USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=17 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 98:sc= 0.571 USER MOD Set 1.2: C 50 HIS : no HD1:sc= -1.8! K(o=-1.2!,f=-3.8) USER MOD Set 2.1: B 21 ASN : amide:sc= -3.99! C(o=-4.9!,f=-4.6!) USER MOD Set 2.2: B 52 ASN : amide:sc= -0.951 K(o=-4.9,f=-3.6) USER MOD Set 3.1: A 21 ASN : amide:sc= -1.86! X(o=-2.9!,f=-2.5) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.03 K(o=-2.9,f=-1.6) USER MOD Set 4.1: A 35 HIS : no HD1:sc=-0.00264 K(o=-11,f=-1) USER MOD Set 4.2: B 23 ASN : amide:sc= -4.3! K(o=-11!,f=-1) USER MOD Set 4.3: B 26 GLN : amide:sc= -4.78! K(o=-11!,f=-1) USER MOD Set 4.4: B 55 GLN : amide:sc= -2.16 K(o=-11,f=-1) USER MOD Single : A 18 TYR OH : rot 83:sc= -3.5! USER MOD Single : A 23 ASN : amide:sc= -2.51 X(o=-2.5,f=-2.3) USER MOD Single : A 26 GLN : amide:sc= -0.966 K(o=-0.97,f=-0.25) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 77:sc= 0.00124 USER MOD Single : A 39 SER OG : rot 97:sc= 1.26 USER MOD Single : A 40 GLN : amide:sc= -0.359 K(o=-0.36,f=-4.9!) USER MOD Single : A 41 SER OG : rot -97:sc= 0.129 USER MOD Single : A 43 ASN : amide:sc= -2.99! K(o=-3!,f=-0.39) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 1.25 (180deg=1.02) USER MOD Single : A 55 GLN : amide:sc= -0.0861 X(o=-0.086,f=-0.4) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 HIS : no HE2:sc= -0.559 K(o=-0.56,f=-1.6) USER MOD Single : B 33 SER OG : rot 71:sc= 0.0783 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= -0.329 X(o=-0.33,f=-0.33) USER MOD Single : B 41 SER OG : rot -161:sc= 0.905 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 172:sc= -0.0269 (180deg=-0.0637) USER MOD Single : B 50 LYS NZ :NH3+ -171:sc= -0.019 (180deg=-0.188) USER MOD Single : C 42 SER OG : rot 180:sc= -0.517 USER MOD Single : C 43 LYS NZ :NH3+ 141:sc= -0.384 (180deg=-0.977) USER MOD Single : C 44 THR OG1 : rot 180:sc= 0.139 USER MOD Single : C 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N GLU A 15 -7.807 -1.652 -10.719 1.00 0.31 N ATOM 23 CA GLU A 15 -7.396 -0.283 -10.961 1.00 0.18 C ATOM 24 C GLU A 15 -6.811 0.349 -9.706 1.00 0.13 C ATOM 25 O GLU A 15 -7.171 -0.018 -8.591 1.00 0.17 O ATOM 26 CB GLU A 15 -8.602 0.479 -11.471 1.00 0.24 C ATOM 27 CG GLU A 15 -9.590 0.861 -10.404 1.00 0.30 C ATOM 28 CD GLU A 15 -10.949 1.203 -10.977 1.00 0.58 C ATOM 29 OE1 GLU A 15 -11.772 0.278 -11.149 1.00 1.58 O ATOM 30 OE2 GLU A 15 -11.201 2.392 -11.266 1.00 0.94 O ATOM 0 HA GLU A 15 -6.603 -0.253 -11.708 1.00 0.18 H new ATOM 0 HB2 GLU A 15 -8.260 1.384 -11.973 1.00 0.24 H new ATOM 0 HB3 GLU A 15 -9.111 -0.128 -12.220 1.00 0.24 H new ATOM 0 HG2 GLU A 15 -9.693 0.039 -9.696 1.00 0.30 H new ATOM 0 HG3 GLU A 15 -9.207 1.716 -9.847 1.00 0.30 H new ATOM 37 N ILE A 16 -5.910 1.299 -9.896 1.00 0.12 N ATOM 38 CA ILE A 16 -5.122 1.827 -8.795 1.00 0.11 C ATOM 39 C ILE A 16 -5.649 3.166 -8.297 1.00 0.10 C ATOM 40 O ILE A 16 -6.205 3.961 -9.054 1.00 0.14 O ATOM 41 CB ILE A 16 -3.645 2.018 -9.192 1.00 0.12 C ATOM 42 CG1 ILE A 16 -3.110 0.781 -9.913 1.00 0.13 C ATOM 43 CG2 ILE A 16 -2.804 2.310 -7.957 1.00 0.11 C ATOM 44 CD1 ILE A 16 -2.553 -0.258 -8.984 1.00 0.12 C ATOM 0 H ILE A 16 -5.706 1.720 -10.802 1.00 0.12 H new ATOM 0 HA ILE A 16 -5.203 1.087 -7.999 1.00 0.11 H new ATOM 0 HB ILE A 16 -3.581 2.865 -9.874 1.00 0.12 H new ATOM 0 HG12 ILE A 16 -3.913 0.338 -10.502 1.00 0.13 H new ATOM 0 HG13 ILE A 16 -2.332 1.086 -10.613 1.00 0.13 H new ATOM 0 HG21 ILE A 16 -1.762 2.443 -8.249 1.00 0.11 H new ATOM 0 HG22 ILE A 16 -3.165 3.220 -7.477 1.00 0.11 H new ATOM 0 HG23 ILE A 16 -2.881 1.477 -7.259 1.00 0.11 H new ATOM 0 HD11 ILE A 16 -2.191 -1.108 -9.563 1.00 0.12 H new ATOM 0 HD12 ILE A 16 -1.729 0.169 -8.413 1.00 0.12 H new ATOM 0 HD13 ILE A 16 -3.334 -0.591 -8.300 1.00 0.12 H new ATOM 56 N PHE A 17 -5.457 3.387 -7.011 1.00 0.09 N ATOM 57 CA PHE A 17 -5.773 4.642 -6.356 1.00 0.09 C ATOM 58 C PHE A 17 -4.701 4.938 -5.315 1.00 0.07 C ATOM 59 O PHE A 17 -4.598 4.229 -4.325 1.00 0.07 O ATOM 60 CB PHE A 17 -7.147 4.543 -5.689 1.00 0.09 C ATOM 61 CG PHE A 17 -8.272 4.414 -6.674 1.00 0.12 C ATOM 62 CD1 PHE A 17 -8.735 5.522 -7.362 1.00 1.11 C ATOM 63 CD2 PHE A 17 -8.855 3.183 -6.923 1.00 1.24 C ATOM 64 CE1 PHE A 17 -9.760 5.407 -8.279 1.00 1.09 C ATOM 65 CE2 PHE A 17 -9.883 3.062 -7.836 1.00 1.28 C ATOM 66 CZ PHE A 17 -10.335 4.176 -8.516 1.00 0.22 C ATOM 0 H PHE A 17 -5.069 2.686 -6.380 1.00 0.09 H new ATOM 0 HA PHE A 17 -5.799 5.449 -7.088 1.00 0.09 H new ATOM 0 HB2 PHE A 17 -7.158 3.683 -5.019 1.00 0.09 H new ATOM 0 HB3 PHE A 17 -7.310 5.428 -5.074 1.00 0.09 H new ATOM 0 HD1 PHE A 17 -8.289 6.488 -7.179 1.00 1.11 H new ATOM 0 HD2 PHE A 17 -8.502 2.308 -6.397 1.00 1.24 H new ATOM 0 HE1 PHE A 17 -10.111 6.279 -8.810 1.00 1.09 H new ATOM 0 HE2 PHE A 17 -10.333 2.097 -8.018 1.00 1.28 H new ATOM 0 HZ PHE A 17 -11.138 4.083 -9.232 1.00 0.22 H new ATOM 76 N TYR A 18 -3.874 5.948 -5.548 1.00 0.07 N ATOM 77 CA TYR A 18 -2.790 6.252 -4.615 1.00 0.06 C ATOM 78 C TYR A 18 -3.262 7.168 -3.499 1.00 0.07 C ATOM 79 O TYR A 18 -4.057 8.084 -3.725 1.00 0.09 O ATOM 80 CB TYR A 18 -1.602 6.891 -5.332 1.00 0.06 C ATOM 81 CG TYR A 18 -1.126 6.097 -6.522 1.00 0.06 C ATOM 82 CD1 TYR A 18 -0.307 4.982 -6.373 1.00 1.15 C ATOM 83 CD2 TYR A 18 -1.510 6.463 -7.798 1.00 1.19 C ATOM 84 CE1 TYR A 18 0.116 4.257 -7.473 1.00 1.16 C ATOM 85 CE2 TYR A 18 -1.097 5.750 -8.897 1.00 1.20 C ATOM 86 CZ TYR A 18 -0.287 4.653 -8.736 1.00 0.09 C ATOM 87 OH TYR A 18 0.116 3.949 -9.842 1.00 0.10 O ATOM 0 H TYR A 18 -3.928 6.563 -6.360 1.00 0.07 H new ATOM 0 HA TYR A 18 -2.470 5.305 -4.181 1.00 0.06 H new ATOM 0 HB2 TYR A 18 -1.880 7.892 -5.660 1.00 0.06 H new ATOM 0 HB3 TYR A 18 -0.779 7.004 -4.627 1.00 0.06 H new ATOM 0 HD1 TYR A 18 0.003 4.678 -5.384 1.00 1.15 H new ATOM 0 HD2 TYR A 18 -2.146 7.325 -7.934 1.00 1.19 H new ATOM 0 HE1 TYR A 18 0.752 3.393 -7.347 1.00 1.16 H new ATOM 0 HE2 TYR A 18 -1.409 6.052 -9.886 1.00 1.20 H new ATOM 0 HH TYR A 18 -0.472 3.176 -9.970 1.00 0.10 H new ATOM 97 N LEU A 19 -2.765 6.921 -2.291 1.00 0.07 N ATOM 98 CA LEU A 19 -3.101 7.742 -1.139 1.00 0.08 C ATOM 99 C LEU A 19 -1.822 8.253 -0.489 1.00 0.11 C ATOM 100 O LEU A 19 -1.478 7.844 0.615 1.00 0.12 O ATOM 101 CB LEU A 19 -3.884 6.956 -0.077 1.00 0.07 C ATOM 102 CG LEU A 19 -5.184 6.265 -0.512 1.00 0.07 C ATOM 103 CD1 LEU A 19 -6.094 7.215 -1.263 1.00 0.08 C ATOM 104 CD2 LEU A 19 -4.905 5.020 -1.329 1.00 0.08 C ATOM 0 H LEU A 19 -2.125 6.154 -2.087 1.00 0.07 H new ATOM 0 HA LEU A 19 -3.722 8.562 -1.500 1.00 0.08 H new ATOM 0 HB2 LEU A 19 -3.221 6.194 0.333 1.00 0.07 H new ATOM 0 HB3 LEU A 19 -4.124 7.640 0.737 1.00 0.07 H new ATOM 0 HG LEU A 19 -5.703 5.957 0.395 1.00 0.07 H new ATOM 0 HD11 LEU A 19 -7.004 6.692 -1.555 1.00 0.08 H new ATOM 0 HD12 LEU A 19 -6.350 8.058 -0.621 1.00 0.08 H new ATOM 0 HD13 LEU A 19 -5.583 7.580 -2.154 1.00 0.08 H new ATOM 0 HD21 LEU A 19 -5.848 4.557 -1.620 1.00 0.08 H new ATOM 0 HD22 LEU A 19 -4.342 5.290 -2.223 1.00 0.08 H new ATOM 0 HD23 LEU A 19 -4.324 4.316 -0.733 1.00 0.08 H new ATOM 116 N PRO A 20 -1.112 9.179 -1.141 1.00 0.13 N ATOM 117 CA PRO A 20 0.175 9.671 -0.642 1.00 0.16 C ATOM 118 C PRO A 20 0.012 10.672 0.488 1.00 0.22 C ATOM 119 O PRO A 20 0.975 11.299 0.929 1.00 0.28 O ATOM 120 CB PRO A 20 0.764 10.364 -1.857 1.00 0.16 C ATOM 121 CG PRO A 20 -0.428 10.879 -2.589 1.00 0.16 C ATOM 122 CD PRO A 20 -1.496 9.838 -2.406 1.00 0.13 C ATOM 0 HA PRO A 20 0.790 8.869 -0.234 1.00 0.16 H new ATOM 0 HB2 PRO A 20 1.436 11.172 -1.569 1.00 0.16 H new ATOM 0 HB3 PRO A 20 1.342 9.673 -2.470 1.00 0.16 H new ATOM 0 HG2 PRO A 20 -0.747 11.842 -2.190 1.00 0.16 H new ATOM 0 HG3 PRO A 20 -0.204 11.030 -3.645 1.00 0.16 H new ATOM 0 HD2 PRO A 20 -2.488 10.286 -2.342 1.00 0.13 H new ATOM 0 HD3 PRO A 20 -1.518 9.133 -3.237 1.00 0.13 H new ATOM 130 N ASN A 21 -1.214 10.819 0.949 1.00 0.22 N ATOM 131 CA ASN A 21 -1.525 11.807 1.964 1.00 0.27 C ATOM 132 C ASN A 21 -1.663 11.143 3.307 1.00 0.25 C ATOM 133 O ASN A 21 -1.358 11.721 4.345 1.00 0.31 O ATOM 134 CB ASN A 21 -2.824 12.521 1.612 1.00 0.30 C ATOM 135 CG ASN A 21 -2.687 13.383 0.376 1.00 0.54 C ATOM 136 OD1 ASN A 21 -1.600 13.854 0.050 1.00 1.15 O ATOM 137 ND2 ASN A 21 -3.792 13.609 -0.309 1.00 0.35 N ATOM 0 H ASN A 21 -2.012 10.266 0.637 1.00 0.22 H new ATOM 0 HA ASN A 21 -0.714 12.534 2.007 1.00 0.27 H new ATOM 0 HB2 ASN A 21 -3.610 11.783 1.453 1.00 0.30 H new ATOM 0 HB3 ASN A 21 -3.135 13.141 2.453 1.00 0.30 H new ATOM 0 HD21 ASN A 21 -3.764 14.194 -1.144 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -4.674 13.198 -0.004 1.00 0.35 H new ATOM 144 N LEU A 22 -2.084 9.903 3.259 1.00 0.18 N ATOM 145 CA LEU A 22 -2.467 9.176 4.449 1.00 0.17 C ATOM 146 C LEU A 22 -1.220 8.653 5.138 1.00 0.20 C ATOM 147 O LEU A 22 -0.428 7.936 4.530 1.00 0.35 O ATOM 148 CB LEU A 22 -3.412 8.042 4.041 1.00 0.14 C ATOM 149 CG LEU A 22 -4.522 8.499 3.091 1.00 0.11 C ATOM 150 CD1 LEU A 22 -5.555 7.412 2.843 1.00 0.09 C ATOM 151 CD2 LEU A 22 -5.183 9.751 3.627 1.00 0.11 C ATOM 0 H LEU A 22 -2.172 9.368 2.395 1.00 0.18 H new ATOM 0 HA LEU A 22 -2.988 9.823 5.155 1.00 0.17 H new ATOM 0 HB2 LEU A 22 -2.835 7.251 3.562 1.00 0.14 H new ATOM 0 HB3 LEU A 22 -3.862 7.612 4.936 1.00 0.14 H new ATOM 0 HG LEU A 22 -4.059 8.720 2.130 1.00 0.11 H new ATOM 0 HD11 LEU A 22 -6.321 7.786 2.163 1.00 0.09 H new ATOM 0 HD12 LEU A 22 -5.069 6.543 2.400 1.00 0.09 H new ATOM 0 HD13 LEU A 22 -6.017 7.127 3.788 1.00 0.09 H new ATOM 0 HD21 LEU A 22 -5.971 10.067 2.944 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -5.614 9.544 4.607 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -4.441 10.544 3.717 1.00 0.11 H new ATOM 163 N ASN A 23 -1.016 9.048 6.388 1.00 0.17 N ATOM 164 CA ASN A 23 0.172 8.630 7.110 1.00 0.20 C ATOM 165 C ASN A 23 0.135 7.133 7.344 1.00 0.24 C ATOM 166 O ASN A 23 -0.943 6.540 7.324 1.00 0.34 O ATOM 167 CB ASN A 23 0.333 9.396 8.433 1.00 0.33 C ATOM 168 CG ASN A 23 -0.706 9.057 9.479 1.00 0.66 C ATOM 169 OD1 ASN A 23 -1.791 9.627 9.492 1.00 1.47 O ATOM 170 ND2 ASN A 23 -0.358 8.173 10.395 1.00 0.99 N ATOM 0 H ASN A 23 -1.650 9.649 6.915 1.00 0.17 H new ATOM 0 HA ASN A 23 1.043 8.868 6.499 1.00 0.20 H new ATOM 0 HB2 ASN A 23 1.323 9.190 8.841 1.00 0.33 H new ATOM 0 HB3 ASN A 23 0.289 10.466 8.228 1.00 0.33 H new ATOM 0 HD21 ASN A 23 -1.002 7.941 11.151 1.00 0.99 H new ATOM 0 HD22 ASN A 23 0.555 7.721 10.347 1.00 0.99 H new ATOM 177 N PRO A 24 1.303 6.505 7.537 1.00 0.22 N ATOM 178 CA PRO A 24 1.434 5.047 7.626 1.00 0.23 C ATOM 179 C PRO A 24 0.342 4.378 8.462 1.00 0.23 C ATOM 180 O PRO A 24 -0.124 3.289 8.128 1.00 0.23 O ATOM 181 CB PRO A 24 2.797 4.871 8.286 1.00 0.25 C ATOM 182 CG PRO A 24 3.586 6.050 7.846 1.00 0.24 C ATOM 183 CD PRO A 24 2.608 7.179 7.673 1.00 0.22 C ATOM 0 HA PRO A 24 1.337 4.577 6.647 1.00 0.23 H new ATOM 0 HB2 PRO A 24 2.709 4.836 9.372 1.00 0.25 H new ATOM 0 HB3 PRO A 24 3.270 3.940 7.975 1.00 0.25 H new ATOM 0 HG2 PRO A 24 4.346 6.305 8.584 1.00 0.24 H new ATOM 0 HG3 PRO A 24 4.107 5.841 6.911 1.00 0.24 H new ATOM 0 HD2 PRO A 24 2.621 7.853 8.529 