2.471 9.839 1.00 74.31 H new ATOM 0 HG23 THR A 3 0.121 4.029 10.295 1.00 74.31 H new ATOM 46 N VAL A 4 -0.093 2.217 7.120 1.00 34.31 N ATOM 47 CA VAL A 4 -0.058 0.906 6.483 1.00 12.42 C ATOM 48 C VAL A 4 0.372 -0.172 7.471 1.00 42.22 C ATOM 49 O VAL A 4 1.251 0.050 8.304 1.00 63.12 O ATOM 50 CB VAL A 4 0.898 0.892 5.276 1.00 13.13 C ATOM 51 CG1 VAL A 4 0.289 1.645 4.103 1.00 10.35 C ATOM 52 CG2 VAL A 4 2.246 1.486 5.658 1.00 5.50 C ATOM 0 H VAL A 4 0.793 2.509 7.534 1.00 34.31 H new ATOM 0 HA VAL A 4 -1.070 0.696 6.136 1.00 12.42 H new ATOM 0 HB VAL A 4 1.055 -0.143 4.971 1.00 13.13 H new ATOM 0 HG11 VAL A 4 0.979 1.624 3.260 1.00 10.35 H new ATOM 0 HG12 VAL A 4 -0.650 1.172 3.815 1.00 10.35 H new ATOM 0 HG13 VAL A 4 0.101 2.679 4.393 1.00 10.35 H new ATOM 0 HG21 VAL A 4 2.910 1.468 4.793 1.00 5.50 H new ATOM 0 HG22 VAL A 4 2.109 2.515 5.990 1.00 5.50 H new ATOM 0 HG23 VAL A 4 2.686 0.900 6.465 1.00 5.50 H new ATOM 62 N ARG A 5 -0.253 -1.341 7.371 1.00 42.42 N ATOM 63 CA ARG A 5 0.065 -2.455 8.257 1.00 50.21 C ATOM 64 C ARG A 5 0.568 -3.657 7.461 1.00 14.04 C ATOM 65 O ARG A 5 0.198 -3.844 6.302 1.00 1.43 O ATOM 66 CB ARG A 5 -1.165 -2.851 9.076 1.00 32.13 C ATOM 67 CG ARG A 5 -1.282 -2.107 10.397 1.00 2.13 C ATOM 68 CD ARG A 5 -1.947 -2.965 11.462 1.00 4.00 C ATOM 69 NE ARG A 5 -3.392 -2.759 11.507 1.00 11.24 N ATOM 70 CZ ARG A 5 -3.968 -1.723 12.108 1.00 62.43 C ATOM 71 NH1 ARG A 5 -3.225 -0.804 12.709 1.00 44.33 N ATOM 72 NH2 ARG A 5 -5.290 -1.604 12.106 1.00 65.41 N ATOM 0 H ARG A 5 -0.982 -1.541 6.686 1.00 42.42 H new ATOM 0 HA ARG A 5 0.856 -2.133 8.935 1.00 50.21 H new ATOM 0 HB2 ARG A 5 -2.061 -2.665 8.483 1.00 32.13 H new ATOM 0 HB3 ARG A 5 -1.130 -3.922 9.274 1.00 32.13 H new ATOM 0 HG2 ARG A 5 -0.290 -1.807 10.736 1.00 2.13 H new ATOM 0 HG3 ARG A 5 -1.859 -1.194 10.252 1.00 2.13 H new ATOM 0 HD2 ARG A 5 -1.737 -4.016 11.264 1.00 4.00 H new ATOM 0 HD3 ARG A 5 -1.517 -2.732 12.436 1.00 4.00 H new ATOM 0 HE ARG A 5 -3.992 -3.448 11.053 1.00 11.24 H new ATOM 0 HH11 ARG A 5 -2.209 -0.891 12.711 1.00 44.33 H new ATOM 0 HH12 ARG A 5 -3.670 -0.010 13.169 1.00 44.33 H new ATOM 0 HH21 ARG A 5 -5.865 -2.308 11.643 1.00 65.41 H new ATOM 0 HH22 ARG A 5 -5.731 -0.809 12.568 1.00 65.41 H new ATOM 83 N TYR A 6 1.412 -4.465 8.091 1.00 2.13 N ATOM 84 CA TYR A 6 1.967 -5.646 7.441 1.00 1.21 C ATOM 85 C TYR A 6 2.047 -6.817 8.415 1.00 43.42 C ATOM 86 O TYR A 6 2.469 -6.659 9.561 1.00 22.21 O ATOM 87 CB TYR A 6 3.357 -5.340 6.880 1.00 42.10 C ATOM 88 CG TYR A 6 3.423 -4.044 6.102 1.00 64.05 C ATOM 89 CD1 TYR A 6 2.734 -3.894 4.905 1.00 14.42 C ATOM 90 CD2 TYR A 6 4.175 -2.972 6.565 1.00 41.12 C ATOM 91 CE1 TYR A 6 2.792 -2.712 4.192 1.00 12.11 C ATOM 92 CE2 TYR A 6 4.239 -1.786 5.858 1.00 0.50 C ATOM 93 CZ TYR A 6 3.546 -1.661 4.672 1.00 50.12 C ATOM 94 OH TYR A 6 3.606 -0.482 3.965 1.00 43.33 O ATOM 0 H TYR A 6 1.727 -4.324 9.051 1.00 2.13 H new ATOM 0 HA TYR A 6 1.304 -5.923 6.621 1.00 1.21 H new ATOM 0 HB2 TYR A 6 4.071 -5.297 7.703 1.00 42.10 H new ATOM 0 HB3 TYR A 6 3.667 -6.160 6.232 1.00 42.10 H new ATOM 0 HD1 TYR A 6 2.143 -4.715 4.526 1.00 14.42 H new ATOM 0 HD2 TYR A 6 4.719 -3.067 7.493 1.00 41.12 H new ATOM 0 HE1 TYR A 6 2.250 -2.611 3.263 1.00 12.11 H new ATOM 0 HE2 TYR A 6 4.828 -0.962 6.232 1.00 0.50 H new ATOM 0 HH TYR A 6 4.520 -0.130 3.993 1.00 43.33 H new ATOM 103 N TYR A 7 1.640 -7.993 7.951 1.00 3.51 N ATOM 104 CA TYR A 7 1.663 -9.192 8.781 1.00 3.14 C ATOM 105 C TYR A 7 3.045 -9.838 8.767 1.00 15.11 C ATOM 106 O TYR A 7 3.963 -9.353 8.106 1.00 21.25 O ATOM 107 CB TYR A 7 0.616 -10.195 8.293 1.00 3.43 C ATOM 108 CG TYR A 7 -0.754 -9.982 8.897 1.00 1.34 C ATOM 109 CD1 TYR A 7 -1.365 -8.734 8.860 1.00 50.13 C ATOM 110 CD2 TYR A 7 -1.439 -11.027 9.504 1.00 44.14 C ATOM 111 CE1 TYR A 7 -2.616 -8.534 9.411 1.00 50.32 C ATOM 112 CE2 TYR A 7 -2.690 -10.838 10.056 1.00 54.52 C ATOM 113 CZ TYR A 7 -3.274 -9.589 10.008 1.00 15.30 C ATOM 114 OH TYR A 7 -4.521 -9.394 10.557 1.00 0.11 O ATOM 0 H TYR A 7 1.290 -8.142 7.005 1.00 3.51 H new ATOM 0 HA TYR A 7 1.428 -8.899 9.804 1.00 3.14 H new ATOM 0 HB2 TYR A 7 0.540 -10.129 7.208 1.00 3.43 H new ATOM 0 HB3 TYR A 7 0.955 -11.204 8.528 1.00 3.43 H new ATOM 0 HD1 TYR A 7 -0.853 -7.906 8.392 1.00 50.13 H new ATOM 0 HD2 TYR A 7 -0.984 -12.006 9.545 1.00 44.14 H new ATOM 0 HE1 TYR A 7 -3.076 -7.558 9.375 1.00 50.32 H new ATOM 0 HE2 TYR A 7 -3.208 -11.663 10.523 1.00 54.52 H new ATOM 0 HH TYR A 7 -5.158 -9.165 9.849 1.00 0.11 H new ATOM 123 N ALA A 8 3.186 -10.935 9.504 1.00 14.00 N ATOM 124 CA ALA A 8 4.455 -11.649 9.576 1.00 10.12 C ATOM 125 C ALA A 8 4.934 -12.058 8.187 1.00 25.23 C ATOM 126 O ALA A 8 6.129 -12.257 7.964 1.00 11.52 O ATOM 127 CB ALA A 8 4.322 -12.872 10.471 1.00 53.02 C ATOM 0 H ALA A 8 2.437 -11.349 10.060 1.00 14.00 H new ATOM 0 HA ALA A 8 5.198 -10.977 10.005 1.00 10.12 H new ATOM 0 HB1 ALA A 8 5.277 -13.396 10.516 1.00 53.02 H new ATOM 0 HB2 ALA A 8 4.032 -12.559 11.474 1.00 53.02 H new ATOM 0 HB3 ALA A 8 3.561 -13.539 10.065 1.00 53.02 H new ATOM 133 N THR A 9 3.994 -12.183 7.255 1.00 35.12 N ATOM 134 CA THR A 9 4.321 -12.570 5.888 1.00 1.52 C ATOM 135 C THR A 9 5.155 -11.497 5.196 1.00 3.43 C ATOM 136 O THR A 9 6.058 -11.805 4.418 1.00 64.21 O ATOM 137 CB THR A 9 3.049 -12.830 5.059 1.00 34.13 C ATOM 138 OG1 THR A 9 2.243 -11.646 5.014 1.00 50.42 O ATOM 139 CG2 THR A 9 2.241 -13.976 5.649 1.00 74.35 C ATOM 0 H THR A 9 3.001 -12.022 7.422 1.00 35.12 H new ATOM 0 HA THR A 9 4.900 -13.491 5.950 1.00 1.52 H new ATOM 0 HB THR A 9 3.352 -13.103 4.048 1.00 34.13 H new ATOM 0 HG1 THR A 9 1.437 -11.819 4.484 1.00 50.42 H new ATOM 0 HG21 THR A 9 1.348 -14.140 5.046 1.00 74.35 H new ATOM 0 HG22 THR A 9 2.846 -14.883 5.655 1.00 74.35 H new ATOM 0 HG23 THR A 9 1.949 -13.728 6.669 1.00 74.35 H new ATOM 147 N LEU A 10 4.847 -10.238 5.486 1.00 13.22 N ATOM 148 CA LEU A 10 5.570 -9.118 4.893 1.00 3.14 C ATOM 149 C LEU A 10 6.667 -8.620 5.828 1.00 42.52 C ATOM 150 O LEU A 10 7.090 -7.468 5.746 1.00 73.32 O ATOM 151 CB LEU A 10 4.604 -7.977 4.568 1.00 71.12 C ATOM 152 CG LEU A 10 3.865 -8.083 3.233 1.00 1.34 C ATOM 153 CD1 LEU A 10 3.082 -9.385 3.160 1.00 22.55 C ATOM 154 CD2 LEU A 10 2.939 -6.890 3.041 1.00 63.33 C ATOM 0 H LEU A 10 4.102 -9.967 6.128 1.00 13.22 H new ATOM 0 HA LEU A 10 6.036 -9.466 3.971 1.00 3.14 H new ATOM 0 HB2 LEU A 10 3.864 -7.916 5.366 1.00 71.12 H new ATOM 0 HB3 LEU A 10 5.162 -7.041 4.578 1.00 71.12 H new ATOM 0 HG LEU A 10 4.601 -8.080 2.429 1.00 1.34 H new ATOM 0 HD11 LEU A 10 2.562 -9.444 2.204 1.00 22.55 H new ATOM 0 HD12 LEU A 10 3.767 -10.227 3.253 1.00 22.55 H new ATOM 0 HD13 LEU A 10 2.354 -9.418 3.971 1.00 22.55 H new ATOM 0 HD21 LEU A 10 2.421 -6.981 2.086 1.00 63.33 H new ATOM 0 HD22 LEU A 10 2.208 -6.863 3.849 1.00 63.33 H new ATOM 0 HD23 LEU A 10 3.524 -5.970 3.050 1.00 63.33 H new ATOM 165 N ARG A 11 7.124 -9.498 6.716 1.00 31.24 N ATOM 166 CA ARG A 11 8.172 -9.147 7.666 1.00 44.31 C ATOM 167 C ARG A 11 9.461 -8.776 6.941 1.00 74.44 C ATOM 168 O ARG A 11 9.991 -7.674 7.089 1.00 43.41 O ATOM 169 CB ARG A 11 8.431 -10.311 8.625 1.00 64.12 C ATOM 170 CG ARG A 11 9.872 -10.399 9.101 1.00 2.12 C ATOM 171 CD ARG A 11 9.978 -11.157 10.415 1.00 42.32 C ATOM 172 NE ARG A 11 11.318 -11.699 10.628 1.00 25.35 N ATOM 173 CZ ARG A 11 11.802 -12.742 9.962 1.00 1.15 C ATOM 174 NH1 ARG A 11 11.060 -13.351 9.047 1.00 61.53 N ATOM 175 NH2 ARG A 11 13.031 -13.178 10.211 1.00 34.45 N ATOM 0 H ARG A 11 6.785 -10.457 6.797 1.00 31.24 H new ATOM 0 HA ARG A 11 7.835 -8.282 8.237 1.00 44.31 H new ATOM 0 HB2 ARG A 11 7.777 -10.210 9.491 1.00 64.12 H new ATOM 0 HB3 ARG A 11 8.163 -11.245 8.130 1.00 64.12 H new ATOM 0 HG2 ARG A 11 10.477 -10.896 8.343 1.00 2.12 H new ATOM 0 HG3 ARG A 11 10.278 -9.395 9.225 1.00 2.12 H new ATOM 0 HD2 ARG A 11 9.721 -10.492 11.239 1.00 42.32 H new ATOM 0 HD3 ARG A 11 9.252 -11.970 10.424 1.00 42.32 H new ATOM 0 HE ARG A 11 11.914 -11.253 11.325 1.00 25.35 H new ATOM 0 HH11 ARG A 11 10.115 -13.019 8.853 1.00 61.53 H new ATOM 0 HH12 ARG A 11 11.434 -14.151 8.537 1.00 61.53 H new ATOM 0 HH21 ARG A 11 13.605 -12.712 10.914 1.00 34.45 H new ATOM 0 HH22 ARG A 11 13.402 -13.979 9.699 1.00 34.45 H new ATOM 186 N PRO A 12 9.980 -9.715 6.136 1.00 44.42 N ATOM 187 CA PRO A 12 11.214 -9.510 5.372 1.00 72.32 C ATOM 188 C PRO A 12 11.034 -8.501 4.242 1.00 65.34 C ATOM 189 O PRO A 12 12.003 -8.098 3.598 1.00 15.52 O ATOM 190 CB PRO A 12 11.517 -10.899 4.806 1.00 0.44 C ATOM 191 CG PRO A 12 10.193 -11.581 4.747 1.00 13.50 C ATOM 192 CD PRO A 12 9.402 -11.051 5.911 1.00 55.25 C ATOM 0 HA PRO A 12 12.014 -9.104 5.991 1.00 72.32 H new ATOM 0 HB2 PRO A 12 11.973 -10.833 3.818 1.00 0.44 H new ATOM 0 HB3 PRO A 12 12.214 -11.443 5.443 1.00 0.44 H new ATOM 0 HG2 PRO A 12 9.688 -11.372 3.804 1.00 13.50 H new ATOM 0 HG3 PRO A 12 10.308 -12.663 4.814 1.00 13.50 H new ATOM 0 HD2 PRO A 12 8.338 -10.995 5.682 1.00 55.25 H new ATOM 0 HD3 PRO A 12 9.506 -11.687 6.790 1.00 55.25 H new ATOM 197 N ILE A 13 9.790 -8.101 4.005 1.00 22.04 N ATOM 198 CA ILE A 13 9.485 -7.140 2.953 1.00 11.24 C ATOM 199 C ILE A 13 9.442 -5.718 3.503 1.00 21.22 C ATOM 200 O ILE A 13 9.616 -4.748 2.764 1.00 51.34 O ATOM 201 CB ILE A 13 8.138 -7.455 2.275 1.00 65.52 C ATOM 202 CG1 ILE A 13 8.001 -8.962 2.040 1.00 53.33 C ATOM 203 CG2 ILE A 13 8.016 -6.697 0.962 1.00 13.52 C ATOM 204 CD1 ILE A 13 6.705 -9.353 1.367 1.00 52.30 C ATOM 0 H ILE A 13 8.977 -8.427 4.527 1.00 22.04 H new ATOM 0 HA ILE A 13 10.282 -7.219 2.214 1.00 11.24 H new ATOM 0 HB ILE A 13 7.332 -7.133 2.935 1.00 65.52 H new ATOM 0 HG12 ILE A 13 8.836 -9.303 1.428 1.00 53.33 H new ATOM 0 HG13 ILE A 13 8.074 -9.479 2.997 1.00 53.33 H new ATOM 0 HG21 ILE A 13 7.059 -6.930 0.495 1.00 13.52 H new ATOM 0 HG22 ILE A 13 8.075 -5.626 1.154 1.00 13.52 H new ATOM 0 