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 89:sc= 0.257 USER MOD Set 1.2: C 50 HIS : no HD1:sc= -0.551 K(o=-0.29,f=-2.6) USER MOD Set 2.1: B 26 GLN : amide:sc= -5.06! K(o=-6.9!,f=-2) USER MOD Set 2.2: B 55 GLN : amide:sc= -1.87 K(o=-6.9,f=-2.4) USER MOD Set 3.1: A 21 ASN : amide:sc= -1.9! K(o=-3.6!,f=-2.5) USER MOD Set 3.2: A 52 ASN : amide:sc= -1.67 K(o=-3.6,f=-1.9) USER MOD Set 4.1: A 35 HIS : no HD1:sc= -0.212 K(o=-0.42,f=-1.8) USER MOD Set 4.2: B 23 ASN : amide:sc= -0.206 K(o=-0.42,f=-1.9) USER MOD Single : A 18 TYR OH : rot 180:sc= -3.85! USER MOD Single : A 23 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.2) USER MOD Single : A 26 GLN : amide:sc= -3.25! C(o=-3.2!,f=-1.6!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.65! C(o=-1.7!,f=-6!) USER MOD Single : A 41 SER OG : rot -98:sc= 0.917 USER MOD Single : A 43 ASN : amide:sc= -2.9! K(o=-2.9!,f=-0.35) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= 1.25 (180deg=1.15) USER MOD Single : A 55 GLN : amide:sc= -0.519 K(o=-0.52,f=-1) USER MOD Single : B 18 TYR OH : rot 180:sc= -1.61! USER MOD Single : B 21 ASN : amide:sc= -2.51 K(o=-2.5,f=-1.8) USER MOD Single : B 32 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 33 SER OG : rot 76:sc= 0.0302 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= -0.0701 X(o=-0.07,f=-0.07) USER MOD Single : B 41 SER OG : rot -146:sc= 0.921 USER MOD Single : B 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 49 LYS NZ :NH3+ 149:sc= -0.422 (180deg=-1.23) USER MOD Single : B 50 LYS NZ :NH3+ -168:sc= -0.0504 (180deg=-0.288) USER MOD Single : B 52 ASN : amide:sc= -7.14! C(o=-7.1!,f=-13!) USER MOD Single : C 42 SER OG : rot 180:sc= -0.0207 USER MOD Single : C 43 LYS NZ :NH3+ 167:sc= -0.086 (180deg=-0.283) USER MOD Single : C 44 THR OG1 : rot 180:sc= -0.0618 USER MOD Single : C 45 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0524) USER MOD Single : C 54 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 22 N GLU A 15 -7.771 -1.711 -10.653 1.00 0.31 N ATOM 23 CA GLU A 15 -7.231 -0.387 -10.939 1.00 0.18 C ATOM 24 C GLU A 15 -6.633 0.237 -9.686 1.00 0.13 C ATOM 25 O GLU A 15 -6.968 -0.150 -8.572 1.00 0.17 O ATOM 26 CB GLU A 15 -8.325 0.502 -11.527 1.00 0.24 C ATOM 27 CG GLU A 15 -9.218 1.177 -10.506 1.00 0.30 C ATOM 28 CD GLU A 15 -10.308 1.998 -11.162 1.00 0.58 C ATOM 29 OE1 GLU A 15 -10.066 3.185 -11.467 1.00 1.58 O ATOM 30 OE2 GLU A 15 -11.412 1.455 -11.381 1.00 0.94 O ATOM 0 HA GLU A 15 -6.430 -0.484 -11.672 1.00 0.18 H new ATOM 0 HB2 GLU A 15 -7.857 1.270 -12.142 1.00 0.24 H new ATOM 0 HB3 GLU A 15 -8.946 -0.101 -12.189 1.00 0.24 H new ATOM 0 HG2 GLU A 15 -9.670 0.421 -9.863 1.00 0.30 H new ATOM 0 HG3 GLU A 15 -8.615 1.821 -9.866 1.00 0.30 H new ATOM 37 N ILE A 16 -5.753 1.205 -9.871 1.00 0.12 N ATOM 38 CA ILE A 16 -4.980 1.737 -8.761 1.00 0.11 C ATOM 39 C ILE A 16 -5.506 3.077 -8.268 1.00 0.10 C ATOM 40 O ILE A 16 -5.939 3.928 -9.045 1.00 0.14 O ATOM 41 CB ILE A 16 -3.500 1.929 -9.135 1.00 0.12 C ATOM 42 CG1 ILE A 16 -2.957 0.696 -9.849 1.00 0.13 C ATOM 43 CG2 ILE A 16 -2.686 2.204 -7.878 1.00 0.11 C ATOM 44 CD1 ILE A 16 -2.465 -0.361 -8.901 1.00 0.12 C ATOM 0 H ILE A 16 -5.556 1.637 -10.774 1.00 0.12 H new ATOM 0 HA ILE A 16 -5.078 0.995 -7.969 1.00 0.11 H new ATOM 0 HB ILE A 16 -3.420 2.779 -9.813 1.00 0.12 H new ATOM 0 HG12 ILE A 16 -3.739 0.275 -10.481 1.00 0.13 H new ATOM 0 HG13 ILE A 16 -2.141 0.994 -10.508 1.00 0.13 H new ATOM 0 HG21 ILE A 16 -1.638 2.340 -8.146 1.00 0.11 H new ATOM 0 HG22 ILE A 16 -3.057 3.108 -7.395 1.00 0.11 H new ATOM 0 HG23 ILE A 16 -2.779 1.362 -7.193 1.00 0.11 H new ATOM 0 HD11 ILE A 16 -2.091 -1.213 -9.469 1.00 0.12 H new ATOM 0 HD12 ILE A 16 -1.662 0.046 -8.287 1.00 0.12 H new ATOM 0 HD13 ILE A 16 -3.285 -0.684 -8.259 1.00 0.12 H new ATOM 56 N PHE A 17 -5.430 3.247 -6.964 1.00 0.09 N ATOM 57 CA PHE A 17 -5.738 4.501 -6.309 1.00 0.09 C ATOM 58 C PHE A 17 -4.666 4.806 -5.278 1.00 0.07 C ATOM 59 O PHE A 17 -4.567 4.123 -4.270 1.00 0.07 O ATOM 60 CB PHE A 17 -7.108 4.423 -5.638 1.00 0.09 C ATOM 61 CG PHE A 17 -8.245 4.404 -6.615 1.00 0.12 C ATOM 62 CD1 PHE A 17 -8.753 5.589 -7.124 1.00 1.11 C ATOM 63 CD2 PHE A 17 -8.803 3.205 -7.026 1.00 1.24 C ATOM 64 CE1 PHE A 17 -9.798 5.578 -8.027 1.00 1.09 C ATOM 65 CE2 PHE A 17 -9.849 3.190 -7.926 1.00 1.28 C ATOM 66 CZ PHE A 17 -10.347 4.377 -8.428 1.00 0.22 C ATOM 0 H PHE A 17 -5.149 2.507 -6.321 1.00 0.09 H new ATOM 0 HA PHE A 17 -5.762 5.299 -7.051 1.00 0.09 H new ATOM 0 HB2 PHE A 17 -7.153 3.525 -5.021 1.00 0.09 H new ATOM 0 HB3 PHE A 17 -7.227 5.275 -4.969 1.00 0.09 H new ATOM 0 HD1 PHE A 17 -8.327 6.531 -6.811 1.00 1.11 H new ATOM 0 HD2 PHE A 17 -8.416 2.274 -6.639 1.00 1.24 H new ATOM 0 HE1 PHE A 17 -10.185 6.507 -8.418 1.00 1.09 H new ATOM 0 HE2 PHE A 17 -10.279 2.250 -8.238 1.00 1.28 H new ATOM 0 HZ PHE A 17 -11.165 4.365 -9.133 1.00 0.22 H new ATOM 76 N TYR A 18 -3.835 5.799 -5.548 1.00 0.07 N ATOM 77 CA TYR A 18 -2.764 6.152 -4.623 1.00 0.06 C ATOM 78 C TYR A 18 -3.273 7.068 -3.522 1.00 0.07 C ATOM 79 O TYR A 18 -4.078 7.965 -3.773 1.00 0.09 O ATOM 80 CB TYR A 18 -1.609 6.827 -5.360 1.00 0.06 C ATOM 81 CG TYR A 18 -1.109 6.030 -6.536 1.00 0.06 C ATOM 82 CD1 TYR A 18 -0.271 4.934 -6.361 1.00 1.19 C ATOM 83 CD2 TYR A 18 -1.487 6.372 -7.824 1.00 1.15 C ATOM 84 CE1 TYR A 18 0.179 4.201 -7.442 1.00 1.20 C ATOM 85 CE2 TYR A 18 -1.047 5.651 -8.908 1.00 1.16 C ATOM 86 CZ TYR A 18 -0.218 4.568 -8.719 1.00 0.09 C ATOM 87 OH TYR A 18 0.215 3.861 -9.813 1.00 0.10 O ATOM 0 H TYR A 18 -3.878 6.372 -6.391 1.00 0.07 H new ATOM 0 HA TYR A 18 -2.404 5.228 -4.171 1.00 0.06 H new ATOM 0 HB2 TYR A 18 -1.932 7.809 -5.706 1.00 0.06 H new ATOM 0 HB3 TYR A 18 -0.787 6.989 -4.663 1.00 0.06 H new ATOM 0 HD1 TYR A 18 0.033 4.651 -5.364 1.00 1.19 H new ATOM 0 HD2 TYR A 18 -2.138 7.219 -7.979 1.00 1.15 H new ATOM 0 HE1 TYR A 18 0.832 3.353 -7.295 1.00 1.20 H new ATOM 0 HE2 TYR A 18 -1.351 5.933 -9.905 1.00 1.16 H new ATOM 0 HH TYR A 18 -0.161 4.256 -10.627 1.00 0.10 H new ATOM 97 N LEU A 19 -2.794 6.839 -2.304 1.00 0.07 N ATOM 98 CA LEU A 19 -3.138 7.681 -1.171 1.00 0.08 C ATOM 99 C LEU A 19 -1.860 8.223 -0.548 1.00 0.11 C ATOM 100 O LEU A 19 -1.497 7.846 0.563 1.00 0.12 O ATOM 101 CB LEU A 19 -3.899 6.907 -0.085 1.00 0.07 C ATOM 102 CG LEU A 19 -5.188 6.173 -0.490 1.00 0.07 C ATOM 103 CD1 LEU A 19 -6.117 7.077 -1.274 1.00 0.08 C ATOM 104 CD2 LEU A 19 -4.894 4.896 -1.255 1.00 0.08 C ATOM 0 H LEU A 19 -2.162 6.071 -2.078 1.00 0.07 H new ATOM 0 HA LEU A 19 -3.778 8.482 -1.542 1.00 0.08 H new ATOM 0 HB2 LEU A 19 -3.216 6.172 0.342 1.00 0.07 H new ATOM 0 HB3 LEU A 19 -4.150 7.608 0.711 1.00 0.07 H new ATOM 0 HG LEU A 19 -5.697 5.890 0.432 1.00 0.07 H new ATOM 0 HD11 LEU A 19 -7.018 6.526 -1.544 1.00 0.08 H new ATOM 0 HD12 LEU A 19 -6.388 7.938 -0.663 1.00 0.08 H new ATOM 0 HD13 LEU A 19 -5.615 7.418 -2.179 1.00 0.08 H new ATOM 0 HD21 LEU A 19 -5.831 4.408 -1.522 1.00 0.08 H new ATOM 0 HD22 LEU A 19 -4.338 5.135 -2.161 1.00 0.08 H new ATOM 0 HD23 LEU A 19 -4.301 4.227 -0.631 1.00 0.08 H new ATOM 116 N PRO A 20 -1.171 9.139 -1.233 1.00 0.13 N ATOM 117 CA PRO A 20 0.120 9.646 -0.772 1.00 0.16 C ATOM 118 C PRO A 20 -0.031 10.690 0.315 1.00 0.22 C ATOM 119 O PRO A 20 0.942 11.302 0.754 1.00 0.28 O ATOM 120 CB PRO A 20 0.693 10.287 -2.021 1.00 0.16 C ATOM 121 CG PRO A 20 -0.505 10.779 -2.760 1.00 0.16 C ATOM 122 CD PRO A 20 -1.586 9.766 -2.503 1.00 0.13 C ATOM 0 HA PRO A 20 0.741 8.861 -0.340 1.00 0.16 H new ATOM 0 HB2 PRO A 20 1.372 11.103 -1.774 1.00 0.16 H new ATOM 0 HB3 PRO A 20 1.260 9.569 -2.614 1.00 0.16 H new ATOM 0 HG2 PRO A 20 -0.803 11.767 -2.409 1.00 0.16 H new ATOM 0 HG3 PRO A 20 -0.298 10.868 -3.826 1.00 0.16 H new ATOM 0 HD2 PRO A 20 -2.566 10.236 -2.418 1.00 0.13 H new ATOM 0 HD3 PRO A 20 -1.652 9.035 -3.309 1.00 0.13 H new ATOM 130 N ASN A 21 -1.258 10.885 0.751 1.00 0.22 N ATOM 131 CA ASN A 21 -1.548 11.939 1.703 1.00 0.27 C ATOM 132 C ASN A 21 -1.671 11.346 3.079 1.00 0.25 C ATOM 133 O ASN A 21 -1.368 11.980 4.084 1.00 0.31 O ATOM 134 CB ASN A 21 -2.845 12.652 1.336 1.00 0.30 C ATOM 135 CG ASN A 21 -2.750 13.385 0.014 1.00 0.54 C ATOM 136 OD1 ASN A 21 -1.670 13.793 -0.413 1.00 1.15 O ATOM 137 ND2 ASN A 21 -3.886 13.571 -0.634 1.00 0.35 N ATOM 0 H ASN A 21 -2.066 10.332 0.465 1.00 0.22 H new ATOM 0 HA ASN A 21 -0.735 12.665 1.683 1.00 0.27 H new ATOM 0 HB2 ASN A 21 -3.655 11.924 1.287 1.00 0.30 H new ATOM 0 HB3 ASN A 21 -3.101 13.361 2.123 1.00 0.30 H new ATOM 0 HD21 ASN A 21 -3.890 14.069 -1.524 1.00 0.35 H new ATOM 0 HD22 ASN A 21 -4.759 13.216 -0.244 1.00 0.35 H new ATOM 144 N LEU A 22 -2.069 10.097 3.091 1.00 0.18 N ATOM 145 CA LEU A 22 -2.419 9.414 4.313 1.00 0.17 C ATOM 146 C LEU A 22 -1.149 8.946 5.006 1.00 0.20 C ATOM 147 O LEU A 22 -0.248 8.405 4.366 1.00 0.35 O ATOM 148 CB LEU A 22 -3.346 8.239 3.970 1.00 0.14 C ATOM 149 CG LEU A 22 -4.489 8.613 3.020 1.00 0.11 C ATOM 150 CD1 LEU A 22 -5.478 7.472 2.831 1.00 0.09 C ATOM 151 CD2 LEU A 22 -5.195 9.854 3.519 1.00 0.11 C ATOM 0 H LEU A 22 -2.160 9.524 2.252 1.00 0.18 H new ATOM 0 HA LEU A 22 -2.946 10.080 4.996 1.00 0.17 H new ATOM 0 HB2 LEU A 22 -2.756 7.442 3.518 1.00 0.14 H new ATOM 0 HB3 LEU A 22 -3.768 7.839 4.892 1.00 0.14 H new ATOM 0 HG LEU A 22 -4.050 8.818 2.043 1.00 0.11 H new ATOM 0 HD11 LEU A 22 -6.269 7.785 2.150 1.00 0.09 H new ATOM 0 HD12 LEU A 22 -4.961 6.608 2.414 1.00 0.09 H new ATOM 0 HD13 LEU A 22 -5.913 7.204 3.794 1.00 0.09 H new ATOM 0 HD21 LEU A 22 -6.005 10.111 2.837 1.00 0.11 H new ATOM 0 HD22 LEU A 22 -5.603 9.666 4.512 1.00 0.11 H new ATOM 0 HD23 LEU A 22 -4.486 10.681 3.568 1.00 0.11 H new ATOM 163 N ASN A 23 -1.049 9.201 6.298 1.00 0.17 N ATOM 164 CA ASN A 23 0.118 8.782 7.055 1.00 0.20 C ATOM 165 C ASN A 23 0.070 7.278 7.275 1.00 0.24 C ATOM 166 O ASN A 23 -1.013 6.699 7.266 1.00 0.34 O ATOM 167 CB ASN A 23 0.217 9.548 8.386 1.00 0.33 C ATOM 168 CG ASN A 23 -1.019 9.446 9.230 1.00 0.66 C ATOM 169 OD1 ASN A 23 -2.010 10.136 8.988 1.00 1.47 O ATOM 170 ND2 ASN A 23 -0.957 8.641 10.257 1.00 0.99 N ATOM 0 H ASN A 23 -1.757 9.693 6.843 1.00 0.17 H new ATOM 0 HA ASN A 23 1.017 9.019 6.485 1.00 0.20 H new ATOM 0 HB2 ASN A 23 1.067 9.167 8.953 1.00 0.33 H new ATOM 0 HB3 ASN A 23 0.419 10.599 8.177 1.00 0.33 H new ATOM 0 HD21 ASN A 23 -1.749 8.566 10.895 1.00 0.99 H new ATOM 0 HD22 ASN A 23 -0.116 8.087 10.421 1.00 0.99 H new ATOM 177 N PRO A 24 1.239 6.627 7.423 1.00 0.22 N ATOM 178 CA PRO A 24 1.356 5.163 7.530 1.00 0.23 C ATOM 179 C PRO A 24 0.263 4.508 8.373 1.00 0.23 C ATOM 180 O PRO A 24 -0.243 3.441 8.022 1.00 0.23 O ATOM 181 CB PRO A 24 2.714 5.003 8.202 1.00 0.25 C ATOM 182 CG PRO A 24 3.519 6.116 7.641 1.00 0.24 C ATOM 183 CD PRO A 24 2.567 7.272 7.481 1.00 0.22 C ATOM 0 HA PRO A 24 1.254 4.677 6.559 1.00 0.23 H new ATOM 0 HB2 PRO A 24 2.634 5.074 9.287 1.00 0.25 H new ATOM 0 HB3 PRO A 24 3.160 4.034 7.978 1.00 0.25 H new ATOM 0 HG2 PRO A 24 4.342 6.377 8.306 1.00 0.24 H new ATOM 0 HG3 PRO A 24 3.959 5.836 6.684 1.00 0.24 H new ATOM 0 HD2 PRO A 24 2.638 7.968 8.317 1.00 0.22 H new ATOM 0 HD3 PRO A 24 2.776 