USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1001 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 115 TYR OH : rot -60:sc= -0.436 USER MOD Set 1.2: A 121 TYR OH : rot 130:sc= -0.161 USER MOD Set 2.1: A 64 TYR OH : rot 57:sc= 0.464 USER MOD Set 2.2: A 81 ASN : amide:sc= -0.335 K(o=-0.34,f=-1.3) USER MOD Set 2.3: A 84 HIS : no HD1:sc= -0.464 K(o=-0.34,f=-2.9) USER MOD Set 3.1: A 50 SER OG : rot -96:sc= 0.00844 USER MOD Set 3.2: A 128 ASN : amide:sc= 0.0103 K(o=0.019,f=-0.77) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.331 K(o=0.33,f=-7.8!) USER MOD Single : A 22 TYR OH : rot 110:sc= 0.0443 USER MOD Single : A 24 GLN : amide:sc= -1.88 K(o=-1.9,f=-3.6!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot -30:sc= -0.0389 USER MOD Single : A 32 MET CE :methyl -169:sc= 0 (180deg=-0.131) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.406 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 80:sc= 0.434 USER MOD Single : A 61 SER OG : rot -90:sc= 1.31 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -0.622 K(o=-0.62,f=-2) USER MOD Single : A 71 ASN : amide:sc= 0.196 X(o=0.2,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.344 K(o=-0.34,f=-1.1) USER MOD Single : A 74 HIS :FLIP no HE2:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 75 ASN : amide:sc= -0.592 K(o=-0.59,f=-1.4) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 99 HIS : no HE2:sc= -0.202 K(o=-0.19,f=-1.1) USER MOD Single : A 102 THR OG1 : rot 70:sc= 0.983 USER MOD Single : A 103 TYR OH : rot 131:sc= 1.21 USER MOD Single : A 104 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=0.002) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.397 X(o=-0.4,f=0) USER MOD Single : A 108 TYR OH : rot -163:sc= 0.928 USER MOD Single : A 113 ASN :FLIP amide:sc= -0.0589 F(o=-1.8,f=-0.059) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 44:sc= 0.925 USER MOD Single : A 122 THR OG1 : rot 74:sc= 0.161 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 11.031 -8.168 -8.499 1.00 64.14 N ATOM 21 CA PRO A 2 9.675 -8.150 -7.900 1.00 43.33 C ATOM 22 C PRO A 2 9.227 -9.539 -7.359 1.00 75.41 C ATOM 23 O PRO A 2 9.806 -10.577 -7.708 1.00 35.44 O ATOM 24 CB PRO A 2 8.819 -7.698 -9.100 1.00 50.40 C ATOM 25 CG PRO A 2 9.463 -8.369 -10.288 1.00 2.21 C ATOM 26 CD PRO A 2 10.957 -8.454 -9.969 1.00 13.53 C ATOM 0 HA PRO A 2 9.600 -7.508 -7.023 1.00 43.33 H new ATOM 0 HB2 PRO A 2 7.779 -8.004 -8.985 1.00 50.40 H new ATOM 0 HB3 PRO A 2 8.822 -6.613 -9.205 1.00 50.40 H new ATOM 0 HG2 PRO A 2 9.042 -9.361 -10.451 1.00 2.21 H new ATOM 0 HG3 PRO A 2 9.291 -7.797 -11.199 1.00 2.21 H new ATOM 0 HD2 PRO A 2 11.360 -9.439 -10.205 1.00 13.53 H new ATOM 0 HD3 PRO A 2 11.530 -7.728 -10.546 1.00 13.53 H new ATOM 34 N LEU A 3 8.211 -9.540 -6.479 1.00 71.22 N ATOM 35 CA LEU A 3 7.578 -10.780 -5.976 1.00 65.14 C ATOM 36 C LEU A 3 6.155 -10.880 -6.577 1.00 21.41 C ATOM 37 O LEU A 3 5.311 -10.045 -6.290 1.00 45.25 O ATOM 38 CB LEU A 3 7.537 -10.793 -4.409 1.00 3.34 C ATOM 39 CG LEU A 3 7.696 -12.193 -3.699 1.00 53.52 C ATOM 40 CD1 LEU A 3 7.487 -12.066 -2.177 1.00 71.11 C ATOM 41 CD2 LEU A 3 6.773 -13.287 -4.300 1.00 11.10 C ATOM 0 H LEU A 3 7.804 -8.687 -6.095 1.00 71.22 H new ATOM 0 HA LEU A 3 8.164 -11.646 -6.283 1.00 65.14 H new ATOM 0 HB2 LEU A 3 8.327 -10.137 -4.044 1.00 3.34 H new ATOM 0 HB3 LEU A 3 6.589 -10.358 -4.091 1.00 3.34 H new ATOM 0 HG LEU A 3 8.719 -12.519 -3.884 1.00 53.52 H new ATOM 0 HD11 LEU A 3 7.602 -13.045 -1.711 1.00 71.11 H new ATOM 0 HD12 LEU A 3 8.226 -11.379 -1.764 1.00 71.11 H new ATOM 0 HD13 LEU A 3 6.486 -11.685 -1.978 1.00 71.11 H new ATOM 0 HD21 LEU A 3 6.929 -14.226 -3.769 1.00 11.10 H new ATOM 0 HD22 LEU A 3 5.732 -12.981 -4.198 1.00 11.10 H new ATOM 0 HD23 LEU A 3 7.009 -13.423 -5.355 1.00 11.10 H new ATOM 53 N GLU A 4 5.885 -11.919 -7.377 1.00 43.34 N ATOM 54 CA GLU A 4 4.608 -12.047 -8.124 1.00 4.14 C ATOM 55 C GLU A 4 3.784 -13.253 -7.629 1.00 60.32 C ATOM 56 O GLU A 4 4.328 -14.332 -7.381 1.00 64.30 O ATOM 57 CB GLU A 4 4.891 -12.194 -9.643 1.00 64.22 C ATOM 58 CG GLU A 4 3.633 -12.338 -10.525 1.00 31.11 C ATOM 59 CD GLU A 4 3.968 -12.515 -12.012 1.00 64.12 C ATOM 60 OE1 GLU A 4 4.328 -11.520 -12.673 1.00 15.33 O ATOM 61 OE2 GLU A 4 3.890 -13.653 -12.525 1.00 52.22 O ATOM 0 H GLU A 4 6.532 -12.692 -7.530 1.00 43.34 H new ATOM 0 HA GLU A 4 4.027 -11.142 -7.947 1.00 4.14 H new ATOM 0 HB2 GLU A 4 5.455 -11.324 -9.979 1.00 64.22 H new ATOM 0 HB3 GLU A 4 5.527 -13.066 -9.797 1.00 64.22 H new ATOM 0 HG2 GLU A 4 3.051 -13.194 -10.184 1.00 31.11 H new ATOM 0 HG3 GLU A 4 3.005 -11.456 -10.401 1.00 31.11 H new ATOM 68 N TRP A 5 2.463 -13.053 -7.496 1.00 2.42 N ATOM 69 CA TRP A 5 1.501 -14.125 -7.200 1.00 75.20 C ATOM 70 C TRP A 5 0.790 -14.585 -8.485 1.00 52.00 C ATOM 71 O TRP A 5 0.529 -13.789 -9.391 1.00 71.21 O ATOM 72 CB TRP A 5 0.444 -13.671 -6.165 1.00 71.21 C ATOM 73 CG TRP A 5 -0.403 -14.812 -5.646 1.00 20.21 C ATOM 74 CD1 TRP A 5 0.046 -15.921 -4.985 1.00 13.15 C ATOM 75 CD2 TRP A 5 -1.824 -14.961 -5.742 1.00 44.33 C ATOM 76 NE1 TRP A 5 -0.998 -16.749 -4.693 1.00 11.32 N ATOM 77 CE2 TRP A 5 -2.156 -16.183 -5.137 1.00 20.42 C ATOM 78 CE3 TRP A 5 -2.842 -14.180 -6.290 1.00 53.41 C ATOM 79 CZ2 TRP A 5 -3.462 -16.647 -5.056 1.00 33.42 C ATOM 80 CZ3 TRP A 5 -4.139 -14.639 -6.209 1.00 42.33 C ATOM 81 CH2 TRP A 5 -4.443 -15.864 -5.596 1.00 72.44 C ATOM 0 H TRP A 5 2.030 -12.135 -7.592 1.00 2.42 H new ATOM 0 HA TRP A 5 2.065 -14.957 -6.778 1.00 75.20 H new ATOM 0 HB2 TRP A 5 0.948 -13.189 -5.327 1.00 71.21 H new ATOM 0 HB3 TRP A 5 -0.204 -12.922 -6.620 1.00 71.21 H new ATOM 0 HD1 TRP A 5 1.078 -16.114 -4.731 1.00 13.15 H new ATOM 0 HE1 TRP A 5 -0.924 -17.649 -4.218 1.00 11.32 H new ATOM 0 HE3 TRP A 5 -2.619 -13.237 -6.767 1.00 53.41 H new ATOM 0 HZ2 TRP A 5 -3.694 -17.591 -4.584 1.00 33.42 H new ATOM 0 HZ3 TRP A 5 -4.938 -14.044 -6.626 1.00 42.33 H new ATOM 0 HH2 TRP A 5 -5.470 -16.194 -5.550 1.00 72.44 H new ATOM 92 N ARG A 6 0.496 -15.883 -8.545 1.00 25.34 N ATOM 93 CA ARG A 6 -0.269 -16.509 -9.636 1.00 3.03 C ATOM 94 C ARG A 6 -1.309 -17.490 -9.059 1.00 73.01 C ATOM 95 O ARG A 6 -1.161 -17.971 -7.929 1.00 33.14 O ATOM 96 CB ARG A 6 0.683 -17.221 -10.657 1.00 72.01 C ATOM 97 CG ARG A 6 1.722 -18.221 -10.061 1.00 54.34 C ATOM 98 CD ARG A 6 2.943 -17.530 -9.403 1.00 63.03 C ATOM 99 NE ARG A 6 3.923 -18.493 -8.873 1.00 41.11 N ATOM 100 CZ ARG A 6 4.925 -18.200 -8.065 1.00 34.11 C ATOM 101 NH1 ARG A 6 5.129 -16.996 -7.632 1.00 63.21 N ATOM 102 NH2 ARG A 6 5.742 -19.129 -7.711 1.00 65.32 N ATOM 0 H ARG A 6 0.786 -16.546 -7.826 1.00 25.34 H new ATOM 0 HA ARG A 6 -0.800 -15.728 -10.180 1.00 3.03 H new ATOM 0 HB2 ARG A 6 0.068 -17.758 -11.379 1.00 72.01 H new ATOM 0 HB3 ARG A 6 1.226 -16.454 -11.209 1.00 72.01 H new ATOM 0 HG2 ARG A 6 1.226 -18.847 -9.319 1.00 54.34 H new ATOM 0 HG3 ARG A 6 2.073 -18.882 -10.853 1.00 54.34 H new ATOM 0 HD2 ARG A 6 3.431 -16.888 -10.136 1.00 63.03 H new ATOM 0 HD3 ARG A 6 2.599 -16.886 -8.594 1.00 63.03 H new ATOM 0 HE ARG A 6 3.819 -19.468 -9.154 1.00 41.11 H new ATOM 0 HH11 ARG A 6 4.505 -16.240 -7.915 1.00 63.21 H new ATOM 0 HH12 ARG A 6 5.913 -16.804 -7.008 1.00 63.21 H new ATOM 0 HH21 ARG A 6 5.612 -20.081 -8.054 1.00 65.32 H new ATOM 0 HH22 ARG A 6 6.520 -18.914 -7.087 1.00 65.32 H new ATOM 116 N ALA A 7 -2.363 -17.776 -9.839 1.00 54.45 N ATOM 117 CA ALA A 7 -3.395 -18.764 -9.460 1.00 23.04 C ATOM 118 C ALA A 7 -2.794 -20.193 -9.428 1.00 24.05 C ATOM 119 O ALA A 7 -2.076 -20.590 -10.355 1.00 12.32 O ATOM 120 CB ALA A 7 -4.585 -18.680 -10.428 1.00 24.22 C ATOM 0 H ALA A 7 -2.527 -17.335 -10.744 1.00 54.45 H new ATOM 0 HA ALA A 7 -3.755 -18.534 -8.457 1.00 23.04 H new ATOM 0 HB1 ALA A 7 -5.340 -19.412 -10.141 1.00 24.22 H new ATOM 0 HB2 ALA A 7 -5.016 -17.680 -10.389 1.00 24.22 H new ATOM 0 HB3 ALA A 7 -4.245 -18.889 -11.442 1.00 24.22 H new ATOM 126 N GLY A 8 -3.074 -20.948 -8.347 1.00 63.31 N ATOM 127 CA GLY A 8 -2.469 -22.278 -8.138 1.00 0.22 C ATOM 128 C GLY A 8 -1.171 -22.247 -7.310 1.00 5.34 C ATOM 129 O GLY A 8 -0.604 -23.307 -7.023 1.00 5.25 O ATOM 0 H GLY A 8 -3.714 -20.660 -7.607 1.00 63.31 H new ATOM 0 HA2 GLY A 8 -3.193 -22.922 -7.638 1.00 0.22 H new ATOM 0 HA3 GLY A 8 -2.259 -22.728 -9.108 1.00 0.22 H new ATOM 133 N ALA A 9 -0.699 -21.030 -6.931 1.00 51.44 N ATOM 134 CA ALA A 9 0.524 -20.845 -6.100 1.00 63.31 C ATOM 135 C ALA A 9 0.345 -21.416 -4.669 1.00 53.44 C ATOM 136 O ALA A 9 -0.775 -21.483 -4.149 1.00 64.14 O ATOM 137 CB ALA A 9 0.925 -19.356 -6.040 1.00 10.23 C ATOM 0 H ALA A 9 -1.151 -20.153 -7.190 1.00 51.44 H new ATOM 0 HA ALA A 9 1.327 -21.406 -6.579 1.00 63.31 H new ATOM 0 HB1 ALA A 9 1.820 -19.245 -5.428 1.00 10.23 H new ATOM 0 HB2 ALA A 9 1.127 -18.993 -7.048 1.00 10.23 H new ATOM 0 HB3 ALA A 9 0.112 -18.778 -5.602 1.00 10.23 H new ATOM 143 N SER A 10 1.472 -21.791 -4.034 1.00 11.41 N ATOM 144 CA SER A 10 1.478 -22.505 -2.731 1.00 65.30 C ATOM 145 C SER A 10 1.297 -21.539 -1.540 1.00 1.44 C ATOM 146 O SER A 10 1.497 -20.325 -1.671 1.00 62.12 O ATOM 147 CB SER A 10 2.805 -23.290 -2.570 1.00 62.42 C ATOM 148 OG SER A 10 2.967 -24.243 -3.608 1.00 2.34 O ATOM 0 H SER A 10 2.405 -21.611 -4.404 1.00 11.41 H new ATOM 0 HA SER A 10 0.634 -23.194 -2.729 1.00 65.30 H new ATOM 0 HB2 SER A 10 3.645 -22.595 -2.577 1.00 62.42 H new ATOM 0 HB3 SER A 10 2.817 -23.795 -1.604 1.00 62.42 H new ATOM 0 HG SER A 10 3.813 -24.722 -3.483 1.00 2.34 H new ATOM 154 N SER A 11 0.920 -22.110 -0.376 1.00 54.03 N ATOM 155 CA SER A 11 0.704 -21.354 0.891 1.00 55.02 C ATOM 156 C SER A 11 1.982 -20.612 1.337 1.00 34.52 C ATOM 157 O SER A 11 1.910 -19.488 1.831 1.00 0.31 O ATOM 158 CB SER A 11 0.244 -22.317 2.007 1.00 61.41 C ATOM 159 OG SER A 11 1.204 -23.342 2.220 1.00 15.22 O ATOM 0 H SER A 11 0.754 -23.112 -0.281 1.00 54.03 H new ATOM 0 HA SER A 11 -0.070 -20.609 0.705 1.00 55.02 H new ATOM 0 HB2 SER A 11 0.089 -21.761 2.932 1.00 61.41 H new ATOM 0 HB3 SER A 11 -0.714 -22.761 1.737 1.00 61.41 H new ATOM 0 HG SER A 11 0.893 -23.939 2.932 1.00 15.22 H new ATOM 165 N ASP A 12 3.144 -21.261 1.123 1.00 0.14 N ATOM 166 CA ASP A 12 4.479 -20.681 1.400 1.00 51.24 C ATOM 167 C ASP A 12 4.692 -19.366 0.618 1.00 41.12 C ATOM 168 O ASP A 12 5.216 -18.390 1.161 1.00 41.40 O ATOM 169 CB ASP A 12 5.583 -21.690 1.009 1.00 52.23 C ATOM 170 CG ASP A 12 5.398 -23.050 1.686 1.00 51.11 C ATOM 171 OD1 ASP A 12 4.698 -23.916 1.116 1.00 32.10 O ATOM 172 OD2 ASP A 12 5.926 -23.260 2.795 1.00 43.25 O ATOM 0 H ASP A 12 3.186 -22.210 0.750 1.00 0.14 H new ATOM 0 HA ASP A 12 4.534 -20.464 2.467 1.00 51.24 H new ATOM 0 HB2 ASP A 12 5.583 -21.823 -0.073 1.00 52.23 H new ATOM 0 HB3 ASP A 12 6.557 -21.282 1.280 1.00 52.23 H new ATOM 177 N GLU A 13 4.272 -19.374 -0.665 1.00 32.43 N ATOM 178 CA GLU A 13 4.399 -18.210 -1.570 1.00 43.05 C ATOM 179 C GLU A 13 3.535 -17.035 -1.086 1.00 2.23 C ATOM 180 O GLU A 13 4.023 -15.915 -0.971 1.00 44.53 O ATOM 181 CB GLU A 13 4.004 -18.588 -3.026 1.00 32.14 C ATOM 182 CG GLU A 13 4.769 -19.792 -3.610 1.00 41.30 C ATOM 183 CD GLU A 13 6.296 -19.614 -3.581 1.00 22.00 C ATOM 184 OE1 GLU A 13 6.838 -18.901 -4.449 1.00 72.04 O ATOM 185 OE2 GLU A 13 6.961 -20.195 -2.688 1.00 65.42 O ATOM 0 H GLU A 13 3.836 -20.186 -1.103 1.00 32.43 H new ATOM 0 HA GLU A 13 5.445 -17.903 -1.559 1.00 43.05 H new ATOM 0 HB2 GLU A 13 2.936 -18.806 -3.053 1.00 32.14 H new ATOM 0 HB3 GLU A 13 4.170 -17.723 -3.669 1.00 32.14 H new ATOM 0 HG2 GLU A 13 4.504 -20.689 -3.050 1.00 41.30 H new ATOM 0 HG3 GLU A 13 4.448 -19.953 -4.639 1.00 41.30 H new ATOM 192 N ILE A 14 2.253 -17.324 -0.782 1.00 41.51 N ATOM 193 CA ILE A 14 1.279 -16.297 -0.360 1.00 25.41 C ATOM 194 C ILE A 14 1.689 -15.644 0.984 1.00 53.11 C ATOM 195 O ILE A 14 1.614 -14.433 1.126 1.00 71.10 O ATOM 196 CB ILE A 14 -0.184 -16.870 -0.248 1.00 31.14 C ATOM 197 CG1 ILE A 14 -0.586 -17.610 -1.565 1.00 15.53 C ATOM 198 CG2 ILE A 14 -1.195 -15.739 0.086 1.00 0.41 C ATOM 199 CD1 ILE A 14 -2.015 -18.138 -1.614 1.00 52.31 C ATOM 0 H ILE A 14 1.867 -18.267 -0.822 1.00 41.51 H new ATOM 0 HA ILE A 14 1.285 -15.535 -1.140 1.00 25.41 H new ATOM 0 HB ILE A 14 -0.208 -17.592 0.568 1.00 31.14 H new ATOM 0 HG12 ILE A 14 -0.441 -16.928 -2.403 1.00 15.53 H new ATOM 0 HG13 ILE A 14 0.097 -18.447 -1.713 1.00 15.53 H new ATOM 0 HG21 ILE A 14 -2.199 -16.158 0.158 1.00 0.41 H new ATOM 0 HG22 ILE A 14 -0.925 -15.278 1.036 1.00 0.41 H new ATOM 0 HG23 ILE A 14 -1.172 -14.986 -0.702 1.00 0.41 H new ATOM 0 HD11 ILE A 14 -2.187 -18.633 -2.570 1.00 52.31 H new ATOM 0 HD12 ILE A 14 -2.167 -18.851 -0.804 1.00 52.31 H new ATOM 0 HD13 ILE A 14 -2.713 -17.308 -1.504 1.00 52.31 H new ATOM 211 N ASN A 15 2.137 -16.470 1.952 1.00 41.15 N ATOM 212 CA ASN A 15 2.606 -15.987 3.278 1.00 75.14 C ATOM 213 C ASN A 15 3.906 -15.153 3.160 1.00 71.32 C ATOM 214 O ASN A 15 4.103 -14.190 3.916 1.00 43.40 O ATOM 215 CB ASN A 15 2.805 -17.173 4.251 1.00 62.23 C ATOM 216 CG ASN A 15 1.505 -17.919 4.558 1.00 40.21 C ATOM 217 OD1 ASN A 15 0.417 -17.349 4.545 1.00 53.45 O ATOM 218 ND2 ASN A 15 1.607 -19.196 4.840 1.00 1.10 N ATOM 0 H ASN A 15 2.186 -17.483 1.843 1.00 41.15 H new ATOM 0 HA ASN A 15 1.833 -15.332 3.679 1.00 75.14 H new ATOM 0 HB2 ASN A 15 3.525 -17.870 3.823 1.00 62.23 H new ATOM 0 HB3 ASN A 15 3.234 -16.804 5.182 1.00 62.23 H new ATOM 0 HD21 ASN A 15 0.771 -19.739 5.055 1.00 1.10 H new ATOM 0 HD22 ASN A 15 2.522 -19.646 4.844 1.00 1.10 H new ATOM 225 N ALA A 16 4.780 -15.532 2.206 1.00 62.22 N ATOM 226 CA ALA A 16 5.999 -14.754 1.867 1.00 42.24 C ATOM 227 C ALA A 16 5.625 -13.361 1.312 1.00 75.12 C ATOM 228 O ALA A 16 6.247 -12.357 1.663 1.00 4.13 O ATOM 229 CB ALA A 16 6.866 -15.520 0.851 1.00 73.44 C ATOM 0 H ALA A 16 4.666 -16.379 1.650 1.00 62.22 H new ATOM 0 HA ALA A 16 6.576 -14.615 2.781 1.00 42.24 H new ATOM 0 HB1 ALA A 16 7.754 -14.934 0.615 1.00 73.44 H new ATOM 0 HB2 ALA A 16 7.166 -16.477 1.277 1.00 73.44 H new ATOM 0 HB3 ALA A 16 6.293 -15.692 -0.060 1.00 73.44 H new ATOM 235 N ILE A 17 4.589 -13.340 0.450 1.00 3.14 N ATOM 236 CA ILE A 17 4.005 -12.105 -0.126 1.00 20.42 C ATOM 237 C ILE A 17 3.397 -11.209 0.972 1.00 33.35 C ATOM 238 O ILE A 17 3.636 -10.010 0.985 1.00 74.10 O ATOM 239 CB ILE A 17 2.918 -12.474 -1.210 1.00 42.44 C ATOM 240 CG1 ILE A 17 3.610 -13.135 -2.441 1.00 72.04 C ATOM 241 CG2 ILE A 17 2.051 -11.256 -1.632 1.00 23.55 C ATOM 242 CD1 ILE A 17 2.672 -13.781 -3.433 1.00 4.24 C ATOM 0 H ILE A 17 4.126 -14.190 0.128 1.00 3.14 H new ATOM 0 HA ILE A 17 4.805 -11.541 -0.607 1.00 20.42 H new ATOM 0 HB ILE A 17 2.228 -13.188 -0.760 1.00 42.44 H new ATOM 0 HG12 ILE A 17 4.196 -12.376 -2.960 1.00 72.04 H new ATOM 0 HG13 ILE A 17 4.311 -13.889 -2.083 1.00 72.04 H new ATOM 0 