USER MOD reduce.3.24.130724 H: found=0, std=0, add=1168, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1162 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 125 HIS : no HD1:sc= -0.407 X(o=-0.59,f=-0.32) USER MOD Set 1.2: A 127 GLN : amide:sc= -0.187 X(o=-0.59,f=-0.54) USER MOD Set 2.1: A 120 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 122 GLN : amide:sc= 0.73 X(o=0.73,f=0.45) USER MOD Set 3.1: A 110 TYR OH : rot 180:sc= 0.138 USER MOD Set 3.2: A 115 TYR OH : rot 56:sc= 0.945 USER MOD Set 4.1: A 103 THR OG1 : rot -170:sc= -0.121 USER MOD Set 4.2: A 108 ASN : amide:sc= 0.182 X(o=0.061,f=0.061) USER MOD Set 5.1: A 58 TYR OH : rot 180:sc= 0.685 USER MOD Set 5.2: A 141 ASN : amide:sc= 1.79 K(o=2.5,f=1.3) USER MOD Set 6.1: A 35 HIS : no HE2:sc= -1.19 K(o=-0.72,f=-4.2!) USER MOD Set 6.2: A 92 GLN : amide:sc= 0.47 K(o=-0.72,f=-7!) USER MOD Set 7.1: A 30 LYS NZ :NH3+ -138:sc= 0.592 (180deg=0) USER MOD Set 7.2: A 32 THR OG1 : rot 180:sc= 0.624 USER MOD Set 7.3: A 63 ASN : amide:sc= 1.14 K(o=2.4,f=-0.72) USER MOD Set 8.1: A 22 THR OG1 : rot 180:sc= 0.748 USER MOD Set 8.2: A 25 GLN : amide:sc= 0.857 K(o=1.6,f=0.19) USER MOD Set 9.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 9.2: A 5 GLN : amide:sc= 0.415 X(o=0.42,f=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 MET CE :methyl 155:sc= -0.0443 (180deg=-1.12) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 152:sc= 1.22 (180deg=0.643) USER MOD Single : A 18 ASN : amide:sc=-0.00966 K(o=-0.0097,f=-0.68) USER MOD Single : A 38 SER OG : rot -65:sc= 0.405 USER MOD Single : A 40 SER OG : rot 129:sc= 1.05 USER MOD Single : A 41 CYS SG : rot 180:sc= 0.0139 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 CYS SG : rot 153:sc= -1.24 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 153:sc= -0.228 (180deg=-1.54) USER MOD Single : A 50 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.27) USER MOD Single : A 52 ASN : amide:sc= 0.664 K(o=0.66,f=-1.7) USER MOD Single : A 57 LYS NZ :NH3+ -109:sc= 1.16 (180deg=0.464) USER MOD Single : A 59 GLN : amide:sc= 0.187 K(o=0.19,f=-0.35) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 HIS : no HE2:sc= -0.55 K(o=-0.55,f=-8.9!) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 89:sc= 0.16 USER MOD Single : A 88 HIS : no HD1:sc= -0.711 X(o=-0.71,f=-0.66) USER MOD Single : A 91 THR OG1 : rot 170:sc= 0.904 USER MOD Single : A 98 SER OG : rot 180:sc= 0.104 USER MOD Single : A 100 HIS : no HE2:sc= -0.109 K(o=-0.11,f=-2.7!) USER MOD Single : A 114 TYR OH : rot -107:sc= 0.536 USER MOD Single : A 119 LYS NZ :NH3+ 143:sc= 0.865 (180deg=0.161) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 133 MET CE :methyl -163:sc= -0.365 (180deg=-0.952) USER MOD Single : A 134 LYS NZ :NH3+ -166:sc= 0.767 (180deg=0.325) USER MOD Single : A 135 MET CE :methyl -174:sc= -0.0141 (180deg=-0.0789) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 THR OG1 : rot 83:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.868 -2.186 -1.208 1.00 0.00 N ATOM 2 CA MET A 1 3.628 -1.533 -2.310 1.00 0.00 C ATOM 3 C MET A 1 4.806 -2.406 -2.756 1.00 0.00 C ATOM 4 O MET A 1 5.548 -2.926 -1.919 1.00 0.00 O ATOM 5 CB MET A 1 4.194 -0.149 -1.916 1.00 0.00 C ATOM 6 CG MET A 1 3.152 0.971 -1.883 1.00 0.00 C ATOM 7 SD MET A 1 3.902 2.617 -1.808 1.00 0.00 S ATOM 8 CE MET A 1 4.278 2.941 -3.555 1.00 0.00 C ATOM 0 H1 MET A 1 2.076 -1.575 -0.924 1.00 0.00 H new ATOM 0 H2 MET A 1 2.499 -3.102 -1.536 1.00 0.00 H new ATOM 0 H3 MET A 1 3.498 -2.337 -0.394 1.00 0.00 H new ATOM 0 HA MET A 1 2.910 -1.403 -3.119 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.659 -0.226 -0.933 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.980 0.123 -2.620 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.522 0.903 -2.770 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.502 0.832 -1.019 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.743 3.922 -3.651 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.961 2.177 -3.928 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.356 2.918 -4.136 1.00 0.00 H new ATOM 20 N LYS A 2 5.034 -2.514 -4.074 1.00 0.00 N ATOM 21 CA LYS A 2 6.320 -2.991 -4.592 1.00 0.00 C ATOM 22 C LYS A 2 7.342 -1.867 -4.474 1.00 0.00 C ATOM 23 O LYS A 2 6.975 -0.693 -4.598 1.00 0.00 O ATOM 24 CB LYS A 2 6.212 -3.428 -6.063 1.00 0.00 C ATOM 25 CG LYS A 2 5.030 -4.373 -6.330 1.00 0.00 C ATOM 26 CD LYS A 2 5.413 -5.525 -7.262 1.00 0.00 C ATOM 27 CE LYS A 2 4.158 -6.346 -7.584 1.00 0.00 C ATOM 28 NZ LYS A 2 4.467 -7.547 -8.397 1.00 0.00 N ATOM 0 H LYS A 2 4.350 -2.279 -4.793 1.00 0.00 H new ATOM 0 HA LYS A 2 6.628 -3.858 -4.007 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.110 -2.543 -6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.138 -3.923 -6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 2 4.669 -4.777 -5.384 1.00 0.00 H new ATOM 0 HG3 LYS A 2 4.208 -3.809 -6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.854 -5.136 -8.180 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.165 -6.157 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.678 -6.652 -6.655 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.444 -5.720 -8.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 3.589 -8.071 -8.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.901 -7.255 -9.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.127 -8.158 -7.876 1.00 0.00 H new ATOM 42 N LEU A 3 8.614 -2.224 -4.304 1.00 0.00 N ATOM 43 CA LEU A 3 9.727 -1.294 -4.480 1.00 0.00 C ATOM 44 C LEU A 3 9.820 -0.897 -5.965 1.00 0.00 C ATOM 45 O LEU A 3 9.169 -1.488 -6.829 1.00 0.00 O ATOM 46 CB LEU A 3 11.045 -1.924 -3.969 1.00 0.00 C ATOM 47 CG LEU A 3 11.032 -2.379 -2.491 1.00 0.00 C ATOM 48 CD1 LEU A 3 12.398 -2.956 -2.102 1.00 0.00 C ATOM 49 CD2 LEU A 3 10.668 -1.247 -1.522 1.00 0.00 C ATOM 0 H LEU A 3 8.902 -3.166 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 3 9.555 -0.393 -3.891 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.283 -2.784 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 3 11.849 -1.201 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 3 10.260 -3.144 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.376 -3.273 -1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 3 12.625 -3.813 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 3 13.166 -2.194 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.675 -1.626 -0.500 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.396 -0.441 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.674 -0.868 -1.762 1.00 0.00 H new ATOM 61 N ARG A 4 10.651 0.105 -6.259 1.00 0.00 N ATOM 62 CA ARG A 4 10.953 0.676 -7.579 1.00 0.00 C ATOM 63 C ARG A 4 9.773 1.366 -8.280 1.00 0.00 C ATOM 64 O ARG A 4 9.965 1.891 -9.379 1.00 0.00 O ATOM 65 CB ARG A 4 11.651 -0.358 -8.489 1.00 0.00 C ATOM 66 CG ARG A 4 12.956 -0.910 -7.887 1.00 0.00 C ATOM 67 CD ARG A 4 13.600 -1.979 -8.780 1.00 0.00 C ATOM 68 NE ARG A 4 13.979 -1.456 -10.108 1.00 0.00 N ATOM 69 CZ ARG A 4 14.503 -2.177 -11.110 1.00 0.00 C ATOM 70 NH1 ARG A 4 14.793 -3.467 -10.940 1.00 0.00 N ATOM 71 NH2 ARG A 4 14.734 -1.600 -12.287 1.00 0.00 N ATOM 0 H ARG A 4 11.174 0.578 -5.522 1.00 0.00 H new ATOM 0 HA ARG A 4 11.650 1.490 -7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 4 10.967 -1.185 -8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 4 11.869 0.103 -9.452 1.00 0.00 H new ATOM 0 HG2 ARG A 4 13.660 -0.091 -7.738 1.00 0.00 H new ATOM 0 HG3 ARG A 4 12.750 -1.336 -6.905 1.00 0.00 H new ATOM 0 HD2 ARG A 4 14.485 -2.376 -8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.905 -2.809 -8.905 1.00 0.00 H new ATOM 0 HE ARG A 4 13.829 -0.461 -10.278 1.00 0.00 H new ATOM 0 HH11 ARG A 4 14.617 -3.915 -10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 4 15.191 -4.006 -11.709 1.00 0.00 H new ATOM 0 HH21 ARG A 4 14.513 -0.614 -12.424 1.00 0.00 H new ATOM 0 HH22 ARG A 4 15.132 -2.144 -13.052 1.00 0.00 H new ATOM 85 N GLN A 5 8.583 1.428 -7.677 1.00 0.00 N ATOM 86 CA GLN A 5 7.483 2.226 -8.222 1.00 0.00 C ATOM 87 C GLN A 5 7.821 3.718 -8.092 1.00 0.00 C ATOM 88 O GLN A 5 8.447 4.097 -7.096 1.00 0.00 O ATOM 89 CB GLN A 5 6.179 1.933 -7.470 1.00 0.00 C ATOM 90 CG GLN A 5 5.664 0.508 -7.713 1.00 0.00 C ATOM 91 CD GLN A 5 4.324 0.309 -7.010 1.00 0.00 C ATOM 92 OE1 GLN A 5 3.264 0.303 -7.633 1.00 0.00 O ATOM 93 NE2 GLN A 5 4.336 0.184 -5.690 1.00 0.00 N ATOM 0 H GLN A 5 8.357 0.936 -6.813 1.00 0.00 H new ATOM 0 HA GLN A 5 7.349 1.965 -9.272 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.339 2.080 -6.402 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.417 2.648 -7.780 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.552 0.330 -8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 5 6.389 -0.217 -7.343 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.222 0.191 -5.185 1.00 0.00 H new ATOM 0 HE22 GLN A 5 3.459 0.081 -5.179 1.00 0.00 H new ATOM 102 N PRO A 6 7.394 4.575 -9.038 1.00 0.00 N ATOM 103 CA PRO A 6 7.516 6.020 -8.903 1.00 0.00 C ATOM 104 C PRO A 6 6.543 6.542 -7.835 1.00 0.00 C ATOM 105 O PRO A 6 5.441 6.007 -7.669 1.00 0.00 O ATOM 106 CB PRO A 6 7.192 6.588 -10.287 1.00 0.00 C ATOM 107 CG PRO A 6 6.241 5.554 -10.887 1.00 0.00 C ATOM 108 CD PRO A 6 6.734 4.235 -10.292 1.00 0.00 C ATOM 0 HA PRO A 6 8.512 6.322 -8.579 1.00 0.00 H new ATOM 0 HB2 PRO A 6 6.724 7.570 -10.218 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.091 6.705 -10.893 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.205 5.755 -10.615 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.290 5.547 -11.976 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.903 3.551 -10.121 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.424 3.735 -10.972 1.00 0.00 H new ATOM 116 N MET A 7 6.927 7.617 -7.142 1.00 0.00 N ATOM 117 CA MET A 7 6.043 8.356 -6.238 1.00 0.00 C ATOM 118 C MET A 7 4.789 8.861 -6.996 1.00 0.00 C ATOM 119 O MET A 7 4.943 9.534 -8.018 1.00 0.00 O ATOM 120 CB MET A 7 6.800 9.486 -5.515 1.00 0.00 C ATOM 121 CG MET A 7 7.734 10.336 -6.390 1.00 0.00 C ATOM 122 SD MET A 7 8.572 11.698 -5.526 1.00 0.00 S ATOM 123 CE MET A 7 9.527 10.793 -4.276 1.00 0.00 C ATOM 0 H MET A 7 7.870 8.002 -7.193 1.00 0.00 H new ATOM 0 HA MET A 7 5.693 7.678 -5.459 1.00 0.00 H new ATOM 0 HB2 MET A 7 6.069 10.147 -5.050 1.00 0.00 H new ATOM 0 HB3 MET A 7 7.389 9.046 -4.710 1.00 0.00 H new ATOM 0 HG2 MET A 7 8.490 9.684 -6.827 1.00 0.00 H new ATOM 0 HG3 MET A 7 7.155 10.751 -7.215 1.00 0.00 H new ATOM 0 HE1 MET A 7 10.392 11.386 -3.979 1.00 0.00 H new ATOM 0 HE2 MET A 7 8.900 10.604 -3.405 1.00 0.00 H new ATOM 0 HE3 MET A 7 9.864 9.844 -4.693 1.00 0.00 H new ATOM 133 N PRO A 8 3.558 8.531 -6.548 1.00 0.00 N ATOM 134 CA PRO A 8 2.321 8.755 -7.288 1.00 0.00 C ATOM 135 C PRO A 8 1.677 10.109 -6.925 1.00 0.00 C ATOM 136 O PRO A 8 2.125 11.146 -7.415 1.00 0.00 O ATOM 137 CB PRO A 8 1.463 7.524 -6.959 1.00 0.00 C ATOM 138 CG PRO A 8 1.821 7.237 -5.502 1.00 0.00 C ATOM 139 CD PRO A 8 3.294 7.635 -5.437 1.00 0.00 C ATOM 0 HA PRO A 8 2.465 8.842 -8.365 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.399 7.729 -7.081 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.701 6.681 -7.607 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.212 7.822 -4.812 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.673 6.188 -5.247 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.516 8.125 -4.489 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.932 6.753 -5.497 1.00 0.00 H new ATOM 147 N GLU A 9 0.627 10.117 -6.096 1.00 0.00 N ATOM 148 CA GLU A 9 -0.314 11.221 -5.920 1.00 0.00 C ATOM 149 C GLU A 9 0.100 12.051 -4.699 1.00 0.00 C ATOM 150 O GLU A 9 -0.620 12.101 -3.701 1.00 0.00 O ATOM 151 CB GLU A 9 -1.750 10.662 -5.771 1.00 0.00 C ATOM 152 CG GLU A 9 -2.261 9.764 -6.910 1.00 0.00 C ATOM 153 CD GLU A 9 -2.539 10.526 -8.221 1.00 0.00 C ATOM 154 OE1 GLU A 9 -1.583 11.007 -8.876 1.00 0.00 O ATOM 155 OE2 GLU A 9 -3.724 10.618 -8.629 1.00 0.00 O ATOM 0 H GLU A 9 0.403 9.317 -5.505 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.299 11.872 -6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.800 10.095 -4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.434 11.504 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.526 8.983 -7.103 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.176 9.268 -6.587 1.00 0.00 H new ATOM 162 N LEU A 10 1.302 12.638 -4.725 1.00 0.00 N ATOM 163 CA LEU A 10 1.821 13.439 -3.612 1.00 0.00 C ATOM 164 C LEU A 10 1.078 14.782 -3.544 1.00 0.00 C ATOM 165 O LEU A 10 1.555 15.792 -4.070 1.00 0.00 O ATOM 166 CB LEU A 10 3.349 13.635 -3.695 1.00 0.00 C ATOM 167 CG LEU A 10 4.213 12.359 -3.754 1.00 0.00 C ATOM 168 CD1 LEU A 10 5.662 12.737 -3.417 1.00 0.00 C ATOM 169 CD2 LEU A 10 3.745 11.234 -2.821 1.00 0.00 C ATOM 0 H LEU A 10 1.941 12.571 -5.517 1.00 0.00 H new ATOM 0 HA LEU A 10 1.637 12.892 -2.687 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.567 14.234 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.664 14.218 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 10 4.121 11.961 -4.765 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.288 11.846 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.026 13.466 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.702 13.168 -2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.408 10.375 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.766 11.585 -1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.728 10.942 -3.084 1.00 0.00 H new ATOM 181 N THR A 11 -0.113 14.786 -2.946 1.00 0.00 N ATOM 182 CA THR A 11 -0.979 15.950 -2.820 1.00 0.00 C ATOM 183 C THR A 11 -1.879 15.788 -1.581 1.00 0.00 C ATOM 184 O THR A 11 -2.054 14.679 -1.061 1.00 0.00 O ATOM 185 CB THR A 11 -1.764 16.128 -4.143 1.00 0.00 C ATOM 186 OG1 THR A 11 -2.393 17.398 -4.186 1.00 0.00 O ATOM 187 CG2 THR A 11 -2.811 15.033 -4.403 1.00 0.00 C ATOM 0 H THR A 11 -0.512 13.948 -2.522 1.00 0.00 H new ATOM 0 HA THR A 11 -0.405 16.863 -2.662 1.00 0.00 H new ATOM 0 HB THR A 11 -1.018 16.045 -4.934 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.882 17.492 -5.030 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.317 15.230 -5.348 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.318 14.062 -4.451 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.542 15.029 -3.594 1.00 0.00 H new ATOM 195 N GLY A 12 -2.471 16.893 -1.122 1.00 0.00 N ATOM 196 CA GLY A 12 -3.418 16.951 -0.018 1.00 0.00 C ATOM 197 C GLY A 12 -4.194 18.267 -0.074 1.00 0.00 C ATOM 198 O GLY A 12 -3.943 19.097 -0.955 1.00 0.00 O ATOM 0 H GLY A 12 -2.292 17.810 -1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -4.107 16.108 -0.073 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.890 16.869 0.932 1.00 0.00 H new ATOM 202 N GLU A 13 -5.163 18.448 0.829 1.00 0.00 N ATOM 203 CA GLU A 13 -6.157 19.522 0.707 1.00 0.00 C ATOM 204 C GLU A 13 -6.837 19.898 2.032 1.00 0.00 C ATOM 205 O GLU A 13 -7.250 21.050 2.185 1.00 0.00 O ATOM 206 CB GLU A 13 -7.244 19.107 -0.314 1.00 0.00 C ATOM 207 CG GLU A 13 -7.268 20.042 -1.531 1.00 0.00 C ATOM 208 CD GLU A 13 -8.426 19.703 -2.487 1.00 0.00 C ATOM 209 OE1 GLU A 13 -8.318 18.723 -3.265 1.00 0.00 O ATOM 210 OE2 GLU A 13 -9.450 20.431 -2.488 1.00 0.00 O ATOM 0 H GLU A 13 -5.281 17.863 1.656 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.610 20.404 0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.061 18.085 -0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.220 19.116 0.171 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.364 21.074 -1.195 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.321 19.968 -2.066 1.00 0.00 H new ATOM 217 N LYS A 14 -6.975 18.964 2.985 1.00 0.00 N ATOM 218 CA LYS A 14 -7.672 19.230 4.248 1.00 0.00 C ATOM 219 C LYS A 14 -6.932 20.309 5.038 1.00 0.00 C ATOM 220 O LYS A 14 -7.560 21.225 5.575 1.00 0.00 O ATOM 221 CB LYS A 14 -7.838 17.921 5.040 1.00 0.00 C ATOM 222 CG LYS A 14 -8.445 18.148 6.435 1.00 0.00 C ATOM 223 CD LYS A 14 -9.043 16.854 7.002 1.00 0.00 C ATOM 224 CE LYS A 14 -9.492 17.083 8.451 1.00 0.00 C ATOM 225 NZ LYS A 14 -10.387 16.003 8.939 1.00 0.00 N ATOM 0 H LYS A 14 -6.611 18.015 2.902 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.673 19.613 4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.475 17.238 4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.866 17.438 5.145 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.677 18.523 7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.219 18.913 6.377 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.891 16.537 6.394 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.305 16.053 6.962 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.615 17.145 9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.008 18.040 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.291 15.912 9.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.373 16.235 8.