7.840 6.575 1.00 0.22 H new ATOM 191 N ASP A 25 -0.115 5.163 9.463 1.00 0.22 N ATOM 192 CA ASP A 25 -1.140 4.638 10.363 1.00 0.23 C ATOM 193 C ASP A 25 -2.458 4.444 9.620 1.00 0.24 C ATOM 194 O ASP A 25 -3.114 3.412 9.748 1.00 0.27 O ATOM 195 CB ASP A 25 -1.337 5.586 11.547 1.00 0.28 C ATOM 196 CG ASP A 25 -2.374 5.084 12.529 1.00 0.97 C ATOM 197 OD1 ASP A 25 -2.060 4.164 13.312 1.00 1.66 O ATOM 198 OD2 ASP A 25 -3.505 5.612 12.528 1.00 1.67 O ATOM 0 H ASP A 25 0.273 6.062 9.748 1.00 0.22 H new ATOM 0 HA ASP A 25 -0.808 3.669 10.737 1.00 0.23 H new ATOM 0 HB2 ASP A 25 -0.386 5.718 12.064 1.00 0.28 H new ATOM 0 HB3 ASP A 25 -1.637 6.566 11.177 1.00 0.28 H new ATOM 203 N GLN A 26 -2.810 5.442 8.819 1.00 0.23 N ATOM 204 CA GLN A 26 -4.019 5.413 8.005 1.00 0.25 C ATOM 205 C GLN A 26 -3.904 4.344 6.932 1.00 0.25 C ATOM 206 O GLN A 26 -4.788 3.501 6.771 1.00 0.26 O ATOM 207 CB GLN A 26 -4.200 6.763 7.327 1.00 0.26 C ATOM 208 CG GLN A 26 -4.032 7.935 8.266 1.00 0.29 C ATOM 209 CD GLN A 26 -5.242 8.167 9.146 1.00 0.31 C ATOM 210 OE1 GLN A 26 -5.346 7.616 10.237 1.00 0.59 O ATOM 211 NE2 GLN A 26 -6.163 8.992 8.681 1.00 0.21 N ATOM 0 H GLN A 26 -2.263 6.297 8.715 1.00 0.23 H new ATOM 0 HA GLN A 26 -4.871 5.193 8.648 1.00 0.25 H new ATOM 0 HB2 GLN A 26 -3.479 6.852 6.514 1.00 0.26 H new ATOM 0 HB3 GLN A 26 -5.193 6.806 6.879 1.00 0.26 H new ATOM 0 HG2 GLN A 26 -3.159 7.766 8.896 1.00 0.29 H new ATOM 0 HG3 GLN A 26 -3.836 8.835 7.683 1.00 0.29 H new ATOM 0 HE21 GLN A 26 -6.040 9.431 7.769 1.00 0.21 H new ATOM 0 HE22 GLN A 26 -6.997 9.190 9.234 1.00 0.21 H new ATOM 220 N LEU A 27 -2.799 4.406 6.193 1.00 0.24 N ATOM 221 CA LEU A 27 -2.513 3.441 5.130 1.00 0.25 C ATOM 222 C LEU A 27 -2.590 2.004 5.655 1.00 0.23 C ATOM 223 O LEU A 27 -3.136 1.123 4.992 1.00 0.25 O ATOM 224 CB LEU A 27 -1.130 3.715 4.506 1.00 0.28 C ATOM 225 CG LEU A 27 -1.127 4.282 3.082 1.00 0.15 C ATOM 226 CD1 LEU A 27 -2.490 4.157 2.414 1.00 0.17 C ATOM 227 CD2 LEU A 27 -0.664 5.721 3.085 1.00 0.23 C ATOM 0 H LEU A 27 -2.080 5.120 6.311 1.00 0.24 H new ATOM 0 HA LEU A 27 -3.272 3.559 4.356 1.00 0.25 H new ATOM 0 HB2 LEU A 27 -0.595 4.411 5.152 1.00 0.28 H new ATOM 0 HB3 LEU A 27 -0.565 2.783 4.504 1.00 0.28 H new ATOM 0 HG LEU A 27 -0.425 3.688 2.497 1.00 0.15 H new ATOM 0 HD11 LEU A 27 -2.441 4.571 1.407 1.00 0.17 H new ATOM 0 HD12 LEU A 27 -2.774 3.106 2.360 1.00 0.17 H new ATOM 0 HD13 LEU A 27 -3.232 4.704 2.996 1.00 0.17 H new ATOM 0 HD21 LEU A 27 -0.668 6.107 2.066 1.00 0.23 H new ATOM 0 HD22 LEU A 27 -1.336 6.318 3.702 1.00 0.23 H new ATOM 0 HD23 LEU A 27 0.346 5.777 3.490 1.00 0.23 H new ATOM 239 N CYS A 28 -2.060 1.783 6.851 1.00 0.21 N ATOM 240 CA CYS A 28 -2.116 0.471 7.490 1.00 0.22 C ATOM 241 C CYS A 28 -3.553 0.098 7.837 1.00 0.21 C ATOM 242 O CYS A 28 -3.984 -1.037 7.616 1.00 0.22 O ATOM 243 CB CYS A 28 -1.261 0.462 8.762 1.00 0.26 C ATOM 244 SG CYS A 28 -1.170 -1.158 9.592 1.00 0.32 S ATOM 0 H CYS A 28 -1.584 2.498 7.402 1.00 0.21 H new ATOM 0 HA CYS A 28 -1.723 -0.264 6.787 1.00 0.22 H new ATOM 0 HB2 CYS A 28 -0.251 0.785 8.509 1.00 0.26 H new ATOM 0 HB3 CYS A 28 -1.664 1.194 9.462 1.00 0.26 H new ATOM 249 N ALA A 29 -4.293 1.071 8.359 1.00 0.21 N ATOM 250 CA ALA A 29 -5.655 0.845 8.819 1.00 0.22 C ATOM 251 C ALA A 29 -6.570 0.431 7.678 1.00 0.17 C ATOM 252 O ALA A 29 -7.464 -0.398 7.866 1.00 0.18 O ATOM 253 CB ALA A 29 -6.198 2.093 9.496 1.00 0.24 C ATOM 0 H ALA A 29 -3.967 2.031 8.474 1.00 0.21 H new ATOM 0 HA ALA A 29 -5.628 0.028 9.540 1.00 0.22 H new ATOM 0 HB1 ALA A 29 -7.218 1.909 9.835 1.00 0.24 H new ATOM 0 HB2 ALA A 29 -5.571 2.345 10.352 1.00 0.24 H new ATOM 0 HB3 ALA A 29 -6.195 2.922 8.788 1.00 0.24 H new ATOM 259 N PHE A 30 -6.337 0.994 6.491 1.00 0.13 N ATOM 260 CA PHE A 30 -7.195 0.722 5.345 1.00 0.10 C ATOM 261 C PHE A 30 -7.278 -0.779 5.077 1.00 0.09 C ATOM 262 O PHE A 30 -8.356 -1.359 5.173 1.00 0.09 O ATOM 263 CB PHE A 30 -6.673 1.491 4.104 1.00 0.10 C ATOM 264 CG PHE A 30 -7.138 0.975 2.754 1.00 0.07 C ATOM 265 CD1 PHE A 30 -8.340 0.299 2.609 1.00 1.16 C ATOM 266 CD2 PHE A 30 -6.350 1.154 1.625 1.00 1.18 C ATOM 267 CE1 PHE A 30 -8.740 -0.188 1.381 1.00 1.15 C ATOM 268 CE2 PHE A 30 -6.752 0.667 0.396 1.00 1.18 C ATOM 269 CZ PHE A 30 -7.945 -0.004 0.277 1.00 0.06 C ATOM 0 H PHE A 30 -5.567 1.636 6.302 1.00 0.13 H new ATOM 0 HA PHE A 30 -8.204 1.070 5.565 1.00 0.10 H new ATOM 0 HB2 PHE A 30 -6.975 2.534 4.195 1.00 0.10 H new ATOM 0 HB3 PHE A 30 -5.583 1.472 4.122 1.00 0.10 H new ATOM 0 HD1 PHE A 30 -8.974 0.151 3.471 1.00 1.16 H new ATOM 0 HD2 PHE A 30 -5.411 1.681 1.708 1.00 1.18 H new ATOM 0 HE1 PHE A 30 -9.679 -0.714 1.289 1.00 1.15 H new ATOM 0 HE2 PHE A 30 -6.127 0.814 -0.473 1.00 1.18 H new ATOM 0 HZ PHE A 30 -8.257 -0.386 -0.684 1.00 0.06 H new ATOM 279 N PHE A 31 -6.145 -1.428 4.844 1.00 0.10 N ATOM 280 CA PHE A 31 -6.167 -2.836 4.466 1.00 0.10 C ATOM 281 C PHE A 31 -6.438 -3.716 5.674 1.00 0.11 C ATOM 282 O PHE A 31 -6.814 -4.870 5.530 1.00 0.12 O ATOM 283 CB PHE A 31 -4.872 -3.282 3.797 1.00 0.11 C ATOM 284 CG PHE A 31 -4.410 -2.394 2.675 1.00 0.11 C ATOM 285 CD1 PHE A 31 -3.617 -1.285 2.925 1.00 0.94 C ATOM 286 CD2 PHE A 31 -4.761 -2.679 1.366 1.00 0.98 C ATOM 287 CE1 PHE A 31 -3.186 -0.477 1.889 1.00 0.94 C ATOM 288 CE2 PHE A 31 -4.332 -1.877 0.326 1.00 0.98 C ATOM 289 CZ PHE A 31 -3.543 -0.773 0.587 1.00 0.12 C ATOM 0 H PHE A 31 -5.216 -1.013 4.908 1.00 0.10 H new ATOM 0 HA PHE A 31 -6.974 -2.946 3.742 1.00 0.10 H new ATOM 0 HB2 PHE A 31 -4.087 -3.331 4.551 1.00 0.11 H new ATOM 0 HB3 PHE A 31 -5.007 -4.293 3.411 1.00 0.11 H new ATOM 0 HD1 PHE A 31 -3.333 -1.049 3.940 1.00 0.94 H new ATOM 0 HD2 PHE A 31 -5.378 -3.540 1.155 1.00 0.98 H new ATOM 0 HE1 PHE A 31 -2.570 0.386 2.097 1.00 0.94 H new ATOM 0 HE2 PHE A 31 -4.613 -2.113 -0.690 1.00 0.98 H new ATOM 0 HZ PHE A 31 -3.206 -0.144 -0.224 1.00 0.12 H new ATOM 299 N HIS A 32 -6.219 -3.174 6.861 1.00 0.11 N ATOM 300 CA HIS A 32 -6.424 -3.928 8.095 1.00 0.12 C ATOM 301 C HIS A 32 -7.877 -4.386 8.194 1.00 0.12 C ATOM 302 O HIS A 32 -8.161 -5.524 8.565 1.00 0.15 O ATOM 303 CB HIS A 32 -6.049 -3.078 9.313 1.00 0.15 C ATOM 304 CG HIS A 32 -6.084 -3.832 10.608 1.00 0.23 C ATOM 305 ND1 HIS A 32 -7.029 -3.611 11.584 1.00 1.09 N ATOM 306 CD2 HIS A 32 -5.275 -4.805 11.088 1.00 1.05 C ATOM 307 CE1 HIS A 32 -6.802 -4.413 12.605 1.00 0.81 C ATOM 308 NE2 HIS A 32 -5.743 -5.150 12.330 1.00 0.65 N ATOM 0 H HIS A 32 -5.899 -2.215 7.000 1.00 0.11 H new ATOM 0 HA HIS A 32 -5.779 -4.806 8.078 1.00 0.12 H new ATOM 0 HB2 HIS A 32 -5.048 -2.671 9.167 1.00 0.15 H new ATOM 0 HB3 HIS A 32 -6.732 -2.231 9.378 1.00 0.15 H new ATOM 0 HD2 HIS A 32 -4.419 -5.231 10.586 1.00 1.05 H new ATOM 0 HE1 HIS A 32 -7.385 -4.459 13.513 1.00 0.81 H new ATOM 0 HE2 HIS A 32 -5.339 -5.860 12.941 1.00 0.65 H new ATOM 317 N SER A 33 -8.784 -3.491 7.846 1.00 0.11 N ATOM 318 CA SER A 33 -10.206 -3.796 7.834 1.00 0.13 C ATOM 319 C SER A 33 -10.539 -4.638 6.615 1.00 0.12 C ATOM 320 O SER A 33 -11.343 -5.569 6.669 1.00 0.14 O ATOM 321 CB SER A 33 -11.019 -2.500 7.829 1.00 0.15 C ATOM 322 OG SER A 33 -10.775 -1.754 9.011 1.00 0.22 O ATOM 0 H SER A 33 -8.559 -2.537 7.565 1.00 0.11 H new ATOM 0 HA SER A 33 -10.461 -4.361 8.731 1.00 0.13 H new ATOM 0 HB2 SER A 33 -10.757 -1.903 6.955 1.00 0.15 H new ATOM 0 HB3 SER A 33 -12.081 -2.731 7.751 1.00 0.15 H new ATOM 0 HG SER A 33 -11.301 -0.928 8.991 1.00 0.22 H new ATOM 328 N VAL A 34 -9.888 -4.285 5.521 1.00 0.10 N ATOM 329 CA VAL A 34 -10.079 -4.942 4.238 1.00 0.11 C ATOM 330 C VAL A 34 -9.700 -6.406 4.274 1.00 0.13 C ATOM 331 O VAL A 34 -10.458 -7.263 3.859 1.00 0.15 O ATOM 332 CB VAL A 34 -9.217 -4.293 3.154 1.00 0.10 C ATOM 333 CG1 VAL A 34 -9.462 -4.955 1.838 1.00 0.13 C ATOM 334 CG2 VAL A 34 -9.481 -2.826 3.034 1.00 0.08 C ATOM 0 H VAL A 34 -9.205 -3.527 5.497 1.00 0.10 H new ATOM 0 HA VAL A 34 -11.141 -4.839 4.016 1.00 0.11 H new ATOM 0 HB VAL A 34 -8.175 -4.424 3.445 1.00 0.10 H new ATOM 0 HG11 VAL A 34 -8.843 -4.485 1.074 1.00 0.13 H new ATOM 0 HG12 VAL A 34 -9.209 -6.013 1.910 1.00 0.13 H new ATOM 0 HG13 VAL A 34 -10.513 -4.851 1.568 1.00 0.13 H new ATOM 0 HG21 VAL A 34 -8.848 -2.405 2.253 1.00 0.08 H new ATOM 0 HG22 VAL A 34 -10.528 -2.664 2.779 1.00 0.08 H new ATOM 0 HG23 VAL A 34 -9.260 -2.338 3.983 1.00 0.08 H new ATOM 344 N HIS A 35 -8.505 -6.680 4.729 1.00 0.14 N ATOM 345 CA HIS A 35 -7.966 -8.028 4.655 1.00 0.17 C ATOM 346 C HIS A 35 -8.732 -8.963 5.583 1.00 0.18 C ATOM 347 O HIS A 35 -8.833 -10.164 5.334 1.00 0.21 O ATOM 348 CB HIS A 35 -6.470 -8.019 4.958 1.00 0.20 C ATOM 349 CG HIS A 35 -5.740 -9.216 4.431 1.00 0.36 C ATOM 350 ND1 HIS A 35 -4.981 -9.184 3.277 1.00 1.40 N ATOM 351 CD2 HIS A 35 -5.658 -10.484 4.896 1.00 0.85 C ATOM 352 CE1 HIS A 35 -4.470 -10.381 3.060 1.00 1.25 C ATOM 353 NE2 HIS A 35 -4.865 -11.184 4.026 1.00 0.55 N ATOM 0 H HIS A 35 -7.882 -5.994 5.155 1.00 0.14 H new ATOM 0 HA HIS A 35 -8.092 -8.406 3.640 1.00 0.17 H new ATOM 0 HB2 HIS A 35 -6.028 -7.118 4.532 1.00 0.20 H new ATOM 0 HB3 HIS A 35 -6.328 -7.964 6.037 1.00 0.20 H new ATOM 0 HD2 HIS A 35 -6.130 -10.872 5.787 1.00 0.85 H new ATOM 0 HE1 HIS A 35 -3.835 -10.656 2.231 1.00 1.25 H new ATOM 0 HE2 HIS A 35 -4.619 -12.170 4.113 1.00 0.55 H new ATOM 362 N ASP A 36 -9.265 -8.392 6.652 1.00 0.17 N ATOM 363 CA ASP A 36 -10.139 -9.115 7.568 1.00 0.18 C ATOM 364 C ASP A 36 -11.428 -9.546 6.863 1.00 0.19 C ATOM 365 O ASP A 36 -12.046 -10.548 7.225 1.00 0.21 O ATOM 366 CB ASP A 36 -10.460 -8.236 8.779 1.00 0.20 C ATOM 367 CG ASP A 36 -11.408 -8.897 9.758 1.00 0.65 C ATOM 368 OD1 ASP A 36 -10.933 -9.637 10.646 1.00 1.51 O ATOM 369 OD2 ASP A 36 -12.631 -8.662 9.660 1.00 1.26 O ATOM 0 H ASP A 36 -9.106 -7.418 6.910 1.00 0.17 H new ATOM 0 HA ASP A 36 -9.624 -10.014 7.907 1.00 0.18 H new ATOM 0 HB2 ASP A 36 -9.533 -7.984 9.294 1.00 0.20 H new ATOM 0 HB3 ASP A 36 -10.898 -7.299 8.435 1.00 0.20 H new ATOM 374 N ASP A 37 -11.798 -8.802 5.829 1.00 0.19 N ATOM 375 CA ASP A 37 -13.070 -8.997 5.131 1.00 0.24 C ATOM 376 C ASP A 37 -13.041 -8.247 3.806 1.00 0.23 C ATOM 377 O ASP A 37 -13.409 -7.078 3.730 1.00 0.25 O ATOM 378 CB ASP A 37 -14.244 -8.508 5.984 1.00 0.31 C ATOM 379 CG ASP A 37 -15.579 -8.645 5.273 1.00 0.53 C ATOM 380 OD1 ASP A 37 -16.151 -9.754 5.278 1.00 1.18 O ATOM 381 OD2 ASP A 37 -16.070 -7.643 4.714 1.00 1.28 O ATOM 0 H ASP A 37 -11.229 -8.046 5.448 1.00 0.19 H new ATOM 0 HA ASP A 37 -13.207 -10.063 4.946 1.00 0.24 H new ATOM 0 HB2 ASP A 37 -14.273 -9.074 6.915 1.00 0.31 H new ATOM 0 HB3 ASP A 37 -14.084 -7.463 6.251 1.00 0.31 H new ATOM 386 N PRO A 38 -12.567 -8.901 2.743 1.00 0.23 N ATOM 387 CA PRO A 38 -12.323 -8.255 1.443 1.00 0.25 C ATOM 388 C PRO A 38 -13.597 -7.794 0.738 1.00 0.29 C ATOM 389 O PRO A 38 -13.539 -7.274 -0.377 1.00 0.34 O ATOM 390 CB PRO A 38 -11.620 -9.350 0.628 1.00 0.28 C ATOM 391 CG PRO A 38 -11.152 -10.335 1.645 1.00 0.28 C ATOM 392 CD PRO A 38 -12.194 -10.319 2.715 1.00 0.26 C ATOM 0 HA PRO A 38 -11.740 -7.341 1.560 1.00 0.25 H new ATOM 0 HB2 PRO A 38 -12.302 -9.812 -0.086 1.00 0.28 H new ATOM 0 HB3 PRO A 38 -10.786 -8.944 