1.00 0.22 H new ATOM 0 HD3 PRO A 24 2.841 7.778 6.793 1.00 0.22 H new ATOM 191 N ASP A 25 -0.091 5.049 9.523 1.00 0.22 N ATOM 192 CA ASP A 25 -1.107 4.494 10.411 1.00 0.23 C ATOM 193 C ASP A 25 -2.445 4.406 9.688 1.00 0.24 C ATOM 194 O ASP A 25 -3.123 3.380 9.737 1.00 0.27 O ATOM 195 CB ASP A 25 -1.250 5.351 11.667 1.00 0.28 C ATOM 196 CG ASP A 25 -2.159 4.720 12.701 1.00 0.97 C ATOM 197 OD1 ASP A 25 -3.380 4.964 12.658 1.00 1.67 O ATOM 198 OD2 ASP A 25 -1.650 3.980 13.568 1.00 1.66 O ATOM 0 H ASP A 25 0.244 5.975 9.789 1.00 0.22 H new ATOM 0 HA ASP A 25 -0.795 3.492 10.707 1.00 0.23 H new ATOM 0 HB2 ASP A 25 -0.265 5.514 12.105 1.00 0.28 H new ATOM 0 HB3 ASP A 25 -1.643 6.330 11.392 1.00 0.28 H new ATOM 203 N GLN A 26 -2.800 5.481 8.994 1.00 0.23 N ATOM 204 CA GLN A 26 -4.037 5.530 8.220 1.00 0.25 C ATOM 205 C GLN A 26 -3.967 4.545 7.072 1.00 0.25 C ATOM 206 O GLN A 26 -4.886 3.761 6.839 1.00 0.26 O ATOM 207 CB GLN A 26 -4.222 6.922 7.649 1.00 0.26 C ATOM 208 CG GLN A 26 -4.077 8.011 8.678 1.00 0.29 C ATOM 209 CD GLN A 26 -5.328 8.205 9.509 1.00 0.31 C ATOM 210 OE1 GLN A 26 -5.501 7.580 10.555 1.00 0.59 O ATOM 211 NE2 GLN A 26 -6.212 9.068 9.041 1.00 0.21 N ATOM 0 H GLN A 26 -2.245 6.336 8.951 1.00 0.23 H new ATOM 0 HA GLN A 26 -4.871 5.277 8.874 1.00 0.25 H new ATOM 0 HB2 GLN A 26 -3.492 7.082 6.855 1.00 0.26 H new ATOM 0 HB3 GLN A 26 -5.209 6.992 7.193 1.00 0.26 H new ATOM 0 HG2 GLN A 26 -3.242 7.773 9.337 1.00 0.29 H new ATOM 0 HG3 GLN A 26 -3.831 8.947 8.177 1.00 0.29 H new ATOM 0 HE21 GLN A 26 -6.028 9.565 8.169 1.00 0.21 H new ATOM 0 HE22 GLN A 26 -7.079 9.238 9.551 1.00 0.21 H new ATOM 220 N LEU A 27 -2.861 4.625 6.349 1.00 0.24 N ATOM 221 CA LEU A 27 -2.606 3.761 5.204 1.00 0.25 C ATOM 222 C LEU A 27 -2.691 2.283 5.600 1.00 0.23 C ATOM 223 O LEU A 27 -3.279 1.474 4.881 1.00 0.25 O ATOM 224 CB LEU A 27 -1.229 4.099 4.611 1.00 0.28 C ATOM 225 CG LEU A 27 -1.146 4.178 3.084 1.00 0.15 C ATOM 226 CD1 LEU A 27 -2.500 3.965 2.424 1.00 0.17 C ATOM 227 CD2 LEU A 27 -0.576 5.522 2.686 1.00 0.23 C ATOM 0 H LEU A 27 -2.113 5.292 6.539 1.00 0.24 H new ATOM 0 HA LEU A 27 -3.371 3.935 4.447 1.00 0.25 H new ATOM 0 HB2 LEU A 27 -0.906 5.056 5.021 1.00 0.28 H new ATOM 0 HB3 LEU A 27 -0.516 3.349 4.954 1.00 0.28 H new ATOM 0 HG LEU A 27 -0.493 3.377 2.738 1.00 0.15 H new ATOM 0 HD11 LEU A 27 -2.391 4.030 1.341 1.00 0.17 H new ATOM 0 HD12 LEU A 27 -2.884 2.981 2.692 1.00 0.17 H new ATOM 0 HD13 LEU A 27 -3.196 4.731 2.765 1.00 0.17 H new ATOM 0 HD21 LEU A 27 -0.515 5.584 1.599 1.00 0.23 H new ATOM 0 HD22 LEU A 27 -1.223 6.316 3.059 1.00 0.23 H new ATOM 0 HD23 LEU A 27 0.421 5.635 3.113 1.00 0.23 H new ATOM 239 N CYS A 28 -2.121 1.940 6.751 1.00 0.21 N ATOM 240 CA CYS A 28 -2.190 0.574 7.268 1.00 0.22 C ATOM 241 C CYS A 28 -3.624 0.214 7.642 1.00 0.21 C ATOM 242 O CYS A 28 -4.093 -0.894 7.368 1.00 0.22 O ATOM 243 CB CYS A 28 -1.286 0.415 8.493 1.00 0.26 C ATOM 244 SG CYS A 28 -1.132 -1.299 9.096 1.00 0.32 S ATOM 0 H CYS A 28 -1.605 2.589 7.345 1.00 0.21 H new ATOM 0 HA CYS A 28 -1.847 -0.100 6.483 1.00 0.22 H new ATOM 0 HB2 CYS A 28 -0.293 0.792 8.248 1.00 0.26 H new ATOM 0 HB3 CYS A 28 -1.674 1.038 9.299 1.00 0.26 H new ATOM 249 N ALA A 29 -4.318 1.171 8.251 1.00 0.21 N ATOM 250 CA ALA A 29 -5.676 0.958 8.733 1.00 0.22 C ATOM 251 C ALA A 29 -6.621 0.576 7.606 1.00 0.17 C ATOM 252 O ALA A 29 -7.565 -0.189 7.817 1.00 0.18 O ATOM 253 CB ALA A 29 -6.187 2.203 9.440 1.00 0.24 C ATOM 0 H ALA A 29 -3.957 2.109 8.423 1.00 0.21 H new ATOM 0 HA ALA A 29 -5.646 0.128 9.439 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -7.203 2.029 9.795 1.00 0.24 H new ATOM 0 HB2 ALA A 29 -5.541 2.431 10.288 1.00 0.24 H new ATOM 0 HB3 ALA A 29 -6.184 3.043 8.745 1.00 0.24 H new ATOM 259 N PHE A 30 -6.363 1.098 6.407 1.00 0.13 N ATOM 260 CA PHE A 30 -7.219 0.812 5.267 1.00 0.10 C ATOM 261 C PHE A 30 -7.281 -0.693 5.012 1.00 0.09 C ATOM 262 O PHE A 30 -8.350 -1.287 5.115 1.00 0.09 O ATOM 263 CB PHE A 30 -6.710 1.583 4.023 1.00 0.10 C ATOM 264 CG PHE A 30 -7.158 1.048 2.672 1.00 0.07 C ATOM 265 CD1 PHE A 30 -8.340 0.338 2.526 1.00 1.16 C ATOM 266 CD2 PHE A 30 -6.372 1.248 1.546 1.00 1.18 C ATOM 267 CE1 PHE A 30 -8.724 -0.162 1.297 1.00 1.15 C ATOM 268 CE2 PHE A 30 -6.759 0.750 0.318 1.00 1.18 C ATOM 269 CZ PHE A 30 -7.932 0.044 0.197 1.00 0.06 C ATOM 0 H PHE A 30 -5.576 1.714 6.206 1.00 0.13 H new ATOM 0 HA PHE A 30 -8.233 1.149 5.482 1.00 0.10 H new ATOM 0 HB2 PHE A 30 -7.035 2.620 4.106 1.00 0.10 H new ATOM 0 HB3 PHE A 30 -5.620 1.588 4.045 1.00 0.10 H new ATOM 0 HD1 PHE A 30 -8.971 0.173 3.387 1.00 1.16 H new ATOM 0 HD2 PHE A 30 -5.447 1.799 1.631 1.00 1.18 H new ATOM 0 HE1 PHE A 30 -9.647 -0.715 1.203 1.00 1.15 H new ATOM 0 HE2 PHE A 30 -6.138 0.916 -0.550 1.00 1.18 H new ATOM 0 HZ PHE A 30 -8.230 -0.348 -0.764 1.00 0.06 H new ATOM 279 N PHE A 31 -6.138 -1.329 4.785 1.00 0.10 N ATOM 280 CA PHE A 31 -6.139 -2.743 4.428 1.00 0.10 C ATOM 281 C PHE A 31 -6.395 -3.607 5.652 1.00 0.11 C ATOM 282 O PHE A 31 -6.764 -4.767 5.529 1.00 0.12 O ATOM 283 CB PHE A 31 -4.837 -3.180 3.764 1.00 0.11 C ATOM 284 CG PHE A 31 -4.376 -2.294 2.637 1.00 0.11 C ATOM 285 CD1 PHE A 31 -3.593 -1.177 2.884 1.00 0.94 C ATOM 286 CD2 PHE A 31 -4.715 -2.593 1.328 1.00 0.98 C ATOM 287 CE1 PHE A 31 -3.162 -0.374 1.845 1.00 0.94 C ATOM 288 CE2 PHE A 31 -4.284 -1.796 0.285 1.00 0.98 C ATOM 289 CZ PHE A 31 -3.507 -0.684 0.544 1.00 0.12 C ATOM 0 H PHE A 31 -5.215 -0.899 4.840 1.00 0.10 H new ATOM 0 HA PHE A 31 -6.944 -2.878 3.706 1.00 0.10 H new ATOM 0 HB2 PHE A 31 -4.054 -3.218 4.521 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -4.962 -4.194 3.383 1.00 0.11 H new ATOM 0 HD1 PHE A 31 -3.317 -0.932 3.899 1.00 0.94 H new ATOM 0 HD2 PHE A 31 -5.324 -3.460 1.120 1.00 0.98 H new ATOM 0 HE1 PHE A 31 -2.556 0.496 2.050 1.00 0.94 H new ATOM 0 HE2 PHE A 31 -4.554 -2.042 -0.731 1.00 0.98 H new ATOM 0 HZ PHE A 31 -3.170 -0.058 -0.269 1.00 0.12 H new ATOM 299 N HIS A 32 -6.175 -3.043 6.829 1.00 0.11 N ATOM 300 CA HIS A 32 -6.385 -3.773 8.080 1.00 0.12 C ATOM 301 C HIS A 32 -7.841 -4.216 8.179 1.00 0.12 C ATOM 302 O HIS A 32 -8.139 -5.339 8.586 1.00 0.15 O ATOM 303 CB HIS A 32 -5.997 -2.899 9.281 1.00 0.15 C ATOM 304 CG HIS A 32 -6.151 -3.574 10.617 1.00 0.23 C ATOM 305 ND1 HIS A 32 -5.134 -4.269 11.234 1.00 1.09 N ATOM 306 CD2 HIS A 32 -7.211 -3.644 11.459 1.00 1.05 C ATOM 307 CE1 HIS A 32 -5.562 -4.737 12.391 1.00 0.81 C ATOM 308 NE2 HIS A 32 -6.818 -4.372 12.553 1.00 0.65 N ATOM 0 H HIS A 32 -5.851 -2.083 6.950 1.00 0.11 H new ATOM 0 HA HIS A 32 -5.749 -4.658 8.089 1.00 0.12 H new ATOM 0 HB2 HIS A 32 -4.960 -2.583 9.165 1.00 0.15 H new ATOM 0 HB3 HIS A 32 -6.609 -1.997 9.271 1.00 0.15 H new ATOM 0 HD2 HIS A 32 -8.185 -3.207 11.298 1.00 1.05 H new ATOM 0 HE1 HIS A 32 -4.980 -5.321 13.089 1.00 0.81 H new ATOM 0 HE2 HIS A 32 -7.402 -4.594 13.359 1.00 0.65 H new ATOM 317 N SER A 33 -8.735 -3.326 7.781 1.00 0.11 N ATOM 318 CA SER A 33 -10.160 -3.613 7.759 1.00 0.13 C ATOM 319 C SER A 33 -10.473 -4.517 6.578 1.00 0.12 C ATOM 320 O SER A 33 -11.243 -5.473 6.675 1.00 0.14 O ATOM 321 CB SER A 33 -10.945 -2.305 7.641 1.00 0.15 C ATOM 322 OG SER A 33 -10.581 -1.401 8.671 1.00 0.22 O ATOM 0 H SER A 33 -8.494 -2.387 7.465 1.00 0.11 H new ATOM 0 HA SER A 33 -10.447 -4.116 8.682 1.00 0.13 H new ATOM 0 HB2 SER A 33 -10.756 -1.850 6.669 1.00 0.15 H new ATOM 0 HB3 SER A 33 -12.014 -2.512 7.694 1.00 0.15 H new ATOM 0 HG SER A 33 -9.716 -0.992 8.457 1.00 0.22 H new ATOM 328 N VAL A 34 -9.836 -4.185 5.469 1.00 0.10 N ATOM 329 CA VAL A 34 -10.020 -4.873 4.202 1.00 0.11 C ATOM 330 C VAL A 34 -9.643 -6.337 4.276 1.00 0.13 C ATOM 331 O VAL A 34 -10.403 -7.203 3.887 1.00 0.15 O ATOM 332 CB VAL A 34 -9.157 -4.243 3.104 1.00 0.10 C ATOM 333 CG1 VAL A 34 -9.387 -4.934 1.801 1.00 0.13 C ATOM 334 CG2 VAL A 34 -9.431 -2.778 2.958 1.00 0.08 C ATOM 0 H VAL A 34 -9.166 -3.418 5.422 1.00 0.10 H new ATOM 0 HA VAL A 34 -11.081 -4.780 3.971 1.00 0.11 H new ATOM 0 HB VAL A 34 -8.114 -4.364 3.398 1.00 0.10 H new ATOM 0 HG11 VAL A 34 -8.767 -4.475 1.031 1.00 0.13 H new ATOM 0 HG12 VAL A 34 -9.126 -5.988 1.897 1.00 0.13 H new ATOM 0 HG13 VAL A 34 -10.437 -4.845 1.522 1.00 0.13 H new ATOM 0 HG21 VAL A 34 -8.800 -2.367 2.170 1.00 0.08 H new ATOM 0 HG22 VAL A 34 -10.479 -2.628 2.699 1.00 0.08 H new ATOM 0 HG23 VAL A 34 -9.213 -2.272 3.898 1.00 0.08 H new ATOM 344 N HIS A 35 -8.451 -6.600 4.750 1.00 0.14 N ATOM 345 CA HIS A 35 -7.912 -7.952 4.725 1.00 0.17 C ATOM 346 C HIS A 35 -8.718 -8.882 5.622 1.00 0.18 C ATOM 347 O HIS A 35 -8.796 -10.084 5.373 1.00 0.21 O ATOM 348 CB HIS A 35 -6.434 -7.928 5.101 1.00 0.20 C ATOM 349 CG HIS A 35 -5.743 -9.257 5.004 1.00 0.36 C ATOM 350 ND1 HIS A 35 -5.030 -9.651 3.895 1.00 1.40 N ATOM 351 CD2 HIS A 35 -5.640 -10.272 5.894 1.00 0.85 C ATOM 352 CE1 HIS A 35 -4.520 -10.847 4.105 1.00 1.25 C ATOM 353 NE2 HIS A 35 -4.872 -11.248 5.311 1.00 0.55 N ATOM 0 H HIS A 35 -7.830 -5.902 5.159 1.00 0.14 H new ATOM 0 HA HIS A 35 -7.994 -8.348 3.713 1.00 0.17 H new ATOM 0 HB2 HIS A 35 -5.919 -7.218 4.454 1.00 0.20 H new ATOM 0 HB3 HIS A 35 -6.338 -7.557 6.121 1.00 0.20 H new ATOM 0 HD2 HIS A 35 -6.080 -10.307 6.879 1.00 0.85 H new ATOM 0 HE1 HIS A 35 -3.915 -11.406 3.406 1.00 1.25 H new ATOM 0 HE2 HIS A 35 -4.616 -12.137 5.740 1.00 0.55 H new ATOM 362 N ASP A 36 -9.310 -8.320 6.660 1.00 0.17 N ATOM 363 CA ASP A 36 -10.192 -9.077 7.540 1.00 0.18 C ATOM 364 C ASP A 36 -11.438 -9.539 6.783 1.00 0.19 C ATOM 365 O ASP A 36 -12.042 -10.560 7.114 1.00 0.21 O ATOM 366 CB ASP A 36 -10.589 -8.230 8.751 1.00 0.20 C ATOM 367 CG ASP A 36 -11.532 -8.956 9.690 1.00 0.65 C ATOM 368 OD1 ASP A 36 -11.047 -9.703 10.566 1.00 1.51 O ATOM 369 OD2 ASP A 36 -12.761 -8.766 9.570 1.00 1.26 O ATOM 0 H ASP A 36 -9.198 -7.339 6.918 1.00 0.17 H new ATOM 0 HA ASP A 36 -9.655 -9.958 7.891 1.00 0.18 H new ATOM 0 HB2 ASP A 36 -9.691 -7.941 9.297 1.00 0.20 H new ATOM 0 HB3 ASP A 36 -11.063 -7.311 8.406 1.00 0.20 H new ATOM 374 N ASP A 37 -11.781 -8.800 5.739 1.00 0.19 N ATOM 375 CA ASP A 37 -13.016 -9.014 4.988 1.00 0.24 C ATOM 376 C ASP A 37 -12.955 -8.232 3.686 1.00 0.23 C ATOM 377 O ASP A 37 -13.328 -7.060 3.630 1.00 0.25 O ATOM 378 CB ASP A 37 -14.248 -8.591 5.796 1.00 0.31 C ATOM 379 CG ASP A 37 -15.511 -8.555 4.950 1.00 0.53 C ATOM 380 OD1 ASP A 37 -15.833 -9.576 4.301 1.00 1.18 O ATOM 381 OD2 ASP A 37 -16.174 -7.495 4.908 1.00 1.28 O ATOM 0 H ASP A 37 -11.211 -8.032 5.385 1.00 0.19 H new ATOM 0 HA ASP A 37 -13.109 -10.080 4.778 1.00 0.24 H new ATOM 0 HB2 ASP A 37 -14.390 -9.283 6.626 1.00 0.31 H new ATOM 0 HB3 ASP A 37 -14.075 -7.605 6.228 1.00 0.31 H new ATOM 386 N PRO A 38 -12.449 -8.862 2.622 1.00 0.23 N ATOM 387 CA PRO A 38 -12.206 -8.197 1.332 1.00 0.25 C ATOM 388 C PRO A 38 -13.487 -7.726 0.645 1.00 0.29 C ATOM 389 O PRO A 38 -13.445 -7.205 -0.467 1.00 0.34 O ATOM 390 CB PRO A 38 -11.500 -9.280 0.505 1.00 0.28 C ATOM 391 CG PRO A 38 -10.985 -10.242 1.522 1.00 0.28 C ATOM 392 CD PRO A 38 -12.035 -10.269 2.585 1.00 0.26 C ATOM 0 HA PRO A 38 -11.622 -7.284 1.452 1.00 0.25 H new ATOM 0 HB2 PRO A 38 -12.189 -9.764 -0.188 