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.125 15.104 8.486 1.00 0.00 H new ATOM 239 N ALA A 15 -5.604 20.214 5.073 1.00 0.00 N ATOM 240 CA ALA A 15 -4.693 21.236 5.559 1.00 0.00 C ATOM 241 C ALA A 15 -3.310 20.916 4.995 1.00 0.00 C ATOM 242 O ALA A 15 -3.068 19.805 4.515 1.00 0.00 O ATOM 243 CB ALA A 15 -4.655 21.231 7.095 1.00 0.00 C ATOM 0 H ALA A 15 -5.116 19.380 4.746 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.020 22.225 5.239 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.968 22.002 7.444 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.653 21.431 7.484 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.316 20.257 7.447 1.00 0.00 H new ATOM 249 N TRP A 16 -2.382 21.858 5.115 1.00 0.00 N ATOM 250 CA TRP A 16 -0.964 21.614 4.916 1.00 0.00 C ATOM 251 C TRP A 16 -0.173 22.566 5.811 1.00 0.00 C ATOM 252 O TRP A 16 -0.702 23.576 6.288 1.00 0.00 O ATOM 253 CB TRP A 16 -0.593 21.701 3.429 1.00 0.00 C ATOM 254 CG TRP A 16 -1.105 22.877 2.656 1.00 0.00 C ATOM 255 CD1 TRP A 16 -2.255 22.911 1.944 1.00 0.00 C ATOM 256 CD2 TRP A 16 -0.470 24.174 2.445 1.00 0.00 C ATOM 257 NE1 TRP A 16 -2.372 24.127 1.304 1.00 0.00 N ATOM 258 CE2 TRP A 16 -1.283 24.936 1.552 1.00 0.00 C ATOM 259 CE3 TRP A 16 0.726 24.772 2.897 1.00 0.00 C ATOM 260 CZ2 TRP A 16 -0.910 26.214 1.108 1.00 0.00 C ATOM 261 CZ3 TRP A 16 1.103 26.059 2.466 1.00 0.00 C ATOM 262 CH2 TRP A 16 0.294 26.775 1.565 1.00 0.00 C ATOM 0 H TRP A 16 -2.599 22.825 5.357 1.00 0.00 H new ATOM 0 HA TRP A 16 -0.704 20.597 5.211 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.494 21.696 3.353 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -0.951 20.795 2.940 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -2.973 22.107 1.886 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -3.165 24.394 0.720 1.00 0.00 H new ATOM 0 HE3 TRP A 16 1.362 24.234 3.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -1.541 26.760 0.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.020 26.499 2.830 1.00 0.00 H new ATOM 0 HH2 TRP A 16 0.598 27.754 1.225 1.00 0.00 H new ATOM 273 N LEU A 17 1.073 22.195 6.095 1.00 0.00 N ATOM 274 CA LEU A 17 1.823 22.638 7.263 1.00 0.00 C ATOM 275 C LEU A 17 3.250 22.890 6.802 1.00 0.00 C ATOM 276 O LEU A 17 3.854 22.017 6.178 1.00 0.00 O ATOM 277 CB LEU A 17 1.776 21.535 8.353 1.00 0.00 C ATOM 278 CG LEU A 17 1.161 21.931 9.706 1.00 0.00 C ATOM 279 CD1 LEU A 17 2.004 22.997 10.415 1.00 0.00 C ATOM 280 CD2 LEU A 17 -0.297 22.381 9.554 1.00 0.00 C ATOM 0 H LEU A 17 1.603 21.559 5.499 1.00 0.00 H new ATOM 0 HA LEU A 17 1.402 23.547 7.693 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.214 20.689 7.958 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.794 21.187 8.530 1.00 0.00 H new ATOM 0 HG LEU A 17 1.162 21.040 10.335 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.540 23.253 11.368 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.007 22.609 10.592 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.065 23.888 9.790 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.698 22.653 10.531 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.344 23.244 8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.887 21.567 9.134 1.00 0.00 H new ATOM 292 N ASN A 18 3.772 24.086 7.089 1.00 0.00 N ATOM 293 CA ASN A 18 5.085 24.618 6.689 1.00 0.00 C ATOM 294 C ASN A 18 5.191 24.898 5.185 1.00 0.00 C ATOM 295 O ASN A 18 5.862 25.852 4.787 1.00 0.00 O ATOM 296 CB ASN A 18 6.248 23.715 7.133 1.00 0.00 C ATOM 297 CG ASN A 18 6.171 23.308 8.598 1.00 0.00 C ATOM 298 OD1 ASN A 18 6.115 24.154 9.487 1.00 0.00 O ATOM 299 ND2 ASN A 18 6.174 22.016 8.885 1.00 0.00 N ATOM 0 H ASN A 18 3.251 24.761 7.649 1.00 0.00 H new ATOM 0 HA ASN A 18 5.168 25.571 7.212 1.00 0.00 H new ATOM 0 HB2 ASN A 18 6.258 22.818 6.514 1.00 0.00 H new ATOM 0 HB3 ASN A 18 7.190 24.235 6.957 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.129 21.709 9.857 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.221 21.327 8.134 1.00 0.00 H new ATOM 306 N GLY A 19 4.525 24.103 4.350 1.00 0.00 N ATOM 307 CA GLY A 19 4.459 24.241 2.907 1.00 0.00 C ATOM 308 C GLY A 19 3.765 23.015 2.324 1.00 0.00 C ATOM 309 O GLY A 19 3.472 22.055 3.041 1.00 0.00 O ATOM 0 H GLY A 19 3.989 23.303 4.686 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.913 25.146 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.462 24.339 2.492 1.00 0.00 H new ATOM 313 N GLU A 20 3.547 23.023 1.014 1.00 0.00 N ATOM 314 CA GLU A 20 3.200 21.843 0.238 1.00 0.00 C ATOM 315 C GLU A 20 3.933 21.932 -1.099 1.00 0.00 C ATOM 316 O GLU A 20 4.416 23.000 -1.493 1.00 0.00 O ATOM 317 CB GLU A 20 1.675 21.652 0.127 1.00 0.00 C ATOM 318 CG GLU A 20 0.851 22.811 -0.459 1.00 0.00 C ATOM 319 CD GLU A 20 0.911 22.919 -1.996 1.00 0.00 C ATOM 320 OE1 GLU A 20 0.191 22.153 -2.685 1.00 0.00 O ATOM 321 OE2 GLU A 20 1.624 23.806 -2.526 1.00 0.00 O ATOM 0 H GLU A 20 3.609 23.871 0.451 1.00 0.00 H new ATOM 0 HA GLU A 20 3.530 20.935 0.742 1.00 0.00 H new ATOM 0 HB2 GLU A 20 1.491 20.768 -0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.290 21.437 1.124 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.189 22.692 -0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.204 23.747 -0.027 1.00 0.00 H new ATOM 328 N VAL A 21 4.116 20.780 -1.736 1.00 0.00 N ATOM 329 CA VAL A 21 5.083 20.580 -2.803 1.00 0.00 C ATOM 330 C VAL A 21 4.667 19.297 -3.533 1.00 0.00 C ATOM 331 O VAL A 21 4.053 18.411 -2.927 1.00 0.00 O ATOM 332 CB VAL A 21 6.496 20.527 -2.163 1.00 0.00 C ATOM 333 CG1 VAL A 21 6.670 19.377 -1.156 1.00 0.00 C ATOM 334 CG2 VAL A 21 7.623 20.498 -3.200 1.00 0.00 C ATOM 0 H VAL A 21 3.581 19.940 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 21 5.112 21.384 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 21 6.575 21.462 -1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.681 19.400 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.949 19.490 -0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.504 18.424 -1.659 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.586 20.461 -2.690 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.513 19.617 -3.832 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.573 21.395 -3.817 1.00 0.00 H new ATOM 344 N THR A 22 4.983 19.190 -4.821 1.00 0.00 N ATOM 345 CA THR A 22 4.629 18.043 -5.650 1.00 0.00 C ATOM 346 C THR A 22 5.880 17.206 -5.920 1.00 0.00 C ATOM 347 O THR A 22 7.006 17.676 -5.721 1.00 0.00 O ATOM 348 CB THR A 22 3.961 18.544 -6.946 1.00 0.00 C ATOM 349 OG1 THR A 22 4.684 19.634 -7.501 1.00 0.00 O ATOM 350 CG2 THR A 22 2.530 19.018 -6.679 1.00 0.00 C ATOM 0 H THR A 22 5.501 19.910 -5.325 1.00 0.00 H new ATOM 0 HA THR A 22 3.913 17.400 -5.138 1.00 0.00 H new ATOM 0 HB THR A 22 3.953 17.706 -7.642 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.243 19.934 -8.323 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.082 19.366 -7.610 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.942 18.192 -6.280 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.546 19.834 -5.957 1.00 0.00 H new ATOM 358 N ARG A 23 5.692 15.972 -6.412 1.00 0.00 N ATOM 359 CA ARG A 23 6.800 15.091 -6.793 1.00 0.00 C ATOM 360 C ARG A 23 7.779 15.827 -7.703 1.00 0.00 C ATOM 361 O ARG A 23 8.964 15.892 -7.403 1.00 0.00 O ATOM 362 CB ARG A 23 6.270 13.770 -7.399 1.00 0.00 C ATOM 363 CG ARG A 23 5.517 13.896 -8.738 1.00 0.00 C ATOM 364 CD ARG A 23 4.869 12.570 -9.143 1.00 0.00 C ATOM 365 NE ARG A 23 4.332 12.631 -10.517 1.00 0.00 N ATOM 366 CZ ARG A 23 3.367 11.853 -11.029 1.00 0.00 C ATOM 367 NH1 ARG A 23 2.672 11.027 -10.250 1.00 0.00 N ATOM 368 NH2 ARG A 23 3.101 11.906 -12.333 1.00 0.00 N ATOM 0 H ARG A 23 4.770 15.560 -6.556 1.00 0.00 H new ATOM 0 HA ARG A 23 7.360 14.810 -5.901 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.113 13.094 -7.541 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.605 13.301 -6.673 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.750 14.666 -8.655 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.209 14.217 -9.517 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.604 11.768 -9.073 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.066 12.328 -8.447 1.00 0.00 H new ATOM 0 HE ARG A 23 4.734 13.334 -11.137 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.871 10.980 -9.251 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.941 10.441 -10.652 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.630 12.536 -12.936 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.368 11.317 -12.728 1.00 0.00 H new ATOM 382 N GLU A 24 7.275 16.490 -8.744 1.00 0.00 N ATOM 383 CA GLU A 24 8.090 17.133 -9.773 1.00 0.00 C ATOM 384 C GLU A 24 8.895 18.339 -9.255 1.00 0.00 C ATOM 385 O GLU A 24 9.768 18.837 -9.971 1.00 0.00 O ATOM 386 CB GLU A 24 7.198 17.493 -10.974 1.00 0.00 C ATOM 387 CG GLU A 24 6.097 18.516 -10.653 1.00 0.00 C ATOM 388 CD GLU A 24 5.194 18.765 -11.874 1.00 0.00 C ATOM 389 OE1 GLU A 24 5.492 19.678 -12.683 1.00 0.00 O ATOM 390 OE2 GLU A 24 4.168 18.057 -12.030 1.00 0.00 O ATOM 0 H GLU A 24 6.272 16.597 -8.898 1.00 0.00 H new ATOM 0 HA GLU A 24 8.849 16.420 -10.094 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.825 17.889 -11.773 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.734 16.583 -11.354 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.494 18.156 -9.819 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.551 19.455 -10.336 1.00 0.00 H new ATOM 397 N GLN A 25 8.637 18.800 -8.024 1.00 0.00 N ATOM 398 CA GLN A 25 9.400 19.855 -7.362 1.00 0.00 C ATOM 399 C GLN A 25 10.368 19.281 -6.312 1.00 0.00 C ATOM 400 O GLN A 25 11.256 20.004 -5.850 1.00 0.00 O ATOM 401 CB GLN A 25 8.428 20.853 -6.715 1.00 0.00 C ATOM 402 CG GLN A 25 7.605 21.642 -7.742 1.00 0.00 C ATOM 403 CD GLN A 25 6.711 22.675 -7.051 1.00 0.00 C ATOM 404 OE1 GLN A 25 7.138 23.790 -6.751 1.00 0.00 O ATOM 405 NE2 GLN A 25 5.461 22.336 -6.767 1.00 0.00 N ATOM 0 H GLN A 25 7.874 18.439 -7.452 1.00 0.00 H new ATOM 0 HA GLN A 25 10.005 20.367 -8.110 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.751 20.314 -6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.992 21.551 -6.096 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.274 22.144 -8.441 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.991 20.956 -8.325 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.114 21.410 -7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.847 23.001 -6.297 1.00 0.00 H new ATOM 414 N LEU A 26 10.226 18.005 -5.932 1.00 0.00 N ATOM 415 CA LEU A 26 11.074 17.344 -4.945 1.00 0.00 C ATOM 416 C LEU A 26 12.211 16.592 -5.641 1.00 0.00 C ATOM 417 O LEU A 26 13.386 16.808 -5.332 1.00 0.00 O ATOM 418 CB LEU A 26 10.238 16.352 -4.103 1.00 0.00 C ATOM 419 CG LEU A 26 10.431 16.584 -2.597 1.00 0.00 C ATOM 420 CD1 LEU A 26 9.597 17.763 -2.105 1.00 0.00 C ATOM 421 CD2 LEU A 26 10.040 15.332 -1.817 1.00 0.00 C ATOM 0 H LEU A 26 9.502 17.395 -6.313 1.00 0.00 H new ATOM 0 HA LEU A 26 11.498 18.104 -4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.183 16.459 -4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.524 15.330 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 26 11.484 16.809 -2.430 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.756 17.900 -1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.896 18.667 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.542 17.565 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.181 15.509 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.994 15.095 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.665 14.497 -2.132 1.00 0.00 H new ATOM 433 N ILE A 27 11.858 15.698 -6.568 1.00 0.00 N ATOM 434 CA ILE A 27 12.804 14.818 -7.248 1.00 0.00 C ATOM 435 C ILE A 27 13.444 15.543 -8.436 1.00 0.00 C ATOM 436 O ILE A 27 12.946 16.571 -8.905 1.00 0.00 O ATOM 437 CB ILE A 27 12.131 13.481 -7.641 1.00 0.00 C ATOM 438 CG1 ILE A 27 10.737 13.658 -8.277 1.00 0.00 C ATOM 439 CG2 ILE A 27 12.045 12.613 -6.374 1.00 0.00 C ATOM 440 CD1 ILE A 27 10.266 12.501 -9.156 1.00 0.00 C ATOM 0 H ILE A 27 10.893 15.565 -6.870 1.00 0.00 H new ATOM 0 HA ILE A 27 13.612 14.560 -6.563 1.00 0.00 H new ATOM 0 HB ILE A 27 12.737 13.002 -8.410 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.009 13.806 -7.480 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.743 14.568 -8.876 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.574 11.660 -6.617 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.048 12.434 -5.987 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.452 13.129 -5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.276 12.726 -9.554 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.965 12.362 -9.981 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.220 11.588 -8.562 1.00 0.00 H new ATOM 452 N GLY A 28 14.575 15.004 -8.895 1.00 0.00 N ATOM 453 CA GLY A 28 15.411 15.580 -9.940 1.00 0.00 C ATOM 454 C GLY A 28 16.837 15.821 -9.448 1.00 0.00 C ATOM 455 O GLY A 28 17.755 15.877 -10.269 1.00 0.00 O ATOM 0 H GLY A 28 14.943 14.124 -8.534 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.430 14.912 -10.801 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.977 16.522 -10.277 1.00 0.00 H new ATOM 459 N GLU A 29 17.055 15.916 -8.129 1.00 0.00 N ATOM 460 CA GLU A 29 18.327 16.381 -7.571 1.00 0.00 C ATOM 461 C GLU A 29 18.777 15.564 -6.353 1.00 0.00 C ATOM 462 O GLU A 29 19.956 15.211 -6.275 1.00 0.00 O ATOM 463 CB GLU A 29 18.178 17.871 -7.221 1.00 0.00 C ATOM 464 CG GLU A 29 19.521 18.543 -6.900 1.00 0.00 C ATOM 465 CD GLU A 29 19.336 20.035 -6.572 1.00 0.00 C ATOM 466 OE1 GLU A 29 19.028 20.372 -5.402 1.00 0.00 O ATOM 467 OE2 GLU A 29 19.512 20.888 -7.478 1.00 0.00 O ATOM 0 H GLU A 29 16.358 15.674 -7.425 1.00 0.00 H new ATOM 0 HA GLU A 29 19.110 16.243 -8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 29 17.707 18.390 -8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 29 17.511 17.974 -6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.990 18.038 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 29 20.196 18.436 -7.749 1.00 0.00 H new ATOM 474 N LYS A 30 17.872 15.225 -5.421 1.00 0.00 N ATOM 475 CA LYS A 30 18.227 14.526 -4.177 1.00 0.00 C ATOM 476 C LYS A 30 17.230 13.394 -3.921 1.00 0.00 C ATOM 477 O LYS A 30 16.087 13.504 -4.375 1.00 0.00 O ATOM 478 CB LYS A 30 18.289 15.483 -2.955 1.00 0.00 C ATOM 479 CG LYS A 30 18.567 16.969 -3.251 1.00 0.00 C ATOM 480 CD LYS A 30 19.108 17.753 -2.042 1.00 0.00 C ATOM 481 CE LYS A 30 18.144 17.914 -0.853 1.00 0.00 C ATOM 482 NZ LYS A 30 17.132 18.986 -1.059 1.00 0.00 N ATOM 0 H LYS A 30 16.876 15.427 -5.509 1.00 0.00 H new ATOM 0 HA LYS A 30 19.228 14.113 -4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.341 15.414 -2.421 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.063 15.121 -2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.285 17.039 -4.068 1.00 0.00 H new ATOM 0 HG3 LYS A 30 17.646 17.440 -3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.011 17.256 -1.687 1.00 0.00 H new ATOM 0 HD3 LYS A 30 19.403 18.746 -2.381 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.631 16.968 -0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 30 18.720 18.135 0.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.019 19.531 -0.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.448 19.620 -1.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 16.221 18.558 -1.320 1.00 0.00 H new ATOM 496 N PRO A 31 17.626 12.325 -3.204 1.00 0.00 N ATOM 497 CA PRO A 31 16.690 11.323 -2.710 1.00 0.00 C ATOM 498 C PRO A 31 15.727 11.953 -1.700 1.00 0.00 C ATOM 499 O PRO A 31 15.884 13.108 -1.304 1.00 0.00 O ATOM 500 CB PRO A 31 17.556 10.215 -2.101 1.00 0.00 C ATOM 501 CG PRO A 31 18.839 10.928 -1.695 1.00 0.00 C ATOM 502 CD PRO A 31 18.975 12.040 -2.731 1.00 0.00 C ATOM 0 HA PRO A 31 16.057 10.911 -3.496 1.00 0.00 H new ATOM 0 HB2 PRO A 31 17.068 9.754 -1.243 1.00 0.00 H new ATOM 0 HB3 PRO A 31 17.752 9.421 -2.821 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.772 11.328 -0.683 1.00 0.00 H new ATOM 0 HG3 PRO A 31 19.696 10.254 -1.715 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.429 12.928 -2.291 1.00 0.00 H new ATOM 0 HD3 PRO A 31 19.618 11.728 -3.554 1.00 0.00 H new ATOM 510 N THR A 32 14.738 11.189 -1.253 1.00 0.00 N ATOM 511 CA THR A 32 13.593 11.707 -0.522 1.00 0.00 C ATOM 512 C THR A 32 13.216 10.739 0.599 1.00 0.00 C ATOM 513 O THR A 32 13.354 9.523 0.444 1.00 0.00 O ATOM 514 CB THR A 32 12.457 11.883 -1.543 1.00 0.00 C ATOM 515 OG1 THR A 32 12.792 12.930 -2.441 1.00 0.00 O ATOM 516 CG2 THR A 32 11.087 12.165 -0.919 1.00 0.00 C ATOM 0 H THR A 32 14.710 10.179 -1.391 1.00 0.00 H new ATOM 0 HA THR A 32 13.810 12.664 -0.048 1.00 0.00 H new ATOM 0 HB THR A 32 12.362 10.929 -2.062 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.070 13.044 -3.094 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.343 12.276 -1.708 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.806 11.336 -0.269 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.135 13.084 -0.335 1.00 0.00 H new ATOM 524 N LEU A 33 12.667 11.279 1.690 1.00 0.00 N ATOM 525 CA LEU A 33 11.887 10.552 2.682 1.00 0.00 C ATOM 526 C LEU A 33 10.464 11.105 2.621 1.00 0.00 C ATOM 527 O LEU A 33 10.277 12.317 2.747 1.00 0.00 O ATOM 528 CB LEU A 33 12.483 10.761 4.091 1.00 0.00 C ATOM 529 CG LEU A 33 11.582 10.236 5.233 1.00 0.00 C ATOM 530 CD1 LEU A 33 11.322 8.732 5.116 1.00 0.00 C ATOM 531 CD2 LEU A 33 12.214 10.516 6.598 1.00 0.00 C ATOM 0 H LEU A 33 12.760 12.271 1.910 1.00 0.00 H new ATOM 0 HA LEU A 33 11.898 9.482 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 33 13.450 10.261 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.665 11.825 4.244 1.00 0.00 H new ATOM 0 HG LEU A 33 10.633 10.765 5.144 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.685 8.408 5.939 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.826 8.521 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.269 8.195 5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 33 11.562 10.138 7.385 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.183 10.020 6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.348 11.590 6.723 1.00 0.00 H new ATOM 543 N ILE A 34 9.477 10.218 2.494 1.00 0.00 N ATOM 544 CA ILE A 34 8.079 10.496 2.804 1.00 0.00 C ATOM 545 C ILE A 34 7.795 9.677 4.067 1.00 0.00 C ATOM 546 O ILE A 34 8.169 8.502 4.120 1.00 0.00 O ATOM 547 CB ILE A 34 7.138 10.088 1.637 