USER MOD reduce.3.24.130724 H: found=0, std=0, add=1002, rem=0, adj=25 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 81 ASN : amide:sc= -0.39 K(o=1.8,f=0.66!) USER MOD Set 1.2: A 99 HIS : no HD1:sc= 0.91 K(o=1.8,f=-2.3) USER MOD Set 1.3: A 115 TYR OH : rot 72:sc= 1.26 USER MOD Set 2.1: A 64 TYR OH : rot 20:sc= 1.14 USER MOD Set 2.2: A 84 HIS : no HD1:sc= -0.287 K(o=0.85,f=-5.6!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0598 USER MOD Single : A 15 ASN : amide:sc= 0.771 K(o=0.77,f=-0.03) USER MOD Single : A 22 TYR OH : rot 61:sc= 0.277 USER MOD Single : A 24 GLN : amide:sc= -0.592 K(o=-0.59,f=-2.4) USER MOD Single : A 28 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.62) USER MOD Single : A 30 TYR OH : rot -130:sc= 0.123 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0104 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 74:sc= 1.16 USER MOD Single : A 50 SER OG : rot -65:sc= 0.604 USER MOD Single : A 61 SER OG : rot 89:sc= -0.0771 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -0.26 X(o=-0.26,f=-0.48) USER MOD Single : A 71 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.4!) USER MOD Single : A 72 ASN : amide:sc= -0.568 X(o=-0.57,f=-0.2) USER MOD Single : A 74 HIS : no HD1:sc= -2.44! K(o=-2.4!,f=-0.51) USER MOD Single : A 75 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.12) 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) USER MOD Single : A 102 THR OG1 : rot 70:sc= 0.738 USER MOD Single : A 103 TYR OH : rot 139:sc= 0.735 USER MOD Single : A 104 HIS : no HD1:sc= -0.548 K(o=-0.55,f=0.15) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.649 K(o=-0.65,f=-0.02) USER MOD Single : A 108 TYR OH : rot -147:sc= 0.777 USER MOD Single : A 113 ASN : amide:sc= -2.59 K(o=-2.6,f=-0.48) USER MOD Single : A 114 SER OG : rot 61:sc= 0.952 USER MOD Single : A 118 SER OG : rot 47:sc= 1.22 USER MOD Single : A 121 TYR OH : rot 180:sc= -0.832 USER MOD Single : A 122 THR OG1 : rot 80:sc= 0.282 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc= -0.485 X(o=-0.49,f=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 10.965 -8.351 -7.548 1.00 13.10 N ATOM 21 CA PRO A 2 9.517 -8.417 -7.198 1.00 72.31 C ATOM 22 C PRO A 2 8.984 -9.878 -7.103 1.00 22.51 C ATOM 23 O PRO A 2 9.484 -10.781 -7.783 1.00 52.34 O ATOM 24 CB PRO A 2 8.866 -7.641 -8.368 1.00 24.41 C ATOM 25 CG PRO A 2 9.742 -7.935 -9.553 1.00 3.33 C ATOM 26 CD PRO A 2 11.158 -8.058 -9.003 1.00 65.11 C ATOM 0 HA PRO A 2 9.297 -8.002 -6.214 1.00 72.31 H new ATOM 0 HB2 PRO A 2 7.842 -7.971 -8.541 1.00 24.41 H new ATOM 0 HB3 PRO A 2 8.826 -6.572 -8.161 1.00 24.41 H new ATOM 0 HG2 PRO A 2 9.434 -8.856 -10.048 1.00 3.33 H new ATOM 0 HG3 PRO A 2 9.678 -7.138 -10.294 1.00 3.33 H new ATOM 0 HD2 PRO A 2 11.710 -8.856 -9.500 1.00 65.11 H new ATOM 0 HD3 PRO A 2 11.724 -7.138 -9.152 1.00 65.11 H new ATOM 34 N LEU A 3 7.977 -10.110 -6.239 1.00 72.43 N ATOM 35 CA LEU A 3 7.335 -11.442 -6.083 1.00 44.43 C ATOM 36 C LEU A 3 5.905 -11.379 -6.676 1.00 70.41 C ATOM 37 O LEU A 3 5.110 -10.539 -6.274 1.00 50.45 O ATOM 38 CB LEU A 3 7.319 -11.866 -4.570 1.00 45.11 C ATOM 39 CG LEU A 3 7.542 -13.393 -4.256 1.00 30.22 C ATOM 40 CD1 LEU A 3 7.488 -13.664 -2.736 1.00 22.04 C ATOM 41 CD2 LEU A 3 6.557 -14.316 -5.021 1.00 30.42 C ATOM 0 H LEU A 3 7.584 -9.391 -5.632 1.00 72.43 H new ATOM 0 HA LEU A 3 7.904 -12.199 -6.623 1.00 44.43 H new ATOM 0 HB2 LEU A 3 8.089 -11.297 -4.050 1.00 45.11 H new ATOM 0 HB3 LEU A 3 6.361 -11.568 -4.144 1.00 45.11 H new ATOM 0 HG LEU A 3 8.541 -13.639 -4.615 1.00 30.22 H new ATOM 0 HD11 LEU A 3 7.645 -14.726 -2.550 1.00 22.04 H new ATOM 0 HD12 LEU A 3 8.267 -13.089 -2.236 1.00 22.04 H new ATOM 0 HD13 LEU A 3 6.513 -13.368 -2.348 1.00 22.04 H new ATOM 0 HD21 LEU A 3 6.759 -15.356 -4.764 1.00 30.42 H new ATOM 0 HD22 LEU A 3 5.533 -14.066 -4.743 1.00 30.42 H new ATOM 0 HD23 LEU A 3 6.686 -14.176 -6.094 1.00 30.42 H new ATOM 53 N GLU A 4 5.579 -12.288 -7.605 1.00 23.33 N ATOM 54 CA GLU A 4 4.262 -12.303 -8.289 1.00 42.40 C ATOM 55 C GLU A 4 3.457 -13.550 -7.879 1.00 51.23 C ATOM 56 O GLU A 4 4.005 -14.663 -7.803 1.00 10.22 O ATOM 57 CB GLU A 4 4.468 -12.286 -9.830 1.00 71.32 C ATOM 58 CG GLU A 4 3.175 -12.306 -10.678 1.00 21.13 C ATOM 59 CD GLU A 4 3.468 -12.350 -12.189 1.00 64.41 C ATOM 60 OE1 GLU A 4 3.719 -11.287 -12.792 1.00 3.02 O ATOM 61 OE2 GLU A 4 3.495 -13.457 -12.771 1.00 43.22 O ATOM 0 H GLU A 4 6.209 -13.031 -7.907 1.00 23.33 H new ATOM 0 HA GLU A 4 3.703 -11.416 -7.992 1.00 42.40 H new ATOM 0 HB2 GLU A 4 5.039 -11.395 -10.092 1.00 71.32 H new ATOM 0 HB3 GLU A 4 5.076 -13.147 -10.107 1.00 71.32 H new ATOM 0 HG2 GLU A 4 2.575 -13.173 -10.401 1.00 21.13 H new ATOM 0 HG3 GLU A 4 2.580 -11.421 -10.451 1.00 21.13 H new ATOM 68 N TRP A 5 2.153 -13.359 -7.626 1.00 20.01 N ATOM 69 CA TRP A 5 1.244 -14.455 -7.269 1.00 41.43 C ATOM 70 C TRP A 5 0.539 -15.014 -8.520 1.00 22.50 C ATOM 71 O TRP A 5 0.192 -14.281 -9.447 1.00 73.24 O ATOM 72 CB TRP A 5 0.195 -14.011 -6.218 1.00 20.20 C ATOM 73 CG TRP A 5 -0.625 -15.168 -5.695 1.00 34.32 C ATOM 74 CD1 TRP A 5 -0.155 -16.229 -4.979 1.00 53.53 C ATOM 75 CD2 TRP A 5 -2.026 -15.396 -5.865 1.00 31.42 C ATOM 76 NE1 TRP A 5 -1.164 -17.105 -4.717 1.00 14.11 N ATOM 77 CE2 TRP A 5 -2.324 -16.618 -5.241 1.00 12.42 C ATOM 78 CE3 TRP A 5 -3.054 -14.694 -6.493 1.00 34.32 C ATOM 79 CZ2 TRP A 5 -3.607 -17.151 -5.214 1.00 12.23 C ATOM 80 CZ3 TRP A 5 -4.329 -15.224 -6.466 1.00 21.41 C ATOM 81 CH2 TRP A 5 -4.595 -16.443 -5.833 1.00 32.40 C ATOM 0 H TRP A 5 1.702 -12.445 -7.663 1.00 20.01 H new ATOM 0 HA TRP A 5 1.851 -15.244 -6.825 1.00 41.43 H new ATOM 0 HB2 TRP A 5 0.703 -13.524 -5.386 1.00 20.20 H new ATOM 0 HB3 TRP A 5 -0.470 -13.270 -6.663 1.00 20.20 H new ATOM 0 HD1 TRP A 5 0.870 -16.356 -4.665 1.00 53.53 H new ATOM 0 HE1 TRP A 5 -1.067 -17.985 -4.210 1.00 14.11 H new ATOM 0 HE3 TRP A 5 -2.857 -13.756 -6.990 1.00 34.32 H new ATOM 0 HZ2 TRP A 5 -3.814 -18.090 -4.722 1.00 12.23 H new ATOM 0 HZ3 TRP A 5 -5.136 -14.687 -6.943 1.00 21.41 H new ATOM 0 HH2 TRP A 5 -5.603 -16.831 -5.835 1.00 32.40 H new ATOM 92 N ARG A 6 0.338 -16.331 -8.501 1.00 13.33 N ATOM 93 CA ARG A 6 -0.287 -17.095 -9.585 1.00 21.15 C ATOM 94 C ARG A 6 -1.294 -18.110 -9.005 1.00 41.12 C ATOM 95 O ARG A 6 -1.179 -18.516 -7.839 1.00 25.31 O ATOM 96 CB ARG A 6 0.794 -17.824 -10.451 1.00 55.40 C ATOM 97 CG ARG A 6 1.772 -18.772 -9.684 1.00 13.52 C ATOM 98 CD ARG A 6 2.836 -18.021 -8.849 1.00 44.21 C ATOM 99 NE ARG A 6 3.745 -18.930 -8.136 1.00 44.15 N ATOM 100 CZ ARG A 6 4.623 -18.581 -7.210 1.00 62.34 C ATOM 101 NH1 ARG A 6 4.753 -17.346 -6.815 1.00 64.01 N ATOM 102 NH2 ARG A 6 5.378 -19.482 -6.691 1.00 4.30 N ATOM 0 H ARG A 6 0.612 -16.914 -7.710 1.00 13.33 H