0.056 1.00 0.28 H new ATOM 0 HG2 PRO A 38 -11.048 -11.330 1.211 1.00 0.28 H new ATOM 0 HG3 PRO A 38 -10.176 -10.057 2.042 1.00 0.28 H new ATOM 0 HD2 PRO A 38 -13.041 -10.961 2.472 1.00 0.26 H new ATOM 0 HD3 PRO A 38 -11.802 -10.658 3.674 1.00 0.26 H new ATOM 400 N SER A 39 -14.740 -7.978 1.379 1.00 0.28 N ATOM 401 CA SER A 39 -15.999 -7.512 0.827 1.00 0.33 C ATOM 402 C SER A 39 -16.110 -5.992 0.978 1.00 0.36 C ATOM 403 O SER A 39 -16.562 -5.297 0.069 1.00 0.59 O ATOM 404 CB SER A 39 -17.172 -8.211 1.523 1.00 0.34 C ATOM 405 OG SER A 39 -18.409 -7.887 0.908 1.00 1.19 O ATOM 0 H SER A 39 -14.821 -8.447 2.281 1.00 0.28 H new ATOM 0 HA SER A 39 -16.033 -7.757 -0.235 1.00 0.33 H new ATOM 0 HB2 SER A 39 -17.022 -9.290 1.495 1.00 0.34 H new ATOM 0 HB3 SER A 39 -17.199 -7.920 2.573 1.00 0.34 H new ATOM 0 HG SER A 39 -19.137 -8.349 1.374 1.00 1.19 H new ATOM 411 N GLN A 40 -15.650 -5.476 2.115 1.00 0.22 N ATOM 412 CA GLN A 40 -15.760 -4.051 2.416 1.00 0.21 C ATOM 413 C GLN A 40 -14.628 -3.254 1.783 1.00 0.16 C ATOM 414 O GLN A 40 -14.604 -2.036 1.855 1.00 0.16 O ATOM 415 CB GLN A 40 -15.773 -3.831 3.920 1.00 0.23 C ATOM 416 CG GLN A 40 -14.778 -4.702 4.644 1.00 0.21 C ATOM 417 CD GLN A 40 -14.834 -4.531 6.125 1.00 0.67 C ATOM 418 OE1 GLN A 40 -14.235 -3.634 6.718 1.00 1.09 O ATOM 419 NE2 GLN A 40 -15.515 -5.451 6.709 1.00 0.97 N ATOM 0 H GLN A 40 -15.196 -6.025 2.845 1.00 0.22 H new ATOM 0 HA GLN A 40 -16.698 -3.695 1.990 1.00 0.21 H new ATOM 0 HB2 GLN A 40 -15.555 -2.784 4.132 1.00 0.23 H new ATOM 0 HB3 GLN A 40 -16.773 -4.032 4.304 1.00 0.23 H new ATOM 0 HG2 GLN A 40 -14.967 -5.746 4.396 1.00 0.21 H new ATOM 0 HG3 GLN A 40 -13.773 -4.468 4.293 1.00 0.21 H new ATOM 0 HE21 GLN A 40 -15.987 -6.165 6.155 1.00 0.97 H new ATOM 0 HE22 GLN A 40 -15.583 -5.467 7.727 1.00 0.97 H new ATOM 428 N SER A 41 -13.703 -3.971 1.174 1.00 0.15 N ATOM 429 CA SER A 41 -12.558 -3.416 0.479 1.00 0.13 C ATOM 430 C SER A 41 -12.909 -2.180 -0.349 1.00 0.11 C ATOM 431 O SER A 41 -12.285 -1.143 -0.190 1.00 0.11 O ATOM 432 CB SER A 41 -11.974 -4.500 -0.418 1.00 0.18 C ATOM 433 OG SER A 41 -12.920 -4.932 -1.381 1.00 0.82 O ATOM 0 H SER A 41 -13.729 -4.990 1.149 1.00 0.15 H new ATOM 0 HA SER A 41 -11.831 -3.090 1.223 1.00 0.13 H new ATOM 0 HB2 SER A 41 -11.086 -4.119 -0.922 1.00 0.18 H new ATOM 0 HB3 SER A 41 -11.657 -5.347 0.190 1.00 0.18 H new ATOM 0 HG SER A 41 -13.346 -5.759 -1.073 1.00 0.82 H new ATOM 439 N ALA A 42 -13.908 -2.297 -1.219 1.00 0.13 N ATOM 440 CA ALA A 42 -14.330 -1.181 -2.068 1.00 0.13 C ATOM 441 C ALA A 42 -14.743 0.026 -1.229 1.00 0.12 C ATOM 442 O ALA A 42 -14.448 1.168 -1.570 1.00 0.12 O ATOM 443 CB ALA A 42 -15.476 -1.613 -2.963 1.00 0.18 C ATOM 0 H ALA A 42 -14.443 -3.154 -1.357 1.00 0.13 H new ATOM 0 HA ALA A 42 -13.483 -0.887 -2.687 1.00 0.13 H new ATOM 0 HB1 ALA A 42 -15.783 -0.776 -3.591 1.00 0.18 H new ATOM 0 HB2 ALA A 42 -15.153 -2.441 -3.594 1.00 0.18 H new ATOM 0 HB3 ALA A 42 -16.317 -1.933 -2.348 1.00 0.18 H new ATOM 449 N ASN A 43 -15.408 -0.254 -0.123 1.00 0.12 N ATOM 450 CA ASN A 43 -15.854 0.776 0.812 1.00 0.13 C ATOM 451 C ASN A 43 -14.656 1.381 1.504 1.00 0.10 C ATOM 452 O ASN A 43 -14.568 2.584 1.724 1.00 0.11 O ATOM 453 CB ASN A 43 -16.752 0.168 1.889 1.00 0.16 C ATOM 454 CG ASN A 43 -17.973 -0.519 1.328 1.00 0.18 C ATOM 455 OD1 ASN A 43 -19.006 0.106 1.092 1.00 0.20 O ATOM 456 ND2 ASN A 43 -17.866 -1.817 1.128 1.00 0.20 N ATOM 0 H ASN A 43 -15.657 -1.203 0.157 1.00 0.12 H new ATOM 0 HA ASN A 43 -16.404 1.531 0.250 1.00 0.13 H new ATOM 0 HB2 ASN A 43 -16.175 -0.550 2.471 1.00 0.16 H new ATOM 0 HB3 ASN A 43 -17.068 0.954 2.575 1.00 0.16 H new ATOM 0 HD21 ASN A 43 -18.660 -2.344 0.763 1.00 0.20 H new ATOM 0 HD22 ASN A 43 -16.990 -2.295 1.338 1.00 0.20 H new ATOM 463 N LEU A 44 -13.740 0.504 1.838 1.00 0.09 N ATOM 464 CA LEU A 44 -12.585 0.846 2.626 1.00 0.08 C ATOM 465 C LEU A 44 -11.645 1.702 1.804 1.00 0.07 C ATOM 466 O LEU A 44 -11.151 2.741 2.236 1.00 0.08 O ATOM 467 CB LEU A 44 -11.896 -0.438 3.077 1.00 0.08 C ATOM 468 CG LEU A 44 -12.258 -0.935 4.474 1.00 0.10 C ATOM 469 CD1 LEU A 44 -13.473 -0.217 5.037 1.00 0.12 C ATOM 470 CD2 LEU A 44 -12.509 -2.421 4.413 1.00 0.12 C ATOM 0 H LEU A 44 -13.778 -0.478 1.566 1.00 0.09 H new ATOM 0 HA LEU A 44 -12.884 1.415 3.506 1.00 0.08 H new ATOM 0 HB2 LEU A 44 -12.132 -1.225 2.360 1.00 0.08 H new ATOM 0 HB3 LEU A 44 -10.818 -0.282 3.036 1.00 0.08 H new ATOM 0 HG LEU A 44 -11.425 -0.721 5.143 1.00 0.10 H new ATOM 0 HD11 LEU A 44 -13.695 -0.602 6.032 1.00 0.12 H new ATOM 0 HD12 LEU A 44 -13.268 0.852 5.099 1.00 0.12 H new ATOM 0 HD13 LEU A 44 -14.330 -0.385 4.384 1.00 0.12 H new ATOM 0 HD21 LEU A 44 -12.769 -2.787 5.406 1.00 0.12 H new ATOM 0 HD22 LEU A 44 -13.330 -2.623 3.725 1.00 0.12 H new ATOM 0 HD23 LEU A 44 -11.610 -2.928 4.063 1.00 0.12 H new ATOM 482 N LEU A 45 -11.429 1.214 0.605 1.00 0.07 N ATOM 483 CA LEU A 45 -10.674 1.883 -0.432 1.00 0.07 C ATOM 484 C LEU A 45 -11.285 3.266 -0.666 1.00 0.07 C ATOM 485 O LEU A 45 -10.581 4.262 -0.761 1.00 0.08 O ATOM 486 CB LEU A 45 -10.807 0.981 -1.654 1.00 0.07 C ATOM 487 CG LEU A 45 -9.937 1.240 -2.885 1.00 0.08 C ATOM 488 CD1 LEU A 45 -10.813 1.155 -4.107 1.00 0.08 C ATOM 489 CD2 LEU A 45 -9.175 2.559 -2.831 1.00 0.08 C ATOM 0 H LEU A 45 -11.788 0.305 0.313 1.00 0.07 H new ATOM 0 HA LEU A 45 -9.624 2.039 -0.185 1.00 0.07 H new ATOM 0 HB2 LEU A 45 -10.613 -0.041 -1.327 1.00 0.07 H new ATOM 0 HB3 LEU A 45 -11.847 1.021 -1.976 1.00 0.07 H new ATOM 0 HG LEU A 45 -9.160 0.476 -2.919 1.00 0.08 H new ATOM 0 HD11 LEU A 45 -10.213 1.337 -4.998 1.00 0.08 H new ATOM 0 HD12 LEU A 45 -11.259 0.162 -4.166 1.00 0.08 H new ATOM 0 HD13 LEU A 45 -11.602 1.904 -4.042 1.00 0.08 H new ATOM 0 HD21 LEU A 45 -8.580 2.673 -3.737 1.00 0.08 H new ATOM 0 HD22 LEU A 45 -9.882 3.385 -2.755 1.00 0.08 H new ATOM 0 HD23 LEU A 45 -8.517 2.564 -1.962 1.00 0.08 H new ATOM 501 N ALA A 46 -12.608 3.302 -0.734 1.00 0.08 N ATOM 502 CA ALA A 46 -13.360 4.543 -0.846 1.00 0.09 C ATOM 503 C ALA A 46 -13.011 5.531 0.258 1.00 0.09 C ATOM 504 O ALA A 46 -12.734 6.682 -0.021 1.00 0.11 O ATOM 505 CB ALA A 46 -14.832 4.228 -0.796 1.00 0.10 C ATOM 0 H ALA A 46 -13.193 2.467 -0.713 1.00 0.08 H new ATOM 0 HA ALA A 46 -13.097 5.012 -1.794 1.00 0.09 H new ATOM 0 HB1 ALA A 46 -15.405 5.152 -0.879 1.00 0.10 H new ATOM 0 HB2 ALA A 46 -15.090 3.565 -1.622 1.00 0.10 H new ATOM 0 HB3 ALA A 46 -15.068 3.739 0.149 1.00 0.10 H new ATOM 511 N GLU A 47 -13.024 5.075 1.503 1.00 0.09 N ATOM 512 CA GLU A 47 -12.715 5.908 2.642 1.00 0.10 C ATOM 513 C GLU A 47 -11.250 6.283 2.621 1.00 0.09 C ATOM 514 O GLU A 47 -10.866 7.313 3.149 1.00 0.09 O ATOM 515 CB GLU A 47 -13.082 5.196 3.940 1.00 0.11 C ATOM 516 CG GLU A 47 -14.533 4.751 3.971 1.00 0.16 C ATOM 517 CD GLU A 47 -15.133 4.801 5.355 1.00 0.31 C ATOM 518 OE1 GLU A 47 -15.611 5.884 5.753 1.00 1.13 O ATOM 519 OE2 GLU A 47 -15.142 3.764 6.048 1.00 1.19 O ATOM 0 H GLU A 47 -13.251 4.111 1.746 1.00 0.09 H new ATOM 0 HA GLU A 47 -13.306 6.822 2.586 1.00 0.10 H new ATOM 0 HB2 GLU A 47 -12.436 4.327 4.069 1.00 0.11 H new ATOM 0 HB3 GLU A 47 -12.892 5.862 4.782 1.00 0.11 H new ATOM 0 HG2 GLU A 47 -15.117 5.386 3.304 1.00 0.16 H new ATOM 0 HG3 GLU A 47 -14.604 3.734 3.586 1.00 0.16 H new ATOM 526 N ALA A 48 -10.442 5.434 2.006 1.00 0.08 N ATOM 527 CA ALA A 48 -9.045 5.743 1.757 1.00 0.08 C ATOM 528 C ALA A 48 -8.938 6.875 0.737 1.00 0.08 C ATOM 529 O ALA A 48 -8.172 7.820 0.917 1.00 0.08 O ATOM 530 CB ALA A 48 -8.323 4.501 1.261 1.00 0.08 C ATOM 0 H ALA A 48 -10.735 4.517 1.668 1.00 0.08 H new ATOM 0 HA ALA A 48 -8.575 6.069 2.685 1.00 0.08 H new ATOM 0 HB1 ALA A 48 -7.275 4.739 1.076 1.00 0.08 H new ATOM 0 HB2 ALA A 48 -8.389 3.716 2.015 1.00 0.08 H new ATOM 0 HB3 ALA A 48 -8.786 4.156 0.336 1.00 0.08 H new ATOM 536 N LYS A 49 -9.756 6.784 -0.307 1.00 0.08 N ATOM 537 CA LYS A 49 -9.802 7.783 -1.375 1.00 0.09 C ATOM 538 C LYS A 49 -10.339 9.073 -0.798 1.00 0.10 C ATOM 539 O LYS A 49 -9.794 10.159 -0.975 1.00 0.13 O ATOM 540 CB LYS A 49 -10.754 7.310 -2.477 1.00 0.09 C ATOM 541 CG LYS A 49 -10.317 6.063 -3.215 1.00 0.09 C ATOM 542 CD LYS A 49 -11.538 5.266 -3.646 1.00 0.09 C ATOM 543 CE LYS A 49 -11.313 4.545 -4.951 1.00 0.10 C ATOM 544 NZ LYS A 49 -12.585 4.036 -5.527 1.00 0.71 N ATOM 0 H LYS A 49 -10.410 6.012 -0.439 1.00 0.08 H new ATOM 0 HA LYS A 49 -8.804 7.929 -1.789 1.00 0.09 H new ATOM 0 HB2 LYS A 49 -11.733 7.127 -2.035 1.00 0.09 H new ATOM 0 HB3 LYS A 49 -10.877 8.116 -3.200 1.00 0.09 H new ATOM 0 HG2 LYS A 49 -9.722 6.335 -4.087 1.00 0.09 H new ATOM 0 HG3 LYS A 49 -9.681 5.453 -2.573 1.00 0.09 H new ATOM 0 HD2 LYS A 49 -11.790 4.542 -2.871 1.00 0.09 H new ATOM 0 HD3 LYS A 49 -12.392 5.937 -3.745 1.00 0.09 H new ATOM 0 HE2 LYS A 49 -10.837 5.220 -5.662 1.00 0.10 H new ATOM 0 HE3 LYS A 49 -10.627 3.713 -4.793 1.00 0.10 H new ATOM 0 HZ1 LYS A 49 -12.389 3.547 -6.423 1.00 0.71 H new ATOM 0 HZ2 LYS A 49 -13.027 3.372 -4.860 1.00 0.71 H new ATOM 0 HZ3 LYS A 49 -13.230 4.833 -5.702 1.00 0.71 H new ATOM 558 N LYS A 50 -11.422 8.884 -0.087 1.00 0.11 N ATOM 559 CA LYS A 50 -12.129 9.910 0.629 1.00 0.12 C ATOM 560 C LYS A 50 -11.229 10.573 1.653 1.00 0.12 C ATOM 561 O LYS A 50 -11.293 11.775 1.851 1.00 0.15 O ATOM 562 CB LYS A 50 -13.326 9.238 1.289 1.00 0.14 C ATOM 563 CG LYS A 50 -13.721 9.845 2.616 1.00 0.17 C ATOM 564 CD LYS A 50 -14.774 9.009 3.330 1.00 0.27 C ATOM 565 CE LYS A 50 -14.755 9.263 4.825 1.00 1.06 C ATOM 566 NZ LYS A 50 -15.828 8.517 5.532 1.00 1.19 N ATOM 0 H LYS A 50 -11.854 7.965 0.011 1.00 0.11 H new ATOM 0 HA LYS A 50 -12.459 10.701 -0.044 1.00 0.12 H new ATOM 0 HB2 LYS A 50 -14.178 9.289 0.610 1.00 0.14 H new ATOM 0 HB3 LYS A 50 -13.100 8.182 1.438 1.00 0.14 H new ATOM 0 HG2 LYS A 50 -12.839 9.937 3.250 1.00 0.17 H new ATOM 0 HG3 LYS A 50 -14.105 10.852 2.455 1.00 0.17 H new ATOM 0 HD2 LYS A 50 -15.761 9.244 2.931 1.00 0.27 H new ATOM 0 HD3 LYS A 50 -14.595 7.951 3.136 1.00 0.27 H new ATOM 0 HE2 LYS A 50 -13.785 8.973 5.229 1.00 1.06 H new ATOM 0 HE3 LYS A 50 -14.872 10.330 5.013 1.00 1.06 H new ATOM 0 HZ1 LYS A 50 -15.981 8.936 6.472 1.00 1.19 H new ATOM 0 HZ2 LYS A 50 -16.709 8.571 4.982 1.00 1.19 H new ATOM 0 HZ3 LYS A 50 -15.546 7.522 5.638 1.00 1.19 H new ATOM 580 N LEU A 51 -10.399 9.774 2.295 1.00 0.11 N ATOM 581 CA LEU A 51 -9.431 10.271 3.260 1.00 0.12 C ATOM 582 C LEU A 51 -8.367 11.076 2.573 1.00 0.12 C ATOM 583 O LEU A 51 -8.033 12.186 2.981 1.00 0.13 O ATOM 584 CB LEU A 51 -8.767 9.115 3.956 1.00 0.11 C ATOM 585 CG LEU A 51 -8.004 9.474 5.211 1.00 0.12 C ATOM 586 CD1 LEU A 51 -8.882 10.281 6.145 1.00 0.15 C ATOM 587 CD2 LEU A 51 -7.505 8.202 5.862 1.00 0.12 C ATOM 0 H LEU A 51 -10.375 8.763 2.164 1.00 0.11 H new ATOM 0 HA LEU A 51 -9.960 10.897 3.978 1.00 0.12 H new ATOM 0 HB2 LEU A 51 -9.529 8.378 4.211 1.00 0.11 H new ATOM 0 HB3 LEU A 51 -8.081 8.636 3.257 1.00 0.11 H new ATOM 0 HG LEU A 51 -7.143 10.096 4.964 1.00 0.12 H new ATOM 0 HD11 LEU A 51 -8.321 10.533 7.045 1.00 0.15 H new ATOM 0 HD12 LEU A 51 -9.198 11.197 5.646 1.00 0.15 H new ATOM 0 HD13 LEU A 51 -9.759 9.694 6.417 