HG23 ILE A 13 8.826 -6.991 0.295 1.00 13.52 H new ATOM 0 HD11 ILE A 13 6.677 -10.434 1.232 1.00 52.30 H new ATOM 0 HD12 ILE A 13 5.865 -9.043 1.988 1.00 52.30 H new ATOM 0 HD13 ILE A 13 6.638 -8.864 0.395 1.00 52.30 H new ATOM 215 N THR A 14 9.211 -5.600 4.807 1.00 41.21 N ATOM 216 CA THR A 14 9.146 -4.298 5.457 1.00 54.21 C ATOM 217 C THR A 14 10.170 -4.194 6.583 1.00 10.05 C ATOM 218 O THR A 14 10.162 -3.236 7.357 1.00 2.42 O ATOM 219 CB THR A 14 7.742 -4.023 6.028 1.00 45.14 C ATOM 220 OG1 THR A 14 6.788 -4.906 5.427 1.00 1.11 O ATOM 221 CG2 THR A 14 7.331 -2.579 5.782 1.00 5.53 C ATOM 0 H THR A 14 9.066 -6.392 5.434 1.00 41.21 H new ATOM 0 HA THR A 14 9.371 -3.553 4.694 1.00 54.21 H new ATOM 0 HB THR A 14 7.770 -4.197 7.104 1.00 45.14 H new ATOM 0 HG1 THR A 14 6.825 -5.779 5.871 1.00 1.11 H new ATOM 0 HG21 THR A 14 6.336 -2.409 6.194 1.00 5.53 H new ATOM 0 HG22 THR A 14 8.043 -1.911 6.265 1.00 5.53 H new ATOM 0 HG23 THR A 14 7.318 -2.382 4.710 1.00 5.53 H new ATOM 229 N LYS A 15 11.050 -5.185 6.668 1.00 54.51 N ATOM 230 CA LYS A 15 12.083 -5.205 7.699 1.00 0.25 C ATOM 231 C LYS A 15 11.475 -4.987 9.081 1.00 52.41 C ATOM 232 O LYS A 15 12.116 -4.428 9.971 1.00 32.11 O ATOM 233 CB LYS A 15 13.134 -4.129 7.417 1.00 2.44 C ATOM 234 CG LYS A 15 13.715 -4.199 6.016 1.00 70.33 C ATOM 235 CD LYS A 15 14.526 -5.468 5.812 1.00 74.41 C ATOM 236 CE LYS A 15 15.489 -5.333 4.642 1.00 74.31 C ATOM 237 NZ LYS A 15 16.274 -6.578 4.422 1.00 44.02 N ATOM 0 H LYS A 15 11.070 -5.985 6.036 1.00 54.51 H new ATOM 0 HA LYS A 15 12.561 -6.184 7.682 1.00 0.25 H new ATOM 0 HB2 LYS A 15 12.686 -3.147 7.567 1.00 2.44 H new ATOM 0 HB3 LYS A 15 13.943 -4.224 8.142 1.00 2.44 H new ATOM 0 HG2 LYS A 15 12.908 -4.160 5.284 1.00 70.33 H new ATOM 0 HG3 LYS A 15 14.348 -3.329 5.840 1.00 70.33 H new ATOM 0 HD2 LYS A 15 15.085 -5.694 6.720 1.00 74.41 H new ATOM 0 HD3 LYS A 15 13.853 -6.307 5.635 1.00 74.41 H new ATOM 0 HE2 LYS A 15 14.930 -5.092 3.738 1.00 74.31 H new ATOM 0 HE3 LYS A 15 16.170 -4.502 4.827 1.00 74.31 H new ATOM 0 HZ1 LYS A 15 16.918 -6.445 3.616 1.00 44.02 H new ATOM 0 HZ2 LYS A 15 16.827 -6.795 5.275 1.00 44.02 H new ATOM 0 HZ3 LYS A 15 15.626 -7.366 4.220 1.00 44.02 H new ATOM 247 N LYS A 16 10.236 -5.434 9.255 1.00 62.00 N ATOM 248 CA LYS A 16 9.543 -5.292 10.530 1.00 52.24 C ATOM 249 C LYS A 16 9.562 -3.841 11.000 1.00 31.14 C ATOM 250 O LYS A 16 10.123 -3.524 12.049 1.00 61.30 O ATOM 251 CB LYS A 16 10.187 -6.190 11.588 1.00 60.24 C ATOM 252 CG LYS A 16 10.476 -7.599 11.096 1.00 12.51 C ATOM 253 CD LYS A 16 11.235 -8.407 12.136 1.00 21.30 C ATOM 254 CE LYS A 16 12.609 -7.814 12.409 1.00 2.45 C ATOM 255 NZ LYS A 16 13.562 -8.836 12.921 1.00 23.41 N ATOM 0 H LYS A 16 9.691 -5.898 8.528 1.00 62.00 H new ATOM 0 HA LYS A 16 8.506 -5.597 10.387 1.00 52.24 H new ATOM 0 HB2 LYS A 16 11.118 -5.733 11.923 1.00 60.24 H new ATOM 0 HB3 LYS A 16 9.529 -6.245 12.455 1.00 60.24 H new ATOM 0 HG2 LYS A 16 9.539 -8.101 10.856 1.00 12.51 H new ATOM 0 HG3 LYS A 16 11.057 -7.552 10.175 1.00 12.51 H new ATOM 0 HD2 LYS A 16 10.661 -8.440 13.062 1.00 21.30 H new ATOM 0 HD3 LYS A 16 11.343 -9.435 11.791 1.00 21.30 H new ATOM 0 HE2 LYS A 16 13.004 -7.376 11.492 1.00 2.45 H new ATOM 0 HE3 LYS A 16 12.518 -7.006 13.135 1.00 2.45 H new ATOM 0 HZ1 LYS A 16 14.486 -8.392 13.095 1.00 23.41 H new ATOM 0 HZ2 LYS A 16 13.198 -9.236 13.809 1.00 23.41 H new ATOM 0 HZ3 LYS A 16 13.669 -9.594 12.218 1.00 23.41 H new ATOM 265 N LYS A 17 8.941 -2.963 10.219 1.00 73.44 N ATOM 266 CA LYS A 17 8.885 -1.545 10.557 1.00 25.44 C ATOM 267 C LYS A 17 7.683 -0.878 9.895 1.00 53.51 C ATOM 268 O LYS A 17 7.510 -0.954 8.680 1.00 1.12 O ATOM 269 CB LYS A 17 10.173 -0.845 10.122 1.00 74.30 C ATOM 270 CG LYS A 17 10.475 0.417 10.912 1.00 51.43 C ATOM 271 CD LYS A 17 9.796 1.633 10.303 1.00 60.31 C ATOM 272 CE LYS A 17 10.215 2.916 11.005 1.00 25.42 C ATOM 273 NZ LYS A 17 9.968 4.116 10.159 1.00 75.25 N ATOM 0 H LYS A 17 8.470 -3.208 9.348 1.00 73.44 H new ATOM 0 HA LYS A 17 8.779 -1.457 11.638 1.00 25.44 H new ATOM 0 HB2 LYS A 17 11.007 -1.538 10.228 1.00 74.30 H new ATOM 0 HB3 LYS A 17 10.100 -0.593 9.064 1.00 74.30 H new ATOM 0 HG2 LYS A 17 10.142 0.291 11.942 1.00 51.43 H new ATOM 0 HG3 LYS A 17 11.553 0.579 10.943 1.00 51.43 H new ATOM 0 HD2 LYS A 17 10.046 1.698 9.244 1.00 60.31 H new ATOM 0 HD3 LYS A 17 8.714 1.518 10.369 1.00 60.31 H new ATOM 0 HE2 LYS A 17 9.667 3.013 11.942 1.00 25.42 H new ATOM 0 HE3 LYS A 17 11.274 2.862 11.259 1.00 25.42 H new ATOM 0 HZ1 LYS A 17 10.871 4.591 9.958 1.00 75.25 H new ATOM 0 HZ2 LYS A 17 9.523 3.825 9.265 1.00 75.25 H new ATOM 0 HZ3 LYS A 17 9.337 4.772 10.662 1.00 75.25 H new ATOM 283 N GLU A 18 6.856 -0.223 10.705 1.00 61.21 N ATOM 284 CA GLU A 18 5.671 0.459 10.197 1.00 44.10 C ATOM 285 C GLU A 18 5.675 1.930 10.599 1.00 55.52 C ATOM 286 O GLU A 18 6.107 2.283 11.697 1.00 60.21 O ATOM 287 CB GLU A 18 4.403 -0.220 10.718 1.00 20.05 C ATOM 288 CG GLU A 18 3.133 0.567 10.439 1.00 62.32 C ATOM 289 CD GLU A 18 2.804 1.554 11.542 1.00 72.01 C ATOM 290 OE1 GLU A 18 2.949 1.190 12.728 1.00 25.24 O ATOM 291 OE2 GLU A 18 2.403 2.692 11.219 1.00 25.40 O ATOM 0 H GLU A 18 6.985 -0.150 11.714 1.00 61.21 H new ATOM 0 HA GLU A 18 5.687 0.398 9.109 1.00 44.10 H new ATOM 0 HB2 GLU A 18 4.316 -1.207 10.263 1.00 20.05 H new ATOM 0 HB3 GLU A 18 4.498 -0.372 11.793 1.00 20.05 H new ATOM 0 HG2 GLU A 18 3.242 1.104 9.497 1.00 62.32 H new ATOM 0 HG3 GLU A 18 2.300 -0.126 10.316 1.00 62.32 H new ATOM 296 N GLU A 19 5.193 2.785 9.703 1.00 11.40 N ATOM 297 CA GLU A 19 5.143 4.219 9.964 1.00 11.34 C ATOM 298 C GLU A 19 4.069 4.889 9.113 1.00 34.55 C ATOM 299 O GLU A 19 3.603 4.326 8.122 1.00 62.01 O ATOM 300 CB GLU A 19 6.504 4.859 9.686 1.00 45.45 C ATOM 301 CG GLU A 19 6.817 5.005 8.206 1.00 62.25 C ATOM 302 CD GLU A 19 6.929 3.668 7.500 1.00 32.51 C ATOM 303 OE1 GLU A 19 8.046 3.110 7.457 1.00 14.33 O ATOM 304 OE2 GLU A 19 5.900 3.180 6.987 1.00 2.20 O ATOM 0 H GLU A 19 4.831 2.510 8.790 1.00 11.40 H new ATOM 0 HA GLU A 19 4.891 4.363 11.015 1.00 11.34 H new ATOM 0 HB2 GLU A 19 6.536 5.843 10.154 1.00 45.45 H new ATOM 0 HB3 GLU A 19 7.282 4.257 10.156 1.00 45.45 H new ATOM 0 HG2 GLU A 19 6.037 5.599 7.730 1.00 62.25 H new ATOM 0 HG3 GLU A 19 7.752 5.553 8.088 1.00 62.25 H new ATOM 309 N THR A 20 3.681 6.099 9.505 1.00 61.20 N ATOM 310 CA THR A 20 2.662 6.847 8.780 1.00 52.31 C ATOM 311 C THR A 20 3.287 7.954 7.939 1.00 64.51 C ATOM 312 O THR A 20 4.441 8.330 8.147 1.00 1.32 O ATOM 313 CB THR A 20 1.631 7.469 9.742 1.00 34.54 C ATOM 314 OG1 THR A 20 2.301 8.080 10.850 1.00 32.44 O ATOM 315 CG2 THR A 20 0.659 6.415 10.248 1.00 61.12 C ATOM 0 H THR A 20 4.058 6.582 10.321 1.00 61.20 H new ATOM 0 HA THR A 20 2.156 6.138 8.125 1.00 52.31 H new ATOM 0 HB THR A 20 1.068 8.227 9.196 1.00 34.54 H new ATOM 0 HG1 THR A 20 1.804 8.875 11.135 1.00 32.44 H new ATOM 0 HG21 THR A 20 -0.059 6.877 10.925 1.00 61.12 H new ATOM 0 HG22 THR A 20 0.129 5.973 9.404 1.00 61.12 H new ATOM 0 HG23 THR A 20 1.209 5.637 10.778 1.00 61.12 H new ATOM 323 N PHE A 21 2.518 8.472 6.987 1.00 34.34 N ATOM 324 CA PHE A 21 2.997 9.537 6.112 1.00 73.21 C ATOM 325 C PHE A 21 2.000 10.692 6.064 1.00 43.24 C ATOM 326 O PHE A 21 0.789 10.480 6.085 1.00 10.51 O ATOM 327 CB PHE A 21 3.239 8.998 4.702 1.00 25.14 C ATOM 328 CG PHE A 21 3.868 9.999 3.776 1.00 21.33 C ATOM 329 CD1 PHE A 21 4.953 10.756 4.187 1.00 31.02 C ATOM 330 CD2 PHE A 21 3.374 10.183 2.494 1.00 51.24 C ATOM 331 CE1 PHE A 21 5.534 11.679 3.337 1.00 4.34 C ATOM 332 CE2 PHE A 21 3.951 11.104 1.640 1.00 74.14 C ATOM 333 CZ PHE A 21 5.033 11.852 2.062 1.00 22.15 C ATOM 0 H PHE A 21 1.561 8.172 6.801 1.00 34.34 H new ATOM 0 HA PHE A 21 3.938 9.909 6.517 1.00 73.21 H new ATOM 0 HB2 PHE A 21 3.880 8.119 4.763 1.00 25.14 H new ATOM 0 HB3 PHE A 21 2.289 8.671 4.279 1.00 25.14 H new ATOM 0 HD1 PHE A 21 5.350 10.624 5.183 1.00 31.02 H new ATOM 0 HD2 PHE A 21 2.529 9.600 2.159 1.00 51.24 H new ATOM 0 HE1 PHE A 21 6.379 12.264 3.670 1.00 4.34 H new ATOM 0 HE2 PHE A 21 3.556 11.239 0.644 1.00 74.14 H new ATOM 0 HZ PHE A 21 5.486 12.571 1.396 1.00 22.15 H new ATOM 342 N ASN A 22 2.521 11.912 5.998 1.00 12.53 N ATOM 343 CA ASN A 22 1.678 13.101 5.948 1.00 11.25 C ATOM 344 C ASN A 22 1.989 13.937 4.710 1.00 61.01 C ATOM 345 O ASN A 22 3.039 13.777 4.088 1.00 31.12 O ATOM 346 CB ASN A 22 1.873 13.945 7.209 1.00 0.10 C ATOM 347 CG ASN A 22 3.286 14.483 7.331 1.00 14.43 C ATOM 348 OD1 ASN A 22 4.249 13.721 7.404 1.00 53.31 O ATOM 349 ND2 ASN A 22 3.415 15.805 7.353 1.00 1.24 N ATOM 0 H ASN A 22 3.523 12.104 5.978 1.00 12.53 H new ATOM 0 HA ASN A 22 0.639 12.776 5.894 1.00 11.25 H new ATOM 0 HB2 ASN A 22 1.170 14.778 7.198 1.00 0.10 H new ATOM 0 HB3 ASN A 22 1.640 13.342 8.086 1.00 0.10 H new ATOM 0 HD21 ASN A 22 4.341 16.226 7.433 1.00 1.24 H new ATOM 0 HD22 ASN A 22 2.588 16.399 7.290 1.00 1.24 H new ATOM 355 N GLY A 23 1.069 14.831 4.359 1.00 1.34 N ATOM 356 CA GLY A 23 1.264 15.680 3.198 1.00 65.24 C ATOM 357 C GLY A 23 0.241 15.417 2.110 1.00 71.32 C ATOM 358 O GLY A 23 -0.391 16.347 1.607 1.00 60.13 O ATOM 0 H GLY A 23 0.192 14.982 4.858 1.00 1.34 H new ATOM 0 HA2 GLY A 23 1.206 16.725 3.502 1.00 65.24 H new ATOM 0 HA3 GLY A 23 2.265 15.519 2.798 1.00 65.24 H new ATOM 362 N ILE A 24 0.078 14.150 1.746 1.00 61.21 N ATOM 363 CA ILE A 24 -0.874 13.770 0.710 1.00 43.30 C ATOM 364 C ILE A 24 -2.006 12.926 1.288 1.00 23.33 C ATOM 365 O ILE A 24 -1.814 12.190 2.256 1.00 1.23 O ATOM 366 CB ILE A 24 -0.190 12.983 -0.423 1.00 40.12 C ATOM 367 CG1 ILE A 24 -1.141 12.826 -1.611 1.00 23.33 C ATOM 368 CG2 ILE A 24 0.269 11.622 0.078 1.00 13.42 C ATOM 369 CD1 ILE A 24 -0.483 13.080 -2.950 1.00 1.23 C ATOM 0 H ILE A 24 0.593 13.369 2.153 1.00 61.21 H new ATOM 0 HA ILE A 24 -1.283 14.695 0.303 1.00 43.30 H new