HG21 ILE A 17 1.322 -11.570 -2.379 1.00 23.55 H new ATOM 0 HG22 ILE A 17 1.530 -10.860 -0.760 1.00 23.55 H new ATOM 0 HG23 ILE A 17 2.692 -10.482 -2.054 1.00 23.55 H new ATOM 0 HD11 ILE A 17 3.249 -14.212 -4.252 1.00 4.24 H new ATOM 0 HD12 ILE A 17 2.103 -14.567 -2.937 1.00 4.24 H new ATOM 0 HD13 ILE A 17 1.987 -13.031 -3.827 1.00 4.24 H new ATOM 254 N ILE A 18 2.635 -11.825 1.895 1.00 61.41 N ATOM 255 CA ILE A 18 2.013 -11.131 3.046 1.00 34.30 C ATOM 256 C ILE A 18 3.067 -10.362 3.868 1.00 43.41 C ATOM 257 O ILE A 18 2.940 -9.158 4.075 1.00 2.22 O ATOM 258 CB ILE A 18 1.232 -12.157 3.959 1.00 0.34 C ATOM 259 CG1 ILE A 18 -0.018 -12.717 3.204 1.00 0.12 C ATOM 260 CG2 ILE A 18 0.826 -11.546 5.332 1.00 13.45 C ATOM 261 CD1 ILE A 18 -0.682 -13.904 3.868 1.00 11.31 C ATOM 0 H ILE A 18 2.430 -12.824 1.866 1.00 61.41 H new ATOM 0 HA ILE A 18 1.299 -10.406 2.655 1.00 34.30 H new ATOM 0 HB ILE A 18 1.913 -12.980 4.174 1.00 0.34 H new ATOM 0 HG12 ILE A 18 -0.752 -11.918 3.103 1.00 0.12 H new ATOM 0 HG13 ILE A 18 0.282 -13.003 2.196 1.00 0.12 H new ATOM 0 HG21 ILE A 18 0.292 -12.293 5.919 1.00 13.45 H new ATOM 0 HG22 ILE A 18 1.721 -11.233 5.870 1.00 13.45 H new ATOM 0 HG23 ILE A 18 0.180 -10.683 5.170 1.00 13.45 H new ATOM 0 HD11 ILE A 18 -1.538 -14.222 3.273 1.00 11.31 H new ATOM 0 HD12 ILE A 18 0.032 -14.724 3.945 1.00 11.31 H new ATOM 0 HD13 ILE A 18 -1.019 -13.622 4.866 1.00 11.31 H new ATOM 273 N ARG A 19 4.127 -11.069 4.285 1.00 11.42 N ATOM 274 CA ARG A 19 5.201 -10.480 5.101 1.00 14.33 C ATOM 275 C ARG A 19 6.056 -9.469 4.290 1.00 75.21 C ATOM 276 O ARG A 19 6.610 -8.518 4.858 1.00 15.33 O ATOM 277 CB ARG A 19 6.088 -11.593 5.700 1.00 72.34 C ATOM 278 CG ARG A 19 7.028 -11.093 6.813 1.00 11.35 C ATOM 279 CD ARG A 19 7.845 -12.209 7.471 1.00 13.24 C ATOM 280 NE ARG A 19 6.997 -13.324 7.949 1.00 51.42 N ATOM 281 CZ ARG A 19 6.623 -13.538 9.195 1.00 10.54 C ATOM 282 NH1 ARG A 19 6.946 -12.722 10.149 1.00 22.31 N ATOM 283 NH2 ARG A 19 5.902 -14.570 9.475 1.00 70.33 N ATOM 0 H ARG A 19 4.265 -12.056 4.069 1.00 11.42 H new ATOM 0 HA ARG A 19 4.734 -9.925 5.915 1.00 14.33 H new ATOM 0 HB2 ARG A 19 5.449 -12.380 6.100 1.00 72.34 H new ATOM 0 HB3 ARG A 19 6.684 -12.040 4.904 1.00 72.34 H new ATOM 0 HG2 ARG A 19 7.710 -10.352 6.396 1.00 11.35 H new ATOM 0 HG3 ARG A 19 6.437 -10.588 7.577 1.00 11.35 H new ATOM 0 HD2 ARG A 19 8.574 -12.591 6.756 1.00 13.24 H new ATOM 0 HD3 ARG A 19 8.406 -11.798 8.310 1.00 13.24 H new ATOM 0 HE ARG A 19 6.671 -13.990 7.248 1.00 51.42 H new ATOM 0 HH11 ARG A 19 7.502 -11.892 9.944 1.00 22.31 H new ATOM 0 HH12 ARG A 19 6.644 -12.910 11.105 1.00 22.31 H new ATOM 0 HH21 ARG A 19 5.625 -15.214 8.735 1.00 70.33 H new ATOM 0 HH22 ARG A 19 5.609 -14.742 10.437 1.00 70.33 H new ATOM 297 N ALA A 20 6.151 -9.688 2.961 1.00 71.44 N ATOM 298 CA ALA A 20 6.814 -8.746 2.028 1.00 2.40 C ATOM 299 C ALA A 20 6.035 -7.415 1.939 1.00 70.23 C ATOM 300 O ALA A 20 6.644 -6.355 1.867 1.00 61.44 O ATOM 301 CB ALA A 20 6.961 -9.371 0.630 1.00 53.14 C ATOM 0 H ALA A 20 5.773 -10.518 2.504 1.00 71.44 H new ATOM 0 HA ALA A 20 7.809 -8.537 2.420 1.00 2.40 H new ATOM 0 HB1 ALA A 20 7.450 -8.661 -0.037 1.00 53.14 H new ATOM 0 HB2 ALA A 20 7.562 -10.278 0.698 1.00 53.14 H new ATOM 0 HB3 ALA A 20 5.975 -9.618 0.236 1.00 53.14 H new ATOM 307 N VAL A 21 4.684 -7.505 1.963 1.00 25.11 N ATOM 308 CA VAL A 21 3.774 -6.333 1.968 1.00 0.43 C ATOM 309 C VAL A 21 3.853 -5.600 3.328 1.00 63.41 C ATOM 310 O VAL A 21 3.866 -4.377 3.376 1.00 62.03 O ATOM 311 CB VAL A 21 2.280 -6.747 1.660 1.00 12.44 C ATOM 312 CG1 VAL A 21 1.298 -5.556 1.823 1.00 1.31 C ATOM 313 CG2 VAL A 21 2.155 -7.364 0.242 1.00 53.11 C ATOM 0 H VAL A 21 4.191 -8.398 1.980 1.00 25.11 H new ATOM 0 HA VAL A 21 4.101 -5.660 1.175 1.00 0.43 H new ATOM 0 HB VAL A 21 2.002 -7.503 2.395 1.00 12.44 H new ATOM 0 HG11 VAL A 21 0.284 -5.888 1.601 1.00 1.31 H new ATOM 0 HG12 VAL A 21 1.343 -5.185 2.847 1.00 1.31 H new ATOM 0 HG13 VAL A 21 1.577 -4.758 1.135 1.00 1.31 H new ATOM 0 HG21 VAL A 21 1.117 -7.640 0.056 1.00 53.11 H new ATOM 0 HG22 VAL A 21 2.476 -6.635 -0.502 1.00 53.11 H new ATOM 0 HG23 VAL A 21 2.784 -8.251 0.175 1.00 53.11 H new ATOM 323 N TYR A 22 3.917 -6.373 4.425 1.00 63.04 N ATOM 324 CA TYR A 22 4.093 -5.823 5.789 1.00 42.02 C ATOM 325 C TYR A 22 5.401 -4.986 5.909 1.00 11.32 C ATOM 326 O TYR A 22 5.367 -3.835 6.354 1.00 63.42 O ATOM 327 CB TYR A 22 4.043 -6.974 6.845 1.00 63.12 C ATOM 328 CG TYR A 22 2.627 -7.309 7.364 1.00 30.13 C ATOM 329 CD1 TYR A 22 1.640 -7.820 6.519 1.00 62.43 C ATOM 330 CD2 TYR A 22 2.284 -7.106 8.704 1.00 3.22 C ATOM 331 CE1 TYR A 22 0.369 -8.113 6.987 1.00 14.32 C ATOM 332 CE2 TYR A 22 1.012 -7.401 9.176 1.00 31.31 C ATOM 333 CZ TYR A 22 0.059 -7.902 8.312 1.00 41.24 C ATOM 334 OH TYR A 22 -1.207 -8.207 8.780 1.00 75.11 O ATOM 0 H TYR A 22 3.849 -7.390 4.397 1.00 63.04 H new ATOM 0 HA TYR A 22 3.268 -5.140 5.990 1.00 42.02 H new ATOM 0 HB2 TYR A 22 4.476 -7.872 6.405 1.00 63.12 H new ATOM 0 HB3 TYR A 22 4.671 -6.699 7.693 1.00 63.12 H new ATOM 0 HD1 TYR A 22 1.872 -7.991 5.478 1.00 62.43 H new ATOM 0 HD2 TYR A 22 3.023 -6.712 9.386 1.00 3.22 H new ATOM 0 HE1 TYR A 22 -0.378 -8.506 6.313 1.00 14.32 H new ATOM 0 HE2 TYR A 22 0.769 -7.239 10.216 1.00 31.31 H new ATOM 0 HH TYR A 22 -1.158 -8.989 9.369 1.00 75.11 H new ATOM 344 N ARG A 23 6.543 -5.556 5.484 1.00 21.14 N ATOM 345 CA ARG A 23 7.840 -4.825 5.486 1.00 14.15 C ATOM 346 C ARG A 23 7.846 -3.673 4.453 1.00 65.12 C ATOM 347 O ARG A 23 8.453 -2.629 4.692 1.00 75.21 O ATOM 348 CB ARG A 23 9.027 -5.794 5.234 1.00 21.41 C ATOM 349 CG ARG A 23 10.415 -5.097 5.132 1.00 53.54 C ATOM 350 CD ARG A 23 11.594 -6.079 5.082 1.00 61.54 C ATOM 351 NE ARG A 23 11.793 -6.766 6.376 1.00 21.15 N ATOM 352 CZ ARG A 23 11.980 -8.053 6.542 1.00 21.34 C ATOM 353 NH1 ARG A 23 11.930 -8.884 5.542 1.00 21.32 N ATOM 354 NH2 ARG A 23 12.205 -8.511 7.720 1.00 0.03 N ATOM 0 H ARG A 23 6.603 -6.513 5.136 1.00 21.14 H new ATOM 0 HA ARG A 23 7.962 -4.384 6.475 1.00 14.15 H new ATOM 0 HB2 ARG A 23 9.060 -6.526 6.041 1.00 21.41 H new ATOM 0 HB3 ARG A 23 8.842 -6.344 4.312 1.00 21.41 H new ATOM 0 HG2 ARG A 23 10.434 -4.474 4.238 1.00 53.54 H new ATOM 0 HG3 ARG A 23 10.542 -4.433 5.987 1.00 53.54 H new ATOM 0 HD2 ARG A 23 11.418 -6.819 4.301 1.00 61.54 H new ATOM 0 HD3 ARG A 23 12.503 -5.542 4.812 1.00 61.54 H new ATOM 0 HE ARG A 23 11.784 -6.186 7.215 1.00 21.15 H new ATOM 0 HH11 ARG A 23 11.742 -8.539 4.601 1.00 21.32 H new ATOM 0 HH12 ARG A 23 12.079 -9.881 5.699 1.00 21.32 H new ATOM 0 HH21 ARG A 23 12.237 -7.875 8.517 1.00 0.03 H new ATOM 0 HH22 ARG A 23 12.352 -9.511 7.859 1.00 0.03 H new ATOM 368 N GLN A 24 7.157 -3.871 3.314 1.00 21.21 N ATOM 369 CA GLN A 24 7.036 -2.838 2.258 1.00 11.11 C ATOM 370 C GLN A 24 6.317 -1.575 2.784 1.00 21.03 C ATOM 371 O GLN A 24 6.836 -0.467 2.665 1.00 13.22 O ATOM 372 CB GLN A 24 6.214 -3.416 1.066 1.00 70.44 C ATOM 373 CG GLN A 24 5.705 -2.377 0.037 1.00 32.33 C ATOM 374 CD GLN A 24 4.457 -2.803 -0.730 1.00 54.33 C ATOM 375 OE1 GLN A 24 3.666 -3.623 -0.276 1.00 65.34 O ATOM 376 NE2 GLN A 24 4.235 -2.190 -1.861 1.00 51.35 N ATOM 0 H GLN A 24 6.671 -4.741 3.097 1.00 21.21 H new ATOM 0 HA GLN A 24 8.041 -2.562 1.940 1.00 11.11 H new ATOM 0 HB2 GLN A 24 6.831 -4.146 0.543 1.00 70.44 H new ATOM 0 HB3 GLN A 24 5.355 -3.954 1.467 1.00 70.44 H new ATOM 0 HG2 GLN A 24 5.495 -1.443 0.557 1.00 32.33 H new ATOM 0 HG3 GLN A 24 6.502 -2.172 -0.677 1.00 32.33 H new ATOM 0 HE21 GLN A 24 4.910 -1.512 -2.215 1.00 51.35 H new ATOM 0 HE22 GLN A 24 3.386 -2.389 -2.391 1.00 51.35 H new ATOM 385 N VAL A 25 5.156 -1.784 3.423 1.00 45.35 N ATOM 386 CA VAL A 25 4.246 -0.695 3.818 1.00 11.31 C ATOM 387 C VAL A 25 4.756 0.050 5.071 1.00 52.34 C ATOM 388 O VAL A 25 4.680 1.268 5.128 1.00 11.33 O ATOM 389 CB VAL A 25 2.770 -1.217 4.015 1.00 61.51 C ATOM 390 CG1 VAL A 25 1.838 -0.106 4.552 1.00 35.01 C ATOM 391 CG2 VAL A 25 2.205 -1.798 2.684 1.00 41.41 C ATOM 0 H VAL A 25 4.820 -2.712 3.681 1.00 45.35 H new ATOM 0 HA VAL A 25 4.231 0.025 3.000 1.00 11.31 H new ATOM 0 HB VAL A 25 2.805 -2.013 4.759 1.00 61.51 H new ATOM 0 HG11 VAL A 25 0.831 -0.504 4.675 1.00 35.01 H new ATOM 0 HG12 VAL A 25 2.209 0.246 5.515 1.00 35.01 H new ATOM 0 HG13 VAL A 25 1.817 0.724 3.846 1.00 35.01 H new ATOM 0 HG21 VAL A 25 1.187 -2.152 2.845 1.00 41.41 H new ATOM 0 HG22 VAL A 25 2.203 -1.021 1.920 1.00 41.41 H new ATOM 0 HG23 VAL A 25 2.830 -2.629 2.355 1.00 41.41 H new ATOM 401 N LEU A 26 5.301 -0.676 6.066 1.00 11.04 N ATOM 402 CA LEU A 26 5.839 -0.038 7.298 1.00 1.32 C ATOM 403 C LEU A 26 7.349 0.313 7.165 1.00 21.01 C ATOM 404 O LEU A 26 7.920 0.960 8.049 1.00 13.33 O ATOM 405 CB LEU A 26 5.579 -0.917 8.553 1.00 3.21 C ATOM 406 CG LEU A 26 4.067 -1.131 8.952 1.00 52.14 C ATOM 407 CD1 LEU A 26 3.435 -2.352 8.240 1.00 42.24 C ATOM 408 CD2 LEU A 26 3.896 -1.222 10.485 1.00 3.21 C ATOM 0 H LEU A 26 5.383 -1.693 6.049 1.00 11.04 H new ATOM 0 HA LEU A 26 5.300 0.900 7.427 1.00 1.32 H new ATOM 0 HB2 LEU A 26 6.031 -1.895 8.386 1.00 3.21 H new ATOM 0 HB3 LEU A 26 6.097 -0.467 9.400 1.00 3.21 H new ATOM 0 HG LEU A 26 3.524 -0.251 8.607 1.00 52.14 H new ATOM 0 HD11 LEU A 26 2.395 -2.455 8.549 1.00 42.24 H new ATOM 0 HD12 LEU A 26 3.480 -2.207 7.161 1.00 42.24 H new ATOM 0 HD13 LEU A 26 3.984 -3.254 8.509 1.00 42.24 H new ATOM 0 HD21 LEU A 26 2.843 -1.369 10.726 1.00 3.21 H new ATOM 0 HD22 LEU A 26 4.476 -2.062 10.867 1.00 3.21 H new ATOM 0 HD23 LEU A 26 4.248 -0.299 10.946 1.00 3.21 H new ATOM 420 N GLY A 27 7.985 -0.131 6.064 1.00 25.52 N ATOM 421 CA GLY A 27 9.392 0.228 5.743 1.00 52.23 C ATOM 422 C GLY A 27 10.442 -0.644 6.458 1.00 75.23 C ATOM 423 O GLY A 27 11.310 -1.258 5.818 1.00 50.22 O ATOM 0 H GLY A 27 7.549 -0.743 5.374 1.00 25.52 H new ATOM 0 HA2 GLY A 27 9.540 0.146 4.666 1.00 52.23 H new ATOM 0 HA3 GLY A 27 9.559 1.272 6.010 1.00 52.23 H new ATOM 427 N ASN A 28 10.357 -0.671 7.799 1.00 74.54 N ATOM 428 CA ASN A 28 11.229 -1.484 8.678 1.00 1.52 C ATOM 429 C ASN A 28 10.630 -2.905 8.855 1.00 53.22 C ATOM 430 O ASN A 28 9.870 -3.373 7.998 1.00 60.45 O ATOM 431 CB ASN A 28 11.374 -0.757 10.046 1.00 11.34 C ATOM 432 CG ASN A 28 11.927 0.659 9.894 1.00 31.45 C ATOM 433 OD1 ASN A 28 13.133 0.875 9.908 1.00 44.12 O ATOM 434 ND2 ASN A 28 11.048 1.631 9.733 1.00 64.45 N ATOM 0 H ASN A 28 9.671 -0.121 8.316 1.00 74.54 H new ATOM 0 HA ASN A 28 12.216 -1.597 8.230 1.00 1.52 H new ATOM 0 HB2 ASN A 28 10.402 -0.714 10.537 1.00 11.34 H new ATOM 0 HB3 ASN A 28 12.033 -1.335 10.694 1.00 11.34 H new ATOM 0 HD21 ASN A 28 11.367 2.593 9.616 1.00 64.45 H new ATOM 0 HD22 ASN A 28 10.050 1.420 9.726 1.00 64.45 H new ATOM 441 N ASP A 29 10.948 -3.591 9.972 1.00 24.03 N ATOM 442 CA ASP A 29 10.395 -4.932 10.282 1.00 64.20 C ATOM 443 C ASP A 29 8.965 -4.861 10.903 1.00 42.11 C ATOM 444 O ASP A 29 8.673 -5.566 11.878 1.00 1.03 O ATOM 445 CB ASP A 29 11.368 -5.694 11.216 1.00 64.33 C ATOM 446 CG ASP A 29 12.790 -5.777 10.652 1.00 30.45 C ATOM 447 OD1 ASP A 29 13.010 -6.567 9.707 1.00 3.21 O ATOM 448 OD2 ASP A 29 13.689 -5.068 11.158 1.00 30.24 O ATOM 0 H ASP A 29 11.590 -3.237 10.681 1.00 24.03 H new ATOM 0 HA ASP A 29 10.295 -5.475 9.342 1.00 64.20 H new ATOM 0 HB2 ASP A 29 11.395 -5.199 12.187 1.00 64.33 H new ATOM 0 HB3 ASP A 29 10.989 -6.702 11.383 1.00 64.33 H new ATOM 453 N TYR A 30 8.070 -4.034 10.273 1.00 3.22 N ATOM 454 CA TYR A 30 6.582 -4.012 10.483 1.00 63.32 C ATOM 455 C TYR A 30 6.112 -4.171 11.966 1.00 53.33 C ATOM 456 O TYR A 30 6.817 -3.776 12.904 1.00 33.13 O ATOM 457 CB TYR A 30 5.901 -5.057 9.520 1.00 3.13 C ATOM 458 CG TYR A 30 6.496 -6.474 9.576 1.00 74.42 C ATOM 459 CD1 TYR A 30 6.142 -7.360 10.584 1.00 52.31 C ATOM 460 CD2 TYR A 30 7.470 -6.888 8.662 1.00 12.25 C ATOM 461 CE1 TYR A 30 6.734 -8.598 10.694 1.00 3.03 C ATOM 462 CE2 TYR A 30 8.052 -8.132 8.756 1.00 71.20 C ATOM 463 CZ TYR A 30 7.686 -8.982 9.780 1.00 75.40 C ATOM 464 OH TYR A 30 8.299 -10.207 9.907 1.00 45.23 O ATOM 0 H TYR A 30 8.373 -3.344 9.585 1.00 3.22 H new ATOM 0 HA TYR A 30 6.250 -3.006 10.228 1.00 63.32 H new ATOM 0 HB2 TYR A 30 4.840 -5.115 9.762 1.00 3.13 H new ATOM 0 HB3 TYR A 30 5.975 -4.688 8.497 1.00 3.13 H new ATOM 0 HD1 TYR A 30 5.385 -7.072 11.298 1.00 52.31 H new ATOM 0 HD2 TYR A 30 7.771 -6.220 7.868 1.00 12.25 H new ATOM 0 HE1 TYR A 30 6.452 -9.265 11.495 1.00 3.03 H new ATOM 0 HE2 TYR A 30 8.791 -8.441 8.032 1.00 71.20 H new ATOM 0 HH TYR A 30 8.340 -10.456 10.854 1.00 45.23 H new ATOM 474 N VAL A 31 4.865 -4.661 12.154 1.00 25.32 N ATOM 475 CA VAL A 31 4.354 -5.117 13.468 1.00 61.53 C ATOM 476 C VAL A 31 3.992 -6.632 13.390 1.00 71.34 C ATOM 477 O VAL A 31 4.729 -7.474 13.908 1.00 75.43 O ATOM 478 CB VAL A 31 3.118 -4.261 13.939 1.00 33.12 C ATOM 479 CG1 VAL A 31 2.585 -4.765 15.302 1.00 42.23 C ATOM 480 CG2 VAL A 31 3.473 -2.746 13.993 1.00 11.44 C ATOM 0 H VAL A 31 4.185 -4.751 11.399 1.00 25.32 H new ATOM 0 HA VAL A 31 5.138 -4.977 14.212 1.00 61.53 H new ATOM 0 HB VAL A 31 2.322 -4.385 13.205 1.00 33.12 H new ATOM 0 HG11 VAL A 31 1.732 -4.158 15.606 1.00 42.23 H new ATOM 0 HG12 VAL A 31 2.275 -5.806 15.209 1.00 42.23 H new ATOM 0 HG13 VAL A 31 3.372 -4.686 16.052 1.00 42.23 H new ATOM 0 HG21 VAL A 31 2.601 -2.180 14.321 1.00 11.44 H new ATOM 0 HG22 VAL A 31 4.293 -2.589 14.694 1.00 11.44 H new ATOM 0 HG23 VAL A 31 3.774 -2.407 13.002 1.00 11.44 H new ATOM 490 N MET A 32 2.877 -6.949 12.681 1.00 41.12 N ATOM 491 CA MET A 32 2.330 -8.328 12.502 1.00 2.14 C ATOM 492 C MET A 32 1.905 -9.017 13.831 1.00 4.14 C ATOM 493 O MET A 32 0.714 -9.173 14.076 1.00 43.34 O ATOM 494 CB MET A 32 3.282 -9.246 11.676 1.00 25.41 C ATOM 495 CG MET A 32 2.756 -10.675 11.435 1.00 65.42 C ATOM 496 SD MET A 32 3.804 -11.643 10.325 1.00 52.35 S ATOM 497 CE MET A 32 3.501 -10.864 8.736 1.00 73.11 C ATOM 0 H MET A 32 2.318 -6.240 12.206 1.00 41.12 H new ATOM 0 HA MET A 32 1.416 -8.187 11.925 1.00 2.14 H new ATOM 0 HB2 MET A 32 3.470 -8.776 10.711 1.00 25.41 H new ATOM 0 HB3 MET A 32 4.240 -9.309 12.192 1.00 25.41 H new ATOM 0 HG2 MET A 32 2.676 -11.192 12.391 1.00 65.42 H new ATOM 0 HG3 MET A 32 1.750 -10.619 11.018 1.00 65.42 H new ATOM 0 HE1 MET A 32 3.927 -11.478 7.943 1.00 73.11 H new ATOM 0 HE2 MET A 32 2.427 -10.762 8.580 1.00 73.11 H new ATOM 0 HE3 MET A 32 3.965 -9.878 8.720 1.00 73.11 H new ATOM 507 N SER A 33 2.884 -9.432 14.671 1.00 12.41 N ATOM 508 CA SER A 33 2.635 -10.244 15.900 1.00 3.05 C ATOM 509 C SER A 33 1.758 -9.493 16.946 1.00 11.20 C ATOM 510 O SER A 33 2.276 -8.907 17.910 1.00 40.51 O ATOM 511 CB SER A 33 3.985 -10.665 16.523 1.00 50.12 C ATOM 512 OG SER A 33 4.811 -11.306 15.564 1.00 33.53 O ATOM 0 H SER A 33 3.870 -9.217 14.521 1.00 12.41 H new