USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 777 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: C 39 TYR OH : rot -179:sc= 1.51 USER MOD Set 1.2: C 50 HIS : no HE2:sc= 0.0112 K(o=1.5,f=-2.6!) USER MOD Set 2.1: B 21 ASN : amide:sc= -5.32! C(o=-5.8!,f=-8.5!) USER MOD Set 2.2: B 52 ASN : amide:sc= -0.447 K(o=-5.8,f=-5) USER MOD Set 3.1: A 21 ASN : amide:sc= -2.43! K(o=-3.6!,f=-2.7) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.14 K(o=-3.6,f=-2.5) USER MOD Set 4.1: A 35 HIS : no HD1:sc= -0.0657 K(o=-0.13,f=-1.2) USER MOD Set 4.2: B 23 ASN : amide:sc= -0.068 X(o=-0.13,f=-0.49) USER MOD Single : A 18 TYR OH : rot 180:sc= -3.54! USER MOD Single : A 23 ASN : amide:sc= -3.45! X(o=-3.5!,f=-3.6) USER MOD Single : A 26 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.32) USER MOD Single : A 32 HIS : no HD1:sc= -0.0682 X(o=-0.068,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -23:sc= 0.0917 USER MOD Single : A 40 GLN : amide:sc= -1.58! X(o=-1.6!,f=-1.3) USER MOD Single : A 41 SER OG : rot 109:sc= -1.3! USER MOD Single : A 43 ASN : amide:sc= -2.43! K(o=-2.4!,f=-0.27) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -161:sc= 1.18 (180deg=1.06) USER MOD Single : A 55 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.62) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 GLN : amide:sc= -4.57! K(o=-4.6!,f=-0.27) USER MOD Single : B 32 HIS : no HD1:sc= -0.0852 X(o=-0.085,f=-0.34) USER MOD Single : B 33 SER OG : rot 73:sc= 0.0638 USER MOD Single : B 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 39 SER OG : rot 180:sc= 0 USER MOD Single : B 40 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.34) USER MOD Single : B 41 SER OG : rot -83:sc=-0.00188 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 172:sc= -0.0322 (180deg=-0.0705) USER MOD Single : B 50 LYS NZ :NH3+ -150:sc= 1.12 (180deg=0.806) USER MOD Single : B 55 GLN : amide:sc= -2.15 K(o=-2.1,f=-0.63) USER MOD Single : C 42 SER OG : rot 180:sc= 0 USER MOD Single : C 43 LYS NZ :NH3+ 143:sc= -0.345 (180deg=-1.47) USER MOD Single : C 44 THR OG1 : rot 180:sc=-0.00165 USER MOD Single : C 45 LYS NZ :NH3+ 169:sc= -0.0103 (180deg=-0.143) USER MOD Single : C 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N GLU A 15 -7.893 -1.663 -10.486 1.00 0.31 N ATOM 23 CA GLU A 15 -7.561 -0.290 -10.841 1.00 0.18 C ATOM 24 C GLU A 15 -6.969 0.430 -9.636 1.00 0.13 C ATOM 25 O GLU A 15 -7.351 0.164 -8.496 1.00 0.17 O ATOM 26 CB GLU A 15 -8.791 0.439 -11.380 1.00 0.24 C ATOM 27 CG GLU A 15 -9.774 0.879 -10.319 1.00 0.30 C ATOM 28 CD GLU A 15 -10.985 1.568 -10.905 1.00 0.58 C ATOM 29 OE1 GLU A 15 -10.874 2.751 -11.285 1.00 0.94 O ATOM 30 OE2 GLU A 15 -12.054 0.930 -10.988 1.00 1.58 O ATOM 0 HA GLU A 15 -6.812 -0.298 -11.633 1.00 0.18 H new ATOM 0 HB2 GLU A 15 -8.462 1.315 -11.939 1.00 0.24 H new ATOM 0 HB3 GLU A 15 -9.305 -0.214 -12.085 1.00 0.24 H new ATOM 0 HG2 GLU A 15 -10.096 0.011 -9.744 1.00 0.30 H new ATOM 0 HG3 GLU A 15 -9.276 1.555 -9.624 1.00 0.30 H new ATOM 37 N ILE A 16 -6.044 1.340 -9.884 1.00 0.12 N ATOM 38 CA ILE A 16 -5.229 1.888 -8.813 1.00 0.11 C ATOM 39 C ILE A 16 -5.753 3.223 -8.297 1.00 0.10 C ATOM 40 O ILE A 16 -6.346 4.016 -9.034 1.00 0.14 O ATOM 41 CB ILE A 16 -3.766 2.093 -9.250 1.00 0.12 C ATOM 42 CG1 ILE A 16 -3.240 0.869 -10.002 1.00 0.13 C ATOM 43 CG2 ILE A 16 -2.894 2.366 -8.030 1.00 0.11 C ATOM 44 CD1 ILE A 16 -2.651 -0.175 -9.098 1.00 0.12 C ATOM 0 H ILE A 16 -5.839 1.714 -10.811 1.00 0.12 H new ATOM 0 HA ILE A 16 -5.282 1.148 -8.014 1.00 0.11 H new ATOM 0 HB ILE A 16 -3.728 2.950 -9.923 1.00 0.12 H new ATOM 0 HG12 ILE A 16 -4.054 0.426 -10.575 1.00 0.13 H new ATOM 0 HG13 ILE A 16 -2.483 1.189 -10.718 1.00 0.13 H new ATOM 0 HG21 ILE A 16 -1.861 2.510 -8.346 1.00 0.11 H new ATOM 0 HG22 ILE A 16 -3.247 3.264 -7.524 1.00 0.11 H new ATOM 0 HG23 ILE A 16 -2.949 1.519 -7.346 1.00 0.11 H new ATOM 0 HD11 ILE A 16 -2.297 -1.016 -9.695 1.00 0.12 H new ATOM 0 HD12 ILE A 16 -1.816 0.253 -8.543 1.00 0.12 H new ATOM 0 HD13 ILE A 16 -3.412 -0.522 -8.398 1.00 0.12 H new ATOM 56 N PHE A 17 -5.514 3.442 -7.014 1.00 0.09 N ATOM 57 CA PHE A 17 -5.810 4.692 -6.335 1.00 0.09 C ATOM 58 C PHE A 17 -4.721 4.967 -5.301 1.00 0.07 C ATOM 59 O PHE A 17 -4.604 4.235 -4.328 1.00 0.07 O ATOM 60 CB PHE A 17 -7.176 4.595 -5.649 1.00 0.09 C ATOM 61 CG PHE A 17 -8.318 4.482 -6.616 1.00 0.12 C ATOM 62 CD1 PHE A 17 -8.806 5.602 -7.269 1.00 1.11 C ATOM 63 CD2 PHE A 17 -8.898 3.251 -6.878 1.00 1.24 C ATOM 64 CE1 PHE A 17 -9.852 5.497 -8.166 1.00 1.09 C ATOM 65 CE2 PHE A 17 -9.943 3.140 -7.770 1.00 1.28 C ATOM 66 CZ PHE A 17 -10.421 4.263 -8.416 1.00 0.22 C ATOM 0 H PHE A 17 -5.099 2.739 -6.402 1.00 0.09 H new ATOM 0 HA PHE A 17 -5.838 5.508 -7.057 1.00 0.09 H new ATOM 0 HB2 PHE A 17 -7.182 3.729 -4.987 1.00 0.09 H new ATOM 0 HB3 PHE A 17 -7.324 5.475 -5.023 1.00 0.09 H new ATOM 0 HD1 PHE A 17 -8.364 6.568 -7.075 1.00 1.11 H new ATOM 0 HD2 PHE A 17 -8.527 2.369 -6.378 1.00 1.24 H new ATOM 0 HE1 PHE A 17 -10.224 6.377 -8.670 1.00 1.09 H new ATOM 0 HE2 PHE A 17 -10.388 2.175 -7.964 1.00 1.28 H new ATOM 0 HZ PHE A 17 -11.239 4.177 -9.116 1.00 0.22 H new ATOM 76 N TYR A 18 -3.893 5.981 -5.524 1.00 0.07 N ATOM 77 CA TYR A 18 -2.796 6.269 -4.598 1.00 0.06 C ATOM 78 C TYR A 18 -3.246 7.181 -3.464 1.00 0.07 C ATOM 79 O TYR A 18 -3.984 8.145 -3.683 1.00 0.09 O ATOM 80 CB TYR A 18 -1.618 6.911 -5.326 1.00 0.06 C ATOM 81 CG TYR A 18 -1.155 6.130 -6.530 1.00 0.06 C ATOM 82 CD1 TYR A 18 -0.339 5.011 -6.396 1.00 1.19 C ATOM 83 CD2 TYR A 18 -1.538 6.515 -7.802 1.00 1.15 C ATOM 84 CE1 TYR A 18 0.083 4.301 -7.506 1.00 1.20 C ATOM 85 CE2 TYR A 18 -1.127 5.816 -8.911 1.00 1.16 C ATOM 86 CZ TYR A 18 -0.319 4.713 -8.763 1.00 0.09 C ATOM 87 OH TYR A 18 0.092 4.028 -9.878 1.00 0.10 O ATOM 0 H TYR A 18 -3.955 6.611 -6.324 1.00 0.07 H new ATOM 0 HA TYR A 18 -2.480 5.315 -4.175 1.00 0.06 H new ATOM 0 HB2 TYR A 18 -1.900 7.915 -5.641 1.00 0.06 H new ATOM 0 HB3 TYR A 18 -0.786 7.017 -4.630 1.00 0.06 H new ATOM 0 HD1 TYR A 18 -0.031 4.692 -5.411 1.00 1.19 H new ATOM 0 HD2 TYR A 18 -2.172 7.381 -7.926 1.00 1.15 H new ATOM 0 HE1 TYR A 18 0.719 3.435 -7.392 1.00 1.20 H new ATOM 0 HE2 TYR A 18 -1.437 6.132 -9.896 1.00 1.16 H new ATOM 0 HH TYR A 18 -0.283 4.451 -10.679 1.00 0.10 H new ATOM 97 N LEU A 19 -2.781 6.885 -2.253 1.00 0.07 N ATOM 98 CA LEU A 19 -3.099 7.697 -1.086 1.00 0.08 C ATOM 99 C LEU A 19 -1.808 8.167 -0.428 1.00 0.11 C ATOM 100 O LEU A 19 -1.474 7.731 0.671 1.00 0.12 O ATOM 101 CB LEU A 19 -3.902 6.912 -0.036 1.00 0.07 C ATOM 102 CG LEU A 19 -5.189 6.207 -0.489 1.00 0.07 C ATOM 103 CD1 LEU A 19 -6.094 7.145 -1.264 1.00 0.08 C ATOM 104 CD2 LEU A 19 -4.888 4.954 -1.288 1.00 0.08 C ATOM 0 H LEU A 19 -2.180 6.085 -2.056 1.00 0.07 H new ATOM 0 HA LEU A 19 -3.700 8.537 -1.433 1.00 0.08 H new ATOM 0 HB2 LEU A 19 -3.242 6.158 0.393 1.00 0.07 H new ATOM 0 HB3 LEU A 19 -4.164 7.601 0.767 1.00 0.07 H new ATOM 0 HG LEU A 19 -5.722 5.902 0.412 1.00 0.07 H new ATOM 0 HD11 LEU A 19 -6.995 6.612 -1.569 1.00 0.08 H new ATOM 0 HD12 LEU A 19 -6.368 7.990 -0.633 1.00 0.08 H new ATOM 0 HD13 LEU A 19 -5.570 7.508 -2.149 1.00 0.08 H new ATOM 0 HD21 LEU A 19 -5.823 4.482 -1.591 1.00 0.08 H new ATOM 0 HD22 LEU A 19 -4.310 5.217 -2.174 1.00 0.08 H new ATOM 0 HD23 LEU A 19 -4.314 4.260 -0.674 1.00 0.08 H new ATOM 116 N PRO A 20 -1.075 9.085 -1.062 1.00 0.13 N ATOM 117 CA PRO A 20 0.216 9.547 -0.546 1.00 0.16 C ATOM 118 C PRO A 20 0.056 10.549 0.583 1.00 0.22 C ATOM 119 O PRO A 20 1.027 11.131 1.060 1.00 0.28 O ATOM 120 CB PRO A 20 0.834 10.234 -1.750 1.00 0.16 C ATOM 121 CG PRO A 20 -0.335 10.774 -2.499 1.00 0.16 C ATOM 122 CD PRO A 20 -1.433 9.761 -2.325 1.00 0.13 C ATOM 0 HA PRO A 20 0.809 8.730 -0.135 1.00 0.16 H new ATOM 0 HB2 PRO A 20 1.516 11.029 -1.449 1.00 0.16 H new ATOM 0 HB3 PRO A 20 1.408 9.534 -2.357 1.00 0.16 H new ATOM 0 HG2 PRO A 20 -0.634 11.747 -2.109 1.00 0.16 H new ATOM 0 HG3 PRO A 20 -0.094 10.913 -3.553 1.00 0.16 H new ATOM 0 HD2 PRO A 20 -2.412 10.236 -2.263 1.00 0.13 H new ATOM 0 HD3 PRO A 20 -1.470 9.061 -3.159 1.00 0.13 H new ATOM 130 N ASN A 21 -1.178 10.751 1.000 1.00 0.22 N ATOM 131 CA ASN A 21 -1.476 11.775 1.986 1.00 0.27 C ATOM 132 C ASN A 21 -1.666 11.140 3.339 1.00 0.25 C ATOM 133 O ASN A 21 -1.371 11.728 4.373 1.00 0.31 O ATOM 134 CB ASN A 21 -2.739 12.542 1.592 1.00 0.30 C ATOM 135 CG ASN A 21 -2.568 13.321 0.304 1.00 0.54 C ATOM 136 OD1 ASN A 21 -1.461 13.736 -0.042 1.00 1.15 O ATOM 137 ND2 ASN A 21 -3.660 13.543 -0.406 1.00 0.35 N ATOM 0 H ASN A 21 -1.988 10.224 0.675 1.00 0.22 H new ATOM 0 HA ASN A 21 -0.641 12.474 2.029 1.00 0.27 H new ATOM 0 HB2 ASN A 21 -3.566 11.841 1.481 1.00 0.30 H new ATOM 0 HB3 ASN A 21 -3.008 13.228 2.395 1.00 0.30 H new ATOM 0 HD21 ASN A 21 -3.604 14.075 -1.274 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -4.559 13.182 -0.086 1.00 0.35 H new ATOM 144 N LEU A 22 -2.125 9.913 3.301 1.00 0.18 N ATOM 145 CA LEU A 22 -2.535 9.206 4.496 1.00 0.17 C ATOM 146 C LEU A 22 -1.307 8.656 5.206 1.00 0.20 C ATOM 147 O LEU A 22 -0.580 7.841 4.645 1.00 0.35 O ATOM 148 CB LEU A 22 -3.499 8.090 4.083 1.00 0.14 C ATOM 149 CG LEU A 22 -4.584 8.555 3.105 1.00 0.11 C ATOM 150 CD1 LEU A 22 -5.626 7.481 2.848 1.00 0.09 C ATOM 151 CD2 LEU A 22 -5.236 9.823 3.614 1.00 0.11 C ATOM 0 H LEU A 22 -2.226 9.373 2.441 1.00 0.18 H new ATOM 0 HA LEU A 22 -3.045 9.872 5.192 1.00 0.17 H new ATOM 0 HB2 LEU A 22 -2.931 7.280 3.626 1.00 0.14 H new ATOM 0 HB3 LEU A 22 -3.975 7.682 4.975 1.00 0.14 H new ATOM 0 HG LEU A 22 -4.099 8.760 2.151 1.00 0.11 H new ATOM 0 HD11 LEU A 22 -6.373 7.858 2.149 1.00 0.09 H new ATOM 0 HD12 LEU A 22 -5.144 6.600 2.423 1.00 0.09 H new ATOM 0 HD13 LEU A 22 -6.111 7.212 3.787 1.00 0.09 H new ATOM 0 HD21 LEU A 22 -6.005 10.144 2.911 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -5.690 9.634 4.587 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -4.483 10.606 3.711 1.00 0.11 H new ATOM 163 N ASN A 23 -1.057 9.128 6.424 1.00 0.17 N ATOM 164 CA ASN A 23 0.126 8.710 7.172 1.00 0.20 C ATOM 165 C ASN A 23 0.100 7.211 7.410 1.00 0.24 C ATOM 166 O ASN A 23 -0.971 6.611 7.381 1.00 0.34 O ATOM 167 CB ASN A 23 0.246 9.478 8.503 1.00 0.33 C ATOM 168 CG ASN A 23 -0.951 9.325 9.417 1.00 0.66 C ATOM 169 OD1 ASN A 23 -1.928 10.054 9.291 1.00 1.47 O ATOM 170 ND2 ASN A 23 -0.864 8.421 10.376 1.00 0.99 N ATOM 0 H ASN A 23 -1.653 9.796 6.912 1.00 0.17 H new ATOM 0 HA ASN A 23 1.006 8.949 6.575 1.00 0.20 H new ATOM 0 HB2 ASN A 23 1.137 9.135 9.029 1.00 0.33 H new ATOM 0 HB3 ASN A 23 0.391 10.536 8.287 1.00 0.33 H new ATOM 0 HD21 ASN A 23 -1.627 8.311 11.044 1.00 0.99 H new ATOM 0 HD22 ASN A 23 -0.034 7.832 10.448 1.00 0.99 H new ATOM 177 N PRO A 24 1.274 6.582 7.606 1.00 0.22 N ATOM 178 CA PRO A 24 1.399 5.124 7.756 1.00 0.23 C ATOM 179 C PRO A 24 0.292 4.489 8.595 1.00 0.23 C ATOM 180 O PRO A 24 -0.196 3.409 8.267 1.00 0.23 O ATOM 181 CB PRO A 24 2.745 4.991 8.456 1.00 0.25 C ATOM 182 CG PRO A 24 3.553 6.087 7.863 1.00 0.24 C ATOM 183 CD PRO A 24 2.598 7.241 7.679 1.00 0.22 C ATOM 0 HA PRO A 24 1.321 4.609 6.799 1.00 0.23 H new ATOM 0 HB2 PRO A 24 2.649 