ATOM 0 HB ILE A 24 0.686 13.541 -0.754 1.00 40.12 H new ATOM 0 HG12 ILE A 24 -1.555 11.818 -1.604 1.00 23.33 H new ATOM 0 HG13 ILE A 24 -1.977 13.514 -1.490 1.00 23.33 H new ATOM 0 HG21 ILE A 24 0.750 11.078 -0.735 1.00 13.42 H new ATOM 0 HG22 ILE A 24 0.978 11.755 0.895 1.00 13.42 H new ATOM 0 HG23 ILE A 24 -0.592 11.056 0.433 1.00 13.42 H new ATOM 0 HD11 ILE A 24 -1.216 12.951 -3.746 1.00 1.23 H new ATOM 0 HD12 ILE A 24 -0.094 14.098 -2.977 1.00 1.23 H new ATOM 0 HD13 ILE A 24 0.336 12.375 -3.093 1.00 1.23 H new ATOM 380 N SER A 25 -3.186 13.037 0.686 1.00 60.43 N ATOM 381 CA SER A 25 -4.350 12.286 1.141 1.00 61.01 C ATOM 382 C SER A 25 -4.976 11.503 -0.010 1.00 55.44 C ATOM 383 O SER A 25 -6.180 11.585 -0.250 1.00 35.14 O ATOM 384 CB SER A 25 -5.385 13.231 1.753 1.00 12.32 C ATOM 385 OG SER A 25 -5.063 13.540 3.098 1.00 61.31 O ATOM 0 H SER A 25 -3.361 13.640 -0.118 1.00 60.43 H new ATOM 0 HA SER A 25 -4.020 11.578 1.901 1.00 61.01 H new ATOM 0 HB2 SER A 25 -5.434 14.149 1.168 1.00 12.32 H new ATOM 0 HB3 SER A 25 -6.372 12.771 1.709 1.00 12.32 H new ATOM 0 HG SER A 25 -5.739 14.147 3.465 1.00 61.31 H new ATOM 390 N LYS A 26 -4.148 10.743 -0.718 1.00 24.45 N ATOM 391 CA LYS A 26 -4.618 9.944 -1.844 1.00 63.11 C ATOM 392 C LYS A 26 -3.822 8.647 -1.960 1.00 14.11 C ATOM 393 O LYS A 26 -2.666 8.579 -1.542 1.00 4.30 O ATOM 394 CB LYS A 26 -4.505 10.741 -3.145 1.00 23.01 C ATOM 395 CG LYS A 26 -5.715 11.613 -3.430 1.00 32.43 C ATOM 396 CD LYS A 26 -5.595 12.312 -4.774 1.00 24.22 C ATOM 397 CE LYS A 26 -5.925 11.371 -5.923 1.00 13.42 C ATOM 398 NZ LYS A 26 -7.385 11.348 -6.218 1.00 50.23 N ATOM 0 H LYS A 26 -3.148 10.663 -0.532 1.00 24.45 H new ATOM 0 HA LYS A 26 -5.664 9.694 -1.668 1.00 63.11 H new ATOM 0 HB2 LYS A 26 -3.616 11.371 -3.100 1.00 23.01 H new ATOM 0 HB3 LYS A 26 -4.363 10.048 -3.975 1.00 23.01 H new ATOM 0 HG2 LYS A 26 -6.617 11.001 -3.417 1.00 32.43 H new ATOM 0 HG3 LYS A 26 -5.823 12.357 -2.640 1.00 32.43 H new ATOM 0 HD2 LYS A 26 -6.267 13.170 -4.800 1.00 24.22 H new ATOM 0 HD3 LYS A 26 -4.582 12.696 -4.896 1.00 24.22 H new ATOM 0 HE2 LYS A 26 -5.379 11.680 -6.814 1.00 13.42 H new ATOM 0 HE3 LYS A 26 -5.588 10.364 -5.676 1.00 13.42 H new ATOM 0 HZ1 LYS A 26 -7.531 11.320 -7.247 1.00 50.23 H new ATOM 0 HZ2 LYS A 26 -7.813 10.505 -5.785 1.00 50.23 H new ATOM 0 HZ3 LYS A 26 -7.831 12.203 -5.828 1.00 50.23 H new ATOM 408 N ILE A 27 -4.448 7.623 -2.529 1.00 23.54 N ATOM 409 CA ILE A 27 -3.797 6.330 -2.702 1.00 21.24 C ATOM 410 C ILE A 27 -2.657 6.420 -3.712 1.00 11.33 C ATOM 411 O ILE A 27 -1.726 5.614 -3.686 1.00 51.51 O ATOM 412 CB ILE A 27 -4.796 5.255 -3.168 1.00 3.21 C ATOM 413 CG1 ILE A 27 -5.880 5.042 -2.109 1.00 74.03 C ATOM 414 CG2 ILE A 27 -4.071 3.949 -3.459 1.00 33.43 C ATOM 415 CD1 ILE A 27 -5.373 4.373 -0.850 1.00 14.15 C ATOM 0 H ILE A 27 -5.405 7.663 -2.878 1.00 23.54 H new ATOM 0 HA ILE A 27 -3.397 6.045 -1.729 1.00 21.24 H new ATOM 0 HB ILE A 27 -5.273 5.597 -4.087 1.00 3.21 H new ATOM 0 HG12 ILE A 27 -6.316 6.006 -1.848 1.00 74.03 H new ATOM 0 HG13 ILE A 27 -6.679 4.436 -2.536 1.00 74.03 H new ATOM 0 HG21 ILE A 27 -4.790 3.199 -3.787 1.00 33.43 H new ATOM 0 HG22 ILE A 27 -3.331 4.110 -4.243 1.00 33.43 H new ATOM 0 HG23 ILE A 27 -3.571 3.601 -2.555 1.00 33.43 H new ATOM 0 HD11 ILE A 27 -6.195 4.254 -0.145 1.00 14.15 H new ATOM 0 HD12 ILE A 27 -4.963 3.394 -1.098 1.00 14.15 H new ATOM 0 HD13 ILE A 27 -4.594 4.988 -0.399 1.00 14.15 H new ATOM 426 N SER A 28 -2.735 7.406 -4.600 1.00 3.12 N ATOM 427 CA SER A 28 -1.711 7.600 -5.619 1.00 21.00 C ATOM 428 C SER A 28 -0.325 7.677 -4.988 1.00 34.53 C ATOM 429 O SER A 28 0.586 6.944 -5.372 1.00 31.12 O ATOM 430 CB SER A 28 -1.993 8.872 -6.419 1.00 34.02 C ATOM 431 OG SER A 28 -1.492 8.767 -7.740 1.00 62.33 O ATOM 0 H SER A 28 -3.497 8.083 -4.634 1.00 3.12 H new ATOM 0 HA SER A 28 -1.736 6.744 -6.293 1.00 21.00 H new ATOM 0 HB2 SER A 28 -3.067 9.056 -6.448 1.00 34.02 H new ATOM 0 HB3 SER A 28 -1.536 9.727 -5.921 1.00 34.02 H new ATOM 0 HG SER A 28 -1.687 9.593 -8.230 1.00 62.33 H new ATOM 436 N GLU A 29 -0.173 8.573 -4.017 1.00 32.33 N ATOM 437 CA GLU A 29 1.103 8.749 -3.334 1.00 43.44 C ATOM 438 C GLU A 29 1.368 7.594 -2.371 1.00 12.45 C ATOM 439 O GLU A 29 2.513 7.188 -2.171 1.00 14.20 O ATOM 440 CB GLU A 29 1.121 10.076 -2.572 1.00 32.52 C ATOM 441 CG GLU A 29 2.105 11.087 -3.136 1.00 50.20 C ATOM 442 CD GLU A 29 1.922 11.313 -4.624 1.00 30.15 C ATOM 443 OE1 GLU A 29 0.794 11.108 -5.120 1.00 2.01 O ATOM 444 OE2 GLU A 29 2.905 11.696 -5.293 1.00 4.33 O ATOM 0 H GLU A 29 -0.917 9.187 -3.686 1.00 32.33 H new ATOM 0 HA GLU A 29 1.890 8.760 -4.088 1.00 43.44 H new ATOM 0 HB2 GLU A 29 0.120 10.508 -2.587 1.00 32.52 H new ATOM 0 HB3 GLU A 29 1.369 9.883 -1.528 1.00 32.52 H new ATOM 0 HG2 GLU A 29 1.987 12.035 -2.611 1.00 50.20 H new ATOM 0 HG3 GLU A 29 3.122 10.743 -2.947 1.00 50.20 H new ATOM 449 N LEU A 30 0.300 7.071 -1.778 1.00 60.34 N ATOM 450 CA LEU A 30 0.416 5.963 -0.835 1.00 1.11 C ATOM 451 C LEU A 30 1.073 4.755 -1.493 1.00 73.34 C ATOM 452 O LEU A 30 2.025 4.185 -0.957 1.00 63.41 O ATOM 453 CB LEU A 30 -0.964 5.578 -0.300 1.00 12.34 C ATOM 454 CG LEU A 30 -1.011 4.353 0.615 1.00 11.04 C ATOM 455 CD1 LEU A 30 -0.947 4.774 2.075 1.00 32.45 C ATOM 456 CD2 LEU A 30 -2.268 3.537 0.348 1.00 30.31 C ATOM 0 H LEU A 30 -0.655 7.395 -1.933 1.00 60.34 H new ATOM 0 HA LEU A 30 1.044 6.288 -0.005 1.00 1.11 H new ATOM 0 HB2 LEU A 30 -1.371 6.430 0.245 1.00 12.34 H new ATOM 0 HB3 LEU A 30 -1.624 5.398 -1.149 1.00 12.34 H new ATOM 0 HG LEU A 30 -0.143 3.729 0.400 1.00 11.04 H new ATOM 0 HD11 LEU A 30 -0.982 3.889 2.711 1.00 32.45 H new ATOM 0 HD12 LEU A 30 -0.019 5.316 2.257 1.00 32.45 H new ATOM 0 HD13 LEU A 30 -1.795 5.419 2.305 1.00 32.45 H new ATOM 0 HD21 LEU A 30 -2.285 2.669 1.007 1.00 30.31 H new ATOM 0 HD22 LEU A 30 -3.148 4.153 0.535 1.00 30.31 H new ATOM 0 HD23 LEU A 30 -2.272 3.204 -0.690 1.00 30.31 H new ATOM 467 N LEU A 31 0.563 4.370 -2.658 1.00 14.21 N ATOM 468 CA LEU A 31 1.103 3.230 -3.391 1.00 14.11 C ATOM 469 C LEU A 31 2.492 3.543 -3.939 1.00 13.32 C ATOM 470 O LEU A 31 3.372 2.684 -3.952 1.00 41.13 O ATOM 471 CB LEU A 31 0.166 2.845 -4.536 1.00 32.14 C ATOM 472 CG LEU A 31 -0.921 1.823 -4.200 1.00 15.22 C ATOM 473 CD1 LEU A 31 -1.863 1.637 -5.379 1.00 70.20 C ATOM 474 CD2 LEU A 31 -0.299 0.495 -3.796 1.00 70.31 C ATOM 0 H LEU A 31 -0.224 4.831 -3.115 1.00 14.21 H new ATOM 0 HA LEU A 31 1.186 2.391 -2.700 1.00 14.11 H new ATOM 0 HB2 LEU A 31 -0.316 3.751 -4.904 1.00 32.14 H new ATOM 0 HB3 LEU A 31 0.768 2.449 -5.354 1.00 32.14 H new ATOM 0 HG LEU A 31 -1.499 2.201 -3.357 1.00 15.22 H new ATOM 0 HD11 LEU A 31 -2.629 0.906 -5.121 1.00 70.20 H new ATOM 0 HD12 LEU A 31 -2.336 2.589 -5.621 1.00 70.20 H new ATOM 0 HD13 LEU A 31 -1.300 1.282 -6.242 1.00 70.20 H new ATOM 0 HD21 LEU A 31 -1.088 -0.220 -3.561 1.00 70.31 H new ATOM 0 HD22 LEU A 31 0.305 0.111 -4.618 1.00 70.31 H new ATOM 0 HD23 LEU A 31 0.332 0.641 -2.919 1.00 70.31 H new ATOM 485 N GLU A 32 2.680 4.781 -4.387 1.00 64.22 N ATOM 486 CA GLU A 32 3.963 5.206 -4.935 1.00 12.22 C ATOM 487 C GLU A 32 5.046 5.185 -3.860 1.00 73.44 C ATOM 488 O GLU A 32 6.196 4.836 -4.130 1.00 30.24 O ATOM 489 CB GLU A 32 3.847 6.612 -5.530 1.00 44.02 C ATOM 490 CG GLU A 32 5.040 7.011 -6.382 1.00 54.24 C ATOM 491 CD GLU A 32 6.174 7.593 -5.560 1.00 34.20 C ATOM 492 OE1 GLU A 32 5.889 8.361 -4.617 1.00 54.04 O ATOM 493 OE2 GLU A 32 7.346 7.282 -5.860 1.00 53.30 O ATOM 0 H GLU A 32 1.962 5.505 -4.381 1.00 64.22 H new ATOM 0 HA GLU A 32 4.243 4.507 -5.723 1.00 12.22 H new ATOM 0 HB2 GLU A 32 2.943 6.668 -6.136 1.00 44.02 H new ATOM 0 HB3 GLU A 32 3.732 7.332 -4.720 1.00 44.02 H new ATOM 0 HG2 GLU A 32 5.401 6.139 -6.926 1.00 54.24 H new ATOM 0 HG3 GLU A 32 4.723 7.742 -7.126 1.00 54.24 H new ATOM 498 N ARG A 33 4.672 5.562 -2.643 1.00 70.13 N ATOM 499 CA ARG A 33 5.612 5.589 -1.528 1.00 45.21 C ATOM 500 C ARG A 33 5.871 4.179 -1.002 1.00 11.04 C ATOM 501 O ARG A 33 6.985 3.854 -0.593 1.00 44.43 O ATOM 502 CB ARG A 33 5.075 6.474 -0.402 1.00 75.11 C ATOM 503 CG ARG A 33 5.702 7.858 -0.365 1.00 74.31 C ATOM 504 CD ARG A 33 7.198 7.786 -0.104 1.00 41.23 C ATOM 505 NE ARG A 33 7.632 8.779 0.875 1.00 41.24 N ATOM 506 CZ ARG A 33 7.403 8.674 2.180 1.00 64.51 C ATOM 507 NH1 ARG A 33 6.748 7.625 2.659 1.00 21.20 N ATOM 508 NH2 ARG A 33 7.830 9.619 3.008 1.00 21.25 N ATOM 0 H ARG A 33 3.724 5.853 -2.403 1.00 70.13 H new ATOM 0 HA ARG A 33 6.554 6.003 -1.888 1.00 45.21 H new ATOM 0 HB2 ARG A 33 3.996 6.576 -0.515 1.00 75.11 H new ATOM 0 HB3 ARG A 33 5.250 5.979 0.553 1.00 75.11 H new ATOM 0 HG2 ARG A 33 5.521 8.366 -1.312 1.00 74.31 H new ATOM 0 HG3 ARG A 33 5.224 8.454 0.413 1.00 74.31 H new ATOM 0 HD2 ARG A 33 7.456 6.789 0.253 1.00 41.23 H new ATOM 0 HD3 ARG A 33 7.737 7.939 -1.039 1.00 41.23 H new ATOM 0 HE ARG A 33 8.139 9.598 0.539 1.00 41.24 H new ATOM 0 HH11 ARG A 33 6.419 6.897 2.025 1.00 21.20 H new ATOM 0 HH12 ARG A 33 6.574 7.547 3.661 1.00 21.20 H new ATOM 0 HH21 ARG A 33 8.334 10.427 2.643 1.00 21.25 H new ATOM 0 HH22 ARG A 33 7.654 9.537 4.009 1.00 21.25 H new ATOM 519 N LEU A 34 4.834 3.349 -1.015 1.00 13.11 N ATOM 520 CA LEU A 34 4.948 1.975 -0.539 1.00 70.31 C ATOM 521 C LEU A 34 5.738 1.120 -1.526 1.00 34.02 C ATOM 522 O LEU A 34 6.578 0.312 -1.130 1.00 33.22 O ATOM 523 CB LEU A 34 3.559 1.372 -0.322 1.00 70.34 C ATOM 524 CG LEU A 34 3.165 1.100 1.130 1.00 31.34 C ATOM 525 CD1 LEU A 34 3.085 2.401 1.914 1.00 21.22 C ATOM 526 CD2 LEU A 34 1.838 0.357 1.192 1.00 53.01 C ATOM 0 H LEU A 34 3.905 3.603 -1.350 1.00 13.11 H new ATOM 0 HA LEU A 34 5.483 1.989 0.410 1.00 70.31 H new ATOM 0 HB2 LEU A 34 2.821 2.045 -0.758 1.00 70.34 H new ATOM 0 HB3 LEU A 34 3.501 0.434 -0.875 1.00 70.34 H new ATOM 0 HG LEU A 34 3.933 0.472 1.583 1.00 31.34 H new ATOM 