ATOM 0 HA SER A 33 2.073 -11.130 15.604 1.00 3.05 H new ATOM 0 HB2 SER A 33 4.496 -9.787 16.919 1.00 50.12 H new ATOM 0 HB3 SER A 33 3.808 -11.337 17.363 1.00 50.12 H new ATOM 0 HG SER A 33 5.660 -11.561 15.982 1.00 33.53 H new ATOM 518 N THR A 34 0.424 -9.532 16.720 1.00 53.53 N ATOM 519 CA THR A 34 -0.599 -8.764 17.480 1.00 73.24 C ATOM 520 C THR A 34 -2.014 -9.011 16.842 1.00 64.10 C ATOM 521 O THR A 34 -2.236 -10.071 16.254 1.00 41.41 O ATOM 522 CB THR A 34 -0.255 -7.220 17.510 1.00 22.32 C ATOM 523 OG1 THR A 34 -1.130 -6.531 18.419 1.00 12.43 O ATOM 524 CG2 THR A 34 -0.344 -6.576 16.109 1.00 72.31 C ATOM 0 H THR A 34 0.016 -10.112 15.987 1.00 53.53 H new ATOM 0 HA THR A 34 -0.604 -9.112 18.513 1.00 73.24 H new ATOM 0 HB THR A 34 0.776 -7.127 17.853 1.00 22.32 H new ATOM 0 HG1 THR A 34 -0.905 -5.577 18.429 1.00 12.43 H new ATOM 0 HG21 THR A 34 -0.100 -5.516 16.180 1.00 72.31 H new ATOM 0 HG22 THR A 34 0.360 -7.067 15.438 1.00 72.31 H new ATOM 0 HG23 THR A 34 -1.356 -6.690 15.720 1.00 72.31 H new ATOM 532 N GLU A 35 -2.963 -8.054 17.002 1.00 51.13 N ATOM 533 CA GLU A 35 -4.283 -8.046 16.312 1.00 42.20 C ATOM 534 C GLU A 35 -4.137 -8.226 14.783 1.00 51.21 C ATOM 535 O GLU A 35 -4.731 -9.147 14.208 1.00 14.04 O ATOM 536 CB GLU A 35 -5.005 -6.701 16.613 1.00 15.43 C ATOM 537 CG GLU A 35 -5.138 -6.364 18.112 1.00 53.33 C ATOM 538 CD GLU A 35 -5.693 -4.949 18.361 1.00 51.01 C ATOM 539 OE1 GLU A 35 -4.936 -3.970 18.183 1.00 42.42 O ATOM 540 OE2 GLU A 35 -6.882 -4.806 18.709 1.00 72.21 O ATOM 0 H GLU A 35 -2.833 -7.254 17.622 1.00 51.13 H new ATOM 0 HA GLU A 35 -4.867 -8.886 16.688 1.00 42.20 H new ATOM 0 HB2 GLU A 35 -4.463 -5.894 16.120 1.00 15.43 H new ATOM 0 HB3 GLU A 35 -6.001 -6.732 16.171 1.00 15.43 H new ATOM 0 HG2 GLU A 35 -5.793 -7.095 18.587 1.00 53.33 H new ATOM 0 HG3 GLU A 35 -4.162 -6.455 18.588 1.00 53.33 H new ATOM 547 N ARG A 36 -3.325 -7.322 14.162 1.00 12.31 N ATOM 548 CA ARG A 36 -2.991 -7.291 12.702 1.00 41.00 C ATOM 549 C ARG A 36 -4.225 -7.455 11.765 1.00 13.21 C ATOM 550 O ARG A 36 -5.376 -7.307 12.185 1.00 50.35 O ATOM 551 CB ARG A 36 -1.867 -8.327 12.347 1.00 10.33 C ATOM 552 CG ARG A 36 -2.286 -9.817 12.404 1.00 25.42 C ATOM 553 CD ARG A 36 -1.156 -10.786 12.042 1.00 4.34 C ATOM 554 NE ARG A 36 -1.612 -12.184 12.098 1.00 50.02 N ATOM 555 CZ ARG A 36 -1.927 -12.926 11.067 1.00 25.34 C ATOM 556 NH1 ARG A 36 -1.887 -12.469 9.851 1.00 31.44 N ATOM 557 NH2 ARG A 36 -2.291 -14.145 11.260 1.00 1.31 N ATOM 0 H ARG A 36 -2.869 -6.570 14.678 1.00 12.31 H new ATOM 0 HA ARG A 36 -2.610 -6.287 12.514 1.00 41.00 H new ATOM 0 HB2 ARG A 36 -1.501 -8.109 11.343 1.00 10.33 H new ATOM 0 HB3 ARG A 36 -1.031 -8.177 13.030 1.00 10.33 H new ATOM 0 HG2 ARG A 36 -2.643 -10.047 13.408 1.00 25.42 H new ATOM 0 HG3 ARG A 36 -3.122 -9.977 11.724 1.00 25.42 H new ATOM 0 HD2 ARG A 36 -0.788 -10.561 11.041 1.00 4.34 H new ATOM 0 HD3 ARG A 36 -0.320 -10.646 12.728 1.00 4.34 H new ATOM 0 HE ARG A 36 -1.689 -12.612 13.021 1.00 50.02 H new ATOM 0 HH11 ARG A 36 -1.603 -11.505 9.678 1.00 31.44 H new ATOM 0 HH12 ARG A 36 -2.139 -13.075 9.070 1.00 31.44 H new ATOM 0 HH21 ARG A 36 -2.331 -14.521 12.207 1.00 1.31 H new ATOM 0 HH22 ARG A 36 -2.539 -14.735 10.466 1.00 1.31 H new ATOM 571 N LEU A 37 -3.968 -7.718 10.469 1.00 3.54 N ATOM 572 CA LEU A 37 -5.026 -8.009 9.486 1.00 4.45 C ATOM 573 C LEU A 37 -5.146 -9.532 9.289 1.00 65.22 C ATOM 574 O LEU A 37 -4.557 -10.084 8.363 1.00 44.11 O ATOM 575 CB LEU A 37 -4.744 -7.300 8.129 1.00 54.22 C ATOM 576 CG LEU A 37 -4.479 -5.756 8.190 1.00 31.01 C ATOM 577 CD1 LEU A 37 -3.015 -5.430 8.583 1.00 55.31 C ATOM 578 CD2 LEU A 37 -4.860 -5.075 6.866 1.00 34.43 C ATOM 0 H LEU A 37 -3.026 -7.734 10.077 1.00 3.54 H new ATOM 0 HA LEU A 37 -5.971 -7.623 9.868 1.00 4.45 H new ATOM 0 HB2 LEU A 37 -3.879 -7.777 7.668 1.00 54.22 H new ATOM 0 HB3 LEU A 37 -5.594 -7.475 7.469 1.00 54.22 H new ATOM 0 HG LEU A 37 -5.119 -5.354 8.975 1.00 31.01 H new ATOM 0 HD11 LEU A 37 -2.878 -4.349 8.612 1.00 55.31 H new ATOM 0 HD12 LEU A 37 -2.800 -5.850 9.566 1.00 55.31 H new ATOM 0 HD13 LEU A 37 -2.336 -5.862 7.848 1.00 55.31 H new ATOM 0 HD21 LEU A 37 -4.665 -4.005 6.938 1.00 34.43 H new ATOM 0 HD22 LEU A 37 -4.267 -5.498 6.055 1.00 34.43 H new ATOM 0 HD23 LEU A 37 -5.919 -5.238 6.664 1.00 34.43 H new ATOM 590 N THR A 38 -5.847 -10.205 10.220 1.00 55.11 N ATOM 591 CA THR A 38 -6.100 -11.670 10.142 1.00 1.53 C ATOM 592 C THR A 38 -7.099 -12.036 9.015 1.00 0.31 C ATOM 593 O THR A 38 -6.871 -12.992 8.266 1.00 73.14 O ATOM 594 CB THR A 38 -6.639 -12.212 11.502 1.00 14.13 C ATOM 595 OG1 THR A 38 -7.819 -11.482 11.883 1.00 40.21 O ATOM 596 CG2 THR A 38 -5.575 -12.105 12.608 1.00 44.50 C ATOM 0 H THR A 38 -6.254 -9.761 11.043 1.00 55.11 H new ATOM 0 HA THR A 38 -5.143 -12.138 9.912 1.00 1.53 H new ATOM 0 HB THR A 38 -6.886 -13.266 11.374 1.00 14.13 H new ATOM 0 HG1 THR A 38 -8.155 -11.826 12.737 1.00 40.21 H new ATOM 0 HG21 THR A 38 -5.982 -12.491 13.543 1.00 44.50 H new ATOM 0 HG22 THR A 38 -4.698 -12.687 12.326 1.00 44.50 H new ATOM 0 HG23 THR A 38 -5.291 -11.061 12.740 1.00 44.50 H new ATOM 604 N SER A 39 -8.195 -11.259 8.906 1.00 12.52 N ATOM 605 CA SER A 39 -9.258 -11.486 7.893 1.00 74.22 C ATOM 606 C SER A 39 -8.752 -11.204 6.460 1.00 41.51 C ATOM 607 O SER A 39 -8.950 -12.022 5.562 1.00 4.50 O ATOM 608 CB SER A 39 -10.494 -10.610 8.204 1.00 64.14 C ATOM 609 OG SER A 39 -11.499 -10.736 7.207 1.00 53.01 O ATOM 0 H SER A 39 -8.373 -10.458 9.513 1.00 12.52 H new ATOM 0 HA SER A 39 -9.542 -12.537 7.945 1.00 74.22 H new ATOM 0 HB2 SER A 39 -10.906 -10.895 9.172 1.00 64.14 H new ATOM 0 HB3 SER A 39 -10.189 -9.566 8.282 1.00 64.14 H new ATOM 0 HG SER A 39 -12.264 -10.169 7.440 1.00 53.01 H new ATOM 615 N ALA A 40 -8.073 -10.049 6.277 1.00 14.54 N ATOM 616 CA ALA A 40 -7.520 -9.629 4.959 1.00 61.32 C ATOM 617 C ALA A 40 -6.416 -10.601 4.474 1.00 64.15 C ATOM 618 O ALA A 40 -6.312 -10.900 3.275 1.00 13.44 O ATOM 619 CB ALA A 40 -6.975 -8.192 5.038 1.00 61.40 C ATOM 0 H ALA A 40 -7.891 -9.384 7.028 1.00 14.54 H new ATOM 0 HA ALA A 40 -8.332 -9.657 4.232 1.00 61.32 H new ATOM 0 HB1 ALA A 40 -6.575 -7.901 4.067 1.00 61.40 H new ATOM 0 HB2 ALA A 40 -7.780 -7.512 5.317 1.00 61.40 H new ATOM 0 HB3 ALA A 40 -6.184 -8.144 5.786 1.00 61.40 H new ATOM 625 N GLU A 41 -5.590 -11.068 5.433 1.00 62.41 N ATOM 626 CA GLU A 41 -4.601 -12.154 5.224 1.00 65.25 C ATOM 627 C GLU A 41 -5.269 -13.436 4.681 1.00 10.03 C ATOM 628 O GLU A 41 -4.837 -13.986 3.667 1.00 74.43 O ATOM 629 CB GLU A 41 -3.880 -12.452 6.571 1.00 12.34 C ATOM 630 CG GLU A 41 -2.960 -13.705 6.588 1.00 34.03 C ATOM 631 CD GLU A 41 -3.345 -14.760 7.654 1.00 35.52 C ATOM 632 OE1 GLU A 41 -4.479 -15.291 7.600 1.00 24.24 O ATOM 633 OE2 GLU A 41 -2.512 -15.067 8.530 1.00 21.22 O ATOM 0 H GLU A 41 -5.588 -10.700 6.384 1.00 62.41 H new ATOM 0 HA GLU A 41 -3.877 -11.824 4.479 1.00 65.25 H new ATOM 0 HB2 GLU A 41 -3.281 -11.582 6.840 1.00 12.34 H new ATOM 0 HB3 GLU A 41 -4.636 -12.570 7.347 1.00 12.34 H new ATOM 0 HG2 GLU A 41 -2.984 -14.173 5.604 1.00 34.03 H new ATOM 0 HG3 GLU A 41 -1.933 -13.385 6.764 1.00 34.03 H new ATOM 640 N SER A 42 -6.326 -13.892 5.386 1.00 44.02 N ATOM 641 CA SER A 42 -7.109 -15.093 5.002 1.00 63.00 C ATOM 642 C SER A 42 -7.798 -14.941 3.620 1.00 40.22 C ATOM 643 O SER A 42 -8.004 -15.936 2.920 1.00 1.23 O ATOM 644 CB SER A 42 -8.161 -15.416 6.089 1.00 51.40 C ATOM 645 OG SER A 42 -7.541 -15.755 7.324 1.00 32.04 O ATOM 0 H SER A 42 -6.663 -13.441 6.237 1.00 44.02 H new ATOM 0 HA SER A 42 -6.403 -15.919 4.918 1.00 63.00 H new ATOM 0 HB2 SER A 42 -8.815 -14.556 6.232 1.00 51.40 H new ATOM 0 HB3 SER A 42 -8.789 -16.242 5.756 1.00 51.40 H new ATOM 0 HG SER A 42 -7.264 -14.937 7.786 1.00 32.04 H new ATOM 651 N LEU A 43 -8.151 -13.694 3.239 1.00 45.25 N ATOM 652 CA LEU A 43 -8.740 -13.393 1.909 1.00 33.45 C ATOM 653 C LEU A 43 -7.693 -13.544 0.773 1.00 21.14 C ATOM 654 O LEU A 43 -8.015 -14.059 -0.297 1.00 1.32 O ATOM 655 CB LEU A 43 -9.375 -11.971 1.896 1.00 20.44 C ATOM 656 CG LEU A 43 -10.633 -11.776 2.807 1.00 51.33 C ATOM 657 CD1 LEU A 43 -11.142 -10.315 2.767 1.00 23.43 C ATOM 658 CD2 LEU A 43 -11.756 -12.780 2.439 1.00 30.04 C ATOM 0 H LEU A 43 -8.039 -12.874 3.835 1.00 45.25 H new ATOM 0 HA LEU A 43 -9.529 -14.122 1.724 1.00 33.45 H new ATOM 0 HB2 LEU A 43 -8.615 -11.252 2.201 1.00 20.44 H new ATOM 0 HB3 LEU A 43 -9.652 -11.727 0.870 1.00 20.44 H new ATOM 0 HG LEU A 43 -10.330 -11.985 3.833 1.00 51.33 H new ATOM 0 HD11 LEU A 43 -12.016 -10.216 3.411 1.00 23.43 H new ATOM 0 HD12 LEU A 43 -10.356 -9.646 3.117 1.00 23.43 H new ATOM 0 HD13 LEU A 43 -11.413 -10.052 1.745 1.00 23.43 H new ATOM 0 HD21 LEU A 43 -12.616 -12.619 3.090 1.00 30.04 H new ATOM 0 HD22 LEU A 43 -12.053 -12.629 1.401 1.00 30.04 H new ATOM 0 HD23 LEU A 43 -11.390 -13.799 2.567 1.00 30.04 H new ATOM 670 N LEU A 44 -6.440 -13.098 1.011 1.00 23.14 N ATOM 671 CA LEU A 44 -5.334 -13.278 0.030 1.00 71.41 C ATOM 672 C LEU A 44 -4.954 -14.779 -0.092 1.00 20.10 C ATOM 673 O LEU A 44 -4.749 -15.298 -1.195 1.00 60.14 O ATOM 674 CB LEU A 44 -4.093 -12.431 0.432 1.00 53.34 C ATOM 675 CG LEU A 44 -2.909 -12.431 -0.599 1.00 61.23 C ATOM 676 CD1 LEU A 44 -3.345 -11.850 -1.963 1.00 23.11 C ATOM 677 CD2 LEU A 44 -1.666 -11.698 -0.039 1.00 4.13 C ATOM 0 H LEU A 44 -6.165 -12.614 1.866 1.00 23.14 H new ATOM 0 HA LEU A 44 -5.682 -12.929 -0.942 1.00 71.41 H new ATOM 0 HB2 LEU A 44 -4.414 -11.401 0.590 1.00 53.34 H new ATOM 0 HB3 LEU A 44 -3.719 -12.798 1.388 1.00 53.34 H new ATOM 0 HG LEU A 44 -2.624 -13.470 -0.765 1.00 61.23 H new ATOM 0 HD11 LEU A 44 -2.500 -11.866 -2.652 1.00 23.11 H new ATOM 0 HD12 LEU A 44 -4.157 -12.451 -2.371 1.00 23.11 H new ATOM 0 HD13 LEU A 44 -3.685 -10.823 -1.829 1.00 23.11 H new ATOM 0 HD21 LEU A 44 -0.867 -11.718 -0.780 1.00 4.13 H new ATOM 0 HD22 LEU A 44 -1.925 -10.664 0.187 1.00 4.13 H new ATOM 0 HD23 LEU A 44 -1.330 -12.195 0.871 1.00 4.13 H new ATOM 689 N ARG A 45 -4.892 -15.455 1.070 1.00 53.05 N ATOM 690 CA ARG A 45 -4.621 -16.909 1.176 1.00 24.23 C ATOM 691 C ARG A 45 -5.740 -17.774 0.546 1.00 4.11 C ATOM 692 O ARG A 45 -5.467 -18.861 0.032 1.00 70.12 O ATOM 693 CB ARG A 45 -4.412 -17.292 2.668 1.00 53.44 C ATOM 694 CG ARG A 45 -3.042 -16.864 3.247 1.00 24.22 C ATOM 695 CD ARG A 45 -2.955 -17.020 4.775 1.00 42.44 C ATOM 696 NE ARG A 45 -3.424 -18.338 5.247 1.00 71.45 N ATOM 697 CZ ARG A 45 -2.704 -19.231 5.884 1.00 71.13 C ATOM 698 NH1 ARG A 45 -1.428 -19.073 6.058 1.00 21.11 N ATOM 699 NH2 ARG A 45 -3.274 -20.299 6.331 1.00 72.24 N ATOM 0 H ARG A 45 -5.030 -15.006 1.975 1.00 53.05 H new ATOM 0 HA ARG A 45 -3.713 -17.116 0.609 1.00 24.23 H new ATOM 0 HB2 ARG A 45 -5.204 -16.836 3.263 1.00 53.44 H new ATOM 0 HB3 ARG A 45 -4.517 -18.372 2.772 1.00 53.44 H new ATOM 0 HG2 ARG A 45 -2.256 -17.459 2.782 1.00 24.22 H new ATOM 0 HG3 ARG A 45 -2.852 -15.824 2.983 1.00 24.22 H new ATOM 0 HD2 ARG A 45 -1.922 -16.873 5.092 1.00 42.44 H new ATOM 0 HD3 ARG A 45 -3.548 -16.238 5.249 1.00 42.44 H new ATOM 0 HE ARG A 45 -4.398 -18.576 5.061 1.00 71.45 H new ATOM 0 HH11 ARG A 45 -0.963 -18.240 5.696 1.00 21.11 H new ATOM 0 HH12 ARG A 45 -0.890 -19.781 6.557 1.00 21.11 H new ATOM 0 HH21 ARG A 45 -4.274 -20.442 6.188 1.00 72.24 H new ATOM 0 HH22 ARG A 45 -2.725 -21.000 6.828 1.00 72.24 H new ATOM 713 N GLY A 46 -6.989 -17.278 0.596 1.00 61.21 N ATOM 714 CA GLY A 46 -8.142 -17.969 -0.010 1.00 62.23 C ATOM 715 C GLY A 46 -8.312 -17.685 -1.512 1.00 11.03 C ATOM 716 O GLY A 46 -9.150 -18.307 -2.173 1.00 5.55 O ATOM 0 H GLY A 46 -7.227 -16.397 1.052 1.00 61.21 H new ATOM 0 HA2 GLY A 46 -8.029 -19.043 0.137 1.00 62.23 H new ATOM 0 HA3 GLY A 46 -9.050 -17.669 0.513 1.00 62.23 H new ATOM 720 N GLY A 47 -7.496 -16.750 -2.052 1.00 11.51 N ATOM 721 CA GLY A 47 -7.628 -16.293 -3.447 1.00 72.34 C ATOM 722 C GLY A 47 -8.876 -15.435 -3.693 1.00 51.34 C ATOM 723 O GLY A 47 -9.348 -15.316 -4.831 1.00 34.35 O ATOM 0 H GLY A 47 -6.739 -16.299 -1.538 1.00 11.51 H new ATOM 0 HA2 GLY A 47 -6.742 -15.719 -3.718 1.00 72.34 H new ATOM 0 HA3 GLY A 47 -7.658 -17.162 -4.105 1.00 72.34 H new ATOM 727 N GLU A 48 -9.418 -14.848 -2.609 1.00 14.55 N ATOM 728 CA GLU A 48 -10.611 -13.974 -2.665 1.00 40.22 C ATOM 729 C GLU A 48 -10.253 -12.547 -3.153 1.00 30.42 C ATOM 730 O GLU A 48 -11.060 -11.891 -3.820 1.00 61.00 O ATOM 731 CB GLU A 48 -11.279 -13.913 -1.258 1.00 10.12 C ATOM 732 CG GLU A 48 -11.549 -15.291 -0.599 1.00 1.23 C ATOM 733 CD GLU A 48 -12.473 -16.204 -1.428 1.00 75.34 C ATOM 734 OE1 GLU A 48 -13.707 -16.036 -1.364 1.00 63.14 O ATOM 735 OE2 GLU A 48 -11.972 -17.080 -2.163 1.00 33.54 O ATOM 0 H GLU A 48 -9.043 -14.965 -1.668 1.00 14.55 H new ATOM 0 HA GLU A 48 -11.311 -14.399 -3.385 1.00 40.22 H new ATOM 0 HB2 GLU A 48 -10.641 -13.329 -0.595 1.00 10.12 H new ATOM 0 HB3 GLU A 48 -12.224 -13.377 -1.344 1.00 10.12 H new ATOM 0 HG2 GLU A 48 -10.598 -15.800 -0.439 1.00 1.23 H new ATOM 0 HG3 GLU A 48 -11.995 -15.133 0.383 1.00 1.23 H new ATOM 742 N ILE A 49 -9.033 -12.075 -2.815 1.00 32.54 N ATOM 743 CA ILE A 49 -8.502 -10.756 -3.262 1.00 23.23 C ATOM 744 C ILE A 49 -7.120 -10.922 -3.949 1.00 13.12 C ATOM 745 O ILE A 49 -6.456 -11.961 -3.790 1.00 34.13 O ATOM 746 CB ILE A 49 -8.373 -9.728 -2.061 1.00 2.31 C ATOM 747 CG1 ILE A 49 -7.336 -10.221 -0.991 1.00 45.41 C ATOM 748 CG2 ILE A 49 -9.757 -9.436 -1.413 1.00 73.11 C ATOM 749 CD1 ILE A 49 -7.070 -9.247 0.151 1.00 44.32 C ATOM 0 H ILE A 49 -8.383 -12.594 -2.224 1.00 32.54 H new ATOM 0 HA ILE A 49 -9.219 -10.355 -3.978 1.00 23.23 H new ATOM 0 HB ILE A 49 -7.998 -8.791 -2.473 1.00 2.31 H new ATOM 0 HG12 ILE A 49 -7.692 -11.161 -0.570 1.00 45.41 H new ATOM 0 HG13 ILE A 49 -6.392 -10.433 -1.494 1.00 45.41 H new ATOM 0 HG21 ILE A 49 -9.633 -8.728 -0.594 1.00 73.11 H new ATOM 0 HG22 ILE A 49 -10.427 -9.012 -2.161 1.00 73.11 H new ATOM 0 HG23 ILE A 49 -10.182 -10.364 -1.030 1.00 73.11 H new ATOM 0 HD11 ILE A 49 -6.341 -9.680 0.836 1.00 44.32 H new ATOM 0 HD12 ILE A 49 -6.680 -8.312 -0.252 1.00 44.32 H new ATOM 0 HD13 ILE A 49 -7.999 -9.052 0.686 1.00 44.32 H new ATOM 761 N SER A 50 -6.706 -9.900 -4.725 1.00 44.34 N ATOM 762 CA SER A 50 -5.341 -9.825 -5.307 1.00 10.34 C ATOM 763 C SER A 50 -4.354 -9.190 -4.303 1.00 2.04 C ATOM 764 O SER A 50 -4.765 -8.630 -3.275 1.00 11.10 O ATOM 765 CB SER A 50 -5.335 -9.013 -6.632 1.00 43.42 C ATOM 766 OG SER A 50 -6.144 -9.622 -7.623 1.00 55.14 O ATOM 0 H SER A 50 -7.300 -9.107 -4.967 1.00 44.34 H new ATOM 0 HA SER A 50 -5.023 -10.844 -5.525 1.00 10.34 H new ATOM 0 HB2 SER A 50 -5.693 -8.002 -6.441 1.00 43.42 H new ATOM 0 HB3 SER A 50 -4.313 -8.925 -7.000 1.00 43.42 H new ATOM 0 HG SER A 50 -5.584 -10.170 -8.211 1.00 55.14 H new ATOM 772 N VAL A 