new ATOM 0 HA ARG A 6 -0.822 -16.401 -10.233 1.00 21.15 H new ATOM 0 HB2 ARG A 6 0.283 -18.407 -11.217 1.00 55.40 H new ATOM 0 HB3 ARG A 6 1.385 -17.068 -10.968 1.00 55.40 H new ATOM 0 HG2 ARG A 6 1.194 -19.419 -9.024 1.00 13.52 H new ATOM 0 HG3 ARG A 6 2.276 -19.418 -10.402 1.00 13.52 H new ATOM 0 HD2 ARG A 6 3.418 -17.375 -9.506 1.00 44.21 H new ATOM 0 HD3 ARG A 6 2.336 -17.375 -8.128 1.00 44.21 H new ATOM 0 HE ARG A 6 3.694 -19.920 -8.377 1.00 44.15 H new ATOM 0 HH11 ARG A 6 4.168 -16.616 -7.222 1.00 64.01 H new ATOM 0 HH12 ARG A 6 5.440 -17.109 -6.099 1.00 64.01 H new ATOM 0 HH21 ARG A 6 5.296 -20.453 -6.994 1.00 4.30 H new ATOM 0 HH22 ARG A 6 6.059 -19.227 -5.976 1.00 4.30 H new ATOM 116 N ALA A 7 -2.272 -18.528 -9.828 1.00 71.11 N ATOM 117 CA ALA A 7 -3.199 -19.621 -9.476 1.00 54.55 C ATOM 118 C ALA A 7 -2.422 -20.957 -9.334 1.00 42.32 C ATOM 119 O ALA A 7 -1.573 -21.277 -10.176 1.00 50.33 O ATOM 120 CB ALA A 7 -4.306 -19.734 -10.538 1.00 14.23 C ATOM 0 H ALA A 7 -2.442 -18.123 -10.748 1.00 71.11 H new ATOM 0 HA ALA A 7 -3.667 -19.399 -8.517 1.00 54.55 H new ATOM 0 HB1 ALA A 7 -4.986 -20.543 -10.270 1.00 14.23 H new ATOM 0 HB2 ALA A 7 -4.860 -18.796 -10.588 1.00 14.23 H new ATOM 0 HB3 ALA A 7 -3.858 -19.943 -11.510 1.00 14.23 H new ATOM 126 N GLY A 8 -2.690 -21.707 -8.250 1.00 63.34 N ATOM 127 CA GLY A 8 -1.982 -22.971 -7.965 1.00 5.22 C ATOM 128 C GLY A 8 -0.769 -22.814 -7.035 1.00 1.53 C ATOM 129 O GLY A 8 -0.125 -23.815 -6.696 1.00 11.14 O ATOM 0 H GLY A 8 -3.394 -21.460 -7.554 1.00 63.34 H new ATOM 0 HA2 GLY A 8 -2.683 -23.674 -7.515 1.00 5.22 H new ATOM 0 HA3 GLY A 8 -1.650 -23.410 -8.906 1.00 5.22 H new ATOM 133 N ALA A 9 -0.444 -21.561 -6.643 1.00 20.25 N ATOM 134 CA ALA A 9 0.674 -21.266 -5.706 1.00 74.33 C ATOM 135 C ALA A 9 0.439 -21.895 -4.306 1.00 33.03 C ATOM 136 O ALA A 9 -0.703 -21.990 -3.847 1.00 30.23 O ATOM 137 CB ALA A 9 0.890 -19.745 -5.588 1.00 5.44 C ATOM 0 H ALA A 9 -0.942 -20.730 -6.962 1.00 20.25 H new ATOM 0 HA ALA A 9 1.575 -21.720 -6.118 1.00 74.33 H new ATOM 0 HB1 ALA A 9 1.711 -19.546 -4.899 1.00 5.44 H new ATOM 0 HB2 ALA A 9 1.132 -19.335 -6.568 1.00 5.44 H new ATOM 0 HB3 ALA A 9 -0.020 -19.276 -5.213 1.00 5.44 H new ATOM 143 N SER A 10 1.540 -22.274 -3.625 1.00 45.12 N ATOM 144 CA SER A 10 1.485 -22.994 -2.316 1.00 33.13 C ATOM 145 C SER A 10 1.254 -22.023 -1.139 1.00 63.52 C ATOM 146 O SER A 10 1.416 -20.808 -1.293 1.00 52.34 O ATOM 147 CB SER A 10 2.793 -23.800 -2.089 1.00 71.22 C ATOM 148 OG SER A 10 2.960 -24.811 -3.073 1.00 52.54 O ATOM 0 H SER A 10 2.489 -22.096 -3.955 1.00 45.12 H new ATOM 0 HA SER A 10 0.639 -23.680 -2.355 1.00 33.13 H new ATOM 0 HB2 SER A 10 3.647 -23.123 -2.113 1.00 71.22 H new ATOM 0 HB3 SER A 10 2.774 -24.255 -1.099 1.00 71.22 H new ATOM 0 HG SER A 10 3.793 -25.299 -2.903 1.00 52.54 H new ATOM 154 N SER A 11 0.873 -22.575 0.039 1.00 42.24 N ATOM 155 CA SER A 11 0.566 -21.769 1.251 1.00 31.31 C ATOM 156 C SER A 11 1.746 -20.859 1.645 1.00 35.43 C ATOM 157 O SER A 11 1.577 -19.649 1.797 1.00 53.14 O ATOM 158 CB SER A 11 0.208 -22.684 2.448 1.00 12.14 C ATOM 159 OG SER A 11 1.295 -23.515 2.824 1.00 45.34 O ATOM 0 H SER A 11 0.770 -23.580 0.178 1.00 42.24 H new ATOM 0 HA SER A 11 -0.291 -21.142 1.004 1.00 31.31 H new ATOM 0 HB2 SER A 11 -0.090 -22.070 3.298 1.00 12.14 H new ATOM 0 HB3 SER A 11 -0.649 -23.304 2.187 