0 HD11 LEU A 34 2.803 2.188 2.945 1.00 21.22 H new ATOM 0 HD12 LEU A 34 4.056 2.896 1.898 1.00 21.22 H new ATOM 0 HD13 LEU A 34 2.338 3.053 1.461 1.00 21.22 H new ATOM 0 HD21 LEU A 34 1.573 0.172 2.233 1.00 53.01 H new ATOM 0 HD22 LEU A 34 1.061 0.960 0.722 1.00 53.01 H new ATOM 0 HD23 LEU A 34 1.928 -0.593 0.666 1.00 53.01 H new ATOM 537 N LYS A 35 5.464 1.307 -2.813 1.00 4.54 N ATOM 538 CA LYS A 35 6.149 0.556 -3.857 1.00 23.51 C ATOM 539 C LYS A 35 7.640 0.879 -3.870 1.00 44.30 C ATOM 540 O LYS A 35 8.475 -0.008 -4.049 1.00 73.24 O ATOM 541 CB LYS A 35 5.538 0.870 -5.225 1.00 55.22 C ATOM 542 CG LYS A 35 6.335 0.310 -6.391 1.00 11.35 C ATOM 543 CD LYS A 35 6.916 1.419 -7.253 1.00 43.53 C ATOM 544 CE LYS A 35 5.849 2.066 -8.121 1.00 32.15 C ATOM 545 NZ LYS A 35 6.434 2.712 -9.329 1.00 25.23 N ATOM 0 H LYS A 35 4.772 1.973 -3.157 1.00 4.54 H new ATOM 0 HA LYS A 35 6.026 -0.506 -3.645 1.00 23.51 H new ATOM 0 HB2 LYS A 35 4.525 0.468 -5.262 1.00 55.22 H new ATOM 0 HB3 LYS A 35 5.456 1.951 -5.338 1.00 55.22 H new ATOM 0 HG2 LYS A 35 7.141 -0.319 -6.013 1.00 11.35 H new ATOM 0 HG3 LYS A 35 5.693 -0.327 -7.000 1.00 11.35 H new ATOM 0 HD2 LYS A 35 7.375 2.174 -6.615 1.00 43.53 H new ATOM 0 HD3 LYS A 35 7.705 1.014 -7.886 1.00 43.53 H new ATOM 0 HE2 LYS A 35 5.124 1.312 -8.427 1.00 32.15 H new ATOM 0 HE3 LYS A 35 5.308 2.810 -7.537 1.00 32.15 H new ATOM 0 HZ1 LYS A 35 5.675 3.142 -9.895 1.00 25.23 H new ATOM 0 HZ2 LYS A 35 7.107 3.449 -9.037 1.00 25.23 H new ATOM 0 HZ3 LYS A 35 6.929 1.997 -9.900 1.00 25.23 H new ATOM 555 N VAL A 36 7.967 2.152 -3.675 1.00 30.30 N ATOM 556 CA VAL A 36 9.358 2.591 -3.660 1.00 22.24 C ATOM 557 C VAL A 36 10.034 2.230 -2.343 1.00 50.20 C ATOM 558 O VAL A 36 11.237 1.973 -2.303 1.00 4.30 O ATOM 559 CB VAL A 36 9.468 4.111 -3.883 1.00 55.43 C ATOM 560 CG1 VAL A 36 8.896 4.868 -2.693 1.00 30.53 C ATOM 561 CG2 VAL A 36 10.916 4.509 -4.130 1.00 2.33 C ATOM 0 H VAL A 36 7.288 2.898 -3.525 1.00 30.30 H new ATOM 0 HA VAL A 36 9.863 2.074 -4.476 1.00 22.24 H new ATOM 0 HB VAL A 36 8.886 4.374 -4.766 1.00 55.43 H new ATOM 0 HG11 VAL A 36 8.982 5.940 -2.868 1.00 30.53 H new ATOM 0 HG12 VAL A 36 7.846 4.605 -2.565 1.00 30.53 H new ATOM 0 HG13 VAL A 36 9.449 4.602 -1.792 1.00 30.53 H new ATOM 0 HG21 VAL A 36 10.976 5.586 -4.286 1.00 2.33 H new ATOM 0 HG22 VAL A 36 11.522 4.233 -3.267 1.00 2.33 H new ATOM 0 HG23 VAL A 36 11.289 3.993 -5.015 1.00 2.33 H new ATOM 571 N GLU A 37 9.253 2.212 -1.268 1.00 75.22 N ATOM 572 CA GLU A 37 9.778 1.882 0.052 1.00 73.10 C ATOM 573 C GLU A 37 10.653 0.634 -0.007 1.00 31.02 C ATOM 574 O GLU A 37 11.785 0.632 0.476 1.00 12.12 O ATOM 575 CB GLU A 37 8.632 1.669 1.042 1.00 12.31 C ATOM 576 CG GLU A 37 8.367 2.870 1.936 1.00 75.33 C ATOM 577 CD GLU A 37 9.220 2.862 3.190 1.00 24.14 C ATOM 578 OE1 GLU A 37 10.207 2.098 3.232 1.00 20.54 O ATOM 579 OE2 GLU A 37 8.899 3.619 4.131 1.00 64.31 O ATOM 0 H GLU A 37 8.255 2.422 -1.285 1.00 75.22 H new ATOM 0 HA GLU A 37 10.390 2.718 0.391 1.00 73.10 H new ATOM 0 HB2 GLU A 37 7.724 1.432 0.488 1.00 12.31 H new ATOM 0 HB3 GLU A 37 8.859 0.805 1.667 1.00 12.31 H new ATOM 0 HG2 GLU A 37 8.559 3.785 1.376 1.00 75.33 H new ATOM 0 HG3 GLU A 37 7.314 2.884 2.217 1.00 75.33 H new ATOM 584 N TYR A 38 10.119 -0.427 -0.602 1.00 45.11 N ATOM 585 CA TYR A 38 10.849 -1.684 -0.722 1.00 10.54 C ATOM 586 C TYR A 38 11.266 -1.935 -2.167 1.00 25.31 C ATOM 587 O TYR A 38 12.366 -2.418 -2.433 1.00 34.33 O ATOM 588 CB TYR A 38 9.991 -2.846 -0.217 1.00 41.24 C ATOM 589 CG TYR A 38 10.792 -4.079 0.136 1.00 10.54 C ATOM 590 CD1 TYR A 38 11.830 -4.018 1.058 1.00 33.14 C ATOM 591 CD2 TYR A 38 10.511 -5.306 -0.453 1.00 1.54 C ATOM 592 CE1 TYR A 38 12.563 -5.142 1.383 1.00 22.20 C ATOM 593 CE2 TYR A 38 11.238 -6.436 -0.132 1.00 32.32 C ATOM 594 CZ TYR A 38 12.263 -6.349 0.786 1.00 1.10 C ATOM 595 OH TYR A 38 12.992 -7.471 1.106 1.00 50.01 O ATOM 0 H TYR A 38 9.184 -0.442 -1.009 1.00 45.11 H new ATOM 0 HA TYR A 38 11.749 -1.613 -0.111 1.00 10.54 H new ATOM 0 HB2 TYR A 38 9.434 -2.521 0.662 1.00 41.24 H new ATOM 0 HB3 TYR A 38 9.258 -3.105 -0.981 1.00 41.24 H new ATOM 0 HD1 TYR A 38 12.067 -3.075 1.528 1.00 33.14 H new ATOM 0 HD2 TYR A 38 9.710 -5.377 -1.174 1.00 1.54 H new ATOM 0 HE1 TYR A 38 13.367 -5.077 2.101 1.00 22.20 H new ATOM 0 HE2 TYR A 38 11.005 -7.382 -0.598 1.00 32.32 H new ATOM 0 HH TYR A 38 12.724 -7.794 1.992 1.00 50.01 H new ATOM 604 N GLY A 39 10.377 -1.604 -3.100 1.00 45.44 N ATOM 605 CA GLY A 39 10.670 -1.801 -4.507 1.00 20.20 C ATOM 606 C GLY A 39 9.671 -2.716 -5.186 1.00 5.11 C ATOM 607 O GLY A 39 8.530 -2.841 -4.739 1.00 72.11 O ATOM 0 H GLY A 39 9.459 -1.203 -2.906 1.00 45.44 H new ATOM 0 HA2 GLY A 39 10.675 -0.835 -5.012 1.00 20.20 H new ATOM 0 HA3 GLY A 39 11.671 -2.220 -4.611 1.00 20.20 H new ATOM 611 N SER A 40 10.097 -3.357 -6.269 1.00 1.41 N ATOM 612 CA SER A 40 9.229 -4.262 -7.013 1.00 22.21 C ATOM 613 C SER A 40 8.848 -5.471 -6.165 1.00 11.42 C ATOM 614 O SER A 40 7.763 -6.031 -6.316 1.00 13.44 O ATOM 615 CB SER A 40 9.920 -4.724 -8.299 1.00 13.45 C ATOM 616 OG SER A 40 10.441 -3.622 -9.021 1.00 11.23 O ATOM 0 H SER A 40 11.038 -3.266 -6.651 1.00 1.41 H new ATOM 0 HA SER A 40 8.319 -3.721 -7.272 1.00 22.21 H new ATOM 0 HB2 SER A 40 10.726 -5.416 -8.054 1.00 13.45 H new ATOM 0 HB3 SER A 40 9.210 -5.268 -8.922 1.00 13.45 H new ATOM 0 HG SER A 40 10.879 -3.943 -9.837 1.00 11.23 H new ATOM 621 N GLU A 41 9.750 -5.867 -5.272 1.00 50.00 N ATOM 622 CA GLU A 41 9.509 -7.011 -4.400 1.00 32.11 C ATOM 623 C GLU A 41 8.158 -6.888 -3.702 1.00 55.14 C ATOM 624 O GLU A 41 7.377 -7.839 -3.663 1.00 73.51 O ATOM 625 CB GLU A 41 10.624 -7.130 -3.359 1.00 71.21 C ATOM 626 CG GLU A 41 11.719 -8.110 -3.749 1.00 14.52 C ATOM 627 CD GLU A 41 11.265 -9.554 -3.667 1.00 0.32 C ATOM 628 OE1 GLU A 41 11.216 -10.097 -2.543 1.00 5.11 O ATOM 629 OE2 GLU A 41 10.958 -10.141 -4.725 1.00 22.10 O ATOM 0 H GLU A 41 10.653 -5.413 -5.134 1.00 50.00 H new ATOM 0 HA GLU A 41 9.499 -7.910 -5.017 1.00 32.11 H new ATOM 0 HB2 GLU A 41 11.067 -6.147 -3.200 1.00 71.21 H new ATOM 0 HB3 GLU A 41 10.191 -7.442 -2.409 1.00 71.21 H new ATOM 0 HG2 GLU A 41 12.050 -7.894 -4.765 1.00 14.52 H new ATOM 0 HG3 GLU A 41 12.580 -7.966 -3.096 1.00 14.52 H new ATOM 634 N PHE A 42 7.889 -5.708 -3.150 1.00 30.12 N ATOM 635 CA PHE A 42 6.634 -5.460 -2.452 1.00 15.31 C ATOM 636 C PHE A 42 5.487 -5.282 -3.442 1.00 13.21 C ATOM 637 O PHE A 42 4.418 -5.873 -3.285 1.00 15.34 O ATOM 638 CB PHE A 42 6.755 -4.218 -1.566 1.00 53.13 C ATOM 639 CG PHE A 42 5.502 -3.902 -0.800 1.00 73.40 C ATOM 640 CD1 PHE A 42 4.747 -4.916 -0.233 1.00 72.42 C ATOM 641 CD2 PHE A 42 5.080 -2.591 -0.648 1.00 20.42 C ATOM 642 CE1 PHE A 42 3.593 -4.628 0.470 1.00 11.12 C ATOM 643 CE2 PHE A 42 3.927 -2.297 0.055 1.00 21.25 C ATOM 644 CZ PHE A 42 3.183 -3.316 0.616 1.00 63.32 C ATOM 0 H PHE A 42 8.524 -4.910 -3.173 1.00 30.12 H new ATOM 0 HA PHE A 42 6.419 -6.325 -1.825 1.00 15.31 H new ATOM 0 HB2 PHE A 42 7.575 -4.362 -0.862 1.00 53.13 H new ATOM 0 HB3 PHE A 42 7.016 -3.362 -2.188 1.00 53.13 H new ATOM 0 HD1 PHE A 42 5.064 -5.943 -0.342 1.00 72.42 H new ATOM 0 HD2 PHE A 42 5.659 -1.790 -1.084 1.00 20.42 H new ATOM 0 HE1 PHE A 42 3.012 -5.427 0.905 1.00 11.12 H new ATOM 0 HE2 PHE A 42 3.608 -1.271 0.165 1.00 21.25 H new ATOM 0 HZ PHE A 42 2.283 -3.088 1.168 1.00 63.32 H new ATOM 653 N THR A 43 5.716 -4.461 -4.462 1.00 12.13 N ATOM 654 CA THR A 43 4.703 -4.203 -5.478 1.00 12.34 C ATOM 655 C THR A 43 4.155 -5.503 -6.052 1.00 45.05 C ATOM 656 O THR A 43 2.947 -5.653 -6.240 1.00 72.15 O ATOM 657 CB THR A 43 5.264 -3.343 -6.626 1.00 24.32 C ATOM 658 OG1 THR A 43 6.378 -2.573 -6.162 1.00 63.24 O ATOM 659 CG2 THR A 43 4.195 -2.415 -7.180 1.00 31.24 C ATOM 0 H THR A 43 6.594 -3.963 -4.606 1.00 12.13 H new ATOM 0 HA THR A 43 3.896 -3.658 -4.987 1.00 12.34 H new ATOM 0 HB THR A 43 5.591 -4.010 -7.423 1.00 24.32 H new ATOM 0 HG1 THR A 43 6.142 -2.132 -5.319 1.00 63.24 H new ATOM 0 HG21 THR A 43 4.615 -1.818 -7.989 1.00 31.24 H new ATOM 0 HG22 THR A 43 3.362 -3.006 -7.560 1.00 31.24 H new ATOM 0 HG23 THR A 43 3.841 -1.755 -6.388 1.00 31.24 H new ATOM 667 N LYS A 44 5.050 -6.446 -6.329 1.00 74.32 N ATOM 668 CA LYS A 44 4.658 -7.737 -6.881 1.00 41.31 C ATOM 669 C LYS A 44 4.020 -8.615 -5.809 1.00 30.22 C ATOM 670 O LYS A 44 3.212 -9.493 -6.115 1.00 55.42 O ATOM 671 CB LYS A 44 5.872 -8.448 -7.482 1.00 63.14 C ATOM 672 CG LYS A 44 6.593 -7.632 -8.542 1.00 42.34 C ATOM 673 CD LYS A 44 5.965 -7.821 -9.912 1.00 70.35 C ATOM 674 CE LYS A 44 6.591 -6.895 -10.943 1.00 35.41 C ATOM 675 NZ LYS A 44 6.002 -7.093 -12.297 1.00 71.43 N ATOM 0 H LYS A 44 6.053 -6.339 -6.180 1.00 74.32 H new ATOM 0 HA LYS A 44 3.923 -7.561 -7.666 1.00 41.31 H new ATOM 0 HB2 LYS A 44 6.573 -8.690 -6.683 1.00 63.14 H new ATOM 0 HB3 LYS A 44 5.549 -9.392 -7.920 1.00 63.14 H new ATOM 0 HG2 LYS A 44 6.566 -6.577 -8.271 1.00 42.34 H new ATOM 0 HG3 LYS A 44 7.642 -7.926 -8.578 1.00 42.34 H new ATOM 0 HD2 LYS A 44 6.087 -8.857 -10.230 1.00 70.35 H new ATOM 0 HD3 LYS A 44 4.894 -7.630 -9.852 1.00 70.35 H new ATOM 0 HE2 LYS A 44 6.450 -5.859 -10.634 1.00 35.41 H new ATOM 0 HE3 LYS A 44 7.666 -7.072 -10.985 1.00 35.41 H new ATOM 0 HZ1 LYS A 44 6.455 -6.444 -12.971 1.00 71.43 H new ATOM 0 HZ2 LYS A 44 6.158 -8.074 -12.603 1.00 71.43 H new ATOM 0 HZ3 LYS A 44 4.981 -6.899 -12.263 1.00 71.43 H new ATOM 685 N GLN A 45 4.386 -8.371 -4.555 1.00 30.43 N ATOM 686 CA GLN A 45 3.847 -9.141 -3.440 1.00 75.24 C ATOM 687 C GLN A 45 2.400 -8.752 -3.159 1.00 2.13 C ATOM 688 O GLN A 45 1.609 -9.567 -2.685 1.00 52.24 O ATOM 689 CB GLN A 45 4.698 -8.924 -2.186 1.00 32.41 C ATOM 690 CG GLN A 45 4.495 -9.990 -1.122 1.00 61.13 C ATOM 691 CD GLN A 45 5.517 -11.106 -1.212 1.00 41.04 C ATOM 692 OE1 GLN A 45 6.424 -11.068 -2.044 1.00 24.34 O ATOM 