1.00 0.28 H new ATOM 0 HB3 PRO A 38 -10.690 -8.860 -0.092 1.00 0.28 H new ATOM 0 HG2 PRO A 38 -10.833 -11.231 1.090 1.00 0.28 H new ATOM 0 HG3 PRO A 38 -10.024 -9.918 1.923 1.00 0.28 H new ATOM 0 HD2 PRO A 38 -12.861 -10.933 2.329 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -11.640 -10.606 3.543 1.00 0.26 H new ATOM 400 N SER A 39 -14.618 -7.914 1.306 1.00 0.28 N ATOM 401 CA SER A 39 -15.892 -7.432 0.801 1.00 0.33 C ATOM 402 C SER A 39 -15.975 -5.910 0.922 1.00 0.36 C ATOM 403 O SER A 39 -16.381 -5.220 -0.014 1.00 0.59 O ATOM 404 CB SER A 39 -17.031 -8.084 1.582 1.00 0.34 C ATOM 405 OG SER A 39 -16.787 -9.470 1.757 1.00 1.19 O ATOM 0 H SER A 39 -14.678 -8.401 2.200 1.00 0.28 H new ATOM 0 HA SER A 39 -15.978 -7.698 -0.253 1.00 0.33 H new ATOM 0 HB2 SER A 39 -17.135 -7.602 2.554 1.00 0.34 H new ATOM 0 HB3 SER A 39 -17.972 -7.939 1.052 1.00 0.34 H new ATOM 0 HG SER A 39 -16.388 -9.623 2.639 1.00 1.19 H new ATOM 411 N GLN A 40 -15.536 -5.389 2.065 1.00 0.22 N ATOM 412 CA GLN A 40 -15.657 -3.968 2.367 1.00 0.21 C ATOM 413 C GLN A 40 -14.527 -3.162 1.739 1.00 0.16 C ATOM 414 O GLN A 40 -14.511 -1.943 1.815 1.00 0.16 O ATOM 415 CB GLN A 40 -15.677 -3.760 3.870 1.00 0.23 C ATOM 416 CG GLN A 40 -14.666 -4.617 4.589 1.00 0.21 C ATOM 417 CD GLN A 40 -14.753 -4.475 6.072 1.00 0.67 C ATOM 418 OE1 GLN A 40 -14.226 -3.547 6.686 1.00 1.09 O ATOM 419 NE2 GLN A 40 -15.365 -5.456 6.635 1.00 0.97 N ATOM 0 H GLN A 40 -15.090 -5.936 2.802 1.00 0.22 H new ATOM 0 HA GLN A 40 -16.594 -3.612 1.939 1.00 0.21 H new ATOM 0 HB2 GLN A 40 -15.480 -2.711 4.090 1.00 0.23 H new ATOM 0 HB3 GLN A 40 -16.674 -3.984 4.251 1.00 0.23 H new ATOM 0 HG2 GLN A 40 -14.820 -5.661 4.317 1.00 0.21 H new ATOM 0 HG3 GLN A 40 -13.663 -4.346 4.259 1.00 0.21 H new ATOM 0 HE21 GLN A 40 -15.780 -6.193 6.065 1.00 0.97 H new ATOM 0 HE22 GLN A 40 -15.436 -5.497 7.652 1.00 0.97 H new ATOM 428 N SER A 41 -13.597 -3.875 1.136 1.00 0.15 N ATOM 429 CA SER A 41 -12.456 -3.317 0.436 1.00 0.13 C ATOM 430 C SER A 41 -12.819 -2.090 -0.398 1.00 0.11 C ATOM 431 O SER A 41 -12.198 -1.049 -0.253 1.00 0.11 O ATOM 432 CB SER A 41 -11.873 -4.403 -0.456 1.00 0.18 C ATOM 433 OG SER A 41 -12.828 -4.854 -1.399 1.00 0.82 O ATOM 0 H SER A 41 -13.615 -4.895 1.119 1.00 0.15 H new ATOM 0 HA SER A 41 -11.727 -2.982 1.174 1.00 0.13 H new ATOM 0 HB2 SER A 41 -10.996 -4.018 -0.977 1.00 0.18 H new ATOM 0 HB3 SER A 41 -11.538 -5.240 0.156 1.00 0.18 H new ATOM 0 HG SER A 41 -13.254 -5.672 -1.067 1.00 0.82 H new ATOM 439 N ALA A 42 -13.825 -2.217 -1.262 1.00 0.13 N ATOM 440 CA ALA A 42 -14.260 -1.108 -2.111 1.00 0.13 C ATOM 441 C ALA A 42 -14.687 0.094 -1.275 1.00 0.12 C ATOM 442 O ALA A 42 -14.387 1.241 -1.607 1.00 0.12 O ATOM 443 CB ALA A 42 -15.401 -1.555 -3.010 1.00 0.18 C ATOM 0 H ALA A 42 -14.355 -3.078 -1.393 1.00 0.13 H new ATOM 0 HA ALA A 42 -13.415 -0.804 -2.729 1.00 0.13 H new ATOM 0 HB1 ALA A 42 -15.717 -0.722 -3.638 1.00 0.18 H new ATOM 0 HB2 ALA A 42 -15.066 -2.378 -3.641 1.00 0.18 H new ATOM 0 HB3 ALA A 42 -16.239 -1.886 -2.397 1.00 0.18 H new ATOM 449 N ASN A 43 -15.373 -0.189 -0.179 1.00 0.12 N ATOM 450 CA ASN A 43 -15.831 0.840 0.753 1.00 0.13 C ATOM 451 C ASN A 43 -14.644 1.470 1.435 1.00 0.10 C ATOM 452 O ASN A 43 -14.574 2.678 1.641 1.00 0.11 O ATOM 453 CB ASN A 43 -16.709 0.229 1.845 1.00 0.16 C ATOM 454 CG ASN A 43 -17.933 -0.466 1.310 1.00 0.18 C ATOM 455 OD1 ASN A 43 -18.973 0.151 1.089 1.00 0.20 O ATOM 456 ND2 ASN A 43 -17.820 -1.764 1.121 1.00 0.20 N ATOM 0 H ASN A 43 -15.630 -1.138 0.093 1.00 0.12 H new ATOM 0 HA ASN A 43 -16.397 1.577 0.184 1.00 0.13 H new ATOM 0 HB2 ASN A 43 -16.118 -0.484 2.420 1.00 0.16 H new ATOM 0 HB3 ASN A 43 -17.019 1.015 2.534 1.00 0.16 H new ATOM 0 HD21 ASN A 43 -18.616 -2.301 0.777 1.00 0.20 H new ATOM 0 HD22 ASN A 43 -16.936 -2.233 1.318 1.00 0.20 H new ATOM 463 N LEU A 44 -13.717 0.607 1.783 1.00 0.09 N ATOM 464 CA LEU A 44 -12.570 0.964 2.575 1.00 0.08 C ATOM 465 C LEU A 44 -11.631 1.818 1.756 1.00 0.07 C ATOM 466 O LEU A 44 -11.134 2.854 2.190 1.00 0.08 O ATOM 467 CB LEU A 44 -11.876 -0.313 3.039 1.00 0.08 C ATOM 468 CG LEU A 44 -12.250 -0.803 4.433 1.00 0.10 C ATOM 469 CD1 LEU A 44 -13.514 -0.133 4.952 1.00 0.12 C ATOM 470 CD2 LEU A 44 -12.432 -2.299 4.391 1.00 0.12 C ATOM 0 H LEU A 44 -13.742 -0.378 1.518 1.00 0.09 H new ATOM 0 HA LEU A 44 -12.879 1.539 3.448 1.00 0.08 H new ATOM 0 HB2 LEU A 44 -12.099 -1.105 2.324 1.00 0.08 H new ATOM 0 HB3 LEU A 44 -10.799 -0.150 3.009 1.00 0.08 H new ATOM 0 HG LEU A 44 -11.445 -0.540 5.119 1.00 0.10 H new ATOM 0 HD11 LEU A 44 -13.744 -0.512 5.948 1.00 0.12 H new ATOM 0 HD12 LEU A 44 -13.361 0.945 5.000 1.00 0.12 H new ATOM 0 HD13 LEU A 44 -14.344 -0.352 4.280 1.00 0.12 H new ATOM 0 HD21 LEU A 44 -12.700 -2.661 5.384 1.00 0.12 H new ATOM 0 HD22 LEU A 44 -13.226 -2.549 3.687 1.00 0.12 H new ATOM 0 HD23 LEU A 44 -11.502 -2.770 4.072 1.00 0.12 H new ATOM 482 N LEU A 45 -11.419 1.333 0.556 1.00 0.07 N ATOM 483 CA LEU A 45 -10.657 2.000 -0.475 1.00 0.07 C ATOM 484 C LEU A 45 -11.257 3.386 -0.708 1.00 0.07 C ATOM 485 O LEU A 45 -10.548 4.379 -0.793 1.00 0.08 O ATOM 486 CB LEU A 45 -10.785 1.105 -1.701 1.00 0.07 C ATOM 487 CG LEU A 45 -9.913 1.376 -2.929 1.00 0.08 C ATOM 488 CD1 LEU A 45 -10.778 1.266 -4.155 1.00 0.08 C ATOM 489 CD2 LEU A 45 -9.182 2.710 -2.880 1.00 0.08 C ATOM 0 H LEU A 45 -11.786 0.429 0.259 1.00 0.07 H new ATOM 0 HA LEU A 45 -9.608 2.149 -0.220 1.00 0.07 H new ATOM 0 HB2 LEU A 45 -10.588 0.082 -1.380 1.00 0.07 H new ATOM 0 HB3 LEU A 45 -11.825 1.142 -2.025 1.00 0.07 H new ATOM 0 HG LEU A 45 -9.120 0.629 -2.953 1.00 0.08 H new ATOM 0 HD11 LEU A 45 -10.176 1.456 -5.043 1.00 0.08 H new ATOM 0 HD12 LEU A 45 -11.203 0.264 -4.212 1.00 0.08 H new ATOM 0 HD13 LEU A 45 -11.583 1.999 -4.099 1.00 0.08 H new ATOM 0 HD21 LEU A 45 -8.585 2.831 -3.784 1.00 0.08 H new ATOM 0 HD22 LEU A 45 -9.908 3.520 -2.813 1.00 0.08 H new ATOM 0 HD23 LEU A 45 -8.529 2.735 -2.008 1.00 0.08 H new ATOM 501 N ALA A 46 -12.577 3.429 -0.793 1.00 0.08 N ATOM 502 CA ALA A 46 -13.315 4.675 -0.899 1.00 0.09 C ATOM 503 C ALA A 46 -12.958 5.643 0.218 1.00 0.09 C ATOM 504 O ALA A 46 -12.663 6.793 -0.043 1.00 0.11 O ATOM 505 CB ALA A 46 -14.788 4.371 -0.857 1.00 0.10 C ATOM 0 H ALA A 46 -13.168 2.597 -0.790 1.00 0.08 H new ATOM 0 HA ALA A 46 -13.049 5.153 -1.842 1.00 0.09 H new ATOM 0 HB1 ALA A 46 -15.354 5.299 -0.936 1.00 0.10 H new ATOM 0 HB2 ALA A 46 -15.048 3.716 -1.688 1.00 0.10 H new ATOM 0 HB3 ALA A 46 -15.031 3.877 0.084 1.00 0.10 H new ATOM 511 N GLU A 47 -12.977 5.164 1.456 1.00 0.09 N ATOM 512 CA GLU A 47 -12.667 5.973 2.612 1.00 0.10 C ATOM 513 C GLU A 47 -11.204 6.345 2.604 1.00 0.09 C ATOM 514 O GLU A 47 -10.821 7.355 3.162 1.00 0.09 O ATOM 515 CB GLU A 47 -13.024 5.234 3.898 1.00 0.11 C ATOM 516 CG GLU A 47 -14.450 4.718 3.911 1.00 0.16 C ATOM 517 CD GLU A 47 -15.016 4.629 5.308 1.00 0.31 C ATOM 518 OE1 GLU A 47 -15.512 5.657 5.812 1.00 1.19 O ATOM 519 OE2 GLU A 47 -14.962 3.536 5.912 1.00 1.13 O ATOM 0 H GLU A 47 -13.210 4.197 1.680 1.00 0.09 H new ATOM 0 HA GLU A 47 -13.262 6.885 2.569 1.00 0.10 H new ATOM 0 HB2 GLU A 47 -12.339 4.396 4.031 1.00 0.11 H new ATOM 0 HB3 GLU A 47 -12.878 5.902 4.747 1.00 0.11 H new ATOM 0 HG2 GLU A 47 -15.077 5.375 3.309 1.00 0.16 H new ATOM 0 HG3 GLU A 47 -14.482 3.733 3.445 1.00 0.16 H new ATOM 526 N ALA A 48 -10.397 5.509 1.977 1.00 0.08 N ATOM 527 CA ALA A 48 -8.998 5.819 1.749 1.00 0.08 C ATOM 528 C ALA A 48 -8.884 6.973 0.756 1.00 0.08 C ATOM 529 O ALA A 48 -8.122 7.915 0.962 1.00 0.08 O ATOM 530 CB ALA A 48 -8.275 4.589 1.228 1.00 0.08 C ATOM 0 H ALA A 48 -10.690 4.602 1.614 1.00 0.08 H new ATOM 0 HA ALA A 48 -8.534 6.119 2.688 1.00 0.08 H new ATOM 0 HB1 ALA A 48 -7.225 4.828 1.059 1.00 0.08 H new ATOM 0 HB2 ALA A 48 -8.350 3.785 1.960 1.00 0.08 H new ATOM 0 HB3 ALA A 48 -8.730 4.269 0.290 1.00 0.08 H new ATOM 536 N LYS A 49 -9.693 6.901 -0.295 1.00 0.08 N ATOM 537 CA LYS A 49 -9.730 7.924 -1.337 1.00 0.09 C ATOM 538 C LYS A 49 -10.267 9.203 -0.737 1.00 0.10 C ATOM 539 O LYS A 49 -9.733 10.297 -0.916 1.00 0.13 O ATOM 540 CB LYS A 49 -10.675 7.480 -2.456 1.00 0.09 C ATOM 541 CG LYS A 49 -10.228 6.263 -3.234 1.00 0.09 C ATOM 542 CD LYS A 49 -11.442 5.456 -3.658 1.00 0.09 C ATOM 543 CE LYS A 49 -11.219 4.730 -4.959 1.00 0.10 C ATOM 544 NZ LYS A 49 -12.491 4.206 -5.520 1.00 0.71 N ATOM 0 H LYS A 49 -10.343 6.131 -0.450 1.00 0.08 H new ATOM 0 HA LYS A 49 -8.728 8.077 -1.738 1.00 0.09 H new ATOM 0 HB2 LYS A 49 -11.654 7.274 -2.022 1.00 0.09 H new ATOM 0 HB3 LYS A 49 -10.802 8.309 -3.152 1.00 0.09 H new ATOM 0 HG2 LYS A 49 -9.658 6.569 -4.111 1.00 0.09 H new ATOM 0 HG3 LYS A 49 -9.567 5.650 -2.622 1.00 0.09 H new ATOM 0 HD2 LYS A 49 -11.686 4.734 -2.879 1.00 0.09 H new ATOM 0 HD3 LYS A 49 -12.301 6.120 -3.757 1.00 0.09 H new ATOM 0 HE2 LYS A 49 -10.755 5.405 -5.678 1.00 0.10 H new ATOM 0 HE3 LYS A 49 -10.524 3.906 -4.801 1.00 0.10 H new ATOM 0 HZ1 LYS A 49 -12.298 3.713 -6.415 1.00 0.71 H new ATOM 0 HZ2 LYS A 49 -12.921 3.543 -4.844 1.00 0.71 H new ATOM 0 HZ3 LYS A 49 -13.145 4.996 -5.694 1.00 0.71 H new ATOM 558 N LYS A 50 -11.340 9.000 -0.018 1.00 0.11 N ATOM 559 CA LYS A 50 -12.055 10.013 0.707 1.00 0.12 C ATOM 560 C LYS A 50 -11.176 10.649 1.770 1.00 0.12 C ATOM 561 O LYS A 50 -11.208 11.851 1.965 1.00 0.15 O ATOM 562 CB LYS A 50 -13.282 9.330 1.294 1.00 0.14 C ATOM 563 CG LYS A 50 -13.741 9.879 2.621 1.00 0.17 C ATOM 564 CD LYS A 50 -14.843 9.011 3.219 1.00 0.27 C ATOM 565 CE LYS A 50 -14.962 9.198 4.721 1.00 1.06 C ATOM 566 NZ LYS A 50 -16.027 8.339 5.305 1.00 1.19 N ATOM 0 H LYS A 50 -11.759 8.075 0.081 1.00 0.11 H new ATOM 0 HA LYS A 50 -12.357 10.835 0.058 1.00 0.12 H new ATOM 0 HB2 LYS A 50 -14.102 9.412 0.580 1.00 0.14 H new ATOM 0 HB3 LYS A 50 -13.067 8.268 1.412 1.00 0.14 H new ATOM 0 HG2 LYS A 50 -12.898 9.928 3.310 1.00 0.17 H new ATOM 0 HG3 LYS A 50 -14.106 10.898 2.491 1.00 0.17 H new ATOM 0 HD2 LYS A 50 -15.794 9.256 2.747 1.00 0.27 H new ATOM 0 HD3 LYS A 50 -14.639 7.963 2.999 1.00 0.27 H new ATOM 0 HE2 LYS A 50 -14.008 8.964 5.193 1.00 1.06 H new ATOM 0 HE3 LYS A 50 -15.178 10.244 4.941 1.00 1.06 H new ATOM 0 HZ1 LYS A 50 -16.205 8.627 6.289 1.00 1.19 H new ATOM 0 HZ2 LYS A 50 -16.901 8.444 4.751 1.00 1.19 H new ATOM 0 HZ3 LYS A 50 -15.721 7.345 5.285 1.00 1.19 H new ATOM 580 N LEU A 51 -10.388 9.830 2.439 1.00 0.11 N ATOM 581 CA LEU A 51 -9.415 10.301 3.416 1.00 0.12 C ATOM 582 C LEU A 51 -8.344 11.123 2.752 1.00 0.12 C ATOM 583 O LEU A 51 -8.025 12.229 3.176 1.00 0.13 O ATOM 584 CB LEU A 51 -8.759 9.120 4.084 1.00 0.11 C ATOM 585 CG LEU A 51 -7.978 9.433 5.342 1.00 0.12 C ATOM 586 CD1 LEU A 51 -8.833 10.225 6.308 1.00 0.15 C ATOM 587 CD2 LEU A 51 -7.492 8.136 5.953 1.00 0.12 C ATOM 0 H LEU A 51 -10.401 8.817 2.323 1.00 0.11 H new ATOM 0 HA LEU A 51 -9.940 10.915 4.148 1.00 0.12 H new ATOM 0 HB2 LEU A 51 -9.530 8.389 4.328 1.00 0.11 H new ATOM 0 HB3 LEU A 51 -8.087 8.647 3.368 1.00 0.11 H new ATOM 0 HG LEU A 51 -7.112 10.049 5.102 1.00 0.12 H new ATOM 0 HD11 LEU A 51 -8.258 10.443 7.208 1.00 0.15 H new ATOM 0 HD12 LEU A 51 -9.141 11.159 5.839 