1.00 0.00 C ATOM 548 CG1 ILE A 34 7.653 10.557 0.254 1.00 0.00 C ATOM 549 CG2 ILE A 34 5.717 10.623 1.908 1.00 0.00 C ATOM 550 CD1 ILE A 34 6.709 10.223 -0.906 1.00 0.00 C ATOM 0 H ILE A 34 9.633 9.265 2.165 1.00 0.00 H new ATOM 0 HA ILE A 34 7.899 11.560 2.954 1.00 0.00 H new ATOM 0 HB ILE A 34 7.118 8.999 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.811 11.635 0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.623 10.098 0.064 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.058 10.336 1.089 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.341 10.202 2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.746 11.710 1.987 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.139 10.583 -1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.570 9.143 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.745 10.704 -0.741 1.00 0.00 H new ATOM 562 N HIS A 35 7.134 10.252 5.073 1.00 0.00 N ATOM 563 CA HIS A 35 6.711 9.495 6.247 1.00 0.00 C ATOM 564 C HIS A 35 5.262 9.812 6.589 1.00 0.00 C ATOM 565 O HIS A 35 4.777 10.923 6.356 1.00 0.00 O ATOM 566 CB HIS A 35 7.663 9.713 7.431 1.00 0.00 C ATOM 567 CG HIS A 35 7.611 11.076 8.072 1.00 0.00 C ATOM 568 ND1 HIS A 35 6.905 11.401 9.209 1.00 0.00 N ATOM 569 CD2 HIS A 35 8.303 12.194 7.690 1.00 0.00 C ATOM 570 CE1 HIS A 35 7.163 12.685 9.500 1.00 0.00 C ATOM 571 NE2 HIS A 35 8.018 13.216 8.606 1.00 0.00 N ATOM 0 H HIS A 35 6.881 11.240 5.096 1.00 0.00 H new ATOM 0 HA HIS A 35 6.762 8.432 6.012 1.00 0.00 H new ATOM 0 HB2 HIS A 35 7.442 8.965 8.193 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.683 9.531 7.091 1.00 0.00 H new ATOM 0 HD1 HIS A 35 6.295 10.777 9.736 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.955 12.274 6.833 1.00 0.00 H new ATOM 0 HE1 HIS A 35 6.742 13.220 10.338 1.00 0.00 H new ATOM 579 N PHE A 36 4.562 8.813 7.118 1.00 0.00 N ATOM 580 CA PHE A 36 3.151 8.874 7.461 1.00 0.00 C ATOM 581 C PHE A 36 3.078 8.826 8.982 1.00 0.00 C ATOM 582 O PHE A 36 3.772 8.012 9.601 1.00 0.00 O ATOM 583 CB PHE A 36 2.385 7.702 6.824 1.00 0.00 C ATOM 584 CG PHE A 36 2.212 7.687 5.307 1.00 0.00 C ATOM 585 CD1 PHE A 36 2.779 8.659 4.453 1.00 0.00 C ATOM 586 CD2 PHE A 36 1.441 6.657 4.738 1.00 0.00 C ATOM 587 CE1 PHE A 36 2.572 8.604 3.065 1.00 0.00 C ATOM 588 CE2 PHE A 36 1.240 6.598 3.348 1.00 0.00 C ATOM 589 CZ PHE A 36 1.792 7.580 2.515 1.00 0.00 C ATOM 0 H PHE A 36 4.981 7.906 7.326 1.00 0.00 H new ATOM 0 HA PHE A 36 2.688 9.785 7.081 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.891 6.780 7.110 1.00 0.00 H new ATOM 0 HB3 PHE A 36 1.392 7.672 7.272 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.379 9.453 4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.000 5.905 5.375 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.014 9.351 2.423 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.659 5.794 2.921 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.616 7.547 1.450 1.00 0.00 H new ATOM 599 N TRP A 37 2.269 9.697 9.585 1.00 0.00 N ATOM 600 CA TRP A 37 2.204 9.868 11.034 1.00 0.00 C ATOM 601 C TRP A 37 0.790 10.273 11.473 1.00 0.00 C ATOM 602 O TRP A 37 -0.050 10.622 10.639 1.00 0.00 O ATOM 603 CB TRP A 37 3.282 10.875 11.481 1.00 0.00 C ATOM 604 CG TRP A 37 3.116 12.307 11.059 1.00 0.00 C ATOM 605 CD1 TRP A 37 3.157 12.781 9.792 1.00 0.00 C ATOM 606 CD2 TRP A 37 2.910 13.479 11.905 1.00 0.00 C ATOM 607 NE1 TRP A 37 2.968 14.148 9.795 1.00 0.00 N ATOM 608 CE2 TRP A 37 2.822 14.636 11.074 1.00 0.00 C ATOM 609 CE3 TRP A 37 2.792 13.681 13.297 1.00 0.00 C ATOM 610 CZ2 TRP A 37 2.576 15.917 11.593 1.00 0.00 C ATOM 611 CZ3 TRP A 37 2.589 14.968 13.829 1.00 0.00 C ATOM 612 CH2 TRP A 37 2.460 16.081 12.983 1.00 0.00 C ATOM 0 H TRP A 37 1.634 10.310 9.074 1.00 0.00 H new ATOM 0 HA TRP A 37 2.414 8.919 11.528 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.334 10.850 12.569 1.00 0.00 H new ATOM 0 HB3 TRP A 37 4.244 10.524 11.108 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.314 12.179 8.909 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.940 14.725 8.954 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.859 12.834 13.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.477 16.765 10.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.532 15.101 14.899 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.272 17.060 13.400 1.00 0.00 H new ATOM 623 N SER A 38 0.544 10.225 12.784 1.00 0.00 N ATOM 624 CA SER A 38 -0.729 10.512 13.438 1.00 0.00 C ATOM 625 C SER A 38 -0.410 11.052 14.833 1.00 0.00 C ATOM 626 O SER A 38 0.388 10.427 15.537 1.00 0.00 O ATOM 627 CB SER A 38 -1.546 9.219 13.574 1.00 0.00 C ATOM 628 OG SER A 38 -1.967 8.724 12.316 1.00 0.00 O ATOM 0 H SER A 38 1.271 9.970 13.453 1.00 0.00 H new ATOM 0 HA SER A 38 -1.305 11.232 12.857 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.946 8.462 14.079 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.418 9.405 14.201 1.00 0.00 H new ATOM 0 HG SER A 38 -2.597 9.356 11.910 1.00 0.00 H new ATOM 634 N ILE A 39 -1.027 12.156 15.273 1.00 0.00 N ATOM 635 CA ILE A 39 -0.825 12.657 16.640 1.00 0.00 C ATOM 636 C ILE A 39 -1.496 11.766 17.708 1.00 0.00 C ATOM 637 O ILE A 39 -1.356 12.050 18.897 1.00 0.00 O ATOM 638 CB ILE A 39 -1.181 14.160 16.797 1.00 0.00 C ATOM 639 CG1 ILE A 39 -2.648 14.503 16.494 1.00 0.00 C ATOM 640 CG2 ILE A 39 -0.249 15.027 15.939 1.00 0.00 C ATOM 641 CD1 ILE A 39 -3.019 15.952 16.830 1.00 0.00 C ATOM 0 H ILE A 39 -1.665 12.716 14.708 1.00 0.00 H new ATOM 0 HA ILE A 39 0.247 12.590 16.824 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.035 14.382 17.854 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.844 14.322 15.437 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.294 13.831 17.058 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.514 16.077 16.062 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.783 14.874 16.254 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.354 14.747 14.891 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.068 16.124 16.591 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.855 16.133 17.892 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.398 16.631 16.246 1.00 0.00 H new ATOM 653 N SER A 40 -2.181 10.681 17.328 1.00 0.00 N ATOM 654 CA SER A 40 -2.814 9.759 18.271 1.00 0.00 C ATOM 655 C SER A 40 -1.921 8.570 18.670 1.00 0.00 C ATOM 656 O SER A 40 -2.303 7.818 19.572 1.00 0.00 O ATOM 657 CB SER A 40 -4.122 9.237 17.665 1.00 0.00 C ATOM 658 OG SER A 40 -4.937 10.307 17.232 1.00 0.00 O ATOM 0 H SER A 40 -2.311 10.419 16.351 1.00 0.00 H new ATOM 0 HA SER A 40 -3.001 10.324 19.185 1.00 0.00 H new ATOM 0 HB2 SER A 40 -3.901 8.579 16.825 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.658 8.642 18.404 1.00 0.00 H new ATOM 0 HG SER A 40 -5.215 10.152 16.305 1.00 0.00 H new ATOM 664 N CYS A 41 -0.761 8.362 18.027 1.00 0.00 N ATOM 665 CA CYS A 41 0.015 7.127 18.178 1.00 0.00 C ATOM 666 C CYS A 41 1.294 7.386 18.976 1.00 0.00 C ATOM 667 O CYS A 41 2.039 8.319 18.674 1.00 0.00 O ATOM 668 CB CYS A 41 0.363 6.559 16.796 1.00 0.00 C ATOM 669 SG CYS A 41 -1.131 6.256 15.807 1.00 0.00 S ATOM 0 H CYS A 41 -0.340 9.041 17.393 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.589 6.402 18.723 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.015 7.255 16.269 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.918 5.628 16.913 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.793 5.779 14.646 1.00 0.00 H new ATOM 675 N HIS A 42 1.585 6.518 19.948 1.00 0.00 N ATOM 676 CA HIS A 42 2.739 6.637 20.837 1.00 0.00 C ATOM 677 C HIS A 42 4.057 6.642 20.054 1.00 0.00 C ATOM 678 O HIS A 42 4.923 7.476 20.314 1.00 0.00 O ATOM 679 CB HIS A 42 2.693 5.483 21.852 1.00 0.00 C ATOM 680 CG HIS A 42 3.833 5.477 22.842 1.00 0.00 C ATOM 681 ND1 HIS A 42 3.875 6.142 24.049 1.00 0.00 N ATOM 682 CD2 HIS A 42 5.003 4.771 22.730 1.00 0.00 C ATOM 683 CE1 HIS A 42 5.042 5.844 24.648 1.00 0.00 C ATOM 684 NE2 HIS A 42 5.770 5.008 23.880 1.00 0.00 N ATOM 0 H HIS A 42 1.012 5.697 20.141 1.00 0.00 H new ATOM 0 HA HIS A 42 2.693 7.590 21.365 1.00 0.00 H new ATOM 0 HB2 HIS A 42 1.752 5.535 22.400 1.00 0.00 H new ATOM 0 HB3 HIS A 42 2.694 4.538 21.309 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.285 4.141 21.899 1.00 0.00 H new ATOM 0 HE1 HIS A 42 5.353 6.222 25.611 1.00 0.00 H new ATOM 0 HE2 HIS A 42 6.691 4.626 24.092 1.00 0.00 H new ATOM 692 N LEU A 43 4.215 5.746 19.070 1.00 0.00 N ATOM 693 CA LEU A 43 5.454 5.685 18.290 1.00 0.00 C ATOM 694 C LEU A 43 5.607 6.911 17.392 1.00 0.00 C ATOM 695 O LEU A 43 6.734 7.337 17.161 1.00 0.00 O ATOM 696 CB LEU A 43 5.550 4.392 17.463 1.00 0.00 C ATOM 697 CG LEU A 43 5.803 3.110 18.282 1.00 0.00 C ATOM 698 CD1 LEU A 43 5.861 1.914 17.325 1.00 0.00 C ATOM 699 CD2 LEU A 43 7.106 3.165 19.094 1.00 0.00 C ATOM 0 H LEU A 43 3.508 5.062 18.799 1.00 0.00 H new ATOM 0 HA LEU A 43 6.277 5.681 19.005 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.624 4.269 16.901 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.353 4.504 16.734 1.00 0.00 H new ATOM 0 HG LEU A 43 4.983 3.011 18.994 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.040 1.001 17.894 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.915 1.829 16.791 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.670 2.060 16.609 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.228 2.235 19.649 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.951 3.298 18.418 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.065 4.001 19.792 1.00 0.00 H new ATOM 711 N CYS A 44 4.512 7.528 16.930 1.00 0.00 N ATOM 712 CA CYS A 44 4.601 8.802 16.217 1.00 0.00 C ATOM 713 C CYS A 44 5.155 9.891 17.142 1.00 0.00 C ATOM 714 O CYS A 44 5.984 10.681 16.700 1.00 0.00 O ATOM 715 CB CYS A 44 3.240 9.223 15.649 1.00 0.00 C ATOM 716 SG CYS A 44 2.675 8.039 14.392 1.00 0.00 S ATOM 0 H CYS A 44 3.564 7.167 17.037 1.00 0.00 H new ATOM 0 HA CYS A 44 5.284 8.669 15.378 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.507 9.284 16.454 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.315 10.218 15.211 1.00 0.00 H new ATOM 0 HG CYS A 44 1.376 8.047 14.341 1.00 0.00 H new ATOM 722 N LYS A 45 4.773 9.921 18.426 1.00 0.00 N ATOM 723 CA LYS A 45 5.333 10.892 19.374 1.00 0.00 C ATOM 724 C LYS A 45 6.834 10.685 19.598 1.00 0.00 C ATOM 725 O LYS A 45 7.512 11.647 19.955 1.00 0.00 O ATOM 726 CB LYS A 45 4.606 10.865 20.731 1.00 0.00 C ATOM 727 CG LYS A 45 3.097 11.145 20.687 1.00 0.00 C ATOM 728 CD LYS A 45 2.738 12.434 19.929 1.00 0.00 C ATOM 729 CE LYS A 45 1.259 12.798 20.104 1.00 0.00 C ATOM 730 NZ LYS A 45 0.949 13.401 21.428 1.00 0.00 N ATOM 0 H LYS A 45 4.083 9.288 18.830 1.00 0.00 H new ATOM 0 HA LYS A 45 5.181 11.869 18.916 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.762 9.887 21.186 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.074 11.599 21.387 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.592 10.302 20.215 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.718 11.214 21.707 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.360 13.254 20.289 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.959 12.307 18.869 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.970 13.496 19.319 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.654 11.901 19.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.066 13.623 21.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.195 12.728 22.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.501 14.274 21.549 1.00 0.00 H new ATOM 744 N GLU A 46 7.364 9.478 19.385 1.00 0.00 N ATOM 745 CA GLU A 46 8.800 9.215 19.465 1.00 0.00 C ATOM 746 C GLU A 46 9.478 9.539 18.130 1.00 0.00 C ATOM 747 O GLU A 46 10.597 10.056 18.117 1.00 0.00 O ATOM 748 CB GLU A 46 9.053 7.750 19.855 1.00 0.00 C ATOM 749 CG GLU A 46 8.590 7.409 21.280 1.00 0.00 C ATOM 750 CD GLU A 46 9.386 8.174 22.355 1.00 0.00 C ATOM 751 OE1 GLU A 46 10.503 7.729 22.718 1.00 0.00 O ATOM 752 OE2 GLU A 46 8.904 9.219 22.856 1.00 0.00 O ATOM 0 H GLU A 46 6.807 8.656 19.152 1.00 0.00 H new ATOM 0 HA GLU A 46 9.229 9.857 20.234 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.538 7.099 19.148 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.118 7.537 19.766 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.530 7.644 21.381 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.696 6.337 21.447 1.00 0.00 H new ATOM 759 N ALA A 47 8.805 9.283 17.002 1.00 0.00 N ATOM 760 CA ALA A 47 9.301 9.650 15.683 1.00 0.00 C ATOM 761 C ALA A 47 9.424 11.167 15.564 1.00 0.00 C ATOM 762 O ALA A 47 10.413 11.641 15.031 1.00 0.00 O ATOM 763 CB ALA A 47 8.387 9.088 14.586 1.00 0.00 C ATOM 0 H ALA A 47 7.899 8.814 16.985 1.00 0.00 H new ATOM 0 HA ALA A 47 10.292 9.215 15.552 1.00 0.00 H new ATOM 0 HB1 ALA A 47 8.775 9.373 13.608 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.355 8.001 14.661 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.381 9.490 14.709 1.00 0.00 H new ATOM 769 N MET A 48 8.463 11.934 16.072 1.00 0.00 N ATOM 770 CA MET A 48 8.387 13.384 15.910 1.00 0.00 C ATOM 771 C MET A 48 9.664 14.159 16.278 1.00 0.00 C ATOM 772 O MET A 48 10.167 14.889 15.420 1.00 0.00 O ATOM 773 CB MET A 48 7.162 13.900 16.669 1.00 0.00 C ATOM 774 CG MET A 48 5.893 13.772 15.823 1.00 0.00 C ATOM 775 SD MET A 48 5.835 14.948 14.452 1.00 0.00 S ATOM 776 CE MET A 48 6.156 13.882 13.019 1.00 0.00 C ATOM 0 H MET A 48 7.694 11.554 16.623 1.00 0.00 H new ATOM 0 HA MET A 48 8.284 13.575 14.842 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.042 13.339 17.596 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.315 14.943 16.945 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.828 12.758 15.428 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.022 13.922 16.460 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.697 14.318 12.131 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.231 13.793 12.865 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.732 12.894 13.198 1.00 0.00 H new ATOM 786 N PRO A 49 10.251 14.025 17.482 1.00 0.00 N ATOM 787 CA PRO A 49 11.497 14.711 17.795 1.00 0.00 C ATOM 788 C PRO A 49 12.648 14.184 16.933 1.00 0.00 C ATOM 789 O PRO A 49 13.524 14.964 16.550 1.00 0.00 O ATOM 790 CB PRO A 49 11.733 14.493 19.293 1.00 0.00 C ATOM 791 CG PRO A 49 10.936 13.230 19.612 1.00 0.00 C ATOM 792 CD PRO A 49 9.757 13.314 18.646 1.00 0.00 C ATOM 0 HA PRO A 49 11.441 15.777 17.572 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.792 14.364 19.516 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.385 15.343 19.880 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.527 12.328 19.450 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.606 13.213 20.651 1.00 0.00 H new ATOM 0 HD2 PRO A 49 9.401 12.320 18.375 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.917 13.841 19.099 1.00 0.00 H new ATOM 800 N GLN A 50 12.637 12.892 16.585 1.00 0.00 N ATOM 801 CA GLN A 50 13.654 12.302 15.724 1.00 0.00 C ATOM 802 C GLN A 50 13.546 12.842 14.291 1.00 0.00 C ATOM 803 O GLN A 50 14.573 13.082 13.667 1.00 0.00 O ATOM 804 CB GLN A 50 13.604 10.767 15.798 1.00 0.00 C ATOM 805 CG GLN A 50 14.082 10.289 17.183 1.00 0.00 C ATOM 806 CD GLN A 50 14.100 8.767 17.324 1.00 0.00 C ATOM 807 OE1 GLN A 50 13.415 8.188 18.162 1.00 0.00 O ATOM 808 NE2 GLN A 50 14.884 8.072 16.510 1.00 0.00 N ATOM 0 H GLN A 50 11.923 12.233 16.894 1.00 0.00 H new ATOM 0 HA GLN A 50 14.638 12.599 16.086 1.00 0.00 H new ATOM 0 HB2 GLN A 50 12.587 10.419 15.615 1.00 0.00 H new ATOM 0 HB3 GLN A 50 14.233 10.337 15.019 1.00 0.00 H new ATOM 0 HG2 GLN A 50 15.084 10.676 17.367 1.00 0.00 H new ATOM 0 HG3 GLN A 50 13.432 10.710 17.950 1.00 0.00 H new ATOM 0 HE21 GLN A 50 15.453 8.555 15.814 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.918 7.055 16.580 1.00 0.00 H new ATOM 817 N VAL A 51 12.340 13.113 13.784 1.00 0.00 N ATOM 818 CA VAL A 51 12.098 13.781 12.506 1.00 0.00 C ATOM 819 C VAL A 51 12.723 15.178 12.536 1.00 0.00 C ATOM 820 O VAL A 51 13.316 15.579 11.539 1.00 0.00 O ATOM 821 CB VAL A 51 10.580 13.798 12.196 1.00 0.00 C ATOM 822 CG1 VAL A 51 10.202 14.714 11.026 1.00 0.00 C ATOM 823 CG2 VAL A 51 10.049 12.399 11.846 1.00 0.00 C ATOM 0 H VAL A 51 11.478 12.864 14.269 1.00 0.00 H new ATOM 0 HA VAL A 51 12.574 13.234 11.693 1.00 0.00 H new ATOM 0 HB VAL A 51 10.130 14.174 13.115 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.124 14.675 10.867 1.00 0.00 H new ATOM 0 HG12 VAL A 51 10.498 15.738 11.255 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.714 14.381 10.123 1.00 0.00 H new ATOM 0 HG21 VAL A 51 8.981 12.457 11.636 1.00 0.00 H new ATOM 0 HG22 VAL A 51 10.572 12.021 10.967 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.217 11.725 12.686 1.00 0.00 H new ATOM 833 N ASN A 52 12.653 15.907 13.657 1.00 0.00 N ATOM 834 CA ASN A 52 13.269 17.232 13.774 1.00 0.00 C ATOM 835 C ASN A 52 14.790 17.158 13.585 1.00 0.00 C ATOM 836 O ASN A 52 15.342 17.907 12.775 1.00 0.00 O ATOM 837 CB ASN A 52 12.855 17.912 15.098 1.00 0.00 C ATOM 838 CG ASN A 52 14.024 18.423 15.943 1.00 0.00 C ATOM 839 OD1 ASN A 52 14.561 19.501 15.706 1.00 0.00 O ATOM 840 ND2 ASN A 52 14.455 17.656 16.933 1.00 0.00 N ATOM 0 H ASN A 52 12.172 15.597 14.501 1.00 0.00 H new ATOM 0 HA ASN A 52 12.895 17.863 12.968 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.195 18.749 14.871 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.278 17.202 15.691 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.241 17.959 17.508 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.001 16.762 17.121 1.00 0.00 H new ATOM 847 N GLU A 53 15.483 16.256 14.286 1.00 0.00 N ATOM 848 CA GLU A 53 16.941 16.184 14.169 