693 NE2 GLN A 45 5.377 -12.108 -0.351 1.00 60.43 N ATOM 0 H GLN A 45 5.053 -7.647 -4.286 1.00 30.43 H new ATOM 0 HA GLN A 45 3.874 -10.196 -3.712 1.00 75.24 H new ATOM 0 HB2 GLN A 45 5.750 -8.902 -2.470 1.00 32.41 H new ATOM 0 HB3 GLN A 45 4.462 -7.948 -1.761 1.00 32.41 H new ATOM 0 HG2 GLN A 45 4.552 -9.529 -0.136 1.00 61.13 H new ATOM 0 HG3 GLN A 45 3.494 -10.410 -1.220 1.00 61.13 H new ATOM 0 HE21 GLN A 45 4.610 -12.099 0.322 1.00 60.43 H new ATOM 0 HE22 GLN A 45 6.036 -12.886 -0.363 1.00 60.43 H new ATOM 700 N MET A 46 2.059 -7.501 -3.455 1.00 64.35 N ATOM 701 CA MET A 46 0.706 -7.006 -3.236 1.00 34.11 C ATOM 702 C MET A 46 0.023 -6.685 -4.561 1.00 5.33 C ATOM 703 O MET A 46 -1.083 -6.144 -4.585 1.00 73.42 O ATOM 704 CB MET A 46 0.735 -5.759 -2.350 1.00 10.51 C ATOM 705 CG MET A 46 -0.618 -5.409 -1.751 1.00 75.11 C ATOM 706 SD MET A 46 -0.522 -4.055 -0.562 1.00 22.32 S ATOM 707 CE MET A 46 -0.053 -2.698 -1.632 1.00 71.13 C ATOM 0 H MET A 46 2.702 -6.813 -3.847 1.00 64.35 H new ATOM 0 HA MET A 46 0.136 -7.788 -2.734 1.00 34.11 H new ATOM 0 HB2 MET A 46 1.452 -5.913 -1.543 1.00 10.51 H new ATOM 0 HB3 MET A 46 1.093 -4.914 -2.938 1.00 10.51 H new ATOM 0 HG2 MET A 46 -1.306 -5.136 -2.551 1.00 75.11 H new ATOM 0 HG3 MET A 46 -1.033 -6.290 -1.260 1.00 75.11 H new ATOM 0 HE1 MET A 46 -0.177 -1.755 -1.099 1.00 71.13 H new ATOM 0 HE2 MET A 46 0.989 -2.813 -1.929 1.00 71.13 H new ATOM 0 HE3 MET A 46 -0.686 -2.699 -2.520 1.00 71.13 H new ATOM 715 N TYR A 47 0.686 -7.023 -5.661 1.00 43.10 N ATOM 716 CA TYR A 47 0.144 -6.769 -6.990 1.00 25.21 C ATOM 717 C TYR A 47 1.092 -7.278 -8.072 1.00 14.34 C ATOM 718 O TYR A 47 2.022 -6.579 -8.476 1.00 4.21 O ATOM 719 CB TYR A 47 -0.113 -5.274 -7.182 1.00 52.12 C ATOM 720 CG TYR A 47 -1.456 -4.964 -7.804 1.00 42.02 C ATOM 721 CD1 TYR A 47 -2.627 -5.498 -7.279 1.00 75.43 C ATOM 722 CD2 TYR A 47 -1.553 -4.138 -8.918 1.00 52.44 C ATOM 723 CE1 TYR A 47 -3.855 -5.218 -7.846 1.00 1.42 C ATOM 724 CE2 TYR A 47 -2.777 -3.852 -9.489 1.00 11.14 C ATOM 725 CZ TYR A 47 -3.926 -4.395 -8.950 1.00 75.00 C ATOM 726 OH TYR A 47 -5.147 -4.112 -9.516 1.00 3.33 O ATOM 0 H TYR A 47 1.601 -7.474 -5.658 1.00 43.10 H new ATOM 0 HA TYR A 47 -0.800 -7.307 -7.078 1.00 25.21 H new ATOM 0 HB2 TYR A 47 -0.047 -4.776 -6.215 1.00 52.12 H new ATOM 0 HB3 TYR A 47 0.674 -4.857 -7.810 1.00 52.12 H new ATOM 0 HD1 TYR A 47 -2.576 -6.142 -6.414 1.00 75.43 H new ATOM 0 HD2 TYR A 47 -0.656 -3.713 -9.344 1.00 52.44 H new ATOM 0 HE1 TYR A 47 -4.755 -5.642 -7.427 1.00 1.42 H new ATOM 0 HE2 TYR A 47 -2.835 -3.207 -10.353 1.00 11.14 H new ATOM 0 HH TYR A 47 -5.429 -4.863 -10.079 1.00 3.33 H new ATOM 735 N ASP A 48 0.847 -8.498 -8.537 1.00 73.42 N ATOM 736 CA ASP A 48 1.677 -9.101 -9.574 1.00 75.13 C ATOM 737 C ASP A 48 1.034 -8.939 -10.948 1.00 42.33 C ATOM 738 O ASP A 48 0.261 -9.790 -11.386 1.00 62.22 O ATOM 739 CB ASP A 48 1.907 -10.583 -9.276 1.00 12.04 C ATOM 740 CG ASP A 48 3.019 -11.177 -10.116 1.00 31.52 C ATOM 741 OD1 ASP A 48 4.202 -10.965 -9.773 1.00 31.45 O ATOM 742 OD2 ASP A 48 2.708 -11.855 -11.118 1.00 64.11 O ATOM 0 H ASP A 48 0.081 -9.089 -8.213 1.00 73.42 H new ATOM 0 HA ASP A 48 2.638 -8.587 -9.580 1.00 75.13 H new ATOM 0 HB2 ASP A 48 2.149 -10.705 -8.220 1.00 12.04 H new ATOM 0 HB3 ASP A 48 0.984 -11.134 -9.458 1.00 12.04 H new ATOM 746 N GLY A 49 1.357 -7.839 -11.621 1.00 62.40 N ATOM 747 CA GLY A 49 0.800 -7.586 -12.938 1.00 35.32 C ATOM 748 C GLY A 49 -0.557 -6.914 -12.874 1.00 74.44 C ATOM 749 O GLY A 49 -0.669 -5.708 -13.088 1.00 34.43 O ATOM 0 H GLY A 49 1.993 -7.119 -11.279 1.00 62.40 H new ATOM 0 HA2 GLY A 49 1.487 -6.958 -13.505 1.00 35.32 H new ATOM 0 HA3 GLY A 49 0.710 -8.528 -13.478 1.00 35.32 H new ATOM 753 N ASN A 50 -1.590 -7.696 -12.580 1.00 53.30 N ATOM 754 CA ASN A 50 -2.946 -7.168 -12.491 1.00 43.40 C ATOM 755 C ASN A 50 -3.596 -7.561 -11.166 1.00 22.04 C ATOM 756 O ASN A 50 -4.319 -6.771 -10.561 1.00 41.23 O ATOM 757 CB ASN A 50 -3.792 -7.681 -13.657 1.00 33.35 C ATOM 758 CG ASN A 50 -3.418 -7.027 -14.973 1.00 21.21 C ATOM 759 OD1 ASN A 50 -2.340 -7.271 -15.516 1.00 51.04 O ATOM 760 ND2 ASN A 50 -4.309 -6.191 -15.494 1.00 54.22 N ATOM 0 H ASN A 50 -1.514 -8.697 -12.399 1.00 53.30 H new ATOM 0 HA ASN A 50 -2.891 -6.081 -12.541 1.00 43.40 H new ATOM 0 HB2 ASN A 50 -3.670 -8.761 -13.743 1.00 33.35 H new ATOM 0 HB3 ASN A 50 -4.845 -7.495 -13.448 1.00 33.35 H new ATOM 0 HD21 ASN A 50 -4.112 -5.722 -16.378 1.00 54.22 H new ATOM 0 HD22 ASN A 50 -5.190 -6.018 -15.010 1.00 54.22 H new ATOM 766 N ASN A 51 -3.333 -8.786 -10.724 1.00 63.02 N ATOM 767 CA ASN A 51 -3.892 -9.283 -9.472 1.00 25.30 C ATOM 768 C ASN A 51 -2.794 -9.834 -8.567 1.00 21.51 C ATOM 769 O ASN A 51 -1.681 -10.106 -9.018 1.00 61.31 O ATOM 770 CB ASN A 51 -4.932 -10.371 -9.751 1.00 13.23 C ATOM 771 CG ASN A 51 -6.292 -9.795 -10.096 1.00 15.32 C ATOM 772 OD1 ASN A 51 -6.583 -9.514 -11.260 1.00 72.15 O ATOM 773 ND2 ASN A 51 -7.133 -9.614 -9.085 1.00 43.42 N ATOM 0 H ASN A 51 -2.737 -9.453 -11.214 1.00 63.02 H new ATOM 0 HA ASN A 51 -4.375 -8.450 -8.962 1.00 25.30 H new ATOM 0 HB2 ASN A 51 -4.587 -10.998 -10.573 1.00 13.23 H new ATOM 0 HB3 ASN A 51 -5.024 -11.015 -8.876 1.00 13.23 H new ATOM 0 HD21 ASN A 51 -8.062 -9.228 -9.257 1.00 43.42 H new ATOM 0 HD22 ASN A 51 -6.851 -9.861 -8.136 1.00 43.42 H new ATOM 779 N LEU A 52 -3.115 -9.996 -7.289 1.00 0.45 N ATOM 780 CA LEU A 52 -2.157 -10.515 -6.319 1.00 40.10 C ATOM 781 C LEU A 52 -1.503 -11.795 -6.831 1.00 3.44 C ATOM 782 O LEU A 52 -2.035 -12.465 -7.717 1.00 12.52 O ATOM 783 CB LEU A 52 -2.849 -10.782 -4.981 1.00 70.53 C ATOM 784 CG LEU A 52 -3.594 -9.599 -4.363 1.00 21.43 C ATOM 785 CD1 LEU A 52 -2.987 -8.284 -4.827 1.00 43.03 C ATOM 786 CD2 LEU A 52 -5.074 -9.659 -4.714 1.00 13.14 C ATOM 0 H LEU A 52 -4.032 -9.775 -6.900 1.00 0.45 H new ATOM 0 HA LEU A 52 -1.380 -9.764 -6.175 1.00 40.10 H new ATOM 0 HB2 LEU A 52 -3.556 -11.600 -5.118 1.00 70.53 H new ATOM 0 HB3 LEU A 52 -2.099 -11.125 -4.269 1.00 70.53 H new ATOM 0 HG LEU A 52 -3.495 -9.658 -3.279 1.00 21.43 H new ATOM 0 HD11 LEU A 52 -3.531 -7.453 -4.377 1.00 43.03 H new ATOM 0 HD12 LEU A 52 -1.941 -8.239 -4.525 1.00 43.03 H new ATOM 0 HD13 LEU A 52 -3.054 -8.215 -5.913 1.00 43.03 H new ATOM 0 HD21 LEU A 52 -5.589 -8.809 -4.266 1.00 13.14 H new ATOM 0 HD22 LEU A 52 -5.193 -9.625 -5.797 1.00 13.14 H new ATOM 0 HD23 LEU A 52 -5.502 -10.586 -4.331 1.00 13.14 H new ATOM 797 N PHE A 53 -0.348 -12.130 -6.266 1.00 62.12 N ATOM 798 CA PHE A 53 0.378 -13.330 -6.663 1.00 4.05 C ATOM 799 C PHE A 53 -0.254 -14.577 -6.050 1.00 54.23 C ATOM 800 O PHE A 53 -0.773 -15.438 -6.760 1.00 32.41 O ATOM 801 CB PHE A 53 1.845 -13.229 -6.242 1.00 74.22 C ATOM 802 CG PHE A 53 2.614 -14.504 -6.433 1.00 43.31 C ATOM 803 CD1 PHE A 53 2.740 -15.071 -7.691 1.00 35.42 C ATOM 804 CD2 PHE A 53 3.210 -15.138 -5.354 1.00 22.43 C ATOM 805 CE1 PHE A 53 3.448 -16.244 -7.870 1.00 60.30 C ATOM 806 CE2 PHE A 53 3.918 -16.311 -5.527 1.00 62.44 C ATOM 807 CZ PHE A 53 4.037 -16.866 -6.788 1.00 43.42 C ATOM 0 H PHE A 53 0.105 -11.587 -5.531 1.00 62.12 H new ATOM 0 HA PHE A 53 0.324 -13.413 -7.749 1.00 4.05 H new ATOM 0 HB2 PHE A 53 2.325 -12.436 -6.815 1.00 74.22 H new ATOM 0 HB3 PHE A 53 1.894 -12.939 -5.193 1.00 74.22 H new ATOM 0 HD1 PHE A 53 2.279 -14.591 -8.542 1.00 35.42 H new ATOM 0 HD2 PHE A 53 3.120 -14.710 -4.367 1.00 22.43 H new ATOM 0 HE1 PHE A 53 3.540 -16.674 -8.856 1.00 60.30 H new ATOM 0 HE2 PHE A 53 4.378 -16.795 -4.678 1.00 62.44 H new ATOM 0 HZ PHE A 53 4.589 -17.784 -6.926 1.00 43.42 H new ATOM 816 N LYS A 54 -0.206 -14.666 -4.725 1.00 52.22 N ATOM 817 CA LYS A 54 -0.773 -15.805 -4.013 1.00 21.32 C ATOM 818 C LYS A 54 -2.251 -15.576 -3.711 1.00 64.35 C ATOM 819 O LYS A 54 -3.102 -16.379 -4.089 1.00 25.03 O ATOM 820 CB LYS A 54 -0.007 -16.052 -2.711 1.00 31.13 C ATOM 821 CG LYS A 54 -0.504 -17.258 -1.933 1.00 72.13 C ATOM 822 CD LYS A 54 0.453 -17.631 -0.814 1.00 50.42 C ATOM 823 CE LYS A 54 1.421 -18.722 -1.248 1.00 2.14 C ATOM 824 NZ LYS A 54 2.392 -19.062 -0.172 1.00 24.20 N ATOM 0 H LYS A 54 0.220 -13.962 -4.122 1.00 52.22 H new ATOM 0 HA LYS A 54 -0.682 -16.683 -4.652 1.00 21.32 H new ATOM 0 HB2 LYS A 54 1.050 -16.189 -2.941 1.00 31.13 H new ATOM 0 HB3 LYS A 54 -0.084 -15.166 -2.080 1.00 31.13 H new ATOM 0 HG2 LYS A 54 -1.488 -17.043 -1.515 1.00 72.13 H new ATOM 0 HG3 LYS A 54 -0.623 -18.105 -2.609 1.00 72.13 H new ATOM 0 HD2 LYS A 54 1.013 -16.749 -0.504 1.00 50.42 H new ATOM 0 HD3 LYS A 54 -0.114 -17.970 0.053 1.00 50.42 H new ATOM 0 HE2 LYS A 54 0.861 -19.614 -1.527 1.00 2.14 H new ATOM 0 HE3 LYS A 54 1.962 -18.395 -2.136 1.00 2.14 H new ATOM 0 HZ1 LYS A 54 3.034 -19.809 -0.507 1.00 24.20 H new ATOM 0 HZ2 LYS A 54 2.944 -18.217 0.077 1.00 24.20 H new ATOM 0 HZ3 LYS A 54 1.877 -19.398 0.667 1.00 24.20 H new ATOM 834 N ASN A 55 -2.547 -14.476 -3.028 1.00 40.52 N ATOM 835 CA ASN A 55 -3.922 -14.142 -2.676 1.00 0.43 C ATOM 836 C ASN A 55 -3.961 -13.100 -1.562 1.00 11.42 C ATOM 837 O ASN A 55 -4.709 -13.238 -0.594 1.00 42.24 O ATOM 838 CB ASN A 55 -4.679 -15.398 -2.241 1.00 51.41 C ATOM 839 CG ASN A 55 -5.662 -15.874 -3.293 1.00 2.31 C ATOM 840 OD1 ASN A 55 -6.271 -15.070 -3.999 1.00 74.12 O ATOM 841 ND2 ASN A 55 -5.822 -17.188 -3.401 1.00 10.00 N ATOM 0 H ASN A 55 -1.853 -13.800 -2.707 1.00 40.52 H new ATOM 0 HA ASN A 55 -4.405 -13.723 -3.559 1.00 0.43 H new ATOM 0 HB2 ASN A 55 -3.965 -16.194 -2.028 1.00 51.41 H new ATOM 0 HB3 ASN A 55 -5.214 -15.193 -1.314 1.00 51.41 H new ATOM 0 HD21 ASN A 55 -6.471 -17.568 -4.090 1.00 10.00 H new ATOM 0 HD22 ASN A 55 -5.296 -17.817 -2.795 1.00 10.00 H new ATOM 847 N VAL A 56 -3.150 -12.057 -1.706 1.00 14.11 N ATOM 848 CA VAL A 56 -3.091 -10.990 -0.713 1.00 5.15 C ATOM 849 C VAL A 56 -4.399 -10.207 -0.672 1.00 32.01 C ATOM 850 O VAL A 56 -5.007 -9.940 -1.709 1.00 