1.00 12.14 H new ATOM 0 HG SER A 11 1.031 -24.076 3.583 1.00 45.34 H new ATOM 165 N ASP A 12 2.952 -21.454 1.725 1.00 64.10 N ATOM 166 CA ASP A 12 4.184 -20.749 2.145 1.00 45.42 C ATOM 167 C ASP A 12 4.617 -19.682 1.106 1.00 23.11 C ATOM 168 O ASP A 12 5.219 -18.672 1.472 1.00 2.24 O ATOM 169 CB ASP A 12 5.318 -21.774 2.410 1.00 12.31 C ATOM 170 CG ASP A 12 6.531 -21.157 3.131 1.00 32.52 C ATOM 171 OD1 ASP A 12 6.392 -20.794 4.320 1.00 75.43 O ATOM 172 OD2 ASP A 12 7.618 -21.032 2.520 1.00 64.11 O ATOM 0 H ASP A 12 3.102 -22.438 1.501 1.00 64.10 H new ATOM 0 HA ASP A 12 3.973 -20.217 3.073 1.00 45.42 H new ATOM 0 HB2 ASP A 12 4.925 -22.595 3.010 1.00 12.31 H new ATOM 0 HB3 ASP A 12 5.644 -22.200 1.461 1.00 12.31 H new ATOM 177 N GLU A 13 4.293 -19.917 -0.189 1.00 0.11 N ATOM 178 CA GLU A 13 4.479 -18.899 -1.254 1.00 51.44 C ATOM 179 C GLU A 13 3.662 -17.627 -0.957 1.00 2.54 C ATOM 180 O GLU A 13 4.189 -16.515 -1.001 1.00 70.44 O ATOM 181 CB GLU A 13 4.057 -19.450 -2.645 1.00 30.21 C ATOM 182 CG GLU A 13 4.934 -20.589 -3.187 1.00 43.23 C ATOM 183 CD GLU A 13 6.414 -20.190 -3.332 1.00 22.24 C ATOM 184 OE1 GLU A 13 6.714 -19.273 -4.132 1.00 52.12 O ATOM 185 OE2 GLU A 13 7.279 -20.790 -2.653 1.00 21.52 O ATOM 0 H GLU A 13 3.903 -20.799 -0.521 1.00 0.11 H new ATOM 0 HA GLU A 13 5.541 -18.653 -1.271 1.00 51.44 H new ATOM 0 HB2 GLU A 13 3.028 -19.803 -2.582 1.00 30.21 H new ATOM 0 HB3 GLU A 13 4.069 -18.630 -3.363 1.00 30.21 H new ATOM 0 HG2 GLU A 13 4.858 -21.448 -2.520 1.00 43.23 H new ATOM 0 HG3 GLU A 13 4.551 -20.905 -4.158 1.00 43.23 H new ATOM 192 N ILE A 14 2.368 -17.817 -0.643 1.00 21.24 N ATOM 193 CA ILE A 14 1.438 -16.702 -0.391 1.00 64.33 C ATOM 194 C ILE A 14 1.776 -15.980 0.940 1.00 71.22 C ATOM 195 O ILE A 14 1.665 -14.768 1.018 1.00 3.32 O ATOM 196 CB ILE A 14 -0.069 -17.166 -0.394 1.00 10.20 C ATOM 197 CG1 ILE A 14 -0.375 -18.049 -1.652 1.00 42.11 C ATOM 198 CG2 ILE A 14 -1.015 -15.941 -0.339 1.00 72.34 C ATOM 199 CD1 ILE A 14 -1.823 -18.515 -1.793 1.00 45.32 C ATOM 0 H ILE A 14 1.941 -18.739 -0.557 1.00 21.24 H new ATOM 0 HA ILE A 14 1.566 -15.999 -1.214 1.00 64.33 H new ATOM 0 HB ILE A 14 -0.243 -17.772 0.495 1.00 10.20 H new ATOM 0 HG12 ILE A 14 -0.105 -17.485 -2.545 1.00 42.11 H new ATOM 0 HG13 ILE A 14 0.270 -18.927 -1.623 1.00 42.11 H new ATOM 0 HG21 ILE A 14 -2.051 -16.281 -0.342 1.00 72.34 H new ATOM 0 HG22 ILE A 14 -0.822 -15.373 0.571 1.00 72.34 H new ATOM 0 HG23 ILE A 14 -0.839 -15.306 -1.207 1.00 72.34 H new ATOM 0 HD11 ILE A 14 -1.925 -19.118 -2.695 1.00 45.32 H new ATOM 0 HD12 ILE A 14 -2.099 -19.113 -0.924 1.00 45.32 H new ATOM 0 HD13 ILE A 14 -2.480 -17.647 -1.860 1.00 45.32 H new ATOM 211 N ASN A 15 2.208 -16.736 1.974 1.00 3.21 N ATOM 212 CA ASN A 15 2.673 -16.153 3.267 1.00 63.14 C ATOM 213 C ASN A 15 4.000 -15.362 3.107 1.00 3.32 C ATOM 214 O ASN A 15 4.242 -14.398 3.842 1.00 13.31 O ATOM 215 CB ASN A 15 2.812 -17.245 4.366 1.00 1.00 C ATOM 216 CG ASN A 15 1.458 -17.702 4.927 1.00 10.13 C ATOM 217 OD1 ASN A 15 0.916 -17.089 5.837 1.00 63.02 O ATOM 218 ND2 ASN A 15 0.913 -18.785 4.415 1.00 45.41 N ATOM 0 H ASN A 15 2.247 -17.755 1.944 1.00 3.21 H new ATOM 0 HA ASN A 15 1.907 -15.446 3.585 1.00 63.14 H new ATOM 0 HB2 ASN A 15 3.337 -18.106 3.952 1.00 1.00 H new ATOM 0 HB3 ASN A 15 3.425 -16.858 5.180 1.00 1.00 H new ATOM 0 HD21 ASN A 15 0.023 -19.128 