5.102 9.536 1.00 0.25 H new ATOM 0 HB3 PRO A 24 3.197 4.016 8.275 1.00 0.25 H new ATOM 0 HG2 PRO A 24 4.380 6.363 8.518 1.00 0.24 H new ATOM 0 HG3 PRO A 24 3.988 5.783 6.911 1.00 0.24 H new ATOM 0 HD2 PRO A 24 2.652 7.944 8.511 1.00 0.22 H new ATOM 0 HD3 PRO A 24 2.818 7.804 6.772 1.00 0.22 H new ATOM 191 N ASP A 25 -0.122 5.177 9.651 1.00 0.22 N ATOM 192 CA ASP A 25 -1.155 4.658 10.543 1.00 0.23 C ATOM 193 C ASP A 25 -2.499 4.591 9.823 1.00 0.24 C ATOM 194 O ASP A 25 -3.229 3.608 9.946 1.00 0.27 O ATOM 195 CB ASP A 25 -1.268 5.530 11.792 1.00 0.28 C ATOM 196 CG ASP A 25 -2.284 4.998 12.782 1.00 0.97 C ATOM 197 OD1 ASP A 25 -1.910 4.150 13.621 1.00 1.67 O ATOM 198 OD2 ASP A 25 -3.455 5.432 12.730 1.00 1.66 O ATOM 0 H ASP A 25 0.240 6.094 9.912 1.00 0.22 H new ATOM 0 HA ASP A 25 -0.873 3.650 10.846 1.00 0.23 H new ATOM 0 HB2 ASP A 25 -0.293 5.594 12.276 1.00 0.28 H new ATOM 0 HB3 ASP A 25 -1.546 6.543 11.500 1.00 0.28 H new ATOM 203 N GLN A 26 -2.809 5.634 9.054 1.00 0.23 N ATOM 204 CA GLN A 26 -4.033 5.666 8.256 1.00 0.25 C ATOM 205 C GLN A 26 -3.952 4.637 7.141 1.00 0.25 C ATOM 206 O GLN A 26 -4.856 3.829 6.942 1.00 0.26 O ATOM 207 CB GLN A 26 -4.201 7.035 7.620 1.00 0.26 C ATOM 208 CG GLN A 26 -4.007 8.179 8.582 1.00 0.29 C ATOM 209 CD GLN A 26 -5.233 8.464 9.422 1.00 0.31 C ATOM 210 OE1 GLN A 26 -5.391 7.931 10.517 1.00 0.59 O ATOM 211 NE2 GLN A 26 -6.111 9.304 8.904 1.00 0.21 N ATOM 0 H GLN A 26 -2.229 6.468 8.967 1.00 0.23 H new ATOM 0 HA GLN A 26 -4.876 5.447 8.911 1.00 0.25 H new ATOM 0 HB2 GLN A 26 -3.488 7.135 6.802 1.00 0.26 H new ATOM 0 HB3 GLN A 26 -5.198 7.103 7.184 1.00 0.26 H new ATOM 0 HG2 GLN A 26 -3.168 7.954 9.240 1.00 0.29 H new ATOM 0 HG3 GLN A 26 -3.741 9.076 8.022 1.00 0.29 H new ATOM 0 HE21 GLN A 26 -5.938 9.723 7.990 1.00 0.21 H new ATOM 0 HE22 GLN A 26 -6.962 9.533 9.418 1.00 0.21 H new ATOM 220 N LEU A 27 -2.846 4.703 6.414 1.00 0.24 N ATOM 221 CA LEU A 27 -2.593 3.834 5.274 1.00 0.25 C ATOM 222 C LEU A 27 -2.674 2.354 5.663 1.00 0.23 C ATOM 223 O LEU A 27 -3.292 1.554 4.961 1.00 0.25 O ATOM 224 CB LEU A 27 -1.215 4.180 4.700 1.00 0.28 C ATOM 225 CG LEU A 27 -1.094 4.192 3.178 1.00 0.15 C ATOM 226 CD1 LEU A 27 -2.448 4.060 2.494 1.00 0.17 C ATOM 227 CD2 LEU A 27 -0.415 5.475 2.758 1.00 0.23 C ATOM 0 H LEU A 27 -2.094 5.366 6.600 1.00 0.24 H new ATOM 0 HA LEU A 27 -3.361 3.997 4.518 1.00 0.25 H new ATOM 0 HB2 LEU A 27 -0.927 5.163 5.073 1.00 0.28 H new ATOM 0 HB3 LEU A 27 -0.492 3.466 5.094 1.00 0.28 H new ATOM 0 HG LEU A 27 -0.501 3.331 2.870 1.00 0.15 H new ATOM 0 HD11 LEU A 27 -2.312 4.073 1.413 1.00 0.17 H new ATOM 0 HD12 LEU A 27 -2.915 3.120 2.789 1.00 0.17 H new ATOM 0 HD13 LEU A 27 -3.088 4.892 2.790 1.00 0.17 H new ATOM 0 HD21 LEU A 27 -0.321 5.498 1.672 1.00 0.23 H new ATOM 0 HD22 LEU A 27 -1.009 6.327 3.089 1.00 0.23 H new ATOM 0 HD23 LEU A 27 0.576 5.527 3.209 1.00 0.23 H new ATOM 239 N CYS A 28 -2.064 2.004 6.787 1.00 0.21 N ATOM 240 CA CYS A 28 -2.097 0.631 7.283 1.00 0.22 C ATOM 241 C CYS A 28 -3.516 0.238 7.696 1.00 0.21 C ATOM 242 O CYS A 28 -3.929 -0.913 7.531 1.00 0.22 O ATOM 243 CB CYS A 28 -1.141 0.478 8.467 1.00 0.26 C ATOM 244 SG CYS A 28 -1.035 -1.213 9.136 1.00 0.32 S ATOM 0 H CYS A 28 -1.539 2.651 7.375 1.00 0.21 H new ATOM 0 HA CYS A 28 -1.778 -0.034 6.480 1.00 0.22 H new ATOM 0 HB2 CYS A 28 -0.145 0.796 8.158 1.00 0.26 H new ATOM 0 HB3 CYS A 28 -1.458 1.151 9.263 1.00 0.26 H new ATOM 249 N ALA A 29 -4.265 1.211 8.210 1.00 0.21 N ATOM 250 CA ALA A 29 -5.620 0.974 8.695 1.00 0.22 C ATOM 251 C ALA A 29 -6.550 0.544 7.569 1.00 0.17 C ATOM 252 O ALA A 29 -7.500 -0.209 7.797 1.00 0.18 O ATOM 253 CB ALA A 29 -6.170 2.217 9.378 1.00 0.24 C ATOM 0 H ALA A 29 -3.952 2.178 8.301 1.00 0.21 H new ATOM 0 HA ALA A 29 -5.569 0.162 9.421 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -7.182 2.020 9.733 1.00 0.24 H new ATOM 0 HB2 ALA A 29 -5.534 2.479 10.223 1.00 0.24 H new ATOM 0 HB3 ALA A 29 -6.189 3.044 8.668 1.00 0.24 H new ATOM 259 N PHE A 30 -6.283 1.024 6.357 1.00 0.13 N ATOM 260 CA PHE A 30 -7.148 0.726 5.226 1.00 0.10 C ATOM 261 C PHE A 30 -7.237 -0.781 4.986 1.00 0.09 C ATOM 262 O PHE A 30 -8.318 -1.353 5.100 1.00 0.09 O ATOM 263 CB PHE A 30 -6.635 1.474 3.971 1.00 0.10 C ATOM 264 CG PHE A 30 -7.124 0.955 2.630 1.00 0.07 C ATOM 265 CD1 PHE A 30 -8.306 0.237 2.507 1.00 1.16 C ATOM 266 CD2 PHE A 30 -6.372 1.176 1.485 1.00 1.18 C ATOM 267 CE1 PHE A 30 -8.721 -0.247 1.281 1.00 1.15 C ATOM 268 CE2 PHE A 30 -6.790 0.694 0.261 1.00 1.18 C ATOM 269 CZ PHE A 30 -7.961 -0.016 0.161 1.00 0.06 C ATOM 0 H PHE A 30 -5.482 1.615 6.137 1.00 0.13 H new ATOM 0 HA PHE A 30 -8.157 1.073 5.447 1.00 0.10 H new ATOM 0 HB2 PHE A 30 -6.921 2.522 4.057 1.00 0.10 H new ATOM 0 HB3 PHE A 30 -5.546 1.440 3.974 1.00 0.10 H new ATOM 0 HD1 PHE A 30 -8.910 0.054 3.383 1.00 1.16 H new ATOM 0 HD2 PHE A 30 -5.448 1.732 1.552 1.00 1.18 H new ATOM 0 HE1 PHE A 30 -9.642 -0.806 1.204 1.00 1.15 H new ATOM 0 HE2 PHE A 30 -6.194 0.876 -0.621 1.00 1.18 H new ATOM 0 HZ PHE A 30 -8.284 -0.393 -0.798 1.00 0.06 H new ATOM 279 N PHE A 31 -6.111 -1.442 4.755 1.00 0.10 N ATOM 280 CA PHE A 31 -6.149 -2.856 4.392 1.00 0.10 C ATOM 281 C PHE A 31 -6.417 -3.721 5.612 1.00 0.11 C ATOM 282 O PHE A 31 -6.817 -4.872 5.483 1.00 0.12 O ATOM 283 CB PHE A 31 -4.861 -3.319 3.716 1.00 0.11 C ATOM 284 CG PHE A 31 -4.385 -2.436 2.594 1.00 0.11 C ATOM 285 CD1 PHE A 31 -3.568 -1.342 2.842 1.00 0.94 C ATOM 286 CD2 PHE A 31 -4.745 -2.714 1.287 1.00 0.98 C ATOM 287 CE1 PHE A 31 -3.125 -0.542 1.803 1.00 0.94 C ATOM 288 CE2 PHE A 31 -4.302 -1.922 0.245 1.00 0.98 C ATOM 289 CZ PHE A 31 -3.493 -0.834 0.502 1.00 0.12 C ATOM 0 H PHE A 31 -5.177 -1.035 4.810 1.00 0.10 H new ATOM 0 HA PHE A 31 -6.964 -2.968 3.677 1.00 0.10 H new ATOM 0 HB2 PHE A 31 -4.075 -3.382 4.468 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -5.013 -4.326 3.328 1.00 0.11 H new ATOM 0 HD1 PHE A 31 -3.275 -1.113 3.856 1.00 0.94 H new ATOM 0 HD2 PHE A 31 -5.381 -3.562 1.079 1.00 0.98 H new ATOM 0 HE1 PHE A 31 -2.493 0.309 2.008 1.00 0.94 H new ATOM 0 HE2 PHE A 31 -4.589 -2.154 -0.770 1.00 0.98 H new ATOM 0 HZ PHE A 31 -3.148 -0.212 -0.311 1.00 0.12 H new ATOM 299 N HIS A 32 -6.177 -3.169 6.790 1.00 0.11 N ATOM 300 CA HIS A 32 -6.356 -3.911 8.036 1.00 0.12 C ATOM 301 C HIS A 32 -7.805 -4.376 8.161 1.00 0.12 C ATOM 302 O HIS A 32 -8.079 -5.505 8.563 1.00 0.15 O ATOM 303 CB HIS A 32 -5.971 -3.030 9.231 1.00 0.15 C ATOM 304 CG HIS A 32 -5.837 -3.772 10.529 1.00 0.23 C ATOM 305 ND1 HIS A 32 -4.632 -3.950 11.171 1.00 1.09 N ATOM 306 CD2 HIS A 32 -6.766 -4.361 11.315 1.00 1.05 C ATOM 307 CE1 HIS A 32 -4.826 -4.614 12.293 1.00 0.81 C ATOM 308 NE2 HIS A 32 -6.113 -4.875 12.406 1.00 0.65 N ATOM 0 H HIS A 32 -5.857 -2.208 6.914 1.00 0.11 H new ATOM 0 HA HIS A 32 -5.708 -4.787 8.027 1.00 0.12 H new ATOM 0 HB2 HIS A 32 -5.026 -2.533 9.011 1.00 0.15 H new ATOM 0 HB3 HIS A 32 -6.722 -2.249 9.348 1.00 0.15 H new ATOM 0 HD2 HIS A 32 -7.827 -4.417 11.120 1.00 1.05 H new ATOM 0 HE1 HIS A 32 -4.060 -4.896 13.000 1.00 0.81 H new ATOM 0 HE2 HIS A 32 -6.551 -5.377 13.178 1.00 0.65 H new ATOM 317 N SER A 33 -8.719 -3.490 7.797 1.00 0.11 N ATOM 318 CA SER A 33 -10.142 -3.793 7.805 1.00 0.13 C ATOM 319 C SER A 33 -10.478 -4.663 6.610 1.00 0.12 C ATOM 320 O SER A 33 -11.265 -5.607 6.694 1.00 0.14 O ATOM 321 CB SER A 33 -10.955 -2.495 7.758 1.00 0.15 C ATOM 322 OG SER A 33 -10.680 -1.683 8.889 1.00 0.22 O ATOM 0 H SER A 33 -8.497 -2.544 7.489 1.00 0.11 H new ATOM 0 HA SER A 33 -10.393 -4.328 8.721 1.00 0.13 H new ATOM 0 HB2 SER A 33 -10.719 -1.947 6.846 1.00 0.15 H new ATOM 0 HB3 SER A 33 -12.019 -2.729 7.723 1.00 0.15 H new ATOM 0 HG SER A 33 -11.209 -0.859 8.837 1.00 0.22 H new ATOM 328 N VAL A 34 -9.849 -4.318 5.500 1.00 0.10 N ATOM 329 CA VAL A 34 -10.063 -4.986 4.229 1.00 0.11 C ATOM 330 C VAL A 34 -9.701 -6.458 4.286 1.00 0.13 C ATOM 331 O VAL A 34 -10.489 -7.313 3.927 1.00 0.15 O ATOM 332 CB VAL A 34 -9.214 -4.359 3.117 1.00 0.10 C ATOM 333 CG1 VAL A 34 -9.500 -5.041 1.822 1.00 0.13 C ATOM 334 CG2 VAL A 34 -9.467 -2.890 2.973 1.00 0.08 C ATOM 0 H VAL A 34 -9.169 -3.559 5.456 1.00 0.10 H new ATOM 0 HA VAL A 34 -11.126 -4.871 4.017 1.00 0.11 H new ATOM 0 HB VAL A 34 -8.167 -4.490 3.391 1.00 0.10 H new ATOM 0 HG11 VAL A 34 -8.895 -4.593 1.034 1.00 0.13 H new ATOM 0 HG12 VAL A 34 -9.258 -6.100 1.908 1.00 0.13 H new ATOM 0 HG13 VAL A 34 -10.556 -4.929 1.577 1.00 0.13 H new ATOM 0 HG21 VAL A 34 -8.843 -2.490 2.174 1.00 0.08 H new ATOM 0 HG22 VAL A 34 -10.517 -2.724 2.732 1.00 0.08 H new ATOM 0 HG23 VAL A 34 -9.225 -2.386 3.909 1.00 0.08 H new ATOM 344 N HIS A 35 -8.495 -6.739 4.718 1.00 0.14 N ATOM 345 CA HIS A 35 -7.975 -8.100 4.668 1.00 0.17 C ATOM 346 C HIS A 35 -8.759 -9.020 5.596 1.00 0.18 C ATOM 347 O HIS A 35 -8.866 -10.222 5.350 1.00 0.21 O ATOM 348 CB HIS A 35 -6.479 -8.112 4.978 1.00 0.20 C ATOM 349 CG HIS A 35 -5.865 -9.481 4.969 1.00 0.36 C ATOM 350 ND1 HIS A 35 -5.488 -10.133 3.815 1.00 1.40 N ATOM 351 CD2 HIS A 35 -5.566 -10.325 5.985 1.00 0.85 C ATOM 352 CE1 HIS A 35 -4.990 -11.315 4.122 1.00 1.25 C ATOM 353 NE2 HIS A 35 -5.025 -11.457 5.433 1.00 0.55 N ATOM 0 H HIS A 35 -7.851 -6.051 5.108 1.00 0.14 H new ATOM 0 HA HIS A 35 -8.104 -8.485 3.656 1.00 0.17 H new ATOM 0 HB2 HIS A 35 -5.962 -7.488 4.249 1.00 0.20 H new ATOM 0 HB3 HIS A 35 -6.317 -7.659 5.956 1.00 0.20 H new ATOM 0 HD2 HIS A 35 -5.725 -10.140 7.037 1.00 0.85 H new ATOM 0 HE1 HIS A 35 -4.616 -12.044 3.418 1.00 1.25 H new ATOM 0 HE2 HIS A 35 -4.703 -12.275 5.951 1.00 0.55 H new ATOM 362 N ASP A 36 -9.296 -8.447 6.661 1.00 0.17 N ATOM 363 CA ASP A 36 -10.176 -9.173 7.571 1.00 0.18 C ATOM 364 C ASP A 36 -11.429 -9.659 6.840 1.00 0.19 C ATOM 365 O ASP A 36 -12.025 -10.672 7.209 1.00 0.21 O ATOM 366 CB ASP A 36 -10.560 -8.272 8.750 1.00 0.20 C ATOM 367 CG ASP A 36 -11.590 -8.896 9.677 1.00 0.65 C ATOM 368 OD1 ASP A 36 -12.801 -8.771 9.400 1.00 1.51 O ATOM 369 OD2 ASP A 36 -11.196 -9.493 10.701 1.00 1.26 O ATOM 0 H ASP A 36 -9.138 -7.473 6.920 1.00 0.17 H new ATOM 0 HA ASP A 36 -9.645 -10.047 7.949 1.00 0.18 H new ATOM 0 HB2 ASP A 36 -9.664 -8.034 9.323 1.00 0.20 H new ATOM 0 HB3 ASP A 36 -10.952 -7.330 8.365 1.00 0.20 H new ATOM 374 N ASP A 37 -11.792 -8.948 5.781 1.00 0.19 N ATOM 375 CA ASP A 37 -13.035 -9.195 5.054 1.00 0.24 C ATOM 376 C ASP A 37 -13.036 -8.403 3.753 1.00 0.23 C ATOM 377 O ASP A 37 -13.464 -7.253 3.717 1.00 0.25 O ATOM 378 CB ASP A 37 -14.246 -8.790 5.893 1.00 0.31 C ATOM 379 CG ASP A 37 -15.561 -9.104 5.203 1.00 0.53 C ATOM 380 OD1 ASP A 37 -16.063 -10.237 5.357 1.00 1.28 O ATOM 381 OD2 ASP A 37 -16.106 -8.217 4.516 1.00 1.18 O ATOM 0 H ASP A 37 -11.235 -8.183 5.400 1.00 0.19 H new ATOM 0 HA ASP A 37 -13.099 -10.262 4.839 1.00 0.24 H new ATOM 0 HB2 ASP A 37 -14.210 -9.308 6.852 1.00 0.31 H new ATOM 0 HB3 ASP A 37 -14.196 -7.722 6.105 1.00 0.31 H new ATOM 386 N PRO A 38 -12.532 -8.999 2.671 1.00 0.23 N ATOM 387 CA PRO A 38 -12.349 -8.310 1.381 1.00 0.25 C ATOM 388 C PRO A 38 -13.666 -7.882 0.720 1.00 0.29 C ATOM 389 O PRO A 38 -13.671 -7.364 -0.398 1.00 0.34 O ATOM 390 CB PRO A 38 -11.619 -9.353 0.524 1.00 0.28 C ATOM 