53.51 O ATOM 851 CB VAL A 56 -1.932 -10.019 -1.000 1.00 74.14 C ATOM 852 CG1 VAL A 56 -1.667 -9.131 0.207 1.00 61.32 C ATOM 853 CG2 VAL A 56 -0.679 -10.786 -1.393 1.00 65.30 C ATOM 0 H VAL A 56 -2.524 -11.928 -2.501 1.00 14.11 H new ATOM 0 HA VAL A 56 -2.924 -11.465 0.254 1.00 5.15 H new ATOM 0 HB VAL A 56 -2.216 -9.380 -1.836 1.00 74.14 H new ATOM 0 HG11 VAL A 56 -0.844 -8.451 -0.015 1.00 61.32 H new ATOM 0 HG12 VAL A 56 -2.562 -8.554 0.438 1.00 61.32 H new ATOM 0 HG13 VAL A 56 -1.404 -9.751 1.064 1.00 61.32 H new ATOM 0 HG21 VAL A 56 0.130 -10.083 -1.592 1.00 65.30 H new ATOM 0 HG22 VAL A 56 -0.390 -11.452 -0.580 1.00 65.30 H new ATOM 0 HG23 VAL A 56 -0.878 -11.374 -2.289 1.00 65.30 H new ATOM 863 N ILE A 57 -4.825 -9.841 0.533 1.00 32.34 N ATOM 864 CA ILE A 57 -6.060 -9.086 0.709 1.00 62.32 C ATOM 865 C ILE A 57 -5.813 -7.807 1.500 1.00 74.12 C ATOM 866 O ILE A 57 -5.572 -7.848 2.708 1.00 21.23 O ATOM 867 CB ILE A 57 -7.133 -9.923 1.428 1.00 1.23 C ATOM 868 CG1 ILE A 57 -7.439 -11.194 0.633 1.00 61.51 C ATOM 869 CG2 ILE A 57 -8.397 -9.101 1.631 1.00 24.45 C ATOM 870 CD1 ILE A 57 -8.010 -12.312 1.476 1.00 23.14 C ATOM 0 H ILE A 57 -4.334 -10.055 1.401 1.00 32.34 H new ATOM 0 HA ILE A 57 -6.419 -8.830 -0.288 1.00 62.32 H new ATOM 0 HB ILE A 57 -6.750 -10.214 2.406 1.00 1.23 H new ATOM 0 HG12 ILE A 57 -8.144 -10.954 -0.163 1.00 61.51 H new ATOM 0 HG13 ILE A 57 -6.524 -11.542 0.154 1.00 61.51 H new ATOM 0 HG21 ILE A 57 -9.147 -9.706 2.141 1.00 24.45 H new ATOM 0 HG22 ILE A 57 -8.167 -8.223 2.235 1.00 24.45 H new ATOM 0 HG23 ILE A 57 -8.784 -8.784 0.663 1.00 24.45 H new ATOM 0 HD11 ILE A 57 -8.202 -13.181 0.846 1.00 23.14 H new ATOM 0 HD12 ILE A 57 -7.297 -12.580 2.256 1.00 23.14 H new ATOM 0 HD13 ILE A 57 -8.943 -11.982 1.934 1.00 23.14 H new ATOM 881 N ILE A 58 -5.876 -6.671 0.813 1.00 54.22 N ATOM 882 CA ILE A 58 -5.663 -5.379 1.454 1.00 20.31 C ATOM 883 C ILE A 58 -6.854 -4.453 1.233 1.00 3.41 C ATOM 884 O ILE A 58 -7.386 -4.360 0.126 1.00 43.31 O ATOM 885 CB ILE A 58 -4.390 -4.692 0.925 1.00 62.32 C ATOM 886 CG1 ILE A 58 -4.536 -3.171 0.998 1.00 54.32 C ATOM 887 CG2 ILE A 58 -4.102 -5.134 -0.501 1.00 23.54 C ATOM 888 CD1 ILE A 58 -3.242 -2.427 0.750 1.00 40.42 C ATOM 0 H ILE A 58 -6.073 -6.619 -0.187 1.00 54.22 H new ATOM 0 HA ILE A 58 -5.547 -5.571 2.521 1.00 20.31 H new ATOM 0 HB ILE A 58 -3.549 -4.988 1.553 1.00 62.32 H new ATOM 0 HG12 ILE A 58 -5.277 -2.850 0.266 1.00 54.32 H new ATOM 0 HG13 ILE A 58 -4.920 -2.898 1.981 1.00 54.32 H new ATOM 0 HG21 ILE A 58 -3.199 -4.639 -0.860 1.00 23.54 H new ATOM 0 HG22 ILE A 58 -3.958 -6.214 -0.525 1.00 23.54 H new ATOM 0 HG23 ILE A 58 -4.942 -4.866 -1.142 1.00 23.54 H new ATOM 0 HD11 ILE A 58 -3.421 -1.354 0.817 1.00 40.42 H new ATOM 0 HD12 ILE A 58 -2.505 -2.720 1.498 1.00 40.42 H new ATOM 0 HD13 ILE A 58 -2.867 -2.671 -0.244 1.00 40.42 H new ATOM 899 N LEU A 59 -7.268 -3.768 2.293 1.00 41.42 N ATOM 900 CA LEU A 59 -8.396 -2.846 2.217 1.00 44.30 C ATOM 901 C LEU A 59 -7.961 -1.425 2.558 1.00 11.44 C ATOM 902 O LEU A 59 -6.917 -1.214 3.175 1.00 12.20 O ATOM 903 CB LEU A 59 -9.510 -3.293 3.165 1.00 73.21 C ATOM 904 CG LEU A 59 -10.507 -4.305 2.599 1.00 15.22 C ATOM 905 CD1 LEU A 59 -11.349 -3.669 1.504 1.00 20.52 C ATOM 906 CD2 LEU A 59 -9.780 -5.532 2.070 1.00 4.53 C ATOM 0 H LEU A 59 -6.839 -3.834 3.216 1.00 41.42 H new ATOM 0 HA LEU A 59 -8.773 -2.855 1.194 1.00 44.30 H new ATOM 0 HB2 LEU A 59 -9.051 -3.724 4.055 1.00 73.21 H new ATOM 0 HB3 LEU A 59 -10.062 -2.410 3.487 1.00 73.21 H new ATOM 0 HG LEU A 59 -11.171 -4.620 3.404 1.00 15.22 H new ATOM 0 HD11 LEU A 59 -12.053 -4.404 1.113 1.00 20.52 H new ATOM 0 HD12 LEU A 59 -11.899 -2.822 1.914 1.00 20.52 H new ATOM 0 HD13 LEU A 59 -10.699 -3.325 0.699 1.00 20.52 H new ATOM 0 HD21 LEU A 59 -10.506 -6.241 1.671 1.00 4.53 H new ATOM 0 HD22 LEU A 59 -9.091 -5.234 1.279 1.00 4.53 H new ATOM 0 HD23 LEU A 59 -9.221 -6.001 2.880 1.00 4.53 H new ATOM 917 N VAL A 60 -8.773 -0.451 2.155 1.00 50.44 N ATOM 918 CA VAL A 60 -8.474 0.951 2.422 1.00 33.33 C ATOM 919 C VAL A 60 -9.664 1.653 3.066 1.00 33.01 C ATOM 920 O VAL A 60 -10.703 1.841 2.435 1.00 13.23 O ATOM 921 CB VAL A 60 -8.089 1.698 1.130 1.00 14.43 C ATOM 922 CG1 VAL A 60 -7.599 3.102 1.451 1.00 52.41 C ATOM 923 CG2 VAL A 60 -7.034 0.920 0.360 1.00 2.42 C ATOM 0 H VAL A 60 -9.641 -0.608 1.643 1.00 50.44 H new ATOM 0 HA VAL A 60 -7.629 0.970 3.110 1.00 33.33 H new ATOM 0 HB VAL A 60 -8.976 1.783 0.502 1.00 14.43 H new ATOM 0 HG11 VAL A 60 -7.332 3.614 0.527 1.00 52.41 H new ATOM 0 HG12 VAL A 60 -8.389 3.656 1.958 1.00 52.41 H new ATOM 0 HG13 VAL A 60 -6.725 3.043 2.099 1.00 52.41 H new ATOM 0 HG21 VAL A 60 -6.774 1.462 -0.549 1.00 2.42 H new ATOM 0 HG22 VAL A 60 -6.145 0.802 0.979 1.00 2.42 H new ATOM 0 HG23 VAL A 60 -7.426 -0.063 0.097 1.00 2.42 H new ATOM 933 N ASN A 61 -9.504 2.041 4.328 1.00 64.52 N ATOM 934 CA ASN A 61 -10.565 2.723 5.059 1.00 44.22 C ATOM 935 C ASN A 61 -11.797 1.831 5.186 1.00 53.41 C ATOM 936 O ASN A 61 -12.924 2.279 4.979 1.00 62.31 O ATOM 937 CB ASN A 61 -10.939 4.029 4.356 1.00 51.12 C ATOM 938 CG ASN A 61 -11.905 4.868 5.171 1.00 42.03 C ATOM 939 OD1 ASN A 61 -11.595 5.054 6.448 1.00 23.21 O flip ATOM 940 ND2 ASN A 61 -12.918 5.342 4.657 1.00 75.03 N flip ATOM 0 H ASN A 61 -8.649 1.894 4.865 1.00 64.52 H new ATOM 0 HA ASN A 61 -10.196 2.949 6.059 1.00 44.22 H new ATOM 0 HB2 ASN A 61 -10.035 4.606 4.162 1.00 51.12 H new ATOM 0 HB3 ASN A 61 -11.386 3.802 3.388 1.00 51.12 H new ATOM 0 HD21 ASN A 61 -13.116 5.173 3.671 1.00 75.03 H new ATOM 0 HD22 ASN A 61 -13.559 5.904 5.217 1.00 75.03 H new ATOM 946 N GLY A 62 -11.573 0.567 5.530 1.00 40.31 N ATOM 947 CA GLY A 62 -12.673 -0.368 5.681 1.00 15.25 C ATOM 948 C GLY A 62 -13.586 -0.388 4.470 1.00 10.23 C ATOM 949 O GLY A 62 -14.806 -0.480 4.605 1.00 54.42 O ATOM 0 H GLY A 62 -10.649 0.173 5.707 1.00 40.31 H new ATOM 0 HA2 GLY A 62 -12.275 -1.369 5.849 1.00 15.25 H new ATOM 0 HA3 GLY A 62 -13.253 -0.103 6.565 1.00 15.25 H new ATOM 953 N ASN A 63 -12.994 -0.301 3.284 1.00 13.02 N ATOM 954 CA ASN A 63 -13.763 -0.307 2.044 1.00 54.21 C ATOM 955 C ASN A 63 -12.838 -0.310 0.831 1.00 1.24 C ATOM 956 O ASN A 63 -12.097 0.645 0.600 1.00 63.42 O ATOM 957 CB ASN A 63 -14.691 0.908 1.989 1.00 30.32 C ATOM 958 CG ASN A 63 -15.524 0.943 0.721 1.00 51.45 C ATOM 959 OD1 ASN A 63 -15.440 1.888 -0.064 1.00 50.43 O ATOM 960 ND2 ASN A 63 -16.332 -0.090 0.516 1.00 50.43 N ATOM 0 H ASN A 63 -11.985 -0.226 3.155 1.00 13.02 H new ATOM 0 HA ASN A 63 -14.364 -1.216 2.023 1.00 54.21 H new ATOM 0 HB2 ASN A 63 -15.353 0.896 2.855 1.00 30.32 H new ATOM 0 HB3 ASN A 63 -14.096 1.819 2.055 1.00 30.32 H new ATOM 0 HD21 ASN A 63 -16.916 -0.123 -0.320 1.00 50.43 H new ATOM 0 HD22 ASN A 63 -16.369 -0.851 1.194 1.00 50.43 H new ATOM 966 N ASN A 64 -12.888 -1.390 0.058 1.00 54.31 N ATOM 967 CA ASN A 64 -12.055 -1.517 -1.132 1.00 44.12 C ATOM 968 C ASN A 64 -12.196 -0.291 -2.029 1.00 44.12 C ATOM 969 O ASN A 64 -13.305 0.092 -2.403 1.00 0.43 O ATOM 970 CB ASN A 64 -12.432 -2.779 -1.911 1.00 24.33 C ATOM 971 CG ASN A 64 -13.931 -3.012 -1.945 1.00 34.42 C ATOM 972 OD1 ASN A 64 -14.718 -2.067 -1.880 1.00 61.02 O ATOM 973 ND2 ASN A 64 -14.331 -4.273 -2.048 1.00 24.31 N ATOM 0 H ASN A 64 -13.496 -2.189 0.234 1.00 54.31 H new ATOM 0 HA ASN A 64 -11.016 -1.592 -0.811 1.00 44.12 H new ATOM 0 HB2 ASN A 64 -12.056 -2.699 -2.931 1.00 24.33 H new ATOM 0 HB3 ASN A 64 -11.943 -3.642 -1.458 1.00 24.33 H new ATOM 0 HD21 ASN A 64 -15.327 -4.491 -2.076 1.00 24.31 H new ATOM 0 HD22 ASN A 64 -13.643 -5.024 -2.099 1.00 24.31 H new ATOM 979 N ILE A 65 -11.066 0.318 -2.371 1.00 13.54 N ATOM 980 CA ILE A 65 -11.064 1.499 -3.225 1.00 43.10 C ATOM 981 C ILE A 65 -11.785 1.227 -4.540 1.00 31.45 C ATOM 982 O ILE A 65 -12.324 2.141 -5.167 1.00 4.31 O ATOM 983 CB ILE A 65 -9.630 1.972 -3.527 1.00 14.20 C ATOM 984 CG1 ILE A 65 -8.860 0.889 -4.286 1.00 4.41 C ATOM 985 CG2 ILE A 65 -8.910 2.337 -2.237 1.00 42.24 C ATOM 986 CD1 ILE A 65 -7.430 1.269 -4.595 1.00 64.13 C ATOM 0 H ILE A 65 -10.140 0.013 -2.070 1.00 13.54 H new ATOM 0 HA ILE A 65 -11.590 2.283 -2.681 1.00 43.10 H new ATOM 0 HB ILE A 65 -9.682 2.861 -4.155 1.00 14.20 H new ATOM 0 HG12 ILE A 65 -8.865 -0.029 -3.698 1.00 4.41 H new ATOM 0 HG13 ILE A 65 -9.379 0.672 -5.219 1.00 4.41 H new ATOM 0 HG21 ILE A 65 -7.898 2.669 -2.467 1.00 42.24 H new ATOM 0 HG22 ILE A 65 -9.450 3.139 -1.733 1.00 42.24 H new ATOM 0 HG23 ILE A 65 -8.866 1.464 -1.585 1.00 42.24 H new ATOM 0 HD11 ILE A 65 -6.945 0.455 -5.134 1.00 64.13 H new ATOM 0 HD12 ILE A 65 -7.417 2.169 -5.210 1.00 64.13 H new ATOM 0 HD13 ILE A 65 -6.895 1.458 -3.665 1.00 64.13 H new ATOM 997 N THR A 66 -11.794 -0.036 -4.954 1.00 60.55 N ATOM 998 CA THR A 66 -12.449 -0.429 -6.196 1.00 54.34 C ATOM 999 C THR A 66 -13.942 -0.123 -6.149 1.00 25.44 C ATOM 1000 O THR A 66 -14.572 0.097 -7.183 1.00 4.32 O ATOM 1001 CB THR A 66 -12.252 -1.929 -6.484 1.00 11.14 C ATOM 1002 OG1 THR A 66 -12.870 -2.711 -5.455 1.00 71.45 O ATOM 1003 CG2 THR A 66 -10.773 -2.274 -6.571 1.00 21.10 C ATOM 0 H THR A 66 -11.355 -0.805 -4.447 1.00 60.55 H new ATOM 0 HA THR A 66 -11.987 0.150 -6.996 1.00 54.34 H new ATOM 0 HB THR A 66 -12.719 -2.157 -7.442 1.00 11.14 H new ATOM 0 HG1 THR A 66 -12.742 -3.664 -5.646 1.00 71.45 H new ATOM 0 HG21 THR A 66 -10.659 -3.339 -6.775 1.00 21.10 H new ATOM 0 HG22 THR A 66 -10.312 -1.699 -7.374 1.00 21.10 H new ATOM 0 HG23 THR A 66 -10.287 -2.032 -5.626 1.00 21.10 H new ATOM 1011 N SER A 67 -14.502 -0.112 -4.943 1.00 33.54 N ATOM 1012 CA SER A 67 -15.922 0.164 -4.763 1.00 34.52 C ATOM 1013 C SER A 67 -16.329 1.430 -5.512 1.00 15.14 C ATOM 1014 O SER A 67 -17.418 1.505 -6.080 1.00 44.20 O ATOM 1015 CB SER A 67 -16.250 0.310 -3.276 1.00 24.34 C ATOM 1016 OG SER A 67 -17.508 0.936 -3.090 1.00 4.42 O ATOM 0 H