4.776 1.00 45.41 H new ATOM 0 HD22 ASN A 15 1.381 -19.282 3.657 1.00 45.41 H new ATOM 225 N ALA A 16 4.855 -15.781 2.154 1.00 21.20 N ATOM 226 CA ALA A 16 6.090 -15.036 1.791 1.00 73.33 C ATOM 227 C ALA A 16 5.749 -13.706 1.062 1.00 42.31 C ATOM 228 O ALA A 16 6.419 -12.686 1.258 1.00 54.55 O ATOM 229 CB ALA A 16 7.005 -15.910 0.920 1.00 2.02 C ATOM 0 H ALA A 16 4.717 -16.636 1.615 1.00 21.20 H new ATOM 0 HA ALA A 16 6.618 -14.787 2.712 1.00 73.33 H new ATOM 0 HB1 ALA A 16 7.905 -15.351 0.662 1.00 2.02 H new ATOM 0 HB2 ALA A 16 7.282 -16.809 1.471 1.00 2.02 H new ATOM 0 HB3 ALA A 16 6.479 -16.191 0.008 1.00 2.02 H new ATOM 235 N ILE A 17 4.701 -13.755 0.213 1.00 24.53 N ATOM 236 CA ILE A 17 4.108 -12.565 -0.454 1.00 63.30 C ATOM 237 C ILE A 17 3.515 -11.582 0.585 1.00 34.33 C ATOM 238 O ILE A 17 3.780 -10.384 0.530 1.00 61.45 O ATOM 239 CB ILE A 17 3.002 -13.024 -1.485 1.00 52.02 C ATOM 240 CG1 ILE A 17 3.666 -13.804 -2.661 1.00 34.41 C ATOM 241 CG2 ILE A 17 2.131 -11.853 -2.011 1.00 0.44 C ATOM 242 CD1 ILE A 17 2.702 -14.462 -3.629 1.00 75.25 C ATOM 0 H ILE A 17 4.235 -14.628 -0.034 1.00 24.53 H new ATOM 0 HA ILE A 17 4.897 -12.040 -0.992 1.00 63.30 H new ATOM 0 HB ILE A 17 2.319 -13.684 -0.951 1.00 52.02 H new ATOM 0 HG12 ILE A 17 4.302 -13.116 -3.218 1.00 34.41 H new ATOM 0 HG13 ILE A 17 4.317 -14.572 -2.244 1.00 34.41 H new ATOM 0 HG21 ILE A 17 1.392 -12.237 -2.714 1.00 0.44 H new ATOM 0 HG22 ILE A 17 1.622 -11.374 -1.175 1.00 0.44 H new ATOM 0 HG23 ILE A 17 2.767 -11.124 -2.514 1.00 0.44 H new ATOM 0 HD11 ILE A 17 3.264 -14.977 -4.408 1.00 75.25 H new ATOM 0 HD12 ILE A 17 2.082 -15.181 -3.093 1.00 75.25 H new ATOM 0 HD13 ILE A 17 2.066 -13.702 -4.083 1.00 75.25 H new ATOM 254 N ILE A 18 2.741 -12.126 1.541 1.00 24.43 N ATOM 255 CA ILE A 18 2.168 -11.369 2.682 1.00 1.44 C ATOM 256 C ILE A 18 3.282 -10.626 3.465 1.00 2.42 C ATOM 257 O ILE A 18 3.173 -9.426 3.735 1.00 30.22 O ATOM 258 CB ILE A 18 1.375 -12.352 3.640 1.00 24.31 C ATOM 259 CG1 ILE A 18 0.083 -12.889 2.937 1.00 72.40 C ATOM 260 CG2 ILE A 18 1.038 -11.709 5.008 1.00 21.23 C ATOM 261 CD1 ILE A 18 -0.652 -13.988 3.697 1.00 73.20 C ATOM 0 H ILE A 18 2.490 -13.114 1.548 1.00 24.43 H new ATOM 0 HA ILE A 18 1.476 -10.623 2.292 1.00 1.44 H new ATOM 0 HB ILE A 18 2.035 -13.194 3.847 1.00 24.31 H new ATOM 0 HG12 ILE A 18 -0.601 -12.055 2.781 1.00 72.40 H new ATOM 0 HG13 ILE A 18 0.354 -13.268 1.951 1.00 72.40 H new ATOM 0 HG21 ILE A 18 0.495 -12.426 5.623 1.00 21.23 H new ATOM 0 HG22 ILE A 18 1.961 -11.423 5.513 1.00 21.23 H new ATOM 0 HG23 ILE A 18 0.421 -10.824 4.852 1.00 21.23 H new ATOM 0 HD11 ILE A 18 -1.532 -14.295 3.132 1.00 73.20 H new ATOM 0 HD12 ILE A 18 0.010 -14.844 3.830 1.00 73.20 H new ATOM 0 HD13 ILE A 18 -0.960 -13.612 4.673 1.00 73.20 H new ATOM 273 N ARG A 19 4.366 -11.360 3.766 1.00 54.33 N ATOM 274 CA ARG A 19 5.539 -10.832 4.492 1.00 41.33 C ATOM 275 C ARG A 19 6.205 -9.674 3.710 1.00 20.02 C ATOM 276 O ARG A 19 6.586 -8.647 4.295 1.00 2.22 O ATOM 277 CB ARG A 19 6.535 -12.011 4.784 1.00 1.10 C ATOM 278 CG ARG A 19 7.545 -11.795 5.944 1.00 10.34 C ATOM 279 CD ARG A 19 8.721 -10.857 5.606 1.00 3.53 C ATOM 280 NE ARG A 19 9.673 -11.463 4.648 1.00 0.02 N ATOM 281 CZ ARG A 19 10.946 -11.132 4.531 1.00 53.13 C ATOM 282 NH1 ARG A 19 11.469 -10.212 5.282 1.00 53.34 N ATOM 283 NH2 ARG A 19 11.693 -11.744 