1.00 0.00 C ATOM 849 C GLU A 53 17.343 15.552 12.832 1.00 0.00 C ATOM 850 O GLU A 53 18.333 15.965 12.232 1.00 0.00 O ATOM 851 CB GLU A 53 17.586 15.489 15.383 1.00 0.00 C ATOM 852 CG GLU A 53 17.148 14.034 15.600 1.00 0.00 C ATOM 853 CD GLU A 53 17.944 13.351 16.731 1.00 0.00 C ATOM 854 OE1 GLU A 53 19.120 12.974 16.493 1.00 0.00 O ATOM 855 OE2 GLU A 53 17.390 13.143 17.838 1.00 0.00 O ATOM 0 H GLU A 53 15.069 15.579 14.927 1.00 0.00 H new ATOM 0 HA GLU A 53 17.334 17.201 14.175 1.00 0.00 H new ATOM 0 HB2 GLU A 53 18.669 15.514 15.265 1.00 0.00 H new ATOM 0 HB3 GLU A 53 17.350 16.062 16.280 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.085 14.008 15.839 1.00 0.00 H new ATOM 0 HG3 GLU A 53 17.281 13.474 14.674 1.00 0.00 H new ATOM 862 N PHE A 54 16.560 14.597 12.323 1.00 0.00 N ATOM 863 CA PHE A 54 16.763 13.988 11.014 1.00 0.00 C ATOM 864 C PHE A 54 16.661 15.047 9.919 1.00 0.00 C ATOM 865 O PHE A 54 17.554 15.146 9.078 1.00 0.00 O ATOM 866 CB PHE A 54 15.730 12.872 10.808 1.00 0.00 C ATOM 867 CG PHE A 54 15.753 12.269 9.423 1.00 0.00 C ATOM 868 CD1 PHE A 54 14.975 12.840 8.398 1.00 0.00 C ATOM 869 CD2 PHE A 54 16.584 11.167 9.150 1.00 0.00 C ATOM 870 CE1 PHE A 54 15.054 12.331 7.094 1.00 0.00 C ATOM 871 CE2 PHE A 54 16.650 10.651 7.846 1.00 0.00 C ATOM 872 CZ PHE A 54 15.889 11.238 6.818 1.00 0.00 C ATOM 0 H PHE A 54 15.753 14.221 12.822 1.00 0.00 H new ATOM 0 HA PHE A 54 17.761 13.552 10.961 1.00 0.00 H new ATOM 0 HB2 PHE A 54 15.909 12.085 11.540 1.00 0.00 H new ATOM 0 HB3 PHE A 54 14.735 13.270 11.004 1.00 0.00 H new ATOM 0 HD1 PHE A 54 14.318 13.669 8.616 1.00 0.00 H new ATOM 0 HD2 PHE A 54 17.169 10.720 9.940 1.00 0.00 H new ATOM 0 HE1 PHE A 54 14.472 12.780 6.303 1.00 0.00 H new ATOM 0 HE2 PHE A 54 17.285 9.804 7.632 1.00 0.00 H new ATOM 0 HZ PHE A 54 15.948 10.846 5.813 1.00 0.00 H new ATOM 882 N ARG A 55 15.609 15.873 9.949 1.00 0.00 N ATOM 883 CA ARG A 55 15.429 16.967 9.005 1.00 0.00 C ATOM 884 C ARG A 55 16.686 17.819 9.016 1.00 0.00 C ATOM 885 O ARG A 55 17.245 18.035 7.950 1.00 0.00 O ATOM 886 CB ARG A 55 14.138 17.748 9.336 1.00 0.00 C ATOM 887 CG ARG A 55 13.997 19.118 8.630 1.00 0.00 C ATOM 888 CD ARG A 55 13.663 20.280 9.584 1.00 0.00 C ATOM 889 NE ARG A 55 14.570 20.362 10.750 1.00 0.00 N ATOM 890 CZ ARG A 55 14.305 20.997 11.902 1.00 0.00 C ATOM 891 NH1 ARG A 55 13.356 21.910 11.994 1.00 0.00 N ATOM 892 NH2 ARG A 55 14.984 20.707 13.001 1.00 0.00 N ATOM 0 H ARG A 55 14.858 15.796 10.635 1.00 0.00 H new ATOM 0 HA ARG A 55 15.294 16.598 7.988 1.00 0.00 H new ATOM 0 HB2 ARG A 55 13.280 17.130 9.070 1.00 0.00 H new ATOM 0 HB3 ARG A 55 14.094 17.906 10.414 1.00 0.00 H new ATOM 0 HG2 ARG A 55 14.927 19.345 8.109 1.00 0.00 H new ATOM 0 HG3 ARG A 55 13.216 19.047 7.873 1.00 0.00 H new ATOM 0 HD2 ARG A 55 13.708 21.218 9.031 1.00 0.00 H new ATOM 0 HD3 ARG A 55 12.638 20.167 9.937 1.00 0.00 H new ATOM 0 HE ARG A 55 15.474 19.896 10.671 1.00 0.00 H new ATOM 0 HH11 ARG A 55 12.799 22.151 11.174 1.00 0.00 H new ATOM 0 HH12 ARG A 55 13.180 22.374 12.885 1.00 0.00 H new ATOM 0 HH21 ARG A 55 15.715 19.996 12.976 1.00 0.00 H new ATOM 0 HH22 ARG A 55 14.776 21.195 13.872 1.00 0.00 H new ATOM 906 N ASP A 56 17.160 18.260 10.184 1.00 0.00 N ATOM 907 CA ASP A 56 18.341 19.126 10.250 1.00 0.00 C ATOM 908 C ASP A 56 19.573 18.442 9.645 1.00 0.00 C ATOM 909 O ASP A 56 20.246 19.026 8.789 1.00 0.00 O ATOM 910 CB ASP A 56 18.629 19.550 11.693 1.00 0.00 C ATOM 911 CG ASP A 56 19.895 20.424 11.749 1.00 0.00 C ATOM 912 OD1 ASP A 56 19.831 21.605 11.333 1.00 0.00 O ATOM 913 OD2 ASP A 56 20.951 19.940 12.222 1.00 0.00 O ATOM 0 H ASP A 56 16.749 18.034 11.090 1.00 0.00 H new ATOM 0 HA ASP A 56 18.123 20.017 9.661 1.00 0.00 H new ATOM 0 HB2 ASP A 56 17.779 20.103 12.094 1.00 0.00 H new ATOM 0 HB3 ASP A 56 18.760 18.668 12.320 1.00 0.00 H new ATOM 918 N LYS A 57 19.833 17.190 10.041 1.00 0.00 N ATOM 919 CA LYS A 57 20.998 16.424 9.598 1.00 0.00 C ATOM 920 C LYS A 57 21.001 16.179 8.087 1.00 0.00 C ATOM 921 O LYS A 57 22.088 16.125 7.502 1.00 0.00 O ATOM 922 CB LYS A 57 21.067 15.082 10.353 1.00 0.00 C ATOM 923 CG LYS A 57 21.587 15.239 11.793 1.00 0.00 C ATOM 924 CD LYS A 57 21.626 13.916 12.581 1.00 0.00 C ATOM 925 CE LYS A 57 20.217 13.410 12.929 1.00 0.00 C ATOM 926 NZ LYS A 57 20.232 12.223 13.824 1.00 0.00 N ATOM 0 H LYS A 57 19.232 16.677 10.686 1.00 0.00 H new ATOM 0 HA LYS A 57 21.881 17.021 9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 57 20.075 14.631 10.376 1.00 0.00 H new ATOM 0 HB3 LYS A 57 21.716 14.396 9.809 1.00 0.00 H new ATOM 0 HG2 LYS A 57 22.590 15.665 11.764 1.00 0.00 H new ATOM 0 HG3 LYS A 57 20.954 15.950 12.324 1.00 0.00 H new ATOM 0 HD2 LYS A 57 22.148 13.160 11.994 1.00 0.00 H new ATOM 0 HD3 LYS A 57 22.197 14.057 13.499 1.00 0.00 H new ATOM 0 HE2 LYS A 57 19.656 14.213 13.408 1.00 0.00 H new ATOM 0 HE3 LYS A 57 19.690 13.158 12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 19.934 11.382 13.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 21.194 12.077 14.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 19.578 12.379 14.618 1.00 0.00 H new ATOM 940 N TYR A 58 19.833 16.038 7.447 1.00 0.00 N ATOM 941 CA TYR A 58 19.752 15.490 6.094 1.00 0.00 C ATOM 942 C TYR A 58 19.093 16.422 5.078 1.00 0.00 C ATOM 943 O TYR A 58 19.169 16.097 3.897 1.00 0.00 O ATOM 944 CB TYR A 58 19.111 14.089 6.127 1.00 0.00 C ATOM 945 CG TYR A 58 19.947 13.078 6.898 1.00 0.00 C ATOM 946 CD1 TYR A 58 21.151 12.592 6.350 1.00 0.00 C ATOM 947 CD2 TYR A 58 19.565 12.678 8.191 1.00 0.00 C ATOM 948 CE1 TYR A 58 21.988 11.753 7.109 1.00 0.00 C ATOM 949 CE2 TYR A 58 20.402 11.857 8.964 1.00 0.00 C ATOM 950 CZ TYR A 58 21.631 11.407 8.432 1.00 0.00 C ATOM 951 OH TYR A 58 22.485 10.658 9.190 1.00 0.00 O ATOM 0 H TYR A 58 18.932 16.297 7.848 1.00 0.00 H new ATOM 0 HA TYR A 58 20.775 15.392 5.730 1.00 0.00 H new ATOM 0 HB2 TYR A 58 18.122 14.157 6.580 1.00 0.00 H new ATOM 0 HB3 TYR A 58 18.970 13.734 5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 58 21.432 12.865 5.344 1.00 0.00 H new ATOM 0 HD2 TYR A 58 18.618 13.006 8.594 1.00 0.00 H new ATOM 0 HE1 TYR A 58 22.904 11.373 6.680 1.00 0.00 H new ATOM 0 HE2 TYR A 58 20.107 11.570 9.963 1.00 0.00 H new ATOM 0 HH TYR A 58 22.091 10.508 10.075 1.00 0.00 H new ATOM 961 N GLN A 59 18.533 17.583 5.451 1.00 0.00 N ATOM 962 CA GLN A 59 17.871 18.478 4.489 1.00 0.00 C ATOM 963 C GLN A 59 18.768 18.900 3.311 1.00 0.00 C ATOM 964 O GLN A 59 18.264 19.156 2.216 1.00 0.00 O ATOM 965 CB GLN A 59 17.202 19.698 5.166 1.00 0.00 C ATOM 966 CG GLN A 59 18.003 20.568 6.161 1.00 0.00 C ATOM 967 CD GLN A 59 19.341 21.102 5.657 1.00 0.00 C ATOM 968 OE1 GLN A 59 19.405 21.854 4.686 1.00 0.00 O ATOM 969 NE2 GLN A 59 20.436 20.735 6.313 1.00 0.00 N ATOM 0 H GLN A 59 18.525 17.924 6.412 1.00 0.00 H new ATOM 0 HA GLN A 59 17.074 17.874 4.056 1.00 0.00 H new ATOM 0 HB2 GLN A 59 16.849 20.356 4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 59 16.320 19.333 5.692 1.00 0.00 H new ATOM 0 HG2 GLN A 59 17.383 21.416 6.453 1.00 0.00 H new ATOM 0 HG3 GLN A 59 18.185 19.981 7.061 1.00 0.00 H new ATOM 0 HE21 GLN A 59 20.364 20.111 7.116 1.00 0.00 H new ATOM 0 HE22 GLN A 59 21.349 21.078 6.014 1.00 0.00 H new ATOM 978 N ASP A 60 20.091 18.944 3.506 1.00 0.00 N ATOM 979 CA ASP A 60 21.051 19.340 2.470 1.00 0.00 C ATOM 980 C ASP A 60 21.353 18.192 1.491 1.00 0.00 C ATOM 981 O ASP A 60 21.959 18.405 0.440 1.00 0.00 O ATOM 982 CB ASP A 60 22.344 19.820 3.143 1.00 0.00 C ATOM 983 CG ASP A 60 23.366 20.361 2.128 1.00 0.00 C ATOM 984 OD1 ASP A 60 23.078 21.385 1.459 1.00 0.00 O ATOM 985 OD2 ASP A 60 24.487 19.803 2.037 1.00 0.00 O ATOM 0 H ASP A 60 20.529 18.704 4.395 1.00 0.00 H new ATOM 0 HA ASP A 60 20.610 20.148 1.886 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.106 20.600 3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 60 22.789 18.995 3.699 1.00 0.00 H new ATOM 990 N GLN A 61 20.916 16.971 1.821 1.00 0.00 N ATOM 991 CA GLN A 61 21.356 15.725 1.197 1.00 0.00 C ATOM 992 C GLN A 61 20.166 14.896 0.697 1.00 0.00 C ATOM 993 O GLN A 61 20.320 14.104 -0.231 1.00 0.00 O ATOM 994 CB GLN A 61 22.166 14.905 2.222 1.00 0.00 C ATOM 995 CG GLN A 61 23.362 15.661 2.826 1.00 0.00 C ATOM 996 CD GLN A 61 24.206 14.750 3.721 1.00 0.00 C ATOM 997 OE1 GLN A 61 25.034 13.977 3.239 1.00 0.00 O ATOM 998 NE2 GLN A 61 24.030 14.804 5.036 1.00 0.00 N ATOM 0 H GLN A 61 20.223 16.822 2.555 1.00 0.00 H new ATOM 0 HA GLN A 61 21.977 15.972 0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 61 21.502 14.593 3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 61 22.529 13.998 1.740 1.00 0.00 H new ATOM 0 HG2 GLN A 61 23.983 16.062 2.025 1.00 0.00 H new ATOM 0 HG3 GLN A 61 23.002 16.511 3.406 1.00 0.00 H new ATOM 0 HE21 GLN A 61 23.343 15.445 5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 61 24.582 14.204 5.649 1.00 0.00 H new ATOM 1007 N LEU A 62 18.983 15.082 1.285 1.00 0.00 N ATOM 1008 CA LEU A 62 17.763 14.335 1.022 1.00 0.00 C ATOM 1009 C LEU A 62 16.588 15.264 1.336 1.00 0.00 C ATOM 1010 O LEU A 62 16.650 16.078 2.258 1.00 0.00 O ATOM 1011 CB LEU A 62 17.780 13.049 1.876 1.00 0.00 C ATOM 1012 CG LEU A 62 16.400 12.418 2.159 1.00 0.00 C ATOM 1013 CD1 LEU A 62 16.462 10.889 2.157 1.00 0.00 C ATOM 1014 CD2 LEU A 62 15.888 12.876 3.530 1.00 0.00 C ATOM 0 H LEU A 62 18.849 15.800 1.997 1.00 0.00 H new ATOM 0 HA LEU A 62 17.672 14.017 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.402 12.308 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 62 18.259 13.273 2.829 1.00 0.00 H new ATOM 0 HG LEU A 62 15.728 12.744 1.365 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.470 10.484 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.804 10.540 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.156 10.552 2.927 1.00 0.00 H new ATOM 0 HD21 LEU A 62 14.914 12.427 3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 62 16.591 12.565 4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 62 15.795 13.962 3.540 1.00 0.00 H new ATOM 1026 N ASN A 63 15.527 15.176 0.538 1.00 0.00 N ATOM 1027 CA ASN A 63 14.290 15.917 0.751 1.00 0.00 C ATOM 1028 C ASN A 63 13.498 15.245 1.865 1.00 0.00 C ATOM 1029 O ASN A 63 13.502 14.018 1.957 1.00 0.00 O ATOM 1030 CB ASN A 63 13.422 15.879 -0.511 1.00 0.00 C ATOM 1031 CG ASN A 63 14.139 16.350 -1.768 1.00 0.00 C ATOM 1032 OD1 ASN A 63 14.649 17.467 -1.830 1.00 0.00 O ATOM 1033 ND2 ASN A 63 14.201 15.506 -2.781 1.00 0.00 N ATOM 0 H ASN A 63 15.504 14.578 -0.288 1.00 0.00 H new ATOM 0 HA ASN A 63 14.541 16.947 1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 63 13.069 14.860 -0.667 1.00 0.00 H new ATOM 0 HB3 ASN A 63 12.541 16.501 -0.353 1.00 0.00 H new ATOM 0 HD21 ASN A 63 14.680 15.775 -3.640 1.00 0.00 H new ATOM 0 HD22 ASN A 63 13.770 14.585 -2.704 1.00 0.00 H new ATOM 1040 N VAL A 64 12.714 16.005 2.624 1.00 0.00 N ATOM 1041 CA VAL A 64 11.801 15.452 3.622 1.00 0.00 C ATOM 1042 C VAL A 64 10.414 16.006 3.301 1.00 0.00 C ATOM 1043 O VAL A 64 10.279 17.168 2.911 1.00 0.00 O ATOM 1044 CB VAL A 64 12.271 15.795 5.056 1.00 0.00 C ATOM 1045 CG1 VAL A 64 11.558 14.911 6.093 1.00 0.00 C ATOM 1046 CG2 VAL A 64 13.783 15.609 5.263 1.00 0.00 C ATOM 0 H VAL A 64 12.693 17.023 2.565 1.00 0.00 H new ATOM 0 HA VAL A 64 11.778 14.363 3.584 1.00 0.00 H new ATOM 0 HB VAL A 64 12.023 16.848 5.191 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.905 15.171 7.093 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.482 15.071 6.029 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.781 13.863 5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 64 14.044 15.867 6.289 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.052 14.570 5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 64 14.327 16.258 4.576 1.00 0.00 H new ATOM 1056 N VAL A 65 9.385 15.182 3.464 1.00 0.00 N ATOM 1057 CA VAL A 65 7.982 15.559 3.375 1.00 0.00 C ATOM 1058 C VAL A 65 7.215 14.565 4.255 1.00 0.00 C ATOM 1059 O VAL A 65 7.712 13.464 4.525 1.00 0.00 O ATOM 1060 CB VAL A 65 7.539 15.598 1.888 1.00 0.00 C ATOM 1061 CG1 VAL A 65 7.847 14.301 1.124 1.00 0.00 C ATOM 1062 CG2 VAL A 65 6.054 15.937 1.696 1.00 0.00 C ATOM 0 H VAL A 65 9.513 14.191 3.670 1.00 0.00 H new ATOM 0 HA VAL A 65 7.779 16.565 3.743 1.00 0.00 H new ATOM 0 HB VAL A 65 8.139 16.406 1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.511 14.398 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.921 14.116 1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 65 7.328 13.468 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.817 15.946 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.442 15.187 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.847 16.919 2.122 1.00 0.00 H new ATOM 1072 N ALA A 66 6.020 14.929 4.720 1.00 0.00 N ATOM 1073 CA ALA A 66 5.202 14.062 5.556 1.00 0.00 C ATOM 1074 C ALA A 66 3.738 14.122 5.136 1.00 0.00 C ATOM 1075 O ALA A 66 3.306 15.069 4.475 1.00 0.00 O ATOM 1076 CB ALA A 66 5.358 14.460 7.026 1.00 0.00 C ATOM 0 H ALA A 66 5.595 15.835 4.525 1.00 0.00 H new ATOM 0 HA ALA A 66 5.543 13.034 5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.744 13.808 7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 66 6.403 14.362 7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.039 15.494 7.159 1.00 0.00 H new ATOM 1082 N VAL A 67 2.964 13.135 5.578 1.00 0.00 N ATOM 1083 CA VAL A 67 1.545 13.015 5.287 1.00 0.00 C ATOM 1084 C VAL A 67 0.889 12.624 6.604 1.00 0.00 C ATOM 1085 O VAL A 67 1.266 11.616 7.207 1.00 0.00 O ATOM 1086 CB VAL A 67 1.307 11.967 4.179 1.00 0.00 C ATOM 1087 CG1 VAL A 67 -0.160 11.967 3.730 1.00 0.00 C ATOM 1088 CG2 VAL A 67 2.223 12.193 2.963 1.00 0.00 C ATOM 0 H VAL A 67 3.319 12.379 6.163 1.00 0.00 H new ATOM 0 HA VAL A 67 1.119 13.944 4.909 1.00 0.00 H new ATOM 0 HB VAL A 67 1.550 10.995 4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.301 11.220 2.949 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.800 11.730 4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.422 12.951 3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.021 11.433 2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.033 13.181 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.265 12.126 3.275 1.00 0.00 H new ATOM 1098 N HIS A 68 -0.048 13.434 7.093 1.00 0.00 N ATOM 1099 CA HIS A 68 -0.795 13.056 8.280 1.00 0.00 C ATOM 1100 C HIS A 68 -1.900 12.090 7.857 1.00 0.00 C ATOM 1101 O HIS A 68 -2.620 12.365 6.891 1.00 0.00 O ATOM 1102 CB HIS A 68 -1.365 14.286 8.992 1.00 0.00 C ATOM 1103 CG HIS A 68 -1.352 14.092 10.481 1.00 0.00 C ATOM 1104 ND1 HIS A 68 -0.235 14.199 11.267 1.00 0.00 N ATOM 1105 CD2 HIS A 68 -2.386 13.708 11.296 1.00 0.00 C ATOM 1106 CE1 HIS A 68 -0.576 13.889 12.520 1.00 0.00 C ATOM 1107 NE2 HIS A 68 -1.887 13.600 12.603 1.00 0.00 N ATOM 0 H HIS A 68 -0.301 14.337 6.692 1.00 0.00 H new ATOM 0 HA HIS A 68 -0.134 12.566 8.995 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.780 15.167 8.730 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.385 14.468 8.653 1.00 0.00 H new ATOM 0 HD1 HIS A 68 0.696 14.469 10.950 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -3.404 13.522 10.987 1.00 0.00 H new ATOM 0 HE1 HIS A 68 0.109 13.872 13.355 1.00 0.00 H new ATOM 1115 N MET A 69 -2.051 10.982 8.580 1.00 0.00 N ATOM 1116 CA MET A 69 -3.181 10.078 8.430 1.00 0.00 C ATOM 1117 C MET A 69 -4.214 10.486 9.488 1.00 0.00 C ATOM 1118 O MET A 69 -3.944 10.284 10.678 1.00 0.00 O ATOM 1119 CB MET A 69 -2.727 8.617 8.612 1.00 0.00 C ATOM 1120 CG MET A 69 -3.908 7.649 8.464 1.00 0.00 C ATOM 1121 SD MET A 69 -3.511 5.905 8.761 1.00 0.00 S ATOM 1122 CE MET A 69 -5.138 5.186 8.399 1.00 0.00 C ATOM 0 H MET A 69 -1.384 10.687 9.293 1.00 0.00 H new ATOM 0 HA MET A 69 -3.617 10.145 7.433 1.00 0.00 H new ATOM 0 HB2 MET A 69 -1.961 8.376 7.875 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.273 8.494 9.595 1.00 0.00 H new ATOM 0 HG2 MET A 69 -4.694 7.950 9.156 1.00 0.00 H new ATOM 0 HG3 MET A 69 -4.315 7.747 7.458 1.00 0.00 H new ATOM 0 HE1 MET A 69 -5.095 4.105 8.528 1.00 0.00 H new ATOM 0 HE2 MET A 69 -5.880 5.603 9.080 1.00 0.00 H new ATOM 0 HE3 MET A 69 -5.418 5.418 7.371 1.00 0.00 H new ATOM 1132 N PRO A 70 -5.377 11.052 9.113 1.00 0.00 N ATOM 1133 CA PRO A 70 -6.494 11.142 10.035 1.00 0.00 C ATOM 1134 C PRO A 70 -6.981 9.710 10.306 1.00 0.00 C ATOM 1135 O PRO A 70 -7.292 8.955 9.376 1.00 0.00 O ATOM 1136 CB PRO A 70 -7.534 12.033 9.354 1.00 0.00 C ATOM 1137 CG PRO A 70 -7.273 11.807 7.867 1.00 0.00 C ATOM 1138 CD PRO A 70 -5.773 11.509 7.787 1.00 0.00 C ATOM 0 HA PRO A 70 -6.251 11.582 11.002 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.549 11.750 9.631 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.408 13.080 9.630 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.865 10.977 7.481 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.536 12.686 7.279 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.567 10.747 7.035 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.214 12.400 7.499 1.00 0.00 H new ATOM 1146 N ARG A 71 -7.016 9.318 11.577 1.00 0.00 N ATOM 1147 CA ARG A 71 -7.236 7.952 12.033 1.00 0.00 C ATOM 1148 C ARG A 71 -8.161 7.929 13.252 1.00 0.00 C ATOM 1149 O ARG A 71 -8.964 6.996 13.360 1.00 0.00 O ATOM 1150 CB ARG A 71 -5.868 7.321 12.363 1.00 0.00 C ATOM 1151 CG ARG A 71 -5.970 5.839 12.753 1.00 0.00 C ATOM 1152 CD ARG A 71 -4.598 5.243 13.080 1.00 0.00 C ATOM 1153 NE ARG A 71 -4.732 3.827 13.477 1.00 0.00 N ATOM 1154 CZ ARG A 71 -4.169 3.215 14.530 1.00 0.00 C ATOM 1155 NH1 ARG A 71 -3.327 3.859 15.336 1.00 0.00 N ATOM 1156 NH2 ARG A 71 -4.457 1.940 14.780 1.00 0.00 N ATOM 0 H ARG A 71 -6.886 9.973 12.348 