51 -3.050 -9.294 -4.621 1.00 14.23 N ATOM 773 CA VAL A 51 -1.948 -8.703 -3.814 1.00 51.30 C ATOM 774 C VAL A 51 -2.126 -7.183 -3.641 1.00 50.35 C ATOM 775 O VAL A 51 -1.929 -6.658 -2.561 1.00 51.22 O ATOM 776 CB VAL A 51 -0.559 -8.987 -4.489 1.00 12.24 C ATOM 777 CG1 VAL A 51 0.616 -8.256 -3.769 1.00 33.21 C ATOM 778 CG2 VAL A 51 -0.302 -10.513 -4.567 1.00 12.34 C ATOM 0 H VAL A 51 -2.722 -9.792 -5.449 1.00 14.23 H new ATOM 0 HA VAL A 51 -1.981 -9.171 -2.830 1.00 51.30 H new ATOM 0 HB VAL A 51 -0.601 -8.584 -5.501 1.00 12.24 H new ATOM 0 HG11 VAL A 51 1.553 -8.486 -4.276 1.00 33.21 H new ATOM 0 HG12 VAL A 51 0.445 -7.180 -3.794 1.00 33.21 H new ATOM 0 HG13 VAL A 51 0.672 -8.590 -2.733 1.00 33.21 H new ATOM 0 HG21 VAL A 51 0.664 -10.696 -5.037 1.00 12.34 H new ATOM 0 HG22 VAL A 51 -0.302 -10.934 -3.561 1.00 12.34 H new ATOM 0 HG23 VAL A 51 -1.088 -10.985 -5.157 1.00 12.34 H new ATOM 788 N ARG A 52 -2.505 -6.522 -4.737 1.00 72.31 N ATOM 789 CA ARG A 52 -2.825 -5.077 -4.797 1.00 4.22 C ATOM 790 C ARG A 52 -3.854 -4.653 -3.726 1.00 43.10 C ATOM 791 O ARG A 52 -3.664 -3.660 -3.024 1.00 15.04 O ATOM 792 CB ARG A 52 -3.405 -4.790 -6.195 1.00 62.42 C ATOM 793 CG ARG A 52 -3.964 -3.371 -6.420 1.00 22.23 C ATOM 794 CD ARG A 52 -4.792 -3.280 -7.698 1.00 71.24 C ATOM 795 NE ARG A 52 -5.942 -4.205 -7.634 1.00 14.01 N ATOM 796 CZ ARG A 52 -7.123 -3.989 -8.165 1.00 32.44 C ATOM 797 NH1 ARG A 52 -7.363 -2.914 -8.848 1.00 0.12 N ATOM 798 NH2 ARG A 52 -8.064 -4.853 -8.000 1.00 53.43 N ATOM 0 H ARG A 52 -2.604 -6.984 -5.641 1.00 72.31 H new ATOM 0 HA ARG A 52 -1.914 -4.510 -4.606 1.00 4.22 H new ATOM 0 HB2 ARG A 52 -2.625 -4.972 -6.934 1.00 62.42 H new ATOM 0 HB3 ARG A 52 -4.202 -5.507 -6.389 1.00 62.42 H new ATOM 0 HG2 ARG A 52 -4.580 -3.084 -5.568 1.00 22.23 H new ATOM 0 HG3 ARG A 52 -3.139 -2.660 -6.471 1.00 22.23 H new ATOM 0 HD2 ARG A 52 -5.146 -2.259 -7.837 1.00 71.24 H new ATOM 0 HD3 ARG A 52 -4.170 -3.522 -8.560 1.00 71.24 H new ATOM 0 HE ARG A 52 -5.807 -5.085 -7.136 1.00 14.01 H new ATOM 0 HH11 ARG A 52 -6.628 -2.219 -8.980 1.00 0.12 H new ATOM 0 HH12 ARG A 52 -8.287 -2.763 -9.253 1.00 0.12 H new ATOM 0 HH21 ARG A 52 -7.890 -5.700 -7.459 1.00 53.43 H new ATOM 0 HH22 ARG A 52 -8.984 -4.690 -8.410 1.00 53.43 H new ATOM 812 N ASP A 53 -4.947 -5.419 -3.647 1.00 33.31 N ATOM 813 CA ASP A 53 -6.056 -5.171 -2.709 1.00 53.21 C ATOM 814 C ASP A 53 -5.624 -5.449 -1.247 1.00 45.04 C ATOM 815 O ASP A 53 -6.147 -4.832 -0.311 1.00 53.31 O ATOM 816 CB ASP A 53 -7.261 -6.042 -3.117 1.00 33.11 C ATOM 817 CG ASP A 53 -7.699 -5.763 -4.567 1.00 1.12 C ATOM 818 OD1 ASP A 53 -7.170 -6.405 -5.501 1.00 60.53 O ATOM 819 OD2 ASP A 53 -8.551 -4.875 -4.781 1.00 63.51 O ATOM 0 H ASP A 53 -5.092 -6.238 -4.237 1.00 33.31 H new ATOM 0 HA ASP A 53 -6.344 -4.121 -2.758 1.00 53.21 H new ATOM 0 HB2 ASP A 53 -7.001 -7.095 -3.011 1.00 33.11 H new ATOM 0 HB3 ASP A 53 -8.095 -5.850 -2.441 1.00 33.11 H new ATOM 824 N PHE A 54 -4.656 -6.372 -1.071 1.00 53.15 N ATOM 825 CA PHE A 54 -4.026 -6.646 0.240 1.00 74.13 C ATOM 826 C PHE A 54 -3.046 -5.501 0.640 1.00 33.14 C ATOM 827 O PHE A 54 -2.973 -5.135 1.811 1.00 75.32 O ATOM 828 CB PHE A 54 -3.301 -8.018 0.216 1.00 34.13 C ATOM 829 CG PHE A 54 -2.708 -8.427 1.566 1.00 60.52 C ATOM 830 CD1 PHE A 54 -3.537 -8.841 2.611 1.00 41.04 C ATOM 831 CD2 PHE A 54 -1.332 -8.383 1.798 1.00 74.51 C ATOM 832 CE1 PHE A 54 -3.011 -9.195 3.834 1.00 12.11 C ATOM 833 CE2 PHE A 54 -0.810 -8.742 3.026 1.00 43.21 C ATOM 834 CZ PHE A 54 -1.650 -9.147 4.042 1.00 44.43 C ATOM 0 H PHE A 54 -4.289 -6.947 -1.830 1.00 53.15 H new ATOM 0 HA PHE A 54 -4.811 -6.687 0.995 1.00 74.13 H new ATOM 0 HB2 PHE A 54 -4.005 -8.785 -0.108 1.00 34.13 H new ATOM 0 HB3 PHE A 54 -2.503 -7.984 -0.525 1.00 34.13 H new ATOM 0 HD1 PHE A 54 -4.605 -8.884 2.458 1.00 41.04 H new ATOM 0 HD2 PHE A 54 -0.668 -8.065 1.008 1.00 74.51 H new ATOM 0 HE1 PHE A 54 -3.667 -9.511 4.632 1.00 12.11 H new ATOM 0 HE2 PHE A 54 0.257 -8.705 3.190 1.00 43.21 H new ATOM 0 HZ PHE A 54 -1.241 -9.427 5.001 1.00 44.43 H new ATOM 844 N VAL A 55 -2.300 -4.945 -0.348 1.00 53.10 N ATOM 845 CA VAL A 55 -1.407 -3.770 -0.152 1.00 50.10 C ATOM 846 C VAL A 55 -2.238 -2.537 0.265 1.00 55.32 C ATOM 847 O VAL A 55 -1.834 -1.766 1.136 1.00 23.52 O ATOM 848 CB VAL A 55 -0.570 -3.446 -1.459 1.00 51.31 C ATOM 849 CG1 VAL A 55 0.210 -2.109 -1.332 1.00 41.31 C ATOM 850 CG2 VAL A 55 0.399 -4.607 -1.810 1.00 32.33 C ATOM 0 H VAL A 55 -2.299 -5.298 -1.305 1.00 53.10 H new ATOM 0 HA VAL A 55 -0.701 -4.017 0.641 1.00 50.10 H new ATOM 0 HB VAL A 55 -1.286 -3.337 -2.273 1.00 51.31 H new ATOM 0 HG11 VAL A 55 0.770 -1.926 -2.249 1.00 41.31 H new ATOM 0 HG12 VAL A 55 -0.493 -1.292 -1.166 1.00 41.31 H new ATOM 0 HG13 VAL A 55 0.901 -2.169 -0.491 1.00 41.31 H new ATOM 0 HG21 VAL A 55 0.958 -4.354 -2.711 1.00 32.33 H new ATOM 0 HG22 VAL A 55 1.093 -4.764 -0.984 1.00 32.33 H new ATOM 0 HG23 VAL A 55 -0.173 -5.519 -1.982 1.00 32.33 H new ATOM 860 N ARG A 56 -3.416 -2.397 -0.368 1.00 63.22 N ATOM 861 CA ARG A 56 -4.422 -1.377 -0.021 1.00 31.13 C ATOM 862 C ARG A 56 -4.871 -1.526 1.448 1.00 30.33 C ATOM 863 O ARG A 56 -4.894 -0.551 2.188 1.00 11.32 O ATOM 864 CB ARG A 56 -5.634 -1.492 -0.985 1.00 43.30 C ATOM 865 CG ARG A 56 -6.804 -0.516 -0.711 1.00 41.21 C ATOM 866 CD ARG A 56 -7.803 -0.437 -1.888 1.00 42.35 C ATOM 867 NE ARG A 56 -8.270 -1.763 -2.342 1.00 2.23 N ATOM 868 CZ ARG A 56 -9.335 -2.398 -1.901 1.00 63.12 C ATOM 869 NH1 ARG A 56 -10.067 -1.913 -0.948 1.00 22.33 N ATOM 870 NH2 ARG A 56 -9.661 -3.527 -2.421 1.00 24.31 N ATOM 0 H ARG A 56 -3.700 -2.996 -1.144 1.00 63.22 H new ATOM 0 HA ARG A 56 -3.976 -0.388 -0.131 1.00 31.13 H new ATOM 0 HB2 ARG A 56 -5.281 -1.331 -2.004 1.00 43.30 H new ATOM 0 HB3 ARG A 56 -6.017 -2.511 -0.938 1.00 43.30 H new ATOM 0 HG2 ARG A 56 -7.333 -0.832 0.188 1.00 41.21 H new ATOM 0 HG3 ARG A 56 -6.404 0.478 -0.512 1.00 41.21 H new ATOM 0 HD2 ARG A 56 -8.663 0.161 -1.587 1.00 42.35 H new ATOM 0 HD3 ARG A 56 -7.331 0.081 -2.723 1.00 42.35 H new ATOM 0 HE ARG A 56 -7.717 -2.228 -3.062 1.00 2.23 H new ATOM 0 HH11 ARG A 56 -9.823 -1.019 -0.522 1.00 22.33 H new ATOM 0 HH12 ARG A 56 -10.888 -2.425 -0.624 1.00 22.33 H new ATOM 0 HH21 ARG A 56 -9.096 -3.925 -3.171 1.00 24.31 H new ATOM 0 HH22 ARG A 56 -10.485 -4.025 -2.084 1.00 24.31 H new ATOM 884 N ALA A 57 -5.178 -2.774 1.847 1.00 63.31 N ATOM 885 CA ALA A 57 -5.629 -3.107 3.216 1.00 11.20 C ATOM 886 C ALA A 57 -4.553 -2.784 4.290 1.00 30.44 C ATOM 887 O ALA A 57 -4.860 -2.163 5.311 1.00 40.41 O ATOM 888 CB ALA A 57 -6.037 -4.590 3.280 1.00 43.30 C ATOM 0 H ALA A 57 -5.121 -3.584 1.229 1.00 63.31 H new ATOM 0 HA ALA A 57 -6.492 -2.482 3.443 1.00 11.20 H new ATOM 0 HB1 ALA A 57 -6.369 -4.833 4.289 1.00 43.30 H new ATOM 0 HB2 ALA A 57 -6.849 -4.775 2.577 1.00 43.30 H new ATOM 0 HB3 ALA A 57 -5.182 -5.214 3.019 1.00 43.30 H new ATOM 894 N VAL A 58 -3.292 -3.208 4.045 1.00 64.14 N ATOM 895 CA VAL A 58 -2.162 -3.015 5.001 1.00 1.34 C ATOM 896 C VAL A 58 -1.723 -1.529 5.055 1.00 74.44 C ATOM 897 O VAL A 58 -1.270 -1.039 6.093 1.00 61.23 O ATOM 898 CB VAL A 58 -0.944 -3.965 4.657 1.00 41.44 C ATOM 899 CG1 VAL A 58 0.250 -3.779 5.639 1.00 5.45 C ATOM 900 CG2 VAL A 58 -1.402 -5.448 4.634 1.00 71.33 C ATOM 0 H VAL A 58 -3.024 -3.691 3.187 1.00 64.14 H new ATOM 0 HA VAL A 58 -2.519 -3.291 5.993 1.00 1.34 H new ATOM 0 HB VAL A 58 -0.589 -3.685 3.665 1.00 41.44 H new ATOM 0 HG11 VAL A 58 1.059 -4.453 5.360 1.00 5.45 H new ATOM 0 HG12 VAL A 58 0.603 -2.749 5.591 1.00 5.45 H new ATOM 0 HG13 VAL A 58 -0.076 -4.004 6.655 1.00 5.45 H new ATOM 0 HG21 VAL A 58 -0.552 -6.088 4.396 1.00 71.33 H new ATOM 0 HG22 VAL A 58 -1.799 -5.721 5.612 1.00 71.33 H new ATOM 0 HG23 VAL A 58 -2.177 -5.578 3.878 1.00 71.33 H new ATOM 910 N ALA A 59 -1.866 -0.810 3.928 1.00 24.34 N ATOM 911 CA ALA A 59 -1.695 0.659 3.898 1.00 14.21 C ATOM 912 C ALA A 59 -2.809 1.372 4.714 1.00 62.11 C ATOM 913 O ALA A 59 -2.543 2.350 5.406 1.00 1.44 O ATOM 914 CB ALA A 59 -1.658 1.163 2.450 1.00 15.33 C ATOM 0 H ALA A 59 -2.100 -1.220 3.024 1.00 24.34 H new ATOM 0 HA ALA A 59 -0.742 0.901 4.368 1.00 14.21 H new ATOM 0 HB1 ALA A 59 -1.532 2.246 2.445 1.00 15.33 H new ATOM 0 HB2 ALA A 59 -0.824 0.698 1.924 1.00 15.33 H new ATOM 0 HB3 ALA A 59 -2.592 0.904 1.951 1.00 15.33 H new ATOM 920 N LEU A 60 -4.042 0.827 4.661 1.00 21.41 N ATOM 921 CA LEU A 60 -5.211 1.363 5.416 1.00 51.53 C ATOM 922 C LEU A 60 -5.275 0.844 6.875 1.00 73.24 C ATOM 923 O LEU A 60 -6.154 1.265 7.637 1.00 25.21 O ATOM 924 CB LEU A 60 -6.535 1.012 4.676 1.00 32.24 C ATOM 925 CG LEU A 60 -6.755 1.737 3.314 1.00 61.04 C ATOM 926 CD1 LEU A 60 -8.065 1.284 2.632 1.00 71.42 C ATOM 927 CD2 LEU A 60 -6.707 3.265 3.502 1.00 14.41 C ATOM 0 H LEU A 60 -4.263 0.006 4.098 1.00 21.41 H new ATOM 0 HA LEU A 60 -5.084 2.445 5.463 1.00 51.53 H new ATOM 0 HB2 LEU A 60 -6.560 -0.064 4.503 1.00 32.24 H new ATOM 0 HB3 LEU A 60 -7.372 1.249 5.333 1.00 32.24 H new ATOM 0 HG LEU A 60 -5.941 1.456 2.646 1.00 61.04 H new ATOM 0 HD11 LEU A 60 -8.184 1.811 1.685 1.00 71.42 H new ATOM 0 HD12 LEU A 60 -8.027 0.210 2.447 1.00 71.42 H new ATOM 0 HD13 LEU A 60 -8.911 1.510 3.282 1.00 71.42 H new ATOM 0 HD21 LEU A 60 -6.862 3.755 2.541 1.00 14.41 H new ATOM 0 HD22 LEU A 60 -7.490 3.571 4.196 1.00 14.41 H new ATOM 0 HD23 LEU A 60 -5.735 3.552 3.902 1.00 14.41 H new ATOM 939 N SER A 61 -4.358 -0.074 7.253 1.00 52.44 N ATOM 940 CA SER A 61 -4.320 -0.655 8.620 1.00 11.01 C ATOM 941 C SER A 61 -3.979 0.402 9.686 1.00 32.13 C ATOM 942 O SER A 61 -3.272 1.377 9.407 1.00 3.23 O ATOM 943 CB SER A 61 -3.284 -1.802 8.728 1.00 15.11 C ATOM 944 OG SER A 61 -1.941 -1.322 8.749 1.00 32.24 O ATOM 0 H SER A 61 -3.632 -0.431 6.632 1.00 52.44 H new ATOM 0 HA SER A 61 -5.321 -1.046 8.803 1.00 11.01 H new ATOM 0 HB2 SER A 61 -3.476 -2.377 9.634 1.00 15.11 H new ATOM 0 HB3 SER A 61 -3.411 -2.483 7.886 1.00 15.11 H new ATOM 0 HG SER A 61 -1.597 -1.271 7.833 1.00 32.24 H new ATOM 950 N GLU A 62 -4.452 0.162 10.917 1.00 11.12 N ATOM 951 CA GLU A 62 -4.101 0.977 12.096 1.00 41.13 C ATOM 952 C GLU A 62 -2.614 0.804 12.474 1.00 51.21 C ATOM 953 O GLU A 62 -2.005 1.708 13.035 1.00 22.21 O ATOM 954 CB GLU A 62 -5.028 0.606 13.288 1.00 61.11 C ATOM 955 CG GLU A 62 -6.503 1.050 13.111 1.00 14.00 C ATOM 956 CD GLU A 62 -6.681 2.585 13.170 1.00 64.41 C ATOM 957 OE1 GLU A 62 -6.480 3.269 12.141 1.00 51.13 O ATOM 958 OE2 GLU A 62 -6.990 3.120 14.259 1.00 54.20 O ATOM 0 H GLU A 62 -5.091 -0.605 11.127 1.00 11.12 H new ATOM 0 HA GLU A 62 -4.251 2.028 11.849 1.00 41.13 H new ATOM 0 HB2 GLU A 62 -5.001 -0.474 13.432 1.00 61.11 H new ATOM 0 HB3 GLU A 62 -4.631 1.059 14.197 1.00 61.11 H new ATOM 0 HG2 GLU A 62 -6.875 0.683 12.155 1.00 14.00 H new ATOM 0 HG3 GLU A 62 -7.112 0.589 13.889 1.00 14.00 H new ATOM 965 N LEU A 63 -2.034 -0.361 12.127 1.00 20.04 N ATOM 966 CA LEU A 63 -0.619 -0.681 12.437 1.00 5.45 C ATOM 967 C LEU A 63 0.347 0.290 11.712 1.00 2.11 C ATOM 968 O LEU A 63 1.334 0.747 12.293 1.00 32.42 O ATOM 969 CB LEU A 63 -0.286 -2.162 12.061 1.00 22.11 C ATOM 970 CG LEU A 63 -1.019 -3.297 12.865 1.00 10.41 C ATOM 971 CD1 LEU A 63 -0.850 -3.113 14.386 1.00 73.01 C ATOM 972 CD2 LEU A 63 -2.512 -3.443 12.465 1.00 3.25 C ATOM 0 H LEU A 63 -2.524 -1.104 11.628 1.00 20.04 H new ATOM 0 HA LEU A 63 -0.481 -0.558 13.511 1.00 5.45 H new ATOM 0 HB2 LEU A 63 -0.512 -2.299 11.003 1.00 22.11 H new ATOM 0 HB3 LEU A 63 0.788 -2.306 12.179 1.00 22.11 H new ATOM 0 HG LEU A 63 -0.535 -4.235 12.592 1.00 10.41 H new ATOM 0 HD11 LEU A 63 -1.370 -3.915 14.910 1.00 73.01 H new ATOM 0 HD12 LEU A 63 0.210 -3.140 14.640 1.00 73.01 H new ATOM 0 HD13 LEU A 63 -1.270 -2.153 14.685 1.00 73.01 H new ATOM 0 HD21 LEU A 63 -2.969 -4.240 13.051 1.00 3.25 H new ATOM 0 HD22 LEU A 63 -3.034 -2.506 12.658 1.00 3.25 H new ATOM 0 HD23 LEU A 63 -2.583 -3.685 11.405 1.00 3.25 H new ATOM 984 N TYR A 64 0.064 0.569 10.426 1.00 4.32 N ATOM 985 CA TYR A 64 0.812 1.577 9.643 1.00 55.11 C ATOM 986 C TYR A 64 0.370 3.023 9.996 1.00 31.30 C ATOM 987 O TYR A 64 1.209 3.879 10.308 1.00 5.34 O ATOM 988 CB TYR A 64 0.643 1.325 8.120 1.00 43.54 C ATOM 989 CG TYR A 64 1.383 2.345 7.218 1.00 51.21 C ATOM 990 CD1 TYR A 64 2.733 2.646 7.435 1.00 21.21 C ATOM 991 CD2 TYR A 64 0.738 2.999 6.160 1.00 44.42 C ATOM 992 CE1 TYR A 64 3.405 3.554 6.639 1.00 61.12 C ATOM 993 CE2 TYR A 64 1.413 3.905 5.357 1.00 61.21 C ATOM 994 CZ TYR A 64 2.746 4.177 5.603 1.00 74.42 C ATOM 995 OH TYR A 64 3.426 5.072 4.805 1.00 30.44 O ATOM 0 H TYR A 64 -0.681 0.109 9.903 1.00 4.32 H new ATOM 0 HA TYR A 64 1.865 1.474 9.905 1.00 55.11 H new ATOM 0 HB2 TYR A 64 1.004 0.323 7.887 1.00 43.54 H new ATOM 0 HB3 TYR A 64 -0.419 1.346 7.876 1.00 43.54 H new ATOM 0 HD1 TYR A 64 3.260 2.158 8.242 1.00 21.21 H new ATOM 0 HD2 TYR A 64 -0.304 2.793 5.967 1.00 44.42 H new ATOM 0 HE1 TYR A 64 4.445 3.775 6.829 1.00 61.12 H new ATOM 0 HE2 TYR A 64 0.900 4.396 4.543 1.00 61.21 H new ATOM 0 HH TYR A 64 4.212 4.633 4.417 1.00 30.44 H new ATOM 1005 N ARG A 65 -0.955 3.270 9.940 1.00 2.01 N ATOM 1006 CA ARG A 65 -1.530 4.635 10.015 1.00 1.42 C ATOM 1007 C ARG A 65 -1.249 5.290 11.387 1.00 12.12 C ATOM 1008 O ARG A 65 -0.686 6.368 11.439 1.00 54.24 O ATOM 1009 CB ARG A 65 -3.059 4.605 9.681 1.00 14.10 C ATOM 1010 CG ARG A 65 -3.680 5.965 9.229 1.00 53.23 C ATOM 1011 CD ARG A 65 -4.022 6.935 10.382 1.00 14.11 C ATOM 1012 NE ARG A 65 -5.053 6.383 11.274 1.00 23.03 N ATOM 1013 CZ ARG A 65 -6.344 6.634 11.195 1.00 24.14 C ATOM 1014 NH1 ARG A 65 -6.827 7.441 10.299 1.00 74.12 N ATOM 1015 NH2 ARG A 65 -7.149 6.065 12.021 1.00 35.33 N ATOM 0 H ARG A 65 -1.656 2.535 9.842 1.00 2.01 H new ATOM 0 HA ARG A 65 -1.040 5.256 9.265 1.00 1.42 H new ATOM 0 HB2 ARG A 65 -3.226 3.871 8.893 1.00 14.10 H new ATOM 0 HB3 ARG A 65 -3.598 4.255 10.562 1.00 14.10 H new ATOM 0 HG2 ARG A 65 -2.984 6.459 8.551 1.00 53.23 H new ATOM 0 HG3 ARG A 65 -4.588 5.763 8.661 1.00 53.23 H new ATOM 0 HD2 ARG A 65 -3.121 7.148 10.957 1.00 14.11 H new ATOM 0 HD3 ARG A 65 -4.368 7.882 9.969 1.00 14.11 H new ATOM 0 HE ARG A 65 -4.743 5.754 12.015 1.00 23.03 H new ATOM 0 HH11 ARG A 65 -6.202 7.898 9.634 1.00 74.12 H new ATOM 0 HH12 ARG A 65 -7.831 7.618 10.260 1.00 74.12 H new ATOM 0 HH21 ARG A 65 -6.786 5.426 12.729 1.00 35.33 H new ATOM 0 HH22 ARG A 65 -8.150 6.252 11.968 1.00 35.33 H new ATOM 1029 N GLU A 66 -1.619 4.616 12.484 1.00 30.15 N ATOM 1030 CA GLU A 66 -1.420 5.139 13.863 1.00 63.42 C ATOM 1031 C GLU A 66 0.082 5.423 14.142 1.00 30.44 C ATOM 1032 O GLU A 66 0.451 6.517 14.576 1.00 73.20 O ATOM 1033 CB GLU A 66 -2.003 4.100 14.871 1.00 63.12 C ATOM 1034 CG GLU A 66 -2.149 4.531 16.349 1.00 52.15 C ATOM 1035 CD GLU A 66 -0.833 4.619 17.142 