391 CG PRO A 38 -11.043 -10.305 1.516 1.00 0.28 C ATOM 392 CD PRO A 38 -12.059 -10.385 2.608 1.00 0.26 C ATOM 0 HA PRO A 38 -11.803 -7.375 1.504 1.00 0.25 H new ATOM 0 HB2 PRO A 38 -12.303 -9.856 -0.159 1.00 0.28 H new ATOM 0 HB3 PRO A 38 -10.841 -8.893 -0.085 1.00 0.28 H new ATOM 0 HG2 PRO A 38 -10.867 -11.283 1.068 1.00 0.28 H new ATOM 0 HG3 PRO A 38 -10.084 -9.950 1.894 1.00 0.28 H new ATOM 0 HD2 PRO A 38 -12.863 -11.082 2.370 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -11.622 -10.712 3.551 1.00 0.26 H new ATOM 400 N SER A 39 -14.776 -8.110 1.398 1.00 0.28 N ATOM 401 CA SER A 39 -16.069 -7.678 0.905 1.00 0.33 C ATOM 402 C SER A 39 -16.273 -6.167 1.118 1.00 0.36 C ATOM 403 O SER A 39 -17.204 -5.582 0.564 1.00 0.59 O ATOM 404 CB SER A 39 -17.180 -8.479 1.590 1.00 0.34 C ATOM 405 OG SER A 39 -18.439 -8.255 0.977 1.00 1.19 O ATOM 0 H SER A 39 -14.807 -8.594 2.295 1.00 0.28 H new ATOM 0 HA SER A 39 -16.108 -7.864 -0.168 1.00 0.33 H new ATOM 0 HB2 SER A 39 -16.940 -9.542 1.552 1.00 0.34 H new ATOM 0 HB3 SER A 39 -17.233 -8.202 2.643 1.00 0.34 H new ATOM 0 HG SER A 39 -18.424 -7.398 0.502 1.00 1.19 H new ATOM 411 N GLN A 40 -15.404 -5.531 1.912 1.00 0.22 N ATOM 412 CA GLN A 40 -15.568 -4.113 2.234 1.00 0.21 C ATOM 413 C GLN A 40 -14.435 -3.262 1.681 1.00 0.16 C ATOM 414 O GLN A 40 -14.435 -2.047 1.832 1.00 0.16 O ATOM 415 CB GLN A 40 -15.648 -3.931 3.740 1.00 0.23 C ATOM 416 CG GLN A 40 -14.555 -4.670 4.506 1.00 0.21 C ATOM 417 CD GLN A 40 -14.963 -4.941 5.940 1.00 0.67 C ATOM 418 OE1 GLN A 40 -14.707 -4.128 6.826 1.00 1.09 O ATOM 419 NE2 GLN A 40 -15.615 -6.062 6.178 1.00 0.97 N ATOM 0 H GLN A 40 -14.589 -5.972 2.338 1.00 0.22 H new ATOM 0 HA GLN A 40 -16.494 -3.780 1.765 1.00 0.21 H new ATOM 0 HB2 GLN A 40 -15.587 -2.868 3.972 1.00 0.23 H new ATOM 0 HB3 GLN A 40 -16.621 -4.278 4.088 1.00 0.23 H new ATOM 0 HG2 GLN A 40 -14.334 -5.613 4.006 1.00 0.21 H new ATOM 0 HG3 GLN A 40 -13.639 -4.080 4.493 1.00 0.21 H new ATOM 0 HE21 GLN A 40 -15.808 -6.711 5.415 1.00 0.97 H new ATOM 0 HE22 GLN A 40 -15.926 -6.280 7.125 1.00 0.97 H new ATOM 428 N SER A 41 -13.484 -3.920 1.060 1.00 0.15 N ATOM 429 CA SER A 41 -12.317 -3.295 0.473 1.00 0.13 C ATOM 430 C SER A 41 -12.657 -2.057 -0.346 1.00 0.11 C ATOM 431 O SER A 41 -12.024 -1.031 -0.177 1.00 0.11 O ATOM 432 CB SER A 41 -11.610 -4.312 -0.403 1.00 0.18 C ATOM 433 OG SER A 41 -11.832 -5.621 0.071 1.00 0.82 O ATOM 0 H SER A 41 -13.499 -4.933 0.945 1.00 0.15 H new ATOM 0 HA SER A 41 -11.672 -2.964 1.287 1.00 0.13 H new ATOM 0 HB2 SER A 41 -11.968 -4.226 -1.429 1.00 0.18 H new ATOM 0 HB3 SER A 41 -10.540 -4.103 -0.420 1.00 0.18 H new ATOM 0 HG SER A 41 -12.432 -6.094 -0.543 1.00 0.82 H new ATOM 439 N ALA A 42 -13.650 -2.151 -1.223 1.00 0.13 N ATOM 440 CA ALA A 42 -14.038 -1.014 -2.058 1.00 0.13 C ATOM 441 C ALA A 42 -14.544 0.140 -1.199 1.00 0.12 C ATOM 442 O ALA A 42 -14.240 1.302 -1.457 1.00 0.12 O ATOM 443 CB ALA A 42 -15.095 -1.427 -3.065 1.00 0.18 C ATOM 0 H ALA A 42 -14.200 -2.996 -1.376 1.00 0.13 H new ATOM 0 HA ALA A 42 -13.156 -0.676 -2.602 1.00 0.13 H new ATOM 0 HB1 ALA A 42 -15.370 -0.568 -3.677 1.00 0.18 H new ATOM 0 HB2 ALA A 42 -14.699 -2.216 -3.705 1.00 0.18 H new ATOM 0 HB3 ALA A 42 -15.976 -1.795 -2.538 1.00 0.18 H new ATOM 449 N ASN A 43 -15.300 -0.202 -0.165 1.00 0.12 N ATOM 450 CA ASN A 43 -15.800 0.777 0.803 1.00 0.13 C ATOM 451 C ASN A 43 -14.636 1.423 1.505 1.00 0.10 C ATOM 452 O ASN A 43 -14.604 2.629 1.752 1.00 0.11 O ATOM 453 CB ASN A 43 -16.652 0.093 1.877 1.00 0.16 C ATOM 454 CG ASN A 43 -17.873 -0.597 1.324 1.00 0.18 C ATOM 455 OD1 ASN A 43 -18.941 0.001 1.200 1.00 0.20 O ATOM 456 ND2 ASN A 43 -17.724 -1.864 1.007 1.00 0.20 N ATOM 0 H ASN A 43 -15.586 -1.161 0.030 1.00 0.12 H new ATOM 0 HA ASN A 43 -16.397 1.510 0.261 1.00 0.13 H new ATOM 0 HB2 ASN A 43 -16.039 -0.637 2.405 1.00 0.16 H new ATOM 0 HB3 ASN A 43 -16.965 0.837 2.610 1.00 0.16 H new ATOM 0 HD21 ASN A 43 -18.514 -2.394 0.640 1.00 0.20 H new ATOM 0 HD22 ASN A 43 -16.818 -2.317 1.128 1.00 0.20 H new ATOM 463 N LEU A 44 -13.690 0.576 1.830 1.00 0.09 N ATOM 464 CA LEU A 44 -12.550 0.942 2.622 1.00 0.08 C ATOM 465 C LEU A 44 -11.627 1.827 1.815 1.00 0.07 C ATOM 466 O LEU A 44 -11.141 2.863 2.270 1.00 0.08 O ATOM 467 CB LEU A 44 -11.842 -0.331 3.068 1.00 0.08 C ATOM 468 CG LEU A 44 -12.168 -0.801 4.480 1.00 0.10 C ATOM 469 CD1 LEU A 44 -13.441 -0.168 5.014 1.00 0.12 C ATOM 470 CD2 LEU A 44 -12.308 -2.296 4.473 1.00 0.12 C ATOM 0 H LEU A 44 -13.694 -0.403 1.545 1.00 0.09 H new ATOM 0 HA LEU A 44 -12.862 1.503 3.503 1.00 0.08 H new ATOM 0 HB2 LEU A 44 -12.094 -1.130 2.370 1.00 0.08 H new ATOM 0 HB3 LEU A 44 -10.766 -0.172 2.996 1.00 0.08 H new ATOM 0 HG LEU A 44 -11.354 -0.494 5.138 1.00 0.10 H new ATOM 0 HD11 LEU A 44 -13.633 -0.533 6.023 1.00 0.12 H new ATOM 0 HD12 LEU A 44 -13.327 0.916 5.035 1.00 0.12 H new ATOM 0 HD13 LEU A 44 -14.278 -0.432 4.367 1.00 0.12 H new ATOM 0 HD21 LEU A 44 -12.542 -2.644 5.479 1.00 0.12 H new ATOM 0 HD22 LEU A 44 -13.111 -2.583 3.794 1.00 0.12 H new ATOM 0 HD23 LEU A 44 -11.373 -2.747 4.141 1.00 0.12 H new ATOM 482 N LEU A 45 -11.412 1.364 0.609 1.00 0.07 N ATOM 483 CA LEU A 45 -10.669 2.050 -0.423 1.00 0.07 C ATOM 484 C LEU A 45 -11.282 3.433 -0.640 1.00 0.07 C ATOM 485 O LEU A 45 -10.583 4.431 -0.709 1.00 0.08 O ATOM 486 CB LEU A 45 -10.815 1.168 -1.654 1.00 0.07 C ATOM 487 CG LEU A 45 -9.931 1.419 -2.874 1.00 0.08 C ATOM 488 CD1 LEU A 45 -10.788 1.284 -4.101 1.00 0.08 C ATOM 489 CD2 LEU A 45 -9.205 2.755 -2.841 1.00 0.08 C ATOM 0 H LEU A 45 -11.766 0.457 0.304 1.00 0.07 H new ATOM 0 HA LEU A 45 -9.619 2.205 -0.177 1.00 0.07 H new ATOM 0 HB2 LEU A 45 -10.649 0.138 -1.338 1.00 0.07 H new ATOM 0 HB3 LEU A 45 -11.852 1.237 -1.983 1.00 0.07 H new ATOM 0 HG LEU A 45 -9.133 0.677 -2.879 1.00 0.08 H new ATOM 0 HD11 LEU A 45 -10.181 1.459 -4.990 1.00 0.08 H new ATOM 0 HD12 LEU A 45 -11.210 0.280 -4.141 1.00 0.08 H new ATOM 0 HD13 LEU A 45 -11.595 2.016 -4.063 1.00 0.08 H new ATOM 0 HD21 LEU A 45 -8.598 2.861 -3.740 1.00 0.08 H new ATOM 0 HD22 LEU A 45 -9.934 3.564 -2.798 1.00 0.08 H new ATOM 0 HD23 LEU A 45 -8.562 2.798 -1.962 1.00 0.08 H new ATOM 501 N ALA A 46 -12.601 3.465 -0.732 1.00 0.08 N ATOM 502 CA ALA A 46 -13.355 4.701 -0.851 1.00 0.09 C ATOM 503 C ALA A 46 -13.027 5.693 0.258 1.00 0.09 C ATOM 504 O ALA A 46 -12.760 6.847 -0.012 1.00 0.11 O ATOM 505 CB ALA A 46 -14.819 4.364 -0.815 1.00 0.10 C ATOM 0 H ALA A 46 -13.183 2.627 -0.726 1.00 0.08 H new ATOM 0 HA ALA A 46 -13.084 5.180 -1.792 1.00 0.09 H new ATOM 0 HB1 ALA A 46 -15.405 5.279 -0.903 1.00 0.10 H new ATOM 0 HB2 ALA A 46 -15.059 3.698 -1.644 1.00 0.10 H new ATOM 0 HB3 ALA A 46 -15.056 3.871 0.128 1.00 0.10 H new ATOM 511 N GLU A 47 -13.053 5.233 1.502 1.00 0.09 N ATOM 512 CA GLU A 47 -12.749 6.059 2.646 1.00 0.10 C ATOM 513 C GLU A 47 -11.282 6.434 2.631 1.00 0.09 C ATOM 514 O GLU A 47 -10.894 7.459 3.165 1.00 0.09 O ATOM 515 CB GLU A 47 -13.116 5.331 3.937 1.00 0.11 C ATOM 516 CG GLU A 47 -14.582 4.935 3.989 1.00 0.16 C ATOM 517 CD GLU A 47 -15.243 5.314 5.293 1.00 0.31 C ATOM 518 OE1 GLU A 47 -15.691 6.471 5.416 1.00 1.13 O ATOM 519 OE2 GLU A 47 -15.329 4.457 6.193 1.00 1.19 O ATOM 0 H GLU A 47 -13.288 4.269 1.739 1.00 0.09 H new ATOM 0 HA GLU A 47 -13.340 6.974 2.597 1.00 0.10 H new ATOM 0 HB2 GLU A 47 -12.499 4.438 4.034 1.00 0.11 H new ATOM 0 HB3 GLU A 47 -12.886 5.971 4.789 1.00 0.11 H new ATOM 0 HG2 GLU A 47 -15.112 5.413 3.165 1.00 0.16 H new ATOM 0 HG3 GLU A 47 -14.669 3.858 3.842 1.00 0.16 H new ATOM 526 N ALA A 48 -10.473 5.583 2.018 1.00 0.08 N ATOM 527 CA ALA A 48 -9.073 5.888 1.777 1.00 0.08 C ATOM 528 C ALA A 48 -8.954 7.008 0.747 1.00 0.08 C ATOM 529 O ALA A 48 -8.184 7.949 0.923 1.00 0.08 O ATOM 530 CB ALA A 48 -8.346 4.640 1.304 1.00 0.08 C ATOM 0 H ALA A 48 -10.767 4.668 1.676 1.00 0.08 H new ATOM 0 HA ALA A 48 -8.612 6.225 2.706 1.00 0.08 H new ATOM 0 HB1 ALA A 48 -7.297 4.876 1.125 1.00 0.08 H new ATOM 0 HB2 ALA A 48 -8.419 3.865 2.067 1.00 0.08 H new ATOM 0 HB3 ALA A 48 -8.800 4.283 0.380 1.00 0.08 H new ATOM 536 N LYS A 49 -9.767 6.915 -0.303 1.00 0.08 N ATOM 537 CA LYS A 49 -9.793 7.907 -1.375 1.00 0.09 C ATOM 538 C LYS A 49 -10.320 9.200 -0.807 1.00 0.10 C ATOM 539 O LYS A 49 -9.775 10.283 -1.007 1.00 0.13 O ATOM 540 CB LYS A 49 -10.742 7.452 -2.489 1.00 0.09 C ATOM 541 CG LYS A 49 -10.314 6.213 -3.245 1.00 0.09 C ATOM 542 CD LYS A 49 -11.541 5.419 -3.659 1.00 0.09 C ATOM 543 CE LYS A 49 -11.341 4.684 -4.959 1.00 0.10 C ATOM 544 NZ LYS A 49 -12.622 4.151 -5.495 1.00 0.71 N ATOM 0 H LYS A 49 -10.427 6.149 -0.434 1.00 0.08 H new ATOM 0 HA LYS A 49 -8.789 8.032 -1.780 1.00 0.09 H new ATOM 0 HB2 LYS A 49 -11.724 7.269 -2.053 1.00 0.09 H new ATOM 0 HB3 LYS A 49 -10.856 8.269 -3.201 1.00 0.09 H new ATOM 0 HG2 LYS A 49 -9.736 6.494 -4.125 1.00 0.09 H new ATOM 0 HG3 LYS A 49 -9.665 5.599 -2.620 1.00 0.09 H new ATOM 0 HD2 LYS A 49 -11.788 4.703 -2.875 1.00 0.09 H new ATOM 0 HD3 LYS A 49 -12.392 6.094 -3.754 1.00 0.09 H new ATOM 0 HE2 LYS A 49 -10.892 5.356 -5.691 1.00 0.10 H new ATOM 0 HE3 LYS A 49 -10.640 3.863 -4.808 1.00 0.10 H new ATOM 0 HZ1 LYS A 49 -12.443 3.652 -6.390 1.00 0.71 H new ATOM 0 HZ2 LYS A 49 -13.038 3.491 -4.808 1.00 0.71 H new ATOM 0 HZ3 LYS A 49 -13.282 4.937 -5.663 1.00 0.71 H new ATOM 558 N LYS A 50 -11.400 9.025 -0.089 1.00 0.11 N ATOM 559 CA LYS A 50 -12.090 10.067 0.616 1.00 0.12 C ATOM 560 C LYS A 50 -11.168 10.749 1.596 1.00 0.12 C ATOM 561 O LYS A 50 -11.147 11.961 1.689 1.00 0.15 O ATOM 562 CB LYS A 50 -13.265 9.422 1.338 1.00 0.14 C ATOM 563 CG LYS A 50 -13.692 10.150 2.605 1.00 0.17 C ATOM 564 CD LYS A 50 -14.610 9.305 3.467 1.00 0.27 C ATOM 565 CE LYS A 50 -15.607 8.540 2.621 1.00 1.06 C ATOM 566 NZ LYS A 50 -16.677 7.916 3.440 1.00 1.19 N ATOM 0 H LYS A 50 -11.839 8.111 0.023 1.00 0.11 H new ATOM 0 HA LYS A 50 -12.441 10.832 -0.077 1.00 0.12 H new ATOM 0 HB2 LYS A 50 -14.114 9.373 0.656 1.00 0.14 H new ATOM 0 HB3 LYS A 50 -13.002 8.395 1.593 1.00 0.14 H new ATOM 0 HG2 LYS A 50 -12.808 10.425 3.180 1.00 0.17 H new ATOM 0 HG3 LYS A 50 -14.199 11.077 2.337 1.00 0.17 H new ATOM 0 HD2 LYS A 50 -14.017 8.606 4.057 1.00 0.27 H new ATOM 0 HD3 LYS A 50 -15.142 9.944 4.171 1.00 0.27 H new ATOM 0 HE2 LYS A 50 -16.056 9.215 1.893 1.00 1.06 H new ATOM 0 HE3 LYS A 50 -15.085 7.766 2.058 1.00 1.06 H new ATOM 0 HZ1 LYS A 50 -17.136 7.160 2.893 1.00 1.19 H new ATOM 0 HZ2 LYS A 50 -16.262 7.515 4.305 1.00 1.19 H new ATOM 0 HZ3 LYS A 50 -17.383 8.636 3.696 1.00 1.19 H new ATOM 580 N LEU A 51 -10.427 9.950 2.331 1.00 0.11 N ATOM 581 CA LEU A 51 -9.446 10.450 3.276 1.00 0.12 C ATOM 582 C LEU A 51 -8.360 11.220 2.574 1.00 0.12 C ATOM 583 O LEU A 51 -8.025 12.339 2.947 1.00 0.13 O ATOM 584 CB LEU A 51 -8.815 9.294 3.999 1.00 0.11 C ATOM 585 CG LEU A 51 -8.057 9.653 5.255 1.00 0.12 C ATOM 586 CD1 LEU A 51 -8.919 10.509 6.160 1.00 0.15 C ATOM 587 CD2 LEU A 51 -7.619 8.373 5.931 1.00 0.12 C ATOM 0 H LEU A 51 -10.486 8.932 2.292 1.00 0.11 H new ATOM 0 HA LEU A 51 -9.957 11.112 3.975 1.00 0.12 H new ATOM 0 HB2 LEU A 51 -9.596 8.579 4.258 1.00 0.11 H new ATOM 0 HB3 LEU A 51 -8.133 8.788 3.315 