3.670 1.00 64.31 N ATOM 0 H ARG A 19 4.456 -12.344 3.512 1.00 54.33 H new ATOM 0 HA ARG A 19 5.221 -10.409 5.445 1.00 41.33 H new ATOM 0 HB2 ARG A 19 5.951 -12.905 5.003 1.00 1.10 H new ATOM 0 HB3 ARG A 19 7.099 -12.214 3.874 1.00 1.10 H new ATOM 0 HG2 ARG A 19 7.010 -11.390 6.803 1.00 10.34 H new ATOM 0 HG3 ARG A 19 7.945 -12.763 6.245 1.00 10.34 H new ATOM 0 HD2 ARG A 19 8.332 -9.928 5.188 1.00 3.53 H new ATOM 0 HD3 ARG A 19 9.250 -10.597 6.523 1.00 3.53 H new ATOM 0 HE ARG A 19 9.318 -12.193 4.030 1.00 0.02 H new ATOM 0 HH11 ARG A 19 10.895 -9.733 5.976 1.00 53.34 H new ATOM 0 HH12 ARG A 19 12.454 -9.968 5.179 1.00 53.34 H new ATOM 0 HH21 ARG A 19 11.298 -12.480 3.084 1.00 64.31 H new ATOM 0 HH22 ARG A 19 12.677 -11.491 3.577 1.00 64.31 H new ATOM 297 N ALA A 20 6.303 -9.852 2.385 1.00 34.31 N ATOM 298 CA ALA A 20 6.860 -8.839 1.470 1.00 74.21 C ATOM 299 C ALA A 20 5.984 -7.558 1.432 1.00 24.42 C ATOM 300 O ALA A 20 6.516 -6.454 1.426 1.00 24.23 O ATOM 301 CB ALA A 20 7.019 -9.442 0.062 1.00 32.20 C ATOM 0 H ALA A 20 5.998 -10.704 1.914 1.00 34.31 H new ATOM 0 HA ALA A 20 7.841 -8.543 1.842 1.00 74.21 H new ATOM 0 HB1 ALA A 20 7.431 -8.690 -0.611 1.00 32.20 H new ATOM 0 HB2 ALA A 20 7.693 -10.298 0.107 1.00 32.20 H new ATOM 0 HB3 ALA A 20 6.046 -9.766 -0.307 1.00 32.20 H new ATOM 307 N VAL A 21 4.639 -7.732 1.457 1.00 34.35 N ATOM 308 CA VAL A 21 3.661 -6.610 1.379 1.00 32.04 C ATOM 309 C VAL A 21 3.653 -5.752 2.670 1.00 11.44 C ATOM 310 O VAL A 21 3.715 -4.524 2.594 1.00 53.10 O ATOM 311 CB VAL A 21 2.201 -7.124 1.077 1.00 65.31 C ATOM 312 CG1 VAL A 21 1.158 -5.977 1.159 1.00 54.54 C ATOM 313 CG2 VAL A 21 2.126 -7.828 -0.300 1.00 24.34 C ATOM 0 H VAL A 21 4.200 -8.650 1.531 1.00 34.35 H new ATOM 0 HA VAL A 21 3.989 -5.983 0.550 1.00 32.04 H new ATOM 0 HB VAL A 21 1.955 -7.854 1.848 1.00 65.31 H new ATOM 0 HG11 VAL A 21 0.165 -6.372 0.945 1.00 54.54 H new ATOM 0 HG12 VAL A 21 1.169 -5.546 2.160 1.00 54.54 H new ATOM 0 HG13 VAL A 21 1.407 -5.206 0.430 1.00 54.54 H new ATOM 0 HG21 VAL A 21 1.107 -8.171 -0.478 1.00 24.34 H new ATOM 0 HG22 VAL A 21 2.416 -7.127 -1.083 1.00 24.34 H new ATOM 0 HG23 VAL A 21 2.803 -8.682 -0.309 1.00 24.34 H new ATOM 323 N TYR A 22 3.553 -6.402 3.849 1.00 34.32 N ATOM 324 CA TYR A 22 3.583 -5.694 5.158 1.00 44.23 C ATOM 325 C TYR A 22 4.889 -4.885 5.339 1.00 63.14 C ATOM 326 O TYR A 22 4.846 -3.704 5.692 1.00 51.11 O ATOM 327 CB TYR A 22 3.386 -6.678 6.344 1.00 65.34 C ATOM 328 CG TYR A 22 1.927 -7.075 6.613 1.00 72.23 C ATOM 329 CD1 TYR A 22 1.339 -8.174 5.990 1.00 11.34 C ATOM 330 CD2 TYR A 22 1.136 -6.335 7.493 1.00 14.10 C ATOM 331 CE1 TYR A 22 0.027 -8.521 6.235 1.00 72.11 C ATOM 332 CE2 TYR A 22 -0.175 -6.680 7.734 1.00 53.21 C ATOM 333 CZ TYR A 22 -0.726 -7.774 7.106 1.00 11.44 C ATOM 334 OH TYR A 22 -2.035 -8.117 7.354 1.00 54.04 O ATOM 0 H TYR A 22 3.451 -7.414 3.927 1.00 34.32 H new ATOM 0 HA TYR A 22 2.749 -4.993 5.157 1.00 44.23 H new ATOM 0 HB2 TYR A 22 3.964 -7.581 6.149 1.00 65.34 H new ATOM 0 HB3 TYR A 22 3.797 -6.225 7.246 1.00 65.34 H new ATOM 0 HD1 TYR A 22 1.923 -8.766 5.301 1.00 11.34 H new ATOM 0 HD2 TYR A 22 1.560 -5.477 7.994 1.00 14.10 H new ATOM 0 HE1 TYR A 22 -0.407 -9.379 5.743 1.00 72.11 H new ATOM 0 HE2 TYR A 22 -0.771 -6.092 8.416 1.00 53.21 H new ATOM 0 HH TYR A 22 -2.069 -9.013 7.749 1.00 54.04 H new ATOM 344 N ARG A 