1.00 0.15 H new ATOM 0 HD13 LEU A 51 -9.716 9.644 6.573 1.00 0.15 H new ATOM 0 HD21 LEU A 51 -6.928 8.350 6.861 1.00 0.12 H new ATOM 0 HD22 LEU A 51 -8.347 7.506 6.198 1.00 0.12 H new ATOM 0 HD23 LEU A 51 -6.851 7.616 5.241 1.00 0.12 H new ATOM 599 N ASN A 52 -7.786 10.538 1.715 1.00 0.11 N ATOM 600 CA ASN A 52 -6.787 11.191 0.881 1.00 0.11 C ATOM 601 C ASN A 52 -7.275 12.564 0.474 1.00 0.13 C ATOM 602 O ASN A 52 -6.516 13.516 0.423 1.00 0.15 O ATOM 603 CB ASN A 52 -6.526 10.327 -0.353 1.00 0.12 C ATOM 604 CG ASN A 52 -5.979 11.086 -1.540 1.00 0.16 C ATOM 605 OD1 ASN A 52 -6.728 11.576 -2.382 1.00 0.20 O ATOM 606 ND2 ASN A 52 -4.673 11.183 -1.620 1.00 0.19 N ATOM 0 H ASN A 52 -8.011 9.588 1.420 1.00 0.11 H new ATOM 0 HA ASN A 52 -5.858 11.309 1.439 1.00 0.11 H new ATOM 0 HB2 ASN A 52 -5.824 9.537 -0.087 1.00 0.12 H new ATOM 0 HB3 ASN A 52 -7.457 9.841 -0.645 1.00 0.12 H new ATOM 0 HD21 ASN A 52 -4.245 11.679 -2.402 1.00 0.19 H new ATOM 0 HD22 ASN A 52 -4.085 10.762 -0.900 1.00 0.19 H new ATOM 613 N ASP A 53 -8.559 12.627 0.213 1.00 0.14 N ATOM 614 CA ASP A 53 -9.235 13.846 -0.196 1.00 0.17 C ATOM 615 C ASP A 53 -9.522 14.732 1.004 1.00 0.19 C ATOM 616 O ASP A 53 -9.416 15.956 0.937 1.00 0.22 O ATOM 617 CB ASP A 53 -10.540 13.500 -0.920 1.00 0.17 C ATOM 618 CG ASP A 53 -11.322 14.730 -1.322 1.00 0.71 C ATOM 619 OD1 ASP A 53 -10.929 15.396 -2.303 1.00 1.34 O ATOM 620 OD2 ASP A 53 -12.340 15.037 -0.665 1.00 1.53 O ATOM 0 H ASP A 53 -9.179 11.820 0.279 1.00 0.14 H new ATOM 0 HA ASP A 53 -8.582 14.393 -0.876 1.00 0.17 H new ATOM 0 HB2 ASP A 53 -10.314 12.911 -1.809 1.00 0.17 H new ATOM 0 HB3 ASP A 53 -11.157 12.877 -0.273 1.00 0.17 H new ATOM 625 N ALA A 54 -9.870 14.085 2.106 1.00 0.18 N ATOM 626 CA ALA A 54 -10.330 14.758 3.302 1.00 0.21 C ATOM 627 C ALA A 54 -9.234 15.590 3.900 1.00 0.24 C ATOM 628 O ALA A 54 -9.443 16.733 4.301 1.00 0.28 O ATOM 629 CB ALA A 54 -10.778 13.728 4.322 1.00 0.20 C ATOM 0 H ALA A 54 -9.839 13.069 2.192 1.00 0.18 H new ATOM 0 HA ALA A 54 -11.162 15.409 3.032 1.00 0.21 H new ATOM 0 HB1 ALA A 54 -11.124 14.235 5.223 1.00 0.20 H new ATOM 0 HB2 ALA A 54 -11.590 13.133 3.905 1.00 0.20 H new ATOM 0 HB3 ALA A 54 -9.941 13.076 4.572 1.00 0.20 H new ATOM 635 N GLN A 55 -8.055 15.012 3.945 1.00 0.22 N ATOM 636 CA GLN A 55 -6.952 15.677 4.612 1.00 0.25 C ATOM 637 C GLN A 55 -5.951 16.262 3.628 1.00 0.25 C ATOM 638 O GLN A 55 -5.271 17.227 3.969 1.00 0.28 O ATOM 639 CB GLN A 55 -6.245 14.692 5.529 1.00 0.25 C ATOM 640 CG GLN A 55 -5.882 13.401 4.827 1.00 0.20 C ATOM 641 CD GLN A 55 -4.805 12.636 5.557 1.00 0.19 C ATOM 642 OE1 GLN A 55 -3.621 12.875 5.353 1.00 0.22 O ATOM 643 NE2 GLN A 55 -5.206 11.689 6.382 1.00 0.17 N ATOM 0 H GLN A 55 -7.834 14.103 3.538 1.00 0.22 H new ATOM 0 HA GLN A 55 -7.367 16.503 5.189 1.00 0.25 H new ATOM 0 HB2 GLN A 55 -5.340 15.154 5.923 1.00 0.25 H new ATOM 0 HB3 GLN A 55 -6.887 14.470 6.381 1.00 0.25 H new ATOM 0 HG2 GLN A 55 -6.771 12.776 4.737 1.00 0.20 H new ATOM 0 HG3 GLN A 55 -5.544 13.623 3.815 1.00 0.20 H new ATOM 0 HE21 GLN A 55 -6.203 11.523 6.523 1.00 0.17 H new ATOM 0 HE22 GLN A 55 -4.520 11.122 6.880 1.00 0.17 H new ATOM 652 N ALA A 56 -5.912 15.681 2.415 1.00 0.24 N ATOM 653 CA ALA A 56 -4.984 16.048 1.326 1.00 0.25 C ATOM 654 C ALA A 56 -4.070 17.238 1.631 1.00 0.31 C ATOM 655 O ALA A 56 -4.338 18.373 1.224 1.00 0.35 O ATOM 656 CB ALA A 56 -5.761 16.285 0.044 1.00 0.26 C ATOM 0 H ALA A 56 -6.542 14.922 2.157 1.00 0.24 H new ATOM 0 HA ALA A 56 -4.310 15.199 1.212 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -5.071 16.555 -0.755 1.00 0.26 H new ATOM 0 HB2 ALA A 56 -6.296 15.376 -0.231 1.00 0.26 H new ATOM 0 HB3 ALA A 56 -6.475 17.094 0.196 1.00 0.26 H new ATOM 714 N GLY B 14 7.836 6.404 -11.356 1.00 0.21 N ATOM 715 CA GLY B 14 6.562 5.725 -11.511 1.00 0.21 C ATOM 716 C GLY B 14 6.690 4.269 -11.924 1.00 0.19 C ATOM 717 O GLY B 14 5.999 3.823 -12.838 1.00 0.28 O ATOM 0 HA2 GLY B 14 6.015 5.779 -10.570 1.00 0.21 H new ATOM 0 HA3 GLY B 14 5.967 6.253 -12.256 1.00 0.21 H new ATOM 721 N GLU B 15 7.568 3.521 -11.263 1.00 0.15 N ATOM 722 CA GLU B 15 7.694 2.097 -11.547 1.00 0.15 C ATOM 723 C GLU B 15 6.851 1.319 -10.551 1.00 0.14 C ATOM 724 O GLU B 15 7.252 1.135 -9.404 1.00 0.22 O ATOM 725 CB GLU B 15 9.153 1.646 -11.462 1.00 0.18 C ATOM 726 CG GLU B 15 10.147 2.739 -11.812 1.00 0.86 C ATOM 727 CD GLU B 15 11.564 2.228 -11.924 1.00 1.08 C ATOM 728 OE1 GLU B 15 11.945 1.770 -13.018 1.00 1.76 O ATOM 729 OE2 GLU B 15 12.312 2.302 -10.924 1.00 1.45 O ATOM 0 H GLU B 15 8.194 3.871 -10.538 1.00 0.15 H new ATOM 0 HA GLU B 15 7.344 1.907 -12.562 1.00 0.15 H new ATOM 0 HB2 GLU B 15 9.357 1.291 -10.452 1.00 0.18 H new ATOM 0 HB3 GLU B 15 9.303 0.801 -12.134 1.00 0.18 H new ATOM 0 HG2 GLU B 15 9.856 3.200 -12.756 1.00 0.86 H new ATOM 0 HG3 GLU B 15 10.106 3.518 -11.051 1.00 0.86 H new ATOM 736 N ILE B 16 5.687 0.871 -10.980 1.00 0.12 N ATOM 737 CA ILE B 16 4.738 0.247 -10.070 1.00 0.11 C ATOM 738 C ILE B 16 5.241 -1.099 -9.558 1.00 0.12 C ATOM 739 O ILE B 16 5.880 -1.863 -10.282 1.00 0.16 O ATOM 740 CB ILE B 16 3.356 0.062 -10.732 1.00 0.11 C ATOM 741 CG1 ILE B 16 2.551 1.368 -10.671 1.00 0.11 C ATOM 742 CG2 ILE B 16 2.598 -1.063 -10.044 1.00 0.12 C ATOM 743 CD1 ILE B 16 1.823 1.571 -9.362 1.00 0.11 C ATOM 0 H ILE B 16 5.374 0.926 -11.949 1.00 0.12 H new ATOM 0 HA ILE B 16 4.636 0.924 -9.222 1.00 0.11 H new ATOM 0 HB ILE B 16 3.501 -0.201 -11.780 1.00 0.11 H new ATOM 0 HG12 ILE B 16 3.225 2.208 -10.836 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.826 1.376 -11.485 1.00 0.11 H new ATOM 0 HG21 ILE B 16 1.624 -1.188 -10.517 1.00 0.12 H new ATOM 0 HG22 ILE B 16 3.165 -1.990 -10.131 1.00 0.12 H new ATOM 0 HG23 ILE B 16 2.462 -0.819 -8.991 1.00 0.12 H new ATOM 0 HD11 ILE B 16 1.276 2.514 -9.392 1.00 0.11 H new ATOM 0 HD12 ILE B 16 1.123 0.751 -9.204 1.00 0.11 H new ATOM 0 HD13 ILE B 16 2.544 1.596 -8.545 1.00 0.11 H new ATOM 755 N PHE B 17 4.942 -1.361 -8.295 1.00 0.11 N ATOM 756 CA PHE B 17 5.277 -2.617 -7.665 1.00 0.11 C ATOM 757 C PHE B 17 4.124 -3.086 -6.793 1.00 0.11 C ATOM 758 O PHE B 17 3.548 -2.304 -6.036 1.00 0.11 O ATOM 759 CB PHE B 17 6.568 -2.471 -6.865 1.00 0.12 C ATOM 760 CG PHE B 17 6.634 -1.242 -5.997 1.00 0.11 C ATOM 761 CD1 PHE B 17 6.166 -1.252 -4.687 1.00 1.09 C ATOM 762 CD2 PHE B 17 7.196 -0.078 -6.495 1.00 1.11 C ATOM 763 CE1 PHE B 17 6.265 -0.120 -3.894 1.00 1.10 C ATOM 764 CE2 PHE B 17 7.293 1.053 -5.716 1.00 1.11 C ATOM 765 CZ PHE B 17 6.834 1.038 -4.414 1.00 0.10 C ATOM 0 H PHE B 17 4.459 -0.704 -7.682 1.00 0.11 H new ATOM 0 HA PHE B 17 5.444 -3.376 -8.430 1.00 0.11 H new ATOM 0 HB2 PHE B 17 6.690 -3.352 -6.235 1.00 0.12 H new ATOM 0 HB3 PHE B 17 7.409 -2.456 -7.558 1.00 0.12 H new ATOM 0 HD1 PHE B 17 5.721 -2.150 -4.284 1.00 1.09 H new ATOM 0 HD2 PHE B 17 7.564 -0.057 -7.510 1.00 1.11 H new ATOM 0 HE1 PHE B 17 5.902 -0.137 -2.877 1.00 1.10 H new ATOM 0 HE2 PHE B 17 7.729 1.953 -6.124 1.00 1.11 H new ATOM 0 HZ PHE B 17 6.916 1.923 -3.801 1.00 0.10 H new ATOM 775 N TYR B 18 3.773 -4.353 -6.918 1.00 0.11 N ATOM 776 CA TYR B 18 2.626 -4.892 -6.217 1.00 0.10 C ATOM 777 C TYR B 18 3.054 -5.722 -5.025 1.00 0.09 C ATOM 778 O TYR B 18 4.039 -6.461 -5.082 1.00 0.09 O ATOM 779 CB TYR B 18 1.770 -5.733 -7.161 1.00 0.12 C ATOM 780 CG TYR B 18 1.057 -4.922 -8.216 1.00 0.09 C ATOM 781 CD1 TYR B 18 -0.082 -4.198 -7.900 1.00 1.17 C ATOM 782 CD2 TYR B 18 1.516 -4.888 -9.522 1.00 1.17 C ATOM 783 CE1 TYR B 18 -0.750 -3.459 -8.854 1.00 1.20 C ATOM 784 CE2 TYR B 18 0.854 -4.154 -10.489 1.00 1.15 C ATOM 785 CZ TYR B 18 -0.277 -3.440 -10.151 1.00 0.12 C ATOM 786 OH TYR B 18 -0.941 -2.714 -11.115 1.00 0.18 O ATOM 0 H TYR B 18 4.268 -5.028 -7.500 1.00 0.11 H new ATOM 0 HA TYR B 18 2.033 -4.053 -5.853 1.00 0.10 H new ATOM 0 HB2 TYR B 18 2.404 -6.473 -7.650 1.00 0.12 H new ATOM 0 HB3 TYR B 18 1.032 -6.282 -6.576 1.00 0.12 H new ATOM 0 HD1 TYR B 18 -0.454 -4.213 -6.886 1.00 1.17 H new ATOM 0 HD2 TYR B 18 2.403 -5.443 -9.789 1.00 1.17 H new ATOM 0 HE1 TYR B 18 -1.635 -2.900 -8.589 1.00 1.20 H new ATOM 0 HE2 TYR B 18 1.221 -4.140 -11.505 1.00 1.15 H new ATOM 0 HH TYR B 18 -0.476 -2.807 -11.973 1.00 0.18 H new ATOM 796 N LEU B 19 2.313 -5.583 -3.938 1.00 0.13 N ATOM 797 CA LEU B 19 2.587 -6.316 -2.712 1.00 0.13 C ATOM 798 C LEU B 19 1.344 -7.115 -2.293 1.00 0.21 C ATOM 799 O LEU B 19 0.817 -6.917 -1.201 1.00 0.25 O ATOM 800 CB LEU B 19 2.986 -5.344 -1.577 1.00 0.12 C ATOM 801 CG LEU B 19 4.255 -4.481 -1.800 1.00 0.10 C ATOM 802 CD1 LEU B 19 5.464 -5.373 -2.007 1.00 0.08 C ATOM 803 CD2 LEU B 19 4.096 -3.506 -2.954 1.00 0.11 C ATOM 0 H LEU B 19 1.507 -4.961 -3.880 1.00 0.13 H new ATOM 0 HA LEU B 19 3.415 -7.001 -2.895 1.00 0.13 H new ATOM 0 HB2 LEU B 19 2.147 -4.672 -1.397 1.00 0.12 H new ATOM 0 HB3 LEU B 19 3.129 -5.927 -0.667 1.00 0.12 H new ATOM 0 HG LEU B 19 4.405 -3.881 -0.902 1.00 0.10 H new ATOM 0 HD11 LEU B 19 6.349 -4.756 -2.163 1.00 0.08 H new ATOM 0 HD12 LEU B 19 5.609 -6.000 -1.127 1.00 0.08 H new ATOM 0 HD13 LEU B 19 5.304 -6.005 -2.880 1.00 0.08 H new ATOM 0 HD21 LEU B 19 5.011 -2.926 -3.069 1.00 0.11 H new ATOM 0 HD22 LEU B 19 3.899 -4.059 -3.873 1.00 0.11 H new ATOM 0 HD23 LEU B 19 3.263 -2.833 -2.750 1.00 0.11 H new ATOM 815 N PRO B 20 0.867 -8.046 -3.148 1.00 0.23 N ATOM 816 CA PRO B 20 -0.389 -8.780 -2.907 1.00 0.29 C ATOM 817 C PRO B 20 -0.271 -9.820 -1.813 1.00 0.29 C ATOM 818 O PRO B 20 -1.203 -10.043 -1.044 1.00 0.33 O ATOM 819 CB PRO B 20 -0.645 -9.464 -4.251 1.00 0.33 C ATOM 820 CG PRO B 20 0.720 -9.685 -4.799 1.00 0.29 C ATOM 821 CD PRO B 20 1.494 -8.458 -4.422 1.00 0.23 C ATOM 0 HA PRO B 20 -1.186 -8.115 -2.573 1.00 0.29 H new ATOM 0 HB2 PRO B 20 -1.183 -10.403 -4.126 1.00 0.33 H new ATOM 0 HB3 PRO B 20 -1.245 -8.838 -4.911 1.00 0.33 H new ATOM 0 HG2 PRO B 20 1.174 -10.582 -4.378 1.00 0.29 H new ATOM 0 HG3 PRO B 20 0.694 -9.818 -5.881 1.00 0.29 H new ATOM 0 HD2 PRO B 20 2.555 -8.673 -4.298 1.00 0.23 H new ATOM 0 HD3 PRO B 20 1.413 -7.681 -5.182 1.00 0.23 H new ATOM 829 N ASN B 21 0.884 -10.444 -1.743 1.00 0.27 N ATOM 830 CA ASN B 21 1.100 -11.529 -0.816 1.00 0.28 C ATOM 831 C ASN B 21 1.423 -10.986 0.569 1.00 0.24 C ATOM 832 O ASN B 21 1.388 -11.710 1.566 1.00 0.28 O ATOM 833 CB ASN B 21 2.187 -12.453 -1.373 1.00 0.31 C ATOM 834 CG ASN B 21 3.274 -12.814 -0.390 1.00 0.32 C ATOM 835 OD1 ASN B 21 3.130 -13.731 0.414 1.00 0.41 O ATOM 836 ND2 ASN B 21 4.381 -12.103 -0.471 1.00 0.30 N ATOM 0 H ASN B 21 1.692 -10.215 -2.322 1.00 0.27 H new ATOM 0 HA ASN B 21 0.193 -12.122 -0.703 1.00 0.28 H new ATOM 0 HB2 ASN B 21 1.718 -13.371 -1.728 1.00 0.31 H new ATOM 0 HB3 ASN B 21 2.644 -11.973 -2.239 1.00 0.31 H new ATOM 0 HD21 ASN B 21 5.164 -12.306 0.151 1.00 0.30 H new ATOM 0 HD22 ASN B 21 4.455 -11.350 -1.155 1.00 0.30 H new ATOM 843 N LEU B 22 1.722 -9.697 0.632 1.00 0.19 N ATOM 844 CA LEU B 22 1.867 -9.030 1.899 1.00 0.16 C ATOM 845 C LEU B 22 0.534 -8.603 2.448 1.00 0.20 C ATOM 846 O LEU B 22 -0.364 -8.176 1.722 1.00 0.26 O ATOM 847 CB LEU B 22 2.800 -7.842 1.773 1.00 0.14 C ATOM 848 CG LEU B 22 4.220 -8.245 1.424 1.00 0.13 C ATOM 849 