1.00 0.11 H new ATOM 0 HG LEU A 51 -7.172 10.241 5.014 1.00 0.12 H new ATOM 0 HD11 LEU A 51 -8.361 10.761 7.062 1.00 0.15 H new ATOM 0 HD12 LEU A 51 -9.198 11.424 5.638 1.00 0.15 H new ATOM 0 HD13 LEU A 51 -9.819 9.958 6.432 1.00 0.15 H new ATOM 0 HD21 LEU A 51 -7.069 8.612 6.841 1.00 0.12 H new ATOM 0 HD22 LEU A 51 -8.496 7.776 6.183 1.00 0.12 H new ATOM 0 HD23 LEU A 51 -6.976 7.807 5.257 1.00 0.12 H new ATOM 599 N ASN A 52 -7.807 10.581 1.567 1.00 0.11 N ATOM 600 CA ASN A 52 -6.797 11.191 0.712 1.00 0.11 C ATOM 601 C ASN A 52 -7.279 12.545 0.238 1.00 0.13 C ATOM 602 O ASN A 52 -6.515 13.491 0.139 1.00 0.15 O ATOM 603 CB ASN A 52 -6.523 10.277 -0.481 1.00 0.12 C ATOM 604 CG ASN A 52 -5.913 10.986 -1.670 1.00 0.16 C ATOM 605 OD1 ASN A 52 -6.619 11.458 -2.559 1.00 0.20 O ATOM 606 ND2 ASN A 52 -4.603 11.069 -1.693 1.00 0.19 N ATOM 0 H ASN A 52 -8.041 9.621 1.312 1.00 0.11 H new ATOM 0 HA ASN A 52 -5.874 11.327 1.275 1.00 0.11 H new ATOM 0 HB2 ASN A 52 -5.854 9.476 -0.166 1.00 0.12 H new ATOM 0 HB3 ASN A 52 -7.458 9.809 -0.790 1.00 0.12 H new ATOM 0 HD21 ASN A 52 -4.135 11.538 -2.468 1.00 0.19 H new ATOM 0 HD22 ASN A 52 -4.053 10.664 -0.935 1.00 0.19 H new ATOM 613 N ASP A 53 -8.567 12.597 -0.022 1.00 0.14 N ATOM 614 CA ASP A 53 -9.257 13.788 -0.492 1.00 0.17 C ATOM 615 C ASP A 53 -9.529 14.741 0.656 1.00 0.19 C ATOM 616 O ASP A 53 -9.429 15.959 0.519 1.00 0.22 O ATOM 617 CB ASP A 53 -10.573 13.373 -1.160 1.00 0.17 C ATOM 618 CG ASP A 53 -11.436 14.546 -1.566 1.00 0.71 C ATOM 619 OD1 ASP A 53 -11.145 15.175 -2.606 1.00 1.53 O ATOM 620 OD2 ASP A 53 -12.427 14.826 -0.858 1.00 1.34 O ATOM 0 H ASP A 53 -9.184 11.792 0.089 1.00 0.14 H new ATOM 0 HA ASP A 53 -8.625 14.305 -1.214 1.00 0.17 H new ATOM 0 HB2 ASP A 53 -10.351 12.773 -2.042 1.00 0.17 H new ATOM 0 HB3 ASP A 53 -11.135 12.738 -0.475 1.00 0.17 H new ATOM 625 N ALA A 54 -9.857 14.154 1.794 1.00 0.18 N ATOM 626 CA ALA A 54 -10.304 14.881 2.958 1.00 0.21 C ATOM 627 C ALA A 54 -9.196 15.730 3.509 1.00 0.24 C ATOM 628 O ALA A 54 -9.401 16.885 3.877 1.00 0.28 O ATOM 629 CB ALA A 54 -10.755 13.902 4.026 1.00 0.20 C ATOM 0 H ALA A 54 -9.818 13.144 1.932 1.00 0.18 H new ATOM 0 HA ALA A 54 -11.133 15.525 2.666 1.00 0.21 H new ATOM 0 HB1 ALA A 54 -11.092 14.452 4.905 1.00 0.20 H new ATOM 0 HB2 ALA A 54 -11.575 13.295 3.641 1.00 0.20 H new ATOM 0 HB3 ALA A 54 -9.922 13.254 4.301 1.00 0.20 H new ATOM 635 N GLN A 55 -8.016 15.150 3.560 1.00 0.22 N ATOM 636 CA GLN A 55 -6.900 15.844 4.174 1.00 0.25 C ATOM 637 C GLN A 55 -5.912 16.382 3.149 1.00 0.25 C ATOM 638 O GLN A 55 -5.232 17.363 3.438 1.00 0.28 O ATOM 639 CB GLN A 55 -6.180 14.906 5.131 1.00 0.25 C ATOM 640 CG GLN A 55 -5.864 13.560 4.510 1.00 0.20 C ATOM 641 CD GLN A 55 -4.796 12.824 5.273 1.00 0.19 C ATOM 642 OE1 GLN A 55 -3.611 13.018 5.027 1.00 0.22 O ATOM 643 NE2 GLN A 55 -5.202 11.952 6.174 1.00 0.17 N ATOM 0 H GLN A 55 -7.805 14.222 3.194 1.00 0.22 H new ATOM 0 HA GLN A 55 -7.307 16.699 4.713 1.00 0.25 H new ATOM 0 HB2 GLN A 55 -5.253 15.374 5.463 1.00 0.25 H new ATOM 0 HB3 GLN A 55 -6.796 14.756 6.017 1.00 0.25 H new ATOM 0 HG2 GLN A 55 -6.769 12.954 4.478 1.00 0.20 H new ATOM 0 HG3 GLN A 55 -5.540 13.703 3.479 1.00 0.20 H new ATOM 0 HE21 GLN A 55 -6.199 11.823 6.346 1.00 0.17 H new ATOM 0 HE22 GLN A 55 -4.519 11.406 6.699 1.00 0.17 H new ATOM 652 N ALA A 56 -5.880 15.746 1.962 1.00 0.24 N ATOM 653 CA ALA A 56 -4.972 16.080 0.844 1.00 0.25 C ATOM 654 C ALA A 56 -4.108 17.321 1.067 1.00 0.31 C ATOM 655 O ALA A 56 -4.438 18.415 0.608 1.00 0.35 O ATOM 656 CB ALA A 56 -5.757 16.204 -0.447 1.00 0.26 C ATOM 0 H ALA A 56 -6.500 14.965 1.747 1.00 0.24 H new ATOM 0 HA ALA A 56 -4.268 15.250 0.781 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -5.078 16.450 -1.263 1.00 0.26 H new ATOM 0 HB2 ALA A 56 -6.255 15.259 -0.662 1.00 0.26 H new ATOM 0 HB3 ALA A 56 -6.503 16.992 -0.345 1.00 0.26 H new ATOM 714 N GLY B 14 8.045 6.688 -11.398 1.00 0.21 N ATOM 715 CA GLY B 14 6.889 5.810 -11.289 1.00 0.21 C ATOM 716 C GLY B 14 7.108 4.401 -11.825 1.00 0.19 C ATOM 717 O GLY B 14 6.714 4.097 -12.953 1.00 0.28 O ATOM 0 HA2 GLY B 14 6.597 5.744 -10.241 1.00 0.21 H new ATOM 0 HA3 GLY B 14 6.054 6.262 -11.825 1.00 0.21 H new ATOM 721 N GLU B 15 7.737 3.533 -11.033 1.00 0.15 N ATOM 722 CA GLU B 15 7.740 2.118 -11.336 1.00 0.15 C ATOM 723 C GLU B 15 6.736 1.452 -10.401 1.00 0.14 C ATOM 724 O GLU B 15 6.838 1.573 -9.183 1.00 0.22 O ATOM 725 CB GLU B 15 9.159 1.522 -11.192 1.00 0.18 C ATOM 726 CG GLU B 15 9.388 0.724 -9.927 1.00 0.86 C ATOM 727 CD GLU B 15 10.053 -0.615 -10.163 1.00 1.08 C ATOM 728 OE1 GLU B 15 9.355 -1.580 -10.531 1.00 1.76 O ATOM 729 OE2 GLU B 15 11.282 -0.714 -9.970 1.00 1.45 O ATOM 0 H GLU B 15 8.244 3.790 -10.186 1.00 0.15 H new ATOM 0 HA GLU B 15 7.449 1.942 -12.372 1.00 0.15 H new ATOM 0 HB2 GLU B 15 9.357 0.880 -12.050 1.00 0.18 H new ATOM 0 HB3 GLU B 15 9.884 2.335 -11.228 1.00 0.18 H new ATOM 0 HG2 GLU B 15 10.004 1.310 -9.245 1.00 0.86 H new ATOM 0 HG3 GLU B 15 8.430 0.562 -9.432 1.00 0.86 H new ATOM 736 N ILE B 16 5.723 0.816 -10.945 1.00 0.12 N ATOM 737 CA ILE B 16 4.705 0.232 -10.097 1.00 0.11 C ATOM 738 C ILE B 16 5.149 -1.114 -9.555 1.00 0.12 C ATOM 739 O ILE B 16 5.710 -1.939 -10.277 1.00 0.16 O ATOM 740 CB ILE B 16 3.350 0.078 -10.810 1.00 0.11 C ATOM 741 CG1 ILE B 16 2.571 1.401 -10.770 1.00 0.11 C ATOM 742 CG2 ILE B 16 2.557 -1.029 -10.134 1.00 0.12 C ATOM 743 CD1 ILE B 16 1.759 1.591 -9.509 1.00 0.11 C ATOM 0 H ILE B 16 5.581 0.691 -11.947 1.00 0.12 H new ATOM 0 HA ILE B 16 4.567 0.929 -9.271 1.00 0.11 H new ATOM 0 HB ILE B 16 3.516 -0.183 -11.855 1.00 0.11 H new ATOM 0 HG12 ILE B 16 3.273 2.229 -10.867 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.904 1.446 -11.631 1.00 0.11 H new ATOM 0 HG21 ILE B 16 1.595 -1.145 -10.633 1.00 0.12 H new ATOM 0 HG22 ILE B 16 3.113 -1.965 -10.196 1.00 0.12 H new ATOM 0 HG23 ILE B 16 2.394 -0.773 -9.087 1.00 0.12 H new ATOM 0 HD11 ILE B 16 1.237 2.547 -9.553 1.00 0.11 H new ATOM 0 HD12 ILE B 16 1.032 0.784 -9.420 1.00 0.11 H new ATOM 0 HD13 ILE B 16 2.422 1.579 -8.644 1.00 0.11 H new ATOM 755 N PHE B 17 4.886 -1.322 -8.280 1.00 0.11 N ATOM 756 CA PHE B 17 5.215 -2.566 -7.626 1.00 0.11 C ATOM 757 C PHE B 17 4.052 -3.046 -6.766 1.00 0.11 C ATOM 758 O PHE B 17 3.451 -2.266 -6.033 1.00 0.11 O ATOM 759 CB PHE B 17 6.496 -2.390 -6.815 1.00 0.12 C ATOM 760 CG PHE B 17 6.543 -1.152 -5.951 1.00 0.11 C ATOM 761 CD1 PHE B 17 6.073 -1.171 -4.645 1.00 1.11 C ATOM 762 CD2 PHE B 17 7.101 0.021 -6.440 1.00 1.09 C ATOM 763 CE1 PHE B 17 6.154 -0.042 -3.847 1.00 1.11 C ATOM 764 CE2 PHE B 17 7.196 1.148 -5.648 1.00 1.10 C ATOM 765 CZ PHE B 17 6.721 1.122 -4.349 1.00 0.10 C ATOM 0 H PHE B 17 4.440 -0.634 -7.673 1.00 0.11 H new ATOM 0 HA PHE B 17 5.392 -3.338 -8.375 1.00 0.11 H new ATOM 0 HB2 PHE B 17 6.627 -3.264 -6.177 1.00 0.12 H new ATOM 0 HB3 PHE B 17 7.342 -2.367 -7.502 1.00 0.12 H new ATOM 0 HD1 PHE B 17 5.639 -2.076 -4.247 1.00 1.11 H new ATOM 0 HD2 PHE B 17 7.467 0.053 -7.456 1.00 1.09 H new ATOM 0 HE1 PHE B 17 5.777 -0.067 -2.835 1.00 1.11 H new ATOM 0 HE2 PHE B 17 7.641 2.050 -6.043 1.00 1.10 H new ATOM 0 HZ PHE B 17 6.791 2.003 -3.728 1.00 0.10 H new ATOM 775 N TYR B 18 3.725 -4.326 -6.874 1.00 0.11 N ATOM 776 CA TYR B 18 2.567 -4.874 -6.190 1.00 0.10 C ATOM 777 C TYR B 18 2.982 -5.697 -4.986 1.00 0.09 C ATOM 778 O TYR B 18 3.939 -6.470 -5.039 1.00 0.09 O ATOM 779 CB TYR B 18 1.736 -5.735 -7.139 1.00 0.12 C ATOM 780 CG TYR B 18 1.083 -4.952 -8.252 1.00 0.09 C ATOM 781 CD1 TYR B 18 -0.041 -4.174 -8.010 1.00 1.17 C ATOM 782 CD2 TYR B 18 1.588 -4.993 -9.541 1.00 1.17 C ATOM 783 CE1 TYR B 18 -0.652 -3.462 -9.022 1.00 1.15 C ATOM 784 CE2 TYR B 18 0.990 -4.283 -10.563 1.00 1.20 C ATOM 785 CZ TYR B 18 -0.132 -3.521 -10.301 1.00 0.12 C ATOM 786 OH TYR B 18 -0.732 -2.819 -11.321 1.00 0.18 O ATOM 0 H TYR B 18 4.247 -5.003 -7.430 1.00 0.11 H new ATOM 0 HA TYR B 18 1.961 -4.035 -5.847 1.00 0.10 H new ATOM 0 HB2 TYR B 18 2.376 -6.503 -7.574 1.00 0.12 H new ATOM 0 HB3 TYR B 18 0.964 -6.250 -6.567 1.00 0.12 H new ATOM 0 HD1 TYR B 18 -0.445 -4.125 -7.010 1.00 1.17 H new ATOM 0 HD2 TYR B 18 2.463 -5.590 -9.750 1.00 1.17 H new ATOM 0 HE1 TYR B 18 -1.528 -2.865 -8.816 1.00 1.15 H new ATOM 0 HE2 TYR B 18 1.397 -4.323 -11.562 1.00 1.20 H new ATOM 0 HH TYR B 18 -0.240 -2.969 -12.155 1.00 0.18 H new ATOM 796 N LEU B 19 2.252 -5.522 -3.899 1.00 0.13 N ATOM 797 CA LEU B 19 2.517 -6.239 -2.662 1.00 0.13 C ATOM 798 C LEU B 19 1.268 -7.024 -2.234 1.00 0.21 C ATOM 799 O LEU B 19 0.738 -6.802 -1.148 1.00 0.25 O ATOM 800 CB LEU B 19 2.911 -5.247 -1.547 1.00 0.12 C ATOM 801 CG LEU B 19 4.194 -4.406 -1.766 1.00 0.10 C ATOM 802 CD1 LEU B 19 5.394 -5.316 -1.929 1.00 0.08 C ATOM 803 CD2 LEU B 19 4.076 -3.459 -2.946 1.00 0.11 C ATOM 0 H LEU B 19 1.460 -4.881 -3.847 1.00 0.13 H new ATOM 0 HA LEU B 19 3.340 -6.934 -2.829 1.00 0.13 H new ATOM 0 HB2 LEU B 19 2.078 -4.560 -1.397 1.00 0.12 H new ATOM 0 HB3 LEU B 19 3.030 -5.810 -0.621 1.00 0.12 H new ATOM 0 HG LEU B 19 4.329 -3.787 -0.879 1.00 0.10 H new ATOM 0 HD11 LEU B 19 6.289 -4.714 -2.082 1.00 0.08 H new ATOM 0 HD12 LEU B 19 5.514 -5.923 -1.032 1.00 0.08 H new ATOM 0 HD13 LEU B 19 5.243 -5.967 -2.790 1.00 0.08 H new ATOM 0 HD21 LEU B 19 5.002 -2.895 -3.054 1.00 0.11 H new ATOM 0 HD22 LEU B 19 3.892 -4.032 -3.855 1.00 0.11 H new ATOM 0 HD23 LEU B 19 3.249 -2.770 -2.778 1.00 0.11 H new ATOM 815 N PRO B 20 0.789 -7.966 -3.074 1.00 0.23 N ATOM 816 CA PRO B 20 -0.484 -8.675 -2.840 1.00 0.29 C ATOM 817 C PRO B 20 -0.396 -9.701 -1.731 1.00 0.29 C ATOM 818 O PRO B 20 -1.365 -9.959 -1.018 1.00 0.33 O ATOM 819 CB PRO B 20 -0.727 -9.375 -4.179 1.00 0.33 C ATOM 820 CG PRO B 20 0.644 -9.645 -4.681 1.00 0.29 C ATOM 821 CD PRO B 20 1.434 -8.424 -4.322 1.00 0.23 C ATOM 0 HA PRO B 20 -1.276 -7.994 -2.527 1.00 0.29 H new ATOM 0 HB2 PRO B 20 -1.297 -10.295 -4.053 1.00 0.33 H new ATOM 0 HB3 PRO B 20 -1.289 -8.743 -4.866 1.00 0.33 H new ATOM 0 HG2 PRO B 20 1.065 -10.538 -4.219 1.00 0.29 H new ATOM 0 HG3 PRO B 20 0.644 -9.813 -5.758 1.00 0.29 H new ATOM 0 HD2 PRO B 20 2.488 -8.656 -4.170 1.00 0.23 H new ATOM 0 HD3 PRO B 20 1.384 -7.666 -5.104 1.00 0.23 H new ATOM 829 N ASN B 21 0.773 -10.282 -1.591 1.00 0.27 N ATOM 830 CA ASN B 21 0.966 -11.363 -0.656 1.00 0.28 C ATOM 831 C ASN B 21 1.274 -10.825 0.732 1.00 0.24 C ATOM 832 O ASN B 21 1.145 -11.533 1.731 1.00 0.28 O ATOM 833 CB ASN B 21 2.067 -12.290 -1.179 1.00 0.31 C ATOM 834 CG ASN B 21 3.162 -12.573 -0.178 1.00 0.32 C ATOM 835 OD1 ASN B 21 3.041 -13.456 0.664 1.00 0.41 O ATOM 836 ND2 ASN B 21 4.251 -11.836 -0.283 1.00 0.30 N ATOM 0 H ASN B 21 1.608 -10.022 -2.116 1.00 0.27 H new ATOM 0 HA ASN B 21 0.048 -11.944 -0.567 1.00 0.28 H new ATOM 0 HB2 ASN B 21 1.617 -13.234 -1.486 1.00 0.31 H new ATOM 0 HB3 ASN B 21 2.510 -11.844 -2.070 1.00 0.31 H new ATOM 0 HD21 ASN B 21 5.035 -11.991 0.351 1.00 0.30 H new ATOM 0 HD22 ASN B 21 4.309 -11.111 -0.999 1.00 0.30 H new ATOM 843 N LEU B 22 1.654 -9.562 0.801 1.00 0.19 N ATOM 844 CA LEU B 22 1.898 -8.936 2.080 1.00 0.16 C ATOM 845 C LEU B 22 0.604 -8.581 2.769 1.00 0.20 C ATOM 846 O LEU B 22 -0.339 -8.082 2.158 1.00 0.26 O ATOM 847 CB LEU B 22 2.784 -7.709 1.934 1.00 0.14 C ATOM 848 CG LEU B 22 4.190 -8.045 1.460 1.00 0.13 C ATOM 849 CD1 LEU B 22 5.150 -6.902 1.691 1.00 0.12 C ATOM 850 CD2 LEU B 22 4.667 -9.283 2.172 1.00 0.14 C ATOM 0 H LEU B 22 1.798 -8.957 -0.008 1.00 0.19 H new ATOM 0 HA LEU B 22 2.425 -9.659 2.703 1.00 0.16 H new ATOM 0 HB2 LEU B 22 2.324 -7.017 1.228 1.00 0.14 H new ATOM 0 HB3 LEU B 22 2.843 -7.194 2.893 1.00 0.14 H new ATOM 0 HG LEU B 22 4.158 -8.223 0.385 1.00 0.13 H new ATOM 0 HD11 LEU B 22 6.142 -7.183 1.339 1.00 0.12 H new ATOM 0 HD12 LEU B 22 4.807 -6.023 1.146 1.00 0.12 H new ATOM 0 HD13 LEU B 22 5.194 -6.674 2.756 1.00 0.12 H new ATOM 0 HD21 LEU B 22 5.674 -9.530 1.837 1.00 0.14 H new ATOM 0 HD22 LEU B 22 4.676 -9.104 3.247 1.00 0.14 H new ATOM 0 HD23 LEU B 22 3.997 -10.113 1.948 1.00 0.14 H new ATOM 862 N ASN B 23 0.576 -8.868 4.051 1.00 0.21 N ATOM 863 CA ASN B 23 -0.581 -8.582 4.870 1.00 0.26 C ATOM 864 C ASN B 23 -0.445 -7.178 5.421 1.00 0.20 C ATOM 865 O ASN B 23 0.661 -6.633 5.403 1.00 0.15 O ATOM 866 CB ASN B 23 -0.701 -9.608 6.003 1.00 0.35 C ATOM 867 CG ASN B 23 -0.998 -10.998 5.484 1.00 0.56 C ATOM 868 OD1 ASN B 23 -2.155 -11.397 5.381 1.00 1.19 O ATOM 869 ND2 ASN B 23 0.040 -11.744 5.146 1.00 0.55 N ATOM 0 H ASN B 23 1.350 -9.304 4.553 1.00 0.21 H new ATOM 0 HA ASN B 23 -1.489 -8.649 4.270 1.00 0.26 H new ATOM 0 HB2 ASN B 23 0.227 -9.626 6.575 1.00 0.35 H new ATOM 0 HB3 ASN B 23 -1.492 -9.301 6.687 1.00 0.35 H new ATOM 0 HD21 ASN B 23 -0.106 -12.687 4.785 1.00 0.55 H new ATOM 0 HD22 ASN B 23 0.986 -11.377 5.246 1.00 0.55 H new ATOM 876 N PRO B 24 -1.542 -6.554 5.877 1.00 0.25 N ATOM 877 CA PRO B 24 -1.501 -5.207 6.451 1.00 0.22 C ATOM 878 C PRO B 24 -0.310 -5.007 7.386 1.00 0.18 C ATOM 879 O PRO B 24 0.388 -4.003 7.306 1.00 0.19 O ATOM 880 CB PRO B 24 -2.814 -5.127 7.222 1.00 0.27 C ATOM 881 CG PRO B 24 -3.749 -5.995 6.454 1.00 0.33 C ATOM 882 CD PRO B 24 -2.914 -7.096 5.853 1.00 0.37 C ATOM 0 HA PRO B 24 -1.386 -4.435 5.690 1.00 0.22 H new ATOM 0 HB2 PRO B 24 -2.695 -5.480 8.246 1.00 0.27 H new ATOM 0 HB3 PRO B 24 -3.180 -4.102 7.278 1.00 0.27 H new ATOM 0 HG2 PRO B 24 -4.521 -6.405 7.105 1.00 0.33 H new ATOM 0 HG3 PRO B 24 -4.257 -5.425 5.676 1.00 0.33 H new ATOM 0 HD2 PRO B 24 -2.990 -8.016 6.432 1.00 0.37 H new ATOM 0 HD3 PRO B 24 -3.233 -7.331 4.838 1.00 0.37 H new ATOM 890 N ASP B 25 -0.049 -6.009 8.219 1.00 0.20 N ATOM 891 CA ASP B 25 1.008 -5.928 9.229 1.00 0.24 C ATOM 892 C ASP B 25 2.386 -5.978 8.580 1.00 0.23 C ATOM 893 O ASP B 25 3.335 -5.351 9.049 1.00 0.28 O ATOM 894 CB ASP B 25 0.868 -7.068 10.239 1.00 0.34 C ATOM 895 CG ASP B 25 1.844 -6.952 11.395 1.00 0.98 C ATOM 896 OD1 ASP B 25 1.521 -6.251 12.380 1.00 1.49 O ATOM 897 OD2 ASP B 25 2.927 -7.570 11.333 1.00 1.76 O ATOM 0 H ASP B 25 -0.557 -6.893 8.216 1.00 0.20 H new ATOM 0 HA ASP B 25 0.904 -4.976 9.749 1.00 0.24 H new ATOM 0 HB2 ASP B 25 -0.150 -7.079 10.629 1.00 0.34 H new ATOM 0 HB3 ASP B 25 1.025 -8.019 9.731 1.00 0.34 H new ATOM 902 N GLN B 26 2.480 -6.706 7.477 1.00 0.19 N ATOM 903 CA GLN B 26 3.726 -6.855 6.754 1.00 0.20 C ATOM 904 C GLN B 26 4.067 -5.523 6.098 1.00 0.20 C ATOM 905 O GLN B 26 5.180 -5.010 6.206 1.00 0.24 O ATOM 906 CB GLN B 26 3.548 -7.955 5.700 1.00 0.25 C ATOM 907 CG GLN B 26 2.900 -9.224 6.250 1.00 0.31 C ATOM 908 CD GLN B 26 3.703 -9.903 7.344 1.00 0.29 C ATOM 909 OE1 GLN B 26 3.141 -10.514 8.249 1.00 0.48 O ATOM 910 NE2 GLN B 26 5.015 -9.828 7.246 1.00 0.28 N ATOM 0 H GLN B 26 1.695 -7.207 7.062 1.00 0.19 H new ATOM 0 HA GLN B 26 4.540 -7.136 7.423 1.00 0.20 H new ATOM 0 HB2 GLN B 26 2.938 -7.570 4.883 1.00 0.25 H new ATOM 0 HB3 GLN B 26 4.522 -8.206 5.280 1.00 0.25 H new ATOM 0 HG2 GLN B 26 1.912 -8.976 6.639 1.00 0.31 H new ATOM 0 HG3 GLN B 26 2.752 -9.928 5.431 1.00 0.31 H new ATOM 0 HE21 GLN B 26 5.440 -9.309 6.477 1.00 0.28 H new ATOM 0 HE22 GLN B 26 5.605 -10.289 7.939 1.00 0.28 H new ATOM 919 N LEU B 27 3.065 -4.981 5.438 1.00 0.16 N ATOM 920 CA LEU B 27 3.122 -3.660 4.823 1.00 0.17 C ATOM 921 C LEU B 27 3.350 -2.552 5.859 1.00 0.19 C ATOM 922 O LEU B 27 3.968 -1.535 5.546 1.00 0.21 O ATOM 923 CB LEU B 27 1.814 -3.403 4.072 1.00 0.16 C ATOM 924 CG LEU B 27 1.462 -4.450 3.011 1.00 0.14 C ATOM 925 CD1 LEU B 27 -0.029 -4.431 2.722 1.00 0.15 C ATOM 926 CD2 LEU B 27 2.248 -4.204 1.731 1.00 0.13 C ATOM 0 H LEU B 27 2.169 -5.450 5.308 1.00 0.16 H new ATOM 0 HA LEU B 27 3.967 -3.642 4.135 1.00 0.17 H new ATOM 0 HB2 LEU B 27 1.001 -3.353 4.796 1.00 0.16 H new ATOM 0 HB3 LEU B 27 1.874 -2.426 3.592 1.00 0.16 H new ATOM 0 HG LEU B 27 1.732 -5.432 3.399 1.00 0.14 H new ATOM 0 HD11 LEU B 27 -0.263 -5.181 1.966 1.00 0.15 H new ATOM 0 HD12 LEU B 27 -0.580 -4.653 3.636 1.00 0.15 H new ATOM 0 HD13 LEU B 27 -0.316 -3.445 2.356 1.00 0.15 H new ATOM 0 HD21 LEU B 27 1.983 -4.959 0.991 1.00 0.13 H new ATOM 0 HD22 LEU B 27 2.009 -3.214 1.342 1.00 0.13 H new ATOM 0 HD23 LEU B 27 3.316 -4.263 1.943 1.00 0.13 H new ATOM 938 N CYS B 28 2.848 -2.747 7.085 1.00 0.20 N ATOM 939 CA CYS B 28 2.997 -1.754 8.160 1.00 0.23 C ATOM 940 C CYS B 28 4.446 -1.315 8.317 1.00 0.23 C ATOM 941 O CYS B 28 4.738 -0.120 8.420 1.00 0.28 O ATOM 942 CB CYS B 28 2.495 -2.304 9.501 1.00 0.25 C ATOM 943 SG CYS B 28 0.683 -2.356 9.678 1.00 0.27 S ATOM 0 H CYS B 28 2.334 -3.584 7.359 1.00 0.20 H new ATOM 0 HA CYS B 28 2.392 -0.893 7.875 1.00 0.23 H new ATOM 0 HB2 CYS B 28 2.888 -3.312 9.634 1.00 0.25 H new ATOM 0 HB3 CYS B 28 2.907 -1.693 10.305 1.00 0.25 H new ATOM 948 N ALA B 29 5.348 -2.286 8.318 1.00 0.22 N ATOM 949 CA ALA B 29 6.768 -2.016 8.485 1.00 0.24 C ATOM 950 C ALA B 29 7.290 -1.137 7.366 1.00 0.21 C ATOM 951 O ALA B 29 8.096 -0.234 7.596 1.00 0.25 O ATOM 952 CB ALA B 29 7.542 -3.315 8.514 1.00 0.26 C ATOM 0 H ALA B 29 5.119 -3.273 8.204 1.00 0.22 H new ATOM 0 HA ALA B 29 6.904 -1.490 9.430 1.00 0.24 H new ATOM 0 HB1 ALA B 29 8.604 -3.103 8.639 1.00 0.26 H new ATOM 0 HB2 ALA B 29 7.194 -3.928 9.346 1.00 0.26 H new ATOM 0 HB3 ALA B 29 7.387 -3.852 7.578 1.00 0.26 H new ATOM 958 N PHE B 30 6.819 -1.407 6.161 1.00 0.18 N ATOM 959 CA PHE B 30 7.269 -0.694 4.984 1.00 0.17 C ATOM 960 C PHE B 30 7.037 0.808 5.124 1.00 0.21 C ATOM 961 O PHE B 30 7.996 1.565 5.116 1.00 0.22 O ATOM 962 CB PHE B 30 6.526 -1.238 3.762 1.00 0.18 C ATOM 963 CG PHE B 30 7.006 -0.693 2.453 1.00 0.16 C ATOM 964 CD1 PHE B 30 8.359 -0.594 2.189 1.00 1.13 C ATOM 965 CD2 PHE B 30 6.106 -0.304 1.475 1.00 1.07 C ATOM 966 CE1 PHE B 30 8.804 -0.118 0.978 1.00 1.13 C ATOM 967 CE2 PHE B 30 6.550 0.179 0.261 1.00 1.07 C ATOM 968 CZ PHE B 30 7.906 0.269 0.015 1.00 0.13 C ATOM 0 H PHE B 30 6.117 -2.123 5.974 1.00 0.18 H new ATOM 0 HA PHE B 30 8.341 -0.848 4.864 1.00 0.17 H new ATOM 0 HB2 PHE B 30 6.622 -2.324 3.747 1.00 0.18 H new ATOM 0 HB3 PHE B 30 5.465 -1.014 3.868 1.00 0.18 H new ATOM 0 HD1 PHE B 30 9.074 -0.893 2.941 1.00 1.13 H new ATOM 0 HD2 PHE B 30 5.045 -0.379 1.664 1.00 1.07 H new ATOM 0 HE1 PHE B 30 9.864 -0.048 0.784 1.00 1.13 H new ATOM 0 HE2 PHE B 30 5.840 0.485 -0.493 1.00 1.07 H new ATOM 0 HZ PHE B 30 8.259 0.644 -0.934 1.00 0.13 H new ATOM 978 N PHE B 31 5.788 1.230 5.346 1.00 0.26 N ATOM 979 CA PHE B 31 5.490 2.647 5.554 1.00 0.35 C ATOM 980 C PHE B 31 6.358 3.211 6.664 1.00 0.37 C ATOM 981 O PHE B 31 6.831 4.334 6.578 1.00 0.46 O ATOM 982 CB PHE B 31 4.044 2.915 5.995 1.00 0.65 C ATOM 983 CG PHE B 31 2.955 2.093 5.380 1.00 0.23 C ATOM 984 CD1 PHE B 31 2.460 2.384 4.124 1.00 1.13 C ATOM 985 CD2 PHE B 31 2.378 1.066 6.103 1.00 1.16 C ATOM 986 CE1 PHE B 31 1.410 1.660 3.600 1.00 1.45 C ATOM 987 CE2 PHE B 31 1.336 0.332 5.582 1.00 1.05 C ATOM 988 CZ PHE B 31 0.848 0.629 4.330 1.00 0.80 C ATOM 0 H PHE B 31 4.975 0.615 5.386 1.00 0.26 H new ATOM 0 HA PHE B 31 5.674 3.114 4.586 1.00 0.35 H new ATOM 0 HB2 PHE B 31 3.994 2.779 7.075 1.00 0.65 H new ATOM 0 HB3 PHE B 31 3.823 3.964 5.795 1.00 0.65 H new ATOM 0 HD1 PHE B 31 2.899 3.185 3.548 1.00 1.13 H new ATOM 0 HD2 PHE B 31 2.750 0.836 7.091 1.00 1.16 H new ATOM 0 HE1 PHE B 31 1.026 1.898 2.619 1.00 1.45 H new ATOM 0 HE2 PHE B 31 0.903 -0.475 6.154 1.00 1.05 H new ATOM 0 HZ PHE B 31 0.028 0.058 3.919 1.00 0.80 H new ATOM 998 N HIS B 32 6.532 2.434 7.724 1.00 0.36 N ATOM 999 CA HIS B 32 7.256 2.905 8.895 1.00 0.43 C ATOM 1000 C HIS B 32 8.699 3.238 8.557 1.00 0.40 C ATOM 1001 O HIS B 32 9.213 4.265 8.985 1.00 0.47 O ATOM 1002 CB HIS B 32 7.194 1.883 10.036 1.00 0.47 C ATOM 1003 CG HIS B 32 5.873 1.844 10.743 1.00 0.71 C ATOM 1004 ND1 HIS B 32 5.284 0.677 11.181 1.00 1.37 N ATOM 1005 CD2 HIS B 32 5.032 2.843 11.099 1.00 1.43 C ATOM 1006 CE1 HIS B 32 4.138 0.960 11.771 1.00 1.77 C ATOM 1007 NE2 HIS B 32 3.962 2.266 11.734 1.00 1.70 N ATOM 0 H HIS B 32 6.183 1.478 7.797 1.00 0.36 H new ATOM 0 HA HIS B 32 6.767 3.820 9.231 1.00 0.43 H new ATOM 0 HB2 HIS B 32 7.411 0.892 9.636 1.00 0.47 H new ATOM 0 HB3 HIS B 32 7.976 2.113 10.760 1.00 0.47 H new ATOM 0 HD2 HIS B 32 5.177 3.898 10.917 1.00 1.43 H new ATOM 0 HE1 HIS B 32 3.459 0.243 12.210 1.00 1.77 H new ATOM 0 HE2 HIS B 32 3.160 2.767 12.116 1.00 1.70 H new ATOM 1016 N SER B 33 9.343 2.386 7.781 1.00 0.33 N ATOM 1017 CA SER B 33 10.705 2.652 7.337 1.00 0.33 C ATOM 1018 C SER B 33 10.714 3.770 6.294 1.00 0.28 C ATOM 1019 O SER B 33 11.623 4.586 6.237 1.00 0.30 O ATOM 1020 CB SER B 33 11.320 1.376 6.767 1.00 0.33 C ATOM 1021 OG SER B 33 11.263 0.317 7.709 1.00 0.77 O ATOM 0 H SER B 33 8.950 1.507 7.445 1.00 0.33 H new ATOM 0 HA SER B 33 11.302 2.978 8.189 1.00 0.33 H new ATOM 0 HB2 SER B 33 10.791 1.088 5.859 1.00 0.33 H new ATOM 0 HB3 SER B 33 12.357 1.562 6.487 1.00 0.33 H new ATOM 0 HG SER B 33 10.338 0.004 7.794 1.00 0.77 H new ATOM 1027 N VAL B 34 9.672 3.781 5.487 1.00 0.22 N ATOM 1028 CA VAL B 34 9.535 4.665 4.338 1.00 0.20 C ATOM 1029 C VAL B 34 9.219 6.101 4.763 1.00 0.26 C ATOM 1030 O VAL B 34 9.787 7.052 4.232 1.00 0.27 O ATOM 1031 CB VAL B 34 8.424 4.129 3.399 1.00 0.19 C ATOM 1032 CG1 VAL B 34 8.062 5.111 2.317 1.00 0.18 C ATOM 1033 CG2 VAL B 34 8.834 2.824 2.752 1.00 0.20 C ATOM 0 H VAL B 34 8.873 3.159 5.613 1.00 0.22 H new ATOM 0 HA VAL B 34 10.487 4.682 3.808 1.00 0.20 H new ATOM 0 HB VAL B 34 7.550 3.970 4.031 1.00 0.19 H new ATOM 0 HG11 VAL B 34 7.280 4.687 1.687 1.00 0.18 H new ATOM 0 HG12 VAL B 34 7.702 6.035 2.770 1.00 0.18 H new ATOM 0 HG13 VAL B 34 8.942 5.323 1.709 1.00 0.18 H new ATOM 0 HG21 VAL B 34 8.034 2.474 2.100 1.00 0.20 H new ATOM 0 HG22 VAL B 34 9.740 2.978 2.165 1.00 0.20 H new ATOM 0 HG23 VAL B 34 9.024 2.079 3.524 1.00 0.20 H new ATOM 1043 N HIS B 35 8.310 6.256 5.716 1.00 0.32 N ATOM 1044 CA HIS B 35 7.933 7.576 6.199 1.00 0.41 C ATOM 1045 C HIS B 35 9.011 8.119 7.115 1.00 0.45 C ATOM 1046 O HIS B 35 9.340 9.305 7.073 1.00 0.51 O ATOM 1047 CB HIS B 35 6.598 7.508 6.943 1.00 0.48 C ATOM 1048 CG HIS B 35 6.106 8.835 7.445 1.00 0.66 C ATOM 1049 ND1 HIS B 35 5.841 9.084 8.773 1.00 1.60 N ATOM 1050 CD2 HIS B 35 5.817 9.983 6.786 1.00 0.88 C ATOM 1051 CE1 HIS B 35 5.410 10.323 8.909 1.00 1.50 C ATOM 1052 NE2 HIS B 35 5.386 10.891 7.720 1.00 0.80 N ATOM 0 H HIS B 35 7.821 5.484 6.169 1.00 0.32 H new ATOM 0 HA HIS B 35 7.823 8.244 