SER A 67 -13.994 -0.291 -4.077 1.00 33.54 H new ATOM 0 HA SER A 67 -16.485 -0.675 -5.171 1.00 34.52 H new ATOM 0 HB2 SER A 67 -16.256 -0.672 -2.804 1.00 24.34 H new ATOM 0 HB3 SER A 67 -15.473 0.895 -2.785 1.00 24.34 H new ATOM 0 HG SER A 67 -17.380 1.901 -2.980 1.00 4.42 H new ATOM 1021 N MET A 68 -15.446 2.423 -5.507 1.00 60.23 N ATOM 1022 CA MET A 68 -15.712 3.686 -6.186 1.00 64.34 C ATOM 1023 C MET A 68 -14.582 4.033 -7.150 1.00 12.10 C ATOM 1024 O MET A 68 -14.726 3.902 -8.366 1.00 64.43 O ATOM 1025 CB MET A 68 -15.891 4.810 -5.166 1.00 33.12 C ATOM 1026 CG MET A 68 -15.173 4.558 -3.851 1.00 52.53 C ATOM 1027 SD MET A 68 -16.214 3.721 -2.639 1.00 32.03 S ATOM 1028 CE MET A 68 -16.490 5.042 -1.462 1.00 2.54 C ATOM 0 H MET A 68 -14.540 2.378 -5.040 1.00 60.23 H new ATOM 0 HA MET A 68 -16.633 3.575 -6.758 1.00 64.34 H new ATOM 0 HB2 MET A 68 -15.526 5.742 -5.597 1.00 33.12 H new ATOM 0 HB3 MET A 68 -16.955 4.945 -4.970 1.00 33.12 H new ATOM 0 HG2 MET A 68 -14.283 3.956 -4.037 1.00 52.53 H new ATOM 0 HG3 MET A 68 -14.835 5.508 -3.439 1.00 52.53 H new ATOM 0 HE1 MET A 68 -17.120 4.680 -0.649 1.00 2.54 H new ATOM 0 HE2 MET A 68 -15.534 5.376 -1.059 1.00 2.54 H new ATOM 0 HE3 MET A 68 -16.985 5.876 -1.960 1.00 2.54 H new ATOM 1036 N LYS A 69 -13.457 4.477 -6.601 1.00 54.34 N ATOM 1037 CA LYS A 69 -12.301 4.843 -7.410 1.00 54.14 C ATOM 1038 C LYS A 69 -11.055 4.094 -6.949 1.00 21.32 C ATOM 1039 O LYS A 69 -10.726 4.086 -5.764 1.00 31.13 O ATOM 1040 CB LYS A 69 -12.058 6.353 -7.336 1.00 12.41 C ATOM 1041 CG LYS A 69 -12.958 7.160 -8.256 1.00 20.11 C ATOM 1042 CD LYS A 69 -13.052 8.610 -7.812 1.00 13.22 C ATOM 1043 CE LYS A 69 -13.598 9.497 -8.919 1.00 32.54 C ATOM 1044 NZ LYS A 69 -15.087 9.503 -8.943 1.00 0.11 N ATOM 0 H LYS A 69 -13.321 4.592 -5.597 1.00 54.34 H new ATOM 0 HA LYS A 69 -12.509 4.565 -8.443 1.00 54.14 H new ATOM 0 HB2 LYS A 69 -12.209 6.687 -6.309 1.00 12.41 H new ATOM 0 HB3 LYS A 69 -11.018 6.558 -7.588 1.00 12.41 H new ATOM 0 HG2 LYS A 69 -12.573 7.115 -9.275 1.00 20.11 H new ATOM 0 HG3 LYS A 69 -13.954 6.718 -8.272 1.00 20.11 H new ATOM 0 HD2 LYS A 69 -13.696 8.682 -6.935 1.00 13.22 H new ATOM 0 HD3 LYS A 69 -12.066 8.965 -7.513 1.00 13.22 H new ATOM 0 HE2 LYS A 69 -13.233 10.515 -8.782 1.00 32.54 H new ATOM 0 HE3 LYS A 69 -13.221 9.150 -9.881 1.00 32.54 H new ATOM 0 HZ1 LYS A 69 -15.419 10.119 -9.712 1.00 0.11 H new ATOM 0 HZ2 LYS A 69 -15.436 8.536 -9.100 1.00 0.11 H new ATOM 0 HZ3 LYS A 69 -15.447 9.858 -8.034 1.00 0.11 H new ATOM 1054 N GLY A 70 -10.364 3.466 -7.897 1.00 41.11 N ATOM 1055 CA GLY A 70 -9.161 2.724 -7.568 1.00 12.00 C ATOM 1056 C GLY A 70 -8.109 3.590 -6.903 1.00 44.31 C ATOM 1057 O GLY A 70 -8.172 3.839 -5.698 1.00 51.13 O ATOM 0 H GLY A 70 -10.616 3.458 -8.885 1.00 41.11 H new ATOM 0 HA2 GLY A 70 -9.418 1.897 -6.906 1.00 12.00 H new ATOM 0 HA3 GLY A 70 -8.747 2.288 -8.477 1.00 12.00 H new ATOM 1061 N LEU A 71 -7.140 4.047 -7.686 1.00 74.25 N ATOM 1062 CA LEU A 71 -6.067 4.888 -7.165 1.00 31.12 C ATOM 1063 C LEU A 71 -6.554 6.317 -6.946 1.00 13.11 C ATOM 1064 O LEU A 71 -5.917 7.100 -6.241 1.00 62.01 O ATOM 1065 CB LEU A 71 -4.877 4.885 -8.126 1.00 62.35 C ATOM 1066 CG LEU A 71 -3.563 5.434 -7.569 1.00 12.23 C ATOM 1067 CD1 LEU A 71 -2.617 4.297 -7.216 1.00 52.44 C ATOM 1068 CD2 LEU A 71 -2.914 6.379 -8.569 1.00 54.05 C ATOM 0 H LEU A 71 -7.074 3.850 -8.685 1.00 74.25 H new ATOM 0 HA LEU A 71 -5.752 4.479 -6.205 1.00 31.12 H new ATOM 0 HB2 LEU A 71 -4.707 3.861 -8.459 1.00 62.35 H new ATOM 0 HB3 LEU A 71 -5.146 5.467 -9.008 1.00 62.35 H new ATOM 0 HG LEU A 71 -3.781 5.993 -6.659 1.00 12.23 H new ATOM 0 HD11 LEU A 71 -1.687 4.707 -6.821 1.00 52.44 H new ATOM 0 HD12 LEU A 71 -3.080 3.658 -6.464 1.00 52.44 H new ATOM 0 HD13 LEU A 71 -2.404 3.710 -8.109 1.00 52.44 H new ATOM 0 HD21 LEU A 71 -1.980 6.760 -8.156 1.00 54.05 H new ATOM 0 HD22 LEU A 71 -2.709 5.843 -9.496 1.00 54.05 H new ATOM 0 HD23 LEU A 71 -3.587 7.212 -8.773 1.00 54.05 H new ATOM 1079 N ASP A 72 -7.689 6.650 -7.553 1.00 44.12 N ATOM 1080 CA ASP A 72 -8.264 7.983 -7.422 1.00 52.24 C ATOM 1081 C ASP A 72 -8.926 8.157 -6.059 1.00 10.15 C ATOM 1082 O ASP A 72 -9.322 9.262 -5.685 1.00 33.14 O ATOM 1083 CB ASP A 72 -9.282 8.234 -8.534 1.00 21.32 C ATOM 1084 CG ASP A 72 -8.685 8.984 -9.708 1.00 74.33 C ATOM 1085 OD1 ASP A 72 -8.197 10.116 -9.503 1.00 42.40 O ATOM 1086 OD2 ASP A 72 -8.705 8.441 -10.833 1.00 31.32 O ATOM 0 H ASP A 72 -8.228 6.014 -8.141 1.00 44.12 H new ATOM 0 HA ASP A 72 -7.457 8.711 -7.509 1.00 52.24 H new ATOM 0 HB2 ASP A 72 -9.680 7.280 -8.881 1.00 21.32 H new ATOM 0 HB3 ASP A 72 -10.121 8.802 -8.133 1.00 21.32 H new ATOM 1090 N THR A 73 -9.047 7.059 -5.320 1.00 41.33 N ATOM 1091 CA THR A 73 -9.664 7.089 -4.000 1.00 72.22 C ATOM 1092 C THR A 73 -8.889 7.998 -3.052 1.00 33.24 C ATOM 1093 O THR A 73 -7.675 7.865 -2.905 1.00 51.22 O ATOM 1094 CB THR A 73 -9.747 5.679 -3.387 1.00 4.24 C ATOM 1095 OG1 THR A 73 -11.080 5.168 -3.512 1.00 15.31 O ATOM 1096 CG2 THR A 73 -9.344 5.701 -1.920 1.00 73.13 C ATOM 0 H THR A 73 -8.725 6.137 -5.614 1.00 41.33 H new ATOM 0 HA THR A 73 -10.673 7.480 -4.131 1.00 72.22 H new ATOM 0 HB THR A 73 -9.057 5.031 -3.928 1.00 4.24 H new ATOM 0 HG1 THR A 73 -11.115 4.521 -4.247 1.00 15.31 H new ATOM 0 HG21 THR A 73 -9.411 4.694 -1.509 1.00 73.13 H new ATOM 0 HG22 THR A 73 -8.320 6.063 -1.829 1.00 73.13 H new ATOM 0 HG23 THR A 73 -10.012 6.363 -1.369 1.00 73.13 H new ATOM 1104 N GLU A 74 -9.601 8.921 -2.411 1.00 72.54 N ATOM 1105 CA GLU A 74 -8.978 9.851 -1.477 1.00 33.04 C ATOM 1106 C GLU A 74 -8.918 9.255 -0.075 1.00 2.41 C ATOM 1107 O GLU A 74 -9.885 8.658 0.400 1.00 72.02 O ATOM 1108 CB GLU A 74 -9.750 11.172 -1.449 1.00 72.32 C ATOM 1109 CG GLU A 74 -11.231 11.007 -1.148 1.00 65.44 C ATOM 1110 CD GLU A 74 -11.890 12.307 -0.733 1.00 23.43 C ATOM 1111 OE1 GLU A 74 -11.256 13.083 0.011 1.00 52.15 O ATOM 1112 OE2 GLU A 74 -13.041 12.549 -1.151 1.00 25.52 O ATOM 0 H GLU A 74 -10.608 9.044 -2.522 1.00 72.54 H new ATOM 0 HA GLU A 74 -7.960 10.040 -1.816 1.00 33.04 H new ATOM 0 HB2 GLU A 74 -9.306 11.826 -0.699 1.00 72.32 H new ATOM 0 HB3 GLU A 74 -9.637 11.669 -2.412 1.00 72.32 H new ATOM 0 HG2 GLU A 74 -11.736 10.614 -2.030 1.00 65.44 H new ATOM 0 HG3 GLU A 74 -11.357 10.271 -0.354 1.00 65.44 H new ATOM 1117 N ILE A 75 -7.776 9.421 0.584 1.00 62.03 N ATOM 1118 CA ILE A 75 -7.589 8.899 1.933 1.00 35.44 C ATOM 1119 C ILE A 75 -7.270 10.020 2.915 1.00 13.32 C ATOM 1120 O ILE A 75 -6.237 10.682 2.807 1.00 23.33 O ATOM 1121 CB ILE A 75 -6.459 7.853 1.980 1.00 34.23 C ATOM 1122 CG1 ILE A 75 -5.253 8.336 1.172 1.00 53.11 C ATOM 1123 CG2 ILE A 75 -6.955 6.515 1.453 1.00 73.22 C ATOM 1124 CD1 ILE A 75 -4.097 7.361 1.173 1.00 71.43 C ATOM 0 H ILE A 75 -6.966 9.913 0.206 1.00 62.03 H new ATOM 0 HA ILE A 75 -8.526 8.422 2.221 1.00 35.44 H new ATOM 0 HB ILE A 75 -6.148 7.721 3.016 1.00 34.23 H new ATOM 0 HG12 ILE A 75 -5.564 8.518 0.143 1.00 53.11 H new ATOM 0 HG13 ILE A 75 -4.914 9.290 1.576 1.00 53.11 H new ATOM 0 HG21 ILE A 75 -6.146 5.786 1.492 1.00 73.22 H new ATOM 0 HG22 ILE A 75 -7.786 6.168 2.067 1.00 73.22 H new ATOM 0 HG23 ILE A 75 -7.289 6.631 0.422 1.00 73.22 H new ATOM 0 HD11 ILE A 75 -3.277 7.768 0.581 1.00 71.43 H new ATOM 0 HD12 ILE A 75 -3.760 7.198 2.197 1.00 71.43 H new ATOM 0 HD13 ILE A 75 -4.420 6.413 0.742 1.00 71.43 H new ATOM 1135 N LYS A 76 -8.163 10.228 3.878 1.00 21.41 N ATOM 1136 CA LYS A 76 -7.977 11.267 4.884 1.00 64.41 C ATOM 1137 C LYS A 76 -7.188 10.735 6.075 1.00 43.15 C ATOM 1138 O LYS A 76 -6.887 9.544 6.150 1.00 44.32 O ATOM 1139 CB LYS A 76 -9.333 11.799 5.353 1.00 75.30 C ATOM 1140 CG LYS A 76 -10.235 12.251 4.217 1.00 64.52 C ATOM 1141 CD LYS A 76 -9.632 13.420 3.457 1.00 32.43 C ATOM 1142 CE LYS A 76 -9.747 14.716 4.244 1.00 72.10 C ATOM 1143 NZ LYS A 76 -9.181 15.872 3.496 1.00 53.34 N ATOM 0 H LYS A 76 -9.023 9.690 3.982 1.00 21.41 H new ATOM 0 HA LYS A 76 -7.411 12.081 4.430 1.00 64.41 H new ATOM 0 HB2 LYS A 76 -9.842 11.021 5.922 1.00 75.30 H new ATOM 0 HB3 LYS A 76 -9.170 12.636 6.032 1.00 75.30 H new ATOM 0 HG2 LYS A 76 -10.404 11.420 3.533 1.00 64.52 H new ATOM 0 HG3 LYS A 76 -11.208 12.538 4.616 1.00 64.52 H new ATOM 0 HD2 LYS A 76 -8.583 13.214 3.244 1.00 32.43 H new ATOM 0 HD3 LYS A 76 -10.136 13.530 2.497 1.00 32.43 H new ATOM 0 HE2 LYS A 76 -10.795 14.910 4.473 1.00 72.10 H new ATOM 0 HE3 LYS A 76 -9.227 14.610 5.196 1.00 72.10 H new ATOM 0 HZ1 LYS A 76 -9.279 16.736 4.066 1.00 53.34 H new ATOM 0 HZ2 LYS A 76 -8.175 15.699 3.299 1.00 53.34 H new ATOM 0 HZ3 LYS A 76 -9.694 15.990 2.599 1.00 53.34 H new ATOM 1153 N ASP A 77 -6.857 11.625 7.004 1.00 45.52 N ATOM 1154 CA ASP A 77 -6.106 11.243 8.194 1.00 54.42 C ATOM 1155 C ASP A 77 -6.810 10.119 8.946 1.00 4.33 C ATOM 1156 O ASP A 77 -6.179 9.354 9.675 1.00 1.31 O ATOM 1157 CB ASP A 77 -5.920 12.451 9.116 1.00 24.02 C ATOM 1158 CG ASP A 77 -7.228 13.157 9.414 1.00 13.01 C ATOM 1159 OD1 ASP A 77 -7.662 13.980 8.580 1.00 62.13 O ATOM 1160 OD2 ASP A 77 -7.818 12.888 10.482 1.00 35.45 O ATOM 0 H ASP A 77 -7.097 12.615 6.956 1.00 45.52 H new ATOM 0 HA ASP A 77 -5.128 10.884 7.874 1.00 54.42 H new ATOM 0 HB2 ASP A 77 -5.465 12.124 10.051 1.00 24.02 H new ATOM 0 HB3 ASP A 77 -5.228 13.154 8.654 1.00 24.02 H new ATOM 1164 N ASP A 78 -8.124 10.025 8.764 1.00 42.14 N ATOM 1165 CA ASP A 78 -8.915 8.993 9.425 1.00 72.12 C ATOM 1166 C ASP A 78 -8.775 7.656 8.705 1.00 62.22 C ATOM 1167 O ASP A 78 -8.860 6.595 9.323 1.00 23.13 O ATOM 1168 CB ASP A 78 -10.387 9.406 9.478 1.00 72.21 C ATOM 1169 CG ASP A 78 -11.224 8.458 10.314 1.00 15.25 C ATOM 1170 OD1 ASP A 78 -10.813 8.150 11.452 1.00 14.10 O ATOM 1171 OD2 ASP A 78 -12.292 8.026 9.831 1.00 74.44 O ATOM 0 H ASP A 78 -8.663 10.650 8.165 1.00 42.14 H new ATOM 0 HA ASP A 78 -8.540 8.878 10.442 1.00 72.12 H