1.00 0.15 H new ATOM 0 HD21 LEU A 51 -6.953 8.450 6.769 1.00 0.12 H new ATOM 0 HD22 LEU A 51 -8.353 7.566 6.116 1.00 0.12 H new ATOM 0 HD23 LEU A 51 -6.849 7.673 5.171 1.00 0.12 H new ATOM 599 N ASN A 52 -7.831 10.473 1.536 1.00 0.11 N ATOM 600 CA ASN A 52 -6.852 11.117 0.672 1.00 0.11 C ATOM 601 C ASN A 52 -7.363 12.477 0.258 1.00 0.13 C ATOM 602 O ASN A 52 -6.618 13.434 0.196 1.00 0.15 O ATOM 603 CB ASN A 52 -6.603 10.242 -0.555 1.00 0.12 C ATOM 604 CG ASN A 52 -6.000 10.979 -1.727 1.00 0.16 C ATOM 605 OD1 ASN A 52 -6.709 11.496 -2.589 1.00 0.20 O ATOM 606 ND2 ASN A 52 -4.690 11.045 -1.767 1.00 0.19 N ATOM 0 H ASN A 52 -8.059 9.517 1.262 1.00 0.11 H new ATOM 0 HA ASN A 52 -5.912 11.244 1.209 1.00 0.11 H new ATOM 0 HB2 ASN A 52 -5.941 9.423 -0.275 1.00 0.12 H new ATOM 0 HB3 ASN A 52 -7.547 9.796 -0.867 1.00 0.12 H new ATOM 0 HD21 ASN A 52 -4.227 11.537 -2.531 1.00 0.19 H new ATOM 0 HD22 ASN A 52 -4.135 10.604 -1.034 1.00 0.19 H new ATOM 613 N ASP A 53 -8.655 12.521 0.021 1.00 0.14 N ATOM 614 CA ASP A 53 -9.359 13.725 -0.391 1.00 0.17 C ATOM 615 C ASP A 53 -9.629 14.631 0.799 1.00 0.19 C ATOM 616 O ASP A 53 -9.548 15.854 0.703 1.00 0.22 O ATOM 617 CB ASP A 53 -10.681 13.344 -1.067 1.00 0.17 C ATOM 618 CG ASP A 53 -11.504 14.551 -1.465 1.00 0.71 C ATOM 619 OD1 ASP A 53 -11.300 15.075 -2.580 1.00 1.34 O ATOM 620 OD2 ASP A 53 -12.370 14.975 -0.674 1.00 1.53 O ATOM 0 H ASP A 53 -9.262 11.706 0.110 1.00 0.14 H new ATOM 0 HA ASP A 53 -8.731 14.268 -1.097 1.00 0.17 H new ATOM 0 HB2 ASP A 53 -10.472 12.744 -1.953 1.00 0.17 H new ATOM 0 HB3 ASP A 53 -11.264 12.720 -0.390 1.00 0.17 H new ATOM 625 N ALA A 54 -9.933 14.000 1.921 1.00 0.18 N ATOM 626 CA ALA A 54 -10.372 14.688 3.118 1.00 0.21 C ATOM 627 C ALA A 54 -9.273 15.550 3.671 1.00 0.24 C ATOM 628 O ALA A 54 -9.503 16.679 4.109 1.00 0.28 O ATOM 629 CB ALA A 54 -10.787 13.672 4.166 1.00 0.20 C ATOM 0 H ALA A 54 -9.881 12.987 2.025 1.00 0.18 H new ATOM 0 HA ALA A 54 -11.219 15.323 2.859 1.00 0.21 H new ATOM 0 HB1 ALA A 54 -11.117 14.191 5.066 1.00 0.20 H new ATOM 0 HB2 ALA A 54 -11.604 13.063 3.779 1.00 0.20 H new ATOM 0 HB3 ALA A 54 -9.939 13.031 4.407 1.00 0.20 H new ATOM 635 N GLN A 55 -8.075 15.009 3.663 1.00 0.22 N ATOM 636 CA GLN A 55 -6.955 15.729 4.246 1.00 0.25 C ATOM 637 C GLN A 55 -6.009 16.298 3.192 1.00 0.25 C ATOM 638 O GLN A 55 -5.324 17.281 3.471 1.00 0.28 O ATOM 639 CB GLN A 55 -6.191 14.811 5.185 1.00 0.25 C ATOM 640 CG GLN A 55 -5.872 13.465 4.566 1.00 0.20 C ATOM 641 CD GLN A 55 -4.786 12.739 5.322 1.00 0.19 C ATOM 642 OE1 GLN A 55 -3.608 12.941 5.069 1.00 0.22 O ATOM 643 NE2 GLN A 55 -5.176 11.863 6.231 1.00 0.17 N ATOM 0 H GLN A 55 -7.849 14.095 3.270 1.00 0.22 H new ATOM 0 HA GLN A 55 -7.365 16.575 4.797 1.00 0.25 H new ATOM 0 HB2 GLN A 55 -5.262 15.297 5.484 1.00 0.25 H new ATOM 0 HB3 GLN A 55 -6.777 14.658 6.092 1.00 0.25 H new ATOM 0 HG2 GLN A 55 -6.773 12.852 4.547 1.00 0.20 H new ATOM 0 HG3 GLN A 55 -5.561 13.606 3.531 1.00 0.20 H new ATOM 0 HE21 GLN A 55 -6.170 11.724 6.412 1.00 0.17 H new ATOM 0 HE22 GLN A 55 -4.483 11.325 6.752 1.00 0.17 H new ATOM 652 N ALA A 56 -6.008 15.675 1.999 1.00 0.24 N ATOM 653 CA ALA A 56 -5.170 16.047 0.839 1.00 0.25 C ATOM 654 C ALA A 56 -4.363 17.331 1.003 1.00 0.31 C ATOM 655 O ALA A 56 -4.770 18.405 0.555 1.00 0.35 O ATOM 656 CB ALA A 56 -6.016 16.121 -0.415 1.00 0.26 C ATOM 0 H ALA A 56 -6.609 14.873 1.808 1.00 0.24 H new ATOM 0 HA ALA A 56 -4.428 15.252 0.759 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -5.388 16.396 -1.262 1.00 0.26 H new ATOM 0 HB2 ALA A 56 -6.474 15.150 -0.603 1.00 0.26 H new ATOM 0 HB3 ALA A 56 -6.796 16.871 -0.284 1.00 0.26 H new ATOM 714 N GLY B 14 8.059 6.673 -11.489 1.00 0.21 N ATOM 715 CA GLY B 14 6.796 5.963 -11.333 1.00 0.21 C ATOM 716 C GLY B 14 6.860 4.495 -11.734 1.00 0.19 C ATOM 717 O GLY B 14 6.100 4.055 -12.594 1.00 0.28 O ATOM 0 HA2 GLY B 14 6.478 6.032 -10.293 1.00 0.21 H new ATOM 0 HA3 GLY B 14 6.034 6.461 -11.933 1.00 0.21 H new ATOM 721 N GLU B 15 7.754 3.730 -11.113 1.00 0.15 N ATOM 722 CA GLU B 15 7.847 2.303 -11.398 1.00 0.15 C ATOM 723 C GLU B 15 6.979 1.544 -10.410 1.00 0.14 C ATOM 724 O GLU B 15 7.337 1.411 -9.244 1.00 0.22 O ATOM 725 CB GLU B 15 9.288 1.798 -11.276 1.00 0.18 C ATOM 726 CG GLU B 15 10.344 2.805 -11.693 1.00 0.86 C ATOM 727 CD GLU B 15 11.747 2.248 -11.576 1.00 1.08 C ATOM 728 OE1 GLU B 15 12.154 1.468 -12.461 1.00 1.76 O ATOM 729 OE2 GLU B 15 12.450 2.583 -10.601 1.00 1.45 O ATOM 0 H GLU B 15 8.417 4.070 -10.417 1.00 0.15 H new ATOM 0 HA GLU B 15 7.510 2.138 -12.421 1.00 0.15 H new ATOM 0 HB2 GLU B 15 9.471 1.505 -10.242 1.00 0.18 H new ATOM 0 HB3 GLU B 15 9.398 0.901 -11.885 1.00 0.18 H new ATOM 0 HG2 GLU B 15 10.163 3.113 -12.723 1.00 0.86 H new ATOM 0 HG3 GLU B 15 10.257 3.697 -11.073 1.00 0.86 H new ATOM 736 N ILE B 16 5.846 1.045 -10.859 1.00 0.12 N ATOM 737 CA ILE B 16 4.923 0.385 -9.955 1.00 0.11 C ATOM 738 C ILE B 16 5.491 -0.927 -9.434 1.00 0.12 C ATOM 739 O ILE B 16 6.201 -1.648 -10.137 1.00 0.16 O ATOM 740 CB ILE B 16 3.556 0.120 -10.619 1.00 0.11 C ATOM 741 CG1 ILE B 16 2.691 1.382 -10.572 1.00 0.11 C ATOM 742 CG2 ILE B 16 2.854 -1.033 -9.917 1.00 0.12 C ATOM 743 CD1 ILE B 16 1.948 1.558 -9.268 1.00 0.11 C ATOM 0 H ILE B 16 5.543 1.082 -11.832 1.00 0.12 H new ATOM 0 HA ILE B 16 4.778 1.067 -9.117 1.00 0.11 H new ATOM 0 HB ILE B 16 3.715 -0.150 -11.663 1.00 0.11 H new ATOM 0 HG12 ILE B 16 3.324 2.253 -10.740 1.00 0.11 H new ATOM 0 HG13 ILE B 16 1.971 1.349 -11.389 1.00 0.11 H new ATOM 0 HG21 ILE B 16 1.889 -1.215 -10.391 1.00 0.12 H new ATOM 0 HG22 ILE B 16 3.468 -1.931 -9.989 1.00 0.12 H new ATOM 0 HG23 ILE B 16 2.701 -0.781 -8.868 1.00 0.12 H new ATOM 0 HD11 ILE B 16 1.356 2.473 -9.307 1.00 0.11 H new ATOM 0 HD12 ILE B 16 1.288 0.705 -9.107 1.00 0.11 H new ATOM 0 HD13 ILE B 16 2.663 1.623 -8.448 1.00 0.11 H new ATOM 755 N PHE B 17 5.182 -1.205 -8.180 1.00 0.11 N ATOM 756 CA PHE B 17 5.550 -2.450 -7.554 1.00 0.11 C ATOM 757 C PHE B 17 4.389 -2.952 -6.716 1.00 0.11 C ATOM 758 O PHE B 17 3.801 -2.200 -5.937 1.00 0.11 O ATOM 759 CB PHE B 17 6.819 -2.269 -6.725 1.00 0.12 C ATOM 760 CG PHE B 17 6.838 -1.031 -5.870 1.00 0.11 C ATOM 761 CD1 PHE B 17 6.233 -1.011 -4.621 1.00 1.09 C ATOM 762 CD2 PHE B 17 7.488 0.108 -6.314 1.00 1.11 C ATOM 763 CE1 PHE B 17 6.277 0.125 -3.830 1.00 1.10 C ATOM 764 CE2 PHE B 17 7.537 1.247 -5.536 1.00 1.11 C ATOM 765 CZ PHE B 17 6.933 1.258 -4.292 1.00 0.10 C ATOM 0 H PHE B 17 4.668 -0.569 -7.571 1.00 0.11 H new ATOM 0 HA PHE B 17 5.768 -3.200 -8.315 1.00 0.11 H new ATOM 0 HB2 PHE B 17 6.945 -3.140 -6.082 1.00 0.12 H new ATOM 0 HB3 PHE B 17 7.676 -2.243 -7.398 1.00 0.12 H new ATOM 0 HD1 PHE B 17 5.722 -1.892 -4.262 1.00 1.09 H new ATOM 0 HD2 PHE B 17 7.964 0.105 -7.284 1.00 1.11 H new ATOM 0 HE1 PHE B 17 5.804 0.129 -2.859 1.00 1.10 H new ATOM 0 HE2 PHE B 17 8.046 2.128 -5.898 1.00 1.11 H new ATOM 0 HZ PHE B 17 6.972 2.147 -3.680 1.00 0.10 H new ATOM 775 N TYR B 18 4.029 -4.206 -6.908 1.00 0.11 N ATOM 776 CA TYR B 18 2.853 -4.752 -6.271 1.00 0.10 C ATOM 777 C TYR B 18 3.180 -5.512 -4.997 1.00 0.09 C ATOM 778 O TYR B 18 4.080 -6.352 -4.964 1.00 0.09 O ATOM 779 CB TYR B 18 2.092 -5.642 -7.251 1.00 0.12 C ATOM 780 CG TYR B 18 1.271 -4.852 -8.228 1.00 0.09 C ATOM 781 CD1 TYR B 18 0.058 -4.381 -7.822 1.00 1.17 C ATOM 782 CD2 TYR B 18 1.687 -4.573 -9.516 1.00 1.17 C ATOM 783 CE1 TYR B 18 -0.754 -3.652 -8.627 1.00 1.20 C ATOM 784 CE2 TYR B 18 0.880 -3.831 -10.369 1.00 1.15 C ATOM 785 CZ TYR B 18 -0.347 -3.370 -9.917 1.00 0.12 C ATOM 786 OH TYR B 18 -1.158 -2.637 -10.754 1.00 0.18 O ATOM 0 H TYR B 18 4.536 -4.864 -7.500 1.00 0.11 H new ATOM 0 HA TYR B 18 2.221 -3.913 -5.981 1.00 0.10 H new ATOM 0 HB2 TYR B 18 2.801 -6.264 -7.797 1.00 0.12 H new ATOM 0 HB3 TYR B 18 1.440 -6.315 -6.694 1.00 0.12 H new ATOM 0 HD1 TYR B 18 -0.270 -4.598 -6.816 1.00 1.17 H new ATOM 0 HD2 TYR B 18 2.645 -4.934 -9.861 1.00 1.17 H new ATOM 0 HE1 TYR B 18 -1.707 -3.296 -8.264 1.00 1.20 H new ATOM 0 HE2 TYR B 18 1.206 -3.615 -11.376 1.00 1.15 H new ATOM 0 HH TYR B 18 -0.719 -2.530 -11.624 1.00 0.18 H new ATOM 796 N LEU B 19 2.423 -5.200 -3.949 1.00 0.13 N ATOM 797 CA LEU B 19 2.525 -5.892 -2.661 1.00 0.13 C ATOM 798 C LEU B 19 1.154 -6.460 -2.269 1.00 0.21 C ATOM 799 O LEU B 19 0.595 -6.110 -1.228 1.00 0.25 O ATOM 800 CB LEU B 19 3.006 -4.953 -1.536 1.00 0.12 C ATOM 801 CG LEU B 19 4.336 -4.210 -1.758 1.00 0.10 C ATOM 802 CD1 LEU B 19 5.447 -5.208 -1.997 1.00 0.08 C ATOM 803 CD2 LEU B 19 4.248 -3.199 -2.882 1.00 0.11 C ATOM 0 H LEU B 19 1.720 -4.461 -3.965 1.00 0.13 H new ATOM 0 HA LEU B 19 3.257 -6.691 -2.780 1.00 0.13 H new ATOM 0 HB2 LEU B 19 2.229 -4.209 -1.362 1.00 0.12 H new ATOM 0 HB3 LEU B 19 3.096 -5.540 -0.622 1.00 0.12 H new ATOM 0 HG LEU B 19 4.560 -3.643 -0.855 1.00 0.10 H new ATOM 0 HD11 LEU B 19 6.386 -4.677 -2.154 1.00 0.08 H new ATOM 0 HD12 LEU B 19 5.541 -5.863 -1.131 1.00 0.08 H new ATOM 0 HD13 LEU B 19 5.216 -5.805 -2.879 1.00 0.08 H new ATOM 0 HD21 LEU B 19 5.210 -2.701 -3.000 1.00 0.11 H new ATOM 0 HD22 LEU B 19 3.987 -3.708 -3.810 1.00 0.11 H new ATOM 0 HD23 LEU B 19 3.483 -2.459 -2.647 1.00 0.11 H new ATOM 815 N PRO B 20 0.601 -7.346 -3.104 1.00 0.23 N ATOM 816 CA PRO B 20 -0.726 -7.938 -2.896 1.00 0.29 C ATOM 817 C PRO B 20 -0.727 -9.017 -1.827 1.00 0.29 C ATOM 818 O PRO B 20 -1.714 -9.224 -1.124 1.00 0.33 O ATOM 819 CB PRO B 20 -1.005 -8.578 -4.250 1.00 0.33 C ATOM 820 CG PRO B 20 0.343 -8.970 -4.735 1.00 0.29 C ATOM 821 CD PRO B 20 1.217 -7.836 -4.343 1.00 0.23 C ATOM 0 HA PRO B 20 -1.457 -7.200 -2.565 1.00 0.29 H new ATOM 0 HB2 PRO B 20 -1.664 -9.441 -4.157 1.00 0.33 H new ATOM 0 HB3 PRO B 20 -1.489 -7.879 -4.932 1.00 0.33 H new ATOM 0 HG2 PRO B 20 0.674 -9.903 -4.280 1.00 0.29 H new ATOM 0 HG3 PRO B 20 0.349 -9.122 -5.814 1.00 0.29 H new ATOM 0 HD2 PRO B 20 2.245 -8.159 -4.180 1.00 0.23 H new ATOM 0 HD3 PRO B 20 1.243 -7.064 -5.112 1.00 0.23 H new ATOM 829 N ASN B 21 0.395 -9.702 -1.723 1.00 0.27 N ATOM 830 CA ASN B 21 0.502 -10.879 -0.888 1.00 0.28 C ATOM 831 C ASN B 21 0.868 -10.502 0.537 1.00 0.24 C ATOM 832 O ASN B 21 0.672 -11.284 1.469 1.00 0.28 O ATOM 833 CB ASN B 21 1.509 -11.845 -1.528 1.00 0.31 C ATOM 834 CG ASN B 21 2.481 -12.487 -0.561 1.00 0.32 C ATOM 835 OD1 ASN B 21 2.178 -13.492 0.086 1.00 0.41 O ATOM 836 ND2 ASN B 21 3.673 -11.926 -0.491 1.00 0.30 N ATOM 0 H ASN B 21 1.255 -9.458 -2.214 1.00 0.27 H new ATOM 0 HA ASN B 21 -0.461 -11.385 -0.823 1.00 0.28 H new ATOM 0 HB2 ASN B 21 0.958 -12.632 -2.043 1.00 0.31 H new ATOM 0 HB3 ASN B 21 2.077 -11.305 -2.286 1.00 0.31 H new ATOM 0 HD21 ASN B 21 4.389 -12.324 0.117 1.00 0.30 H new ATOM 0 HD22 ASN B 21 3.879 -11.095 -1.045 1.00 0.30 H new ATOM 843 N LEU B 22 1.367 -9.289 0.708 1.00 0.19 N ATOM 844 CA LEU B 22 1.643 -8.776 2.031 1.00 0.16 C ATOM 845 C LEU B 22 0.377 -8.394 2.752 1.00 0.20 C ATOM 846 O LEU B 22 -0.531 -7.786 2.187 1.00 0.26 O ATOM 847 CB LEU B 22 2.599 -7.599 1.964 1.00 0.14 C ATOM 848 CG LEU B 22 3.969 -7.996 1.452 1.00 0.13 C ATOM 849 CD1 LEU B 22 4.997 -6.915 1.670 1.00 0.12 C ATOM 850 CD2 LEU B 22 