5.345 1.00 0.41 H new ATOM 0 HB2 HIS B 35 5.846 7.082 6.279 1.00 0.48 H new ATOM 0 HB3 HIS B 35 6.700 6.827 7.788 1.00 0.48 H new ATOM 0 HD2 HIS B 35 5.909 10.152 5.723 1.00 0.88 H new ATOM 0 HE1 HIS B 35 5.125 10.793 9.838 1.00 1.50 H new ATOM 0 HE2 HIS B 35 5.095 11.849 7.526 1.00 0.80 H new ATOM 1061 N ASP B 36 9.549 7.239 7.944 1.00 0.44 N ATOM 1062 CA ASP B 36 10.609 7.614 8.863 1.00 0.50 C ATOM 1063 C ASP B 36 11.897 7.864 8.097 1.00 0.47 C ATOM 1064 O ASP B 36 12.650 8.780 8.430 1.00 0.52 O ATOM 1065 CB ASP B 36 10.821 6.537 9.929 1.00 0.55 C ATOM 1066 CG ASP B 36 11.693 7.009 11.075 1.00 0.79 C ATOM 1067 OD1 ASP B 36 11.249 7.888 11.842 1.00 1.29 O ATOM 1068 OD2 ASP B 36 12.811 6.486 11.235 1.00 1.59 O ATOM 0 H ASP B 36 9.268 6.260 7.999 1.00 0.44 H new ATOM 0 HA ASP B 36 10.314 8.533 9.370 1.00 0.50 H new ATOM 0 HB2 ASP B 36 9.853 6.224 10.320 1.00 0.55 H new ATOM 0 HB3 ASP B 36 11.277 5.661 9.468 1.00 0.55 H new ATOM 1073 N ASP B 37 12.146 7.072 7.054 1.00 0.39 N ATOM 1074 CA ASP B 37 13.326 7.300 6.215 1.00 0.40 C ATOM 1075 C ASP B 37 12.984 7.287 4.728 1.00 0.32 C ATOM 1076 O ASP B 37 13.226 6.304 4.032 1.00 0.29 O ATOM 1077 CB ASP B 37 14.423 6.271 6.502 1.00 0.48 C ATOM 1078 CG ASP B 37 15.285 6.635 7.690 1.00 1.00 C ATOM 1079 OD1 ASP B 37 15.975 7.676 7.640 1.00 1.55 O ATOM 1080 OD2 ASP B 37 15.299 5.873 8.676 1.00 1.58 O ATOM 0 H ASP B 37 11.563 6.284 6.773 1.00 0.39 H new ATOM 0 HA ASP B 37 13.697 8.293 6.470 1.00 0.40 H new ATOM 0 HB2 ASP B 37 13.963 5.299 6.679 1.00 0.48 H new ATOM 0 HB3 ASP B 37 15.055 6.168 5.620 1.00 0.48 H new ATOM 1085 N PRO B 38 12.435 8.400 4.218 1.00 0.34 N ATOM 1086 CA PRO B 38 12.125 8.560 2.788 1.00 0.31 C ATOM 1087 C PRO B 38 13.356 8.394 1.896 1.00 0.30 C ATOM 1088 O PRO B 38 13.242 8.023 0.727 1.00 0.36 O ATOM 1089 CB PRO B 38 11.594 9.996 2.693 1.00 0.42 C ATOM 1090 CG PRO B 38 12.040 10.658 3.953 1.00 0.49 C ATOM 1091 CD PRO B 38 12.040 9.585 4.991 1.00 0.46 C ATOM 0 HA PRO B 38 11.420 7.803 2.444 1.00 0.31 H new ATOM 0 HB2 PRO B 38 11.993 10.507 1.817 1.00 0.42 H new ATOM 0 HB3 PRO B 38 10.508 10.010 2.603 1.00 0.42 H new ATOM 0 HG2 PRO B 38 13.033 11.092 3.838 1.00 0.49 H new ATOM 0 HG3 PRO B 38 11.367 11.470 4.229 1.00 0.49 H new ATOM 0 HD2 PRO B 38 12.743 9.798 5.796 1.00 0.46 H new ATOM 0 HD3 PRO B 38 11.059 9.463 5.449 1.00 0.46 H new ATOM 1099 N SER B 39 14.532 8.654 2.467 1.00 0.29 N ATOM 1100 CA SER B 39 15.794 8.580 1.735 1.00 0.31 C ATOM 1101 C SER B 39 16.038 7.185 1.169 1.00 0.26 C ATOM 1102 O SER B 39 16.760 7.021 0.185 1.00 0.31 O ATOM 1103 CB SER B 39 16.952 8.980 2.654 1.00 0.39 C ATOM 1104 OG SER B 39 18.189 9.008 1.958 1.00 1.45 O ATOM 0 H SER B 39 14.636 8.921 3.446 1.00 0.29 H new ATOM 0 HA SER B 39 15.734 9.273 0.896 1.00 0.31 H new ATOM 0 HB2 SER B 39 16.754 9.962 3.083 1.00 0.39 H new ATOM 0 HB3 SER B 39 17.017 8.277 3.484 1.00 0.39 H new ATOM 0 HG SER B 39 18.905 9.268 2.574 1.00 1.45 H new ATOM 1110 N GLN B 40 15.413 6.185 1.768 1.00 0.21 N ATOM 1111 CA GLN B 40 15.687 4.805 1.404 1.00 0.19 C ATOM 1112 C GLN B 40 14.471 4.079 0.889 1.00 0.15 C ATOM 1113 O GLN B 40 14.459 2.860 0.889 1.00 0.14 O ATOM 1114 CB GLN B 40 16.209 4.032 2.591 1.00 0.22 C ATOM 1115 CG GLN B 40 15.856 4.648 3.921 1.00 0.25 C ATOM 1116 CD GLN B 40 16.975 4.528 4.914 1.00 0.32 C ATOM 1117 OE1 GLN B 40 17.039 3.589 5.710 1.00 0.37 O ATOM 1118 NE2 GLN B 40 17.884 5.471 4.836 1.00 0.35 N ATOM 0 H GLN B 40 14.717 6.302 2.504 1.00 0.21 H new ATOM 0 HA GLN B 40 16.431 4.856 0.609 1.00 0.19 H new ATOM 0 HB2 GLN B 40 15.813 3.017 2.555 1.00 0.22 H new ATOM 0 HB3 GLN B 40 17.293 3.954 2.514 1.00 0.22 H new ATOM 0 HG2 GLN B 40 15.610 5.700 3.779 1.00 0.25 H new ATOM 0 HG3 GLN B 40 14.965 4.163 4.319 1.00 0.25 H new ATOM 0 HE21 GLN B 40 17.780 6.225 4.157 1.00 0.35 H new ATOM 0 HE22 GLN B 40 18.695 5.450 5.454 1.00 0.35 H new ATOM 1127 N SER B 41 13.452 4.810 0.491 1.00 0.15 N ATOM 1128 CA SER B 41 12.234 4.205 -0.049 1.00 0.14 C ATOM 1129 C SER B 41 12.528 3.094 -1.077 1.00 0.11 C ATOM 1130 O SER B 41 11.719 2.194 -1.246 1.00 0.10 O ATOM 1131 CB SER B 41 11.309 5.279 -0.633 1.00 0.16 C ATOM 1132 OG SER B 41 12.015 6.149 -1.503 1.00 0.75 O ATOM 0 H SER B 41 13.435 5.829 0.528 1.00 0.15 H new ATOM 0 HA SER B 41 11.720 3.723 0.782 1.00 0.14 H new ATOM 0 HB2 SER B 41 10.492 4.803 -1.175 1.00 0.16 H new ATOM 0 HB3 SER B 41 10.861 5.855 0.176 1.00 0.16 H new ATOM 0 HG SER B 41 12.467 6.841 -0.977 1.00 0.75 H new ATOM 1138 N ALA B 42 13.676 3.154 -1.763 1.00 0.09 N ATOM 1139 CA ALA B 42 14.078 2.078 -2.672 1.00 0.08 C ATOM 1140 C ALA B 42 14.643 0.866 -1.929 1.00 0.10 C ATOM 1141 O ALA B 42 14.326 -0.274 -2.266 1.00 0.10 O ATOM 1142 CB ALA B 42 15.078 2.567 -3.695 1.00 0.09 C ATOM 0 H ALA B 42 14.336 3.929 -1.706 1.00 0.09 H new ATOM 0 HA ALA B 42 13.172 1.760 -3.187 1.00 0.08 H new ATOM 0 HB1 ALA B 42 15.356 1.745 -4.354 1.00 0.09 H new ATOM 0 HB2 ALA B 42 14.633 3.369 -4.284 1.00 0.09 H new ATOM 0 HB3 ALA B 42 15.967 2.940 -3.186 1.00 0.09 H new ATOM 1148 N ASN B 43 15.491 1.101 -0.934 1.00 0.12 N ATOM 1149 CA ASN B 43 15.992 0.007 -0.100 1.00 0.14 C ATOM 1150 C ASN B 43 14.848 -0.559 0.719 1.00 0.14 C ATOM 1151 O ASN B 43 14.740 -1.762 0.928 1.00 0.15 O ATOM 1152 CB ASN B 43 17.119 0.472 0.829 1.00 0.18 C ATOM 1153 CG ASN B 43 18.446 0.605 0.124 1.00 0.27 C ATOM 1154 OD1 ASN B 43 19.186 -0.368 -0.030 1.00 0.37 O ATOM 1155 ND2 ASN B 43 18.771 1.815 -0.281 1.00 0.33 N ATOM 0 H ASN B 43 15.844 2.025 -0.685 1.00 0.12 H new ATOM 0 HA ASN B 43 16.402 -0.762 -0.754 1.00 0.14 H new ATOM 0 HB2 ASN B 43 16.848 1.433 1.267 1.00 0.18 H new ATOM 0 HB3 ASN B 43 17.220 -0.236 1.652 1.00 0.18 H new ATOM 0 HD21 ASN B 43 19.666 1.975 -0.743 1.00 0.33 H new ATOM 0 HD22 ASN B 43 18.127 2.592 -0.133 1.00 0.33 H new ATOM 1162 N LEU B 44 13.993 0.339 1.167 1.00 0.13 N ATOM 1163 CA LEU B 44 12.749 -0.020 1.827 1.00 0.13 C ATOM 1164 C LEU B 44 11.863 -0.802 0.867 1.00 0.11 C ATOM 1165 O LEU B 44 11.257 -1.806 1.242 1.00 0.11 O ATOM 1166 CB LEU B 44 12.025 1.238 2.297 1.00 0.14 C ATOM 1167 CG LEU B 44 12.534 1.872 3.599 1.00 0.17 C ATOM 1168 CD1 LEU B 44 13.913 1.370 4.000 1.00 0.19 C ATOM 1169 CD2 LEU B 44 12.583 3.362 3.435 1.00 0.17 C ATOM 0 H LEU B 44 14.141 1.345 1.084 1.00 0.13 H new ATOM 0 HA LEU B 44 12.973 -0.642 2.693 1.00 0.13 H new ATOM 0 HB2 LEU B 44 12.089 1.985 1.506 1.00 0.14 H new ATOM 0 HB3 LEU B 44 10.969 0.997 2.424 1.00 0.14 H new ATOM 0 HG LEU B 44 11.841 1.586 4.390 1.00 0.17 H new ATOM 0 HD11 LEU B 44 14.221 1.853 4.927 1.00 0.19 H new ATOM 0 HD12 LEU B 44 13.879 0.291 4.147 1.00 0.19 H new ATOM 0 HD13 LEU B 44 14.629 1.606 3.213 1.00 0.19 H new ATOM 0 HD21 LEU B 44 12.944 3.818 4.357 1.00 0.17 H new ATOM 0 HD22 LEU B 44 13.257 3.616 2.617 1.00 0.17 H new ATOM 0 HD23 LEU B 44 11.584 3.737 3.212 1.00 0.17 H new ATOM 1181 N LEU B 45 11.808 -0.327 -0.382 1.00 0.10 N ATOM 1182 CA LEU B 45 11.088 -1.009 -1.456 1.00 0.09 C ATOM 1183 C LEU B 45 11.547 -2.441 -1.510 1.00 0.08 C ATOM 1184 O LEU B 45 10.747 -3.372 -1.475 1.00 0.08 O ATOM 1185 CB LEU B 45 11.384 -0.357 -2.819 1.00 0.09 C ATOM 1186 CG LEU B 45 10.179 -0.214 -3.751 1.00 0.11 C ATOM 1187 CD1 LEU B 45 10.579 -0.397 -5.210 1.00 0.13 C ATOM 1188 CD2 LEU B 45 9.093 -1.199 -3.364 1.00 0.10 C ATOM 0 H LEU B 45 12.261 0.539 -0.674 1.00 0.10 H new ATOM 0 HA LEU B 45 10.019 -0.942 -1.255 1.00 0.09 H new ATOM 0 HB2 LEU B 45 11.808 0.632 -2.646 1.00 0.09 H new ATOM 0 HB3 LEU B 45 12.147 -0.946 -3.327 1.00 0.09 H new ATOM 0 HG LEU B 45 9.788 0.797 -3.642 1.00 0.11 H new ATOM 0 HD11 LEU B 45 9.699 -0.289 -5.845 1.00 0.13 H new ATOM 0 HD12 LEU B 45 11.318 0.357 -5.482 1.00 0.13 H new ATOM 0 HD13 LEU B 45 11.007 -1.390 -5.348 1.00 0.13 H new ATOM 0 HD21 LEU B 45 8.242 -1.085 -4.036 1.00 0.10 H new ATOM 0 HD22 LEU B 45 9.480 -2.215 -3.438 1.00 0.10 H new ATOM 0 HD23 LEU B 45 8.775 -1.006 -2.340 1.00 0.10 H new ATOM 1200 N ALA B 46 12.852 -2.588 -1.558 1.00 0.09 N ATOM 1201 CA ALA B 46 13.493 -3.873 -1.581 1.00 0.11 C ATOM 1202 C ALA B 46 12.993 -4.743 -0.456 1.00 0.11 C ATOM 1203 O ALA B 46 12.760 -5.913 -0.656 1.00 0.13 O ATOM 1204 CB ALA B 46 14.984 -3.677 -1.456 1.00 0.13 C ATOM 0 H ALA B 46 13.503 -1.803 -1.582 1.00 0.09 H new ATOM 0 HA ALA B 46 13.259 -4.371 -2.522 1.00 0.11 H new ATOM 0 HB1 ALA B 46 15.481 -4.647 -1.472 1.00 0.13 H new ATOM 0 HB2 ALA B 46 15.342 -3.071 -2.288 1.00 0.13 H new ATOM 0 HB3 ALA B 46 15.207 -3.171 -0.517 1.00 0.13 H new ATOM 1210 N GLU B 47 12.805 -4.155 0.715 1.00 0.11 N ATOM 1211 CA GLU B 47 12.440 -4.914 1.900 1.00 0.12 C ATOM 1212 C GLU B 47 10.980 -5.353 1.874 1.00 0.10 C ATOM 1213 O GLU B 47 10.641 -6.426 2.357 1.00 0.11 O ATOM 1214 CB GLU B 47 12.729 -4.107 3.153 1.00 0.16 C ATOM 1215 CG GLU B 47 14.185 -3.741 3.249 1.00 0.20 C ATOM 1216 CD GLU B 47 15.058 -4.881 3.722 1.00 0.71 C ATOM 1217 OE1 GLU B 47 15.131 -5.113 4.946 1.00 1.20 O ATOM 1218 OE2 GLU B 47 15.680 -5.554 2.873 1.00 1.43 O ATOM 0 H GLU B 47 12.900 -3.151 0.870 1.00 0.11 H new ATOM 0 HA GLU B 47 13.049 -5.818 1.908 1.00 0.12 H new ATOM 0 HB2 GLU B 47 12.124 -3.200 3.151 1.00 0.16 H new ATOM 0 HB3 GLU B 47 12.438 -4.682 4.032 1.00 0.16 H new ATOM 0 HG2 GLU B 47 14.534 -3.407 2.272 1.00 0.20 H new ATOM 0 HG3 GLU B 47 14.297 -2.899 3.932 1.00 0.20 H new ATOM 1225 N ALA B 48 10.116 -4.524 1.318 1.00 0.07 N ATOM 1226 CA ALA B 48 8.705 -4.884 1.192 1.00 0.07 C ATOM 1227 C ALA B 48 8.561 -5.945 0.133 1.00 0.08 C ATOM 1228 O ALA B 48 7.800 -6.894 0.273 1.00 0.09 O ATOM 1229 CB ALA B 48 7.839 -3.687 0.855 1.00 0.09 C ATOM 0 H ALA B 48 10.357 -3.605 0.948 1.00 0.07 H new ATOM 0 HA ALA B 48 8.363 -5.264 2.155 1.00 0.07 H new ATOM 0 HB1 ALA B 48 6.799 -4.002 0.771 1.00 0.09 H new ATOM 0 HB2 ALA B 48 7.929 -2.939 1.643 1.00 0.09 H new ATOM 0 HB3 ALA B 48 8.165 -3.257 -0.092 1.00 0.09 H new ATOM 1235 N LYS B 49 9.324 -5.777 -0.923 1.00 0.09 N ATOM 1236 CA LYS B 49 9.351 -6.723 -2.010 1.00 0.12 C ATOM 1237 C LYS B 49 10.101 -7.979 -1.564 1.00 0.15 C ATOM 1238 O LYS B 49 9.851 -9.078 -2.048 1.00 0.19 O ATOM 1239 CB LYS B 49 9.998 -6.047 -3.207 1.00 0.11 C ATOM 1240 CG LYS B 49 9.280 -4.770 -3.610 1.00 0.11 C ATOM 1241 CD LYS B 49 9.872 -4.124 -4.849 1.00 0.12 C ATOM 1242 CE LYS B 49 11.355 -3.834 -4.707 1.00 0.11 C ATOM 1243 NZ LYS B 49 12.036 -3.737 -6.028 1.00 0.20 N ATOM 0 H LYS B 49 9.944 -4.977 -1.051 1.00 0.09 H new ATOM 0 HA LYS B 49 8.348 -7.036 -2.298 1.00 0.12 H new ATOM 0 HB2 LYS B 49 11.038 -5.818 -2.973 1.00 0.11 H new ATOM 0 HB3 LYS B 49 10.006 -6.738 -4.050 1.00 0.11 H new ATOM 0 HG2 LYS B 49 8.228 -4.992 -3.790 1.00 0.11 H new ATOM 0 HG3 LYS B 49 9.319 -4.061 -2.783 1.00 0.11 H new ATOM 0 HD2 LYS B 49 9.715 -4.779 -5.706 1.00 0.12 H new ATOM 0 HD3 LYS B 49 9.343 -3.194 -5.057 1.00 0.12 H new ATOM 0 HE2 LYS B 49 11.491 -2.901 -4.160 1.00 0.11 H new ATOM 0 HE3 LYS B 49 11.823 -4.621 -4.115 1.00 0.11 H new ATOM 0 HZ1 LYS B 49 13.012 -3.406 -5.892 1.00 0.20 H new ATOM 0 HZ2 LYS B 49 12.048 -4.673 -6.482 1.00 0.20 H new ATOM 0 HZ3 LYS B 49 11.524 -3.065 -6.634 1.00 0.20 H new ATOM 1257 N LYS B 50 11.023 -7.772 -0.634 1.00 0.15 N ATOM 1258 CA LYS B 50 11.726 -8.832 0.090 1.00 0.18 C ATOM 1259 C LYS B 50 10.769 -9.634 0.948 1.00 0.20 C ATOM 1260 O LYS B 50 10.808 -10.851 0.981 1.00 0.26 O ATOM 1261 CB LYS B 50 12.746 -8.173 1.004 1.00 0.19 C ATOM 1262 CG LYS B 50 13.159 -9.006 2.203 1.00 0.24 C ATOM 1263 CD LYS B 50 13.840 -8.167 3.275 1.00 0.33 C ATOM 1264 CE LYS B 50 12.826 -7.501 4.188 1.00 1.07 C ATOM 1265 NZ LYS B 50 13.424 -7.103 5.489 1.00 1.88 N ATOM 0 H LYS B 50 11.314 -6.836 -0.351 1.00 0.15 H new ATOM 0 HA LYS B 50 12.197 -9.503 -0.629 1.00 0.18 H new ATOM 0 HB2 LYS B 50 13.636 -7.936 0.421 1.00 0.19 H new ATOM 0 HB3 LYS B 50 12.337 -7.228 1.360 1.00 0.19 H new ATOM 0 HG2 LYS B 50 12.280 -9.491 2.627 1.00 0.24 H new ATOM 0 HG3 LYS B 50 13.835 -9.797 1.879 1.00 0.24 H new ATOM 0 HD2 LYS B 50 14.504 -8.798 3.866 1.00 0.33 H new ATOM 0 HD3 LYS B 50 14.461 -7.406 2.803 1.00 0.33 H new ATOM 0 HE2 LYS B 50 12.416 -6.621 3.693 1.00 1.07 H new ATOM 0 HE3 LYS B 50 11.995 -8.183 4.365 1.00 1.07 H new ATOM 0 HZ1 LYS B 50 12.696 -7.137 6.231 1.00 1.88 H new ATOM 0 HZ2 LYS B 50 14.196 -7.757 5.731 1.00 1.88 H new ATOM 0 HZ3 LYS B 50 13.799 -6.136 5.417 1.00 1.88 H new ATOM 1279 N LEU B 51 9.957 -8.910 1.679 1.00 0.17 N ATOM 1280 CA LEU B 51 8.951 -9.479 2.545 1.00 0.17 C ATOM 1281 C LEU B 51 7.897 -10.154 1.712 1.00 0.18 C ATOM 1282 O LEU B 51 7.369 -11.214 2.061 1.00 0.20 O ATOM 1283 CB LEU B 51 8.323 -8.383 3.388 1.00 0.14 C ATOM 1284 CG LEU B 51 7.237 -8.861 4.329 1.00 0.12 C ATOM 1285 CD1 LEU B 51 7.739 -10.054 5.122 1.00 0.14 C ATOM 1286 CD2 LEU B 51 6.780 -7.720 5.225 1.00 0.13 C ATOM 0 H LEU B 51 9.976 -7.890 1.690 1.00 0.17 H new ATOM 0 HA LEU B 51 9.412 -10.214 3.205 1.00 0.17 H new ATOM 0 HB2 LEU B 51 9.105 -7.898 3.972 1.00 0.14 H new ATOM 0 HB3 LEU B 51 7.905 -7.626 2.725 1.00 0.14 H new ATOM 0 HG LEU B 51 6.367 -9.187 3.759 1.00 0.12 H new ATOM 0 HD11 LEU B 51 6.956 -10.397 5.799 1.00 0.14 H new ATOM 0 HD12 LEU B 51 8.005 -10.860 4.438 1.00 0.14 H new ATOM 0 HD13 LEU B 51 8.616 -9.764 5.700 1.00 0.14 H new ATOM 0 HD21 LEU B 51 5.999 -8.076 5.897 1.00 0.13 H new ATOM 0 HD22 LEU B 51 7.625 -7.356 5.810 1.00 0.13 H new ATOM 0 HD23 LEU B 51 6.388 -6.909 4.611 1.00 0.13 H new ATOM 1298 N ASN B 52 7.568 -9.501 0.621 1.00 0.18 N ATOM 1299 CA ASN B 52 6.772 -10.113 -0.413 1.00 0.26 C ATOM 1300 C ASN B 52 7.436 -11.417 -0.798 1.00 0.37 C ATOM 1301 O ASN B 52 6.831 -12.466 -0.745 1.00 0.63 O ATOM 1302 CB ASN B 52 6.662 -9.180 -1.622 1.00 0.40 C ATOM 1303 CG ASN B 52 5.850 -9.766 -2.746 1.00 0.79 C ATOM 1304 OD1 ASN B 52 6.380 -10.431 -3.633 1.00 1.86 O ATOM 1305 ND2 ASN B 52 4.557 -9.518 -2.723 1.00 0.29 N ATOM 0 H ASN B 52 7.843 -8.538 0.428 1.00 0.18 H new ATOM 0 HA ASN B 52 5.761 -10.302 -0.054 1.00 0.26 H new ATOM 0 HB2 ASN B 52 6.211 -8.239 -1.308 1.00 0.40 H new ATOM 0 HB3 ASN B 52 7.663 -8.948 -1.987 1.00 0.40 H new ATOM 0 HD21 ASN B 52 3.955 -9.883 -3.461 1.00 0.29 H new ATOM 0 HD22 ASN B 52 4.158 -8.961 -1.967 1.00 0.29 H new ATOM 1312 N ASP B 53 8.724 -11.333 -1.043 1.00 0.31 N ATOM 1313 CA ASP B 53 9.528 -12.468 -1.482 1.00 0.37 C ATOM 1314 C ASP B 53 9.603 -13.525 -0.385 1.00 0.38 C ATOM 1315 O ASP B 53 9.746 -14.716 -0.657 1.00 0.47 O ATOM 1316 CB ASP B 53 10.935 -11.969 -1.843 1.00 0.38 C ATOM 1317 CG ASP B 53 11.892 -13.070 -2.243 1.00 0.93 C ATOM 1318 OD1 ASP B 53 12.537 -13.659 -1.347 1.00 1.71 O ATOM 1319 OD2 ASP B 53 12.026 -13.332 -3.458 1.00 1.59 O ATOM 0 H ASP B 53 9.256 -10.468 -0.944 1.00 0.31 H new ATOM 0 HA ASP B 53 9.066 -12.925 -2.357 1.00 0.37 H new ATOM 0 HB2 ASP B 53 10.857 -11.254 -2.662 1.00 0.38 H new ATOM 0 HB3 ASP B 53 11.350 -11.433 -0.989 1.00 0.38 H new ATOM 1324 N ALA B 54 9.471 -13.072 0.854 1.00 0.30 N ATOM 1325 CA ALA B 54 9.611 -13.934 2.013 1.00 0.30 C ATOM 1326 C ALA B 54 8.430 -14.874 2.153 1.00 0.27 C ATOM 1327 O ALA B 54 8.586 -16.054 2.461 1.00 0.32 O ATOM 1328 CB ALA B 54 9.735 -13.086 3.263 1.00 0.27 C ATOM 0 H ALA B 54 9.264 -12.099 1.081 1.00 0.30 H new ATOM 0 HA ALA B 54 10.509 -14.537 1.879 1.00 0.30 H new ATOM 0 HB1 ALA B 54 9.840 -13.734 4.133 1.00 0.27 H new ATOM 0 HB2 ALA B 54 10.612 -12.443 3.181 1.00 0.27 H new ATOM 0 HB3 ALA B 54 8.843 -12.470 3.375 1.00 0.27 H new ATOM 1334 N GLN B 55 7.249 -14.336 1.916 1.00 0.23 N ATOM 1335 CA GLN B 55 6.016 -15.044 2.212 1.00 0.23 C ATOM 1336 C GLN B 55 5.286 -15.455 0.937 1.00 0.27 C ATOM 1337 O GLN B 55 4.380 -16.287 0.973 1.00 0.34 O ATOM 1338 CB GLN B 55 5.117 -14.139 3.034 1.00 0.21 C ATOM 1339 CG GLN B 55 5.796 -13.553 4.245 1.00 0.18 C ATOM 1340 CD GLN B 55 4.923 -12.524 4.900 1.00 0.20 C ATOM 1341 OE1 GLN B 55 4.191 -12.805 5.844 1.00 0.27 O ATOM 1342 NE2 GLN B 55 4.940 -11.339 4.343 1.00 0.19 N ATOM 0 H GLN B 55 7.116 -13.407 1.517 1.00 0.23 H new ATOM 0 HA GLN B 55 6.263 -15.950 2.766 1.00 0.23 H new ATOM 0 HB2 GLN B 55 4.756 -13.328 2.402 1.00 0.21 H new ATOM 0 HB3 GLN B 55 4.243 -14.705 3.356 1.00 0.21 H new ATOM 0 HG2 GLN B 55 6.028 -14.346 4.956 1.00 0.18 H new ATOM 0 HG3 GLN B 55 6.743 -13.100 3.953 1.00 0.18 H new ATOM 0 HE21 GLN B 55 5.566 -11.153 3.560 1.00 0.19 H new ATOM 0 HE22 GLN B 55 4.327 -10.602 4.692 1.00 0.19 H new ATOM 1351 N ALA B 56 5.688 -14.850 -0.181 1.00 0.27 N ATOM 1352 CA ALA B 56 5.001 -15.002 -1.464 1.00 0.32 C ATOM 1353 C ALA B 56 4.688 -16.454 -1.847 1.00 0.38 C ATOM 1354 O ALA B 56 3.542 -16.763 -2.178 1.00 0.41 O ATOM 1355 CB ALA B 56 5.823 -14.328 -2.542 1.00 0.39 C ATOM 0 H ALA B 56 6.503 -14.238 -0.222 1.00 0.27 H new ATOM 0 HA ALA B 56 4.027 -14.523 -1.362 1.00 0.32 H new ATOM 0 HB1 ALA B 56 5.320 -14.435 -3.503 1.00 0.39 H new ATOM 0 HB2 ALA B 56 5.934 -13.270 -2.306 1.00 0.39 H new ATOM 0 HB3 ALA B 56 6.807 -14.793 -2.594 1.00 0.39 H new ATOM 1416 N GLY C 36 -11.445 -7.414 -3.732 1.00 0.40 N ATOM 1417 CA GLY C 36 -10.460 -6.961 -2.779 1.00 0.20 C ATOM 1418 C GLY C 36 -9.673 -5.775 -3.282 1.00 0.15 C ATOM 1419 O GLY C 36 -9.918 -5.275 -4.381 1.00 0.22 O ATOM 0 HA2 GLY C 36 -10.957 -6.694 -1.846 1.00 0.20 H new ATOM 0 HA3 GLY C 36 -9.775 -7.778 -2.553 1.00 0.20 H new ATOM 1423 N VAL C 37 -8.742 -5.311 -2.472 1.00 0.11 N ATOM 1424 CA VAL C 37 -7.849 -4.236 -2.865 1.00 0.09 C ATOM 1425 C VAL C 37 -6.412 -4.720 -2.745 1.00 0.10 C ATOM 1426 O VAL C 37 -6.042 -5.374 -1.767 1.00 0.16 O ATOM 1427 CB VAL C 37 -8.047 -2.974 -1.994 1.00 0.09 C ATOM 1428 CG1 VAL C 37 -9.485 -2.506 -2.044 1.00 0.08 C ATOM 1429 CG2 VAL C 37 -7.621 -3.229 -0.557 1.00 0.10 C ATOM 0 H VAL C 37 -8.583 -5.665 -1.529 1.00 0.11 H new ATOM 0 HA VAL C 37 -8.076 -3.962 -3.895 1.00 0.09 H new ATOM 0 HB VAL C 37 -7.414 -2.186 -2.401 1.00 0.09 H new ATOM 0 HG11 VAL C 37 -9.600 -1.617 -1.424 1.00 0.08 H new ATOM 0 HG12 VAL C 37 -9.755 -2.268 -3.073 1.00 0.08 H new ATOM 0 HG13 VAL C 37 -10.138 -3.295 -1.671 1.00 0.08 H new ATOM 0 HG21 VAL C 37 -7.771 -2.325 0.033 1.00 0.10 H new ATOM 0 HG22 VAL C 37 -8.219 -4.039 -0.138 1.00 0.10 H new ATOM 0 HG23 VAL C 37 -6.567 -3.507 -0.534 1.00 0.10 H new ATOM 1439 N LEU C 38 -5.623 -4.451 -3.753 1.00 0.10 N ATOM 1440 CA LEU C 38 -4.227 -4.830 -3.741 1.00 0.11 C ATOM 1441 C LEU C 38 -3.347 -3.648 -3.358 1.00 0.12 C ATOM 1442 O LEU C 38 -3.502 -2.549 -3.881 1.00 0.20 O ATOM 1443 CB LEU C 38 -3.845 -5.400 -5.113 1.00 0.13 C ATOM 1444 CG LEU C 38 -2.345 -5.481 -5.429 1.00 0.11 C ATOM 1445 CD1 LEU C 38 -1.587 -6.106 -4.293 1.00 0.78 C ATOM 1446 CD2 LEU C 38 -2.099 -6.282 -6.691 1.00 0.74 C ATOM 0 H LEU C 38 -5.923 -3.968 -4.600 1.00 0.10 H new ATOM 0 HA LEU C 38 -4.067 -5.601 -2.988 1.00 0.11 H new ATOM 0 HB2 LEU C 38 -4.265 -6.402 -5.195 1.00 0.13 H new ATOM 0 HB3 LEU C 38 -4.323 -4.791 -5.880 1.00 0.13 H new ATOM 0 HG LEU C 38 -1.990 -4.461 -5.577 1.00 0.11 H new ATOM 0 HD11 LEU C 38 -0.527 -6.151 -4.544 1.00 0.78 H new ATOM 0 HD12 LEU C 38 -1.722 -5.507 -3.392 1.00 0.78 H new ATOM 0 HD13 LEU C 38 -1.961 -7.115 -4.117 1.00 0.78 H new ATOM 0 HD21 LEU C 38 -1.029 -6.324 -6.892 1.00 0.74 H new ATOM 0 HD22 LEU C 38 -2.484 -7.293 -6.561 1.00 0.74 H new ATOM 0 HD23 LEU C 38 -2.607 -5.806 -7.529 1.00 0.74 H new ATOM 1458 N TYR C 39 -2.431 -3.887 -2.430 1.00 0.10 N ATOM 1459 CA TYR C 39 -1.456 -2.894 -2.052 1.00 0.10 C ATOM 1460 C TYR C 39 -0.466 -2.742 -3.181 1.00 0.12 C ATOM 1461 O TYR C 39 0.275 -3.669 -3.507 1.00 0.15 O ATOM 1462 CB TYR C 39 -0.725 -3.306 -0.778 1.00 0.14 C ATOM 1463 CG TYR C 39 0.262 -2.269 -0.283 1.00 0.15 C ATOM 1464 CD1 TYR C 39 1.486 -2.079 -0.916 1.00 1.12 C ATOM 1465 CD2 TYR C 39 -0.023 -1.494 0.825 1.00 1.09 C ATOM 1466 CE1 TYR C 39 2.392 -1.148 -0.458 1.00 1.12 C ATOM 1467 CE2 TYR C 39 0.880 -0.564 1.290 1.00 1.09 C ATOM 1468 CZ TYR C 39 2.085 -0.395 0.648 1.00 0.16 C ATOM 1469 OH TYR C 39 2.986 0.527 1.124 1.00 0.17 O ATOM 0 H TYR C 39 -2.349 -4.770 -1.926 1.00 0.10 H new ATOM 0 HA TYR C 39 -1.962 -1.948 -1.859 1.00 0.10 H new ATOM 0 HB2 TYR C 39 -1.458 -3.501 0.005 1.00 0.14 H new ATOM 0 HB3 TYR C 39 -0.196 -4.242 -0.959 1.00 0.14 H new ATOM 0 HD1 TYR C 39 1.731 -2.673 -1.784 1.00 1.12 H new ATOM 0 HD2 TYR C 39 -0.967 -1.619 1.334 1.00 1.09 H new ATOM 0 HE1 TYR C 39 3.336 -1.012 -0.965 1.00 1.12 H new ATOM 0 HE2 TYR C 39 0.642 0.032 2.158 1.00 1.09 H new ATOM 0 HH TYR C 39 2.618 0.963 1.921 1.00 0.17 H new ATOM 1479 N VAL C 40 -0.468 -1.588 -3.783 1.00 0.10 N ATOM 1480 CA VAL C 40 0.469 -1.303 -4.842 1.00 0.11 C ATOM 1481 C VAL C 40 1.251 -0.040 -4.535 1.00 0.10 C ATOM 1482 O VAL C 40 0.775 0.846 -3.832 1.00 0.10 O ATOM 1483 CB VAL C 40 -0.245 -1.165 -6.197 1.00 0.12 C ATOM 1484 CG1 VAL C 40 -1.168 0.020 -6.206 1.00 0.11 C ATOM 1485 CG2 VAL C 40 0.750 -1.043 -7.331 1.00 0.13 C ATOM 0 H VAL C 40 -1.107 -0.825 -3.562 1.00 0.10 H new ATOM 0 HA VAL C 40 1.162 -2.142 -4.906 1.00 0.11 H new ATOM 0 HB VAL C 40 -0.834 -2.070 -6.343 1.00 0.12 H new ATOM 0 HG11 VAL C 40 -1.658 0.092 -7.177 1.00 0.11 H new ATOM 0 HG12 VAL C 40 -1.921 -0.099 -5.427 1.00 0.11 H new ATOM 0 HG13 VAL C 40 -0.595 0.929 -6.021 1.00 0.11 H new ATOM 0 HG21 VAL C 40 0.215 -0.947 -8.276 1.00 0.13 H new ATOM 0 HG22 VAL C 40 1.373 -0.162 -7.175 1.00 0.13 H new ATOM 0 HG23 VAL C 40 1.380 -1.932 -7.360 1.00 0.13 H new ATOM 1495 N GLY C 41 2.454 0.021 -5.044 1.00 0.10 N ATOM 1496 CA GLY C 41 3.259 1.193 -4.892 1.00 0.09 C ATOM 1497 C GLY C 41 3.785 1.665 -6.218 1.00 0.09 C ATOM 1498 O GLY C 41 3.751 0.923 -7.195 1.00 0.09 O ATOM 0 H GLY C 41 2.895 -0.734 -5.569 1.00 0.10 H new ATOM 0 HA2 GLY C 41 2.670 1.985 -4.428 1.00 0.09 H new ATOM 0 HA3 GLY C 41 4.092 0.981 -4.222 1.00 0.09 H new ATOM 1502 N SER C 42 4.285 2.878 -6.257 1.00 0.11 N ATOM 1503 CA SER C 42 4.849 3.417 -7.474 1.00 0.12 C ATOM 1504 C SER C 42 6.130 4.158 -7.137 1.00 0.15 C ATOM 1505 O SER C 42 6.145 5.101 -6.342 1.00 0.17 O ATOM 1506 CB SER C 42 3.851 4.316 -8.212 1.00 0.12 C ATOM 1507 OG SER C 42 4.332 4.675 -9.497 1.00 0.15 O ATOM 0 H SER C 42 4.313 3.512 -5.459 1.00 0.11 H new ATOM 0 HA SER C 42 5.079 2.597 -8.154 1.00 0.12 H new ATOM 0 HB2 SER C 42 2.896 3.799 -8.310 1.00 0.12 H new ATOM 0 HB3 SER C 42 3.667 5.216 -7.626 1.00 0.12 H new ATOM 0 HG SER C 42 3.674 5.247 -9.945 1.00 0.15 H new ATOM 1513 N LYS C 43 7.202 3.667 -7.710 1.00 0.16 N ATOM 1514 CA LYS C 43 8.539 4.139 -7.432 1.00 0.19 C