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.724 7.374 11.248 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.211 7.419 11.499 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.406 7.875 13.180 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.627 5.734 13.616 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.425 5.278 11.936 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -3.944 5.323 12.212 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.131 5.810 13.885 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.322 3.246 12.881 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -3.099 4.837 15.158 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.910 3.374 16.131 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.102 1.434 14.173 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.033 1.468 15.579 1.00 0.00 H new ATOM 1170 N SER A 72 -8.111 8.940 14.123 1.00 0.00 N ATOM 1171 CA SER A 72 -8.815 8.939 15.402 1.00 0.00 C ATOM 1172 C SER A 72 -9.269 10.357 15.755 1.00 0.00 C ATOM 1173 O SER A 72 -8.760 11.338 15.215 1.00 0.00 O ATOM 1174 CB SER A 72 -7.883 8.389 16.495 1.00 0.00 C ATOM 1175 OG SER A 72 -7.336 7.116 16.155 1.00 0.00 O ATOM 0 H SER A 72 -7.574 9.791 13.955 1.00 0.00 H new ATOM 0 HA SER A 72 -9.698 8.304 15.329 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.071 9.096 16.666 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.435 8.306 17.431 1.00 0.00 H new ATOM 0 HG SER A 72 -6.750 6.808 16.878 1.00 0.00 H new ATOM 1181 N GLU A 73 -10.212 10.489 16.691 1.00 0.00 N ATOM 1182 CA GLU A 73 -10.809 11.775 17.062 1.00 0.00 C ATOM 1183 C GLU A 73 -9.765 12.793 17.550 1.00 0.00 C ATOM 1184 O GLU A 73 -9.992 14.001 17.452 1.00 0.00 O ATOM 1185 CB GLU A 73 -11.881 11.559 18.142 1.00 0.00 C ATOM 1186 CG GLU A 73 -13.135 10.862 17.595 1.00 0.00 C ATOM 1187 CD GLU A 73 -14.166 10.609 18.711 1.00 0.00 C ATOM 1188 OE1 GLU A 73 -14.885 11.559 19.111 1.00 0.00 O ATOM 1189 OE2 GLU A 73 -14.279 9.454 19.191 1.00 0.00 O ATOM 0 H GLU A 73 -10.586 9.700 17.217 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.264 12.192 16.164 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.461 10.962 18.952 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -12.161 12.522 18.569 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.584 11.476 16.815 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.855 9.915 17.134 1.00 0.00 H new ATOM 1196 N ASP A 74 -8.618 12.331 18.062 1.00 0.00 N ATOM 1197 CA ASP A 74 -7.572 13.214 18.582 1.00 0.00 C ATOM 1198 C ASP A 74 -6.648 13.765 17.484 1.00 0.00 C ATOM 1199 O ASP A 74 -5.879 14.687 17.748 1.00 0.00 O ATOM 1200 CB ASP A 74 -6.773 12.509 19.684 1.00 0.00 C ATOM 1201 CG ASP A 74 -5.932 13.512 20.497 1.00 0.00 C ATOM 1202 OD1 ASP A 74 -6.504 14.506 21.012 1.00 0.00 O ATOM 1203 OD2 ASP A 74 -4.717 13.273 20.697 1.00 0.00 O ATOM 0 H ASP A 74 -8.391 11.339 18.127 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.074 14.080 19.013 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.456 11.981 20.349 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.119 11.760 19.239 1.00 0.00 H new ATOM 1208 N ASP A 75 -6.754 13.267 16.244 1.00 0.00 N ATOM 1209 CA ASP A 75 -5.970 13.699 15.073 1.00 0.00 C ATOM 1210 C ASP A 75 -6.861 14.074 13.877 1.00 0.00 C ATOM 1211 O ASP A 75 -6.378 14.581 12.862 1.00 0.00 O ATOM 1212 CB ASP A 75 -4.915 12.649 14.684 1.00 0.00 C ATOM 1213 CG ASP A 75 -5.478 11.307 14.200 1.00 0.00 C ATOM 1214 OD1 ASP A 75 -6.425 11.277 13.389 1.00 0.00 O ATOM 1215 OD2 ASP A 75 -4.960 10.261 14.657 1.00 0.00 O ATOM 0 H ASP A 75 -7.414 12.523 16.018 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.442 14.607 15.366 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.284 13.065 13.898 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.273 12.466 15.545 1.00 0.00 H new ATOM 1220 N LEU A 76 -8.175 13.900 14.036 1.00 0.00 N ATOM 1221 CA LEU A 76 -9.251 14.259 13.122 1.00 0.00 C ATOM 1222 C LEU A 76 -9.254 15.743 12.725 1.00 0.00 C ATOM 1223 O LEU A 76 -9.830 16.081 11.690 1.00 0.00 O ATOM 1224 CB LEU A 76 -10.559 13.878 13.844 1.00 0.00 C ATOM 1225 CG LEU A 76 -11.891 14.284 13.186 1.00 0.00 C ATOM 1226 CD1 LEU A 76 -12.109 13.596 11.834 1.00 0.00 C ATOM 1227 CD2 LEU A 76 -13.040 13.917 14.135 1.00 0.00 C ATOM 0 H LEU A 76 -8.540 13.466 14.884 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.125 13.727 12.179 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.566 12.796 13.973 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -10.531 14.318 14.841 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.862 15.358 13.002 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -13.062 13.916 11.412 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.302 13.867 11.154 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.119 12.515 11.973 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -13.990 14.199 13.682 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -13.031 12.843 14.319 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.916 14.448 15.079 1.00 0.00 H new ATOM 1239 N ASP A 77 -8.645 16.631 13.514 1.00 0.00 N ATOM 1240 CA ASP A 77 -8.789 18.080 13.366 1.00 0.00 C ATOM 1241 C ASP A 77 -7.430 18.725 13.061 1.00 0.00 C ATOM 1242 O ASP A 77 -6.471 18.488 13.802 1.00 0.00 O ATOM 1243 CB ASP A 77 -9.391 18.668 14.645 1.00 0.00 C ATOM 1244 CG ASP A 77 -9.545 20.190 14.511 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -8.582 20.927 14.824 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -10.628 20.649 14.075 1.00 0.00 O ATOM 0 H ASP A 77 -8.031 16.360 14.282 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.457 18.290 12.531 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -10.362 18.213 14.840 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.752 18.434 15.497 1.00 0.00 H new ATOM 1251 N PRO A 78 -7.305 19.532 11.989 1.00 0.00 N ATOM 1252 CA PRO A 78 -6.015 20.049 11.552 1.00 0.00 C ATOM 1253 C PRO A 78 -5.435 21.121 12.477 1.00 0.00 C ATOM 1254 O PRO A 78 -4.221 21.315 12.463 1.00 0.00 O ATOM 1255 CB PRO A 78 -6.241 20.584 10.137 1.00 0.00 C ATOM 1256 CG PRO A 78 -7.718 20.969 10.131 1.00 0.00 C ATOM 1257 CD PRO A 78 -8.347 19.923 11.050 1.00 0.00 C ATOM 0 HA PRO A 78 -5.268 19.255 11.576 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.602 21.442 9.926 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -6.020 19.829 9.383 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.873 21.981 10.505 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.141 20.932 9.127 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -9.210 20.333 11.574 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -8.700 19.064 10.479 1.00 0.00 H new ATOM 1265 N GLY A 79 -6.243 21.786 13.307 1.00 0.00 N ATOM 1266 CA GLY A 79 -5.738 22.717 14.308 1.00 0.00 C ATOM 1267 C GLY A 79 -4.892 21.973 15.341 1.00 0.00 C ATOM 1268 O GLY A 79 -3.814 22.442 15.713 1.00 0.00 O ATOM 0 H GLY A 79 -7.259 21.692 13.301 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.140 23.491 13.827 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.570 23.218 14.802 1.00 0.00 H new ATOM 1272 N LYS A 80 -5.326 20.772 15.747 1.00 0.00 N ATOM 1273 CA LYS A 80 -4.541 19.922 16.639 1.00 0.00 C ATOM 1274 C LYS A 80 -3.233 19.514 15.963 1.00 0.00 C ATOM 1275 O LYS A 80 -2.183 19.577 16.604 1.00 0.00 O ATOM 1276 CB LYS A 80 -5.332 18.676 17.070 1.00 0.00 C ATOM 1277 CG LYS A 80 -6.660 18.997 17.771 1.00 0.00 C ATOM 1278 CD LYS A 80 -7.299 17.715 18.322 1.00 0.00 C ATOM 1279 CE LYS A 80 -8.641 18.029 19.000 1.00 0.00 C ATOM 1280 NZ LYS A 80 -9.038 16.984 19.979 1.00 0.00 N ATOM 0 H LYS A 80 -6.221 20.370 15.468 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.314 20.498 17.536 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.534 18.064 16.191 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.714 18.078 17.740 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.488 19.703 18.583 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -7.342 19.478 17.069 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -7.452 17.002 17.512 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.625 17.245 19.038 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.573 18.991 19.507 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.416 18.124 18.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.949 17.240 20.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.130 16.069 19.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.313 16.910 20.721 1.00 0.00 H new ATOM 1294 N ILE A 81 -3.278 19.133 14.679 1.00 0.00 N ATOM 1295 CA ILE A 81 -2.077 18.772 13.923 1.00 0.00 C ATOM 1296 C ILE A 81 -1.116 19.969 13.927 1.00 0.00 C ATOM 1297 O ILE A 81 0.052 19.798 14.268 1.00 0.00 O ATOM 1298 CB ILE A 81 -2.417 18.286 12.486 1.00 0.00 C ATOM 1299 CG1 ILE A 81 -3.373 17.068 12.508 1.00 0.00 C ATOM 1300 CG2 ILE A 81 -1.127 17.921 11.720 1.00 0.00 C ATOM 1301 CD1 ILE A 81 -3.899 16.652 11.125 1.00 0.00 C ATOM 0 H ILE A 81 -4.142 19.068 14.141 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.587 17.925 14.404 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.921 19.106 11.975 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.853 16.221 12.956 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.221 17.298 13.152 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.383 17.583 10.716 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.483 18.798 11.654 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -0.603 17.125 12.248 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.561 15.792 11.231 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.450 17.481 10.681 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.060 16.387 10.481 1.00 0.00 H new ATOM 1313 N LYS A 82 -1.598 21.176 13.602 1.00 0.00 N ATOM 1314 CA LYS A 82 -0.791 22.395 13.531 1.00 0.00 C ATOM 1315 C LYS A 82 -0.089 22.637 14.864 1.00 0.00 C ATOM 1316 O LYS A 82 1.129 22.809 14.899 1.00 0.00 O ATOM 1317 CB LYS A 82 -1.712 23.576 13.142 1.00 0.00 C ATOM 1318 CG LYS A 82 -1.056 24.838 12.554 1.00 0.00 C ATOM 1319 CD LYS A 82 0.119 25.439 13.340 1.00 0.00 C ATOM 1320 CE LYS A 82 0.383 26.873 12.851 1.00 0.00 C ATOM 1321 NZ LYS A 82 1.794 27.300 13.041 1.00 0.00 N ATOM 0 H LYS A 82 -2.581 21.332 13.377 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.015 22.294 12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -2.439 23.209 12.418 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -2.269 23.872 14.031 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -0.707 24.602 11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.824 25.604 12.453 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -0.107 25.443 14.406 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.011 24.827 13.205 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.127 26.944 11.794 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.274 27.560 13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.912 28.273 12.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.035 27.261 14.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.423 26.664 12.510 1.00 0.00 H new ATOM 1335 N GLU A 83 -0.848 22.653 15.957 1.00 0.00 N ATOM 1336 CA GLU A 83 -0.329 23.042 17.260 1.00 0.00 C ATOM 1337 C GLU A 83 0.706 22.020 17.751 1.00 0.00 C ATOM 1338 O GLU A 83 1.765 22.402 18.251 1.00 0.00 O ATOM 1339 CB GLU A 83 -1.510 23.216 18.226 1.00 0.00 C ATOM 1340 CG GLU A 83 -1.095 23.907 19.532 1.00 0.00 C ATOM 1341 CD GLU A 83 -2.323 24.311 20.370 1.00 0.00 C ATOM 1342 OE1 GLU A 83 -2.979 23.424 20.969 1.00 0.00 O ATOM 1343 OE2 GLU A 83 -2.634 25.526 20.452 1.00 0.00 O ATOM 0 H GLU A 83 -1.835 22.397 15.962 1.00 0.00 H new ATOM 0 HA GLU A 83 0.196 23.995 17.198 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.291 23.801 17.740 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.938 22.240 18.454 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -0.460 23.238 20.113 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -0.501 24.792 19.304 1.00 0.00 H new ATOM 1350 N THR A 84 0.445 20.725 17.553 1.00 0.00 N ATOM 1351 CA THR A 84 1.374 19.667 17.928 1.00 0.00 C ATOM 1352 C THR A 84 2.630 19.700 17.036 1.00 0.00 C ATOM 1353 O THR A 84 3.745 19.567 17.546 1.00 0.00 O ATOM 1354 CB THR A 84 0.617 18.327 17.882 1.00 0.00 C ATOM 1355 OG1 THR A 84 -0.459 18.343 18.811 1.00 0.00 O ATOM 1356 CG2 THR A 84 1.500 17.130 18.233 1.00 0.00 C ATOM 0 H THR A 84 -0.418 20.385 17.128 1.00 0.00 H new ATOM 0 HA THR A 84 1.742 19.811 18.944 1.00 0.00 H new ATOM 0 HB THR A 84 0.266 18.217 16.856 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.259 18.707 18.378 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.909 16.215 18.183 1.00 0.00 H new ATOM 0 HG22 THR A 84 2.326 17.068 17.525 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.895 17.252 19.242 1.00 0.00 H new ATOM 1364 N ALA A 85 2.486 19.937 15.725 1.00 0.00 N ATOM 1365 CA ALA A 85 3.609 20.035 14.800 1.00 0.00 C ATOM 1366 C ALA A 85 4.561 21.159 15.216 1.00 0.00 C ATOM 1367 O ALA A 85 5.779 20.968 15.208 1.00 0.00 O ATOM 1368 CB ALA A 85 3.093 20.282 13.376 1.00 0.00 C ATOM 0 H ALA A 85 1.578 20.066 15.279 1.00 0.00 H new ATOM 0 HA ALA A 85 4.159 19.094 14.825 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.937 20.354 12.690 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.450 19.456 13.074 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.525 21.212 13.351 1.00 0.00 H new ATOM 1374 N ALA A 86 4.011 22.315 15.603 1.00 0.00 N ATOM 1375 CA ALA A 86 4.801 23.474 15.996 1.00 0.00 C ATOM 1376 C ALA A 86 5.713 23.152 17.189 1.00 0.00 C ATOM 1377 O ALA A 86 6.861 23.601 17.224 1.00 0.00 O ATOM 1378 CB ALA A 86 3.866 24.644 16.322 1.00 0.00 C ATOM 0 H ALA A 86 3.004 22.468 15.651 1.00 0.00 H new ATOM 0 HA ALA A 86 5.447 23.754 15.164 1.00 0.00 H new ATOM 0 HB1 ALA A 86 4.457 25.511 16.616 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.272 24.891 15.442 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.203 24.363 17.140 1.00 0.00 H new ATOM 1384 N GLU A 87 5.228 22.360 18.150 1.00 0.00 N ATOM 1385 CA GLU A 87 5.992 21.990 19.340 1.00 0.00 C ATOM 1386 C GLU A 87 7.100 20.977 19.013 1.00 0.00 C ATOM 1387 O GLU A 87 8.144 20.977 19.670 1.00 0.00 O ATOM 1388 CB GLU A 87 5.045 21.420 20.411 1.00 0.00 C ATOM 1389 CG GLU A 87 4.137 22.484 21.048 1.00 0.00 C ATOM 1390 CD GLU A 87 4.921 23.455 21.951 1.00 0.00 C ATOM 1391 OE1 GLU A 87 5.127 23.143 23.150 1.00 0.00 O ATOM 1392 OE2 GLU A 87 5.327 24.546 21.480 1.00 0.00 O ATOM 0 H GLU A 87 4.291 21.957 18.122 1.00 0.00 H new ATOM 0 HA GLU A 87 6.475 22.889 19.723 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.425 20.645 19.962 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.637 20.942 21.192 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.634 23.048 20.262 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.361 21.992 21.634 1.00 0.00 H new ATOM 1399 N HIS A 88 6.900 20.129 17.998 1.00 0.00 N ATOM 1400 CA HIS A 88 7.855 19.098 17.593 1.00 0.00 C ATOM 1401 C HIS A 88 8.976 19.637 16.683 1.00 0.00 C ATOM 1402 O HIS A 88 9.874 18.877 16.318 1.00 0.00 O ATOM 1403 CB HIS A 88 7.096 17.941 16.924 1.00 0.00 C ATOM 1404 CG HIS A 88 6.192 17.165 17.858 1.00 0.00 C ATOM 1405 ND1 HIS A 88 6.471 16.780 19.155 1.00 0.00 N ATOM 1406 CD2 HIS A 88 4.995 16.589 17.524 1.00 0.00 C ATOM 1407 CE1 HIS A 88 5.464 16.001 19.586 1.00 0.00 C ATOM 1408 NE2 HIS A 88 4.539 15.845 18.623 1.00 0.00 N ATOM 0 H HIS A 88 6.055 20.142 17.427 1.00 0.00 H new ATOM 0 HA HIS A 88 8.358 18.736 18.490 1.00 0.00 H new ATOM 0 HB2 HIS A 88 6.497 18.340 16.106 1.00 0.00 H new ATOM 0 HB3 HIS A 88 7.819 17.254 16.484 1.00 0.00 H new ATOM 0 HD2 HIS A 88 4.488 16.690 16.576 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.406 15.561 20.571 1.00 0.00 H new ATOM 0 HE2 HIS A 88 3.680 15.297 18.680 1.00 0.00 H new ATOM 1416 N ASP A 89 8.950 20.930 16.333 1.00 0.00 N ATOM 1417 CA ASP A 89 9.891 21.601 15.422 1.00 0.00 C ATOM 1418 C ASP A 89 10.009 20.905 14.056 1.00 0.00 C ATOM 1419 O ASP A 89 11.049 20.960 13.403 1.00 0.00 O ATOM 1420 CB ASP A 89 11.262 21.840 16.090 1.00 0.00 C ATOM 1421 CG ASP A 89 12.121 22.848 15.292 1.00 0.00 C ATOM 1422 OD1 ASP A 89 11.741 24.043 15.234 1.00 0.00 O ATOM 1423 OD2 ASP A 89 13.193 22.476 14.750 1.00 0.00 O ATOM 0 H ASP A 89 8.240 21.567 16.693 1.00 0.00 H new ATOM 0 HA ASP A 89 9.467 22.582 15.209 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.113 22.212 17.104 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.796 20.893 16.173 1.00 0.00 H new ATOM 1428 N ILE A 90 8.961 20.218 13.598 1.00 0.00 N ATOM 1429 CA ILE A 90 8.936 19.682 12.241 1.00 0.00 C ATOM 1430 C ILE A 90 8.680 20.860 11.286 1.00 0.00 C ATOM 1431 O ILE A 90 7.685 21.576 11.439 1.00 0.00 O ATOM 1432 CB ILE A 90 7.931 18.512 12.135 1.00 0.00 C ATOM 1433 CG1 ILE A 90 6.461 18.939 12.327 1.00 0.00 C ATOM 1434 CG2 ILE A 90 8.366 17.387 13.097 1.00 0.00 C ATOM 1435 CD1 ILE A 90 5.471 17.780 12.421 1.00 0.00 C ATOM 0 H ILE A 90 8.123 20.022 14.146 1.00 0.00 H new ATOM 0 HA ILE A 90 9.888 19.234 11.955 1.00 0.00 H new ATOM 0 HB ILE A 90 7.957 18.131 11.114 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.386 19.539 13.234 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.171 19.581 11.495 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.662 16.557 13.029 1.00 0.00 H new ATOM 0 HG22 ILE A 90 9.363 17.041 12.825 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.381 17.767 14.118 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.463 18.172 12.555 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.512 17.191 