CD1 LEU B 22 5.189 -7.114 1.657 1.00 0.12 C ATOM 850 CD2 LEU B 22 4.603 -9.456 2.240 1.00 0.14 C ATOM 0 H LEU B 22 1.867 -9.101 -0.183 1.00 0.19 H new ATOM 0 HA LEU B 22 2.304 -9.740 2.602 1.00 0.16 H new ATOM 0 HB2 LEU B 22 2.420 -7.167 1.006 1.00 0.14 H new ATOM 0 HB3 LEU B 22 2.805 -7.288 2.712 1.00 0.14 H new ATOM 0 HG LEU B 22 4.266 -8.490 0.363 1.00 0.13 H new ATOM 0 HD11 LEU B 22 6.196 -7.439 1.396 1.00 0.12 H new ATOM 0 HD12 LEU B 22 4.910 -6.262 1.036 1.00 0.12 H new ATOM 0 HD13 LEU B 22 5.162 -6.822 2.707 1.00 0.12 H new ATOM 0 HD21 LEU B 22 5.623 -9.752 1.995 1.00 0.14 H new ATOM 0 HD22 LEU B 22 4.540 -9.214 3.301 1.00 0.14 H new ATOM 0 HD23 LEU B 22 3.923 -10.277 2.014 1.00 0.14 H new ATOM 862 N ASN B 23 0.424 -8.735 3.746 1.00 0.21 N ATOM 863 CA ASN B 23 -0.786 -8.384 4.454 1.00 0.26 C ATOM 864 C ASN B 23 -0.588 -7.004 5.041 1.00 0.20 C ATOM 865 O ASN B 23 0.556 -6.554 5.122 1.00 0.15 O ATOM 866 CB ASN B 23 -1.061 -9.419 5.553 1.00 0.35 C ATOM 867 CG ASN B 23 -0.673 -10.817 5.113 1.00 0.56 C ATOM 868 OD1 ASN B 23 -1.458 -11.533 4.500 1.00 1.19 O ATOM 869 ND2 ASN B 23 0.547 -11.216 5.446 1.00 0.55 N ATOM 0 H ASN B 23 1.170 -9.089 4.344 1.00 0.21 H new ATOM 0 HA ASN B 23 -1.646 -8.378 3.784 1.00 0.26 H new ATOM 0 HB2 ASN B 23 -0.505 -9.152 6.452 1.00 0.35 H new ATOM 0 HB3 ASN B 23 -2.119 -9.400 5.815 1.00 0.35 H new ATOM 0 HD21 ASN B 23 0.865 -12.151 5.192 1.00 0.55 H new ATOM 0 HD22 ASN B 23 1.168 -10.588 5.956 1.00 0.55 H new ATOM 876 N PRO B 24 -1.662 -6.298 5.426 1.00 0.25 N ATOM 877 CA PRO B 24 -1.558 -4.979 6.045 1.00 0.22 C ATOM 878 C PRO B 24 -0.433 -4.926 7.070 1.00 0.18 C ATOM 879 O PRO B 24 0.378 -4.007 7.064 1.00 0.19 O ATOM 880 CB PRO B 24 -2.919 -4.780 6.730 1.00 0.27 C ATOM 881 CG PRO B 24 -3.709 -6.023 6.456 1.00 0.33 C ATOM 882 CD PRO B 24 -3.060 -6.699 5.282 1.00 0.37 C ATOM 0 HA PRO B 24 -1.329 -4.203 5.315 1.00 0.22 H new ATOM 0 HB2 PRO B 24 -2.797 -4.625 7.802 1.00 0.27 H new ATOM 0 HB3 PRO B 24 -3.428 -3.900 6.337 1.00 0.27 H new ATOM 0 HG2 PRO B 24 -3.712 -6.679 7.327 1.00 0.33 H new ATOM 0 HG3 PRO B 24 -4.749 -5.780 6.236 1.00 0.33 H new ATOM 0 HD2 PRO B 24 -3.178 -7.782 5.320 1.00 0.37 H new ATOM 0 HD3 PRO B 24 -3.484 -6.365 4.335 1.00 0.37 H new ATOM 890 N ASP B 25 -0.353 -5.969 7.888 1.00 0.20 N ATOM 891 CA ASP B 25 0.607 -6.042 8.975 1.00 0.24 C ATOM 892 C ASP B 25 2.038 -6.127 8.450 1.00 0.23 C ATOM 893 O ASP B 25 2.969 -5.622 9.072 1.00 0.28 O ATOM 894 CB ASP B 25 0.288 -7.257 9.840 1.00 0.34 C ATOM 895 CG ASP B 25 -1.136 -7.236 10.356 1.00 0.98 C ATOM 896 OD1 ASP B 25 -1.410 -6.516 11.338 1.00 1.49 O ATOM 897 OD2 ASP B 25 -1.996 -7.927 9.767 1.00 1.76 O ATOM 0 H ASP B 25 -0.955 -6.789 7.813 1.00 0.20 H new ATOM 0 HA ASP B 25 0.531 -5.132 9.571 1.00 0.24 H new ATOM 0 HB2 ASP B 25 0.449 -8.166 9.260 1.00 0.34 H new ATOM 0 HB3 ASP B 25 0.978 -7.291 10.684 1.00 0.34 H new ATOM 902 N GLN B 26 2.206 -6.769 7.297 1.00 0.19 N ATOM 903 CA GLN B 26 3.508 -6.891 6.662 1.00 0.20 C ATOM 904 C GLN B 26 3.934 -5.539 6.109 1.00 0.20 C ATOM 905 O GLN B 26 5.034 -5.050 6.356 1.00 0.24 O ATOM 906 CB GLN B 26 3.402 -7.907 5.527 1.00 0.25 C ATOM 907 CG GLN B 26 2.708 -9.193 5.933 1.00 0.31 C ATOM 908 CD GLN B 26 3.404 -9.940 7.051 1.00 0.29 C ATOM 909 OE1 GLN B 26 2.759 -10.593 7.865 1.00 0.48 O ATOM 910 NE2 GLN B 26 4.717 -9.872 7.076 1.00 0.28 N ATOM 0 H GLN B 26 1.447 -7.215 6.782 1.00 0.19 H new ATOM 0 HA GLN B 26 4.250 -7.224 7.388 1.00 0.20 H new ATOM 0 HB2 GLN B 26 2.859 -7.457 4.696 1.00 0.25 H new ATOM 0 HB3 GLN B 26 4.403 -8.142 5.165 1.00 0.25 H new ATOM 0 HG2 GLN B 26 1.689 -8.962 6.243 1.00 0.31 H new ATOM 0 HG3 GLN B 26 2.636 -9.846 5.063 1.00 0.31 H new ATOM 0 HE21 GLN B 26 5.212 -9.316 6.379 1.00 0.28 H new ATOM 0 HE22 GLN B 26 5.240 -10.375 7.793 1.00 0.28 H new ATOM 919 N LEU B 27 3.015 -4.955 5.370 1.00 0.16 N ATOM 920 CA LEU B 27 3.179 -3.638 4.767 1.00 0.17 C ATOM 921 C LEU B 27 3.352 -2.546 5.825 1.00 0.19 C ATOM 922 O LEU B 27 3.925 -1.494 5.542 1.00 0.21 O ATOM 923 CB LEU B 27 1.950 -3.333 3.910 1.00 0.16 C ATOM 924 CG LEU B 27 1.595 -4.413 2.886 1.00 0.14 C ATOM 925 CD1 LEU B 27 0.108 -4.381 2.578 1.00 0.15 C ATOM 926 CD2 LEU B 27 2.393 -4.226 1.607 1.00 0.13 C ATOM 0 H LEU B 27 2.114 -5.386 5.164 1.00 0.16 H new ATOM 0 HA LEU B 27 4.081 -3.649 4.155 1.00 0.17 H new ATOM 0 HB2 LEU B 27 1.094 -3.182 4.568 1.00 0.16 H new ATOM 0 HB3 LEU B 27 2.117 -2.394 3.383 1.00 0.16 H new ATOM 0 HG LEU B 27 1.848 -5.383 3.314 1.00 0.14 H new ATOM 0 HD11 LEU B 27 -0.129 -5.155 1.848 1.00 0.15 H new ATOM 0 HD12 LEU B 27 -0.457 -4.560 3.493 1.00 0.15 H new ATOM 0 HD13 LEU B 27 -0.159 -3.405 2.172 1.00 0.15 H new ATOM 0 HD21 LEU B 27 2.124 -5.005 0.893 1.00 0.13 H new ATOM 0 HD22 LEU B 27 2.170 -3.249 1.179 1.00 0.13 H new ATOM 0 HD23 LEU B 27 3.458 -4.290 1.830 1.00 0.13 H new ATOM 938 N CYS B 28 2.850 -2.802 7.037 1.00 0.20 N ATOM 939 CA CYS B 28 2.901 -1.827 8.128 1.00 0.23 C ATOM 940 C CYS B 28 4.306 -1.271 8.334 1.00 0.23 C ATOM 941 O CYS B 28 4.487 -0.065 8.484 1.00 0.28 O ATOM 942 CB CYS B 28 2.386 -2.433 9.440 1.00 0.25 C ATOM 943 SG CYS B 28 0.572 -2.573 9.553 1.00 0.27 S ATOM 0 H CYS B 28 2.401 -3.683 7.287 1.00 0.20 H new ATOM 0 HA CYS B 28 2.249 -1.003 7.838 1.00 0.23 H new ATOM 0 HB2 CYS B 28 2.822 -3.425 9.562 1.00 0.25 H new ATOM 0 HB3 CYS B 28 2.742 -1.824 10.271 1.00 0.25 H new ATOM 948 N ALA B 29 5.298 -2.143 8.320 1.00 0.22 N ATOM 949 CA ALA B 29 6.674 -1.723 8.530 1.00 0.24 C ATOM 950 C ALA B 29 7.174 -0.872 7.374 1.00 0.21 C ATOM 951 O ALA B 29 7.868 0.122 7.576 1.00 0.25 O ATOM 952 CB ALA B 29 7.565 -2.930 8.685 1.00 0.26 C ATOM 0 H ALA B 29 5.178 -3.144 8.166 1.00 0.22 H new ATOM 0 HA ALA B 29 6.704 -1.123 9.439 1.00 0.24 H new ATOM 0 HB1 ALA B 29 8.594 -2.605 8.842 1.00 0.26 H new ATOM 0 HB2 ALA B 29 7.235 -3.518 9.542 1.00 0.26 H new ATOM 0 HB3 ALA B 29 7.511 -3.540 7.784 1.00 0.26 H new ATOM 958 N PHE B 30 6.803 -1.270 6.166 1.00 0.18 N ATOM 959 CA PHE B 30 7.309 -0.645 4.957 1.00 0.17 C ATOM 960 C PHE B 30 7.039 0.858 4.921 1.00 0.21 C ATOM 961 O PHE B 30 7.978 1.640 4.883 1.00 0.22 O ATOM 962 CB PHE B 30 6.665 -1.322 3.747 1.00 0.18 C ATOM 963 CG PHE B 30 7.106 -0.768 2.428 1.00 0.16 C ATOM 964 CD1 PHE B 30 8.451 -0.620 2.145 1.00 1.07 C ATOM 965 CD2 PHE B 30 6.179 -0.401 1.466 1.00 1.13 C ATOM 966 CE1 PHE B 30 8.862 -0.119 0.932 1.00 1.07 C ATOM 967 CE2 PHE B 30 6.590 0.100 0.246 1.00 1.13 C ATOM 968 CZ PHE B 30 7.939 0.239 -0.017 1.00 0.13 C ATOM 0 H PHE B 30 6.146 -2.032 5.999 1.00 0.18 H new ATOM 0 HA PHE B 30 8.391 -0.772 4.937 1.00 0.17 H new ATOM 0 HB2 PHE B 30 6.894 -2.387 3.776 1.00 0.18 H new ATOM 0 HB3 PHE B 30 5.582 -1.227 3.825 1.00 0.18 H new ATOM 0 HD1 PHE B 30 9.187 -0.901 2.884 1.00 1.07 H new ATOM 0 HD2 PHE B 30 5.124 -0.508 1.672 1.00 1.13 H new ATOM 0 HE1 PHE B 30 9.916 -0.007 0.726 1.00 1.07 H new ATOM 0 HE2 PHE B 30 5.860 0.382 -0.499 1.00 1.13 H new ATOM 0 HZ PHE B 30 8.267 0.629 -0.969 1.00 0.13 H new ATOM 978 N PHE B 31 5.779 1.274 5.017 1.00 0.26 N ATOM 979 CA PHE B 31 5.473 2.697 4.995 1.00 0.35 C ATOM 980 C PHE B 31 5.906 3.395 6.277 1.00 0.37 C ATOM 981 O PHE B 31 6.031 4.616 6.303 1.00 0.46 O ATOM 982 CB PHE B 31 3.997 2.991 4.687 1.00 0.65 C ATOM 983 CG PHE B 31 2.997 1.998 5.201 1.00 0.23 C ATOM 984 CD1 PHE B 31 2.809 1.811 6.555 1.00 1.13 C ATOM 985 CD2 PHE B 31 2.208 1.286 4.313 1.00 1.16 C ATOM 986 CE1 PHE B 31 1.856 0.932 7.018 1.00 1.45 C ATOM 987 CE2 PHE B 31 1.257 0.397 4.770 1.00 1.05 C ATOM 988 CZ PHE B 31 1.081 0.220 6.124 1.00 0.80 C ATOM 0 H PHE B 31 4.970 0.659 5.109 1.00 0.26 H new ATOM 0 HA PHE B 31 6.058 3.108 4.172 1.00 0.35 H new ATOM 0 HB2 PHE B 31 3.750 3.969 5.100 1.00 0.65 H new ATOM 0 HB3 PHE B 31 3.882 3.063 3.606 1.00 0.65 H new ATOM 0 HD1 PHE B 31 3.416 2.360 7.259 1.00 1.13 H new ATOM 0 HD2 PHE B 31 2.339 1.428 3.250 1.00 1.16 H new ATOM 0 HE1 PHE B 31 1.715 0.799 8.080 1.00 1.45 H new ATOM 0 HE2 PHE B 31 0.653 -0.158 4.068 1.00 1.05 H new ATOM 0 HZ PHE B 31 0.338 -0.475 6.486 1.00 0.80 H new ATOM 998 N HIS B 32 6.157 2.635 7.335 1.00 0.36 N ATOM 999 CA HIS B 32 6.677 3.234 8.558 1.00 0.43 C ATOM 1000 C HIS B 32 8.124 3.650 8.364 1.00 0.40 C ATOM 1001 O HIS B 32 8.511 4.754 8.729 1.00 0.47 O ATOM 1002 CB HIS B 32 6.559 2.283 9.758 1.00 0.47 C ATOM 1003 CG HIS B 32 5.253 2.390 10.489 1.00 0.71 C ATOM 1004 ND1 HIS B 32 4.489 1.298 10.838 1.00 1.37 N ATOM 1005 CD2 HIS B 32 4.585 3.473 10.952 1.00 1.43 C ATOM 1006 CE1 HIS B 32 3.411 1.702 11.479 1.00 1.77 C ATOM 1007 NE2 HIS B 32 3.444 3.017 11.563 1.00 1.70 N ATOM 0 H HIS B 32 6.013 1.626 7.373 1.00 0.36 H new ATOM 0 HA HIS B 32 6.072 4.115 8.774 1.00 0.43 H new ATOM 0 HB2 HIS B 32 6.688 1.258 9.411 1.00 0.47 H new ATOM 0 HB3 HIS B 32 7.372 2.489 10.454 1.00 0.47 H new ATOM 0 HD1 HIS B 32 4.722 0.327 10.632 1.00 1.37 H new ATOM 0 HD2 HIS B 32 4.893 4.504 10.858 1.00 1.43 H new ATOM 0 HE1 HIS B 32 2.632 1.064 11.869 1.00 1.77 H new ATOM 1016 N SER B 33 8.913 2.777 7.764 1.00 0.33 N ATOM 1017 CA SER B 33 10.303 3.093 7.457 1.00 0.33 C ATOM 1018 C SER B 33 10.382 4.104 6.318 1.00 0.28 C ATOM 1019 O SER B 33 11.263 4.949 6.278 1.00 0.30 O ATOM 1020 CB SER B 33 11.060 1.817 7.093 1.00 0.33 C ATOM 1021 OG SER B 33 10.933 0.845 8.118 1.00 0.77 O ATOM 0 H SER B 33 8.618 1.843 7.478 1.00 0.33 H new ATOM 0 HA SER B 33 10.765 3.536 8.339 1.00 0.33 H new ATOM 0 HB2 SER B 33 10.675 1.416 6.156 1.00 0.33 H new ATOM 0 HB3 SER B 33 12.113 2.047 6.933 1.00 0.33 H new ATOM 0 HG SER B 33 10.016 0.499 8.129 1.00 0.77 H new ATOM 1027 N VAL B 34 9.444 3.985 5.400 1.00 0.22 N ATOM 1028 CA VAL B 34 9.405 4.780 4.181 1.00 0.20 C ATOM 1029 C VAL B 34 8.967 6.216 4.451 1.00 0.26 C ATOM 1030 O VAL B 34 9.553 7.157 3.922 1.00 0.27 O ATOM 1031 CB VAL B 34 8.460 4.121 3.146 1.00 0.19 C ATOM 1032 CG1 VAL B 34 8.054 5.067 2.044 1.00 0.18 C ATOM 1033 CG2 VAL B 34 9.099 2.893 2.533 1.00 0.20 C ATOM 0 H VAL B 34 8.672 3.323 5.478 1.00 0.22 H new ATOM 0 HA VAL B 34 10.417 4.815 3.779 1.00 0.20 H new ATOM 0 HB VAL B 34 7.563 3.837 3.696 1.00 0.19 H new ATOM 0 HG11 VAL B 34 7.392 4.552 1.348 1.00 0.18 H new ATOM 0 HG12 VAL B 34 7.534 5.923 2.473 1.00 0.18 H new ATOM 0 HG13 VAL B 34 8.942 5.410 1.514 1.00 0.18 H new ATOM 0 HG21 VAL B 34 8.415 2.449 1.810 1.00 0.20 H new ATOM 0 HG22 VAL B 34 10.024 3.176 2.031 1.00 0.20 H new ATOM 0 HG23 VAL B 34 9.319 2.168 3.316 1.00 0.20 H new ATOM 1043 N HIS B 35 7.939 6.393 5.275 1.00 0.32 N ATOM 1044 CA HIS B 35 7.457 7.734 5.573 1.00 0.41 C ATOM 1045 C HIS B 35 8.395 8.403 6.557 1.00 0.45 C ATOM 1046 O HIS B 35 8.634 9.610 6.492 1.00 0.51 O ATOM 1047 CB HIS B 35 6.043 7.691 6.145 1.00 0.48 C ATOM 1048 CG HIS B 35 5.427 9.043 6.343 1.00 0.66 C ATOM 1049 ND1 HIS B 35 5.198 9.592 7.588 1.00 1.60 N ATOM 1050 CD2 HIS B 35 4.982 9.955 5.444 1.00 0.88 C ATOM 1051 CE1 HIS B 35 4.639 10.780 7.446 1.00 1.50 C ATOM 1052 NE2 HIS B 35 4.498 11.024 6.157 1.00 0.80 N ATOM 0 H HIS B 35 7.433 5.639 5.740 1.00 0.32 H new ATOM 0 HA HIS B 35 7.430 8.308 4.647 1.00 0.41 H new ATOM 0 HB2 HIS B 35 5.409 7.108 5.477 1.00 0.48 H new ATOM 0 HB3 HIS B 35 6.064 