4.391 -9.278 2.118 1.00 0.14 C ATOM 0 H LEU B 22 1.587 -8.646 -0.053 1.00 0.19 H new ATOM 0 HA LEU B 22 2.119 -9.575 2.600 1.00 0.16 H new ATOM 0 HB2 LEU B 22 2.180 -6.831 1.314 1.00 0.14 H new ATOM 0 HB3 LEU B 22 2.698 -7.158 2.956 1.00 0.14 H new ATOM 0 HG LEU B 22 3.901 -8.144 0.374 1.00 0.13 H new ATOM 0 HD11 LEU B 22 5.962 -7.247 1.286 1.00 0.12 H new ATOM 0 HD12 LEU B 22 4.690 -6.010 1.145 1.00 0.12 H new ATOM 0 HD13 LEU B 22 5.083 -6.705 2.736 1.00 0.12 H new ATOM 0 HD21 LEU B 22 5.376 -9.570 1.754 1.00 0.14 H new ATOM 0 HD22 LEU B 22 4.432 -9.131 3.197 1.00 0.14 H new ATOM 0 HD23 LEU B 22 3.671 -10.063 1.885 1.00 0.14 H new ATOM 862 N ASN B 23 0.331 -8.775 4.009 1.00 0.21 N ATOM 863 CA ASN B 23 -0.790 -8.442 4.863 1.00 0.26 C ATOM 864 C ASN B 23 -0.587 -7.038 5.398 1.00 0.20 C ATOM 865 O ASN B 23 0.543 -6.547 5.377 1.00 0.15 O ATOM 866 CB ASN B 23 -0.907 -9.451 6.013 1.00 0.35 C ATOM 867 CG ASN B 23 -1.342 -10.824 5.548 1.00 0.56 C ATOM 868 OD1 ASN B 23 -2.521 -11.152 5.575 1.00 1.19 O ATOM 869 ND2 ASN B 23 -0.394 -11.634 5.105 1.00 0.55 N ATOM 0 H ASN B 23 1.062 -9.320 4.466 1.00 0.21 H new ATOM 0 HA ASN B 23 -1.717 -8.485 4.292 1.00 0.26 H new ATOM 0 HB2 ASN B 23 0.055 -9.532 6.518 1.00 0.35 H new ATOM 0 HB3 ASN B 23 -1.622 -9.078 6.746 1.00 0.35 H new ATOM 0 HD21 ASN B 23 -0.635 -12.567 4.771 1.00 0.55 H new ATOM 0 HD22 ASN B 23 0.578 -11.325 5.098 1.00 0.55 H new ATOM 876 N PRO B 24 -1.651 -6.356 5.846 1.00 0.25 N ATOM 877 CA PRO B 24 -1.555 -4.994 6.373 1.00 0.22 C ATOM 878 C PRO B 24 -0.362 -4.815 7.310 1.00 0.18 C ATOM 879 O PRO B 24 0.370 -3.836 7.210 1.00 0.19 O ATOM 880 CB PRO B 24 -2.876 -4.795 7.136 1.00 0.27 C ATOM 881 CG PRO B 24 -3.622 -6.089 7.028 1.00 0.33 C ATOM 882 CD PRO B 24 -3.035 -6.834 5.863 1.00 0.37 C ATOM 0 HA PRO B 24 -1.403 -4.266 5.576 1.00 0.22 H new ATOM 0 HB2 PRO B 24 -2.688 -4.540 8.179 1.00 0.27 H new ATOM 0 HB3 PRO B 24 -3.453 -3.976 6.707 1.00 0.27 H new ATOM 0 HG2 PRO B 24 -3.525 -6.669 7.946 1.00 0.33 H new ATOM 0 HG3 PRO B 24 -4.686 -5.910 6.875 1.00 0.33 H new ATOM 0 HD2 PRO B 24 -3.090 -7.914 6.003 1.00 0.37 H new ATOM 0 HD3 PRO B 24 -3.554 -6.606 4.932 1.00 0.37 H new ATOM 890 N ASP B 25 -0.139 -5.808 8.164 1.00 0.20 N ATOM 891 CA ASP B 25 0.910 -5.736 9.183 1.00 0.24 C ATOM 892 C ASP B 25 2.293 -5.867 8.556 1.00 0.23 C ATOM 893 O ASP B 25 3.263 -5.276 9.030 1.00 0.28 O ATOM 894 CB ASP B 25 0.710 -6.827 10.235 1.00 0.34 C ATOM 895 CG ASP B 25 1.770 -6.792 11.314 1.00 0.98 C ATOM 896 OD1 ASP B 25 1.651 -5.963 12.243 1.00 1.49 O ATOM 897 OD2 ASP B 25 2.726 -7.594 11.240 1.00 1.76 O ATOM 0 H ASP B 25 -0.672 -6.678 8.173 1.00 0.20 H new ATOM 0 HA ASP B 25 0.841 -4.761 9.665 1.00 0.24 H new ATOM 0 HB2 ASP B 25 -0.273 -6.711 10.692 1.00 0.34 H new ATOM 0 HB3 ASP B 25 0.723 -7.803 9.749 1.00 0.34 H new ATOM 902 N GLN B 26 2.366 -6.624 7.474 1.00 0.19 N ATOM 903 CA GLN B 26 3.603 -6.815 6.744 1.00 0.20 C ATOM 904 C GLN B 26 4.027 -5.487 6.134 1.00 0.20 C ATOM 905 O GLN B 26 5.163 -5.035 6.274 1.00 0.24 O ATOM 906 CB GLN B 26 3.361 -7.863 5.654 1.00 0.25 C ATOM 907 CG GLN B 26 2.704 -9.133 6.181 1.00 0.31 C ATOM 908 CD GLN B 26 3.533 -9.862 7.216 1.00 0.29 C ATOM 909 OE1 GLN B 26 2.997 -10.475 8.133 1.00 0.48 O ATOM 910 NE2 GLN B 26 4.839 -9.828 7.048 1.00 0.28 N ATOM 0 H GLN B 26 1.568 -7.122 7.079 1.00 0.19 H new ATOM 0 HA GLN B 26 4.398 -7.162 7.404 1.00 0.20 H new ATOM 0 HB2 GLN B 26 2.731 -7.431 4.876 1.00 0.25 H new ATOM 0 HB3 GLN B 26 4.312 -8.120 5.188 1.00 0.25 H new ATOM 0 HG2 GLN B 26 1.738 -8.878 6.616 1.00 0.31 H new ATOM 0 HG3 GLN B 26 2.510 -9.805 5.345 1.00 0.31 H new ATOM 0 HE21 GLN B 26 5.240 -9.304 6.270 1.00 0.28 H new ATOM 0 HE22 GLN B 26 5.450 -10.325 7.696 1.00 0.28 H new ATOM 919 N LEU B 27 3.068 -4.871 5.477 1.00 0.16 N ATOM 920 CA LEU B 27 3.221 -3.548 4.887 1.00 0.17 C ATOM 921 C LEU B 27 3.435 -2.467 5.954 1.00 0.19 C ATOM 922 O LEU B 27 4.065 -1.445 5.678 1.00 0.21 O ATOM 923 CB LEU B 27 1.970 -3.228 4.070 1.00 0.16 C ATOM 924 CG LEU B 27 1.596 -4.288 3.032 1.00 0.14 C ATOM 925 CD1 LEU B 27 0.099 -4.277 2.780 1.00 0.15 C ATOM 926 CD2 LEU B 27 2.350 -4.056 1.731 1.00 0.13 C ATOM 0 H LEU B 27 2.144 -5.277 5.333 1.00 0.16 H new ATOM 0 HA LEU B 27 4.105 -3.555 4.249 1.00 0.17 H new ATOM 0 HB2 LEU B 27 1.131 -3.096 4.753 1.00 0.16 H new ATOM 0 HB3 LEU B 27 2.119 -2.276 3.560 1.00 0.16 H new ATOM 0 HG LEU B 27 1.878 -5.265 3.425 1.00 0.14 H new ATOM 0 HD11 LEU B 27 -0.151 -5.037 2.039 1.00 0.15 H new ATOM 0 HD12 LEU B 27 -0.428 -4.490 3.710 1.00 0.15 H new ATOM 0 HD13 LEU B 27 -0.200 -3.297 2.409 1.00 0.15 H new ATOM 0 HD21 LEU B 27 2.070 -4.821 1.007 1.00 0.13 H new ATOM 0 HD22 LEU B 27 2.099 -3.072 1.335 1.00 0.13 H new ATOM 0 HD23 LEU B 27 3.423 -4.109 1.918 1.00 0.13 H new ATOM 938 N CYS B 28 2.913 -2.697 7.166 1.00 0.20 N ATOM 939 CA CYS B 28 3.010 -1.721 8.262 1.00 0.23 C ATOM 940 C CYS B 28 4.438 -1.238 8.479 1.00 0.23 C ATOM 941 O CYS B 28 4.666 -0.058 8.747 1.00 0.28 O ATOM 942 CB CYS B 28 2.466 -2.297 9.573 1.00 0.25 C ATOM 943 SG CYS B 28 0.649 -2.319 9.696 1.00 0.27 S ATOM 0 H CYS B 28 2.417 -3.553 7.414 1.00 0.20 H new ATOM 0 HA CYS B 28 2.400 -0.868 7.963 1.00 0.23 H new ATOM 0 HB2 CYS B 28 2.837 -3.315 9.689 1.00 0.25 H new ATOM 0 HB3 CYS B 28 2.866 -1.716 10.404 1.00 0.25 H new ATOM 948 N ALA B 29 5.391 -2.145 8.353 1.00 0.22 N ATOM 949 CA ALA B 29 6.788 -1.805 8.551 1.00 0.24 C ATOM 950 C ALA B 29 7.316 -0.974 7.395 1.00 0.21 C ATOM 951 O ALA B 29 8.028 0.009 7.596 1.00 0.25 O ATOM 952 CB ALA B 29 7.617 -3.062 8.691 1.00 0.26 C ATOM 0 H ALA B 29 5.222 -3.122 8.114 1.00 0.22 H new ATOM 0 HA ALA B 29 6.864 -1.217 9.465 1.00 0.24 H new ATOM 0 HB1 ALA B 29 8.663 -2.793 8.839 1.00 0.26 H new ATOM 0 HB2 ALA B 29 7.265 -3.636 9.548 1.00 0.26 H new ATOM 0 HB3 ALA B 29 7.521 -3.664 7.787 1.00 0.26 H new ATOM 958 N PHE B 30 6.951 -1.373 6.183 1.00 0.18 N ATOM 959 CA PHE B 30 7.488 -0.761 4.982 1.00 0.17 C ATOM 960 C PHE B 30 7.227 0.742 4.932 1.00 0.21 C ATOM 961 O PHE B 30 8.169 1.521 4.901 1.00 0.22 O ATOM 962 CB PHE B 30 6.874 -1.433 3.756 1.00 0.18 C ATOM 963 CG PHE B 30 7.313 -0.827 2.459 1.00 0.16 C ATOM 964 CD1 PHE B 30 8.656 -0.670 2.179 1.00 1.13 C ATOM 965 CD2 PHE B 30 6.381 -0.426 1.513 1.00 1.07 C ATOM 966 CE1 PHE B 30 9.066 -0.127 0.985 1.00 1.13 C ATOM 967 CE2 PHE B 30 6.791 0.121 0.314 1.00 1.07 C ATOM 968 CZ PHE B 30 8.140 0.268 0.053 1.00 0.13 C ATOM 0 H PHE B 30 6.281 -2.122 6.009 1.00 0.18 H new ATOM 0 HA PHE B 30 8.569 -0.902 4.991 1.00 0.17 H new ATOM 0 HB2 PHE B 30 7.138 -2.491 3.761 1.00 0.18 H new ATOM 0 HB3 PHE B 30 5.788 -1.375 3.826 1.00 0.18 H new ATOM 0 HD1 PHE B 30 9.393 -0.977 2.907 1.00 1.13 H new ATOM 0 HD2 PHE B 30 5.327 -0.543 1.716 1.00 1.07 H new ATOM 0 HE1 PHE B 30 10.120 -0.011 0.780 1.00 1.13 H new ATOM 0 HE2 PHE B 30 6.060 0.433 -0.417 1.00 1.07 H new ATOM 0 HZ PHE B 30 8.465 0.694 -0.885 1.00 0.13 H new ATOM 978 N PHE B 31 5.969 1.157 5.007 1.00 0.26 N ATOM 979 CA PHE B 31 5.655 2.574 4.953 1.00 0.35 C ATOM 980 C PHE B 31 6.029 3.283 6.249 1.00 0.37 C ATOM 981 O PHE B 31 6.107 4.507 6.291 1.00 0.46 O ATOM 982 CB PHE B 31 4.191 2.837 4.575 1.00 0.65 C ATOM 983 CG PHE B 31 3.164 1.967 5.242 1.00 0.23 C ATOM 984 CD1 PHE B 31 3.044 1.925 6.617 1.00 1.16 C ATOM 985 CD2 PHE B 31 2.295 1.210 4.475 1.00 1.13 C ATOM 986 CE1 PHE B 31 2.081 1.143 7.217 1.00 1.05 C ATOM 987 CE2 PHE B 31 1.327 0.427 5.068 1.00 1.45 C ATOM 988 CZ PHE B 31 1.219 0.393 6.440 1.00 0.80 C ATOM 0 H PHE B 31 5.162 0.541 5.104 1.00 0.26 H new ATOM 0 HA PHE B 31 6.267 2.995 4.156 1.00 0.35 H new ATOM 0 HB2 PHE B 31 3.960 3.877 4.805 1.00 0.65 H new ATOM 0 HB3 PHE B 31 4.090 2.720 3.496 1.00 0.65 H new ATOM 0 HD1 PHE B 31 3.713 2.512 7.229 1.00 1.16 H new ATOM 0 HD2 PHE B 31 2.376 1.233 3.398 1.00 1.13 H new ATOM 0 HE1 PHE B 31 2.000 1.116 8.294 1.00 1.05 H new ATOM 0 HE2 PHE B 31 0.655 -0.158 4.458 1.00 1.45 H new ATOM 0 HZ PHE B 31 0.462 -0.219 6.908 1.00 0.80 H new ATOM 998 N HIS B 32 6.291 2.514 7.296 1.00 0.36 N ATOM 999 CA HIS B 32 6.756 3.091 8.549 1.00 0.43 C ATOM 1000 C HIS B 32 8.214 3.511 8.411 1.00 0.40 C ATOM 1001 O HIS B 32 8.586 4.618 8.785 1.00 0.47 O ATOM 1002 CB HIS B 32 6.598 2.084 9.694 1.00 0.47 C ATOM 1003 CG HIS B 32 6.978 2.628 11.039 1.00 0.71 C ATOM 1004 ND1 HIS B 32 8.020 2.124 11.786 1.00 1.37 N ATOM 1005 CD2 HIS B 32 6.440 3.629 11.776 1.00 1.43 C ATOM 1006 CE1 HIS B 32 8.105 2.787 12.923 1.00 1.77 C ATOM 1007 NE2 HIS B 32 7.160 3.705 12.940 1.00 1.70 N ATOM 0 H HIS B 32 6.191 1.499 7.304 1.00 0.36 H new ATOM 0 HA HIS B 32 6.153 3.969 8.780 1.00 0.43 H new ATOM 0 HB2 HIS B 32 5.562 1.748 9.729 1.00 0.47 H new ATOM 0 HB3 HIS B 32 7.210 1.208 9.481 1.00 0.47 H new ATOM 0 HD2 HIS B 32 5.601 4.250 11.499 1.00 1.43 H new ATOM 0 HE1 HIS B 32 8.826 2.608 13.707 1.00 1.77 H new ATOM 0 HE2 HIS B 32 6.991 4.366 13.698 1.00 1.70 H new ATOM 1016 N SER B 33 9.020 2.628 7.836 1.00 0.33 N ATOM 1017 CA SER B 33 10.424 2.918 7.571 1.00 0.33 C ATOM 1018 C SER B 33 10.560 3.919 6.428 1.00 0.28 C ATOM 1019 O SER B 33 11.464 4.735 6.402 1.00 0.30 O ATOM 1020 CB SER B 33 11.167 1.628 7.234 1.00 0.33 C ATOM 1021 OG SER B 33 11.085 0.702 8.308 1.00 0.77 O ATOM 0 H SER B 33 8.723 1.698 7.542 1.00 0.33 H new ATOM 0 HA SER B 33 10.863 3.358 8.466 1.00 0.33 H new ATOM 0 HB2 SER B 33 10.744 1.184 6.333 1.00 0.33 H new ATOM 0 HB3 SER B 33 12.212 1.851 7.019 1.00 0.33 H new ATOM 0 HG SER B 33 10.193 0.296 8.322 1.00 0.77 H new ATOM 1027 N VAL B 34 9.650 3.816 5.482 1.00 0.22 N ATOM 1028 CA VAL B 34 9.642 4.637 4.283 1.00 0.20 C ATOM 1029 C VAL B 34 9.225 6.072 4.596 1.00 0.26 C ATOM 1030 O VAL B 34 9.782 7.019 4.046 1.00 0.27 O ATOM 1031 CB VAL B 34 8.688 4.018 3.232 1.00 0.19 C ATOM 1032 CG1 VAL B 34 8.272 5.001 2.169 1.00 0.18 C ATOM 1033 CG2 VAL B 34 9.323 2.816 2.570 1.00 0.20 C ATOM 0 H VAL B 34 8.880 3.148 5.523 1.00 0.22 H new ATOM 0 HA VAL B 34 10.655 4.665 3.880 1.00 0.20 H new ATOM 0 HB VAL B 34 7.795 3.715 3.778 1.00 0.19 H new ATOM 0 HG11 VAL B 34 7.604 4.510 1.461 1.00 0.18 H new ATOM 0 HG12 VAL B 34 7.755 5.841 2.633 1.00 0.18 H new ATOM 0 HG13 VAL B 34 9.155 5.364 1.643 1.00 0.18 H new ATOM 0 HG21 VAL B 34 8.634 2.399 1.836 1.00 0.20 H new ATOM 0 HG22 VAL B 34 10.244 3.119 2.072 1.00 0.20 H new ATOM 0 HG23 VAL B 34 9.550 2.063 3.324 1.00 0.20 H new ATOM 1043 N HIS B 35 8.243 6.238 5.477 1.00 0.32 N ATOM 1044 CA HIS B 35 7.813 7.575 5.861 1.00 0.41 C ATOM 1045 C HIS B 35 8.826 8.188 6.811 1.00 0.45 C ATOM 1046 O HIS B 35 9.097 9.387 6.757 1.00 0.51 O ATOM 1047 CB HIS B 35 6.436 7.547 6.519 1.00 0.48 C ATOM 1048 CG HIS B 35 5.862 8.912 6.765 1.00 0.66 C ATOM 1049 ND1 HIS B 35 5.496 9.365 8.013 1.00 1.60 N ATOM 1050 CD2 HIS B 35 5.584 9.921 5.909 1.00 0.88 C ATOM 1051 CE1 HIS B 35 5.019 10.591 7.915 1.00 1.50 C ATOM 1052 NE2 HIS B 35 5.061 10.953 6.648 1.00 0.80 N ATOM 0 H HIS B 35 7.738 5.477 5.931 1.00 0.32 H new ATOM 0 HA HIS B 35 7.744 8.182 4.958 1.00 0.41 H new ATOM 0 HB2 HIS B 35 5.751 6.982 5.886 1.00 0.48 H new ATOM 0 HB3 HIS B 35 6.506 7.015 7.468 1.00 0.48 H new ATOM 0 HD2 HIS B 35 5.744 