new ATOM 0 HB2 ASP A 78 -10.464 10.413 9.888 1.00 72.21 H new ATOM 0 HB3 ASP A 78 -10.788 9.443 8.465 1.00 72.21 H new ATOM 1175 N ASP A 79 -8.559 7.715 7.395 1.00 61.43 N ATOM 1176 CA ASP A 79 -8.406 6.508 6.591 1.00 65.11 C ATOM 1177 C ASP A 79 -7.208 5.690 7.060 1.00 70.32 C ATOM 1178 O ASP A 79 -6.235 6.236 7.582 1.00 65.33 O ATOM 1179 CB ASP A 79 -8.245 6.871 5.114 1.00 61.21 C ATOM 1180 CG ASP A 79 -9.538 7.362 4.493 1.00 31.31 C ATOM 1181 OD1 ASP A 79 -10.219 8.198 5.124 1.00 33.22 O ATOM 1182 OD2 ASP A 79 -9.869 6.910 3.377 1.00 70.32 O ATOM 0 H ASP A 79 -8.486 8.585 6.868 1.00 61.43 H new ATOM 0 HA ASP A 79 -9.305 5.904 6.713 1.00 65.11 H new ATOM 0 HB2 ASP A 79 -7.482 7.643 5.014 1.00 61.21 H new ATOM 0 HB3 ASP A 79 -7.890 5.999 4.565 1.00 61.21 H new ATOM 1186 N LYS A 80 -7.284 4.377 6.872 1.00 44.23 N ATOM 1187 CA LYS A 80 -6.206 3.481 7.276 1.00 53.15 C ATOM 1188 C LYS A 80 -6.111 2.285 6.334 1.00 41.53 C ATOM 1189 O LYS A 80 -7.127 1.717 5.934 1.00 32.55 O ATOM 1190 CB LYS A 80 -6.426 2.998 8.711 1.00 13.45 C ATOM 1191 CG LYS A 80 -7.752 2.283 8.916 1.00 34.40 C ATOM 1192 CD LYS A 80 -7.586 0.774 8.854 1.00 10.24 C ATOM 1193 CE LYS A 80 -7.161 0.205 10.198 1.00 52.10 C ATOM 1194 NZ LYS A 80 -8.208 0.399 11.240 1.00 11.14 N ATOM 0 H LYS A 80 -8.082 3.909 6.442 1.00 44.23 H new ATOM 0 HA LYS A 80 -5.269 4.036 7.226 1.00 53.15 H new ATOM 0 HB2 LYS A 80 -5.614 2.326 8.988 1.00 13.45 H new ATOM 0 HB3 LYS A 80 -6.376 3.853 9.385 1.00 13.45 H new ATOM 0 HG2 LYS A 80 -8.173 2.564 9.881 1.00 34.40 H new ATOM 0 HG3 LYS A 80 -8.461 2.604 8.153 1.00 34.40 H new ATOM 0 HD2 LYS A 80 -8.525 0.316 8.544 1.00 10.24 H new ATOM 0 HD3 LYS A 80 -6.843 0.519 8.098 1.00 10.24 H new ATOM 0 HE2 LYS A 80 -6.948 -0.859 10.091 1.00 52.10 H new ATOM 0 HE3 LYS A 80 -6.236 0.684 10.519 1.00 52.10 H new ATOM 0 HZ1 LYS A 80 -8.101 -0.326 11.978 1.00 11.14 H new ATOM 0 HZ2 LYS A 80 -8.105 1.343 11.664 1.00 11.14 H new ATOM 0 HZ3 LYS A 80 -9.149 0.315 10.806 1.00 11.14 H new ATOM 1204 N ILE A 81 -4.886 1.907 5.987 1.00 54.02 N ATOM 1205 CA ILE A 81 -4.659 0.777 5.096 1.00 20.11 C ATOM 1206 C ILE A 81 -4.192 -0.450 5.871 1.00 4.35 C ATOM 1207 O ILE A 81 -3.391 -0.343 6.800 1.00 20.02 O ATOM 1208 CB ILE A 81 -3.616 1.113 4.013 1.00 53.01 C ATOM 1209 CG1 ILE A 81 -4.082 2.309 3.180 1.00 54.24 C ATOM 1210 CG2 ILE A 81 -3.369 -0.095 3.123 1.00 64.44 C ATOM 1211 CD1 ILE A 81 -3.637 3.643 3.738 1.00 70.34 C ATOM 0 H ILE A 81 -4.035 2.367 6.310 1.00 54.02 H new ATOM 0 HA ILE A 81 -5.613 0.559 4.615 1.00 20.11 H new ATOM 0 HB ILE A 81 -2.678 1.377 4.502 1.00 53.01 H new ATOM 0 HG12 ILE A 81 -3.702 2.204 2.164 1.00 54.24 H new ATOM 0 HG13 ILE A 81 -5.170 2.295 3.116 1.00 54.24 H new ATOM 0 HG21 ILE A 81 -2.630 0.158 2.363 1.00 64.44 H new ATOM 0 HG22 ILE A 81 -2.999 -0.923 3.728 1.00 64.44 H new ATOM 0 HG23 ILE A 81 -4.301 -0.387 2.640 1.00 64.44 H new ATOM 0 HD11 ILE A 81 -4.003 4.446 3.097 1.00 70.34 H new ATOM 0 HD12 ILE A 81 -4.039 3.769 4.743 1.00 70.34 H new ATOM 0 HD13 ILE A 81 -2.548 3.677 3.776 1.00 70.34 H new ATOM 1222 N ASP A 82 -4.697 -1.617 5.483 1.00 33.20 N ATOM 1223 CA ASP A 82 -4.330 -2.865 6.139 1.00 44.21 C ATOM 1224 C ASP A 82 -3.925 -3.920 5.114 1.00 52.40 C ATOM 1225 O ASP A 82 -4.464 -3.964 4.007 1.00 64.13 O ATOM 1226 CB ASP A 82 -5.493 -3.382 6.988 1.00 52.11 C ATOM 1227 CG ASP A 82 -5.030 -3.999 8.293 1.00 74.32 C ATOM 1228 OD1 ASP A 82 -3.839 -4.367 8.384 1.00 33.23 O ATOM 1229 OD2 ASP A 82 -5.856 -4.114 9.222 1.00 11.02 O ATOM 0 H ASP A 82 -5.362 -1.723 4.717 1.00 33.20 H new ATOM 0 HA ASP A 82 -3.476 -2.667 6.787 1.00 44.21 H new ATOM 0 HB2 ASP A 82 -6.177 -2.560 7.201 1.00 52.11 H new ATOM 0 HB3 ASP A 82 -6.053 -4.123 6.418 1.00 52.11 H new ATOM 1233 N LEU A 83 -2.973 -4.767 5.489 1.00 74.21 N ATOM 1234 CA LEU A 83 -2.495 -5.821 4.601 1.00 64.02 C ATOM 1235 C LEU A 83 -2.677 -7.195 5.239 1.00 14.13 C ATOM 1236 O LEU A 83 -2.084 -7.493 6.275 1.00 2.30 O ATOM 1237 CB LEU A 83 -1.020 -5.597 4.260 1.00 24.02 C ATOM 1238 CG LEU A 83 -0.465 -6.432 3.105 1.00 62.35 C ATOM 1239 CD1 LEU A 83 -0.278 -7.880 3.534 1.00 74.41 C ATOM 1240 CD2 LEU A 83 -1.383 -6.347 1.894 1.00 42.43 C ATOM 0 H LEU A 83 -2.517 -4.745 6.401 1.00 74.21 H new ATOM 0 HA LEU A 83 -3.084 -5.785 3.685 1.00 64.02 H new ATOM 0 HB2 LEU A 83 -0.879 -4.543 4.021 1.00 24.02 H new ATOM 0 HB3 LEU A 83 -0.426 -5.804 5.150 1.00 24.02 H new ATOM 0 HG LEU A 83 0.508 -6.028 2.826 1.00 62.35 H new ATOM 0 HD11 LEU A 83 0.118 -8.459 2.699 1.00 74.41 H new ATOM 0 HD12 LEU A 83 0.420 -7.925 4.370 1.00 74.41 H new ATOM 0 HD13 LEU A 83 -1.238 -8.295 3.841 1.00 74.41 H new ATOM 0 HD21 LEU A 83 -0.971 -6.947 1.083 1.00 42.43 H new ATOM 0 HD22 LEU A 83 -2.371 -6.724 2.159 1.00 42.43 H new ATOM 0 HD23 LEU A 83 -1.465 -5.309 1.572 1.00 42.43 H new ATOM 1251 N PHE A 84 -3.501 -8.028 4.611 1.00 74.21 N ATOM 1252 CA PHE A 84 -3.761 -9.371 5.117 1.00 32.35 C ATOM 1253 C PHE A 84 -3.138 -10.425 4.206 1.00 3.24 C ATOM 1254 O PHE A 84 -3.176 -10.321 2.979 1.00 45.03 O ATOM 1255 CB PHE A 84 -5.268 -9.610 5.237 1.00 21.24 C ATOM 1256 CG PHE A 84 -5.947 -8.680 6.201 1.00 11.23 C ATOM 1257 CD1 PHE A 84 -5.936 -8.943 7.562 1.00 72.03 C ATOM 1258 CD2 PHE A 84 -6.598 -7.544 5.748 1.00 20.23 C ATOM 1259 CE1 PHE A 84 -6.560 -8.089 8.453 1.00 24.34 C ATOM 1260 CE2 PHE A 84 -7.224 -6.687 6.633 1.00 50.41 C ATOM 1261 CZ PHE A 84 -7.205 -6.960 7.987 1.00 1.21 C ATOM 0 H PHE A 84 -4.000 -7.797 3.752 1.00 74.21 H new ATOM 0 HA PHE A 84 -3.307 -9.455 6.104 1.00 32.35 H new ATOM 0 HB2 PHE A 84 -5.725 -9.498 4.254 1.00 21.24 H new ATOM 0 HB3 PHE A 84 -5.441 -10.639 5.554 1.00 21.24 H new ATOM 0 HD1 PHE A 84 -5.434 -9.825 7.931 1.00 72.03 H new ATOM 0 HD2 PHE A 84 -6.616 -7.326 4.690 1.00 20.23 H new ATOM 0 HE1 PHE A 84 -6.543 -8.304 9.511 1.00 24.34 H new ATOM 0 HE2 PHE A 84 -7.728 -5.805 6.266 1.00 50.41 H new ATOM 0 HZ PHE A 84 -7.694 -6.292 8.680 1.00 1.21 H new ATOM 1270 N PRO A 85 -2.552 -11.464 4.819 1.00 31.43 N ATOM 1271 CA PRO A 85 -1.910 -12.557 4.084 1.00 13.15 C ATOM 1272 C PRO A 85 -2.919 -13.433 3.350 1.00 3.32 C ATOM 1273 O PRO A 85 -4.115 -13.424 3.643 1.00 31.10 O ATOM 1274 CB PRO A 85 -1.205 -13.357 5.182 1.00 44.21 C ATOM 1275 CG PRO A 85 -1.980 -13.065 6.420 1.00 3.11 C ATOM 1276 CD PRO A 85 -2.471 -11.651 6.277 1.00 11.35 C ATOM 0 HA PRO A 85 -1.238 -12.188 3.309 1.00 13.15 H new ATOM 0 HB2 PRO A 85 -1.205 -14.424 4.957 1.00 44.21 H new ATOM 0 HB3 PRO A 85 -0.163 -13.054 5.286 1.00 44.21 H new ATOM 0 HG2 PRO A 85 -2.814 -13.758 6.531 1.00 3.11 H new ATOM 0 HG3 PRO A 85 -1.355 -13.173 7.306 1.00 3.11 H new ATOM 0 HD2 PRO A 85 -3.441 -11.512 6.754 1.00 11.35 H new ATOM 0 HD3 PRO A 85 -1.785 -10.939 6.736 1.00 11.35 H new ATOM 1281 N PRO A 86 -2.429 -14.212 2.374 1.00 22.34 N ATOM 1282 CA PRO A 86 -3.272 -15.109 1.579 1.00 25.20 C ATOM 1283 C PRO A 86 -3.791 -16.290 2.393 1.00 72.13 C ATOM 1284 O PRO A 86 -3.145 -16.734 3.342 1.00 52.51 O ATOM 1285 CB PRO A 86 -2.330 -15.595 0.473 1.00 1.45 C ATOM 1286 CG PRO A 86 -0.965 -15.468 1.057 1.00 31.13 C ATOM 1287 CD PRO A 86 -1.015 -14.275 1.970 1.00 71.03 C ATOM 0 HA PRO A 86 -4.164 -14.606 1.207 1.00 25.20 H new ATOM 0 HB2 PRO A 86 -2.547 -16.626 0.193 1.00 1.45 H new ATOM 0 HB3 PRO A 86 -2.433 -14.991 -0.429 1.00 1.45 H new ATOM 0 HG2 PRO A 86 -0.690 -16.369 1.606 1.00 31.13 H new ATOM 0 HG3 PRO A 86 -0.217 -15.331 0.276 1.00 31.13 H new ATOM 0 HD2 PRO A 86 -0.357 -14.400 2.830 1.00 71.03 H new ATOM 0 HD3 PRO A 86 -0.702 -13.365 1.459 1.00 71.03 H new ATOM 1292 N VAL A 87 -4.961 -16.796 2.015 1.00 73.34 N ATOM 1293 CA VAL A 87 -5.564 -17.927 2.710 1.00 23.45 C ATOM 1294 C VAL A 87 -4.613 -19.118 2.751 1.00 10.50 C ATOM 1295 O VAL A 87 -4.610 -19.888 3.711 1.00 62.35 O ATOM 1296 CB VAL A 87 -6.881 -18.359 2.038 1.00 13.50 C ATOM 1297 CG1 VAL A 87 -7.964 -17.316 2.267 1.00 34.54 C ATOM 1298 CG2 VAL A 87 -6.667 -18.601 0.552 1.00 30.44 C ATOM 0 H VAL A 87 -5.510 -16.441 1.232 1.00 73.34 H new ATOM 0 HA VAL A 87 -5.773 -17.599 3.728 1.00 23.45 H new ATOM 0 HB VAL A 87 -7.210 -19.295 2.490 1.00 13.50 H new ATOM 0 HG11 VAL A 87 -8.887 -17.638 1.785 1.00 34.54 H new ATOM 0 HG12 VAL A 87 -8.135 -17.198 3.337 1.00 34.54 H new ATOM 0 HG13 VAL A 87 -7.647 -16.363 1.843 1.00 34.54 H new ATOM 0 HG21 VAL A 87 -7.608 -18.905 0.094 1.00 30.44 H new ATOM 0 HG22 VAL A 87 -6.314 -17.684 0.081 1.00 30.44 H new ATOM 0 HG23 VAL A 87 -5.925 -19.388 0.415 1.00 30.44 H new ATOM 1308 N ALA A 88 -3.807 -19.261 1.704 1.00 42.22 N ATOM 1309 CA ALA A 88 -2.849 -20.357 1.623 1.00 22.45 C ATOM 1310 C ALA A 88 -1.618 -20.075 2.478 1.00 24.53 C ATOM 1311 O ALA A 88 -0.949 -20.997 2.942 1.00 32.41 O ATOM 1312 CB ALA A 88 -2.445 -20.598 0.176 1.00 4.55 C ATOM 0 H ALA A 88 -3.798 -18.632 0.901 1.00 42.22 H new ATOM 0 HA ALA A 88 -3.329 -21.256 2.010 1.00 22.45 H new ATOM 0 HB1 ALA A 88 -1.729 -21.419 0.130 1.00 4.55 H new ATOM 0 HB2 ALA A 88 -3.328 -20.853 -0.411 1.00 4.55 H new ATOM 0 HB3 ALA A 88 -1.988 -19.695 -0.229 1.00 4.55 H new ATOM 1318 N GLY A 89 -1.326 -18.795 2.682 1.00 32.42 N ATOM 1319 CA GLY A 89 -0.174 -18.415 3.479 1.00 31.05 C ATOM 1320 C GLY A 89 -0.369 -18.707 4.954 1.00 0.22 C ATOM 1321 O GLY A 89 -1.223 -19.511 5.326 1.00 50.54 O ATOM 0 H GLY A 89 -1.866 -18.014 2.310 1.00 32.42 H new ATOM 0 HA2 GLY A 89 0.705 -18.949 3.119 1.00 31.05 H new ATOM 0 HA3 GLY A 89 0.022 -17.351 3.345 1.00 31.05 H new ATOM 1325 N GLY A 90 0.425 -18.052 5.796 1.00 22.03 N ATOM 1326 CA GLY A 90 0.320 -18.261 7.228 1.00 70.44 C ATOM 1327 C GLY A 90 1.526 -18.983 7.797 1.00 2.23 C ATOM 1328 O GLY A 90 1.540 -20.211 7.881 1.00 2.04 O ATOM 0 H GLY A 90 1.139 -17.381 5.512 1.00 22.03 H new ATOM 0 HA2 GLY A 90 0.208 -17.298 7.726 1.00 70.44 H new ATOM 0 HA3 GLY A 90 -0.580 -18.837 7.443 1.00 70.44 H new TER 1332 GLY A 90