7.169 7.101 1.00 0.48 H new ATOM 0 HD2 HIS B 35 5.004 9.859 4.369 1.00 0.88 H new ATOM 0 HE1 HIS B 35 4.347 11.440 8.249 1.00 1.50 H new ATOM 0 HE2 HIS B 35 4.095 11.870 5.755 1.00 0.80 H new ATOM 1061 N ASP B 36 8.919 7.604 7.471 1.00 0.44 N ATOM 1062 CA ASP B 36 9.877 8.095 8.442 1.00 0.50 C ATOM 1063 C ASP B 36 11.216 8.366 7.771 1.00 0.47 C ATOM 1064 O ASP B 36 11.890 9.346 8.094 1.00 0.52 O ATOM 1065 CB ASP B 36 10.041 7.103 9.592 1.00 0.55 C ATOM 1066 CG ASP B 36 10.957 7.613 10.683 1.00 0.79 C ATOM 1067 OD1 ASP B 36 10.745 8.745 11.169 1.00 1.59 O ATOM 1068 OD2 ASP B 36 11.890 6.879 11.069 1.00 1.29 O ATOM 0 H ASP B 36 8.696 6.613 7.560 1.00 0.44 H new ATOM 0 HA ASP B 36 9.500 9.031 8.855 1.00 0.50 H new ATOM 0 HB2 ASP B 36 9.062 6.884 10.019 1.00 0.55 H new ATOM 0 HB3 ASP B 36 10.436 6.165 9.202 1.00 0.55 H new ATOM 1073 N ASP B 37 11.599 7.510 6.824 1.00 0.39 N ATOM 1074 CA ASP B 37 12.824 7.744 6.058 1.00 0.40 C ATOM 1075 C ASP B 37 12.593 7.564 4.568 1.00 0.32 C ATOM 1076 O ASP B 37 12.695 6.463 4.030 1.00 0.29 O ATOM 1077 CB ASP B 37 13.968 6.835 6.520 1.00 0.48 C ATOM 1078 CG ASP B 37 14.727 7.384 7.709 1.00 1.00 C ATOM 1079 OD1 ASP B 37 15.450 8.388 7.549 1.00 1.58 O ATOM 1080 OD2 ASP B 37 14.621 6.805 8.808 1.00 1.55 O ATOM 0 H ASP B 37 11.090 6.663 6.571 1.00 0.39 H new ATOM 0 HA ASP B 37 13.112 8.779 6.244 1.00 0.40 H new ATOM 0 HB2 ASP B 37 13.564 5.856 6.777 1.00 0.48 H new ATOM 0 HB3 ASP B 37 14.662 6.686 5.692 1.00 0.48 H new ATOM 1085 N PRO B 38 12.304 8.669 3.880 1.00 0.34 N ATOM 1086 CA PRO B 38 12.013 8.679 2.446 1.00 0.31 C ATOM 1087 C PRO B 38 13.285 8.564 1.615 1.00 0.30 C ATOM 1088 O PRO B 38 13.241 8.280 0.417 1.00 0.36 O ATOM 1089 CB PRO B 38 11.342 10.047 2.237 1.00 0.42 C ATOM 1090 CG PRO B 38 11.134 10.595 3.615 1.00 0.49 C ATOM 1091 CD PRO B 38 12.218 10.014 4.441 1.00 0.46 C ATOM 0 HA PRO B 38 11.391 7.839 2.135 1.00 0.31 H new ATOM 0 HB2 PRO B 38 11.972 10.708 1.641 1.00 0.42 H new ATOM 0 HB3 PRO B 38 10.395 9.945 1.707 1.00 0.42 H new ATOM 0 HG2 PRO B 38 11.181 11.684 3.615 1.00 0.49 H new ATOM 0 HG3 PRO B 38 10.154 10.318 4.003 1.00 0.49 H new ATOM 0 HD2 PRO B 38 13.154 10.564 4.340 1.00 0.46 H new ATOM 0 HD3 PRO B 38 11.968 10.003 5.502 1.00 0.46 H new ATOM 1099 N SER B 39 14.418 8.767 2.275 1.00 0.29 N ATOM 1100 CA SER B 39 15.722 8.692 1.631 1.00 0.31 C ATOM 1101 C SER B 39 16.030 7.263 1.195 1.00 0.26 C ATOM 1102 O SER B 39 16.908 7.023 0.365 1.00 0.31 O ATOM 1103 CB SER B 39 16.801 9.204 2.590 1.00 0.39 C ATOM 1104 OG SER B 39 18.063 9.297 1.955 1.00 1.45 O ATOM 0 H SER B 39 14.458 8.988 3.270 1.00 0.29 H new ATOM 0 HA SER B 39 15.710 9.320 0.740 1.00 0.31 H new ATOM 0 HB2 SER B 39 16.513 10.183 2.973 1.00 0.39 H new ATOM 0 HB3 SER B 39 16.873 8.535 3.448 1.00 0.39 H new ATOM 0 HG SER B 39 18.727 9.628 2.595 1.00 1.45 H new ATOM 1110 N GLN B 40 15.284 6.315 1.734 1.00 0.21 N ATOM 1111 CA GLN B 40 15.556 4.912 1.486 1.00 0.19 C ATOM 1112 C GLN B 40 14.370 4.177 0.920 1.00 0.15 C ATOM 1113 O GLN B 40 14.351 2.960 0.956 1.00 0.14 O ATOM 1114 CB GLN B 40 15.959 4.217 2.765 1.00 0.22 C ATOM 1115 CG GLN B 40 15.502 4.938 4.014 1.00 0.25 C ATOM 1116 CD GLN B 40 16.506 4.854 5.125 1.00 0.32 C ATOM 1117 OE1 GLN B 40 16.446 3.977 5.988 1.00 0.37 O ATOM 1118 NE2 GLN B 40 17.457 5.755 5.073 1.00 0.35 N ATOM 0 H GLN B 40 14.487 6.492 2.345 1.00 0.21 H new ATOM 0 HA GLN B 40 16.364 4.890 0.754 1.00 0.19 H new ATOM 0 HB2 GLN B 40 15.547 3.208 2.766 1.00 0.22 H new ATOM 0 HB3 GLN B 40 17.044 4.118 2.789 1.00 0.22 H new ATOM 0 HG2 GLN B 40 15.314 5.985 3.777 1.00 0.25 H new ATOM 0 HG3 GLN B 40 14.556 4.512 4.350 1.00 0.25 H new ATOM 0 HE21 GLN B 40 17.454 6.458 4.334 1.00 0.35 H new ATOM 0 HE22 GLN B 40 18.200 5.753 5.772 1.00 0.35 H new ATOM 1127 N SER B 41 13.388 4.901 0.425 1.00 0.15 N ATOM 1128 CA SER B 41 12.186 4.282 -0.135 1.00 0.14 C ATOM 1129 C SER B 41 12.523 3.146 -1.117 1.00 0.11 C ATOM 1130 O SER B 41 11.745 2.212 -1.259 1.00 0.10 O ATOM 1131 CB SER B 41 11.294 5.336 -0.801 1.00 0.16 C ATOM 1132 OG SER B 41 12.008 6.072 -1.782 1.00 0.75 O ATOM 0 H SER B 41 13.391 5.921 0.395 1.00 0.15 H new ATOM 0 HA SER B 41 11.636 3.835 0.693 1.00 0.14 H new ATOM 0 HB2 SER B 41 10.435 4.849 -1.263 1.00 0.16 H new ATOM 0 HB3 SER B 41 10.905 6.017 -0.044 1.00 0.16 H new ATOM 0 HG SER B 41 11.538 6.912 -1.968 1.00 0.75 H new ATOM 1138 N ALA B 42 13.679 3.216 -1.781 1.00 0.09 N ATOM 1139 CA ALA B 42 14.117 2.130 -2.661 1.00 0.08 C ATOM 1140 C ALA B 42 14.686 0.951 -1.872 1.00 0.10 C ATOM 1141 O ALA B 42 14.395 -0.206 -2.170 1.00 0.10 O ATOM 1142 CB ALA B 42 15.137 2.622 -3.662 1.00 0.09 C ATOM 0 H ALA B 42 14.323 4.005 -1.727 1.00 0.09 H new ATOM 0 HA ALA B 42 13.234 1.781 -3.197 1.00 0.08 H new ATOM 0 HB1 ALA B 42 15.446 1.796 -4.303 1.00 0.09 H new ATOM 0 HB2 ALA B 42 14.697 3.410 -4.273 1.00 0.09 H new ATOM 0 HB3 ALA B 42 16.005 3.015 -3.133 1.00 0.09 H new ATOM 1148 N ASN B 43 15.503 1.240 -0.867 1.00 0.12 N ATOM 1149 CA ASN B 43 16.058 0.185 -0.021 1.00 0.14 C ATOM 1150 C ASN B 43 14.942 -0.438 0.794 1.00 0.14 C ATOM 1151 O ASN B 43 14.926 -1.635 1.064 1.00 0.15 O ATOM 1152 CB ASN B 43 17.146 0.737 0.903 1.00 0.18 C ATOM 1153 CG ASN B 43 18.352 1.232 0.145 1.00 0.27 C ATOM 1154 OD1 ASN B 43 19.271 0.472 -0.156 1.00 0.37 O ATOM 1155 ND2 ASN B 43 18.363 2.516 -0.163 1.00 0.33 N ATOM 0 H ASN B 43 15.795 2.185 -0.617 1.00 0.12 H new ATOM 0 HA ASN B 43 16.515 -0.573 -0.656 1.00 0.14 H new ATOM 0 HB2 ASN B 43 16.734 1.553 1.497 1.00 0.18 H new ATOM 0 HB3 ASN B 43 17.454 -0.041 1.601 1.00 0.18 H new ATOM 0 HD21 ASN B 43 19.155 2.912 -0.670 1.00 0.33 H new ATOM 0 HD22 ASN B 43 17.580 3.112 0.106 1.00 0.33 H new ATOM 1162 N LEU B 44 14.017 0.416 1.181 1.00 0.13 N ATOM 1163 CA LEU B 44 12.780 0.013 1.823 1.00 0.13 C ATOM 1164 C LEU B 44 11.925 -0.787 0.851 1.00 0.11 C ATOM 1165 O LEU B 44 11.313 -1.785 1.231 1.00 0.11 O ATOM 1166 CB LEU B 44 12.013 1.245 2.290 1.00 0.14 C ATOM 1167 CG LEU B 44 12.450 1.859 3.628 1.00 0.17 C ATOM 1168 CD1 LEU B 44 13.841 1.423 4.048 1.00 0.19 C ATOM 1169 CD2 LEU B 44 12.422 3.355 3.508 1.00 0.17 C ATOM 0 H LEU B 44 14.103 1.425 1.057 1.00 0.13 H new ATOM 0 HA LEU B 44 13.016 -0.610 2.685 1.00 0.13 H new ATOM 0 HB2 LEU B 44 12.097 2.011 1.520 1.00 0.14 H new ATOM 0 HB3 LEU B 44 10.958 0.982 2.364 1.00 0.14 H new ATOM 0 HG LEU B 44 11.755 1.509 4.391 1.00 0.17 H new ATOM 0 HD11 LEU B 44 14.096 1.888 5.000 1.00 0.19 H new ATOM 0 HD12 LEU B 44 13.865 0.339 4.156 1.00 0.19 H new ATOM 0 HD13 LEU B 44 14.562 1.729 3.290 1.00 0.19 H new ATOM 0 HD21 LEU B 44 12.731 3.802 4.453 1.00 0.17 H new ATOM 0 HD22 LEU B 44 13.104 3.669 2.718 1.00 0.17 H new ATOM 0 HD23 LEU B 44 11.411 3.682 3.266 1.00 0.17 H new ATOM 1181 N LEU B 45 11.899 -0.341 -0.414 1.00 0.10 N ATOM 1182 CA LEU B 45 11.181 -1.042 -1.478 1.00 0.09 C ATOM 1183 C LEU B 45 11.636 -2.476 -1.486 1.00 0.08 C ATOM 1184 O LEU B 45 10.832 -3.405 -1.455 1.00 0.08 O ATOM 1185 CB LEU B 45 11.484 -0.425 -2.858 1.00 0.09 C ATOM 1186 CG LEU B 45 10.278 -0.294 -3.793 1.00 0.11 C ATOM 1187 CD1 LEU B 45 10.672 -0.514 -5.251 1.00 0.13 C ATOM 1188 CD2 LEU B 45 9.186 -1.260 -3.383 1.00 0.10 C ATOM 0 H LEU B 45 12.372 0.509 -0.722 1.00 0.10 H new ATOM 0 HA LEU B 45 10.110 -0.962 -1.291 1.00 0.09 H new ATOM 0 HB2 LEU B 45 11.917 0.564 -2.709 1.00 0.09 H new ATOM 0 HB3 LEU B 45 12.242 -1.033 -3.352 1.00 0.09 H new ATOM 0 HG LEU B 45 9.897 0.724 -3.706 1.00 0.11 H new ATOM 0 HD11 LEU B 45 9.791 -0.413 -5.885 1.00 0.13 H new ATOM 0 HD12 LEU B 45 11.416 0.228 -5.543 1.00 0.13 H new ATOM 0 HD13 LEU B 45 11.091 -1.513 -5.368 1.00 0.13 H new ATOM 0 HD21 LEU B 45 8.336 -1.155 -4.057 1.00 0.10 H new ATOM 0 HD22 LEU B 45 9.565 -2.281 -3.434 1.00 0.10 H new ATOM 0 HD23 LEU B 45 8.870 -1.040 -2.363 1.00 0.10 H new ATOM 1200 N ALA B 46 12.939 -2.623 -1.476 1.00 0.09 N ATOM 1201 CA ALA B 46 13.584 -3.903 -1.439 1.00 0.11 C ATOM 1202 C ALA B 46 13.057 -4.744 -0.304 1.00 0.11 C ATOM 1203 O ALA B 46 12.842 -5.920 -0.481 1.00 0.13 O ATOM 1204 CB ALA B 46 15.067 -3.691 -1.272 1.00 0.13 C ATOM 0 H ALA B 46 13.589 -1.837 -1.494 1.00 0.09 H new ATOM 0 HA ALA B 46 13.379 -4.432 -2.370 1.00 0.11 H new ATOM 0 HB1 ALA B 46 15.572 -4.657 -1.242 1.00 0.13 H new ATOM 0 HB2 ALA B 46 15.448 -3.108 -2.111 1.00 0.13 H new ATOM 0 HB3 ALA B 46 15.255 -3.154 -0.342 1.00 0.13 H new ATOM 1210 N GLU B 47 12.820 -4.125 0.843 1.00 0.11 N ATOM 1211 CA GLU B 47 12.430 -4.847 2.045 1.00 0.12 C ATOM 1212 C GLU B 47 10.985 -5.323 1.975 1.00 0.10 C ATOM 1213 O GLU B 47 10.660 -6.399 2.457 1.00 0.11 O ATOM 1214 CB GLU B 47 12.623 -3.968 3.270 1.00 0.16 C ATOM 1215 CG GLU B 47 14.051 -3.512 3.432 1.00 0.20 C ATOM 1216 CD GLU B 47 14.916 -4.502 4.179 1.00 0.71 C ATOM 1217 OE1 GLU B 47 14.681 -4.714 5.388 1.00 1.20 O ATOM 1218 OE2 GLU B 47 15.851 -5.052 3.567 1.00 1.43 O ATOM 0 H GLU B 47 12.892 -3.115 0.967 1.00 0.11 H new ATOM 0 HA GLU B 47 13.069 -5.726 2.121 1.00 0.12 H new ATOM 0 HB2 GLU B 47 11.973 -3.097 3.194 1.00 0.16 H new ATOM 0 HB3 GLU B 47 12.317 -4.518 4.160 1.00 0.16 H new ATOM 0 HG2 GLU B 47 14.482 -3.335 2.447 1.00 0.20 H new ATOM 0 HG3 GLU B 47 14.063 -2.559 3.961 1.00 0.20 H new ATOM 1225 N ALA B 48 10.121 -4.514 1.385 1.00 0.07 N ATOM 1226 CA ALA B 48 8.714 -4.895 1.243 1.00 0.07 C ATOM 1227 C ALA B 48 8.604 -5.965 0.197 1.00 0.08 C ATOM 1228 O ALA B 48 7.851 -6.921 0.334 1.00 0.09 O ATOM 1229 CB ALA B 48 7.829 -3.718 0.880 1.00 0.09 C ATOM 0 H ALA B 48 10.358 -3.600 0.999 1.00 0.07 H new ATOM 0 HA ALA B 48 8.365 -5.266 2.207 1.00 0.07 H new ATOM 0 HB1 ALA B 48 6.796 -4.054 0.787 1.00 0.09 H new ATOM 0 HB2 ALA B 48 7.894 -2.959 1.660 1.00 0.09 H new ATOM 0 HB3 ALA B 48 8.159 -3.293 -0.068 1.00 0.09 H new ATOM 1235 N LYS B 49 9.384 -5.801 -0.844 1.00 0.09 N ATOM 1236 CA LYS B 49 9.431 -6.760 -1.913 1.00 0.12 C ATOM 1237 C LYS B 49 10.167 -8.007 -1.425 1.00 0.15 C ATOM 1238 O LYS B 49 9.898 -9.113 -1.863 1.00 0.19 O ATOM 1239 CB LYS B 49 10.103 -6.106 -3.112 1.00 0.11 C ATOM 1240 CG LYS B 49 9.388 -4.843 -3.561 1.00 0.11 C ATOM 1241 CD LYS B 49 10.004 -4.226 -4.805 1.00 0.12 C ATOM 1242 CE LYS B 49 11.483 -3.931 -4.642 1.00 0.11 C ATOM 1243 NZ LYS B 49 12.184 -3.869 -5.953 1.00 0.20 N ATOM 0 H LYS B 49 10.002 -4.999 -0.971 1.00 0.09 H new ATOM 0 HA LYS B 49 8.434 -7.075 -2.222 1.00 0.12 H new ATOM 0 HB2 LYS B 49 11.136 -5.865 -2.859 1.00 0.11 H new ATOM 0 HB3 LYS B 49 10.134 -6.816 -3.939 1.00 0.11 H new ATOM 0 HG2 LYS B 49 8.341 -5.074 -3.757 1.00 0.11 H new ATOM 0 HG3 LYS B 49 9.408 -4.113 -2.752 1.00 0.11 H new ATOM 0 HD2 LYS B 49 9.863 -4.902 -5.648 1.00 0.12 H new ATOM 0 HD3 LYS B 49 9.478 -3.302 -5.046 1.00 0.12 H new ATOM 0 HE2 LYS B 49 11.609 -2.984 -4.118 1.00 0.11 H new ATOM 0 HE3 LYS B 49 11.941 -4.702 -4.022 1.00 0.11 H new ATOM 0 HZ1 LYS B 49 13.158 -3.534 -5.810 1.00 0.20 H new ATOM 0 HZ2 LYS B 49 12.203 -4.816 -6.381 1.00 0.20 H new ATOM 0 HZ3 LYS B 49 11.681 -3.214 -6.585 1.00 0.20 H new ATOM 1257 N LYS B 50 11.080 -7.789 -0.485 1.00 0.15 N ATOM 1258 CA LYS B 50 11.782 -8.848 0.245 1.00 0.18 C ATOM 1259 C LYS B 50 10.838 -9.594 1.165 