1.00 65.12 C ATOM 1036 OE1 GLU A 66 -0.250 3.558 17.444 1.00 31.22 O ATOM 1037 OE2 GLU A 66 -0.379 5.742 17.466 1.00 63.53 O ATOM 0 H GLU A 66 -2.063 3.698 12.453 1.00 30.15 H new ATOM 0 HA GLU A 66 -1.943 6.089 13.978 1.00 63.42 H new ATOM 0 HB2 GLU A 66 -2.987 3.800 14.511 1.00 63.12 H new ATOM 0 HB3 GLU A 66 -1.369 3.214 14.842 1.00 63.12 H new ATOM 0 HG2 GLU A 66 -2.638 5.505 16.380 1.00 52.15 H new ATOM 0 HG3 GLU A 66 -2.811 3.826 16.852 1.00 52.15 H new ATOM 1044 N LYS A 67 0.932 4.436 13.826 1.00 60.34 N ATOM 1045 CA LYS A 67 2.371 4.463 14.158 1.00 21.45 C ATOM 1046 C LYS A 67 3.139 5.580 13.392 1.00 23.04 C ATOM 1047 O LYS A 67 3.972 6.274 13.973 1.00 51.12 O ATOM 1048 CB LYS A 67 2.983 3.064 13.875 1.00 34.24 C ATOM 1049 CG LYS A 67 4.449 2.875 14.335 1.00 55.41 C ATOM 1050 CD LYS A 67 4.942 1.412 14.166 1.00 73.24 C ATOM 1051 CE LYS A 67 6.384 1.202 14.666 1.00 21.20 C ATOM 1052 NZ LYS A 67 6.792 -0.225 14.573 1.00 3.32 N ATOM 0 H LYS A 67 0.644 3.592 13.331 1.00 60.34 H new ATOM 0 HA LYS A 67 2.473 4.701 15.217 1.00 21.45 H new ATOM 0 HB2 LYS A 67 2.366 2.311 14.365 1.00 34.24 H new ATOM 0 HB3 LYS A 67 2.929 2.873 12.803 1.00 34.24 H new ATOM 0 HG2 LYS A 67 5.095 3.541 13.762 1.00 55.41 H new ATOM 0 HG3 LYS A 67 4.538 3.166 15.382 1.00 55.41 H new ATOM 0 HD2 LYS A 67 4.274 0.744 14.710 1.00 73.24 H new ATOM 0 HD3 LYS A 67 4.884 1.134 13.114 1.00 73.24 H new ATOM 0 HE2 LYS A 67 7.067 1.816 14.078 1.00 21.20 H new ATOM 0 HE3 LYS A 67 6.464 1.537 15.700 1.00 21.20 H new ATOM 0 HZ1 LYS A 67 7.768 -0.330 14.918 1.00 3.32 H new ATOM 0 HZ2 LYS A 67 6.155 -0.807 15.154 1.00 3.32 H new ATOM 0 HZ3 LYS A 67 6.739 -0.537 13.582 1.00 3.32 H new ATOM 1066 N PHE A 68 2.843 5.757 12.093 1.00 42.43 N ATOM 1067 CA PHE A 68 3.579 6.715 11.216 1.00 62.54 C ATOM 1068 C PHE A 68 2.860 8.080 11.021 1.00 73.35 C ATOM 1069 O PHE A 68 3.480 9.026 10.543 1.00 14.13 O ATOM 1070 CB PHE A 68 3.879 6.035 9.854 1.00 64.33 C ATOM 1071 CG PHE A 68 4.913 4.910 9.947 1.00 22.52 C ATOM 1072 CD1 PHE A 68 4.549 3.626 10.369 1.00 24.11 C ATOM 1073 CD2 PHE A 68 6.256 5.145 9.639 1.00 22.02 C ATOM 1074 CE1 PHE A 68 5.490 2.622 10.479 1.00 30.54 C ATOM 1075 CE2 PHE A 68 7.193 4.134 9.747 1.00 2.44 C ATOM 1076 CZ PHE A 68 6.809 2.877 10.170 1.00 14.04 C ATOM 0 H PHE A 68 2.097 5.251 11.615 1.00 42.43 H new ATOM 0 HA PHE A 68 4.511 6.962 11.724 1.00 62.54 H new ATOM 0 HB2 PHE A 68 2.952 5.633 9.446 1.00 64.33 H new ATOM 0 HB3 PHE A 68 4.236 6.788 9.152 1.00 64.33 H new ATOM 0 HD1 PHE A 68 3.517 3.418 10.612 1.00 24.11 H new ATOM 0 HD2 PHE A 68 6.565 6.127 9.313 1.00 22.02 H new ATOM 0 HE1 PHE A 68 5.193 1.637 10.807 1.00 30.54 H new ATOM 0 HE2 PHE A 68 8.226 4.328 9.500 1.00 2.44 H new ATOM 0 HZ PHE A 68 7.544 2.091 10.259 1.00 14.04 H new ATOM 1086 N PHE A 69 1.557 8.181 11.335 1.00 24.33 N ATOM 1087 CA PHE A 69 0.824 9.483 11.282 1.00 34.44 C ATOM 1088 C PHE A 69 0.874 10.239 12.641 1.00 53.04 C ATOM 1089 O PHE A 69 0.955 11.472 12.668 1.00 41.21 O ATOM 1090 CB PHE A 69 -0.641 9.276 10.810 1.00 74.24 C ATOM 1091 CG PHE A 69 -1.481 10.552 10.740 1.00 35.00 C ATOM 1092 CD1 PHE A 69 -1.225 11.523 9.772 1.00 75.14 C ATOM 1093 CD2 PHE A 69 -2.513 10.790 11.654 1.00 41.32 C ATOM 1094 CE1 PHE A 69 -1.969 12.685 9.725 1.00 64.43 C ATOM 1095 CE2 PHE A 69 -3.254 11.952 11.598 1.00 32.42 C ATOM 1096 CZ PHE A 69 -2.981 12.899 10.637 1.00 64.21 C ATOM 0 H PHE A 69 0.983 7.390 11.627 1.00 24.33 H new ATOM 0 HA PHE A 69 1.333 10.110 10.550 1.00 34.44 H new ATOM 0 HB2 PHE A 69 -0.628 8.813 9.823 1.00 74.24 H new ATOM 0 HB3 PHE A 69 -1.129 8.574 11.485 1.00 74.24 H new ATOM 0 HD1 PHE A 69 -0.436 11.364 9.052 1.00 75.14 H new ATOM 0 HD2 PHE A 69 -2.732 10.054 12.413 1.00 41.32 H new ATOM 0 HE1 PHE A 69 -1.758 13.429 8.971 1.00 64.43 H new ATOM 0 HE2 PHE A 69 -4.049 12.119 12.309 1.00 32.42 H new ATOM 0 HZ PHE A 69 -3.560 13.810 10.597 1.00 64.21 H new ATOM 1106 N HIS A 70 0.794 9.504 13.773 1.00 32.32 N ATOM 1107 CA HIS A 70 0.772 10.130 15.132 1.00 13.04 C ATOM 1108 C HIS A 70 2.194 10.437 15.648 1.00 33.21 C ATOM 1109 O HIS A 70 2.423 11.460 16.295 1.00 20.22 O ATOM 1110 CB HIS A 70 0.043 9.219 16.153 1.00 61.11 C ATOM 1111 CG HIS A 70 -1.410 8.964 15.864 1.00 0.43 C ATOM 1112 ND1 HIS A 70 -2.128 7.984 16.500 1.00 70.15 N ATOM 1113 CD2 HIS A 70 -2.285 9.575 15.032 1.00 43.42 C ATOM 1114 CE1 HIS A 70 -3.369 7.999 16.079 1.00 70.41 C ATOM 1115 NE2 HIS A 70 -3.497 8.952 15.189 1.00 21.31 N ATOM 0 H HIS A 70 0.744 8.485 13.783 1.00 32.32 H new ATOM 0 HA HIS A 70 0.229 11.070 15.033 1.00 13.04 H new ATOM 0 HB2 HIS A 70 0.562 8.261 16.195 1.00 61.11 H new ATOM 0 HB3 HIS A 70 0.126 9.670 17.142 1.00 61.11 H new ATOM 0 HD1 HIS A 70 -1.753 7.340 17.196 1.00 70.15 H new ATOM 0 HD2 HIS A 70 -2.069 10.399 14.368 1.00 43.42 H new ATOM 0 HE1 HIS A 70 -4.155 7.336 16.410 1.00 70.41 H new ATOM 1124 N ASN A 71 3.150 9.547 15.345 1.00 41.40 N ATOM 1125 CA ASN A 71 4.542 9.657 15.853 1.00 54.14 C ATOM 1126 C ASN A 71 5.478 10.358 14.832 1.00 15.10 C ATOM 1127 O ASN A 71 6.671 10.532 15.098 1.00 3.14 O ATOM 1128 CB ASN A 71 5.070 8.245 16.212 1.00 71.12 C ATOM 1129 CG ASN A 71 4.188 7.544 17.247 1.00 10.42 C ATOM 1130 OD1 ASN A 71 4.427 7.636 18.441 1.00 35.20 O ATOM 1131 ND2 ASN A 71 3.149 6.863 16.799 1.00 63.30 N ATOM 0 H ASN A 71 2.992 8.735 14.748 1.00 41.40 H new ATOM 0 HA ASN A 71 4.534 10.279 16.748 1.00 54.14 H new ATOM 0 HB2 ASN A 71 5.120 7.637 15.309 1.00 71.12 H new ATOM 0 HB3 ASN A 71 6.086 8.326 16.598 1.00 71.12 H new ATOM 0 HD21 ASN A 71 2.523 6.398 17.456 1.00 63.30 H new ATOM 0 HD22 ASN A 71 2.973 6.803 15.796 1.00 63.30 H new ATOM 1138 N ASN A 72 4.913 10.761 13.679 1.00 15.33 N ATOM 1139 CA ASN A 72 5.655 11.404 12.570 1.00 60.54 C ATOM 1140 C ASN A 72 4.745 12.438 11.849 1.00 55.32 C ATOM 1141 O ASN A 72 3.519 12.302 11.865 1.00 51.45 O ATOM 1142 CB ASN A 72 6.144 10.295 11.595 1.00 30.12 C ATOM 1143 CG ASN A 72 6.930 10.788 10.383 1.00 1.44 C ATOM 1144 OD1 ASN A 72 7.694 11.745 10.461 1.00 45.23 O ATOM 1145 ND2 ASN A 72 6.720 10.152 9.243 1.00 62.42 N ATOM 0 H ASN A 72 3.918 10.650 13.486 1.00 15.33 H new ATOM 0 HA ASN A 72 6.521 11.944 12.953 1.00 60.54 H new ATOM 0 HB2 ASN A 72 6.768 9.595 12.151 1.00 30.12 H new ATOM 0 HB3 ASN A 72 5.277 9.737 11.242 1.00 30.12 H new ATOM 0 HD21 ASN A 72 7.200 10.454 8.395 1.00 62.42 H new ATOM 0 HD22 ASN A 72 6.078 9.360 9.212 1.00 62.42 H new ATOM 1152 N ALA A 73 5.363 13.458 11.217 1.00 33.13 N ATOM 1153 CA ALA A 73 4.638 14.534 10.490 1.00 31.41 C ATOM 1154 C ALA A 73 3.983 13.997 9.194 1.00 51.23 C ATOM 1155 O ALA A 73 4.594 13.194 8.500 1.00 33.24 O ATOM 1156 CB ALA A 73 5.601 15.695 10.166 1.00 22.34 C ATOM 0 H ALA A 73 6.377 13.563 11.193 1.00 33.13 H new ATOM 0 HA ALA A 73 3.841 14.902 11.136 1.00 31.41 H new ATOM 0 HB1 ALA A 73 5.061 16.478 9.634 1.00 22.34 H new ATOM 0 HB2 ALA A 73 6.007 16.100 11.093 1.00 22.34 H new ATOM 0 HB3 ALA A 73 6.416 15.328 9.542 1.00 22.34 H new ATOM 1162 N HIS A 74 2.738 14.447 8.886 1.00 75.33 N ATOM 1163 CA HIS A 74 1.957 13.957 7.712 1.00 45.54 C ATOM 1164 C HIS A 74 2.688 14.180 6.357 1.00 53.23 C ATOM 1165 O HIS A 74 2.559 13.363 5.446 1.00 42.42 O ATOM 1166 CB HIS A 74 0.547 14.600 7.671 1.00 74.05 C ATOM 1167 CG HIS A 74 -0.347 14.058 6.564 1.00 42.20 C ATOM 1168 ND1 HIS A 74 -0.669 12.770 6.256 1.00 43.32 N flip ATOM 1169 CD2 HIS A 74 -0.992 14.888 5.686 1.00 3.45 C flip ATOM 1170 CE1 HIS A 74 -1.518 12.815 5.183 1.00 52.01 C flip ATOM 1171 NE2 HIS A 74 -1.679 14.104 4.878 1.00 64.22 N flip ATOM 0 H HIS A 74 2.249 15.153 9.437 1.00 75.33 H new ATOM 0 HA HIS A 74 1.856 12.880 7.847 1.00 45.54 H new ATOM 0 HB2 HIS A 74 0.057 14.439 8.631 1.00 74.05 H new ATOM 0 HB3 HIS A 74 0.653 15.677 7.544 1.00 74.05 H new ATOM 0 HD1 HIS A 74 -0.340 11.931 6.734 1.00 43.32 H new ATOM 0 HD2 HIS A 74 -0.947 15.967 5.660 1.00 3.45 H new ATOM 0 HE1 HIS A 74 -1.969 11.972 4.681 1.00 52.01 H new ATOM 1179 N ASN A 75 3.458 15.281 6.240 1.00 51.11 N ATOM 1180 CA ASN A 75 4.308 15.545 5.046 1.00 12.42 C ATOM 1181 C ASN A 75 5.350 14.405 4.860 1.00 5.11 C ATOM 1182 O ASN A 75 5.473 13.831 3.772 1.00 35.23 O ATOM 1183 CB ASN A 75 5.011 16.918 5.184 1.00 55.22 C ATOM 1184 CG ASN A 75 5.826 17.312 3.943 1.00 31.40 C ATOM 1185 OD1 ASN A 75 5.335 17.999 3.055 1.00 23.35 O ATOM 1186 ND2 ASN A 75 7.068 16.871 3.865 1.00 61.21 N ATOM 0 H ASN A 75 3.513 16.006 6.955 1.00 51.11 H new ATOM 0 HA ASN A 75 3.673 15.572 4.160 1.00 12.42 H new ATOM 0 HB2 ASN A 75 4.260 17.685 5.375 1.00 55.22 H new ATOM 0 HB3 ASN A 75 5.671 16.895 6.051 1.00 55.22 H new ATOM 0 HD21 ASN A 75 7.641 17.101 3.053 1.00 61.21 H new ATOM 0 HD22 ASN A 75 7.455 16.301 4.617 1.00 61.21 H new ATOM 1193 N ARG A 76 6.066 14.079 5.958 1.00 72.33 N ATOM 1194 CA ARG A 76 7.005 12.932 6.011 1.00 44.31 C ATOM 1195 C ARG A 76 6.285 11.584 5.788 1.00 72.13 C ATOM 1196 O ARG A 76 6.842 10.690 5.177 1.00 21.41 O ATOM 1197 CB ARG A 76 7.752 12.893 7.373 1.00 53.51 C ATOM 1198 CG ARG A 76 8.824 13.979 7.565 1.00 62.22 C ATOM 1199 CD ARG A 76 9.942 13.866 6.511 1.00 13.13 C ATOM 1200 NE ARG A 76 10.574 12.534 6.490 1.00 24.31 N ATOM 1201 CZ ARG A 76 11.162 11.979 5.458 1.00 52.54 C ATOM 1202 NH1 ARG A 76 11.174 12.551 4.294 1.00 74.21 N ATOM 1203 NH2 ARG A 76 11.727 10.831 5.599 1.00 24.44 N ATOM 0 H ARG A 76 6.011 14.601 6.832 1.00 72.33 H new ATOM 0 HA ARG A 76 7.722 13.077 5.203 1.00 44.31 H new ATOM 0 HB2 ARG A 76 7.018 12.984 8.174 1.00 53.51 H new ATOM 0 HB3 ARG A 76 8.224 11.916 7.482 1.00 53.51 H new ATOM 0 HG2 ARG A 76 8.361 14.964 7.501 1.00 62.22 H new ATOM 0 HG3 ARG A 76 9.254 13.894 8.563 1.00 62.22 H new ATOM 0 HD2 ARG A 76 9.530 14.083 5.526 1.00 13.13 H new ATOM 0 HD3 ARG A 76 10.702 14.621 6.712 1.00 13.13 H new ATOM 0 HE ARG A 76 10.552 11.996 7.356 1.00 24.31 H new ATOM 0 HH11 ARG A 76 10.719 13.455 4.165 1.00 74.21 H new ATOM 0 HH12 ARG A 76 11.639 12.097 3.508 1.00 74.21 H new ATOM 0 HH21 ARG A 76 11.714 10.364 6.506 1.00 24.44 H new ATOM 0 HH22 ARG A 76 12.188 10.388 4.804 1.00 24.44 H new ATOM 1217 N PHE A 77 5.048 11.465 6.302 1.00 41.53 N ATOM 1218 CA PHE A 77 4.204 10.259 6.156 1.00 63.13 C ATOM 1219 C PHE A 77 3.876 9.992 4.666 1.00 51.32 C ATOM 1220 O PHE A 77 3.846 8.844 4.247 1.00 2.01 O ATOM 1221 CB PHE A 77 2.910 10.434 6.999 1.00 1.30 C ATOM 1222 CG PHE A 77 1.878 9.308 6.891 1.00 25.24 C ATOM 1223 CD1 PHE A 77 2.057 8.106 7.570 1.00 13.14 C ATOM 1224 CD2 PHE A 77 0.722 9.456 6.121 1.00 54.42 C ATOM 1225 CE1 PHE A 77 1.122 7.094 7.489 1.00 14.11 C ATOM 1226 CE2 PHE A 77 -0.213 8.444 6.043 1.00 52.00 C ATOM 1227 CZ PHE A 77 -0.012 7.263 6.728 1.00 3.45 C ATOM 0 H PHE A 77 4.599 12.209 6.836 1.00 41.53 H new ATOM 0 HA PHE A 77 4.749 9.390 6.525 1.00 63.13 H new ATOM 0 HB2 PHE A 77 3.194 10.539 8.046 1.00 1.30 H new ATOM 0 HB3 PHE A 77 2.431 11.368 6.703 1.00 1.30 H new ATOM 0 HD1 PHE A 77 2.943 7.963 8.171 1.00 13.14 H new ATOM 0 HD2 PHE A 77 0.558 10.376 5.579 1.00 54.42 H new ATOM 0 HE1 PHE A 77 1.280 6.169 8.023 1.00 14.11 H new ATOM 0 HE2 PHE A 77 -1.103 8.576 5.445 1.00 52.00 H new ATOM 0 HZ PHE A 77 -0.744 6.472 6.667 1.00 3.45 H new ATOM 1237 N ILE A 78 3.644 11.076 3.888 1.00 31.31 N ATOM 1238 CA ILE A 78 3.427 11.007 2.417 1.00 61.23 C ATOM 1239 C ILE A 78 4.742 10.634 1.674 1.00 41.14 C ATOM 1240 O ILE A 78 4.722 9.838 0.728 1.00 20.31 O ATOM 1241 CB ILE A 78 2.843 12.371 1.863 1.00 22.53 C ATOM 1242 CG1 ILE A 78 1.442 12.664 2.500 1.00 45.12 C ATOM 1243 CG2 ILE A 78 2.757 12.385 0.306 1.00 24.02 C ATOM 1244 CD1 ILE A 78 0.834 14.009 2.126 1.00 41.22 C ATOM 0 H ILE A 78 3.601 12.025 4.260 1.00 31.31 H new ATOM 0 HA ILE A 78 2.695 10.222 2.228 1.00 61.23 H new ATOM 0 HB ILE A 78 3.534 13.163 2.151 1.00 22.53 H new ATOM 0 HG12 ILE A 78 0.752 11.875 2.202 1.00 45.12 H new ATOM 0 HG13 ILE A 78 1.535 12.613 3.585 1.00 45.12 H new ATOM 0 HG21 ILE A 78 2.351 13.340 -0.027 1.00 24.02 H new ATOM 0 HG22 ILE A 78 3.753 12.248 -0.115 1.00 24.02 H new ATOM 0 HG23 ILE A 78 2.107 11.577 -0.030 1.00 24.02 H new ATOM 0 HD11 ILE A 78 -0.134 14.119 2.615 1.00 41.22 H new ATOM 0 HD12 ILE A 78 1.498 14.811 2.449 1.00 41.22 H new ATOM 0 HD13 ILE A 78 0.702 14.061 1.045 1.00 41.22 H new ATOM 1256 N GLU A 79 5.880 11.206 2.131 1.00 21.22 N ATOM 1257 CA GLU A 79 7.226 10.895 1.569 1.00 70.43 C ATOM 1258 C GLU A 79 7.612 9.413 1.787 1.00 51.23 C ATOM 1259 O GLU A 79 8.222 8.773 0.914 1.00 72.24 O ATOM 1260 CB GLU A 79 8.298 11.842 2.171 1.00 73.22 C ATOM 1261 CG GLU A 79 8.108 13.324 1.794 1.00 70.34 C ATOM 1262 CD GLU A 79 9.224 14.222 2.344 1.00 21.12 C ATOM 1263 OE1 GLU A 79 10.282 14.342 1.687 1.00 44.51 O ATOM 1264 OE2 GLU A 79 9.075 14.775 3.451 1.00 33.35 O ATOM 0 H GLU A 79 5.898 11.888 2.889 1.00 21.22 H new ATOM 0 HA GLU A 79 7.181 11.061 0.493 1.00 70.43 H new ATOM 0 HB2 GLU A 79 8.281 11.749 3.257 1.00 73.22 H new ATOM 0 HB3 GLU A 79 9.284 11.517 1.838 1.00 73.22 H new ATOM 0 HG2 GLU A 79 8.074 13.417 0.709 1.00 70.34 H new ATOM 0 HG3 GLU A 79 7.147 13.671 2.174 1.00 70.34 H new ATOM 1271 N LEU A 80 7.223 8.881 2.953 1.00 41.21 N ATOM 1272 CA LEU A 80 7.404 7.463 3.304 1.00 12.15 C ATOM 1273 C LEU A 80 6.378 6.591 2.550 1.00 42.43 C ATOM 1274 O LEU A 80 6.714 5.520 2.065 1.00 14.41 O ATOM 1275 CB LEU A 80 7.290 7.270 4.844 1.00 3.23 C ATOM 1276 CG LEU A 80 8.377 8.010 5.691 1.00 43.33 C ATOM 1277 CD1 LEU A 80 8.117 7.875 7.209 1.00 54.41 C ATOM 1278 CD2 LEU A 80 9.802 7.537 5.309 1.00 62.10 C ATOM 0 H LEU A 80 6.770 9.426 3.687 1.00 41.21 H new ATOM 0 HA LEU A 80 8.401 7.145 3.000 1.00 12.15 H new ATOM 0 HB2 LEU A 80 6.307 7.613 5.165 1.00 3.23 H new ATOM 0 HB3 LEU A 80 7.344 6.204 5.065 1.00 3.23 H new ATOM 0 HG LEU A 80 8.308 9.072 5.453 1.00 43.33 H new ATOM 0 HD11 LEU A 80 8.895 8.403 7.760 1.00 54.41 H new ATOM 0 HD12 LEU A 80 7.145 8.305 7.451 1.00 54.41 H new ATOM 0 HD13 LEU A 80 8.127 6.821 7.488 1.00 54.41 H new ATOM 0 HD21 LEU A 80 10.536 8.069 5.914 1.00 62.10 H new ATOM 0 HD22 LEU A 80 9.890 6.466 5.490 1.00 62.10 H new ATOM 0 HD23 LEU A 80 9.983 7.743 4.254 1.00 62.10 H new ATOM 1290 N ASN A 81 5.140 7.096 2.418 1.00 10.35 N ATOM 1291 CA ASN A 81 4.024 6.369 1.761 1.00 71.13 C ATOM 1292 C ASN A 81 4.359 6.066 0.274 1.00 23.14 C ATOM 1293 O ASN A 81 4.108 4.975 -0.215 1.00 21.10 O ATOM 1294 CB ASN A 81 2.713 7.206 1.876 1.00 23.03 C ATOM 1295 CG ASN A 81 1.428 6.391 1.744 1.00 14.14 C ATOM 1296 OD1 ASN A 81 1.386 5.217 2.092 1.00 22.44 O ATOM 1297 ND2 ASN A 81 0.360 7.015 1.278 1.00 22.10 N ATOM 0 H ASN A 81 4.878 8.020 2.762 1.00 10.35 H new ATOM 0 HA ASN A 81 3.879 5.415 2.267 1.00 71.13 H new ATOM 0 HB2 ASN A 81 2.707 7.717 2.839 1.00 23.03 H new ATOM 0 HB3 ASN A 81 2.720 7.977 1.105 1.00 23.03 H new ATOM 0 HD21 