ATOM 1515 C LYS C 43 8.834 5.428 -8.174 1.00 0.19 C ATOM 1516 O LYS C 43 9.096 5.399 -9.366 1.00 0.19 O ATOM 1517 CB LYS C 43 9.520 3.086 -7.891 1.00 0.20 C ATOM 1518 CG LYS C 43 10.887 3.272 -7.316 1.00 0.23 C ATOM 1519 CD LYS C 43 10.863 2.997 -5.835 1.00 0.28 C ATOM 1520 CE LYS C 43 12.211 3.215 -5.192 1.00 0.34 C ATOM 1521 NZ LYS C 43 12.768 4.563 -5.493 1.00 0.89 N ATOM 0 H LYS C 43 7.170 2.913 -8.396 1.00 0.16 H new ATOM 0 HA LYS C 43 8.627 4.328 -6.362 1.00 0.19 H new ATOM 0 HB2 LYS C 43 9.145 2.101 -7.612 1.00 0.20 H new ATOM 0 HB3 LYS C 43 9.584 3.106 -8.979 1.00 0.20 H new ATOM 0 HG2 LYS C 43 11.592 2.602 -7.808 1.00 0.23 H new ATOM 0 HG3 LYS C 43 11.233 4.289 -7.500 1.00 0.23 H new ATOM 0 HD2 LYS C 43 10.127 3.644 -5.359 1.00 0.28 H new ATOM 0 HD3 LYS C 43 10.542 1.969 -5.663 1.00 0.28 H new ATOM 0 HE2 LYS C 43 12.120 3.094 -4.113 1.00 0.34 H new ATOM 0 HE3 LYS C 43 12.906 2.451 -5.541 1.00 0.34 H new ATOM 0 HZ1 LYS C 43 13.269 4.926 -4.657 1.00 0.89 H new ATOM 0 HZ2 LYS C 43 13.431 4.494 -6.291 1.00 0.89 H new ATOM 0 HZ3 LYS C 43 11.993 5.211 -5.741 1.00 0.89 H new ATOM 1535 N THR C 44 8.848 6.544 -7.471 1.00 0.23 N ATOM 1536 CA THR C 44 8.907 7.841 -8.136 1.00 0.26 C ATOM 1537 C THR C 44 9.969 8.761 -7.518 1.00 0.34 C ATOM 1538 O THR C 44 10.937 8.286 -6.923 1.00 0.37 O ATOM 1539 CB THR C 44 7.538 8.545 -8.085 1.00 0.30 C ATOM 1540 OG1 THR C 44 7.258 9.004 -6.754 1.00 0.39 O ATOM 1541 CG2 THR C 44 6.414 7.630 -8.535 1.00 0.26 C ATOM 0 H THR C 44 8.820 6.585 -6.452 1.00 0.23 H new ATOM 0 HA THR C 44 9.183 7.647 -9.172 1.00 0.26 H new ATOM 0 HB THR C 44 7.592 9.392 -8.769 1.00 0.30 H new ATOM 0 HG1 THR C 44 6.386 9.450 -6.739 1.00 0.39 H new ATOM 0 HG21 THR C 44 5.466 8.166 -8.484 1.00 0.26 H new ATOM 0 HG22 THR C 44 6.595 7.309 -9.561 1.00 0.26 H new ATOM 0 HG23 THR C 44 6.373 6.757 -7.884 1.00 0.26 H new ATOM 1549 N LYS C 45 9.785 10.075 -7.677 1.00 0.40 N ATOM 1550 CA LYS C 45 10.708 11.068 -7.129 1.00 0.49 C ATOM 1551 C LYS C 45 10.616 11.118 -5.602 1.00 0.50 C ATOM 1552 O LYS C 45 11.625 11.292 -4.918 1.00 0.57 O ATOM 1553 CB LYS C 45 10.415 12.446 -7.727 1.00 0.59 C ATOM 1554 CG LYS C 45 11.319 13.556 -7.208 1.00 1.53 C ATOM 1555 CD LYS C 45 12.790 13.288 -7.503 1.00 2.10 C ATOM 1556 CE LYS C 45 13.070 13.220 -8.995 1.00 2.43 C ATOM 1557 NZ LYS C 45 12.743 14.496 -9.689 1.00 3.18 N ATOM 0 H LYS C 45 8.997 10.476 -8.186 1.00 0.40 H new ATOM 0 HA LYS C 45 11.724 10.776 -7.396 1.00 0.49 H new ATOM 0 HB2 LYS C 45 10.515 12.388 -8.811 1.00 0.59 H new ATOM 0 HB3 LYS C 45 9.378 12.708 -7.516 1.00 0.59 H new ATOM 0 HG2 LYS C 45 11.026 14.503 -7.662 1.00 1.53 H new ATOM 0 HG3 LYS C 45 11.180 13.662 -6.132 1.00 1.53 H new ATOM 0 HD2 LYS C 45 13.398 14.074 -7.056 1.00 2.10 H new ATOM 0 HD3 LYS C 45 13.088 12.350 -7.035 1.00 2.10 H new ATOM 0 HE2 LYS C 45 14.121 12.981 -9.155 1.00 2.43 H new ATOM 0 HE3 LYS C 45 12.488 12.410 -9.435 1.00 2.43 H new ATOM 0 HZ1 LYS C 45 13.119 14.470 -10.658 1.00 3.18 H new ATOM 0 HZ2 LYS C 45 11.711 14.619 -9.721 1.00 3.18 H new ATOM 0 HZ3 LYS C 45 13.170 15.291 -9.173 1.00 3.18 H new ATOM 1571 N GLU C 46 9.405 10.949 -5.074 1.00 0.47 N ATOM 1572 CA GLU C 46 9.215 10.827 -3.629 1.00 0.51 C ATOM 1573 C GLU C 46 9.824 9.500 -3.215 1.00 0.48 C ATOM 1574 O GLU C 46 10.413 9.347 -2.146 1.00 0.55 O ATOM 1575 CB GLU C 46 7.721 10.860 -3.292 1.00 0.51 C ATOM 1576 CG GLU C 46 7.002 12.069 -3.867 1.00 0.63 C ATOM 1577 CD GLU C 46 5.494 11.963 -3.770 1.00 0.73 C ATOM 1578 OE1 GLU C 46 4.891 11.220 -4.573 1.00 0.72 O ATOM 1579 OE2 GLU C 46 4.906 12.599 -2.869 1.00 0.88 O ATOM 0 H GLU C 46 8.546 10.894 -5.621 1.00 0.47 H new ATOM 0 HA GLU C 46 9.691 11.652 -3.098 1.00 0.51 H new ATOM 0 HB2 GLU C 46 7.250 9.952 -3.670 1.00 0.51 H new ATOM 0 HB3 GLU C 46 7.600 10.855 -2.209 1.00 0.51 H new ATOM 0 HG2 GLU C 46 7.332 12.965 -3.341 1.00 0.63 H new ATOM 0 HG3 GLU C 46 7.286 12.190 -4.912 1.00 0.63 H new ATOM 1586 N GLY C 47 9.643 8.552 -4.106 1.00 0.38 N ATOM 1587 CA GLY C 47 10.437 7.357 -4.137 1.00 0.40 C ATOM 1588 C GLY C 47 9.668 6.120 -3.792 1.00 0.31 C ATOM 1589 O GLY C 47 10.059 5.054 -4.203 1.00 0.38 O ATOM 0 H GLY C 47 8.931 8.595 -4.835 1.00 0.38 H new ATOM 0 HA2 GLY C 47 10.867 7.242 -5.132 1.00 0.40 H new ATOM 0 HA3 GLY C 47 11.268 7.465 -3.440 1.00 0.40 H new ATOM 1593 N VAL C 48 8.564 6.252 -3.076 1.00 0.21 N ATOM 1594 CA VAL C 48 7.590 5.172 -2.939 1.00 0.15 C ATOM 1595 C VAL C 48 6.234 5.758 -2.570 1.00 0.10 C ATOM 1596 O VAL C 48 6.120 6.469 -1.572 1.00 0.12 O ATOM 1597 CB VAL C 48 8.033 4.074 -1.914 1.00 0.15 C ATOM 1598 CG1 VAL C 48 6.858 3.348 -1.299 1.00 0.15 C ATOM 1599 CG2 VAL C 48 8.943 3.053 -2.571 1.00 0.20 C ATOM 0 H VAL C 48 8.315 7.104 -2.574 1.00 0.21 H new ATOM 0 HA VAL C 48 7.519 4.665 -3.901 1.00 0.15 H new ATOM 0 HB VAL C 48 8.568 4.599 -1.123 1.00 0.15 H new ATOM 0 HG11 VAL C 48 7.221 2.598 -0.596 1.00 0.15 H new ATOM 0 HG12 VAL C 48 6.224 4.062 -0.773 1.00 0.15 H new ATOM 0 HG13 VAL C 48 6.280 2.860 -2.084 1.00 0.15 H new ATOM 0 HG21 VAL C 48 9.236 2.302 -1.838 1.00 0.20 H new ATOM 0 HG22 VAL C 48 8.415 2.571 -3.393 1.00 0.20 H new ATOM 0 HG23 VAL C 48 9.833 3.552 -2.955 1.00 0.20 H new ATOM 1609 N VAL C 49 5.218 5.502 -3.374 1.00 0.09 N ATOM 1610 CA VAL C 49 3.871 5.896 -3.000 1.00 0.07 C ATOM 1611 C VAL C 49 3.035 4.668 -2.714 1.00 0.08 C ATOM 1612 O VAL C 49 3.196 3.635 -3.358 1.00 0.12 O ATOM 1613 CB VAL C 49 3.168 6.767 -4.067 1.00 0.07 C ATOM 1614 CG1 VAL C 49 2.966 6.003 -5.372 1.00 0.07 C ATOM 1615 CG2 VAL C 49 1.837 7.272 -3.523 1.00 0.09 C ATOM 0 H VAL C 49 5.296 5.031 -4.275 1.00 0.09 H new ATOM 0 HA VAL C 49 3.965 6.510 -2.104 1.00 0.07 H new ATOM 0 HB VAL C 49 3.809 7.620 -4.290 1.00 0.07 H new ATOM 0 HG11 VAL C 49 2.469 6.647 -6.098 1.00 0.07 H new ATOM 0 HG12 VAL C 49 3.934 5.692 -5.765 1.00 0.07 H new ATOM 0 HG13 VAL C 49 2.350 5.123 -5.187 1.00 0.07 H new ATOM 0 HG21 VAL C 49 1.345 7.885 -4.278 1.00 0.09 H new ATOM 0 HG22 VAL C 49 1.200 6.423 -3.273 1.00 0.09 H new ATOM 0 HG23 VAL C 49 2.013 7.869 -2.628 1.00 0.09 H new ATOM 1625 N HIS C 50 2.161 4.783 -1.737 1.00 0.08 N ATOM 1626 CA HIS C 50 1.306 3.684 -1.349 1.00 0.09 C ATOM 1627 C HIS C 50 -0.067 3.881 -1.961 1.00 0.07 C ATOM 1628 O HIS C 50 -0.784 4.828 -1.626 1.00 0.09 O ATOM 1629 CB HIS C 50 1.197 3.600 0.174 1.00 0.13 C ATOM 1630 CG HIS C 50 2.435 4.046 0.891 1.00 0.17 C ATOM 1631 ND1 HIS C 50 3.557 3.258 0.958 1.00 0.23 N ATOM 1632 CD2 HIS C 50 2.674 5.213 1.531 1.00 0.20 C ATOM 1633 CE1 HIS C 50 4.449 3.958 1.635 1.00 0.28 C ATOM 1634 NE2 HIS C 50 3.959 5.151 2.003 1.00 0.26 N ATOM 0 H HIS C 50 2.024 5.635 -1.193 1.00 0.08 H new ATOM 0 HA HIS C 50 1.737 2.750 -1.711 1.00 0.09 H new ATOM 0 HB2 HIS C 50 0.357 4.211 0.504 1.00 0.13 H new ATOM 0 HB3 HIS C 50 0.974 2.571 0.457 1.00 0.13 H new ATOM 0 HD1 HIS C 50 3.677 2.324 0.566 1.00 0.23 H new ATOM 0 HD2 HIS C 50 1.984 6.036 1.648 1.00 0.20 H new ATOM 0 HE1 HIS C 50 5.447 3.613 1.863 1.00 0.28 H new ATOM 1642 N GLY C 51 -0.408 3.016 -2.887 1.00 0.06 N ATOM 1643 CA GLY C 51 -1.691 3.090 -3.527 1.00 0.05 C ATOM 1644 C GLY C 51 -2.421 1.779 -3.441 1.00 0.06 C ATOM 1645 O GLY C 51 -1.973 0.855 -2.758 1.00 0.07 O ATOM 0 H GLY C 51 0.188 2.254 -3.211 1.00 0.06 H new ATOM 0 HA2 GLY C 51 -2.288 3.873 -3.059 1.00 0.05 H new ATOM 0 HA3 GLY C 51 -1.562 3.369 -4.573 1.00 0.05 H new ATOM 1649 N VAL C 52 -3.532 1.676 -4.137 1.00 0.07 N ATOM 1650 CA VAL C 52 -4.334 0.480 -4.065 1.00 0.08 C ATOM 1651 C VAL C 52 -4.897 0.115 -5.413 1.00 0.09 C ATOM 1652 O VAL C 52 -5.452 0.948 -6.114 1.00 0.09 O ATOM 1653 CB VAL C 52 -5.470 0.590 -2.998 1.00 0.08 C ATOM 1654 CG1 VAL C 52 -5.739 2.033 -2.593 1.00 0.08 C ATOM 1655 CG2 VAL C 52 -6.768 -0.027 -3.481 1.00 0.08 C ATOM 0 H VAL C 52 -3.897 2.402 -4.754 1.00 0.07 H new ATOM 0 HA VAL C 52 -3.669 -0.322 -3.745 1.00 0.08 H new ATOM 0 HB VAL C 52 -5.110 0.036 -2.131 1.00 0.08 H new ATOM 0 HG11 VAL C 52 -6.536 2.060 -1.850 1.00 0.08 H new ATOM 0 HG12 VAL C 52 -4.833 2.467 -2.169 1.00 0.08 H new ATOM 0 HG13 VAL C 52 -6.041 2.607 -3.469 1.00 0.08 H new ATOM 0 HG21 VAL C 52 -7.529 0.073 -2.707 1.00 0.08 H new ATOM 0 HG22 VAL C 52 -7.100 0.485 -4.384 1.00 0.08 H new ATOM 0 HG23 VAL C 52 -6.610 -1.083 -3.700 1.00 0.08 H new ATOM 1665 N ALA C 53 -4.739 -1.144 -5.761 1.00 0.10 N ATOM 1666 CA ALA C 53 -5.301 -1.665 -6.974 1.00 0.10 C ATOM 1667 C ALA C 53 -6.520 -2.482 -6.615 1.00 0.09 C ATOM 1668 O ALA C 53 -6.404 -3.591 -6.102 1.00 0.12 O ATOM 1669 CB ALA C 53 -4.283 -2.529 -7.701 1.00 0.11 C ATOM 0 H ALA C 53 -4.219 -1.827 -5.210 1.00 0.10 H new ATOM 0 HA ALA C 53 -5.580 -0.847 -7.638 1.00 0.10 H new ATOM 0 HB1 ALA C 53 -4.724 -2.917 -8.619 1.00 0.11 H new ATOM 0 HB2 ALA C 53 -3.406 -1.930 -7.945 1.00 0.11 H new ATOM 0 HB3 ALA C 53 -3.988 -3.360 -7.061 1.00 0.11 H new ATOM 1675 N THR C 54 -7.685 -1.944 -6.873 1.00 0.09 N ATOM 1676 CA THR C 54 -8.901 -2.612 -6.449 1.00 0.12 C ATOM 1677 C THR C 54 -9.334 -3.625 -7.494 1.00 0.19 C ATOM 1678 O THR C 54 -9.720 -3.275 -8.612 1.00 0.45 O ATOM 1679 CB THR C 54 -10.033 -1.611 -6.143 1.00 0.14 C ATOM 1680 OG1 THR C 54 -11.278 -2.298 -5.947 1.00 0.23 O ATOM 1681 CG2 THR C 54 -10.168 -0.594 -7.255 1.00 0.14 C ATOM 0 H THR C 54 -7.823 -1.061 -7.365 1.00 0.09 H new ATOM 0 HA THR C 54 -8.686 -3.138 -5.519 1.00 0.12 H new ATOM 0 HB THR C 54 -9.776 -1.085 -5.223 1.00 0.14 H new ATOM 0 HG1 THR C 54 -11.984 -1.647 -5.752 1.00 0.23 H new ATOM 0 HG21 THR C 54 -10.973 0.101 -7.016 1.00 0.14 H new ATOM 0 HG22 THR C 54 -9.233 -0.044 -7.361 1.00 0.14 H new ATOM 0 HG23 THR C 54 -10.396 -1.106 -8.190 1.00 0.14 H new ATOM 1689 N VAL C 55 -9.269 -4.885 -7.110 1.00 0.23 N ATOM 1690 CA VAL C 55 -9.486 -5.977 -8.031 1.00 0.29 C ATOM 1691 C VAL C 55 -10.932 -6.452 -7.987 1.00 0.36 C ATOM 1692 O VAL C 55 -11.468 -6.777 -6.926 1.00 0.35 O ATOM 1693 CB VAL C 55 -8.514 -7.144 -7.741 1.00 0.29 C ATOM 1694 CG1 VAL C 55 -8.487 -7.481 -6.252 1.00 0.23 C ATOM 1695 CG2 VAL C 55 -8.874 -8.361 -8.577 1.00 0.39 C ATOM 0 H VAL C 55 -9.065 -5.177 -6.154 1.00 0.23 H new ATOM 0 HA VAL C 55 -9.285 -5.610 -9.038 1.00 0.29 H new ATOM 0 HB VAL C 55 -7.510 -6.828 -8.022 1.00 0.29 H new ATOM 0 HG11 VAL C 55 -7.795 -8.305 -6.078 1.00 0.23 H new ATOM 0 HG12 VAL C 55 -8.161 -6.608 -5.687 1.00 0.23 H new ATOM 0 HG13 VAL C 55 -9.486 -7.771 -5.926 1.00 0.23 H new ATOM 0 HG21 VAL C 55 -8.178 -9.171 -8.358 1.00 0.39 H new ATOM 0 HG22 VAL C 55 -9.889 -8.679 -8.338 1.00 0.39 H new ATOM 0 HG23 VAL C 55 -8.814 -8.106 -9.635 1.00 0.39 H new ATOM 1705 N ALA C 56 -11.553 -6.475 -9.152 1.00 0.49 N ATOM 1706 CA ALA C 56 -12.948 -6.849 -9.277 1.00 0.64 C ATOM 1707 C ALA C 56 -13.117 -8.360 -9.160 1.00 0.75 C ATOM 1708 O ALA C 56 -13.647 -8.822 -8.132 1.00 1.43 O ATOM 1709 CB ALA C 56 -13.493 -6.339 -10.600 1.00 0.86 C ATOM 1710 OXT ALA C 56 -12.700 -9.085 -10.085 1.00 1.16 O ATOM 0 H ALA C 56 -11.105 -6.235 -10.036 1.00 0.49 H new ATOM 0 HA ALA C 56 -13.514 -6.393 -8.464 1.00 0.64 H new ATOM 0 HB1 ALA C 56 -14.542 -6.620 -10.694 1.00 0.86 H new ATOM 0 HB2 ALA C 56 -13.404 -5.253 -10.636 1.00 0.86 H new ATOM 0 HB3 ALA C 56 -12.925 -6.777 -11.421 1.00 0.86 H new