1.00 0.20 C ATOM 1260 O LYS B 50 10.932 -10.802 1.323 1.00 0.26 O ATOM 1261 CB LYS B 50 12.876 -8.183 1.073 1.00 0.19 C ATOM 1262 CG LYS B 50 13.237 -8.895 2.364 1.00 0.24 C ATOM 1263 CD LYS B 50 14.264 -8.101 3.164 1.00 0.33 C ATOM 1264 CE LYS B 50 15.540 -7.855 2.370 1.00 1.07 C ATOM 1265 NZ LYS B 50 16.127 -9.116 1.844 1.00 1.88 N ATOM 0 H LYS B 50 11.362 -6.851 -0.200 1.00 0.15 H new ATOM 0 HA LYS B 50 12.198 -9.568 -0.460 1.00 0.18 H new ATOM 0 HB2 LYS B 50 13.773 -8.101 0.460 1.00 0.19 H new ATOM 0 HB3 LYS B 50 12.560 -7.168 1.313 1.00 0.19 H new ATOM 0 HG2 LYS B 50 12.339 -9.042 2.964 1.00 0.24 H new ATOM 0 HG3 LYS B 50 13.635 -9.884 2.138 1.00 0.24 H new ATOM 0 HD2 LYS B 50 13.832 -7.145 3.461 1.00 0.33 H new ATOM 0 HD3 LYS B 50 14.505 -8.640 4.080 1.00 0.33 H new ATOM 0 HE2 LYS B 50 15.325 -7.182 1.540 1.00 1.07 H new ATOM 0 HE3 LYS B 50 16.270 -7.354 3.005 1.00 1.07 H new ATOM 0 HZ1 LYS B 50 17.067 -8.921 1.444 1.00 1.88 H new ATOM 0 HZ2 LYS B 50 16.216 -9.806 2.617 1.00 1.88 H new ATOM 0 HZ3 LYS B 50 15.509 -9.504 1.103 1.00 1.88 H new ATOM 1279 N LEU B 51 9.957 -8.853 1.796 1.00 0.17 N ATOM 1280 CA LEU B 51 8.952 -9.423 2.656 1.00 0.17 C ATOM 1281 C LEU B 51 7.942 -10.158 1.815 1.00 0.18 C ATOM 1282 O LEU B 51 7.450 -11.229 2.177 1.00 0.20 O ATOM 1283 CB LEU B 51 8.263 -8.332 3.451 1.00 0.14 C ATOM 1284 CG LEU B 51 7.181 -8.834 4.383 1.00 0.12 C ATOM 1285 CD1 LEU B 51 7.719 -9.989 5.209 1.00 0.14 C ATOM 1286 CD2 LEU B 51 6.658 -7.700 5.246 1.00 0.13 C ATOM 0 H LEU B 51 9.919 -7.836 1.726 1.00 0.17 H new ATOM 0 HA LEU B 51 9.424 -10.116 3.353 1.00 0.17 H new ATOM 0 HB2 LEU B 51 9.011 -7.796 4.036 1.00 0.14 H new ATOM 0 HB3 LEU B 51 7.826 -7.614 2.758 1.00 0.14 H new ATOM 0 HG LEU B 51 6.336 -9.205 3.803 1.00 0.12 H new ATOM 0 HD11 LEU B 51 6.940 -10.350 5.880 1.00 0.14 H new ATOM 0 HD12 LEU B 51 8.030 -10.796 4.546 1.00 0.14 H new ATOM 0 HD13 LEU B 51 8.574 -9.650 5.795 1.00 0.14 H new ATOM 0 HD21 LEU B 51 5.881 -8.077 5.911 1.00 0.13 H new ATOM 0 HD22 LEU B 51 7.474 -7.288 5.839 1.00 0.13 H new ATOM 0 HD23 LEU B 51 6.243 -6.919 4.609 1.00 0.13 H new ATOM 1298 N ASN B 52 7.618 -9.546 0.699 1.00 0.18 N ATOM 1299 CA ASN B 52 6.855 -10.210 -0.329 1.00 0.26 C ATOM 1300 C ASN B 52 7.573 -11.496 -0.689 1.00 0.37 C ATOM 1301 O ASN B 52 6.987 -12.556 -0.684 1.00 0.63 O ATOM 1302 CB ASN B 52 6.707 -9.308 -1.555 1.00 0.40 C ATOM 1303 CG ASN B 52 5.850 -9.918 -2.634 1.00 0.79 C ATOM 1304 OD1 ASN B 52 6.337 -10.641 -3.496 1.00 1.86 O ATOM 1305 ND2 ASN B 52 4.565 -9.627 -2.600 1.00 0.29 N ATOM 0 H ASN B 52 7.874 -8.583 0.481 1.00 0.18 H new ATOM 0 HA ASN B 52 5.851 -10.434 0.033 1.00 0.26 H new ATOM 0 HB2 ASN B 52 6.273 -8.356 -1.249 1.00 0.40 H new ATOM 0 HB3 ASN B 52 7.695 -9.092 -1.962 1.00 0.40 H new ATOM 0 HD21 ASN B 52 3.937 -10.008 -3.308 1.00 0.29 H new ATOM 0 HD22 ASN B 52 4.199 -9.021 -1.866 1.00 0.29 H new ATOM 1312 N ASP B 53 8.873 -11.386 -0.883 1.00 0.31 N ATOM 1313 CA ASP B 53 9.724 -12.521 -1.236 1.00 0.37 C ATOM 1314 C ASP B 53 9.745 -13.536 -0.110 1.00 0.38 C ATOM 1315 O ASP B 53 9.863 -14.740 -0.338 1.00 0.47 O ATOM 1316 CB ASP B 53 11.162 -12.052 -1.504 1.00 0.38 C ATOM 1317 CG ASP B 53 11.357 -11.436 -2.877 1.00 0.93 C ATOM 1318 OD1 ASP B 53 10.495 -11.634 -3.760 1.00 1.71 O ATOM 1319 OD2 ASP B 53 12.382 -10.747 -3.082 1.00 1.59 O ATOM 0 H ASP B 53 9.378 -10.504 -0.801 1.00 0.31 H new ATOM 0 HA ASP B 53 9.315 -12.979 -2.136 1.00 0.37 H new ATOM 0 HB2 ASP B 53 11.444 -11.322 -0.745 1.00 0.38 H new ATOM 0 HB3 ASP B 53 11.837 -12.901 -1.397 1.00 0.38 H new ATOM 1324 N ALA B 54 9.611 -13.035 1.109 1.00 0.30 N ATOM 1325 CA ALA B 54 9.754 -13.851 2.294 1.00 0.30 C ATOM 1326 C ALA B 54 8.607 -14.826 2.431 1.00 0.27 C ATOM 1327 O ALA B 54 8.796 -15.991 2.770 1.00 0.32 O ATOM 1328 CB ALA B 54 9.811 -12.963 3.522 1.00 0.27 C ATOM 0 H ALA B 54 9.401 -12.055 1.299 1.00 0.30 H new ATOM 0 HA ALA B 54 10.679 -14.420 2.203 1.00 0.30 H new ATOM 0 HB1 ALA B 54 9.919 -13.581 4.413 1.00 0.27 H new ATOM 0 HB2 ALA B 54 10.663 -12.288 3.443 1.00 0.27 H new ATOM 0 HB3 ALA B 54 8.892 -12.381 3.593 1.00 0.27 H new ATOM 1334 N GLN B 55 7.416 -14.336 2.152 1.00 0.23 N ATOM 1335 CA GLN B 55 6.207 -15.086 2.422 1.00 0.23 C ATOM 1336 C GLN B 55 5.518 -15.506 1.133 1.00 0.27 C ATOM 1337 O GLN B 55 4.539 -16.257 1.158 1.00 0.34 O ATOM 1338 CB GLN B 55 5.273 -14.234 3.249 1.00 0.21 C ATOM 1339 CG GLN B 55 5.952 -13.614 4.441 1.00 0.18 C ATOM 1340 CD GLN B 55 5.053 -12.630 5.121 1.00 0.20 C ATOM 1341 OE1 GLN B 55 4.375 -12.941 6.100 1.00 0.27 O ATOM 1342 NE2 GLN B 55 4.981 -11.458 4.542 1.00 0.19 N ATOM 0 H GLN B 55 7.260 -13.418 1.737 1.00 0.23 H new ATOM 0 HA GLN B 55 6.473 -15.991 2.969 1.00 0.23 H new ATOM 0 HB2 GLN B 55 4.857 -13.445 2.622 1.00 0.21 H new ATOM 0 HB3 GLN B 55 4.437 -14.845 3.590 1.00 0.21 H new ATOM 0 HG2 GLN B 55 6.241 -14.394 5.145 1.00 0.18 H new ATOM 0 HG3 GLN B 55 6.868 -13.116 4.123 1.00 0.18 H new ATOM 0 HE21 GLN B 55 5.566 -11.252 3.732 1.00 0.19 H new ATOM 0 HE22 GLN B 55 4.340 -10.751 4.901 1.00 0.19 H new ATOM 1351 N ALA B 56 6.030 -14.993 0.014 1.00 0.27 N ATOM 1352 CA ALA B 56 5.499 -15.286 -1.312 1.00 0.32 C ATOM 1353 C ALA B 56 5.259 -16.780 -1.544 1.00 0.38 C ATOM 1354 O ALA B 56 4.186 -17.168 -2.007 1.00 0.41 O ATOM 1355 CB ALA B 56 6.447 -14.737 -2.355 1.00 0.39 C ATOM 0 H ALA B 56 6.829 -14.359 0.005 1.00 0.27 H new ATOM 0 HA ALA B 56 4.524 -14.805 -1.392 1.00 0.32 H new ATOM 0 HB1 ALA B 56 6.057 -14.952 -3.350 1.00 0.39 H new ATOM 0 HB2 ALA B 56 6.543 -13.659 -2.228 1.00 0.39 H new ATOM 0 HB3 ALA B 56 7.425 -15.204 -2.240 1.00 0.39 H new ATOM 1416 N GLY C 36 -10.982 -7.843 -3.809 1.00 0.40 N ATOM 1417 CA GLY C 36 -10.699 -6.823 -2.824 1.00 0.20 C ATOM 1418 C GLY C 36 -9.799 -5.728 -3.343 1.00 0.15 C ATOM 1419 O GLY C 36 -9.960 -5.264 -4.468 1.00 0.22 O ATOM 0 HA2 GLY C 36 -11.637 -6.383 -2.486 1.00 0.20 H new ATOM 0 HA3 GLY C 36 -10.233 -7.286 -1.955 1.00 0.20 H new ATOM 1423 N VAL C 37 -8.865 -5.297 -2.514 1.00 0.11 N ATOM 1424 CA VAL C 37 -7.919 -4.261 -2.894 1.00 0.09 C ATOM 1425 C VAL C 37 -6.501 -4.796 -2.730 1.00 0.10 C ATOM 1426 O VAL C 37 -6.245 -5.645 -1.876 1.00 0.16 O ATOM 1427 CB VAL C 37 -8.088 -2.985 -2.038 1.00 0.09 C ATOM 1428 CG1 VAL C 37 -9.524 -2.492 -2.077 1.00 0.08 C ATOM 1429 CG2 VAL C 37 -7.635 -3.223 -0.605 1.00 0.10 C ATOM 0 H VAL C 37 -8.740 -5.651 -1.566 1.00 0.11 H new ATOM 0 HA VAL C 37 -8.110 -3.993 -3.933 1.00 0.09 H new ATOM 0 HB VAL C 37 -7.453 -2.209 -2.466 1.00 0.09 H new ATOM 0 HG11 VAL C 37 -9.617 -1.593 -1.467 1.00 0.08 H new ATOM 0 HG12 VAL C 37 -9.802 -2.263 -3.106 1.00 0.08 H new ATOM 0 HG13 VAL C 37 -10.185 -3.266 -1.686 1.00 0.08 H new ATOM 0 HG21 VAL C 37 -7.765 -2.309 -0.026 1.00 0.10 H new ATOM 0 HG22 VAL C 37 -8.231 -4.021 -0.163 1.00 0.10 H new ATOM 0 HG23 VAL C 37 -6.583 -3.510 -0.599 1.00 0.10 H new ATOM 1439 N LEU C 38 -5.602 -4.326 -3.561 1.00 0.10 N ATOM 1440 CA LEU C 38 -4.214 -4.741 -3.506 1.00 0.11 C ATOM 1441 C LEU C 38 -3.315 -3.565 -3.150 1.00 0.12 C ATOM 1442 O LEU C 38 -3.462 -2.476 -3.701 1.00 0.20 O ATOM 1443 CB LEU C 38 -3.827 -5.361 -4.859 1.00 0.13 C ATOM 1444 CG LEU C 38 -2.332 -5.420 -5.192 1.00 0.11 C ATOM 1445 CD1 LEU C 38 -1.565 -6.062 -4.071 1.00 0.78 C ATOM 1446 CD2 LEU C 38 -2.098 -6.202 -6.473 1.00 0.74 C ATOM 0 H LEU C 38 -5.807 -3.647 -4.294 1.00 0.10 H new ATOM 0 HA LEU C 38 -4.082 -5.490 -2.725 1.00 0.11 H new ATOM 0 HB2 LEU C 38 -4.222 -6.376 -4.893 1.00 0.13 H new ATOM 0 HB3 LEU C 38 -4.328 -4.798 -5.646 1.00 0.13 H new ATOM 0 HG LEU C 38 -1.980 -4.397 -5.328 1.00 0.11 H new ATOM 0 HD11 LEU C 38 -0.506 -6.094 -4.327 1.00 0.78 H new ATOM 0 HD12 LEU C 38 -1.700 -5.482 -3.158 1.00 0.78 H new ATOM 0 HD13 LEU C 38 -1.931 -7.076 -3.914 1.00 0.78 H new ATOM 0 HD21 LEU C 38 -1.030 -6.232 -6.691 1.00 0.74 H new ATOM 0 HD22 LEU C 38 -2.472 -7.219 -6.352 1.00 0.74 H new ATOM 0 HD23 LEU C 38 -2.623 -5.718 -7.296 1.00 0.74 H new ATOM 1458 N TYR C 39 -2.393 -3.786 -2.219 1.00 0.10 N ATOM 1459 CA TYR C 39 -1.416 -2.780 -1.871 1.00 0.10 C ATOM 1460 C TYR C 39 -0.411 -2.674 -2.990 1.00 0.12 C ATOM 1461 O TYR C 39 0.333 -3.616 -3.272 1.00 0.15 O ATOM 1462 CB TYR C 39 -0.702 -3.124 -0.566 1.00 0.14 C ATOM 1463 CG TYR C 39 0.295 -2.069 -0.119 1.00 0.15 C ATOM 1464 CD1 TYR C 39 1.558 -1.986 -0.694 1.00 1.12 C ATOM 1465 CD2 TYR C 39 -0.024 -1.165 0.884 1.00 1.09 C ATOM 1466 CE1 TYR C 39 2.472 -1.035 -0.285 1.00 1.12 C ATOM 1467 CE2 TYR C 39 0.886 -0.213 1.302 1.00 1.09 C ATOM 1468 CZ TYR C 39 2.132 -0.154 0.714 1.00 0.16 C ATOM 1469 OH TYR C 39 3.040 0.786 1.133 1.00 0.17 O ATOM 0 H TYR C 39 -2.308 -4.657 -1.695 1.00 0.10 H new ATOM 0 HA TYR C 39 -1.928 -1.828 -1.728 1.00 0.10 H new ATOM 0 HB2 TYR C 39 -1.446 -3.264 0.219 1.00 0.14 H new ATOM 0 HB3 TYR C 39 -0.182 -4.075 -0.686 1.00 0.14 H new ATOM 0 HD1 TYR C 39 1.830 -2.679 -1.476 1.00 1.12 H new ATOM 0 HD2 TYR C 39 -1.000 -1.206 1.346 1.00 1.09 H new ATOM 0 HE1 TYR C 39 3.447 -0.984 -0.747 1.00 1.12 H new ATOM 0 HE2 TYR C 39 0.623 0.482 2.086 1.00 1.09 H new ATOM 0 HH TYR C 39 2.852 1.641 0.693 1.00 0.17 H new ATOM 1479 N VAL C 40 -0.407 -1.544 -3.631 1.00 0.10 N ATOM 1480 CA VAL C 40 0.533 -1.297 -4.692 1.00 0.11 C ATOM 1481 C VAL C 40 1.329 -0.037 -4.415 1.00 0.10 C ATOM 1482 O VAL C 40 0.864 0.877 -3.739 1.00 0.10 O ATOM 1483 CB VAL C 40 -0.178 -1.179 -6.051 1.00 0.12 C ATOM 1484 CG1 VAL C 40 -1.099 0.010 -6.069 1.00 0.11 C ATOM 1485 CG2 VAL C 40 0.821 -1.074 -7.185 1.00 0.13 C ATOM 0 H VAL C 40 -1.046 -0.773 -3.439 1.00 0.10 H new ATOM 0 HA VAL C 40 1.214 -2.147 -4.734 1.00 0.11 H new ATOM 0 HB VAL C 40 -0.767 -2.085 -6.193 1.00 0.12 H new ATOM 0 HG11 VAL C 40 -1.591 0.074 -7.039 1.00 0.11 H new ATOM 0 HG12 VAL C 40 -1.851 -0.100 -5.287 1.00 0.11 H new ATOM 0 HG13 VAL C 40 -0.523 0.919 -5.893 1.00 0.11 H new ATOM 0 HG21 VAL C 40 0.289 -0.992 -8.133 1.00 0.13 H new ATOM 0 HG22 VAL C 40 1.444 -0.191 -7.041 1.00 0.13 H new ATOM 0 HG23 VAL C 40 1.451 -1.964 -7.199 1.00 0.13 H new ATOM 1495 N GLY C 41 2.534 -0.013 -4.918 1.00 0.10 N ATOM 1496 CA GLY C 41 3.356 1.153 -4.818 1.00 0.09 C ATOM 1497 C GLY C 41 3.854 1.569 -6.172 1.00 0.09 C ATOM 1498 O GLY C 41 3.785 0.794 -7.120 1.00 0.09 O ATOM 0 H GLY C 41 2.967 -0.798 -5.405 1.00 0.10 H new ATOM 0 HA2 GLY C 41 2.788 1.967 -4.368 1.00 0.09 H new ATOM 0 HA3 GLY C 41 4.201 0.953 -4.160 1.00 0.09 H new ATOM 1502 N SER C 42 4.373 2.769 -6.265 1.00 0.11 N ATOM 1503 CA SER C 42 4.901 3.262 -7.516 1.00 0.12 C ATOM 1504 C SER C 42 6.244 3.903 -7.251 1.00 0.15 C ATOM 1505 O SER C 42 6.370 4.803 -6.417 1.00 0.17 O ATOM 1506 CB SER C 42 3.932 4.240 -8.191 1.00 0.12 C ATOM 1507 OG SER C 42 4.345 4.545 -9.513 1.00 0.15 O ATOM 0 H SER C 42 4.442 3.425 -5.487 1.00 0.11 H new ATOM 0 HA SER C 42 5.027 2.431 -8.210 1.00 0.12 H new ATOM 0 HB2 SER C 42 2.931 3.808 -8.211 1.00 0.12 H new ATOM 0 HB3 SER C 42 3.872 5.158 -7.606 1.00 0.12 H new ATOM 0 HG SER C 42 3.708 5.169 -9.919 1.00 0.15 H new ATOM 1513 N LYS C 43 7.247 3.387 -7.924 1.00 0.16 N ATOM 1514 CA LYS C 43 8.615 3.785 -7.698 1.00 0.19 C ATOM 1515 C LYS C 43 8.940 5.070 -8.437 