9.916 4.841 1.00 0.88 H new ATOM 0 HE1 HIS B 35 4.656 11.195 8.733 1.00 1.50 H new ATOM 0 HE2 HIS B 35 4.755 11.853 6.277 1.00 0.80 H new ATOM 1061 N ASP B 36 9.372 7.358 7.684 1.00 0.44 N ATOM 1062 CA ASP B 36 10.405 7.804 8.604 1.00 0.50 C ATOM 1063 C ASP B 36 11.703 8.058 7.851 1.00 0.47 C ATOM 1064 O ASP B 36 12.410 9.029 8.131 1.00 0.52 O ATOM 1065 CB ASP B 36 10.626 6.777 9.718 1.00 0.55 C ATOM 1066 CG ASP B 36 11.608 7.258 10.770 1.00 0.79 C ATOM 1067 OD1 ASP B 36 11.425 8.379 11.292 1.00 1.29 O ATOM 1068 OD2 ASP B 36 12.550 6.508 11.100 1.00 1.59 O ATOM 0 H ASP B 36 9.118 6.374 7.775 1.00 0.44 H new ATOM 0 HA ASP B 36 10.076 8.736 9.064 1.00 0.50 H new ATOM 0 HB2 ASP B 36 9.671 6.552 10.194 1.00 0.55 H new ATOM 0 HB3 ASP B 36 10.992 5.847 9.282 1.00 0.55 H new ATOM 1073 N ASP B 37 12.003 7.202 6.874 1.00 0.39 N ATOM 1074 CA ASP B 37 13.215 7.371 6.068 1.00 0.40 C ATOM 1075 C ASP B 37 12.903 7.383 4.574 1.00 0.32 C ATOM 1076 O ASP B 37 13.131 6.394 3.876 1.00 0.29 O ATOM 1077 CB ASP B 37 14.231 6.259 6.350 1.00 0.48 C ATOM 1078 CG ASP B 37 14.852 6.331 7.726 1.00 1.00 C ATOM 1079 OD1 ASP B 37 15.564 7.318 8.011 1.00 1.58 O ATOM 1080 OD2 ASP B 37 14.653 5.387 8.520 1.00 1.55 O ATOM 0 H ASP B 37 11.433 6.394 6.623 1.00 0.39 H new ATOM 0 HA ASP B 37 13.641 8.334 6.351 1.00 0.40 H new ATOM 0 HB2 ASP B 37 13.739 5.293 6.234 1.00 0.48 H new ATOM 0 HB3 ASP B 37 15.023 6.305 5.602 1.00 0.48 H new ATOM 1085 N PRO B 38 12.395 8.509 4.057 1.00 0.34 N ATOM 1086 CA PRO B 38 12.141 8.687 2.621 1.00 0.31 C ATOM 1087 C PRO B 38 13.407 8.510 1.781 1.00 0.30 C ATOM 1088 O PRO B 38 13.340 8.163 0.602 1.00 0.36 O ATOM 1089 CB PRO B 38 11.631 10.133 2.522 1.00 0.42 C ATOM 1090 CG PRO B 38 12.050 10.775 3.802 1.00 0.49 C ATOM 1091 CD PRO B 38 11.993 9.693 4.827 1.00 0.46 C ATOM 0 HA PRO B 38 11.438 7.947 2.239 1.00 0.31 H new ATOM 0 HB2 PRO B 38 12.062 10.646 1.663 1.00 0.42 H new ATOM 0 HB3 PRO B 38 10.548 10.163 2.401 1.00 0.42 H new ATOM 0 HG2 PRO B 38 13.055 11.188 3.723 1.00 0.49 H new ATOM 0 HG3 PRO B 38 11.386 11.599 4.064 1.00 0.49 H new ATOM 0 HD2 PRO B 38 12.670 9.886 5.659 1.00 0.46 H new ATOM 0 HD3 PRO B 38 10.993 9.584 5.248 1.00 0.46 H new ATOM 1099 N SER B 39 14.560 8.725 2.412 1.00 0.29 N ATOM 1100 CA SER B 39 15.850 8.651 1.736 1.00 0.31 C ATOM 1101 C SER B 39 16.145 7.247 1.217 1.00 0.26 C ATOM 1102 O SER B 39 16.956 7.073 0.309 1.00 0.31 O ATOM 1103 CB SER B 39 16.965 9.092 2.688 1.00 0.39 C ATOM 1104 OG SER B 39 18.196 9.273 2.001 1.00 1.45 O ATOM 0 H SER B 39 14.624 8.955 3.404 1.00 0.29 H new ATOM 0 HA SER B 39 15.807 9.321 0.877 1.00 0.31 H new ATOM 0 HB2 SER B 39 16.680 10.023 3.177 1.00 0.39 H new ATOM 0 HB3 SER B 39 17.091 8.346 3.472 1.00 0.39 H new ATOM 0 HG SER B 39 18.887 9.556 2.636 1.00 1.45 H new ATOM 1110 N GLN B 40 15.484 6.249 1.779 1.00 0.21 N ATOM 1111 CA GLN B 40 15.799 4.866 1.448 1.00 0.19 C ATOM 1112 C GLN B 40 14.612 4.101 0.927 1.00 0.15 C ATOM 1113 O GLN B 40 14.634 2.880 0.930 1.00 0.14 O ATOM 1114 CB GLN B 40 16.324 4.133 2.660 1.00 0.22 C ATOM 1115 CG GLN B 40 16.012 4.821 3.962 1.00 0.25 C ATOM 1116 CD GLN B 40 17.143 4.702 4.945 1.00 0.32 C ATOM 1117 OE1 GLN B 40 17.192 3.792 5.772 1.00 0.37 O ATOM 1118 NE2 GLN B 40 18.075 5.612 4.819 1.00 0.35 N ATOM 0 H GLN B 40 14.733 6.366 2.460 1.00 0.21 H new ATOM 0 HA GLN B 40 16.554 4.916 0.663 1.00 0.19 H new ATOM 0 HB2 GLN B 40 15.900 3.129 2.679 1.00 0.22 H new ATOM 0 HB3 GLN B 40 17.404 4.022 2.567 1.00 0.22 H new ATOM 0 HG2 GLN B 40 15.803 5.874 3.775 1.00 0.25 H new ATOM 0 HG3 GLN B 40 15.109 4.389 4.394 1.00 0.25 H new ATOM 0 HE21 GLN B 40 17.981 6.344 4.115 1.00 0.35 H new ATOM 0 HE22 GLN B 40 18.895 5.589 5.425 1.00 0.35 H new ATOM 1127 N SER B 41 13.587 4.804 0.502 1.00 0.15 N ATOM 1128 CA SER B 41 12.374 4.169 -0.015 1.00 0.14 C ATOM 1129 C SER B 41 12.691 3.075 -1.047 1.00 0.11 C ATOM 1130 O SER B 41 11.918 2.142 -1.208 1.00 0.10 O ATOM 1131 CB SER B 41 11.421 5.209 -0.608 1.00 0.16 C ATOM 1132 OG SER B 41 12.029 5.893 -1.690 1.00 0.75 O ATOM 0 H SER B 41 13.560 5.824 0.500 1.00 0.15 H new ATOM 0 HA SER B 41 11.881 3.688 0.830 1.00 0.14 H new ATOM 0 HB2 SER B 41 10.509 4.720 -0.949 1.00 0.16 H new ATOM 0 HB3 SER B 41 11.131 5.924 0.162 1.00 0.16 H new ATOM 0 HG SER B 41 11.714 6.821 -1.709 1.00 0.75 H new ATOM 1138 N ALA B 42 13.825 3.187 -1.746 1.00 0.09 N ATOM 1139 CA ALA B 42 14.244 2.149 -2.689 1.00 0.08 C ATOM 1140 C ALA B 42 14.831 0.932 -1.974 1.00 0.10 C ATOM 1141 O ALA B 42 14.538 -0.210 -2.330 1.00 0.10 O ATOM 1142 CB ALA B 42 15.249 2.689 -3.682 1.00 0.09 C ATOM 0 H ALA B 42 14.463 3.979 -1.677 1.00 0.09 H new ATOM 0 HA ALA B 42 13.349 1.832 -3.224 1.00 0.08 H new ATOM 0 HB1 ALA B 42 15.543 1.896 -4.370 1.00 0.09 H new ATOM 0 HB2 ALA B 42 14.801 3.509 -4.243 1.00 0.09 H new ATOM 0 HB3 ALA B 42 16.128 3.051 -3.149 1.00 0.09 H new ATOM 1148 N ASN B 43 15.674 1.169 -0.977 1.00 0.12 N ATOM 1149 CA ASN B 43 16.232 0.077 -0.181 1.00 0.14 C ATOM 1150 C ASN B 43 15.130 -0.541 0.659 1.00 0.14 C ATOM 1151 O ASN B 43 15.084 -1.748 0.879 1.00 0.15 O ATOM 1152 CB ASN B 43 17.369 0.566 0.721 1.00 0.18 C ATOM 1153 CG ASN B 43 18.615 0.929 -0.049 1.00 0.27 C ATOM 1154 OD1 ASN B 43 19.454 0.075 -0.338 1.00 0.37 O ATOM 1155 ND2 ASN B 43 18.756 2.203 -0.365 1.00 0.33 N ATOM 0 H ASN B 43 15.986 2.100 -0.700 1.00 0.12 H new ATOM 0 HA ASN B 43 16.646 -0.670 -0.859 1.00 0.14 H new ATOM 0 HB2 ASN B 43 17.030 1.435 1.285 1.00 0.18 H new ATOM 0 HB3 ASN B 43 17.610 -0.211 1.447 1.00 0.18 H new ATOM 0 HD21 ASN B 43 19.586 2.515 -0.869 1.00 0.33 H new ATOM 0 HD22 ASN B 43 18.035 2.876 -0.105 1.00 0.33 H new ATOM 1162 N LEU B 44 14.253 0.327 1.125 1.00 0.13 N ATOM 1163 CA LEU B 44 13.030 -0.058 1.814 1.00 0.13 C ATOM 1164 C LEU B 44 12.132 -0.845 0.868 1.00 0.11 C ATOM 1165 O LEU B 44 11.520 -1.840 1.258 1.00 0.11 O ATOM 1166 CB LEU B 44 12.297 1.190 2.307 1.00 0.14 C ATOM 1167 CG LEU B 44 12.787 1.799 3.630 1.00 0.17 C ATOM 1168 CD1 LEU B 44 14.200 1.378 3.977 1.00 0.19 C ATOM 1169 CD2 LEU B 44 12.746 3.294 3.528 1.00 0.17 C ATOM 0 H LEU B 44 14.369 1.336 1.036 1.00 0.13 H new ATOM 0 HA LEU B 44 13.284 -0.683 2.670 1.00 0.13 H new ATOM 0 HB2 LEU B 44 12.368 1.954 1.533 1.00 0.14 H new ATOM 0 HB3 LEU B 44 11.241 0.944 2.416 1.00 0.14 H new ATOM 0 HG LEU B 44 12.127 1.436 4.418 1.00 0.17 H new ATOM 0 HD11 LEU B 44 14.495 1.837 4.921 1.00 0.19 H new ATOM 0 HD12 LEU B 44 14.243 0.293 4.072 1.00 0.19 H new ATOM 0 HD13 LEU B 44 14.880 1.701 3.188 1.00 0.19 H new ATOM 0 HD21 LEU B 44 13.093 3.732 4.464 1.00 0.17 H new ATOM 0 HD22 LEU B 44 13.392 3.621 2.713 1.00 0.17 H new ATOM 0 HD23 LEU B 44 11.724 3.617 3.333 1.00 0.17 H new ATOM 1181 N LEU B 45 12.084 -0.388 -0.388 1.00 0.10 N ATOM 1182 CA LEU B 45 11.312 -1.034 -1.446 1.00 0.09 C ATOM 1183 C LEU B 45 11.699 -2.487 -1.512 1.00 0.08 C ATOM 1184 O LEU B 45 10.853 -3.381 -1.494 1.00 0.08 O ATOM 1185 CB LEU B 45 11.621 -0.385 -2.803 1.00 0.09 C ATOM 1186 CG LEU B 45 10.406 -0.087 -3.674 1.00 0.11 C ATOM 1187 CD1 LEU B 45 10.765 -0.152 -5.154 1.00 0.13 C ATOM 1188 CD2 LEU B 45 9.276 -1.042 -3.339 1.00 0.10 C ATOM 0 H LEU B 45 12.584 0.446 -0.697 1.00 0.10 H new ATOM 0 HA LEU B 45 10.250 -0.926 -1.227 1.00 0.09 H new ATOM 0 HB2 LEU B 45 12.159 0.547 -2.628 1.00 0.09 H new ATOM 0 HB3 LEU B 45 12.292 -1.041 -3.357 1.00 0.09 H new ATOM 0 HG LEU B 45 10.069 0.928 -3.465 1.00 0.11 H new ATOM 0 HD11 LEU B 45 9.880 0.064 -5.753 1.00 0.13 H new ATOM 0 HD12 LEU B 45 11.540 0.582 -5.373 1.00 0.13 H new ATOM 0 HD13 LEU B 45 11.132 -1.150 -5.396 1.00 0.13 H new ATOM 0 HD21 LEU B 45 8.413 -0.820 -3.967 1.00 0.10 H new ATOM 0 HD22 LEU B 45 9.601 -2.067 -3.518 1.00 0.10 H new ATOM 0 HD23 LEU B 45 9.001 -0.926 -2.291 1.00 0.10 H new ATOM 1200 N ALA B 46 12.994 -2.689 -1.558 1.00 0.09 N ATOM 1201 CA ALA B 46 13.592 -3.992 -1.588 1.00 0.11 C ATOM 1202 C ALA B 46 13.030 -4.875 -0.507 1.00 0.11 C ATOM 1203 O ALA B 46 12.746 -6.029 -0.746 1.00 0.13 O ATOM 1204 CB ALA B 46 15.079 -3.830 -1.386 1.00 0.13 C ATOM 0 H ALA B 46 13.674 -1.929 -1.576 1.00 0.09 H new ATOM 0 HA ALA B 46 13.378 -4.463 -2.547 1.00 0.11 H new ATOM 0 HB1 ALA B 46 15.558 -4.809 -1.405 1.00 0.13 H new ATOM 0 HB2 ALA B 46 15.489 -3.210 -2.183 1.00 0.13 H new ATOM 0 HB3 ALA B 46 15.266 -3.353 -0.424 1.00 0.13 H new ATOM 1210 N GLU B 47 12.852 -4.310 0.669 1.00 0.11 N ATOM 1211 CA GLU B 47 12.464 -5.079 1.833 1.00 0.12 C ATOM 1212 C GLU B 47 10.992 -5.471 1.790 1.00 0.10 C ATOM 1213 O GLU B 47 10.621 -6.549 2.246 1.00 0.11 O ATOM 1214 CB GLU B 47 12.768 -4.294 3.098 1.00 0.16 C ATOM 1215 CG GLU B 47 14.171 -3.720 3.112 1.00 0.20 C ATOM 1216 CD GLU B 47 14.588 -3.271 4.494 1.00 0.71 C ATOM 1217 OE1 GLU B 47 15.061 -4.117 5.280 1.00 1.20 O ATOM 1218 OE2 GLU B 47 14.431 -2.073 4.805 1.00 1.43 O ATOM 0 H GLU B 47 12.971 -3.312 0.845 1.00 0.11 H new ATOM 0 HA GLU B 47 13.045 -6.001 1.832 1.00 0.12 H new ATOM 0 HB2 GLU B 47 12.048 -3.482 3.198 1.00 0.16 H new ATOM 0 HB3 GLU B 47 12.638 -4.944 3.963 1.00 0.16 H new ATOM 0 HG2 GLU B 47 14.873 -4.470 2.748 1.00 0.20 H new ATOM 0 HG3 GLU B 47 14.223 -2.875 2.426 1.00 0.20 H new ATOM 1225 N ALA B 48 10.153 -4.594 1.256 1.00 0.07 N ATOM 1226 CA ALA B 48 8.731 -4.896 1.135 1.00 0.07 C ATOM 1227 C ALA B 48 8.537 -5.892 0.032 1.00 0.08 C ATOM 1228 O ALA B 48 7.742 -6.816 0.136 1.00 0.09 O ATOM 1229 CB ALA B 48 7.898 -3.662 0.861 1.00 0.09 C ATOM 0 H ALA B 48 10.427 -3.677 0.903 1.00 0.07 H new ATOM 0 HA ALA B 48 8.394 -5.305 2.088 1.00 0.07 H new ATOM 0 HB1 ALA B 48 6.848 -3.943 0.780 1.00 0.09 H new ATOM 0 HB2 ALA B 48 8.022 -2.951 1.678 1.00 0.09 H new ATOM 0 HB3 ALA B 48 8.224 -3.203 -0.072 1.00 0.09 H new ATOM 1235 N LYS B 49 9.295 -5.693 -1.028 1.00 0.09 N ATOM 1236 CA LYS B 49 9.259 -6.576 -2.159 1.00 0.12 C ATOM 1237 C LYS B 49 9.912 -7.894 -1.767 1.00 0.15 C ATOM 1238 O LYS B 49 9.551 -8.952 -2.256 1.00 0.19 O ATOM 1239 CB LYS B 49 9.962 -5.889 -3.324 1.00 0.11 C ATOM 1240 CG LYS B 49 9.259 -4.610 -3.741 1.00 0.11 C ATOM 1241 CD LYS B 49 9.921 -3.927 -4.922 1.00 0.12 C ATOM 1242 CE LYS B 49 11.397 -3.677 -4.697 1.00 0.11 C ATOM 1243 NZ LYS B 49 12.113 -3.366 -5.964 1.00 0.20 N ATOM 0 H LYS B 49 9.948 -4.915 -1.122 1.00 0.09 H new ATOM 0 HA LYS B 49 8.239 -6.799 -2.472 1.00 0.12 H new ATOM 0 HB2 LYS B 49 10.990 -5.662 -3.043 1.00 0.11 H new ATOM 0 HB3 LYS B 49 10.007 -6.571 -4.173 1.00 0.11 H new ATOM 0 HG2 LYS B 49 8.223 -4.837 -3.994 1.00 0.11 H new ATOM 0 HG3 LYS B 49 9.237 -3.922 -2.896 1.00 0.11 H new ATOM 0 HD2 LYS B 49 9.792 -4.543 -5.812 1.00 0.12 H new ATOM 0 HD3 LYS B 49 9.421 -2.978 -5.115 1.00 0.12 H new ATOM 0 HE2 LYS B 49 11.521 -2.849 -3.999 1.00 0.11 H new ATOM 0 HE3 LYS B 49 11.846 -4.555 -4.234 1.00 0.11 H new ATOM 0 HZ1 LYS B 49 12.906 -2.724 -5.766 1.00 0.20 H new ATOM 0 HZ2 LYS B 49 12.476 -4.246 -6.382 1.00 0.20 H new ATOM 0 HZ3 LYS B 49 11.457 -2.911 -6.631 1.00 0.20 H new ATOM 1257 N LYS B 50 10.854 -7.799 -0.842 1.00 0.15 N ATOM 1258 CA LYS B 50 11.469 -8.953 -0.202 1.00 0.18 C ATOM 1259 C LYS B 50 10.469 -9.689 0.664 1.00 0.20 C ATOM 1260 O LYS B 50 10.446 -10.906 0.698 1.00 0.26 O ATOM 1261 CB LYS B 50 12.616 -8.456 0.666 1.00 0.19 C ATOM 1262 CG LYS B 50 12.968 -9.366 1.833 1.00 0.24 C ATOM 1263 CD LYS B 50 14.177 -8.860 2.605 1.00 0.33 C ATOM 1264 CE LYS B 50 15.414 -8.783 1.723 1.00 1.07 C ATOM 1265 NZ LYS B 50 15.683 -10.070 1.024 1.00 1.88 N ATOM 0 H LYS B 50 11.218 -6.906 -0.510 1.00 0.15 H new ATOM 0 HA LYS B 50 11.827 -9.642 -0.967 1.00 0.18 H new ATOM 0 HB2 LYS B 50 13.500 -8.331 0.040 1.00 0.19 H new ATOM 0 HB3 LYS B 50 12.359 -7.471 1.055 1.00 0.19 H new ATOM 0 HG2 LYS B 50 12.113 -9.440 2.506 1.00 0.24 H new ATOM 0 HG3 LYS B 50 13.169 -10.371 1.461 1.00 0.24 H new ATOM 0 HD2 LYS B 50 13.960 -7.874 3.015 1.00 0.33 H new ATOM 0 HD3 LYS B 50 14.372 -9.521 3.450 1.00 0.33 H new ATOM 0 HE2 LYS B 50 15.285 -7.990 0.986 1.00 1.07 H new ATOM 0 HE3 LYS B 50 16.277 -8.514 2.332 1.00 1.07 H new ATOM 0 HZ1 LYS B 50 16.632 -10.043 0.600 1.00 1.88 H new ATOM 0 HZ2 LYS B 50 15.631 -10.853 1.706 1.00 1.88 H new ATOM 0 HZ3 LYS B 50 14.974 -10.214 0.277 1.00 1.88 H new ATOM 1279 N LEU B 51 9.667 -8.933 1.382 1.00 0.17 N ATOM 1280 CA LEU B 51 8.649 -9.495 2.245 1.00 0.17 C ATOM 1281 C LEU B 51 7.542 -10.099 1.409 1.00 0.18 C ATOM 1282 O LEU B 51 7.017 -11.176 1.708 1.00 0.20 O ATOM 1283 CB LEU B 51 8.085 -8.408 3.146 1.00 0.14 C ATOM 1284 CG LEU B 51 7.048 -8.879 4.151 1.00 0.12 C ATOM 1285 CD1 LEU B 51 7.598 -10.035 4.961 1.00 0.14 C ATOM 1286 CD2 LEU B 51 6.608 -7.724 5.036 1.00 0.13 C ATOM 0 H LEU B 51 9.701 -7.914 1.385 1.00 0.17 H new ATOM 0 HA LEU B 51 9.093 -10.276 2.862 1.00 0.17 H new ATOM 0 HB2 LEU B 51 8.909 -7.943 3.688 1.00 0.14 H new ATOM 0 HB3 LEU B 51 7.638 -7.635 2.521 1.00 0.14 H new ATOM 0 HG LEU B 51 6.166 -9.237 3.620 1.00 0.12 H new ATOM 0 HD11 LEU B 51 6.847 -10.366 5.679 1.00 0.14 H new ATOM 0 HD12 LEU B 51 7.850 -10.859 4.294 1.00 0.14 H new ATOM 0 HD13 LEU B 51 8.493 -9.713 5.494 1.00 0.14 H new ATOM 0 HD21 LEU B 51 5.865 -8.076 5.751 1.00 0.13 H new ATOM 0 HD22 LEU B 51 7.470 -7.329 5.573 1.00 0.13 H new ATOM 0 HD23 LEU B 51 6.173 -6.938 4.419 1.00 0.13 H new ATOM 1298 N ASN B 52 7.187 -9.383 0.361 1.00 0.18 N ATOM 1299 CA ASN B 52 6.207 -9.859 -0.598 1.00 0.26 C ATOM 1300 C ASN B 52 6.768 -11.055 -1.336 1.00 0.37 C ATOM 1301 O ASN B 52 6.028 -11.843 -1.892 1.00 0.63 O ATOM 1302 CB ASN B 52 5.810 -8.756 -1.576 1.00 0.40 C ATOM 1303 CG ASN B 52 4.361 -8.871 -2.016 1.00 0.79 C ATOM 1304 OD1 ASN B 52 3.457 -8.372 -1.357 1.00 1.86 O ATOM 1305 ND2 ASN B 52 4.114 -9.539 -3.118 1.00 0.29 N ATOM 0 H ASN B 52 7.566 -8.460 0.150 1.00 0.18 H new ATOM 0 HA ASN B 52 5.306 -10.157 -0.062 1.00 0.26 H new ATOM 0 HB2 ASN B 52 5.970 -7.784 -1.109 1.00 0.40 H new ATOM 0 HB3 ASN B 52 6.458 -8.799 -2.451 1.00 0.40 H new ATOM 0 HD21 ASN B 52 3.153 -9.651 -3.442 1.00 0.29 H new ATOM 0 HD22 ASN B 52 4.883 -9.946 -3.651 1.00 0.29 H new ATOM 1312 N ASP B 53 8.087 -11.151 -1.354 1.00 0.31 N ATOM 1313 CA ASP B 53 8.781 -12.335 -1.852 1.00 0.37 C ATOM 1314 C ASP B 53 8.799 -13.411 -0.792 1.00 0.38 C ATOM 1315 O ASP B 53 8.691 -14.600 -1.088 1.00 0.47 O ATOM 1316 CB ASP B 53 10.225 -11.999 -2.223 1.00 0.38 C ATOM 1317 CG ASP B 53 10.405 -11.750 -3.710 1.00 0.93 C ATOM 1318 OD1 ASP B 53 9.845 -10.766 -4.237 1.00 1.71 O ATOM 1319 OD2 ASP B 53 11.088 -12.562 -4.371 1.00 1.59 O ATOM 0 H ASP B 53 8.710 -10.413 -1.025 1.00 0.31 H new ATOM 0 HA ASP B 53 8.249 -12.687 -2.736 1.00 0.37 H new ATOM 0 HB2 ASP B 53 10.542 -11.115 -1.670 1.00 0.38 H new ATOM 0 HB3 ASP B 53 10.875 -12.818 -1.915 1.00 0.38 H new ATOM 1324 N ALA B 54 8.930 -12.970 0.447 1.00 0.30 N ATOM 1325 CA ALA B 54 9.215 -13.855 1.554 1.00 0.30 C ATOM 1326 C ALA B 54 8.070 -14.805 1.828 1.00 0.27 C ATOM 1327 O ALA B 54 8.261 -15.999 2.045 1.00 0.32 O ATOM 1328 CB ALA B 54 9.485 -13.042 2.805 1.00 0.27 C ATOM 0 H ALA B 54 8.841 -11.988 0.710 1.00 0.30 H new ATOM 0 HA ALA B 54 10.092 -14.443 1.282 1.00 0.30 H new ATOM 0 HB1 ALA B 54 9.699 -13.714 3.636 1.00 0.27 H new ATOM 0 HB2 ALA B 54 10.341 -12.389 2.637 1.00 0.27 H new ATOM 0 HB3 ALA B 54 8.609 -12.438 3.043 1.00 0.27 H new ATOM 1334 N GLN B 55 6.874 -14.255 1.801 1.00 0.23 N ATOM 1335 CA GLN B 55 5.686 -14.989 2.186 1.00 0.23 C ATOM 1336 C GLN B 55 4.873 -15.341 0.955 1.00 0.27 C ATOM 1337 O GLN B 55 3.846 -16.014 1.035 1.00 0.34 O ATOM 1338 CB GLN B 55 4.871 -14.130 3.127 1.00 0.21 C ATOM 1339 CG GLN B 55 5.694 -13.559 4.254 1.00 0.18 C ATOM 1340 CD GLN B 55 4.925 -12.530 5.022 1.00 0.20 C ATOM 1341 OE1 GLN B 55 4.340 -12.809 6.066 1.00 0.27 O ATOM 1342 NE2 GLN B 55 4.849 -11.349 4.452 1.00 0.19 N ATOM 0 H GLN B 55 6.698 -13.292 1.513 1.00 0.23 H new ATOM 0 HA GLN B 55 5.966 -15.916 2.687 1.00 0.23 H new ATOM 0 HB2 GLN B 55 4.416 -13.314 2.565 1.00 0.21 H new ATOM 0 HB3 GLN B 55 4.057 -14.724 3.542 1.00 0.21 H new ATOM 0 HG2 GLN B 55 6.002 -14.361 4.925 1.00 0.18 H new ATOM 0 HG3 GLN B 55 6.603 -13.112 3.853 1.00 0.18 H new ATOM 0 HE21 GLN B 55 5.354 -11.168 3.585 1.00 0.19 H new ATOM 0 HE22 GLN B 55 4.285 -10.613 4.877 1.00 0.19 H new ATOM 1351 N ALA B 56 5.355 -14.854 -0.179 1.00 0.27 N ATOM 1352 CA ALA B 56 4.732 -15.068 -1.474 1.00 0.32 C ATOM 1353 C ALA B 56 4.393 -16.532 -1.769 1.00 0.38 C ATOM 1354 O ALA B 56 3.257 -16.832 -2.135 1.00 0.41 O ATOM 1355 CB ALA B 56 5.650 -14.534 -2.540 1.00 0.39 C ATOM 0 H ALA B 56 6.204 -14.290 -0.224 1.00 0.27 H new ATOM 0 HA ALA B 56 3.779 -14.539 -1.463 1.00 0.32 H new ATOM 0 HB1 ALA B 56 5.197 -14.687 -3.520 1.00 0.39 H new ATOM 0 HB2 ALA B 56 5.815 -13.469 -2.378 1.00 0.39 H new ATOM 0 HB3 ALA B 56 6.604 -15.059 -2.495 1.00 0.39 H new ATOM 1416 N GLY C 36 -11.281 -7.731 -3.633 1.00 0.40 N ATOM 1417 CA GLY C 36 -10.552 -7.006 -2.621 1.00 0.20 C ATOM 1418 C GLY C 36 -9.725 -5.875 -3.181 1.00 0.15 C ATOM 1419 O GLY C 36 -9.892 -5.477 -4.331 1.00 0.22 O ATOM 0 HA2 GLY C 36 -11.256 -6.606 -1.891 1.00 0.20 H new ATOM 0 HA3 GLY C 36 -9.898 -7.697 -2.088 1.00 0.20 H new ATOM 1423 N VAL C 37 -8.841 -5.349 -2.357 1.00 0.11 N ATOM 1424 CA VAL C 37 -7.936 -4.293 -2.767 1.00 0.09 C ATOM 1425 C VAL C 37 -6.502 -4.780 -2.602 1.00 0.10 C ATOM 1426 O VAL C 37 -6.190 -5.553 -1.691 1.00 0.16 O ATOM 1427 CB VAL C 37 -8.140 -3.008 -1.938 1.00 0.09 C ATOM 1428 CG1 VAL C 37 -9.582 -2.538 -2.013 1.00 0.08 C ATOM 1429 CG2 VAL C 37 -7.713 -3.221 -0.498 1.00 0.10 C ATOM 0 H VAL C 37 -8.729 -5.641 -1.386 1.00 0.11 H new ATOM 0 HA VAL C 37 -8.144 -4.052 -3.809 1.00 0.09 H new ATOM 0 HB VAL C 37 -7.510 -2.227 -2.364 1.00 0.09 H new ATOM 0 HG11 VAL C 37 -9.700 -1.631 -1.421 1.00 0.08 H new ATOM 0 HG12 VAL C 37 -9.844 -2.330 -3.051 1.00 0.08 H new ATOM 0 HG13 VAL C 37 -10.239 -3.315 -1.622 1.00 0.08 H new ATOM 0 HG21 VAL C 37 -7.866 -2.301 0.067 1.00 0.10 H new ATOM 0 HG22 VAL C 37 -8.307 -4.021 -0.057 1.00 0.10 H new ATOM 0 HG23 VAL C 37 -6.658 -3.494 -0.468 1.00 0.10 H new ATOM 1439 N LEU C 38 -5.660 -4.366 -3.508 1.00 0.10 N ATOM 1440 CA LEU C 38 -4.253 -4.711 -3.489 1.00 0.11 C ATOM 1441 C LEU C 38 -3.432 -3.533 -2.964 1.00 0.12 C ATOM 1442 O LEU C 38 -3.771 -2.385 -3.219 1.00 0.20 O ATOM 1443 CB LEU C 38 -3.876 -5.100 -4.928 1.00 0.13 C ATOM 1444 CG LEU C 38 -2.425 -5.426 -5.242 1.00 0.11 C ATOM 1445 CD1 LEU C 38 -2.305 -6.137 -6.579 1.00 0.78 C ATOM 1446 CD2 LEU C 38 -1.577 -4.203 -5.243 1.00 0.74 C ATOM 0 H LEU C 38 -5.928 -3.772 -4.293 1.00 0.10 H new ATOM 0 HA LEU C 38 -4.044 -5.546 -2.820 1.00 0.11 H new ATOM 0 HB2 LEU C 38 -4.476 -5.967 -5.203 1.00 0.13 H new ATOM 0 HB3 LEU C 38 -4.179 -4.282 -5.581 1.00 0.13 H new ATOM 0 HG LEU C 38 -2.068 -6.090 -4.455 1.00 0.11 H new ATOM 0 HD11 LEU C 38 -1.257 -6.359 -6.780 1.00 0.78 H new ATOM 0 HD12 LEU C 38 -2.874 -7.066 -6.549 1.00 0.78 H new ATOM 0 HD13 LEU C 38 -2.698 -5.496 -7.368 1.00 0.78 H new ATOM 0 HD21 LEU C 38 -0.546 -4.475 -5.471 1.00 0.74 H new ATOM 0 HD22 LEU C 38 -1.944 -3.506 -5.997 1.00 0.74 H new ATOM 0 HD23 LEU C 38 -1.619 -3.731 -4.262 1.00 0.74 H new ATOM 1458 N TYR C 39 -2.359 -3.819 -2.235 1.00 0.10 N ATOM 1459 CA TYR C 39 -1.435 -2.768 -1.810 1.00 0.10 C ATOM 1460 C TYR C 39 -0.360 -2.629 -2.857 1.00 0.12 C ATOM 1461 O TYR C 39 0.435 -3.541 -3.073 1.00 0.15 O ATOM 1462 CB TYR C 39 -0.786 -3.065 -0.452 1.00 0.14 C ATOM 1463 CG TYR C 39 0.201 -1.994 0.011 1.00 0.15 C ATOM 1464 CD1 TYR C 39 1.409 -1.789 -0.653 1.00 1.12 C ATOM 1465 CD2 TYR C 39 -0.068 -1.196 1.117 1.00 1.09 C ATOM 1466 CE1 TYR C 39 2.309 -0.833 -0.236 1.00 1.12 C ATOM 1467 CE2 TYR C 39 0.833 -0.238 1.543 1.00 1.09 C ATOM 1468 CZ TYR C 39 2.021 -0.063 0.861 1.00 0.16 C ATOM 1469 OH TYR C 39 2.926 0.882 1.282 1.00 0.17 O ATOM 0 H TYR C 39 -2.107 -4.758 -1.928 1.00 0.10 H new ATOM 0 HA TYR C 39 -2.003 -1.845 -1.697 1.00 0.10 H new ATOM 0 HB2 TYR C 39 -1.569 -3.172 0.298 1.00 0.14 H new ATOM 0 HB3 TYR C 39 -0.268 -4.022 -0.510 1.00 0.14 H new ATOM 0 HD1 TYR C 39 1.645 -2.394 -1.516 1.00 1.12 H new ATOM 0 HD2 TYR C 39 -0.997 -1.327 1.653 1.00 1.09 H new ATOM 0 HE1 TYR C 39 3.237 -0.691 -0.771 1.00 1.12 H new ATOM 0 HE2 TYR C 39 0.609 0.371 2.406 1.00 1.09 H new ATOM 0 HH TYR C 39 2.752 1.729 0.821 1.00 0.17 H new ATOM 1479 N VAL C 40 -0.338 -1.504 -3.516 1.00 0.10 N ATOM 1480 CA VAL C 40 0.633 -1.275 -4.562 1.00 0.11 C ATOM 1481 C VAL C 40 1.380 0.026 -4.331 1.00 0.10 C ATOM 1482 O VAL C 40 0.871 0.948 -3.708 1.00 0.10 O ATOM 1483 CB VAL C 40 -0.057 -1.259 -5.935 1.00 0.12 C ATOM 1484 CG1 VAL C 40 -1.022 -0.114 -6.027 1.00 0.11 C ATOM 1485 CG2 VAL C 40 0.942 -1.191 -7.071 1.00 0.13 C ATOM 0 H VAL C 40 -0.979 -0.728 -3.351 1.00 0.10 H new ATOM 0 HA VAL C 40 1.356 -2.090 -4.542 1.00 0.11 H new ATOM 0 HB VAL C 40 -0.604 -2.197 -6.031 1.00 0.12 H new ATOM 0 HG11 VAL C 40 -1.501 -0.119 -7.006 1.00 0.11 H new ATOM 0 HG12 VAL C 40 -1.781 -0.215 -5.251 1.00 0.11 H new ATOM 0 HG13 VAL C 40 -0.486 0.825 -5.890 1.00 0.11 H new ATOM 0 HG21 VAL C 40 0.411 -1.182 -8.023 1.00 0.13 H new ATOM 0 HG22 VAL C 40 1.537 -0.282 -6.979 1.00 0.13 H new ATOM 0 HG23 VAL C 40 1.599 -2.060 -7.031 1.00 0.13 H new ATOM 1495 N GLY C 41 2.593 0.077 -4.818 1.00 0.10 N ATOM 1496 CA GLY C 41 3.380 1.271 -4.722 1.00 0.09 C ATOM 1497 C GLY C 41 3.942 1.666 -6.060 1.00 0.09 C ATOM 1498 O GLY C 41 3.880 0.893 -7.011 1.00 0.09 O ATOM 0 H GLY C 41 3.056 -0.701 -5.287 1.00 0.10 H new ATOM 0 HA2 GLY C 41 2.767 2.082 -4.329 1.00 0.09 H new ATOM 0 HA3 GLY C 41 4.195 1.116 -4.015 1.00 0.09 H new ATOM 1502 N SER C 42 4.514 2.847 -6.130 1.00 0.11 N ATOM 1503 CA SER C 42 5.077 3.342 -7.369 1.00 0.12 C ATOM 1504 C SER C 42 6.393 4.043 -7.079 1.00 0.15 C ATOM 1505 O SER C 42 6.464 4.956 -6.254 1.00 0.17 O ATOM 1506 CB SER C 42 4.092 4.272 -8.086 1.00 0.12 C ATOM 1507 OG SER C 42 4.578 4.663 -9.359 1.00 0.15 O ATOM 0 H SER C 42 4.602 3.486 -5.340 1.00 0.11 H new ATOM 0 HA SER C 42 5.268 2.503 -8.038 1.00 0.12 H new ATOM 0 HB2 SER C 42 3.132 3.768 -8.201 1.00 0.12 H new ATOM 0 HB3 SER C 42 3.916 5.157 -7.475 1.00 0.12 H new ATOM 0 HG SER C 42 3.926 5.254 -9.791 1.00 0.15 H new ATOM 1513 N LYS C 43 7.431 3.567 -7.737 1.00 0.16 N ATOM 1514 CA LYS C 43 8.784 4.028 -7.511 1.00 0.19 C ATOM 1515 C LYS C 43 9.049 5.325 -8.247 1.00 0.19 C ATOM 