11.505 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.730 17.148 13.270 1.00 0.00 H new ATOM 1447 N THR A 91 9.578 21.089 10.321 1.00 0.00 N ATOM 1448 CA THR A 91 9.505 22.235 9.407 1.00 0.00 C ATOM 1449 C THR A 91 9.564 21.811 7.930 1.00 0.00 C ATOM 1450 O THR A 91 9.480 22.664 7.041 1.00 0.00 O ATOM 1451 CB THR A 91 10.554 23.301 9.768 1.00 0.00 C ATOM 1452 OG1 THR A 91 11.855 22.752 9.744 1.00 0.00 O ATOM 1453 CG2 THR A 91 10.333 23.896 11.162 1.00 0.00 C ATOM 0 H THR A 91 10.380 20.482 10.151 1.00 0.00 H new ATOM 0 HA THR A 91 8.527 22.697 9.538 1.00 0.00 H new ATOM 0 HB THR A 91 10.446 24.087 9.021 1.00 0.00 H new ATOM 0 HG1 THR A 91 12.515 23.472 9.816 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.101 24.642 11.365 1.00 0.00 H new ATOM 0 HG22 THR A 91 9.350 24.366 11.206 1.00 0.00 H new ATOM 0 HG23 THR A 91 10.390 23.104 11.909 1.00 0.00 H new ATOM 1461 N GLN A 92 9.668 20.507 7.644 1.00 0.00 N ATOM 1462 CA GLN A 92 9.456 19.969 6.305 1.00 0.00 C ATOM 1463 C GLN A 92 8.018 20.273 5.851 1.00 0.00 C ATOM 1464 O GLN A 92 7.150 20.436 6.713 1.00 0.00 O ATOM 1465 CB GLN A 92 9.760 18.455 6.274 1.00 0.00 C ATOM 1466 CG GLN A 92 8.744 17.505 6.945 1.00 0.00 C ATOM 1467 CD GLN A 92 8.876 17.372 8.463 1.00 0.00 C ATOM 1468 OE1 GLN A 92 9.571 18.132 9.134 1.00 0.00 O ATOM 1469 NE2 GLN A 92 8.210 16.392 9.049 1.00 0.00 N ATOM 0 H GLN A 92 9.902 19.799 8.340 1.00 0.00 H new ATOM 0 HA GLN A 92 10.142 20.448 5.607 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.862 18.155 5.231 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.729 18.298 6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.738 17.854 6.714 1.00 0.00 H new ATOM 0 HG3 GLN A 92 8.848 16.516 6.500 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.634 15.762 8.491 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.272 16.266 10.059 1.00 0.00 H new ATOM 1478 N PRO A 93 7.720 20.300 4.541 1.00 0.00 N ATOM 1479 CA PRO A 93 6.345 20.340 4.064 1.00 0.00 C ATOM 1480 C PRO A 93 5.562 19.122 4.569 1.00 0.00 C ATOM 1481 O PRO A 93 6.082 18.003 4.592 1.00 0.00 O ATOM 1482 CB PRO A 93 6.419 20.397 2.534 1.00 0.00 C ATOM 1483 CG PRO A 93 7.868 20.068 2.171 1.00 0.00 C ATOM 1484 CD PRO A 93 8.670 20.325 3.442 1.00 0.00 C ATOM 0 HA PRO A 93 5.810 21.211 4.443 1.00 0.00 H new ATOM 0 HB2 PRO A 93 5.731 19.682 2.083 1.00 0.00 H new ATOM 0 HB3 PRO A 93 6.139 21.384 2.166 1.00 0.00 H new ATOM 0 HG2 PRO A 93 7.967 19.032 1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.220 20.694 1.351 1.00 0.00 H new ATOM 0 HD2 PRO A 93 9.439 19.564 3.576 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.180 21.287 3.391 1.00 0.00 H new ATOM 1492 N ILE A 94 4.304 19.329 4.950 1.00 0.00 N ATOM 1493 CA ILE A 94 3.396 18.295 5.436 1.00 0.00 C ATOM 1494 C ILE A 94 2.039 18.602 4.815 1.00 0.00 C ATOM 1495 O ILE A 94 1.674 19.774 4.707 1.00 0.00 O ATOM 1496 CB ILE A 94 3.307 18.302 6.985 1.00 0.00 C ATOM 1497 CG1 ILE A 94 4.708 18.253 7.634 1.00 0.00 C ATOM 1498 CG2 ILE A 94 2.365 17.191 7.501 1.00 0.00 C ATOM 1499 CD1 ILE A 94 4.749 18.083 9.152 1.00 0.00 C ATOM 0 H ILE A 94 3.874 20.254 4.928 1.00 0.00 H new ATOM 0 HA ILE A 94 3.750 17.303 5.156 1.00 0.00 H new ATOM 0 HB ILE A 94 2.862 19.249 7.291 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.265 17.431 7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 94 5.235 19.173 7.379 1.00 0.00 H new ATOM 0 HG21 ILE A 94 2.326 17.224 8.590 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.365 17.345 7.097 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.740 16.219 7.181 1.00 0.00 H new ATOM 0 HD11 ILE A 94 5.786 18.063 9.488 1.00 0.00 H new ATOM 0 HD12 ILE A 94 4.230 18.916 9.626 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.260 17.148 9.427 1.00 0.00 H new ATOM 1511 N PHE A 95 1.258 17.579 4.475 1.00 0.00 N ATOM 1512 CA PHE A 95 -0.126 17.759 4.059 1.00 0.00 C ATOM 1513 C PHE A 95 -1.036 16.735 4.733 1.00 0.00 C ATOM 1514 O PHE A 95 -0.591 15.704 5.245 1.00 0.00 O ATOM 1515 CB PHE A 95 -0.234 17.783 2.524 1.00 0.00 C ATOM 1516 CG PHE A 95 0.427 16.636 1.779 1.00 0.00 C ATOM 1517 CD1 PHE A 95 -0.221 15.392 1.675 1.00 0.00 C ATOM 1518 CD2 PHE A 95 1.678 16.823 1.156 1.00 0.00 C ATOM 1519 CE1 PHE A 95 0.377 14.349 0.949 1.00 0.00 C ATOM 1520 CE2 PHE A 95 2.272 15.777 0.426 1.00 0.00 C ATOM 1521 CZ PHE A 95 1.618 14.538 0.318 1.00 0.00 C ATOM 0 H PHE A 95 1.567 16.607 4.481 1.00 0.00 H new ATOM 0 HA PHE A 95 -0.481 18.733 4.397 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.291 17.799 2.257 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.200 18.717 2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.177 15.239 2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.183 17.774 1.240 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -0.121 13.394 0.875 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.230 15.926 -0.051 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.067 13.735 -0.247 1.00 0.00 H new ATOM 1531 N VAL A 96 -2.327 17.052 4.736 1.00 0.00 N ATOM 1532 CA VAL A 96 -3.416 16.277 5.304 1.00 0.00 C ATOM 1533 C VAL A 96 -4.434 16.212 4.169 1.00 0.00 C ATOM 1534 O VAL A 96 -4.663 17.215 3.484 1.00 0.00 O ATOM 1535 CB VAL A 96 -3.991 16.985 6.558 1.00 0.00 C ATOM 1536 CG1 VAL A 96 -4.929 16.046 7.332 1.00 0.00 C ATOM 1537 CG2 VAL A 96 -2.915 17.520 7.520 1.00 0.00 C ATOM 0 H VAL A 96 -2.659 17.918 4.311 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.115 15.286 5.645 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.540 17.846 6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.321 16.564 8.208 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.756 15.746 6.688 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.377 15.162 7.650 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.395 18.001 8.372 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.297 16.693 7.871 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.289 18.245 6.999 1.00 0.00 H new ATOM 1547 N ASP A 97 -5.045 15.056 3.935 1.00 0.00 N ATOM 1548 CA ASP A 97 -5.855 14.850 2.743 1.00 0.00 C ATOM 1549 C ASP A 97 -7.131 14.105 3.095 1.00 0.00 C ATOM 1550 O ASP A 97 -7.078 12.967 3.558 1.00 0.00 O ATOM 1551 CB ASP A 97 -5.056 14.081 1.692 1.00 0.00 C ATOM 1552 CG ASP A 97 -5.853 13.949 0.384 1.00 0.00 C ATOM 1553 OD1 ASP A 97 -6.826 14.709 0.168 1.00 0.00 O ATOM 1554 OD2 ASP A 97 -5.497 13.065 -0.423 1.00 0.00 O ATOM 0 H ASP A 97 -4.994 14.248 4.556 1.00 0.00 H new ATOM 0 HA ASP A 97 -6.128 15.821 2.330 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.114 14.594 1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -4.807 13.090 2.072 1.00 0.00 H new ATOM 1559 N SER A 98 -8.272 14.761 2.894 1.00 0.00 N ATOM 1560 CA SER A 98 -9.599 14.211 3.116 1.00 0.00 C ATOM 1561 C SER A 98 -10.008 13.233 2.002 1.00 0.00 C ATOM 1562 O SER A 98 -10.851 12.362 2.237 1.00 0.00 O ATOM 1563 CB SER A 98 -10.591 15.383 3.224 1.00 0.00 C ATOM 1564 OG SER A 98 -10.242 16.462 2.354 1.00 0.00 O ATOM 0 H SER A 98 -8.294 15.725 2.560 1.00 0.00 H new ATOM 0 HA SER A 98 -9.602 13.634 4.041 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.594 15.032 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.618 15.741 4.253 1.00 0.00 H new ATOM 0 HG SER A 98 -10.896 17.185 2.451 1.00 0.00 H new ATOM 1570 N ASP A 99 -9.426 13.347 0.800 1.00 0.00 N ATOM 1571 CA ASP A 99 -9.700 12.433 -0.316 1.00 0.00 C ATOM 1572 C ASP A 99 -8.879 11.143 -0.200 1.00 0.00 C ATOM 1573 O ASP A 99 -9.215 10.130 -0.820 1.00 0.00 O ATOM 1574 CB ASP A 99 -9.400 13.119 -1.655 1.00 0.00 C ATOM 1575 CG ASP A 99 -9.790 12.226 -2.847 1.00 0.00 C ATOM 1576 OD1 ASP A 99 -11.003 11.957 -3.031 1.00 0.00 O ATOM 1577 OD2 ASP A 99 -8.899 11.833 -3.637 1.00 0.00 O ATOM 0 H ASP A 99 -8.751 14.077 0.575 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.757 12.170 -0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.944 14.062 -1.712 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.338 13.360 -1.712 1.00 0.00 H new ATOM 1582 N HIS A 100 -7.835 11.164 0.638 1.00 0.00 N ATOM 1583 CA HIS A 100 -6.877 10.084 0.832 1.00 0.00 C ATOM 1584 C HIS A 100 -6.320 9.565 -0.510 1.00 0.00 C ATOM 1585 O HIS A 100 -6.348 8.363 -0.787 1.00 0.00 O ATOM 1586 CB HIS A 100 -7.486 8.970 1.701 1.00 0.00 C ATOM 1587 CG HIS A 100 -8.149 9.395 2.987 1.00 0.00 C ATOM 1588 ND1 HIS A 100 -9.452 9.129 3.350 1.00 0.00 N ATOM 1589 CD2 HIS A 100 -7.547 9.996 4.060 1.00 0.00 C ATOM 1590 CE1 HIS A 100 -9.633 9.571 4.606 1.00 0.00 C ATOM 1591 NE2 HIS A 100 -8.497 10.110 5.085 1.00 0.00 N ATOM 0 H HIS A 100 -7.632 11.974 1.223 1.00 0.00 H new ATOM 0 HA HIS A 100 -6.019 10.479 1.375 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -8.222 8.435 1.101 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -6.696 8.260 1.945 1.00 0.00 H new ATOM 0 HD1 HIS A 100 -10.156 8.676 2.767 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -6.519 10.325 4.108 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -10.561 9.503 5.154 1.00 0.00 H new ATOM 1599 N ALA A 101 -5.826 10.467 -1.364 1.00 0.00 N ATOM 1600 CA ALA A 101 -5.290 10.137 -2.679 1.00 0.00 C ATOM 1601 C ALA A 101 -4.146 9.122 -2.591 1.00 0.00 C ATOM 1602 O ALA A 101 -4.066 8.221 -3.427 1.00 0.00 O ATOM 1603 CB ALA A 101 -4.811 11.411 -3.385 1.00 0.00 C ATOM 0 H ALA A 101 -5.789 11.464 -1.152 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.092 9.679 -3.258 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.412 11.155 -4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.648 12.099 -3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.031 11.886 -2.789 1.00 0.00 H new ATOM 1609 N LEU A 102 -3.275 9.225 -1.577 1.00 0.00 N ATOM 1610 CA LEU A 102 -2.190 8.258 -1.410 1.00 0.00 C ATOM 1611 C LEU A 102 -2.755 6.897 -1.015 1.00 0.00 C ATOM 1612 O LEU A 102 -2.215 5.885 -1.442 1.00 0.00 O ATOM 1613 CB LEU A 102 -1.118 8.708 -0.400 1.00 0.00 C ATOM 1614 CG LEU A 102 -0.230 9.865 -0.906 1.00 0.00 C ATOM 1615 CD1 LEU A 102 -0.881 11.231 -0.666 1.00 0.00 C ATOM 1616 CD2 LEU A 102 1.126 9.842 -0.197 1.00 0.00 C ATOM 0 H LEU A 102 -3.302 9.960 -0.870 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.689 8.184 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.609 9.016 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.484 7.856 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.101 9.721 -1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.224 12.018 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.834 11.277 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.049 11.371 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.742 10.663 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.977 9.951 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.626 8.895 -0.399 1.00 0.00 H new ATOM 1628 N THR A 103 -3.856 6.830 -0.269 1.00 0.00 N ATOM 1629 CA THR A 103 -4.498 5.570 0.098 1.00 0.00 C ATOM 1630 C THR A 103 -5.112 4.863 -1.126 1.00 0.00 C ATOM 1631 O THR A 103 -5.345 3.657 -1.071 1.00 0.00 O ATOM 1632 CB THR A 103 -5.508 5.825 1.235 1.00 0.00 C ATOM 1633 OG1 THR A 103 -4.867 6.619 2.226 1.00 0.00 O ATOM 1634 CG2 THR A 103 -6.020 4.544 1.904 1.00 0.00 C ATOM 0 H THR A 103 -4.331 7.654 0.100 1.00 0.00 H new ATOM 0 HA THR A 103 -3.748 4.875 0.474 1.00 0.00 H new ATOM 0 HB THR A 103 -6.372 6.321 0.792 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.431 6.662 3.026 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.726 4.803 2.693 1.00 0.00 H new ATOM 0 HG22 THR A 103 -6.518 3.920 1.162 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.180 3.997 2.333 1.00 0.00 H new ATOM 1642 N ASP A 104 -5.315 5.544 -2.260 1.00 0.00 N ATOM 1643 CA ASP A 104 -5.703 4.869 -3.503 1.00 0.00 C ATOM 1644 C ASP A 104 -4.517 4.126 -4.141 1.00 0.00 C ATOM 1645 O ASP A 104 -4.719 3.119 -4.825 1.00 0.00 O ATOM 1646 CB ASP A 104 -6.293 5.870 -4.503 1.00 0.00 C ATOM 1647 CG ASP A 104 -6.781 5.156 -5.775 1.00 0.00 C ATOM 1648 OD1 ASP A 104 -7.816 4.447 -5.714 1.00 0.00 O ATOM 1649 OD2 ASP A 104 -6.159 5.330 -6.852 1.00 0.00 O ATOM 0 H ASP A 104 -5.218 6.556 -2.342 1.00 0.00 H new ATOM 0 HA ASP A 104 -6.464 4.132 -3.246 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.123 6.405 -4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -5.541 6.614 -4.765 1.00 0.00 H new ATOM 1654 N ALA A 105 -3.280 4.586 -3.897 1.00 0.00 N ATOM 1655 CA ALA A 105 -2.077 4.098 -4.572 1.00 0.00 C ATOM 1656 C ALA A 105 -1.224 3.208 -3.655 1.00 0.00 C ATOM 1657 O ALA A 105 -0.854 2.096 -4.038 1.00 0.00 O ATOM 1658 CB ALA A 105 -1.267 5.306 -5.068 1.00 0.00 C ATOM 0 H ALA A 105 -3.089 5.319 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 105 -2.376 3.477 -5.417 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -0.367 4.957 -5.574 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -1.871 5.888 -5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -0.988 5.930 -4.219 1.00 0.00 H new ATOM 1664 N PHE A 106 -0.917 3.686 -2.446 1.00 0.00 N ATOM 1665 CA PHE A 106 -0.136 2.979 -1.435 1.00 0.00 C ATOM 1666 C PHE A 106 -1.010 1.980 -0.662 1.00 0.00 C ATOM 1667 O PHE A 106 -0.492 1.001 -0.122 1.00 0.00 O ATOM 1668 CB PHE A 106 0.439 3.979 -0.414 1.00 0.00 C ATOM 1669 CG PHE A 106 1.621 4.859 -0.797 1.00 0.00 C ATOM 1670 CD1 PHE A 106 1.918 5.203 -2.130 1.00 0.00 C ATOM 1671 CD2 PHE A 106 2.473 5.318 0.228 1.00 0.00 C ATOM 1672 CE1 PHE A 106 3.054 5.979 -2.412 1.00 0.00 C ATOM 1673 CE2 PHE A 106 3.578 6.138 -0.055 1.00 0.00 C ATOM 1674 CZ PHE A 106 3.866 6.478 -1.383 1.00 0.00 C ATOM 0 H PHE A 106 -1.218 4.610 -2.136 1.00 0.00 H new ATOM 0 HA PHE A 106 0.664 2.450 -1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -0.374 4.640 -0.114 1.00 0.00 H new ATOM 0 HB3 PHE A 106 0.730 3.410 0.469 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.275 4.871 -2.932 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.272 5.034 1.250 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.307 6.195 -3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 106 4.202 6.504 0.747 1.00 0.00 H new ATOM 0 HZ PHE A 106 4.705 7.118 -1.612 1.00 0.00 H new ATOM 1684 N GLU A 107 -2.325 2.228 -0.595 1.00 0.00 N ATOM 1685 CA GLU A 107 -3.271 1.516 0.269 1.00 0.00 C ATOM 1686 C GLU A 107 -2.864 1.586 1.757 1.00 0.00 C ATOM 1687 O GLU A 107 -2.875 0.589 2.485 1.00 0.00 O ATOM 1688 CB GLU A 107 -3.582 0.120 -0.305 1.00 0.00 C ATOM 1689 CG GLU A 107 -5.038 -0.283 -0.032 1.00 0.00 C ATOM 1690 CD GLU A 107 -5.374 -1.645 -0.665 1.00 0.00 C ATOM 1691 OE1 GLU A 107 -5.186 -2.693 0.000 1.00 0.00 O ATOM 1692 OE2 GLU A 107 -5.849 -1.681 -1.828 1.00 0.00 O ATOM 0 H GLU A 107 -2.771 2.952 -1.158 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.234 2.026 0.267 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -3.397 0.116 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -2.910 -0.615 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -5.209 -0.328 1.044 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -5.708 0.479 -0.429 1.00 0.00 H new ATOM 1699 N ASN A 108 -2.493 2.801 2.191 1.00 0.00 N ATOM 1700 CA ASN A 108 -2.210 3.192 3.575 1.00 0.00 C ATOM 1701 C ASN A 108 -3.184 2.578 4.586 1.00 0.00 C ATOM 1702 O ASN A 108 -4.392 2.815 4.512 1.00 0.00 O ATOM 1703 CB ASN A 108 -2.234 4.725 3.689 1.00 0.00 C ATOM 1704 CG ASN A 108 -2.473 5.230 5.113 1.00 0.00 C ATOM 1705 OD1 ASN A 108 -3.475 5.886 5.381 1.00 0.00 O ATOM 1706 ND2 ASN A 108 -1.581 4.945 6.055 1.00 0.00 N ATOM 0 H ASN A 108 -2.377 3.581 1.544 1.00 0.00 H new ATOM 0 HA ASN A 108 -1.221 2.806 3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -1.286 5.123 3.326 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -3.015 5.117 3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -1.726 5.272 7.010 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -0.751 4.399 5.823 1.00 0.00 H new ATOM 1713 N GLU A 109 -2.642 1.843 5.562 1.00 0.00 N ATOM 1714 CA GLU A 109 -3.387 1.286 6.691 1.00 0.00 C ATOM 1715 C GLU A 109 -2.414 1.008 7.859 1.00 0.00 C ATOM 1716 O GLU A 109 -2.486 -0.023 8.532 1.00 0.00 O ATOM 1717 CB GLU A 109 -4.164 0.039 6.213 1.00 0.00 C ATOM 1718 CG GLU A 109 -5.349 -0.294 7.132 1.00 0.00 C ATOM 1719 CD GLU A 109 -6.285 -1.330 6.485 1.00 0.00 C ATOM 1720 OE1 GLU A 109 -5.939 -2.537 6.452 1.00 0.00 O ATOM 1721 OE2 GLU A 109 -7.389 -0.951 6.020 1.00 0.00 O ATOM 0 H GLU A 109 -1.648 1.614 5.588 1.00 0.00 H new ATOM 0 HA GLU A 109 -4.127 1.991 7.070 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -4.528 0.207 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.488 -0.815 6.172 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -4.978 -0.679 8.082 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -5.907 0.616 7.353 1.00 0.00 H new ATOM 1728 N TYR A 110 -1.432 1.896 8.049 1.00 0.00 N ATOM 1729 CA TYR A 110 -0.282 1.712 8.934 1.00 0.00 C ATOM 1730 C TYR A 110 0.214 3.089 9.385 1.00 0.00 C ATOM 1731 O TYR A 110 0.130 4.053 8.619 1.00 0.00 O ATOM 1732 CB TYR A 110 0.828 0.948 8.180 1.00 0.00 C ATOM 1733 CG TYR A 110 1.030 1.375 6.732 1.00 0.00 C ATOM 1734 CD1 TYR A 110 1.677 2.588 6.438 1.00 0.00 C ATOM 1735 CD2 TYR A 110 0.511 0.591 5.682 1.00 0.00 C ATOM 1736 CE1 TYR A 110 1.798 3.033 5.114 1.00 0.00 C ATOM 1737 CE2 TYR A 110 0.618 1.032 4.352 1.00 0.00 C ATOM 1738 CZ TYR A 110 1.255 2.260 4.067 1.00 0.00 C ATOM 1739 OH TYR A 110 1.298 2.716 2.789 1.00 0.00 O ATOM 0 H TYR A 110 -1.418 2.797 7.571 1.00 0.00 H new ATOM 0 HA TYR A 110 -0.564 1.130 9.811 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.768 1.079 8.717 1.00 0.00 H new ATOM 0 HB3 TYR A 110 0.595 -0.117 8.201 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.085 3.184 7.241 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.030 -0.351 5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 110 2.304 3.962 4.897 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.214 0.433 3.549 1.00 0.00 H new ATOM 0 HH TYR A 110 0.881 2.059 2.193 1.00 0.00 H new ATOM 1749 N VAL A 111 0.738 3.181 10.610 1.00 0.00 N ATOM 1750 CA VAL A 111 1.382 4.374 11.164 1.00 0.00 C ATOM 1751 C VAL A 111 2.182 3.976 12.423 1.00 0.00 C ATOM 1752 O VAL A 111 1.730 3.083 13.150 1.00 0.00 O ATOM 1753 CB VAL A 111 0.356 5.484 11.537 1.00 0.00 C ATOM 1754 CG1 VAL A 111 0.494 6.676 10.582 1.00 0.00 C ATOM 1755 CG2 VAL A 111 -1.122 5.061 11.606 1.00 0.00 C ATOM 0 H VAL A 111 0.725 2.400 11.266 1.00 0.00 H new ATOM 0 HA VAL A 111 2.040 4.782 10.397 1.00 0.00 H new ATOM 0 HB VAL A 111 0.621 5.748 12.561 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -0.229 7.445 10.853 1.00 0.00 H new ATOM 0 HG12 VAL A 111 1.502 7.084 10.653 1.00 0.00 H new ATOM 0 HG13 VAL A 111 0.307 6.347 9.560 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -1.735 5.922 11.875 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.437 4.680 10.635 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.243 4.281 12.358 1.00 0.00 H new ATOM 1765 N PRO A 112 3.308 4.648 12.738 1.00 0.00 N ATOM 1766 CA PRO A 112 4.109 5.440 11.810 1.00 0.00 C ATOM 1767 C PRO A 112 4.726 4.533 10.738 1.00 0.00 C ATOM 1768 O PRO A 112 4.959 3.344 10.982 1.00 0.00 O ATOM 1769 CB PRO A 112 5.203 6.099 12.654 1.00 0.00 C ATOM 1770 CG PRO A 112 5.375 5.143 13.832 1.00 0.00 C ATOM 1771 CD PRO A 112 3.980 4.547 14.027 1.00 0.00 C ATOM 0 HA PRO A 112 3.506 6.186 11.292 1.00 0.00 H new ATOM 0 HB2 PRO A 112 6.130 6.212 12.091 1.00 0.00 H new ATOM 0 HB3 PRO A 112 4.908 7.095 12.986 1.00 0.00 H new ATOM 0 HG2 PRO A 112 6.113 4.371 13.616 1.00 0.00 H new ATOM 0 HG3 PRO A 112 5.714 5.667 14.726 1.00 0.00 H new ATOM 0 HD2 PRO A 112 4.043 3.509 14.352 1.00 0.00 H new ATOM 0 HD3 PRO A 112 3.430 5.089 14.796 1.00 0.00 H new ATOM 1779 N ALA A 113 5.016 5.090 9.561 1.00 0.00 N ATOM 1780 CA ALA A 113 5.713 4.384 8.492 1.00 0.00 C ATOM 1781 C ALA A 113 6.509 5.360 7.640 1.00 0.00 C ATOM 1782 O ALA A 113 6.249 6.565 7.658 1.00 0.00 O ATOM 1783 CB ALA A 113 4.717 3.620 7.618 1.00 0.00 C ATOM 0 H ALA A 113 4.771 6.051 9.324 1.00 0.00 H new ATOM 0 HA ALA A 113 6.402 3.671 8.946 1.00 0.00 H new ATOM 0 HB1 ALA A 113 5.254 3.099 6.825 1.00 0.00 H new ATOM 0 HB2 ALA A 113 4.178 2.895 8.229 1.00 0.00 H new ATOM 0 HB3 ALA A 113 4.008 4.321 7.176 1.00 0.00 H new ATOM 1789 N TYR A 114 7.466 4.827 6.883 1.00 0.00 N ATOM 1790 CA TYR A 114 8.531 5.588 6.257 1.00 0.00 C ATOM 1791 C TYR A 114 8.832 4.940 4.908 1.00 0.00 C ATOM 1792 O TYR A 114 8.917 3.712 4.819 1.00 0.00 O ATOM 1793 CB TYR A 114 9.782 5.557 7.156 1.00 0.00 C ATOM 1794 CG TYR A 114 9.533 5.459 8.655 1.00 0.00 C ATOM 1795 CD1 TYR A 114 9.037 6.564 9.370 1.00 0.00 C ATOM 1796 CD2 TYR A 114 9.749 4.240 9.325 1.00 0.00 C ATOM 1797 CE1 TYR A 114 8.708 6.442 10.730 1.00 0.00 C ATOM 1798 CE2 TYR A 114 9.453 4.115 10.694 1.00 0.00 C ATOM 1799 CZ TYR A 114 8.913 5.216 11.400 1.00 0.00 C ATOM 1800 OH TYR A 114 8.578 5.120 12.718 1.00 0.00 O ATOM 0 H TYR A 114 7.518 3.827 6.687 1.00 0.00 H new ATOM 0 HA TYR A 114 8.236 6.628 6.116 1.00 0.00 H new ATOM 0 HB2 TYR A 114 10.398 4.710 6.855 1.00 0.00 H new ATOM 0 HB3 TYR A 114 10.364 6.459 6.964 1.00 0.00 H new ATOM 0 HD1 TYR A 114 8.908 7.513 8.870 1.00 0.00 H new ATOM 0 HD2 TYR A 114 10.145 3.394 8.783 1.00 0.00 H new ATOM 0 HE1 TYR A 114 8.298 7.287 11.264 1.00 0.00 H new ATOM 0 HE2 TYR A 114 9.637 3.182 11.205 1.00 0.00 H new ATOM 0 HH TYR A 114 9.393 5.105 13.262 1.00 0.00 H new ATOM 1810 N TYR A 115 9.007 5.758 3.873 1.00 0.00 N ATOM 1811 CA TYR A 115 9.184 5.342 2.490 1.00 0.00 C ATOM 1812 C TYR A 115 10.312 6.200 1.919 1.00 0.00 C ATOM 1813 O TYR A 115 10.227 7.431 1.949 1.00 0.00 O ATOM 1814 CB TYR A 115 7.868 5.545 1.716 1.00 0.00 C ATOM 1815 CG TYR A 115 6.791 4.500 1.961 1.00 0.00 C ATOM 1816 CD1 TYR A 115 6.035 4.492 3.151 1.00 0.00 C ATOM 1817 CD2 TYR A 115 6.545 3.517 0.986 1.00 0.00 C ATOM 1818 CE1 TYR A 115 5.090 3.475 3.386 1.00 0.00 C ATOM 1819 CE2 TYR A 115 5.614 2.495 1.217 1.00 0.00 C ATOM 1820 CZ TYR A 115 4.886 2.458 2.422 1.00 0.00 C ATOM 1821 OH TYR A 115 4.030 1.419 2.637 1.00 0.00 O ATOM 0 H TYR A 115 9.030 6.772 3.983 1.00 0.00 H new ATOM 0 HA TYR A 115 9.441 4.286 2.410 1.00 0.00 H new ATOM 0 HB2 TYR A 115 7.464 6.524 1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 115 8.094 5.564 0.650 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.181 5.270 3.886 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.080 3.550 0.048 1.00 0.00 H new ATOM 0 HE1 TYR A 115 4.520 3.471 4.303 1.00 0.00 H new ATOM 0 HE2 TYR A 115 5.454 1.733 0.468 1.00 0.00 H new ATOM 0 HH TYR A 115 3.137 1.768 2.842 1.00 0.00 H new ATOM 1831 N VAL A 116 11.384 5.569 1.441 1.00 0.00 N ATOM 1832 CA VAL A 116 12.624 6.246 1.057 1.00 0.00 C ATOM 1833 C VAL A 116 12.777 6.069 -0.453 1.00 0.00 C ATOM 1834 O VAL A 116 12.619 4.954 -0.949 1.00 0.00 O ATOM 1835 CB VAL A 116 13.824 5.665 1.845 1.00 0.00 C ATOM 1836 CG1 VAL A 116 15.059 6.568 1.697 1.00 0.00 C ATOM 1837 CG2 VAL A 116 13.543 5.516 3.350 1.00 0.00 C ATOM 0 H VAL A 116 11.417 4.558 1.307 1.00 0.00 H new ATOM 0 HA VAL A 116 12.593 7.308 1.299 1.00 0.00 H new ATOM 0 HB VAL A 116 14.000 4.677 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.891 6.142 2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 116 15.332 6.642 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 116 14.832 7.561 2.084 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.422 5.104 3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.311 6.492 3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 116 12.696 4.846 3.497 1.00 0.00 H new ATOM 1847 N PHE A 117 13.083 7.137 -1.190 1.00 0.00 N ATOM 1848 CA PHE A 117 13.078 7.148 -2.652 1.00 0.00 C ATOM 1849 C PHE A 117 14.410 7.698 -3.158 1.00 0.00 C ATOM 1850 O PHE A 117 14.977 8.607 -2.552 1.00 0.00 O ATOM 1851 CB PHE A 117 11.921 8.012 -3.184 1.00 0.00 C ATOM 1852 CG PHE A 117 10.516 7.583 -2.798 1.00 0.00 C ATOM 1853 CD1 PHE A 117 9.997 7.878 -1.525 1.00 0.00 C ATOM 1854 CD2 PHE A 117 9.694 6.928 -3.731 1.00 0.00 C ATOM 1855 CE1 PHE A 117 8.691 7.494 -1.187 1.00 0.00 C ATOM 1856 CE2 PHE A 117 8.382 6.555 -3.404 1.00 0.00 C ATOM 1857 CZ PHE A 117 7.885 6.829 -2.123 1.00 0.00 C ATOM 0 H PHE A 117 13.346 8.033 -0.780 1.00 0.00 H new ATOM 0 HA PHE A 117 12.940 6.129 -3.012 1.00 0.00 H new ATOM 0 HB2 PHE A 117 12.072 9.034 -2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 117 11.984 8.032 -4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 117 10.607 8.403 -0.804 1.00 0.00 H new ATOM 0 HD2 PHE A 117 10.079 6.708 -4.716 1.00 0.00 H new ATOM 0 HE1 PHE A 117 8.304 7.711 -0.202 1.00 0.00 H new ATOM 0 HE2 PHE A 117 7.759 6.060 -4.135 1.00 0.00 H new ATOM 0 HZ PHE A 117 6.882 6.529 -1.856 1.00 0.00 H new ATOM 1867 N ASP A 118 14.886 7.161 -4.280 1.00 0.00 N ATOM 1868 CA ASP A 118 16.046 7.656 -5.034 1.00 0.00 C ATOM 1869 C ASP A 118 15.683 8.971 -5.747 1.00 0.00 C ATOM 1870 O ASP A 118 14.503 9.317 -5.838 1.00 0.00 O ATOM 1871 CB ASP A 118 16.496 6.545 -6.000 1.00 0.00 C ATOM 1872 CG ASP A 118 17.152 7.062 -7.287 1.00 0.00 C ATOM 1873 OD1 ASP A 118 18.384 7.277 -7.300 1.00 0.00 O ATOM 1874 OD2 ASP A 118 16.409 7.280 -8.268 1.00 0.00 O ATOM 0 H ASP A 118 14.461 6.338 -4.708 1.00 0.00 H new ATOM 0 HA ASP A 118 16.882 7.889 -4.375 1.00 0.00 H new ATOM 0 HB2 ASP A 118 17.199 5.892 -5.483 1.00 0.00 H new ATOM 0 HB3 ASP A 118 15.631 5.936 -6.265 1.00 0.00 H new ATOM 1879 N LYS A 119 16.670 9.734 -6.236 1.00 0.00 N ATOM 1880 CA LYS A 119 16.440 11.061 -6.813 1.00 0.00 C ATOM 1881 C LYS A 119 15.557 11.096 -8.064 1.00 0.00 C ATOM 1882 O LYS A 119 15.159 12.200 -8.432 1.00 0.00 O ATOM 1883 CB LYS A 119 17.767 11.807 -7.058 1.00 0.00 C ATOM 1884 CG LYS A 119 18.684 11.160 -8.115 1.00 0.00 C ATOM 1885 CD LYS A 119 19.271 12.164 -9.122 1.00 0.00 C ATOM 1886 CE LYS A 119 18.265 12.478 -10.242 1.00 0.00 C ATOM 1887 NZ LYS A 119 18.835 13.386 -11.274 1.00 0.00 N ATOM 0 H LYS A 119 17.649 9.447 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 119 15.862 11.584 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 119 17.542 12.828 -7.367 1.00 0.00 H new ATOM 0 HB3 LYS A 119 18.311 11.872 -6.116 1.00 0.00 H new ATOM 0 HG2 LYS A 119 19.501 10.647 -7.609 1.00 0.00 H new ATOM 0 HG3 LYS A 119 18.119 10.402 -8.658 1.00 0.00 H new ATOM 0 HD2 LYS A 119 19.544 13.084 -8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 119 20.186 11.758 -9.554 1.00 0.00 H new ATOM 0 HE2 LYS A 119 17.948 11.548 -10.714 1.00 0.00 H new ATOM 0 HE3 LYS A 119 17.375 12.935 -9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 18.485 13.108 -12.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 18.546 14.365 -11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 19.873 13.321 -11.259 1.00 0.00 H new ATOM 1901 N THR A 120 15.246 9.979 -8.730 1.00 0.00 N ATOM 1902 CA THR A 120 14.262 9.976 -9.822 1.00 0.00 C ATOM 1903 C THR A 120 12.846 9.690 -9.290 1.00 0.00 C ATOM 1904 O THR A 120 11.870 9.759 -10.042 1.00 0.00 O ATOM 1905 CB THR A 120 14.663 8.999 -10.945 1.00 0.00 C ATOM 1906 OG1 THR A 120 14.485 7.652 -10.545 1.00 0.00 O ATOM 1907 CG2 THR A 120 16.113 9.197 -11.412 1.00 0.00 C ATOM 0 H THR A 120 15.659 9.067 -8.534 1.00 0.00 H new ATOM 0 HA THR A 120 14.250 10.974 -10.261 1.00 0.00 H new ATOM 0 HB THR A 120 14.002 9.222 -11.782 1.00 0.00 H new ATOM 0 HG1 THR A 120 14.746 7.056 -11.278 1.00 0.00 H new ATOM 0 HG21 THR A 120 16.341 8.483 -12.203 1.00 0.00 H new ATOM 0 HG22 THR A 120 16.238 10.211 -11.791 1.00 0.00 H new ATOM 0 HG23 THR A 120 16.790 9.038 -10.573 1.00 0.00 H new ATOM 1915 N GLY A 121 12.719 9.375 -7.996 1.00 0.00 N ATOM 1916 CA GLY A 121 11.459 9.155 -7.310 1.00 0.00 C ATOM 1917 C GLY A 121 11.019 7.703 -7.279 1.00 0.00 C ATOM 1918 O GLY A 121 9.848 7.456 -7.008 1.00 0.00 O ATOM 0 H GLY A 121 13.526 9.264 -7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 121 11.546 9.520 -6.286 1.00 0.00 H new ATOM 0 HA3 GLY A 121 10.684 9.749 -7.795 1.00 0.00 H new ATOM 1922 N GLN A 122 11.911 6.753 -7.563 1.00 0.00 N ATOM 1923 CA GLN A 122 11.624 5.330 -7.429 1.00 0.00 C ATOM 1924 C GLN A 122 11.826 4.909 -5.968 1.00 0.00 C ATOM 1925 O GLN A 122 12.841 5.250 -5.356 1.00 0.00 O ATOM 1926 CB GLN A 122 12.473 4.530 -8.434 1.00 0.00 C ATOM 1927 CG GLN A 122 13.987 4.619 -8.197 1.00 0.00 C ATOM 1928 CD GLN A 122 14.808 4.132 -9.392 1.00 0.00 C ATOM 1929 OE1 GLN A 122 14.635 3.013 -9.878 1.00 0.00 O ATOM 1930 NE2 GLN A 122 15.728 4.951 -9.880 1.00 0.00 N ATOM 0 H GLN A 122 12.855 6.953 -7.893 1.00 0.00 H new ATOM 0 HA GLN A 122 10.584 5.115 -7.675 1.00 0.00 H new ATOM 0 HB2 GLN A 122 12.172 3.483 -8.393 1.00 0.00 H new ATOM 0 HB3 GLN A 122 12.254 4.886 -9.441 1.00 0.00 H new ATOM 0 HG2 GLN A 122 14.255 5.652 -7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 122 14.247 4.028 -7.319 1.00 0.00 H new ATOM 0 HE21 GLN A 122 15.859 5.874 -9.467 1.00 0.00 H new ATOM 0 HE22 GLN A 122 16.305 4.658 -10.669 1.00 0.00 H new ATOM 1939 N LEU A 123 10.848 4.200 -5.400 1.00 0.00 N ATOM 1940 CA LEU A 123 10.841 3.722 -4.016 1.00 0.00 C ATOM 1941 C LEU A 123 11.988 2.730 -3.799 1.00 0.00 C ATOM 1942 O LEU A 123 12.015 1.688 -4.448 1.00 0.00 O ATOM 1943 CB LEU A 123 9.459 3.082 -3.765 1.00 0.00 C ATOM 1944 CG LEU A 123 9.241 2.443 -2.380 1.00 0.00 C ATOM 1945 CD1 LEU A 123 9.502 3.415 -1.230 1.00 0.00 C ATOM 1946 CD2 LEU A 123 7.799 1.935 -2.279 1.00 0.00 C ATOM 0 H LEU A 123 10.007 3.933 -5.911 1.00 0.00 H new ATOM 0 HA LEU A 123 10.998 4.535 -3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.697 3.847 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 123 9.294 2.317 -4.524 1.00 0.00 H new ATOM 0 HG LEU A 123 9.956 1.625 -2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 123 9.332 2.908 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 123 10.533 3.764 -1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 123 8.827 4.266 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 123 7.641 1.482 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 123 7.109 2.769 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.620 1.192 -3.056 1.00 0.00 H new ATOM 1958 N ARG A 124 12.928 3.017 -2.897 1.00 0.00 N ATOM 1959 CA ARG A 124 14.081 2.149 -2.631 1.00 0.00 C ATOM 1960 C ARG A 124 13.850 1.251 -1.419 1.00 0.00 C ATOM 1961 O ARG A 124 14.342 0.122 -1.424 1.00 0.00 O ATOM 1962 CB ARG A 124 15.358 2.989 -2.428 1.00 0.00 C ATOM 1963 CG ARG A 124 15.758 3.840 -3.646 1.00 0.00 C ATOM 1964 CD ARG A 124 16.061 3.039 -4.923 1.00 0.00 C ATOM 1965 NE ARG A 124 17.294 2.240 -4.809 1.00 0.00 N ATOM 1966 CZ ARG A 124 17.753 1.361 -5.709 1.00 0.00 C ATOM 1967 NH1 ARG A 124 17.071 1.076 -6.820 1.00 0.00 N ATOM 1968 NH2 ARG A 124 18.918 0.773 -5.477 1.00 0.00 N ATOM 0 H ARG A 124 12.913 3.862 -2.326 1.00 0.00 H new ATOM 0 HA ARG A 124 14.208 1.508 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 124 15.213 3.647 -1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 124 16.183 2.321 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 124 14.954 4.545 -3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 124 16.638 4.429 -3.386 1.00 0.00 H new ATOM 0 HD2 ARG A 124 15.222 2.378 -5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 124 16.153 3.725 -5.765 1.00 0.00 H new ATOM 0 HE ARG A 124 17.851 2.369 -3.964 1.00 0.00 H new ATOM 0 HH11 ARG A 124 16.177 1.532 -7.000 1.00 0.00 H new ATOM 0 HH12 ARG A 124 17.444 0.402 -7.489 1.00 0.00 H new ATOM 0 HH21 ARG A 124 19.441 0.994 -4.630 1.00 0.00 H new ATOM 0 HH22 ARG A 124 19.291 0.099 -6.146 1.00 0.00 H new ATOM 1982 N HIS A 125 13.113 1.705 -0.399 1.00 0.00 N ATOM 1983 CA HIS A 125 12.814 0.906 0.790 1.00 0.00 C ATOM 1984 C HIS A 125 11.571 1.452 1.494 1.00 0.00 C ATOM 1985 O HIS A 125 11.256 2.638 1.367 1.00 0.00 O ATOM 1986 CB HIS A 125 14.014 0.936 1.753 1.00 0.00 C ATOM 1987 CG HIS A 125 13.919 -0.069 2.878 1.00 0.00 C ATOM 1988 ND1 HIS A 125 14.123 -1.428 2.772 1.00 0.00 N ATOM 1989 CD2 HIS A 125 13.619 0.189 4.191 1.00 0.00 C ATOM 1990 CE1 HIS A 125 13.951 -1.972 3.990 1.00 0.00 C ATOM 1991 NE2 HIS A 125 13.660 -1.021 4.897 1.00 0.00 N ATOM 0 H HIS A 125 12.707 2.640 -0.377 1.00 0.00 H new ATOM 0 HA HIS A 125 12.623 -0.123 0.485 1.00 0.00 H new ATOM 0 HB2 HIS A 125 14.927 0.749 1.187 1.00 0.00 H new ATOM 0 HB3 HIS A 125 14.102 1.936 2.178 1.00 0.00 H new ATOM 0 HD2 HIS A 125 13.390 1.158 4.609 1.00 0.00 H new ATOM 0 HE1 HIS A 125 14.035 -3.026 4.210 1.00 0.00 H new ATOM 0 HE2 HIS A 125 13.501 -1.154 5.896 1.00 0.00 H new ATOM 1999 N PHE A 126 10.921 0.604 2.293 1.00 0.00 N ATOM 2000 CA PHE A 126 9.782 0.930 3.144 1.00 0.00 C ATOM 2001 C PHE A 126 9.964 0.199 4.480 1.00 0.00 C ATOM 2002 O PHE A 126 10.390 -0.961 4.496 1.00 0.00 O ATOM 2003 CB PHE A 126 8.473 0.511 2.443 1.00 0.00 C ATOM 2004 CG PHE A 126 7.387 -0.033 3.362 1.00 0.00 C ATOM 2005 CD1 PHE A 126 6.790 0.796 4.331 1.00 0.00 C ATOM 2006 CD2 PHE A 126 7.018 -1.393 3.294 1.00 0.00 C ATOM 2007 CE1 PHE A 126 5.834 0.274 5.220 1.00 0.00 C ATOM 2008 CE2 PHE A 126 6.065 -1.915 4.187 1.00 0.00 C ATOM 2009 CZ PHE A 126 5.473 -1.082 5.152 1.00 0.00 C ATOM 0 H PHE A 126 11.191 -0.377 2.366 1.00 0.00 H new ATOM 0 HA PHE A 126 9.726 2.003 3.328 1.00 0.00 H new ATOM 0 HB2 PHE A 126 8.075 1.373 1.908 1.00 0.00 H new ATOM 0 HB3 PHE A 126 8.707 -0.247 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 126 7.068 1.838 4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 126 7.469 -2.036 2.553 1.00 0.00 H new ATOM 0 HE1 PHE A 126 5.376 0.917 5.957 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.788 -2.957 4.131 1.00 0.00 H new ATOM 0 HZ PHE A 126 4.743 -1.483 5.839 1.00 0.00 H new ATOM 2019 N GLN A 127 9.611 0.860 5.586 1.00 0.00 N ATOM 2020 CA GLN A 127 9.596 0.289 6.930 1.00 0.00 C ATOM 2021 C GLN A 127 8.460 0.939 7.737 1.00 0.00 C ATOM 2022 O GLN A 127 8.002 2.030 7.385 1.00 0.00 O ATOM 2023 CB GLN A 127 10.987 0.519 7.561 1.00 0.00 C ATOM 2024 CG GLN A 127 11.227 -0.209 8.892 1.00 0.00 C ATOM 2025 CD GLN A 127 10.980 -1.719 8.798 1.00 0.00 C ATOM 2026 OE1 GLN A 127 10.098 -2.256 9.465 1.00 0.00 O ATOM 2027 NE2 GLN A 127 11.711 -2.434 7.954 1.00 0.00 N ATOM 0 H GLN A 127 9.319 1.837 5.567 1.00 0.00 H new ATOM 0 HA GLN A 127 9.404 -0.784 6.915 1.00 0.00 H new ATOM 0 HB2 GLN A 127 11.749 0.202 6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 127 11.124 1.589 7.720 1.00 0.00 H new ATOM 0 HG2 GLN A 127 12.252 -0.033 9.217 1.00 0.00 H new ATOM 0 HG3 GLN A 127 10.574 0.214 9.655 1.00 0.00 H new ATOM 0 HE21 GLN A 127 12.441 -1.983 7.403 1.00 0.00 H new ATOM 0 HE22 GLN A 127 11.543 -3.435 7.855 1.00 0.00 H new ATOM 2036 N ALA A 128 8.012 0.302 8.827 1.00 0.00 N ATOM 2037 CA ALA A 128 6.964 0.817 9.707 1.00 0.00 C ATOM 2038 C ALA A 128 7.199 0.394 11.159 1.00 0.00 C ATOM 2039 O ALA A 128 7.874 -0.604 11.423 1.00 0.00 O ATOM 2040 CB ALA A 128 5.597 0.309 9.230 1.00 0.00 C ATOM 0 H ALA A 128 8.377 -0.603 9.124 1.00 0.00 H new ATOM 0 HA ALA A 128 6.987 1.906 9.666 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.817 0.693 9.887 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.416 0.653 8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.586 -0.781 9.252 1.00 0.00 H new ATOM 2046 N GLY A 129 6.600 1.140 12.093 1.00 0.00 N ATOM 2047 CA GLY A 129 6.566 0.812 13.518 1.00 0.00 C ATOM 2048 C GLY A 129 7.947 0.727 14.179 1.00 0.00 C ATOM 2049 O GLY A 129 8.110 -0.010 15.156 1.00 0.00 O ATOM 0 H GLY A 129 6.114 2.009 11.871 1.00 0.00 H new ATOM 0 HA2 GLY A 129 5.973 1.564 14.038 1.00 0.00 H new ATOM 0 HA3 GLY A 129 