1.00 0.19 C ATOM 1516 O LYS C 43 9.250 5.051 -9.623 1.00 0.19 O ATOM 1517 CB LYS C 43 9.536 2.686 -8.168 1.00 0.20 C ATOM 1518 CG LYS C 43 10.941 2.895 -7.718 1.00 0.23 C ATOM 1519 CD LYS C 43 11.021 2.746 -6.219 1.00 0.28 C ATOM 1520 CE LYS C 43 12.413 2.941 -5.680 1.00 0.34 C ATOM 1521 NZ LYS C 43 13.053 4.175 -6.208 1.00 0.89 N ATOM 0 H LYS C 43 7.135 2.676 -8.647 1.00 0.16 H new ATOM 0 HA LYS C 43 8.753 3.961 -6.631 1.00 0.19 H new ATOM 0 HB2 LYS C 43 9.176 1.728 -7.794 1.00 0.20 H new ATOM 0 HB3 LYS C 43 9.509 2.633 -9.256 1.00 0.20 H new ATOM 0 HG2 LYS C 43 11.599 2.173 -8.201 1.00 0.23 H new ATOM 0 HG3 LYS C 43 11.284 3.886 -8.014 1.00 0.23 H new ATOM 0 HD2 LYS C 43 10.352 3.469 -5.752 1.00 0.28 H new ATOM 0 HD3 LYS C 43 10.665 1.755 -5.939 1.00 0.28 H new ATOM 0 HE2 LYS C 43 12.376 2.990 -4.592 1.00 0.34 H new ATOM 0 HE3 LYS C 43 13.025 2.077 -5.939 1.00 0.34 H new ATOM 0 HZ1 LYS C 43 13.601 4.633 -5.452 1.00 0.89 H new ATOM 0 HZ2 LYS C 43 13.687 3.928 -6.994 1.00 0.89 H new ATOM 0 HZ3 LYS C 43 12.319 4.829 -6.548 1.00 0.89 H new ATOM 1535 N THR C 44 8.932 6.165 -7.713 1.00 0.23 N ATOM 1536 CA THR C 44 8.884 7.490 -8.319 1.00 0.26 C ATOM 1537 C THR C 44 10.016 8.409 -7.841 1.00 0.34 C ATOM 1538 O THR C 44 11.083 7.939 -7.446 1.00 0.37 O ATOM 1539 CB THR C 44 7.542 8.159 -7.993 1.00 0.30 C ATOM 1540 OG1 THR C 44 7.456 8.400 -6.582 1.00 0.39 O ATOM 1541 CG2 THR C 44 6.365 7.304 -8.426 1.00 0.26 C ATOM 0 H THR C 44 8.958 6.171 -6.693 1.00 0.23 H new ATOM 0 HA THR C 44 9.003 7.346 -9.393 1.00 0.26 H new ATOM 0 HB THR C 44 7.498 9.099 -8.543 1.00 0.30 H new ATOM 0 HG1 THR C 44 6.599 8.829 -6.375 1.00 0.39 H new ATOM 0 HG21 THR C 44 5.434 7.814 -8.177 1.00 0.26 H new ATOM 0 HG22 THR C 44 6.412 7.139 -9.502 1.00 0.26 H new ATOM 0 HG23 THR C 44 6.403 6.345 -7.910 1.00 0.26 H new ATOM 1549 N LYS C 45 9.769 9.722 -7.904 1.00 0.40 N ATOM 1550 CA LYS C 45 10.739 10.728 -7.473 1.00 0.49 C ATOM 1551 C LYS C 45 10.927 10.677 -5.961 1.00 0.50 C ATOM 1552 O LYS C 45 12.054 10.712 -5.463 1.00 0.57 O ATOM 1553 CB LYS C 45 10.281 12.128 -7.894 1.00 0.59 C ATOM 1554 CG LYS C 45 9.978 12.263 -9.381 1.00 1.53 C ATOM 1555 CD LYS C 45 11.183 11.929 -10.248 1.00 2.10 C ATOM 1556 CE LYS C 45 12.354 12.859 -9.973 1.00 2.43 C ATOM 1557 NZ LYS C 45 13.513 12.565 -10.854 1.00 3.18 N ATOM 0 H LYS C 45 8.894 10.113 -8.254 1.00 0.40 H new ATOM 0 HA LYS C 45 11.693 10.509 -7.953 1.00 0.49 H new ATOM 0 HB2 LYS C 45 9.388 12.392 -7.327 1.00 0.59 H new ATOM 0 HB3 LYS C 45 11.054 12.848 -7.625 1.00 0.59 H new ATOM 0 HG2 LYS C 45 9.151 11.603 -9.642 1.00 1.53 H new ATOM 0 HG3 LYS C 45 9.652 13.281 -9.592 1.00 1.53 H new ATOM 0 HD2 LYS C 45 11.487 10.898 -10.065 1.00 2.10 H new ATOM 0 HD3 LYS C 45 10.904 11.998 -11.299 1.00 2.10 H new ATOM 0 HE2 LYS C 45 12.039 13.892 -10.120 1.00 2.43 H new ATOM 0 HE3 LYS C 45 12.657 12.763 -8.930 1.00 2.43 H new ATOM 0 HZ1 LYS C 45 14.290 13.220 -10.635 1.00 3.18 H new ATOM 0 HZ2 LYS C 45 13.830 11.587 -10.696 1.00 3.18 H new ATOM 0 HZ3 LYS C 45 13.232 12.681 -11.848 1.00 3.18 H new ATOM 1571 N GLU C 46 9.815 10.599 -5.234 1.00 0.47 N ATOM 1572 CA GLU C 46 9.859 10.362 -3.793 1.00 0.51 C ATOM 1573 C GLU C 46 10.309 8.927 -3.581 1.00 0.48 C ATOM 1574 O GLU C 46 10.993 8.583 -2.616 1.00 0.55 O ATOM 1575 CB GLU C 46 8.477 10.593 -3.176 1.00 0.51 C ATOM 1576 CG GLU C 46 7.943 11.999 -3.404 1.00 0.63 C ATOM 1577 CD GLU C 46 6.516 12.171 -2.928 1.00 0.73 C ATOM 1578 OE1 GLU C 46 6.301 12.251 -1.700 1.00 0.88 O ATOM 1579 OE2 GLU C 46 5.602 12.222 -3.775 1.00 0.72 O ATOM 0 H GLU C 46 8.875 10.696 -5.617 1.00 0.47 H new ATOM 0 HA GLU C 46 10.552 11.050 -3.310 1.00 0.51 H new ATOM 0 HB2 GLU C 46 7.775 9.873 -3.595 1.00 0.51 H new ATOM 0 HB3 GLU C 46 8.529 10.401 -2.104 1.00 0.51 H new ATOM 0 HG2 GLU C 46 8.582 12.714 -2.886 1.00 0.63 H new ATOM 0 HG3 GLU C 46 7.997 12.235 -4.467 1.00 0.63 H new ATOM 1586 N GLY C 47 9.881 8.104 -4.515 1.00 0.38 N ATOM 1587 CA GLY C 47 10.438 6.798 -4.714 1.00 0.40 C ATOM 1588 C GLY C 47 9.514 5.692 -4.300 1.00 0.31 C ATOM 1589 O GLY C 47 9.610 4.607 -4.826 1.00 0.38 O ATOM 0 H GLY C 47 9.126 8.334 -5.162 1.00 0.38 H new ATOM 0 HA2 GLY C 47 10.692 6.675 -5.767 1.00 0.40 H new ATOM 0 HA3 GLY C 47 11.367 6.717 -4.150 1.00 0.40 H new ATOM 1593 N VAL C 48 8.560 5.972 -3.439 1.00 0.21 N ATOM 1594 CA VAL C 48 7.543 4.988 -3.102 1.00 0.15 C ATOM 1595 C VAL C 48 6.263 5.689 -2.686 1.00 0.10 C ATOM 1596 O VAL C 48 6.259 6.492 -1.752 1.00 0.12 O ATOM 1597 CB VAL C 48 8.011 3.995 -1.993 1.00 0.15 C ATOM 1598 CG1 VAL C 48 6.853 3.235 -1.388 1.00 0.15 C ATOM 1599 CG2 VAL C 48 9.015 2.998 -2.544 1.00 0.20 C ATOM 0 H VAL C 48 8.463 6.867 -2.959 1.00 0.21 H new ATOM 0 HA VAL C 48 7.358 4.392 -3.996 1.00 0.15 H new ATOM 0 HB VAL C 48 8.479 4.599 -1.215 1.00 0.15 H new ATOM 0 HG11 VAL C 48 7.225 2.556 -0.621 1.00 0.15 H new ATOM 0 HG12 VAL C 48 6.150 3.938 -0.940 1.00 0.15 H new ATOM 0 HG13 VAL C 48 6.348 2.662 -2.166 1.00 0.15 H new ATOM 0 HG21 VAL C 48 9.325 2.318 -1.751 1.00 0.20 H new ATOM 0 HG22 VAL C 48 8.556 2.428 -3.352 1.00 0.20 H new ATOM 0 HG23 VAL C 48 9.886 3.531 -2.925 1.00 0.20 H new ATOM 1609 N VAL C 49 5.193 5.409 -3.400 1.00 0.09 N ATOM 1610 CA VAL C 49 3.882 5.882 -3.012 1.00 0.07 C ATOM 1611 C VAL C 49 2.995 4.693 -2.714 1.00 0.08 C ATOM 1612 O VAL C 49 3.088 3.661 -3.375 1.00 0.12 O ATOM 1613 CB VAL C 49 3.222 6.769 -4.090 1.00 0.07 C ATOM 1614 CG1 VAL C 49 3.008 5.996 -5.386 1.00 0.07 C ATOM 1615 CG2 VAL C 49 1.905 7.335 -3.570 1.00 0.09 C ATOM 0 H VAL C 49 5.206 4.854 -4.256 1.00 0.09 H new ATOM 0 HA VAL C 49 4.006 6.503 -2.125 1.00 0.07 H new ATOM 0 HB VAL C 49 3.895 7.598 -4.310 1.00 0.07 H new ATOM 0 HG11 VAL C 49 2.542 6.647 -6.125 1.00 0.07 H new ATOM 0 HG12 VAL C 49 3.969 5.647 -5.764 1.00 0.07 H new ATOM 0 HG13 VAL C 49 2.360 5.140 -5.196 1.00 0.07 H new ATOM 0 HG21 VAL C 49 1.448 7.959 -4.338 1.00 0.09 H new ATOM 0 HG22 VAL C 49 1.231 6.516 -3.319 1.00 0.09 H new ATOM 0 HG23 VAL C 49 2.093 7.935 -2.680 1.00 0.09 H new ATOM 1625 N HIS C 50 2.159 4.829 -1.712 1.00 0.08 N ATOM 1626 CA HIS C 50 1.304 3.741 -1.292 1.00 0.09 C ATOM 1627 C HIS C 50 -0.066 3.922 -1.909 1.00 0.07 C ATOM 1628 O HIS C 50 -0.802 4.852 -1.568 1.00 0.09 O ATOM 1629 CB HIS C 50 1.196 3.698 0.233 1.00 0.13 C ATOM 1630 CG HIS C 50 2.394 4.269 0.930 1.00 0.17 C ATOM 1631 ND1 HIS C 50 3.584 3.588 1.003 1.00 0.23 N ATOM 1632 CD2 HIS C 50 2.536 5.474 1.525 1.00 0.20 C ATOM 1633 CE1 HIS C 50 4.419 4.390 1.634 1.00 0.28 C ATOM 1634 NE2 HIS C 50 3.830 5.547 1.971 1.00 0.26 N ATOM 0 H HIS C 50 2.052 5.686 -1.169 1.00 0.08 H new ATOM 0 HA HIS C 50 1.734 2.797 -1.626 1.00 0.09 H new ATOM 0 HB2 HIS C 50 0.308 4.249 0.543 1.00 0.13 H new ATOM 0 HB3 HIS C 50 1.058 2.665 0.551 1.00 0.13 H new ATOM 0 HD2 HIS C 50 1.776 6.234 1.629 1.00 0.20 H new ATOM 0 HE1 HIS C 50 5.448 4.146 1.852 1.00 0.28 H new ATOM 0 HE2 HIS C 50 4.261 6.329 2.463 1.00 0.26 H new ATOM 1642 N GLY C 51 -0.384 3.063 -2.848 1.00 0.06 N ATOM 1643 CA GLY C 51 -1.664 3.117 -3.490 1.00 0.05 C ATOM 1644 C GLY C 51 -2.384 1.805 -3.382 1.00 0.06 C ATOM 1645 O GLY C 51 -1.926 0.891 -2.693 1.00 0.07 O ATOM 0 H GLY C 51 0.230 2.320 -3.181 1.00 0.06 H new ATOM 0 HA2 GLY C 51 -2.267 3.904 -3.037 1.00 0.05 H new ATOM 0 HA3 GLY C 51 -1.536 3.378 -4.540 1.00 0.05 H new ATOM 1649 N VAL C 52 -3.497 1.692 -4.069 1.00 0.07 N ATOM 1650 CA VAL C 52 -4.296 0.497 -3.979 1.00 0.08 C ATOM 1651 C VAL C 52 -4.860 0.116 -5.322 1.00 0.09 C ATOM 1652 O VAL C 52 -5.409 0.942 -6.039 1.00 0.09 O ATOM 1653 CB VAL C 52 -5.431 0.620 -2.914 1.00 0.08 C ATOM 1654 CG1 VAL C 52 -5.710 2.068 -2.535 1.00 0.08 C ATOM 1655 CG2 VAL C 52 -6.720 -0.023 -3.387 1.00 0.08 C ATOM 0 H VAL C 52 -3.866 2.410 -4.692 1.00 0.07 H new ATOM 0 HA VAL C 52 -3.631 -0.300 -3.648 1.00 0.08 H new ATOM 0 HB VAL C 52 -5.069 0.090 -2.033 1.00 0.08 H new ATOM 0 HG11 VAL C 52 -6.507 2.103 -1.792 1.00 0.08 H new ATOM 0 HG12 VAL C 52 -4.807 2.516 -2.120 1.00 0.08 H new ATOM 0 HG13 VAL C 52 -6.016 2.624 -3.421 1.00 0.08 H new ATOM 0 HG21 VAL C 52 -7.484 0.084 -2.617 1.00 0.08 H new ATOM 0 HG22 VAL C 52 -7.056 0.465 -4.302 1.00 0.08 H new ATOM 0 HG23 VAL C 52 -6.548 -1.081 -3.582 1.00 0.08 H new ATOM 1665 N ALA C 53 -4.713 -1.148 -5.647 1.00 0.10 N ATOM 1666 CA ALA C 53 -5.258 -1.682 -6.859 1.00 0.10 C ATOM 1667 C ALA C 53 -6.496 -2.470 -6.511 1.00 0.09 C ATOM 1668 O ALA C 53 -6.409 -3.554 -5.943 1.00 0.12 O ATOM 1669 CB ALA C 53 -4.241 -2.570 -7.550 1.00 0.11 C ATOM 0 H ALA C 53 -4.212 -1.828 -5.075 1.00 0.10 H new ATOM 0 HA ALA C 53 -5.512 -0.872 -7.543 1.00 0.10 H new ATOM 0 HB1 ALA C 53 -4.671 -2.968 -8.469 1.00 0.11 H new ATOM 0 HB2 ALA C 53 -3.351 -1.987 -7.788 1.00 0.11 H new ATOM 0 HB3 ALA C 53 -3.969 -3.394 -6.890 1.00 0.11 H new ATOM 1675 N THR C 54 -7.644 -1.932 -6.832 1.00 0.09 N ATOM 1676 CA THR C 54 -8.878 -2.575 -6.430 1.00 0.12 C ATOM 1677 C THR C 54 -9.242 -3.621 -7.458 1.00 0.19 C ATOM 1678 O THR C 54 -9.555 -3.309 -8.595 1.00 0.45 O ATOM 1679 CB THR C 54 -10.020 -1.562 -6.226 1.00 0.14 C ATOM 1680 OG1 THR C 54 -11.283 -2.230 -6.098 1.00 0.23 O ATOM 1681 CG2 THR C 54 -10.071 -0.578 -7.371 1.00 0.14 C ATOM 0 H THR C 54 -7.756 -1.067 -7.360 1.00 0.09 H new ATOM 0 HA THR C 54 -8.725 -3.055 -5.463 1.00 0.12 H new ATOM 0 HB THR C 54 -9.821 -1.018 -5.303 1.00 0.14 H new ATOM 0 HG1 THR C 54 -11.992 -1.566 -5.968 1.00 0.23 H new ATOM 0 HG21 THR C 54 -10.885 0.129 -7.207 1.00 0.14 H new ATOM 0 HG22 THR C 54 -9.126 -0.037 -7.428 1.00 0.14 H new ATOM 0 HG23 THR C 54 -10.239 -1.115 -8.305 1.00 0.14 H new ATOM 1689 N VAL C 55 -9.194 -4.861 -7.030 1.00 0.23 N ATOM 1690 CA VAL C 55 -9.246 -5.997 -7.925 1.00 0.29 C ATOM 1691 C VAL C 55 -10.582 -6.720 -7.809 1.00 0.36 C ATOM 1692 O VAL C 55 -11.129 -6.867 -6.713 1.00 0.35 O ATOM 1693 CB VAL C 55 -8.087 -6.968 -7.594 1.00 0.29 C ATOM 1694 CG1 VAL C 55 -8.052 -7.271 -6.099 1.00 0.23 C ATOM 1695 CG2 VAL C 55 -8.187 -8.254 -8.402 1.00 0.39 C ATOM 0 H VAL C 55 -9.117 -5.113 -6.045 1.00 0.23 H new ATOM 0 HA VAL C 55 -9.142 -5.640 -8.949 1.00 0.29 H new ATOM 0 HB VAL C 55 -7.154 -6.477 -7.871 1.00 0.29 H new ATOM 0 HG11 VAL C 55 -7.231 -7.955 -5.886 1.00 0.23 H new ATOM 0 HG12 VAL C 55 -7.906 -6.345 -5.543 1.00 0.23 H new ATOM 0 HG13 VAL C 55 -8.994 -7.730 -5.799 1.00 0.23 H new ATOM 0 HG21 VAL C 55 -7.357 -8.912 -8.144 1.00 0.39 H new ATOM 0 HG22 VAL C 55 -9.129 -8.753 -8.176 1.00 0.39 H new ATOM 0 HG23 VAL C 55 -8.146 -8.019 -9.466 1.00 0.39 H new ATOM 1705 N ALA C 56 -11.105 -7.157 -8.940 1.00 0.49 N ATOM 1706 CA ALA C 56 -12.332 -7.922 -8.967 1.00 0.64 C ATOM 1707 C ALA C 56 -12.089 -9.315 -8.403 1.00 0.75 C ATOM 1708 O ALA C 56 -12.512 -9.576 -7.258 1.00 1.43 O ATOM 1709 CB ALA C 56 -12.866 -7.994 -10.386 1.00 0.86 C ATOM 1710 OXT ALA C 56 -11.430 -10.128 -9.083 1.00 1.16 O ATOM 0 H ALA C 56 -10.693 -6.992 -9.858 1.00 0.49 H new ATOM 0 HA ALA C 56 -13.079 -7.428 -8.346 1.00 0.64 H new ATOM 0 HB1 ALA C 56 -13.790 -8.572 -10.398 1.00 0.86 H new ATOM 0 HB2 ALA C 56 -13.063 -6.986 -10.752 1.00 0.86 H new ATOM 0 HB3 ALA C 56 -12.129 -8.476 -11.028 1.00 0.86 H new