1516 O LYS C 43 9.150 5.340 -9.463 1.00 0.19 O ATOM 1517 CB LYS C 43 9.757 2.970 -7.996 1.00 0.20 C ATOM 1518 CG LYS C 43 11.185 3.266 -7.630 1.00 0.23 C ATOM 1519 CD LYS C 43 11.341 3.321 -6.132 1.00 0.28 C ATOM 1520 CE LYS C 43 12.758 3.576 -5.696 1.00 0.34 C ATOM 1521 NZ LYS C 43 13.459 4.569 -6.558 1.00 0.89 N ATOM 0 H LYS C 43 7.357 2.842 -8.451 1.00 0.16 H new ATOM 0 HA LYS C 43 8.916 4.205 -6.444 1.00 0.19 H new ATOM 0 HB2 LYS C 43 9.474 2.005 -7.576 1.00 0.20 H new ATOM 0 HB3 LYS C 43 9.677 2.882 -9.079 1.00 0.20 H new ATOM 0 HG2 LYS C 43 11.840 2.498 -8.043 1.00 0.23 H new ATOM 0 HG3 LYS C 43 11.491 4.216 -8.069 1.00 0.23 H new ATOM 0 HD2 LYS C 43 10.698 4.106 -5.734 1.00 0.28 H new ATOM 0 HD3 LYS C 43 10.999 2.380 -5.702 1.00 0.28 H new ATOM 0 HE2 LYS C 43 12.757 3.933 -4.666 1.00 0.34 H new ATOM 0 HE3 LYS C 43 13.311 2.637 -5.708 1.00 0.34 H new ATOM 0 HZ1 LYS C 43 14.340 4.871 -6.094 1.00 0.89 H new ATOM 0 HZ2 LYS C 43 13.682 4.135 -7.476 1.00 0.89 H new ATOM 0 HZ3 LYS C 43 12.845 5.395 -6.706 1.00 0.89 H new ATOM 1535 N THR C 44 9.199 6.402 -7.510 1.00 0.23 N ATOM 1536 CA THR C 44 9.299 7.719 -8.116 1.00 0.26 C ATOM 1537 C THR C 44 10.487 8.501 -7.539 1.00 0.34 C ATOM 1538 O THR C 44 11.459 7.898 -7.085 1.00 0.37 O ATOM 1539 CB THR C 44 7.998 8.525 -7.924 1.00 0.30 C ATOM 1540 OG1 THR C 44 7.916 9.046 -6.588 1.00 0.39 O ATOM 1541 CG2 THR C 44 6.767 7.676 -8.189 1.00 0.26 C ATOM 0 H THR C 44 9.255 6.397 -6.492 1.00 0.23 H new ATOM 0 HA THR C 44 9.460 7.573 -9.184 1.00 0.26 H new ATOM 0 HB THR C 44 8.026 9.344 -8.643 1.00 0.30 H new ATOM 0 HG1 THR C 44 7.085 9.556 -6.486 1.00 0.39 H new ATOM 0 HG21 THR C 44 5.871 8.279 -8.043 1.00 0.26 H new ATOM 0 HG22 THR C 44 6.793 7.307 -9.214 1.00 0.26 H new ATOM 0 HG23 THR C 44 6.752 6.832 -7.500 1.00 0.26 H new ATOM 1549 N LYS C 45 10.416 9.836 -7.572 1.00 0.40 N ATOM 1550 CA LYS C 45 11.475 10.678 -7.008 1.00 0.49 C ATOM 1551 C LYS C 45 11.517 10.562 -5.485 1.00 0.50 C ATOM 1552 O LYS C 45 12.593 10.501 -4.892 1.00 0.57 O ATOM 1553 CB LYS C 45 11.303 12.142 -7.428 1.00 0.59 C ATOM 1554 CG LYS C 45 11.939 12.477 -8.773 1.00 1.53 C ATOM 1555 CD LYS C 45 11.269 11.736 -9.919 1.00 2.10 C ATOM 1556 CE LYS C 45 12.014 11.930 -11.232 1.00 2.43 C ATOM 1557 NZ LYS C 45 12.083 13.357 -11.637 1.00 3.18 N ATOM 0 H LYS C 45 9.639 10.355 -7.982 1.00 0.40 H new ATOM 0 HA LYS C 45 12.424 10.319 -7.406 1.00 0.49 H new ATOM 0 HB2 LYS C 45 10.239 12.375 -7.472 1.00 0.59 H new ATOM 0 HB3 LYS C 45 11.738 12.783 -6.661 1.00 0.59 H new ATOM 0 HG2 LYS C 45 11.873 13.551 -8.948 1.00 1.53 H new ATOM 0 HG3 LYS C 45 12.999 12.222 -8.747 1.00 1.53 H new ATOM 0 HD2 LYS C 45 11.218 10.673 -9.684 1.00 2.10 H new ATOM 0 HD3 LYS C 45 10.243 12.087 -10.028 1.00 2.10 H new ATOM 0 HE2 LYS C 45 13.025 11.533 -11.136 1.00 2.43 H new ATOM 0 HE3 LYS C 45 11.520 11.356 -12.016 1.00 2.43 H new ATOM 0 HZ1 LYS C 45 12.493 13.428 -12.590 1.00 3.18 H new ATOM 0 HZ2 LYS C 45 11.126 13.764 -11.641 1.00 3.18 H new ATOM 0 HZ3 LYS C 45 12.679 13.880 -10.964 1.00 3.18 H new ATOM 1571 N GLU C 46 10.346 10.532 -4.850 1.00 0.47 N ATOM 1572 CA GLU C 46 10.274 10.207 -3.428 1.00 0.51 C ATOM 1573 C GLU C 46 10.584 8.728 -3.280 1.00 0.48 C ATOM 1574 O GLU C 46 11.210 8.286 -2.320 1.00 0.55 O ATOM 1575 CB GLU C 46 8.889 10.519 -2.859 1.00 0.51 C ATOM 1576 CG GLU C 46 8.498 11.983 -2.969 1.00 0.63 C ATOM 1577 CD GLU C 46 7.185 12.284 -2.278 1.00 0.73 C ATOM 1578 OE1 GLU C 46 6.121 12.091 -2.904 1.00 0.72 O ATOM 1579 OE2 GLU C 46 7.209 12.710 -1.102 1.00 0.88 O ATOM 0 H GLU C 46 9.447 10.726 -5.291 1.00 0.47 H new ATOM 0 HA GLU C 46 10.992 10.810 -2.873 1.00 0.51 H new ATOM 0 HB2 GLU C 46 8.147 9.914 -3.380 1.00 0.51 H new ATOM 0 HB3 GLU C 46 8.862 10.223 -1.810 1.00 0.51 H new ATOM 0 HG2 GLU C 46 9.284 12.600 -2.534 1.00 0.63 H new ATOM 0 HG3 GLU C 46 8.423 12.258 -4.021 1.00 0.63 H new ATOM 1586 N GLY C 47 10.108 7.984 -4.262 1.00 0.38 N ATOM 1587 CA GLY C 47 10.521 6.625 -4.480 1.00 0.40 C ATOM 1588 C GLY C 47 9.489 5.606 -4.072 1.00 0.31 C ATOM 1589 O GLY C 47 9.478 4.516 -4.601 1.00 0.38 O ATOM 0 H GLY C 47 9.417 8.318 -4.934 1.00 0.38 H new ATOM 0 HA2 GLY C 47 10.754 6.490 -5.536 1.00 0.40 H new ATOM 0 HA3 GLY C 47 11.441 6.440 -3.925 1.00 0.40 H new ATOM 1593 N VAL C 48 8.561 5.960 -3.218 1.00 0.21 N ATOM 1594 CA VAL C 48 7.516 5.015 -2.859 1.00 0.15 C ATOM 1595 C VAL C 48 6.237 5.743 -2.491 1.00 0.10 C ATOM 1596 O VAL C 48 6.220 6.572 -1.580 1.00 0.12 O ATOM 1597 CB VAL C 48 7.960 4.062 -1.707 1.00 0.15 C ATOM 1598 CG1 VAL C 48 6.795 3.283 -1.146 1.00 0.15 C ATOM 1599 CG2 VAL C 48 9.014 3.080 -2.183 1.00 0.20 C ATOM 0 H VAL C 48 8.501 6.871 -2.764 1.00 0.21 H new ATOM 0 HA VAL C 48 7.325 4.396 -3.735 1.00 0.15 H new ATOM 0 HB VAL C 48 8.376 4.697 -0.925 1.00 0.15 H new ATOM 0 HG11 VAL C 48 7.145 2.631 -0.346 1.00 0.15 H new ATOM 0 HG12 VAL C 48 6.051 3.975 -0.751 1.00 0.15 H new ATOM 0 HG13 VAL C 48 6.346 2.680 -1.936 1.00 0.15 H new ATOM 0 HG21 VAL C 48 9.304 2.429 -1.358 1.00 0.20 H new ATOM 0 HG22 VAL C 48 8.609 2.477 -2.996 1.00 0.20 H new ATOM 0 HG23 VAL C 48 9.888 3.627 -2.537 1.00 0.20 H new ATOM 1609 N VAL C 49 5.179 5.445 -3.222 1.00 0.09 N ATOM 1610 CA VAL C 49 3.856 5.914 -2.869 1.00 0.07 C ATOM 1611 C VAL C 49 2.975 4.722 -2.563 1.00 0.08 C ATOM 1612 O VAL C 49 3.107 3.671 -3.182 1.00 0.12 O ATOM 1613 CB VAL C 49 3.201 6.775 -3.975 1.00 0.07 C ATOM 1614 CG1 VAL C 49 3.008 5.981 -5.264 1.00 0.07 C ATOM 1615 CG2 VAL C 49 1.873 7.332 -3.480 1.00 0.09 C ATOM 0 H VAL C 49 5.213 4.877 -4.068 1.00 0.09 H new ATOM 0 HA VAL C 49 3.962 6.556 -1.994 1.00 0.07 H new ATOM 0 HB VAL C 49 3.871 7.604 -4.203 1.00 0.07 H new ATOM 0 HG11 VAL C 49 2.546 6.618 -6.018 1.00 0.07 H new ATOM 0 HG12 VAL C 49 3.976 5.634 -5.626 1.00 0.07 H new ATOM 0 HG13 VAL C 49 2.365 5.123 -5.070 1.00 0.07 H new ATOM 0 HG21 VAL C 49 1.417 7.937 -4.264 1.00 0.09 H new ATOM 0 HG22 VAL C 49 1.206 6.509 -3.223 1.00 0.09 H new ATOM 0 HG23 VAL C 49 2.043 7.949 -2.598 1.00 0.09 H new ATOM 1625 N HIS C 50 2.094 4.886 -1.606 1.00 0.08 N ATOM 1626 CA HIS C 50 1.240 3.802 -1.173 1.00 0.09 C ATOM 1627 C HIS C 50 -0.115 3.938 -1.838 1.00 0.07 C ATOM 1628 O HIS C 50 -0.878 4.862 -1.549 1.00 0.09 O ATOM 1629 CB HIS C 50 1.090 3.827 0.351 1.00 0.13 C ATOM 1630 CG HIS C 50 2.286 4.398 1.049 1.00 0.17 C ATOM 1631 ND1 HIS C 50 3.488 3.734 1.098 1.00 0.23 N ATOM 1632 CD2 HIS C 50 2.417 5.597 1.649 1.00 0.20 C ATOM 1633 CE1 HIS C 50 4.322 4.545 1.722 1.00 0.28 C ATOM 1634 NE2 HIS C 50 3.719 5.692 2.078 1.00 0.26 N ATOM 0 H HIS C 50 1.948 5.764 -1.109 1.00 0.08 H new ATOM 0 HA HIS C 50 1.687 2.850 -1.459 1.00 0.09 H new ATOM 0 HB2 HIS C 50 0.209 4.413 0.614 1.00 0.13 H new ATOM 0 HB3 HIS C 50 0.917 2.812 0.710 1.00 0.13 H new ATOM 0 HD2 HIS C 50 1.645 6.342 1.770 1.00 0.20 H new ATOM 0 HE1 HIS C 50 5.358 4.316 1.921 1.00 0.28 H new ATOM 0 HE2 HIS C 50 4.144 6.478 2.570 1.00 0.26 H new ATOM 1642 N GLY C 51 -0.387 3.043 -2.758 1.00 0.06 N ATOM 1643 CA GLY C 51 -1.647 3.048 -3.442 1.00 0.05 C ATOM 1644 C GLY C 51 -2.336 1.718 -3.329 1.00 0.06 C ATOM 1645 O GLY C 51 -1.860 0.822 -2.628 1.00 0.07 O ATOM 0 H GLY C 51 0.253 2.303 -3.047 1.00 0.06 H new ATOM 0 HA2 GLY C 51 -2.286 3.827 -3.026 1.00 0.05 H new ATOM 0 HA3 GLY C 51 -1.491 3.291 -4.493 1.00 0.05 H new ATOM 1649 N VAL C 52 -3.443 1.570 -4.022 1.00 0.07 N ATOM 1650 CA VAL C 52 -4.215 0.356 -3.927 1.00 0.08 C ATOM 1651 C VAL C 52 -4.758 -0.053 -5.275 1.00 0.09 C ATOM 1652 O VAL C 52 -5.280 0.772 -6.015 1.00 0.09 O ATOM 1653 CB VAL C 52 -5.362 0.468 -2.867 1.00 0.08 C ATOM 1654 CG1 VAL C 52 -5.644 1.912 -2.467 1.00 0.08 C ATOM 1655 CG2 VAL C 52 -6.651 -0.159 -3.357 1.00 0.08 C ATOM 0 H VAL C 52 -3.826 2.273 -4.654 1.00 0.07 H new ATOM 0 HA VAL C 52 -3.537 -0.426 -3.584 1.00 0.08 H new ATOM 0 HB VAL C 52 -5.003 -0.078 -1.994 1.00 0.08 H new ATOM 0 HG11 VAL C 52 -6.447 1.935 -1.730 1.00 0.08 H new ATOM 0 HG12 VAL C 52 -4.744 2.353 -2.037 1.00 0.08 H new ATOM 0 HG13 VAL C 52 -5.942 2.482 -3.347 1.00 0.08 H new ATOM 0 HG21 VAL C 52 -7.419 -0.058 -2.590 1.00 0.08 H new ATOM 0 HG22 VAL C 52 -6.978 0.345 -4.266 1.00 0.08 H new ATOM 0 HG23 VAL C 52 -6.485 -1.215 -3.568 1.00 0.08 H new ATOM 1665 N ALA C 53 -4.625 -1.331 -5.592 1.00 0.10 N ATOM 1666 CA ALA C 53 -5.158 -1.849 -6.822 1.00 0.10 C ATOM 1667 C ALA C 53 -6.425 -2.615 -6.504 1.00 0.09 C ATOM 1668 O ALA C 53 -6.379 -3.707 -5.951 1.00 0.12 O ATOM 1669 CB ALA C 53 -4.137 -2.750 -7.502 1.00 0.11 C ATOM 0 H ALA C 53 -4.151 -2.021 -5.009 1.00 0.10 H new ATOM 0 HA ALA C 53 -5.385 -1.033 -7.508 1.00 0.10 H new ATOM 0 HB1 ALA C 53 -4.554 -3.135 -8.432 1.00 0.11 H new ATOM 0 HB2 ALA C 53 -3.234 -2.179 -7.718 1.00 0.11 H new ATOM 0 HB3 ALA C 53 -3.890 -3.582 -6.843 1.00 0.11 H new ATOM 1675 N THR C 54 -7.554 -2.045 -6.846 1.00 0.09 N ATOM 1676 CA THR C 54 -8.822 -2.636 -6.448 1.00 0.12 C ATOM 1677 C THR C 54 -9.249 -3.688 -7.452 1.00 0.19 C ATOM 1678 O THR C 54 -9.562 -3.385 -8.601 1.00 0.45 O ATOM 1679 CB THR C 54 -9.923 -1.573 -6.271 1.00 0.14 C ATOM 1680 OG1 THR C 54 -11.225 -2.178 -6.262 1.00 0.23 O ATOM 1681 CG2 THR C 54 -9.837 -0.533 -7.366 1.00 0.14 C ATOM 0 H THR C 54 -7.629 -1.186 -7.390 1.00 0.09 H new ATOM 0 HA THR C 54 -8.675 -3.111 -5.478 1.00 0.12 H new ATOM 0 HB THR C 54 -9.767 -1.084 -5.310 1.00 0.14 H new ATOM 0 HG1 THR C 54 -11.907 -1.484 -6.147 1.00 0.23 H new ATOM 0 HG21 THR C 54 -10.622 0.210 -7.225 1.00 0.14 H new ATOM 0 HG22 THR C 54 -8.864 -0.044 -7.328 1.00 0.14 H new ATOM 0 HG23 THR C 54 -9.963 -1.014 -8.336 1.00 0.14 H new ATOM 1689 N VAL C 55 -9.270 -4.922 -6.994 1.00 0.23 N ATOM 1690 CA VAL C 55 -9.524 -6.054 -7.852 1.00 0.29 C ATOM 1691 C VAL C 55 -10.949 -6.553 -7.674 1.00 0.36 C ATOM 1692 O VAL C 55 -11.390 -6.841 -6.561 1.00 0.35 O ATOM 1693 CB VAL C 55 -8.507 -7.187 -7.587 1.00 0.29 C ATOM 1694 CG1 VAL C 55 -8.315 -7.417 -6.088 1.00 0.23 C ATOM 1695 CG2 VAL C 55 -8.931 -8.470 -8.286 1.00 0.39 C ATOM 0 H VAL C 55 -9.111 -5.166 -6.016 1.00 0.23 H new ATOM 0 HA VAL C 55 -9.403 -5.730 -8.886 1.00 0.29 H new ATOM 0 HB VAL C 55 -7.547 -6.879 -8.001 1.00 0.29 H new ATOM 0 HG11 VAL C 55 -7.594 -8.220 -5.932 1.00 0.23 H new ATOM 0 HG12 VAL C 55 -7.946 -6.503 -5.624 1.00 0.23 H new ATOM 0 HG13 VAL C 55 -9.268 -7.693 -5.637 1.00 0.23 H new ATOM 0 HG21 VAL C 55 -8.200 -9.253 -8.085 1.00 0.39 H new ATOM 0 HG22 VAL C 55 -9.907 -8.781 -7.914 1.00 0.39 H new ATOM 0 HG23 VAL C 55 -8.990 -8.296 -9.360 1.00 0.39 H new ATOM 1705 N ALA C 56 -11.661 -6.649 -8.779 1.00 0.49 N ATOM 1706 CA ALA C 56 -13.053 -7.049 -8.762 1.00 0.64 C ATOM 1707 C ALA C 56 -13.182 -8.549 -8.976 1.00 0.75 C ATOM 1708 O ALA C 56 -13.398 -9.277 -7.984 1.00 1.43 O ATOM 1709 CB ALA C 56 -13.813 -6.287 -9.829 1.00 0.86 C ATOM 1710 OXT ALA C 56 -13.047 -8.998 -10.131 1.00 1.16 O ATOM 0 H ALA C 56 -11.293 -6.453 -9.710 1.00 0.49 H new ATOM 0 HA ALA C 56 -13.480 -6.813 -7.787 1.00 0.64 H new ATOM 0 HB1 ALA C 56 -14.860 -6.589 -9.815 1.00 0.86 H new ATOM 0 HB2 ALA C 56 -13.741 -5.217 -9.633 1.00 0.86 H new ATOM 0 HB3 ALA C 56 -13.385 -6.506 -10.807 1.00 0.86 H new