ASN A 81 -0.528 6.519 1.201 1.00 22.10 H new ATOM 0 HD22 ASN A 81 0.424 7.993 0.995 1.00 22.10 H new ATOM 1304 N PHE A 82 4.980 7.047 -0.408 1.00 74.34 N ATOM 1305 CA PHE A 82 5.372 6.937 -1.838 1.00 25.14 C ATOM 1306 C PHE A 82 6.523 5.939 -2.081 1.00 63.33 C ATOM 1307 O PHE A 82 6.522 5.256 -3.102 1.00 51.24 O ATOM 1308 CB PHE A 82 5.745 8.332 -2.413 1.00 44.24 C ATOM 1309 CG PHE A 82 4.570 9.097 -3.010 1.00 63.50 C ATOM 1310 CD1 PHE A 82 3.431 9.374 -2.252 1.00 2.15 C ATOM 1311 CD2 PHE A 82 4.608 9.537 -4.334 1.00 30.22 C ATOM 1312 CE1 PHE A 82 2.368 10.063 -2.801 1.00 4.32 C ATOM 1313 CE2 PHE A 82 3.552 10.225 -4.877 1.00 34.23 C ATOM 1314 CZ PHE A 82 2.430 10.489 -4.111 1.00 12.33 C ATOM 0 H PHE A 82 5.227 7.943 0.012 1.00 74.34 H new ATOM 0 HA PHE A 82 4.500 6.545 -2.362 1.00 25.14 H new ATOM 0 HB2 PHE A 82 6.189 8.933 -1.619 1.00 44.24 H new ATOM 0 HB3 PHE A 82 6.508 8.204 -3.181 1.00 44.24 H new ATOM 0 HD1 PHE A 82 3.381 9.046 -1.224 1.00 2.15 H new ATOM 0 HD2 PHE A 82 5.479 9.333 -4.939 1.00 30.22 H new ATOM 0 HE1 PHE A 82 1.490 10.268 -2.206 1.00 4.32 H new ATOM 0 HE2 PHE A 82 3.597 10.561 -5.903 1.00 34.23 H new ATOM 0 HZ PHE A 82 1.600 11.030 -4.541 1.00 12.33 H new ATOM 1324 N LYS A 83 7.523 5.888 -1.185 1.00 23.22 N ATOM 1325 CA LYS A 83 8.630 4.904 -1.309 1.00 74.52 C ATOM 1326 C LYS A 83 8.156 3.472 -0.969 1.00 65.20 C ATOM 1327 O LYS A 83 8.760 2.489 -1.413 1.00 64.54 O ATOM 1328 CB LYS A 83 9.863 5.307 -0.463 1.00 70.12 C ATOM 1329 CG LYS A 83 9.634 5.376 1.060 1.00 54.32 C ATOM 1330 CD LYS A 83 10.919 5.709 1.846 1.00 72.41 C ATOM 1331 CE LYS A 83 11.563 7.035 1.399 1.00 60.53 C ATOM 1332 NZ LYS A 83 12.859 7.274 2.067 1.00 21.22 N ATOM 0 H LYS A 83 7.595 6.504 -0.375 1.00 23.22 H new ATOM 0 HA LYS A 83 8.944 4.909 -2.353 1.00 74.52 H new ATOM 0 HB2 LYS A 83 10.664 4.595 -0.660 1.00 70.12 H new ATOM 0 HB3 LYS A 83 10.212 6.282 -0.804 1.00 70.12 H new ATOM 0 HG2 LYS A 83 8.877 6.130 1.275 1.00 54.32 H new ATOM 0 HG3 LYS A 83 9.239 4.421 1.407 1.00 54.32 H new ATOM 0 HD2 LYS A 83 10.686 5.764 2.909 1.00 72.41 H new ATOM 0 HD3 LYS A 83 11.638 4.900 1.719 1.00 72.41 H new ATOM 0 HE2 LYS A 83 11.709 7.021 0.319 1.00 60.53 H new ATOM 0 HE3 LYS A 83 10.885 7.860 1.618 1.00 60.53 H new ATOM 0 HZ1 LYS A 83 13.258 8.176 1.738 1.00 21.22 H new ATOM 0 HZ2 LYS A 83 12.717 7.313 3.096 1.00 21.22 H new ATOM 0 HZ3 LYS A 83 13.516 6.501 1.837 1.00 21.22 H new ATOM 1346 N HIS A 84 7.081 3.370 -0.164 1.00 33.35 N ATOM 1347 CA HIS A 84 6.439 2.084 0.167 1.00 13.15 C ATOM 1348 C HIS A 84 5.552 1.574 -1.002 1.00 44.31 C ATOM 1349 O HIS A 84 5.652 0.417 -1.408 1.00 71.33 O ATOM 1350 CB HIS A 84 5.589 2.238 1.462 1.00 25.25 C ATOM 1351 CG HIS A 84 6.387 2.646 2.683 1.00 33.23 C ATOM 1352 ND1 HIS A 84 5.837 3.327 3.753 1.00 43.43 N ATOM 1353 CD2 HIS A 84 7.694 2.455 3.008 1.00 33.55 C ATOM 1354 CE1 HIS A 84 6.763 3.539 4.667 1.00 54.21 C ATOM 1355 NE2 HIS A 84 7.894 3.021 4.240 1.00 63.03 N ATOM 0 H HIS A 84 6.634 4.175 0.274 1.00 33.35 H new ATOM 0 HA HIS A 84 7.223 1.345 0.334 1.00 13.15 H new ATOM 0 HB2 HIS A 84 4.810 2.980 1.286 1.00 25.25 H new ATOM 0 HB3 HIS A 84 5.087 1.293 1.669 1.00 25.25 H new ATOM 0 HD2 HIS A 84 8.436 1.951 2.407 1.00 33.55 H new ATOM 0 HE1 HIS A 84 6.618 4.051 5.607 1.00 54.21 H new ATOM 0 HE2 HIS A 84 8.780 3.038 4.746 1.00 63.03 H new ATOM 1364 N LEU A 85 4.727 2.467 -1.576 1.00 45.52 N ATOM 1365 CA LEU A 85 3.668 2.067 -2.540 1.00 31.24 C ATOM 1366 C LEU A 85 4.115 2.184 -4.030 1.00 11.13 C ATOM 1367 O LEU A 85 3.733 1.360 -4.861 1.00 41.10 O ATOM 1368 CB LEU A 85 2.424 2.970 -2.297 1.00 40.13 C ATOM 1369 CG LEU A 85 1.778 2.910 -0.870 1.00 30.31 C ATOM 1370 CD1 LEU A 85 0.591 3.891 -0.760 1.00 13.42 C ATOM 1371 CD2 LEU A 85 1.356 1.470 -0.493 1.00 60.10 C ATOM 0 H LEU A 85 4.767 3.470 -1.394 1.00 45.52 H new ATOM 0 HA LEU A 85 3.441 1.015 -2.369 1.00 31.24 H new ATOM 0 HB2 LEU A 85 2.709 4.003 -2.498 1.00 40.13 H new ATOM 0 HB3 LEU A 85 1.661 2.702 -3.027 1.00 40.13 H new ATOM 0 HG LEU A 85 2.537 3.220 -0.152 1.00 30.31 H new ATOM 0 HD11 LEU A 85 0.160 3.830 0.239 1.00 13.42 H new ATOM 0 HD12 LEU A 85 0.940 4.907 -0.943 1.00 13.42 H new ATOM 0 HD13 LEU A 85 -0.167 3.629 -1.498 1.00 13.42 H new ATOM 0 HD21 LEU A 85 0.913 1.470 0.503 1.00 60.10 H new ATOM 0 HD22 LEU A 85 0.626 1.104 -1.215 1.00 60.10 H new ATOM 0 HD23 LEU A 85 2.231 0.821 -0.501 1.00 60.10 H new ATOM 1383 N LEU A 86 4.958 3.175 -4.345 1.00 52.41 N ATOM 1384 CA LEU A 86 5.434 3.439 -5.742 1.00 11.10 C ATOM 1385 C LEU A 86 6.969 3.320 -5.861 1.00 42.02 C ATOM 1386 O LEU A 86 7.510 3.284 -6.975 1.00 43.35 O ATOM 1387 CB LEU A 86 4.966 4.854 -6.201 1.00 34.11 C ATOM 1388 CG LEU A 86 3.430 5.025 -6.437 1.00 74.23 C ATOM 1389 CD1 LEU A 86 3.064 6.499 -6.728 1.00 13.04 C ATOM 1390 CD2 LEU A 86 2.934 4.086 -7.568 1.00 41.12 C ATOM 0 H LEU A 86 5.338 3.823 -3.655 1.00 52.41 H new ATOM 0 HA LEU A 86 4.998 2.680 -6.392 1.00 11.10 H new ATOM 0 HB2 LEU A 86 5.281 5.580 -5.452 1.00 34.11 H new ATOM 0 HB3 LEU A 86 5.486 5.104 -7.126 1.00 34.11 H new ATOM 0 HG LEU A 86 2.919 4.739 -5.518 1.00 74.23 H new ATOM 0 HD11 LEU A 86 1.989 6.582 -6.887 1.00 13.04 H new ATOM 0 HD12 LEU A 86 3.355 7.120 -5.881 1.00 13.04 H new ATOM 0 HD13 LEU A 86 3.590 6.835 -7.621 1.00 13.04 H new ATOM 0 HD21 LEU A 86 1.862 4.225 -7.712 1.00 41.12 H new ATOM 0 HD22 LEU A 86 3.458 4.323 -8.494 1.00 41.12 H new ATOM 0 HD23 LEU A 86 3.132 3.050 -7.294 1.00 41.12 H new ATOM 1402 N GLY A 87 7.659 3.278 -4.709 1.00 61.11 N ATOM 1403 CA GLY A 87 9.117 3.195 -4.666 1.00 25.13 C ATOM 1404 C GLY A 87 9.838 4.467 -5.112 1.00 50.51 C ATOM 1405 O GLY A 87 10.940 4.391 -5.669 1.00 11.13 O ATOM 0 H GLY A 87 7.219 3.301 -3.789 1.00 61.11 H new ATOM 0 HA2 GLY A 87 9.425 2.956 -3.648 1.00 25.13 H new ATOM 0 HA3 GLY A 87 9.440 2.369 -5.299 1.00 25.13 H new ATOM 1409 N ARG A 88 9.228 5.642 -4.853 1.00 14.45 N ATOM 1410 CA ARG A 88 9.800 6.946 -5.264 1.00 31.31 C ATOM 1411 C ARG A 88 9.679 8.013 -4.153 1.00 22.23 C ATOM 1412 O ARG A 88 9.085 7.776 -3.097 1.00 21.40 O ATOM 1413 CB ARG A 88 9.119 7.441 -6.576 1.00 4.12 C ATOM 1414 CG ARG A 88 7.670 7.972 -6.428 1.00 44.54 C ATOM 1415 CD ARG A 88 7.087 8.431 -7.778 1.00 1.01 C ATOM 1416 NE ARG A 88 5.830 9.193 -7.640 1.00 1.33 N ATOM 1417 CZ ARG A 88 4.837 9.168 -8.500 1.00 11.23 C ATOM 1418 NH1 ARG A 88 4.834 8.341 -9.493 1.00 52.14 N ATOM 1419 NH2 ARG A 88 3.840 9.969 -8.357 1.00 54.35 N ATOM 0 H ARG A 88 8.338 5.717 -4.361 1.00 14.45 H new ATOM 0 HA ARG A 88 10.864 6.795 -5.447 1.00 31.31 H new ATOM 0 HB2 ARG A 88 9.733 8.233 -7.005 1.00 4.12 H new ATOM 0 HB3 ARG A 88 9.113 6.619 -7.292 1.00 4.12 H new ATOM 0 HG2 ARG A 88 7.038 7.190 -6.006 1.00 44.54 H new ATOM 0 HG3 ARG A 88 7.658 8.805 -5.725 1.00 44.54 H new ATOM 0 HD2 ARG A 88 7.823 9.048 -8.294 1.00 1.01 H new ATOM 0 HD3 ARG A 88 6.908 7.557 -8.405 1.00 1.01 H new ATOM 0 HE ARG A 88 5.725 9.783 -6.815 1.00 1.33 H new ATOM 0 HH11 ARG A 88 5.611 7.693 -9.619 1.00 52.14 H new ATOM 0 HH12 ARG A 88 4.054 8.336 -10.150 1.00 52.14 H new ATOM 0 HH21 ARG A 88 3.820 10.624 -7.575 1.00 54.35 H new ATOM 0 HH22 ARG A 88 3.070 9.949 -9.025 1.00 54.35 H new ATOM 1433 N ALA A 89 10.247 9.198 -4.425 1.00 72.35 N ATOM 1434 CA ALA A 89 10.227 10.349 -3.509 1.00 45.21 C ATOM 1435 C ALA A 89 9.353 11.480 -4.106 1.00 13.32 C ATOM 1436 O ALA A 89 9.676 11.981 -5.191 1.00 42.43 O ATOM 1437 CB ALA A 89 11.665 10.843 -3.266 1.00 3.34 C ATOM 0 H ALA A 89 10.739 9.386 -5.298 1.00 72.35 H new ATOM 0 HA ALA A 89 9.797 10.047 -2.554 1.00 45.21 H new ATOM 0 HB1 ALA A 89 11.647 11.696 -2.587 1.00 3.34 H new ATOM 0 HB2 ALA A 89 12.256 10.040 -2.825 1.00 3.34 H new ATOM 0 HB3 ALA A 89 12.112 11.143 -4.214 1.00 3.34 H new ATOM 1443 N PRO A 90 8.231 11.902 -3.428 1.00 44.05 N ATOM 1444 CA PRO A 90 7.362 12.990 -3.931 1.00 71.15 C ATOM 1445 C PRO A 90 8.026 14.376 -3.730 1.00 12.03 C ATOM 1446 O PRO A 90 7.779 15.081 -2.742 1.00 40.54 O ATOM 1447 CB PRO A 90 6.056 12.817 -3.112 1.00 4.42 C ATOM 1448 CG PRO A 90 6.513 12.229 -1.807 1.00 0.22 C ATOM 1449 CD PRO A 90 7.746 11.380 -2.122 1.00 31.52 C ATOM 0 HA PRO A 90 7.175 12.939 -5.004 1.00 71.15 H new ATOM 0 HB2 PRO A 90 5.550 13.771 -2.963 1.00 4.42 H new ATOM 0 HB3 PRO A 90 5.352 12.159 -3.620 1.00 4.42 H new ATOM 0 HG2 PRO A 90 6.755 13.014 -1.091 1.00 0.22 H new ATOM 0 HG3 PRO A 90 5.727 11.621 -1.359 1.00 0.22 H new ATOM 0 HD2 PRO A 90 8.506 11.480 -1.347 1.00 31.52 H new ATOM 0 HD3 PRO A 90 7.494 10.322 -2.186 1.00 31.52 H new ATOM 1457 N TYR A 91 8.929 14.720 -4.662 1.00 54.24 N ATOM 1458 CA TYR A 91 9.653 16.009 -4.651 1.00 61.32 C ATOM 1459 C TYR A 91 8.715 17.175 -5.036 1.00 40.42 C ATOM 1460 O TYR A 91 9.004 18.340 -4.748 1.00 63.44 O ATOM 1461 CB TYR A 91 10.889 15.956 -5.597 1.00 33.02 C ATOM 1462 CG TYR A 91 10.557 15.814 -7.098 1.00 14.31 C ATOM 1463 CD1 TYR A 91 10.317 14.563 -7.673 1.00 74.34 C ATOM 1464 CD2 TYR A 91 10.471 16.937 -7.933 1.00 4.30 C ATOM 1465 CE1 TYR A 91 10.010 14.438 -9.015 1.00 4.31 C ATOM 1466 CE2 TYR A 91 10.160 16.817 -9.271 1.00 74.43 C ATOM 1467 CZ TYR A 91 9.931 15.567 -9.810 1.00 14.11 C ATOM 1468 OH TYR A 91 9.609 15.446 -11.145 1.00 34.04 O ATOM 0 H TYR A 91 9.180 14.116 -5.445 1.00 54.24 H new ATOM 0 HA TYR A 91 10.009 16.187 -3.636 1.00 61.32 H new ATOM 0 HB2 TYR A 91 11.476 16.863 -5.454 1.00 33.02 H new ATOM 0 HB3 TYR A 91 11.520 15.118 -5.299 1.00 33.02 H new ATOM 0 HD1 TYR A 91 10.372 13.677 -7.057 1.00 74.34 H new ATOM 0 HD2 TYR A 91 10.652 17.918 -7.519 1.00 4.30 H new ATOM 0 HE1 TYR A 91 9.832 13.462 -9.441 1.00 4.31 H new ATOM 0 HE2 TYR A 91 10.096 17.697 -9.894 1.00 74.43 H new ATOM 0 HH TYR A 91 9.595 16.334 -11.560 1.00 34.04 H new ATOM 1478 N ASP A 92 7.603 16.839 -5.714 1.00 43.42 N ATOM 1479 CA ASP A 92 6.584 17.811 -6.123 1.00 70.12 C ATOM 1480 C ASP A 92 5.721 18.185 -4.900 1.00 63.44 C ATOM 1481 O ASP A 92 5.058 17.320 -4.320 1.00 73.35 O ATOM 1482 CB ASP A 92 5.676 17.207 -7.237 1.00 1.13 C ATOM 1483 CG ASP A 92 6.453 16.441 -8.312 1.00 75.23 C ATOM 1484 OD1 ASP A 92 6.792 15.253 -8.076 1.00 2.45 O ATOM 1485 OD2 ASP A 92 6.740 17.015 -9.381 1.00 44.40 O ATOM 0 H ASP A 92 7.389 15.881 -5.993 1.00 43.42 H new ATOM 0 HA ASP A 92 7.076 18.701 -6.516 1.00 70.12 H new ATOM 0 HB2 ASP A 92 4.949 16.536 -6.778 1.00 1.13 H new ATOM 0 HB3 ASP A 92 5.113 18.011 -7.711 1.00 1.13 H new ATOM 1490 N GLN A 93 5.766 19.453 -4.476 1.00 3.23 N ATOM 1491 CA GLN A 93 4.832 19.969 -3.444 1.00 62.30 C ATOM 1492 C GLN A 93 3.376 20.009 -3.955 1.00 34.13 C ATOM 1493 O GLN A 93 2.441 19.976 -3.160 1.00 72.52 O ATOM 1494 CB GLN A 93 5.286 21.342 -2.899 1.00 22.23 C ATOM 1495 CG GLN A 93 6.502 21.250 -1.947 1.00 61.11 C ATOM 1496 CD GLN A 93 6.784 22.537 -1.168 1.00 32.04 C ATOM 1497 OE1 GLN A 93 6.580 23.641 -1.660 1.00 43.21 O ATOM 1498 NE2 GLN A 93 7.235 22.402 0.064 1.00 61.31 N ATOM 0 H GLN A 93 6.431 20.144 -4.823 1.00 3.23 H new ATOM 0 HA GLN A 93 4.857 19.267 -2.610 1.00 62.30 H new ATOM 0 HB2 GLN A 93 5.537 21.993 -3.737 1.00 22.23 H new ATOM 0 HB3 GLN A 93 4.454 21.809 -2.371 1.00 22.23 H new ATOM 0 HG2 GLN A 93 6.335 20.438 -1.239 1.00 61.11 H new ATOM 0 HG3 GLN A 93 7.386 20.989 -2.528 1.00 61.11 H new ATOM 0 HE21 GLN A 93 7.396 21.471 0.449 1.00 61.31 H new ATOM 0 HE22 GLN A 93 7.423 23.228 0.632 1.00 61.31 H new ATOM 1507 N ALA A 94 3.204 20.095 -5.286 1.00 11.35 N ATOM 1508 CA ALA A 94 1.893 19.919 -5.952 1.00 34.12 C ATOM 1509 C ALA A 94 1.331 18.500 -5.702 1.00 33.44 C ATOM 1510 O ALA A 94 0.126 18.323 -5.565 1.00 54.41 O ATOM 1511 CB ALA A 94 2.032 20.181 -7.460 1.00 54.35 C ATOM 0 H ALA A 94 3.968 20.288 -5.934 1.00 11.35 H new ATOM 0 HA ALA A 94 1.192 20.638 -5.529 1.00 34.12 H new ATOM 0 HB1 ALA A 94 1.064 20.050 -7.943 1.00 54.35 H new ATOM 0 HB2 ALA A 94 2.383 21.200 -7.621 1.00 54.35 H new ATOM 0 HB3 ALA A 94 2.748 19.479 -7.887 1.00 54.35 H new ATOM 1517 N GLU A 95 2.234 17.506 -5.641 1.00 42.34 N ATOM 1518 CA GLU A 95 1.883 16.095 -5.354 1.00 61.45 C ATOM 1519 C GLU A 95 1.505 15.908 -3.863 1.00 72.44 C ATOM 1520 O GLU A 95 0.433 15.389 -3.547 1.00 34.15 O ATOM 1521 CB GLU A 95 3.097 15.192 -5.695 1.00 35.12 C ATOM 1522 CG GLU A 95 2.884 13.684 -5.501 1.00 41.01 C ATOM 1523 CD GLU A 95 2.118 13.017 -6.654 1.00 35.43 C ATOM 1524 OE1 GLU A 95 2.767 12.631 -7.648 1.00 51.23 O ATOM 1525 OE2 GLU A 95 0.881 12.864 -6.568 1.00 64.43 O ATOM 0 H GLU A 95 3.232 17.654 -5.789 1.00 42.34 H new ATOM 0 HA GLU A 95 1.022 15.819 -5.963 1.00 61.45 H new ATOM 0 HB2 GLU A 95 3.377 15.369 -6.733 1.00 35.12 H new ATOM 0 HB3 GLU A 95 3.941 15.503 -5.079 1.00 35.12 H new ATOM 0 HG2 GLU A 95 3.854 13.200 -5.393 1.00 41.01 H new ATOM 0 HG3 GLU A 95 2.340 13.519 -4.571 1.00 41.01 H new ATOM 1532 N VAL A 96 2.395 16.377 -2.962 1.00 31.22 N ATOM 1533 CA VAL A 96 2.247 16.193 -1.494 1.00 71.31 C ATOM 1534 C VAL A 96 0.988 16.921 -0.964 1.00 24.14 C ATOM 1535 O VAL A 96 0.147 16.320 -0.290 1.00 31.32 O ATOM 1536 CB VAL A 96 3.530 16.697 -0.725 1.00 63.42 C ATOM 1537 CG1 VAL A 96 3.374 16.530 0.813 1.00 34.41 C ATOM 1538 CG2 VAL A 96 4.808 15.980 -1.238 1.00 45.35 C ATOM 0 H VAL A 96 3.235 16.892 -3.226 1.00 31.22 H new ATOM 0 HA VAL A 96 2.131 15.125 -1.310 1.00 71.31 H new ATOM 0 HB VAL A 96 3.638 17.762 -0.931 1.00 63.42 H new ATOM 0 HG11 VAL A 96 4.276 16.887 1.311 1.00 34.41 H new ATOM 0 HG12 VAL A 96 2.516 17.108 1.157 1.00 34.41 H new ATOM 0 HG13 VAL A 96 3.221 15.477 1.051 1.00 34.41 H new ATOM 0 HG21 VAL A 96 5.676 16.347 -0.690 1.00 45.35 H new ATOM 0 HG22 VAL A 96 4.709 14.906 -1.083 1.00 45.35 H new ATOM 0 HG23 VAL A 96 4.937 16.183 -2.301 1.00 45.35 H new ATOM 1548 N ALA A 97 0.871 18.216 -1.309 1.00 30.03 N ATOM 1549 CA ALA A 97 -0.272 19.072 -0.914 1.00 22.12 C ATOM 1550 C ALA A 97 -1.622 18.574 -1.503 1.00 65.13 C ATOM 1551 O ALA A 97 -2.669 18.741 -0.873 1.00 34.34 O ATOM 1552 CB ALA A 97 0.002 20.535 -1.309 1.00 40.22 C ATOM 0 H ALA A 97 1.568 18.704 -1.872 1.00 30.03 H new ATOM 0 HA ALA A 97 -0.369 19.010 0.170 1.00 22.12 H new ATOM 0 HB1 ALA A 97 -0.844 21.156 -1.014 1.00 40.22 H new ATOM 0 HB2 ALA A 97 0.902 20.886 -0.805 1.00 40.22 H new ATOM 0 HB3 ALA A 97 0.142 20.600 -2.388 1.00 40.22 H new ATOM 1558 N ALA A 98 -1.581 17.949 -2.706 1.00 52.44 N ATOM 1559 CA ALA A 98 -2.782 17.335 -3.337 1.00 4.50 C ATOM 1560 C ALA A 98 -3.245 16.080 -2.565 1.00 51.23 C ATOM 1561 O ALA A 98 -4.438 15.874 -2.372 1.00 73.41 O ATOM 1562 CB ALA A 98 -2.518 16.968 -4.805 1.00 11.21 C ATOM 0 H ALA A 98 -0.730 17.856 -3.261 1.00 52.44 H new ATOM 0 HA ALA A 98 -3.575 18.082 -3.299 1.00 4.50 H new ATOM 0 HB1 ALA A 98 -3.415 16.522 -5.236 1.00 11.21 H new ATOM 0 HB2 ALA A 98 -2.256 17.867 -5.363 1.00 11.21 H new ATOM 0 HB3 ALA A 98 -1.696 16.254 -4.859 1.00 11.21 H new ATOM 1568 N HIS A 99 -2.277 15.242 -2.135 1.00 62.52 N ATOM 1569 CA HIS A 99 -2.558 14.023 -1.336 1.00 11.40 C ATOM 1570 C HIS A 99 -2.995 14.366 0.108 1.00 31.34 C ATOM 1571 O HIS A 99 -3.747 13.612 0.721 1.00 42.22 O ATOM 1572 CB HIS A 99 -1.330 13.073 -1.345 1.00 34.03 C ATOM 1573 CG HIS A 99 -1.213 12.254 -2.610 1.00 32.01 C ATOM 1574 ND1 HIS A 99 -1.495 10.904 -2.661 1.00 34.40 N ATOM 1575 CD2 HIS A 99 -0.859 12.599 -3.866 1.00 72.41 C ATOM 1576 CE1 HIS A 99 -1.318 10.463 -3.887 1.00 4.01 C ATOM 1577 NE2 HIS A 99 -0.930 11.469 -4.641 1.00 65.21 N ATOM 0 H HIS A 99 -1.286 15.387 -2.328 1.00 62.52 H new ATOM 0 HA HIS A 99 -3.396 13.505 -1.803 1.00 11.40 H new ATOM 0 HB2 HIS A 99 -0.423 13.663 -1.218 1.00 34.03 H new ATOM 0 HB3 HIS A 99 -1.395 12.400 -0.490 1.00 34.03 H new ATOM 0 HD1 HIS A 99 -1.795 10.335 -1.869 1.00 34.40 H new ATOM 0 HD2 HIS A 99 -0.572 13.585 -4.200 1.00 72.41 H new ATOM 0 HE1 HIS A 99 -1.466 9.446 -4.219 1.00 4.01 H new ATOM 1586 N ALA A 100 -2.499 15.497 0.644 1.00 44.32 N ATOM 1587 CA ALA A 100 -2.974 16.058 1.930 1.00 21.42 C ATOM 1588 C ALA A 100 -4.433 16.574 1.818 1.00 0.22 C ATOM 1589 O ALA A 100 -5.250 16.352 2.721 1.00 2.12 O ATOM 1590 CB ALA A 100 -2.026 17.173 2.401 1.00 54.53 C ATOM 0 H ALA A 100 -1.762 16.047 0.203 1.00 44.32 H new ATOM 0 HA ALA A 100 -2.970 15.261 2.674 1.00 21.42 H new ATOM 0 HB1 ALA A 100 -2.384 17.579 3.347 1.00 54.53 H new ATOM 0 HB2 ALA A 100 -1.024 16.766 2.537 1.00 54.53 H new ATOM 0 HB3 ALA A 100 -1.997 17.966 1.654 1.00 54.53 H new ATOM 1596 N ALA A 101 -4.745 17.246 0.690 1.00 61.14 N ATOM 1597 CA ALA A 101 -6.118 17.711 0.372 1.00 65.05 C ATOM 1598 C ALA A 101 -7.087 16.515 0.188 1.00 33.50 C ATOM 1599 O ALA A 101 -8.248 16.572 0.604 1.00 42.04 O ATOM 1600 CB ALA A 101 -6.104 18.594 -0.890 1.00 51.44 C ATOM 0 H ALA A 101 -4.058 17.482 -0.025 1.00 61.14 H new ATOM 0 HA ALA A 101 -6.477 18.305 1.212 1.00 65.05 H new ATOM 0 HB1 ALA A 101 -7.118 18.928 -1.112 1.00 51.44 H new ATOM 0 HB2 ALA A 101 -5.465 19.461 -0.721 1.00 51.44 H new ATOM 0 HB3 ALA A 101 -5.719 18.019 -1.732 1.00 51.44 H new ATOM 1606 N THR A 102 -6.570 15.430 -0.426 1.00 13.04 N ATOM 1607 CA THR A 102 -7.308 14.156 -0.606 1.00 42.13 C ATOM 1608 C THR A 102 -7.578 13.483 0.759 1.00 41.03 C ATOM 1609 O THR A 102 -8.692 13.021 1.021 1.00 11.30 O ATOM 1610 CB THR A 102 -6.525 13.162 -1.538 1.00 41.55 C ATOM 1611 OG1 THR A 102 -6.293 13.780 -2.814 1.00 44.31 O ATOM 1612 CG2 THR A 102 -7.272 11.833 -1.761 1.00 14.14 C ATOM 0 H THR A 102 -5.626 15.410 -0.813 1.00 13.04 H new ATOM 0 HA THR A 102 -8.258 14.398 -1.082 1.00 42.13 H new ATOM 0 HB THR A 102 -5.585 12.933 -1.035 1.00 41.55 H new ATOM 0 HG1 THR A 102 -5.642 14.506 -2.712 1.00 44.31 H new ATOM 0 HG21 THR A 102 -6.682 11.189 -2.412 1.00 14.14 H new ATOM 0 HG22 THR A 102 -7.426 11.337 -0.803 1.00 14.14 H new ATOM 0 HG23 THR A 102 -8.238 12.032 -2.226 1.00 14.14 H new ATOM 1620 N TYR A 103 -6.537 13.448 1.615 1.00 32.34 N ATOM 1621 CA TYR A 103 -6.612 12.918 2.994 1.00 33.42 C ATOM 1622 C TYR A 103 -7.744 13.586 3.820 1.00 42.11 C ATOM 1623 O TYR A 103 -8.558 12.896 4.429 1.00 32.02 O ATOM 1624 CB TYR A 103 -5.237 13.121 3.696 1.00 33.11 C ATOM 1625 CG TYR A 103 -5.153 12.566 5.130 1.00 1.31 C ATOM 1626 CD1 TYR A 103 -4.899 11.213 5.358 1.00 34.40 C ATOM 1627 CD2 TYR A 103 -5.339 13.386 6.255 1.00 44.41 C ATOM 1628 CE1 TYR A 103 -4.838 10.699 6.639 1.00 31.33 C ATOM 1629 CE2 TYR A 103 -5.274 12.869 7.537 1.00 53.42 C ATOM 1630 CZ TYR A 103 -5.023 11.524 7.719 1.00 74.10 C ATOM 1631 OH TYR A 103 -4.976 10.994 8.990 1.00 11.31 O ATOM 0 H TYR A 103 -5.609 13.791 1.366 1.00 32.34 H new ATOM 0 HA TYR A 103 -6.848 11.856 2.935 1.00 33.42 H new ATOM 0 HB2 TYR A 103 -4.464 12.646 3.092 1.00 33.11 H new ATOM 0 HB3 TYR A 103 -5.012 14.187 3.721 1.00 33.11 H new ATOM 0 HD1 TYR A 103 -4.747 10.554 4.516 1.00 34.40 H new ATOM 0 HD2 TYR A 103 -5.536 14.439 6.117 1.00 44.41 H new ATOM 0 HE1 TYR A 103 -4.645 9.647 6.790 1.00 31.33 H new ATOM 0 HE2 TYR A 103 -5.419 13.515 8.391 1.00 53.42 H new ATOM 0 HH TYR A 103 -4.378 11.534 9.548 1.00 11.31 H new ATOM 1641 N HIS A 104 -7.786 14.931 3.829 1.00 2.15 N ATOM 1642 CA HIS A 104 -8.767 15.689 4.649 1.00 33.41 C ATOM 1643 C HIS A 104 -10.197 15.663 4.042 1.00 4.10 C ATOM 1644 O HIS A 104 -11.168 15.364 4.748 1.00 62.32 O ATOM 1645 CB HIS A 104 -8.295 17.157 4.835 1.00 23.45 C ATOM 1646 CG HIS A 104 -7.095 17.317 5.732 1.00 1.44 C ATOM 1647 ND1 HIS A 104 -7.164 17.139 7.094 1.00 51.50 N ATOM 1648 CD2 HIS A 104 -5.806 17.657 5.474 1.00 32.23 C ATOM 1649 CE1 HIS A 104 -5.987 17.363 7.632 1.00 61.34 C ATOM 1650 NE2 HIS A 104 -5.144 17.678 6.675 1.00 70.30 N ATOM 0 H HIS A 104 -7.157 15.519 3.282 1.00 2.15 H new ATOM 0 HA HIS A 104 -8.818 15.195 5.619 1.00 33.41 H new ATOM 0 HB2 HIS A 104 -8.061 17.577 3.857 1.00 23.45 H new ATOM 0 HB3 HIS A 104 -9.119 17.742 5.244 1.00 23.45 H new ATOM 0 HD2 HIS A 104 -5.381 17.871 4.504 1.00 32.23 H new ATOM 0 HE1 HIS A 104 -5.752 17.299 8.684 1.00 61.34 H new ATOM 0 HE2 HIS A 104 -4.157 17.902 6.804 1.00 70.30 H new ATOM 1659 N SER A 105 -10.312 15.945 2.731 1.00 1.51 N ATOM 1660 CA SER A 105 -11.634 16.148 2.070 1.00 13.31 C ATOM 1661 C SER A 105 -12.307 14.823 1.635 1.00 64.21 C ATOM 1662 O SER A 105 -13.528 14.667 1.760 1.00 22.03 O ATOM 1663 CB SER A 105 -11.463 17.066 0.839 1.00 41.13 C ATOM 1664 OG SER A 105 -12.685 17.253 0.140 1.00 44.11 O ATOM 0 H SER A 105 -9.514 16.039 2.102 1.00 1.51 H new ATOM 0 HA SER A 105 -12.288 16.611 2.809 1.00 13.31 H new ATOM 0 HB2 SER A 105 -11.077 18.034 1.159 1.00 41.13 H new ATOM 0 HB3 SER A 105 -10.723 16.635 0.165 1.00 41.13 H new ATOM 0 HG SER A 105 -12.535 17.840 -0.630 1.00 44.11 H new ATOM 1670 N HIS A 106 -11.505 13.863 1.141 1.00 13.34 N ATOM 1671 CA HIS A 106 -12.019 12.563 0.620 1.00 12.10 C ATOM 1672 C HIS A 106 -11.716 11.375 1.573 1.00 21.42 C ATOM 1673 O HIS A 106 -12.277 10.289 1.407 1.00 2.21 O ATOM 1674 CB HIS A 106 -11.415 12.299 -0.782 1.00 12.43 C ATOM 1675 CG HIS A 106 -11.720 13.369 -1.796 1.00 20.24 C ATOM 1676 ND1 HIS A 106 -12.902 13.423 -2.500 1.00 40.22 N ATOM 1677 CD2 HIS A 106 -10.996 14.435 -2.214 1.00 12.25 C ATOM 1678 CE1 HIS A 106 -12.894 14.470 -3.294 1.00 72.13 C ATOM 1679 NE2 HIS A 106 -11.752 15.102 -3.145 1.00 52.04 N ATOM 0 H HIS A 106 -10.491 13.955 1.087 1.00 13.34 H new ATOM 0 HA HIS A 106 -13.104 12.638 0.552 1.00 12.10 H new ATOM 0 HB2 HIS A 106 -10.334 12.202 -0.687 1.00 12.43 H new ATOM 0 HB3 HIS A 106 -11.790 11.345 -1.153 1.00 12.43 H new ATOM 0 HD2 HIS A 106 -10.007 14.709 -1.877 1.00 12.25 H new ATOM 0 HE1 HIS A 106 -13.693 14.762 -3.959 1.00 72.13 H new ATOM 0 HE2 HIS A 106 -11.473 15.949 -3.640 1.00 52.04 H new ATOM 1688 N GLY A 107 -10.817 11.591 2.547 1.00 13.33 N ATOM 1689 CA GLY A 107 -10.450 10.553 3.532 1.00 45.03 C ATOM 1690 C GLY A 107 -9.144 9.827 3.186 1.00 13.53 C ATOM 1691 O GLY A 107 -8.677 9.879 2.037 1.00 23.32 O ATOM 0 H GLY A 107 -10.328 12.477 2.676 1.00 13.33 H new ATOM 0 HA2 GLY A 107 -10.353 11.013 4.516 1.00 45.03 H new ATOM 0 HA3 GLY A 107 -11.257 9.823 3.599 1.00 45.03 H new ATOM 1695 N TYR A 108 -8.557 9.144 4.192 1.00 11.52 N ATOM 1696 CA TYR A 108 -7.297 8.373 4.032 1.00 72.12 C ATOM 1697 C TYR A 108 -7.469 7.195 3.042 1.00 3.02 C ATOM 1698 O TYR A 108 -6.526 6.829 2.325 1.00 34.53 O ATOM 1699 CB TYR A 108 -6.805 7.842 5.404 1.00 3.34 C ATOM 1700 CG TYR A 108 -5.463 7.081 5.341 1.00 75.05 C ATOM 1701 CD1 TYR A 108 -4.330 7.685 4.785 1.00 30.35 C ATOM 1702 CD2 TYR A 108 -5.334 5.772 5.815 1.00 44.15 C ATOM 1703 CE1 TYR A 108 -3.132 7.019 4.707 1.00 31.43 C ATOM 1704 CE2 TYR A 108 -4.127 5.102 5.736 1.00 11.10 C ATOM 1705 CZ TYR A 108 -3.031 5.733 5.184 1.00 60.11 C ATOM 1706 OH TYR A 108 -1.824 5.078 5.104 1.00 20.24 O ATOM 0 H TYR A 108 -8.939 9.109 5.137 1.00 11.52 H new ATOM 0 HA TYR A 108 -6.550 9.053 3.622 1.00 72.12 H new ATOM 0 HB2 TYR A 108 -6.702 8.682 6.091 1.00 3.34 H new ATOM 0 HB3 TYR A 108 -7.566 7.181 5.820 1.00 3.34 H new ATOM 0 HD1 TYR A 108 -4.399 8.695 4.410 1.00 30.35 H new ATOM 0 HD2 TYR A 108 -6.190 5.277 6.249 1.00 44.15 H new ATOM 0 HE1 TYR A 108 -2.271 7.504 4.272 1.00 31.43 H new ATOM 0 HE2 TYR A 108 -4.043 4.090 6.104 1.00 11.10 H new ATOM 0 HH TYR A 108 -1.966 4.115 5.215 1.00 20.24 H new ATOM 1716 N ASP A 109 -8.684 6.612 3.019 1.00 35.12 N ATOM 1717 CA ASP A 109 -9.038 5.524 2.086 1.00 43.12 C ATOM 1718 C ASP A 109 -8.862 5.980 0.620 1.00 32.41 C ATOM 1719 O ASP A 109 -8.243 5.283 -0.172 1.00 3.51 O ATOM 1720 CB ASP A 109 -10.471 4.998 2.372 1.00 23.32 C ATOM 1721 CG ASP A 109 -11.540 6.100 2.301 1.00 40.11 C ATOM 1722 OD1 ASP A 109 -11.667 6.885 3.267 1.00 71.10 O ATOM 1723 OD2 ASP A 109 -12.248 6.196 1.278 1.00 75.01 O ATOM 0 H ASP A 109 -9.444 6.881 3.644 1.00 35.12 H new ATOM 0 HA ASP A 109 -8.354 4.690 2.245 1.00 43.12 H new ATOM 0 HB2 ASP A 109 -10.715 4.216 1.653 1.00 23.32 H new ATOM 0 HB3 ASP A 109 -10.494 4.541 3.361 1.00 23.32 H new ATOM 1728 N ALA A 110 -9.344 7.193 0.305 1.00 50.42 N ATOM 1729 CA ALA A 110 -9.237 7.781 -1.049 1.00 41.14 C ATOM 1730 C ALA A 110 -7.770 8.075 -1.460 1.00 43.51 C ATOM 1731 O ALA A 110 -7.435 7.998 -2.646 1.00 13.22 O ATOM 1732 CB ALA A 110 -10.070 9.055 -1.124 1.00 52.44 C ATOM 0 H ALA A 110 -9.819 7.796 0.977 1.00 50.42 H new ATOM 0 HA ALA A 110 -9.620 7.044 -1.754 1.00 41.14 H new ATOM 0 HB1 ALA A 110 -9.988 9.485 -2.122 1.00 52.44 H new ATOM 0 HB2 ALA A 110 -11.114 8.820 -0.914 1.00 52.44 H new ATOM 0 HB3 ALA A 110 -9.705 9.772 -0.389 1.00 52.44 H new ATOM 1738 N ASP A 111 -6.918 8.430 -0.474 1.00 63.43 N ATOM 1739 CA ASP A 111 -5.468 8.680 -0.689 1.00 24.52 C ATOM 1740 C ASP A 111 -4.749 7.405 -1.204 1.00 34.24 C ATOM 1741 O ASP A 111 -4.032 7.438 -2.215 1.00 15.13 O ATOM 1742 CB ASP A 111 -4.821 9.183 0.633 1.00 73.53 C ATOM 1743 CG ASP A 111 -3.314 9.473 0.500 1.00 14.40 C ATOM 1744 OD1 ASP A 111 -2.963 10.508 -0.101 1.00 1.11 O ATOM 1745 OD2 ASP A 111 -2.481 8.647 0.950 1.00 45.42 O ATOM 0 H ASP A 111 -7.212 8.552 0.495 1.00 63.43 H new ATOM 0 HA ASP A 111 -5.357 9.449 -1.454 1.00 24.52 H new ATOM 0 HB2 ASP A 111 -5.331 10.090 0.958 1.00 73.53 H new ATOM 0 HB3 ASP A 111 -4.973 8.436 1.412 1.00 73.53 H new ATOM 1750 N ILE A 112 -4.970 6.288 -0.494 1.00 65.15 N ATOM 1751 CA ILE A 112 -4.392 4.971 -0.852 1.00 74.01 C ATOM 1752 C ILE A 112 -5.023 4.407 -2.151 1.00 13.42 C ATOM 1753 O ILE A 112 -4.314 3.883 -3.016 1.00 24.13 O ATOM 1754 CB ILE A 112 -4.557 3.947 0.335 1.00 55.11 C ATOM 1755 CG1 ILE A 112 -3.875 4.499 1.637 1.00 73.02 C ATOM 1756 CG2 ILE A 112 -4.011 2.536 -0.032 1.00 24.34 C ATOM 1757 CD1 ILE A 112 -2.384 4.771 1.522 1.00 74.23 C ATOM 0 H ILE A 112 -5.552 6.266 0.343 1.00 65.15 H new ATOM 0 HA ILE A 112 -3.328 5.118 -1.037 1.00 74.01 H new ATOM 0 HB ILE A 112 -5.624 3.833 0.526 1.00 55.11 H new ATOM 0 HG12 ILE A 112 -4.375 5.423 1.926 1.00 73.02 H new ATOM 0 HG13 ILE A 112 -4.036 3.784 2.443 1.00 73.02 H new ATOM 0 HG21 ILE A 112 -4.145 1.863 0.815 1.00 24.34 H new ATOM 0 HG22 ILE A 112 -4.555 2.148 -0.894 1.00 24.34 H new ATOM 0 HG23 ILE A 112 -2.951 2.608 -0.274 1.00 24.34 H new ATOM 0 HD11 ILE A 112 -2.009 5.149 2.473 1.00 74.23 H new ATOM 0 HD12 ILE A 112 -1.864 3.847 1.268 1.00 74.23 H new ATOM 0 HD13 ILE A 112 -2.208 5.512 0.742 1.00 74.23 H new ATOM 1769 N ASN A 113 -6.356 4.562 -2.288 1.00 13.32 N ATOM 1770 CA ASN A 113 -7.115 4.093 -3.478 1.00 74.40 C ATOM 1771 C ASN A 113 -6.688 4.846 -4.755 1.00 61.43 C ATOM 1772 O ASN A 113 -6.765 4.290 -5.849 1.00 51.10 O ATOM 1773 CB ASN A 113 -8.649 4.214 -3.255 1.00 14.12 C ATOM 1774 CG ASN A 113 -9.232 3.183 -2.267 1.00 3.32 C ATOM 1775 OD1 ASN A 113 -8.482 2.790 -1.248 1.00 43.33 O flip ATOM 1776 ND2 ASN A 113 -10.370 2.754 -2.413 1.00 13.30 N flip ATOM 0 H ASN A 113 -6.939 5.013 -1.583 1.00 13.32 H new ATOM 0 HA ASN A 113 -6.876 3.039 -3.617 1.00 74.40 H new ATOM 0 HB2 ASN A 113 -8.873 5.216 -2.890 1.00 14.12 H new ATOM 0 HB3 ASN A 113 -9.153 4.105 -4.215 1.00 14.12 H new ATOM 0 HD21 ASN A 113 -10.935 3.066 -3.203 1.00 13.30 H new ATOM 0 HD22 ASN A 113 -10.752 2.085 -1.745 1.00 13.30 H new ATOM 1783 N SER A 114 -6.252 6.116 -4.590 1.00 55.44 N ATOM 1784 CA SER A 114 -5.672 6.931 -5.689 1.00 64.35 C ATOM 1785 C SER A 114 -4.454 6.225 -6.327 1.00 74.24 C ATOM 1786 O SER A 114 -4.337 6.165 -7.552 1.00 23.33 O ATOM 1787 CB SER A 114 -5.258 8.338 -5.185 1.00 21.45 C ATOM 1788 OG SER A 114 -4.655 9.113 -6.214 1.00 33.00 O ATOM 0 H SER A 114 -6.291 6.606 -3.696 1.00 55.44 H new ATOM 0 HA SER A 114 -6.446 7.045 -6.448 1.00 64.35 H new ATOM 0 HB2 SER A 114 -6.136 8.860 -4.804 1.00 21.45 H new ATOM 0 HB3 SER A 114 -4.562 8.235 -4.352 1.00 21.45 H new ATOM 0 HG SER A 114 -4.409 9.993 -5.859 1.00 33.00 H new ATOM 1794 N TYR A 115 -3.571 5.656 -5.472 1.00 64.13 N ATOM 1795 CA TYR A 115 -2.381 4.904 -5.922 1.00 32.11 C ATOM 1796 C TYR A 115 -2.807 3.534 -6.530 1.00 51.33 C ATOM 1797 O TYR A 115 -2.267 3.111 -7.554 1.00 74.41 O ATOM 1798 CB TYR A 115 -1.374 4.741 -4.716 1.00 14.13 C ATOM 1799 CG TYR A 115 -0.775 3.332 -4.535 1.00 34.44 C ATOM 1800 CD1 TYR A 115 0.240 2.862 -5.369 1.00 71.44 C ATOM 1801 CD2 TYR A 115 -1.253 2.464 -3.547 1.00 13.32 C ATOM 1802 CE1 TYR A 115 0.744 1.590 -5.225 1.00 13.34 C ATOM 1803 CE2 TYR A 115 -0.738 1.196 -3.402 1.00 64.54 C ATOM 1804 CZ TYR A 115 0.254 0.763 -4.240 1.00 33.43 C ATOM 1805 OH TYR A 115 0.759 -0.506 -4.097 1.00 61.35 O ATOM 0 H TYR A 115 -3.665 5.706 -4.458 1.00 64.13 H new ATOM 0 HA TYR A 115 -1.868 5.455 -6.710 1.00 32.11 H new ATOM 0 HB2 TYR A 115 -0.557 5.449 -4.850 1.00 14.13 H new ATOM 0 HB3 TYR A 115 -1.889 5.019 -3.796 1.00 14.13 H new ATOM 0 HD1 TYR A 115 0.636 3.507 -6.140 1.00 71.44 H new ATOM 0 HD2 TYR A 115 -2.040 2.795 -2.886 1.00 13.32 H new ATOM 0 HE1 TYR A 115 1.524 1.240 -5.885 1.00 13.34 H new ATOM 0 HE2 TYR A 115 -1.116 0.544 -2.629 1.00 64.54 H new ATOM 0 HH TYR A 115 0.615 -1.011 -4.925 1.00 61.35 H new ATOM 1815 N ILE A 116 -3.802 2.883 -5.895 1.00 30.33 N ATOM 1816 CA ILE A 116 -4.317 1.548 -6.317 1.00 72.01 C ATOM 1817 C ILE A 116 -4.958 1.613 -7.729 1.00 25.12 C ATOM 1818 O ILE A 116 -4.907 0.649 -8.508 1.00 55.44 O ATOM 1819 CB ILE A 116 -5.358 1.005 -5.252 1.00 3.42 C ATOM 1820 CG1 ILE A 116 -4.668 0.772 -3.868 1.00 34.32 C ATOM 1821 CG2 ILE A 116 -6.073 -0.289 -5.721 1.00 41.14 C ATOM 1822 CD1 ILE A 116 -3.682 -0.389 -3.816 1.00 54.32 C ATOM 0 H ILE A 116 -4.276 3.261 -5.075 1.00 30.33 H new ATOM 0 HA ILE A 116 -3.475 0.858 -6.369 1.00 72.01 H new ATOM 0 HB ILE A 116 -6.123 1.774 -5.145 1.00 3.42 H new ATOM 0 HG12 ILE A 116 -4.144 1.685 -3.584 1.00 34.32 H new ATOM 0 HG13 ILE A 116 -5.442 0.603 -3.119 1.00 34.32 H