6.055 -0.142 13.647 1.00 0.00 H new ATOM 2053 N GLY A 130 8.945 1.442 13.648 1.00 0.00 N ATOM 2054 CA GLY A 130 10.278 1.525 14.241 1.00 0.00 C ATOM 2055 C GLY A 130 10.262 2.272 15.581 1.00 0.00 C ATOM 2056 O GLY A 130 9.280 2.939 15.929 1.00 0.00 O ATOM 0 H GLY A 130 8.846 1.982 12.788 1.00 0.00 H new ATOM 0 HA2 GLY A 130 10.672 0.520 14.390 1.00 0.00 H new ATOM 0 HA3 GLY A 130 10.952 2.032 13.550 1.00 0.00 H new ATOM 2060 N SER A 131 11.365 2.168 16.328 1.00 0.00 N ATOM 2061 CA SER A 131 11.618 2.939 17.543 1.00 0.00 C ATOM 2062 C SER A 131 11.935 4.380 17.131 1.00 0.00 C ATOM 2063 O SER A 131 13.086 4.709 16.814 1.00 0.00 O ATOM 2064 CB SER A 131 12.764 2.301 18.343 1.00 0.00 C ATOM 2065 OG SER A 131 12.502 0.922 18.588 1.00 0.00 O ATOM 0 H SER A 131 12.125 1.528 16.096 1.00 0.00 H new ATOM 0 HA SER A 131 10.743 2.942 18.193 1.00 0.00 H new ATOM 0 HB2 SER A 131 13.700 2.406 17.794 1.00 0.00 H new ATOM 0 HB3 SER A 131 12.889 2.826 19.290 1.00 0.00 H new ATOM 0 HG SER A 131 13.244 0.533 19.097 1.00 0.00 H new ATOM 2071 N GLY A 132 10.895 5.216 17.032 1.00 0.00 N ATOM 2072 CA GLY A 132 10.949 6.428 16.228 1.00 0.00 C ATOM 2073 C GLY A 132 11.526 6.087 14.851 1.00 0.00 C ATOM 2074 O GLY A 132 11.134 5.088 14.244 1.00 0.00 O ATOM 0 H GLY A 132 10.003 5.068 17.505 1.00 0.00 H new ATOM 0 HA2 GLY A 132 9.952 6.855 16.123 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.567 7.179 16.720 1.00 0.00 H new ATOM 2078 N MET A 133 12.504 6.866 14.384 1.00 0.00 N ATOM 2079 CA MET A 133 13.136 6.668 13.078 1.00 0.00 C ATOM 2080 C MET A 133 14.588 6.186 13.217 1.00 0.00 C ATOM 2081 O MET A 133 15.404 6.427 12.326 1.00 0.00 O ATOM 2082 CB MET A 133 13.032 7.963 12.254 1.00 0.00 C ATOM 2083 CG MET A 133 11.595 8.469 12.077 1.00 0.00 C ATOM 2084 SD MET A 133 11.302 9.424 10.558 1.00 0.00 S ATOM 2085 CE MET A 133 12.745 10.530 10.539 1.00 0.00 C ATOM 0 H MET A 133 12.882 7.657 14.905 1.00 0.00 H new ATOM 0 HA MET A 133 12.605 5.878 12.546 1.00 0.00 H new ATOM 0 HB2 MET A 133 13.624 8.740 12.738 1.00 0.00 H new ATOM 0 HB3 MET A 133 13.472 7.794 11.271 1.00 0.00 H new ATOM 0 HG2 MET A 133 10.920 7.613 12.087 1.00 0.00 H new ATOM 0 HG3 MET A 133 11.335 9.089 12.935 1.00 0.00 H new ATOM 0 HE1 MET A 133 12.558 11.360 9.857 1.00 0.00 H new ATOM 0 HE2 MET A 133 12.920 10.917 11.543 1.00 0.00 H new ATOM 0 HE3 MET A 133 13.623 9.977 10.205 1.00 0.00 H new ATOM 2095 N LYS A 134 14.970 5.557 14.340 1.00 0.00 N ATOM 2096 CA LYS A 134 16.393 5.309 14.611 1.00 0.00 C ATOM 2097 C LYS A 134 17.012 4.334 13.600 1.00 0.00 C ATOM 2098 O LYS A 134 18.151 4.545 13.187 1.00 0.00 O ATOM 2099 CB LYS A 134 16.599 4.852 16.070 1.00 0.00 C ATOM 2100 CG LYS A 134 18.063 4.846 16.559 1.00 0.00 C ATOM 2101 CD LYS A 134 18.737 6.218 16.786 1.00 0.00 C ATOM 2102 CE LYS A 134 19.157 6.958 15.500 1.00 0.00 C ATOM 2103 NZ LYS A 134 20.107 8.072 15.757 1.00 0.00 N ATOM 0 H LYS A 134 14.330 5.218 15.059 1.00 0.00 H new ATOM 0 HA LYS A 134 16.926 6.251 14.484 1.00 0.00 H new ATOM 0 HB2 LYS A 134 16.018 5.503 16.723 1.00 0.00 H new ATOM 0 HB3 LYS A 134 16.193 3.846 16.179 1.00 0.00 H new ATOM 0 HG2 LYS A 134 18.104 4.290 17.496 1.00 0.00 H new ATOM 0 HG3 LYS A 134 18.659 4.292 15.834 1.00 0.00 H new ATOM 0 HD2 LYS A 134 18.052 6.854 17.346 1.00 0.00 H new ATOM 0 HD3 LYS A 134 19.620 6.074 17.409 1.00 0.00 H new ATOM 0 HE2 LYS A 134 19.615 6.248 14.812 1.00 0.00 H new ATOM 0 HE3 LYS A 134 18.268 7.352 15.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 20.171 8.676 14.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 19.770 8.637 16.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 21.046 7.683 15.976 1.00 0.00 H new ATOM 2117 N MET A 135 16.268 3.312 13.166 1.00 0.00 N ATOM 2118 CA MET A 135 16.730 2.394 12.118 1.00 0.00 C ATOM 2119 C MET A 135 16.751 3.124 10.771 1.00 0.00 C ATOM 2120 O MET A 135 17.707 3.002 10.008 1.00 0.00 O ATOM 2121 CB MET A 135 15.818 1.151 12.079 1.00 0.00 C ATOM 2122 CG MET A 135 16.458 -0.086 11.425 1.00 0.00 C ATOM 2123 SD MET A 135 16.886 -0.041 9.655 1.00 0.00 S ATOM 2124 CE MET A 135 15.279 0.361 8.906 1.00 0.00 C ATOM 0 H MET A 135 15.338 3.098 13.526 1.00 0.00 H new ATOM 0 HA MET A 135 17.744 2.058 12.334 1.00 0.00 H new ATOM 0 HB2 MET A 135 15.525 0.898 13.098 1.00 0.00 H new ATOM 0 HB3 MET A 135 14.905 1.402 11.538 1.00 0.00 H new ATOM 0 HG2 MET A 135 17.371 -0.312 11.977 1.00 0.00 H new ATOM 0 HG3 MET A 135 15.778 -0.924 11.576 1.00 0.00 H new ATOM 0 HE1 MET A 135 15.362 0.317 7.820 1.00 0.00 H new ATOM 0 HE2 MET A 135 14.531 -0.357 9.242 1.00 0.00 H new ATOM 0 HE3 MET A 135 14.979 1.365 9.206 1.00 0.00 H new ATOM 2134 N LEU A 136 15.713 3.921 10.487 1.00 0.00 N ATOM 2135 CA LEU A 136 15.523 4.600 9.204 1.00 0.00 C ATOM 2136 C LEU A 136 16.708 5.497 8.850 1.00 0.00 C ATOM 2137 O LEU A 136 17.077 5.578 7.682 1.00 0.00 O ATOM 2138 CB LEU A 136 14.246 5.443 9.277 1.00 0.00 C ATOM 2139 CG LEU A 136 13.858 6.120 7.951 1.00 0.00 C ATOM 2140 CD1 LEU A 136 13.366 5.088 6.930 1.00 0.00 C ATOM 2141 CD2 LEU A 136 12.784 7.157 8.260 1.00 0.00 C ATOM 0 H LEU A 136 14.969 4.114 11.157 1.00 0.00 H new ATOM 0 HA LEU A 136 15.442 3.842 8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 136 13.423 4.807 9.601 1.00 0.00 H new ATOM 0 HB3 LEU A 136 14.375 6.211 10.040 1.00 0.00 H new ATOM 0 HG LEU A 136 14.725 6.606 7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 136 13.098 5.593 6.002 1.00 0.00 H new ATOM 0 HD12 LEU A 136 14.157 4.364 6.734 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.492 4.571 7.327 1.00 0.00 H new ATOM 0 HD21 LEU A 136 12.485 7.657 7.339 1.00 0.00 H new ATOM 0 HD22 LEU A 136 11.918 6.664 8.702 1.00 0.00 H new ATOM 0 HD23 LEU A 136 13.179 7.893 8.960 1.00 0.00 H new ATOM 2153 N GLU A 137 17.323 6.133 9.850 1.00 0.00 N ATOM 2154 CA GLU A 137 18.533 6.936 9.686 1.00 0.00 C ATOM 2155 C GLU A 137 19.619 6.140 8.941 1.00 0.00 C ATOM 2156 O GLU A 137 20.279 6.672 8.043 1.00 0.00 O ATOM 2157 CB GLU A 137 19.002 7.378 11.085 1.00 0.00 C ATOM 2158 CG GLU A 137 20.183 8.359 11.071 1.00 0.00 C ATOM 2159 CD GLU A 137 20.763 8.541 12.484 1.00 0.00 C ATOM 2160 OE1 GLU A 137 21.625 7.733 12.902 1.00 0.00 O ATOM 2161 OE2 GLU A 137 20.349 9.479 13.211 1.00 0.00 O ATOM 0 H GLU A 137 16.987 6.103 10.812 1.00 0.00 H new ATOM 0 HA GLU A 137 18.327 7.818 9.079 1.00 0.00 H new ATOM 0 HB2 GLU A 137 18.165 7.842 11.607 1.00 0.00 H new ATOM 0 HB3 GLU A 137 19.285 6.494 11.657 1.00 0.00 H new ATOM 0 HG2 GLU A 137 20.959 7.991 10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 137 19.856 9.323 10.681 1.00 0.00 H new ATOM 2168 N LYS A 138 19.783 4.849 9.260 1.00 0.00 N ATOM 2169 CA LYS A 138 20.760 3.990 8.594 1.00 0.00 C ATOM 2170 C LYS A 138 20.357 3.756 7.142 1.00 0.00 C ATOM 2171 O LYS A 138 21.183 3.942 6.251 1.00 0.00 O ATOM 2172 CB LYS A 138 20.919 2.636 9.317 1.00 0.00 C ATOM 2173 CG LYS A 138 21.179 2.687 10.832 1.00 0.00 C ATOM 2174 CD LYS A 138 22.294 3.656 11.251 1.00 0.00 C ATOM 2175 CE LYS A 138 22.753 3.327 12.679 1.00 0.00 C ATOM 2176 NZ LYS A 138 23.704 4.334 13.217 1.00 0.00 N ATOM 0 H LYS A 138 19.243 4.376 9.984 1.00 0.00 H new ATOM 0 HA LYS A 138 21.721 4.503 8.626 1.00 0.00 H new ATOM 0 HB2 LYS A 138 20.015 2.051 9.147 1.00 0.00 H new ATOM 0 HB3 LYS A 138 21.741 2.095 8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 138 20.257 2.973 11.337 1.00 0.00 H new ATOM 0 HG3 LYS A 138 21.435 1.686 11.179 1.00 0.00 H new ATOM 0 HD2 LYS A 138 23.135 3.579 10.561 1.00 0.00 H new ATOM 0 HD3 LYS A 138 21.934 4.684 11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 138 21.883 3.268 13.333 1.00 0.00 H new ATOM 0 HE3 LYS A 138 23.225 2.345 12.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 23.983 4.067 14.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 24.548 4.373 12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 23.247 5.268 13.235 1.00 0.00 H new ATOM 2190 N ARG A 139 19.096 3.396 6.870 1.00 0.00 N ATOM 2191 CA ARG A 139 18.641 3.157 5.495 1.00 0.00 C ATOM 2192 C ARG A 139 18.768 4.424 4.654 1.00 0.00 C ATOM 2193 O ARG A 139 19.140 4.325 3.490 1.00 0.00 O ATOM 2194 CB ARG A 139 17.212 2.577 5.485 1.00 0.00 C ATOM 2195 CG ARG A 139 16.579 2.460 4.082 1.00 0.00 C ATOM 2196 CD ARG A 139 17.347 1.597 3.065 1.00 0.00 C ATOM 2197 NE ARG A 139 17.267 0.149 3.343 1.00 0.00 N ATOM 2198 CZ ARG A 139 17.898 -0.814 2.653 1.00 0.00 C ATOM 2199 NH1 ARG A 139 18.781 -0.507 1.702 1.00 0.00 N ATOM 2200 NH2 ARG A 139 17.642 -2.094 2.910 1.00 0.00 N ATOM 0 H ARG A 139 18.376 3.264 7.580 1.00 0.00 H new ATOM 0 HA ARG A 139 19.287 2.409 5.036 1.00 0.00 H new ATOM 0 HB2 ARG A 139 17.231 1.589 5.945 1.00 0.00 H new ATOM 0 HB3 ARG A 139 16.574 3.205 6.106 1.00 0.00 H new ATOM 0 HG2 ARG A 139 15.575 2.050 4.191 1.00 0.00 H new ATOM 0 HG3 ARG A 139 16.471 3.463 3.669 1.00 0.00 H new ATOM 0 HD2 ARG A 139 16.954 1.790 2.067 1.00 0.00 H new ATOM 0 HD3 ARG A 139 18.394 1.901 3.060 1.00 0.00 H new ATOM 0 HE ARG A 139 16.683 -0.144 4.126 1.00 0.00 H new ATOM 0 HH11 ARG A 139 18.984 0.470 1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 139 19.253 -1.249 1.186 1.00 0.00 H new ATOM 0 HH21 ARG A 139 16.966 -2.344 3.632 1.00 0.00 H new ATOM 0 HH22 ARG A 139 18.122 -2.825 2.385 1.00 0.00 H new ATOM 2214 N VAL A 140 18.513 5.604 5.210 1.00 0.00 N ATOM 2215 CA VAL A 140 18.707 6.862 4.497 1.00 0.00 C ATOM 2216 C VAL A 140 20.183 7.041 4.137 1.00 0.00 C ATOM 2217 O VAL A 140 20.480 7.366 2.989 1.00 0.00 O ATOM 2218 CB VAL A 140 18.113 8.014 5.332 1.00 0.00 C ATOM 2219 CG1 VAL A 140 18.709 9.382 4.964 1.00 0.00 C ATOM 2220 CG2 VAL A 140 16.587 7.999 5.136 1.00 0.00 C ATOM 0 H VAL A 140 18.168 5.715 6.163 1.00 0.00 H new ATOM 0 HA VAL A 140 18.173 6.860 3.547 1.00 0.00 H new ATOM 0 HB VAL A 140 18.366 7.860 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 140 18.254 10.155 5.583 1.00 0.00 H new ATOM 0 HG12 VAL A 140 19.786 9.367 5.134 1.00 0.00 H new ATOM 0 HG13 VAL A 140 18.510 9.595 3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 140 16.138 8.805 5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 140 16.354 8.139 4.080 1.00 0.00 H new ATOM 0 HG23 VAL A 140 16.186 7.043 5.473 1.00 0.00 H new ATOM 2230 N ASN A 141 21.114 6.772 5.059 1.00 0.00 N ATOM 2231 CA ASN A 141 22.544 6.823 4.739 1.00 0.00 C ATOM 2232 C ASN A 141 22.883 5.817 3.636 1.00 0.00 C ATOM 2233 O ASN A 141 23.666 6.123 2.737 1.00 0.00 O ATOM 2234 CB ASN A 141 23.412 6.578 5.984 1.00 0.00 C ATOM 2235 CG ASN A 141 23.597 7.856 6.793 1.00 0.00 C ATOM 2236 OD1 ASN A 141 24.548 8.605 6.583 1.00 0.00 O ATOM 2237 ND2 ASN A 141 22.692 8.152 7.710 1.00 0.00 N ATOM 0 H ASN A 141 20.905 6.519 6.025 1.00 0.00 H new ATOM 0 HA ASN A 141 22.767 7.826 4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 141 22.948 5.814 6.608 1.00 0.00 H new ATOM 0 HB3 ASN A 141 24.386 6.193 5.681 1.00 0.00 H new ATOM 0 HD21 ASN A 141 22.778 9.011 8.253 1.00 0.00 H new ATOM 0 HD22 ASN A 141 21.907 7.521 7.874 1.00 0.00 H new ATOM 2244 N ARG A 142 22.257 4.636 3.656 1.00 0.00 N ATOM 2245 CA ARG A 142 22.419 3.627 2.611 1.00 0.00 C ATOM 2246 C ARG A 142 21.920 4.167 1.265 1.00 0.00 C ATOM 2247 O ARG A 142 22.620 4.028 0.268 1.00 0.00 O ATOM 2248 CB ARG A 142 21.703 2.326 3.035 1.00 0.00 C ATOM 2249 CG ARG A 142 22.510 1.051 2.744 1.00 0.00 C ATOM 2250 CD ARG A 142 22.665 0.759 1.249 1.00 0.00 C ATOM 2251 NE ARG A 142 23.517 -0.418 1.013 1.00 0.00 N ATOM 2252 CZ ARG A 142 23.796 -0.943 -0.188 1.00 0.00 C ATOM 2253 NH1 ARG A 142 23.158 -0.519 -1.278 1.00 0.00 N ATOM 2254 NH2 ARG A 142 24.721 -1.894 -0.294 1.00 0.00 N ATOM 0 H ARG A 142 21.621 4.354 4.402 1.00 0.00 H new ATOM 0 HA ARG A 142 23.475 3.392 2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 142 21.487 2.372 4.102 1.00 0.00 H new ATOM 0 HB3 ARG A 142 20.745 2.264 2.518 1.00 0.00 H new ATOM 0 HG2 ARG A 142 23.499 1.145 3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 142 22.021 0.203 3.224 1.00 0.00 H new ATOM 0 HD2 ARG A 142 21.683 0.593 0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 142 23.096 1.627 0.751 1.00 0.00 H new ATOM 0 HE ARG A 142 23.928 -0.870 1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 142 22.450 0.212 -1.203 1.00 0.00 H new ATOM 0 HH12 ARG A 142 23.377 -0.925 -2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 142 25.214 -2.220 0.537 1.00 0.00 H new ATOM 0 HH22 ARG A 142 24.937 -2.296 -1.206 1.00 0.00 H new ATOM 2268 N VAL A 143 20.757 4.819 1.218 1.00 0.00 N ATOM 2269 CA VAL A 143 20.242 5.423 -0.010 1.00 0.00 C ATOM 2270 C VAL A 143 21.163 6.554 -0.478 1.00 0.00 C ATOM 2271 O VAL A 143 21.406 6.652 -1.679 1.00 0.00 O ATOM 2272 CB VAL A 143 18.764 5.837 0.169 1.00 0.00 C ATOM 2273 CG1 VAL A 143 18.255 6.787 -0.926 1.00 0.00 C ATOM 2274 CG2 VAL A 143 17.889 4.572 0.155 1.00 0.00 C ATOM 0 H VAL A 143 20.148 4.942 2.027 1.00 0.00 H new ATOM 0 HA VAL A 143 20.246 4.688 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 143 18.700 6.371 1.117 1.00 0.00 H new ATOM 0 HG11 VAL A 143 17.211 7.035 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 143 18.851 7.699 -0.922 1.00 0.00 H new ATOM 0 HG13 VAL A 143 18.341 6.301 -1.898 1.00 0.00 H new ATOM 0 HG21 VAL A 143 16.843 4.852 0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 143 18.014 4.053 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 143 18.189 3.913 0.970 1.00 0.00 H new ATOM 2284 N LEU A 144 21.745 7.369 0.411 1.00 0.00 N ATOM 2285 CA LEU A 144 22.729 8.368 -0.016 1.00 0.00 C ATOM 2286 C LEU A 144 23.897 7.672 -0.716 1.00 0.00 C ATOM 2287 O LEU A 144 24.310 8.116 -1.785 1.00 0.00 O ATOM 2288 CB LEU A 144 23.245 9.226 1.155 1.00 0.00 C ATOM 2289 CG LEU A 144 22.215 10.194 1.768 1.00 0.00 C ATOM 2290 CD1 LEU A 144 22.821 10.898 2.986 1.00 0.00 C ATOM 2291 CD2 LEU A 144 21.742 11.261 0.776 1.00 0.00 C ATOM 0 H LEU A 144 21.555 7.357 1.413 1.00 0.00 H new ATOM 0 HA LEU A 144 22.230 9.045 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 144 23.605 8.561 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 144 24.102 9.805 0.810 1.00 0.00 H new ATOM 0 HG LEU A 144 21.353 9.591 2.054 1.00 0.00 H new ATOM 0 HD11 LEU A 144 22.087 11.581 3.414 1.00 0.00 H new ATOM 0 HD12 LEU A 144 23.104 10.155 3.732 1.00 0.00 H new ATOM 0 HD13 LEU A 144 23.704 11.460 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 144 21.018 11.914 1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 144 22.596 11.851 0.441 1.00 0.00 H new ATOM 0 HD23 LEU A 144 21.276 10.778 -0.083 1.00 0.00 H new ATOM 2303 N ALA A 145 24.375 6.546 -0.175 1.00 0.00 N ATOM 2304 CA ALA A 145 25.437 5.742 -0.776 1.00 0.00 C ATOM 2305 C ALA A 145 25.018 5.039 -2.086 1.00 0.00 C ATOM 2306 O ALA A 145 25.868 4.430 -2.742 1.00 0.00 O ATOM 2307 CB ALA A 145 25.956 4.730 0.254 1.00 0.00 C ATOM 0 H ALA A 145 24.028 6.165 0.705 1.00 0.00 H new ATOM 0 HA ALA A 145 26.237 6.426 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 145 26.748 4.130 -0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 145 26.349 5.262 1.121 1.00 0.00 H new ATOM 0 HB3 ALA A 145 25.140 4.079 0.567 1.00 0.00 H new ATOM 2313 N GLU A 146 23.745 5.116 -2.488 1.00 0.00 N ATOM 2314 CA GLU A 146 23.227 4.618 -3.767 1.00 0.00 C ATOM 2315 C GLU A 146 22.960 5.776 -4.746 1.00 0.00 C ATOM 2316 O GLU A 146 22.645 5.532 -5.915 1.00 0.00 O ATOM 2317 CB GLU A 146 21.921 3.834 -3.539 1.00 0.00 C ATOM 2318 CG GLU A 146 22.135 2.485 -2.842 1.00 0.00 C ATOM 2319 CD GLU A 146 20.814 1.795 -2.454 1.00 0.00 C ATOM 2320 OE1 GLU A 146 19.781 1.967 -3.146 1.00 0.00 O ATOM 2321 OE2 GLU A 146 20.833 1.011 -1.475 1.00 0.00 O ATOM 0 H GLU A 146 23.020 5.542 -1.911 1.00 0.00 H new ATOM 0 HA GLU A 146 23.981 3.961 -4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 146 21.242 4.440 -2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 146 21.435 3.665 -4.500 1.00 0.00 H new ATOM 0 HG2 GLU A 146 22.703 1.828 -3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 146 22.737 2.636 -1.946 1.00 0.00 H new ATOM 2328 N THR A 147 23.095 7.026 -4.292 1.00 0.00 N ATOM 2329 CA THR A 147 22.630 8.225 -4.991 1.00 0.00 C ATOM 2330 C THR A 147 23.744 9.297 -5.006 1.00 0.00 C ATOM 2331 O THR A 147 23.492 10.481 -5.246 1.00 0.00 O ATOM 2332 CB THR A 147 21.302 8.703 -4.344 1.00 0.00 C ATOM 2333 OG1 THR A 147 20.453 7.627 -3.973 1.00 0.00 O ATOM 2334 CG2 THR A 147 20.454 9.555 -5.292 1.00 0.00 C ATOM 0 H THR A 147 23.545 7.236 -3.401 1.00 0.00 H new ATOM 0 HA THR A 147 22.414 8.010 -6.037 1.00 0.00 H new ATOM 0 HB THR A 147 21.634 9.273 -3.476 1.00 0.00 H new ATOM 0 HG1 THR A 147 20.730 7.277 -3.101 1.00 0.00 H new ATOM 0 HG21 THR A 147 19.538 9.860 -4.786 1.00 0.00 H new ATOM 0 HG22 THR A 147 21.017 10.440 -5.588 1.00 0.00 H new ATOM 0 HG23 THR A 147 20.202 8.972 -6.178 1.00 0.00 H new ATOM 2342 N GLU A 148 24.995 8.894 -4.758 1.00 0.00 N ATOM 2343 CA GLU A 148 26.188 9.730 -4.730 1.00 0.00 C ATOM 2344 C GLU A 148 27.357 8.856 -5.185 1.00 0.00 C ATOM 2345 O GLU A 148 28.156 9.318 -6.029 1.00 0.00 O ATOM 2346 CB GLU A 148 26.404 10.284 -3.307 1.00 0.00 C ATOM 2347 CG GLU A 148 27.607 11.234 -3.210 1.00 0.00 C ATOM 2348 CD GLU A 148 27.722 11.866 -1.805 1.00 0.00 C ATOM 2349 OE1 GLU A 148 28.223 11.198 -0.865 1.00 0.00 O ATOM 2350 OE2 GLU A 148 27.333 13.049 -1.630 1.00 0.00 O ATOM 2351 OXT GLU A 148 27.437 7.683 -4.748 1.00 0.00 O ATOM 0 H GLU A 148 25.208 7.916 -4.560 1.00 0.00 H new ATOM 0 HA GLU A 148 26.094 10.590 -5.393 1.00 0.00 H new ATOM 0 HB2 GLU A 148 25.505 10.811 -2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 148 26.548 9.452 -2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 148 28.522 10.688 -3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 148 27.510 12.022 -3.957 1.00 0.00 H new TER 2358 GLU A 148