new ATOM 0 HG21 ILE A 116 -6.774 -0.616 -4.953 1.00 41.14 H new ATOM 0 HG22 ILE A 116 -6.614 -0.091 -6.646 1.00 41.14 H new ATOM 0 HG23 ILE A 116 -5.334 -1.071 -5.894 1.00 41.14 H new ATOM 0 HD11 ILE A 116 -3.261 -0.464 -2.814 1.00 54.32 H new ATOM 0 HD12 ILE A 116 -4.199 -1.317 -4.062 1.00 54.32 H new ATOM 0 HD13 ILE A 116 -2.881 -0.218 -4.535 1.00 54.32 H new ATOM 1834 N ASP A 117 -5.528 2.782 -8.053 1.00 40.20 N ATOM 1835 CA ASP A 117 -6.226 3.027 -9.326 1.00 22.44 C ATOM 1836 C ASP A 117 -5.303 3.712 -10.379 1.00 20.20 C ATOM 1837 O ASP A 117 -5.727 3.944 -11.520 1.00 35.33 O ATOM 1838 CB ASP A 117 -7.505 3.865 -9.032 1.00 32.43 C ATOM 1839 CG ASP A 117 -8.505 3.881 -10.194 1.00 43.00 C ATOM 1840 OD1 ASP A 117 -9.121 2.824 -10.466 1.00 52.53 O ATOM 1841 OD2 ASP A 117 -8.664 4.928 -10.857 1.00 54.14 O ATOM 0 H ASP A 117 -5.518 3.593 -7.434 1.00 40.20 H new ATOM 0 HA ASP A 117 -6.514 2.074 -9.770 1.00 22.44 H new ATOM 0 HB2 ASP A 117 -7.997 3.465 -8.145 1.00 32.43 H new ATOM 0 HB3 ASP A 117 -7.213 4.889 -8.800 1.00 32.43 H new ATOM 1846 N SER A 118 -4.026 3.996 -10.022 1.00 54.45 N ATOM 1847 CA SER A 118 -3.061 4.642 -10.951 1.00 41.11 C ATOM 1848 C SER A 118 -2.613 3.662 -12.061 1.00 3.01 C ATOM 1849 O SER A 118 -2.269 2.505 -11.775 1.00 53.32 O ATOM 1850 CB SER A 118 -1.812 5.158 -10.188 1.00 52.32 C ATOM 1851 OG SER A 118 -2.137 6.192 -9.272 1.00 22.31 O ATOM 0 H SER A 118 -3.640 3.789 -9.101 1.00 54.45 H new ATOM 0 HA SER A 118 -3.573 5.488 -11.410 1.00 41.11 H new ATOM 0 HB2 SER A 118 -1.348 4.331 -9.651 1.00 52.32 H new ATOM 0 HB3 SER A 118 -1.077 5.526 -10.904 1.00 52.32 H new ATOM 0 HG SER A 118 -2.952 5.952 -8.784 1.00 22.31 H new ATOM 1857 N ALA A 119 -2.627 4.146 -13.321 1.00 10.22 N ATOM 1858 CA ALA A 119 -2.186 3.372 -14.509 1.00 33.34 C ATOM 1859 C ALA A 119 -0.707 2.929 -14.400 1.00 54.04 C ATOM 1860 O ALA A 119 -0.382 1.773 -14.674 1.00 14.42 O ATOM 1861 CB ALA A 119 -2.410 4.201 -15.786 1.00 30.43 C ATOM 0 H ALA A 119 -2.945 5.088 -13.548 1.00 10.22 H new ATOM 0 HA ALA A 119 -2.788 2.464 -14.557 1.00 33.34 H new ATOM 0 HB1 ALA A 119 -2.084 3.628 -16.654 1.00 30.43 H new ATOM 0 HB2 ALA A 119 -3.469 4.438 -15.885 1.00 30.43 H new ATOM 0 HB3 ALA A 119 -1.835 5.125 -15.725 1.00 30.43 H new ATOM 1867 N GLU A 120 0.168 3.864 -13.961 1.00 15.54 N ATOM 1868 CA GLU A 120 1.619 3.600 -13.760 1.00 74.33 C ATOM 1869 C GLU A 120 1.866 2.396 -12.806 1.00 42.01 C ATOM 1870 O GLU A 120 2.780 1.602 -13.016 1.00 61.01 O ATOM 1871 CB GLU A 120 2.337 4.861 -13.191 1.00 30.12 C ATOM 1872 CG GLU A 120 1.793 5.353 -11.821 1.00 34.42 C ATOM 1873 CD GLU A 120 2.717 6.369 -11.131 1.00 31.15 C ATOM 1874 OE1 GLU A 120 3.774 5.947 -10.620 1.00 30.30 O ATOM 1875 OE2 GLU A 120 2.395 7.579 -11.094 1.00 52.30 O ATOM 0 H GLU A 120 -0.107 4.820 -13.736 1.00 15.54 H new ATOM 0 HA GLU A 120 2.031 3.353 -14.738 1.00 74.33 H new ATOM 0 HB2 GLU A 120 3.400 4.642 -13.087 1.00 30.12 H new ATOM 0 HB3 GLU A 120 2.248 5.671 -13.915 1.00 30.12 H new ATOM 0 HG2 GLU A 120 0.812 5.805 -11.968 1.00 34.42 H new ATOM 0 HG3 GLU A 120 1.653 4.495 -11.164 1.00 34.42 H new ATOM 1882 N TYR A 121 1.021 2.281 -11.767 1.00 23.24 N ATOM 1883 CA TYR A 121 1.093 1.195 -10.779 1.00 50.43 C ATOM 1884 C TYR A 121 0.590 -0.145 -11.371 1.00 52.35 C ATOM 1885 O TYR A 121 1.295 -1.150 -11.313 1.00 42.12 O ATOM 1886 CB TYR A 121 0.274 1.584 -9.513 1.00 5.00 C ATOM 1887 CG TYR A 121 -0.013 0.420 -8.549 1.00 34.10 C ATOM 1888 CD1 TYR A 121 1.010 -0.421 -8.115 1.00 53.51 C ATOM 1889 CD2 TYR A 121 -1.304 0.149 -8.090 1.00 51.23 C ATOM 1890 CE1 TYR A 121 0.758 -1.475 -7.272 1.00 44.23 C ATOM 1891 CE2 TYR A 121 -1.551 -0.904 -7.239 1.00 3.32 C ATOM 1892 CZ TYR A 121 -0.515 -1.715 -6.835 1.00 73.33 C ATOM 1893 OH TYR A 121 -0.746 -2.762 -5.970 1.00 14.12 O ATOM 0 H TYR A 121 0.266 2.943 -11.590 1.00 23.24 H new ATOM 0 HA TYR A 121 2.137 1.052 -10.499 1.00 50.43 H new ATOM 0 HB2 TYR A 121 0.815 2.361 -8.972 1.00 5.00 H new ATOM 0 HB3 TYR A 121 -0.675 2.017 -9.830 1.00 5.00 H new ATOM 0 HD1 TYR A 121 2.021 -0.240 -8.448 1.00 53.51 H new ATOM 0 HD2 TYR A 121 -2.123 0.777 -8.409 1.00 51.23 H new ATOM 0 HE1 TYR A 121 1.567 -2.116 -6.953 1.00 44.23 H new ATOM 0 HE2 TYR A 121 -2.555 -1.093 -6.889 1.00 3.32 H new ATOM 0 HH TYR A 121 -1.271 -2.445 -5.205 1.00 14.12 H new ATOM 1903 N THR A 122 -0.624 -0.139 -11.936 1.00 4.50 N ATOM 1904 CA THR A 122 -1.293 -1.374 -12.430 1.00 52.02 C ATOM 1905 C THR A 122 -0.480 -2.057 -13.565 1.00 34.31 C ATOM 1906 O THR A 122 -0.395 -3.288 -13.639 1.00 31.52 O ATOM 1907 CB THR A 122 -2.744 -1.057 -12.926 1.00 74.23 C ATOM 1908 OG1 THR A 122 -3.484 -0.407 -11.870 1.00 42.33 O ATOM 1909 CG2 THR A 122 -3.511 -2.326 -13.375 1.00 2.31 C ATOM 0 H THR A 122 -1.176 0.709 -12.068 1.00 4.50 H new ATOM 0 HA THR A 122 -1.347 -2.068 -11.592 1.00 52.02 H new ATOM 0 HB THR A 122 -2.651 -0.403 -13.793 1.00 74.23 H new ATOM 0 HG1 THR A 122 -3.167 0.515 -11.768 1.00 42.33 H new ATOM 0 HG21 THR A 122 -4.511 -2.048 -13.709 1.00 2.31 H new ATOM 0 HG22 THR A 122 -2.975 -2.804 -14.195 1.00 2.31 H new ATOM 0 HG23 THR A 122 -3.588 -3.020 -12.538 1.00 2.31 H new ATOM 1917 N GLU A 123 0.111 -1.232 -14.437 1.00 23.45 N ATOM 1918 CA GLU A 123 0.960 -1.698 -15.552 1.00 44.42 C ATOM 1919 C GLU A 123 2.384 -2.129 -15.084 1.00 61.44 C ATOM 1920 O GLU A 123 2.827 -3.241 -15.391 1.00 5.21 O ATOM 1921 CB GLU A 123 1.028 -0.589 -16.639 1.00 23.31 C ATOM 1922 CG GLU A 123 -0.356 -0.210 -17.222 1.00 34.42 C ATOM 1923 CD GLU A 123 -0.298 0.920 -18.262 1.00 51.41 C ATOM 1924 OE1 GLU A 123 -0.407 2.106 -17.882 1.00 50.24 O ATOM 1925 OE2 GLU A 123 -0.134 0.626 -19.468 1.00 21.33 O ATOM 0 H GLU A 123 0.017 -0.217 -14.393 1.00 23.45 H new ATOM 0 HA GLU A 123 0.506 -2.594 -15.975 1.00 44.42 H new ATOM 0 HB2 GLU A 123 1.489 0.301 -16.211 1.00 23.31 H new ATOM 0 HB3 GLU A 123 1.675 -0.925 -17.449 1.00 23.31 H new ATOM 0 HG2 GLU A 123 -0.801 -1.093 -17.681 1.00 34.42 H new ATOM 0 HG3 GLU A 123 -1.014 0.091 -16.407 1.00 34.42 H new ATOM 1932 N SER A 124 3.097 -1.256 -14.339 1.00 64.33 N ATOM 1933 CA SER A 124 4.536 -1.500 -13.990 1.00 62.55 C ATOM 1934 C SER A 124 4.739 -2.388 -12.729 1.00 30.31 C ATOM 1935 O SER A 124 5.671 -3.196 -12.688 1.00 53.53 O ATOM 1936 CB SER A 124 5.268 -0.152 -13.793 1.00 53.34 C ATOM 1937 OG SER A 124 6.650 -0.333 -13.502 1.00 14.33 O ATOM 0 H SER A 124 2.717 -0.385 -13.967 1.00 64.33 H new ATOM 0 HA SER A 124 4.959 -2.052 -14.830 1.00 62.55 H new ATOM 0 HB2 SER A 124 5.163 0.452 -14.694 1.00 53.34 H new ATOM 0 HB3 SER A 124 4.796 0.402 -12.981 1.00 53.34 H new ATOM 0 HG SER A 124 7.077 0.541 -13.386 1.00 14.33 H new ATOM 1943 N PHE A 125 3.878 -2.233 -11.705 1.00 61.24 N ATOM 1944 CA PHE A 125 3.978 -3.007 -10.426 1.00 41.52 C ATOM 1945 C PHE A 125 2.835 -4.038 -10.271 1.00 31.14 C ATOM 1946 O PHE A 125 2.753 -4.706 -9.242 1.00 15.22 O ATOM 1947 CB PHE A 125 3.977 -2.048 -9.209 1.00 12.34 C ATOM 1948 CG PHE A 125 5.093 -1.006 -9.216 1.00 50.05 C ATOM 1949 CD1 PHE A 125 6.381 -1.334 -8.779 1.00 21.13 C ATOM 1950 CD2 PHE A 125 4.855 0.300 -9.656 1.00 40.43 C ATOM 1951 CE1 PHE A 125 7.390 -0.389 -8.780 1.00 12.14 C ATOM 1952 CE2 PHE A 125 5.867 1.242 -9.656 1.00 74.31 C ATOM 1953 CZ PHE A 125 7.131 0.896 -9.218 1.00 43.14 C ATOM 0 H PHE A 125 3.097 -1.578 -11.727 1.00 61.24 H new ATOM 0 HA PHE A 125 4.920 -3.555 -10.463 1.00 41.52 H new ATOM 0 HB2 PHE A 125 3.017 -1.532 -9.171 1.00 12.34 H new ATOM 0 HB3 PHE A 125 4.057 -2.640 -8.297 1.00 12.34 H new ATOM 0 HD1 PHE A 125 6.589 -2.337 -8.437 1.00 21.13 H new ATOM 0 HD2 PHE A 125 3.869 0.576 -10.000 1.00 40.43 H new ATOM 0 HE1 PHE A 125 8.380 -0.655 -8.439 1.00 12.14 H new ATOM 0 HE2 PHE A 125 5.670 2.247 -9.998 1.00 74.31 H new ATOM 0 HZ PHE A 125 7.920 1.633 -9.218 1.00 43.14 H new ATOM 1963 N GLY A 126 1.940 -4.110 -11.279 1.00 20.01 N ATOM 1964 CA GLY A 126 0.891 -5.152 -11.363 1.00 24.35 C ATOM 1965 C GLY A 126 -0.191 -5.122 -10.264 1.00 22.42 C ATOM 1966 O GLY A 126 -0.084 -4.398 -9.270 1.00 14.33 O ATOM 0 H GLY A 126 1.923 -3.450 -12.056 1.00 20.01 H new ATOM 0 HA2 GLY A 126 0.398 -5.064 -12.331 1.00 24.35 H new ATOM 0 HA3 GLY A 126 1.376 -6.128 -11.340 1.00 24.35 H new ATOM 1970 N ASP A 127 -1.278 -5.888 -10.489 1.00 71.24 N ATOM 1971 CA ASP A 127 -2.322 -6.141 -9.464 1.00 1.23 C ATOM 1972 C ASP A 127 -1.982 -7.394 -8.602 1.00 0.21 C ATOM 1973 O ASP A 127 -2.442 -7.523 -7.469 1.00 10.42 O ATOM 1974 CB ASP A 127 -3.719 -6.283 -10.128 1.00 2.13 C ATOM 1975 CG ASP A 127 -3.855 -7.548 -10.989 1.00 62.20 C ATOM 1976 OD1 ASP A 127 -3.262 -7.595 -12.090 1.00 74.25 O ATOM 1977 OD2 ASP A 127 -4.529 -8.509 -10.557 1.00 54.45 O ATOM 0 H ASP A 127 -1.460 -6.349 -11.381 1.00 71.24 H new ATOM 0 HA ASP A 127 -2.348 -5.281 -8.794 1.00 1.23 H new ATOM 0 HB2 ASP A 127 -4.483 -6.296 -9.351 1.00 2.13 H new ATOM 0 HB3 ASP A 127 -3.910 -5.407 -10.748 1.00 2.13 H new ATOM 1982 N ASN A 128 -1.199 -8.329 -9.167 1.00 34.45 N ATOM 1983 CA ASN A 128 -0.763 -9.569 -8.462 1.00 52.02 C ATOM 1984 C ASN A 128 0.733 -9.523 -8.080 1.00 71.13 C ATOM 1985 O ASN A 128 1.236 -10.434 -7.428 1.00 1.11 O ATOM 1986 CB ASN A 128 -1.063 -10.817 -9.333 1.00 73.51 C ATOM 1987 CG ASN A 128 -2.558 -11.089 -9.502 1.00 53.42 C ATOM 1988 OD1 ASN A 128 -3.360 -10.813 -8.614 1.00 11.40 O ATOM 1989 ND2 ASN A 128 -2.948 -11.630 -10.633 1.00 70.31 N ATOM 0 H ASN A 128 -0.846 -8.257 -10.121 1.00 34.45 H new ATOM 0 HA ASN A 128 -1.332 -9.636 -7.535 1.00 52.02 H new ATOM 0 HB2 ASN A 128 -0.611 -10.683 -10.316 1.00 73.51 H new ATOM 0 HB3 ASN A 128 -0.590 -11.689 -8.881 1.00 73.51 H new ATOM 0 HD21 ASN A 128 -3.936 -11.830 -10.789 1.00 70.31 H new ATOM 0 HD22 ASN A 128 -2.263 -11.850 -11.356 1.00 70.31 H new ATOM 1996 N VAL A 129 1.432 -8.455 -8.469 1.00 41.34 N ATOM 1997 CA VAL A 129 2.855 -8.249 -8.136 1.00 61.02 C ATOM 1998 C VAL A 129 2.978 -7.266 -6.944 1.00 51.32 C ATOM 1999 O VAL A 129 2.204 -6.304 -6.844 1.00 15.55 O ATOM 2000 CB VAL A 129 3.660 -7.707 -9.377 1.00 0.02 C ATOM 2001 CG1 VAL A 129 5.172 -7.586 -9.073 1.00 55.41 C ATOM 2002 CG2 VAL A 129 3.408 -8.565 -10.642 1.00 65.41 C ATOM 0 H VAL A 129 1.031 -7.701 -9.027 1.00 41.34 H new ATOM 0 HA VAL A 129 3.284 -9.211 -7.856 1.00 61.02 H new ATOM 0 HB VAL A 129 3.288 -6.703 -9.582 1.00 0.02 H new ATOM 0 HG11 VAL A 129 5.691 -7.209 -9.954 1.00 55.41 H new ATOM 0 HG12 VAL A 129 5.322 -6.898 -8.241 1.00 55.41 H new ATOM 0 HG13 VAL A 129 5.570 -8.566 -8.809 1.00 55.41 H new ATOM 0 HG21 VAL A 129 3.980 -8.160 -11.476 1.00 65.41 H new ATOM 0 HG22 VAL A 129 3.720 -9.592 -10.453 1.00 65.41 H new ATOM 0 HG23 VAL A 129 2.346 -8.548 -10.888 1.00 65.41 H new ATOM 2012 N VAL A 130 3.919 -7.540 -6.023 1.00 25.31 N ATOM 2013 CA VAL A 130 4.216 -6.657 -4.877 1.00 54.01 C ATOM 2014 C VAL A 130 5.113 -5.484 -5.357 1.00 22.12 C ATOM 2015 O VAL A 130 6.163 -5.733 -5.975 1.00 3.42 O ATOM 2016 CB VAL A 130 4.966 -7.433 -3.714 1.00 1.13 C ATOM 2017 CG1 VAL A 130 5.170 -6.534 -2.456 1.00 43.21 C ATOM 2018 CG2 VAL A 130 4.240 -8.751 -3.344 1.00 13.24 C ATOM 0 H VAL A 130 4.496 -8.380 -6.051 1.00 25.31 H new ATOM 0 HA VAL A 130 3.269 -6.287 -4.484 1.00 54.01 H new ATOM 0 HB VAL A 130 5.953 -7.695 -4.095 1.00 1.13 H new ATOM 0 HG11 VAL A 130 5.687 -7.102 -1.683 1.00 43.21 H new ATOM 0 HG12 VAL A 130 5.766 -5.662 -2.725 1.00 43.21 H new ATOM 0 HG13 VAL A 130 4.200 -6.209 -2.080 1.00 43.21 H new ATOM 0 HG21 VAL A 130 4.784 -9.254 -2.544 1.00 13.24 H new ATOM 0 HG22 VAL A 130 3.227 -8.527 -3.009 1.00 13.24 H new ATOM 0 HG23 VAL A 130 4.198 -9.401 -4.218 1.00 13.24 H new ATOM 2028 N PRO A 131 4.715 -4.193 -5.094 1.00 22.24 N ATOM 2029 CA PRO A 131 5.582 -3.013 -5.353 1.00 60.54 C ATOM 2030 C PRO A 131 6.847 -2.981 -4.461 1.00 42.40 C ATOM 2031 O PRO A 131 6.855 -3.497 -3.338 1.00 31.45 O ATOM 2032 CB PRO A 131 4.661 -1.795 -5.067 1.00 23.45 C ATOM 2033 CG PRO A 131 3.273 -2.353 -5.103 1.00 42.04 C ATOM 2034 CD PRO A 131 3.378 -3.775 -4.603 1.00 55.42 C ATOM 0 HA PRO A 131 5.973 -3.025 -6.370 1.00 60.54 H new ATOM 0 HB2 PRO A 131 4.884 -1.349 -4.098 1.00 23.45 H new ATOM 0 HB3 PRO A 131 4.793 -1.014 -5.815 1.00 23.45 H new ATOM 0 HG2 PRO A 131 2.602 -1.768 -4.475 1.00 42.04 H new ATOM 0 HG3 PRO A 131 2.868 -2.325 -6.115 1.00 42.04 H new ATOM 0 HD2 PRO A 131 3.310 -3.829 -3.516 1.00 55.42 H new ATOM 0 HD3 PRO A 131 2.584 -4.405 -5.003 1.00 55.42 H new ATOM 2042 N TYR A 132 7.900 -2.347 -4.982 1.00 74.13 N ATOM 2043 CA TYR A 132 9.223 -2.264 -4.332 1.00 51.12 C ATOM 2044 C TYR A 132 9.803 -0.842 -4.479 1.00 11.22 C ATOM 2045 O TYR A 132 9.335 -0.055 -5.317 1.00 64.21 O ATOM 2046 CB TYR A 132 10.180 -3.320 -4.970 1.00 65.31 C ATOM 2047 CG TYR A 132 10.308 -3.220 -6.512 1.00 72.11 C ATOM 2048 CD1 TYR A 132 11.277 -2.405 -7.108 1.00 41.42 C ATOM 2049 CD2 TYR A 132 9.446 -3.932 -7.362 1.00 70.51 C ATOM 2050 CE1 TYR A 132 11.382 -2.303 -8.479 1.00 21.14 C ATOM 2051 CE2 TYR A 132 9.553 -3.831 -8.737 1.00 62.04 C ATOM 2052 CZ TYR A 132 10.522 -3.015 -9.288 1.00 1.14 C ATOM 2053 OH TYR A 132 10.636 -2.914 -10.656 1.00 53.43 O ATOM 0 H TYR A 132 7.863 -1.867 -5.881 1.00 74.13 H new ATOM 0 HA TYR A 132 9.118 -2.477 -3.268 1.00 51.12 H new ATOM 0 HB2 TYR A 132 11.170 -3.209 -4.528 1.00 65.31 H new ATOM 0 HB3 TYR A 132 9.825 -4.317 -4.711 1.00 65.31 H new ATOM 0 HD1 TYR A 132 11.956 -1.845 -6.482 1.00 41.42 H new ATOM 0 HD2 TYR A 132 8.686 -4.569 -6.934 1.00 70.51 H new ATOM 0 HE1 TYR A 132 12.136 -1.667 -8.918 1.00 21.14 H new ATOM 0 HE2 TYR A 132 8.883 -4.387 -9.376 1.00 62.04 H new ATOM 0 HH TYR A 132 9.958 -3.478 -11.083 1.00 53.43 H new ATOM 2063 N PHE A 133 10.832 -0.530 -3.668 1.00 3.24 N ATOM 2064 CA PHE A 133 11.586 0.731 -3.799 1.00 41.41 C ATOM 2065 C PHE A 133 12.478 0.675 -5.062 1.00 54.42 C ATOM 2066 O PHE A 133 13.176 -0.319 -5.291 1.00 33.24 O ATOM 2067 CB PHE A 133 12.434 0.995 -2.530 1.00 53.50 C ATOM 2068 CG PHE A 133 13.253 2.296 -2.569 1.00 12.20 C ATOM 2069 CD1 PHE A 133 12.638 3.528 -2.344 1.00 72.02 C ATOM 2070 CD2 PHE A 133 14.632 2.286 -2.838 1.00 41.01 C ATOM 2071 CE1 PHE A 133 13.367 4.703 -2.381 1.00 63.30 C ATOM 2072 CE2 PHE A 133 15.357 3.465 -2.875 1.00 31.54 C ATOM 2073 CZ PHE A 133 14.725 4.672 -2.647 1.00 62.11 C ATOM 0 H PHE A 133 11.160 -1.135 -2.915 1.00 3.24 H new ATOM 0 HA PHE A 133 10.883 1.557 -3.904 1.00 41.41 H new ATOM 0 HB2 PHE A 133 11.771 1.024 -1.665 1.00 53.50 H new ATOM 0 HB3 PHE A 133 13.115 0.156 -2.382 1.00 53.50 H new ATOM 0 HD1 PHE A 133 11.578 3.565 -2.138 1.00 72.02 H new ATOM 0 HD2 PHE A 133 15.133 1.346 -3.018 1.00 41.01 H new ATOM 0 HE1 PHE A 133 12.875 5.648 -2.202 1.00 63.30 H new ATOM 0 HE2 PHE A 133 16.417 3.441 -3.082 1.00 31.54 H new ATOM 0 HZ PHE A 133 15.291 5.592 -2.676 1.00 62.11 H new