23 6.039 -5.521 5.060 1.00 21.21 N ATOM 345 CA ARG A 23 7.356 -4.858 5.161 1.00 44.14 C ATOM 346 C ARG A 23 7.504 -3.716 4.111 1.00 15.41 C ATOM 347 O ARG A 23 8.188 -2.720 4.355 1.00 22.54 O ATOM 348 CB ARG A 23 8.498 -5.895 5.003 1.00 44.44 C ATOM 349 CG ARG A 23 9.883 -5.314 5.337 1.00 31.31 C ATOM 350 CD ARG A 23 11.031 -6.332 5.275 1.00 42.41 C ATOM 351 NE ARG A 23 12.306 -5.699 5.675 1.00 44.12 N ATOM 352 CZ ARG A 23 13.170 -6.168 6.553 1.00 21.31 C ATOM 353 NH1 ARG A 23 12.975 -7.297 7.164 1.00 24.04 N ATOM 354 NH2 ARG A 23 14.223 -5.479 6.825 1.00 65.40 N ATOM 0 H ARG A 23 6.086 -6.495 4.762 1.00 21.21 H new ATOM 0 HA ARG A 23 7.426 -4.407 6.151 1.00 44.14 H new ATOM 0 HB2 ARG A 23 8.301 -6.748 5.653 1.00 44.44 H new ATOM 0 HB3 ARG A 23 8.503 -6.269 3.979 1.00 44.44 H new ATOM 0 HG2 ARG A 23 10.098 -4.500 4.645 1.00 31.31 H new ATOM 0 HG3 ARG A 23 9.851 -4.882 6.337 1.00 31.31 H new ATOM 0 HD2 ARG A 23 10.814 -7.174 5.932 1.00 42.41 H new ATOM 0 HD3 ARG A 23 11.117 -6.731 4.264 1.00 42.41 H new ATOM 0 HE ARG A 23 12.540 -4.813 5.228 1.00 44.12 H new ATOM 0 HH11 ARG A 23 12.137 -7.844 6.969 1.00 24.04 H new ATOM 0 HH12 ARG A 23 13.660 -7.637 7.839 1.00 24.04 H new ATOM 0 HH21 ARG A 23 14.380 -4.583 6.363 1.00 65.40 H new ATOM 0 HH22 ARG A 23 14.901 -5.829 7.502 1.00 65.40 H new ATOM 368 N GLN A 24 6.851 -3.886 2.949 1.00 11.24 N ATOM 369 CA GLN A 24 6.792 -2.862 1.873 1.00 10.03 C ATOM 370 C GLN A 24 5.984 -1.608 2.314 1.00 52.24 C ATOM 371 O GLN A 24 6.429 -0.473 2.121 1.00 53.25 O ATOM 372 CB GLN A 24 6.154 -3.514 0.605 1.00 21.25 C ATOM 373 CG GLN A 24 5.756 -2.558 -0.562 1.00 51.15 C ATOM 374 CD GLN A 24 4.258 -2.615 -0.926 1.00 53.22 C ATOM 375 OE1 GLN A 24 3.601 -3.643 -0.783 1.00 1.15 O ATOM 376 NE2 GLN A 24 3.711 -1.523 -1.424 1.00 64.31 N ATOM 0 H GLN A 24 6.343 -4.741 2.721 1.00 11.24 H new ATOM 0 HA GLN A 24 7.803 -2.520 1.650 1.00 10.03 H new ATOM 0 HB2 GLN A 24 6.856 -4.251 0.214 1.00 21.25 H new ATOM 0 HB3 GLN A 24 5.262 -4.057 0.917 1.00 21.25 H new ATOM 0 HG2 GLN A 24 6.015 -1.536 -0.287 1.00 51.15 H new ATOM 0 HG3 GLN A 24 6.345 -2.810 -1.444 1.00 51.15 H new ATOM 0 HE21 GLN A 24 4.271 -0.678 -1.536 1.00 64.31 H new ATOM 0 HE22 GLN A 24 2.728 -1.524 -1.697 1.00 64.31 H new ATOM 385 N VAL A 25 4.820 -1.842 2.955 1.00 54.22 N ATOM 386 CA VAL A 25 3.888 -0.766 3.378 1.00 11.10 C ATOM 387 C VAL A 25 4.427 0.027 4.593 1.00 35.21 C ATOM 388 O VAL A 25 4.204 1.231 4.691 1.00 0.44 O ATOM 389 CB VAL A 25 2.450 -1.344 3.679 1.00 22.03 C ATOM 390 CG1 VAL A 25 1.524 -0.299 4.363 1.00 44.33 C ATOM 391 CG2 VAL A 25 1.795 -1.897 2.380 1.00 64.21 C ATOM 0 H VAL A 25 4.497 -2.779 3.195 1.00 54.22 H new ATOM 0 HA VAL A 25 3.810 -0.068 2.544 1.00 11.10 H new ATOM 0 HB VAL A 25 2.577 -2.166 4.384 1.00 22.03 H new ATOM 0 HG11 VAL A 25 0.547 -0.745 4.549 1.00 44.33 H new ATOM 0 HG12 VAL A 25 1.966 0.015 5.309 1.00 44.33 H new ATOM 0 HG13 VAL A 25 1.409 0.567 3.711 1.00 44.33 H new ATOM 0 HG21 VAL A 25 0.805 -2.290 2.611 1.00 64.21 H new ATOM 0 HG22 VAL A 25 1.705 -1.095 1.648 1.00 64.21 H new ATOM 0 HG23 VAL A 25 2.416 -2.694 1.970 1.00 64.21 H new ATOM 401 N LEU A 26 5.138 -0.637 5.518 1.00 34.12 N ATOM 402 CA LEU A 26 5.753 0.052 6.677 1.00 24.51 C ATOM 403 C LEU A 26 7.135 0.644 6.344 1.00 0.55 C ATOM 404 O LEU A 26 7.500 1.698 6.870 1.00 13.54 O ATOM 405 CB LEU A 26 5.871 -0.880 7.917 1.00 50.43 C ATOM 406 CG LEU A 26 4.553 -1.089 8.734 1.00 11.22 C ATOM 407 CD1 LEU A 26 3.653 -2.197 8.147 1.00 75.02 C ATOM 408 CD2 LEU A 26 4.875 -1.333 10.214 1.00 61.21 C ATOM 0 H LEU A 26 5.304 -1.643 5.492 1.00 34.12 H new ATOM 0 HA LEU A 26 5.078 0.873 6.920 1.00 24.51 H new ATOM 0 HB2 LEU A 26 6.229 -1.854 7.584 1.00 50.43 H new ATOM 0 HB3 LEU A 26 6.630 -0.472 8.584 1.00 50.43 H new ATOM 0 HG LEU A 26 3.973 -0.170 8.657 1.00 11.22 H new ATOM 0 HD11 LEU A 26 2.754 -2.296 8.756 1.00 75.02 H new ATOM 0 HD12 LEU A 26 3.373 -1.936 7.126 1.00 75.02 H new ATOM 0 HD13 LEU A 26 4.195 -3.143 8.144 1.00 75.02 H new ATOM 0 HD21 LEU A 26 3.948 -1.477 10.769 1.00 61.21 H new ATOM 0 HD22 LEU A 26 5.497 -2.223 10.309 1.00 61.21 H new ATOM 0 HD23 LEU A 26 5.410 -0.473 10.617 1.00 61.21 H new ATOM 420 N GLY A 27 7.922 -0.061 5.506 1.00 12.23 N ATOM 421 CA GLY A 27 9.352 0.276 5.295 1.00 42.10 C ATOM 422 C GLY A 27 10.271 -0.260 6.417 1.00 34.14 C ATOM 423 O GLY A 27 11.478 -0.450 6.214 1.00 23.41 O ATOM 0 H GLY A 27 7.598 -0.863 4.966 1.00 12.23 H new ATOM 0 HA2 GLY A 27 9.679 -0.133 4.339 1.00 42.10 H new ATOM 0 HA3 GLY A 27 9.459 1.359 5.232 1.00 42.10 H new ATOM 427 N ASN A 28 9.687 -0.463 7.615 1.00 13.34 N ATOM 428 CA ASN A 28 10.325 -1.122 8.770 1.00 53.50 C ATOM 429 C ASN A 28 10.195 -2.672 8.640 1.00 70.22 C ATOM 430 O ASN A 28 9.451 -3.153 7.776 1.00 12.21 O ATOM 431 CB ASN A 28 9.646 -0.583 10.069 1.00 42.30 C ATOM 432 CG ASN A 28 10.286 -1.097 11.359 1.00 1.45 C ATOM 433 OD1 ASN A 28 9.863 -2.098 11.928 1.00 73.13 O ATOM 434 ND2 ASN A 28 11.335 -0.440 11.813 1.00 4.44 N ATOM 0 H ASN A 28 8.731 -0.164 7.810 1.00 13.34 H new ATOM 0 HA ASN A 28 11.391 -0.897 8.809 1.00 53.50 H new ATOM 0 HB2 ASN A 28 9.686 0.506 10.064 1.00 42.30 H new ATOM 0 HB3 ASN A 28 8.593 -0.863 10.060 1.00 42.30 H new ATOM 0 HD21 ASN A 28 11.813 -0.762 12.655 1.00 4.44 H new ATOM 0 HD22 ASN A 28 11.668 0.390 11.323 1.00 4.44 H new ATOM 441 N ASP A 29 10.922 -3.425 9.497 1.00 30.23 N ATOM 442 CA ASP A 29 10.951 -4.907 9.493 1.00 64.12 C ATOM 443 C ASP A 29 9.538 -5.560 9.453 1.00 20.13 C ATOM 444 O ASP A 29 9.181 -6.161 8.426 1.00 50.04 O ATOM 445 CB ASP A 29 11.753 -5.419 10.715 1.00 34.44 C ATOM 446 CG ASP A 29 13.235 -5.007 10.659 1.00 60.43 C ATOM 447 OD1 ASP A 29 13.570 -3.878 11.075 1.00 51.11 O ATOM 448 OD2 ASP A 29 14.073 -5.810 10.186 1.00 62.25 O ATOM 0 H ASP A 29 11.513 -3.016 10.221 1.00 30.23 H new ATOM 0 HA ASP A 29 11.445 -5.208 8.569 1.00 64.12 H new ATOM 0 HB2 ASP A 29 11.305 -5.030 11.629 1.00 34.44 H new ATOM 0 HB3 ASP A 29 11.682 -6.506 10.763 1.00 34.44 H new ATOM 453 N TYR A 30 8.727 -5.438 10.543 1.00 62.44 N ATOM 454 CA TYR A 30 7.420 -6.164 10.611 1.00 14.22 C ATOM 455 C TYR A 30 6.526 -5.757 11.815 1.00 41.25 C ATOM 456 O TYR A 30 6.965 -5.065 12.739 1.00 70.44 O ATOM 457 CB TYR A 30 7.692 -7.706 10.652 1.00 50.21 C ATOM 458 CG TYR A 30 6.754 -8.559 9.789 1.00 44.43 C ATOM 459 CD1 TYR A 30 6.410 -8.148 8.501 1.00 44.22 C ATOM 460 CD2 TYR A 30 6.265 -9.787 10.230 1.00 35.05 C ATOM 461 CE1 TYR A 30 5.609 -8.921 7.696 1.00 1.11 C ATOM 462 CE2 TYR A 30 5.462 -10.561 9.424 1.00 21.21 C ATOM 463 CZ TYR A 30 5.135 -10.129 8.162 1.00 5.43 C ATOM 464 OH TYR A 30 4.321 -10.902 7.368 1.00 53.02 O ATOM 0 H TYR A 30 8.942 -4.866 11.360 1.00 62.44 H new ATOM 0 HA TYR A 30 6.862 -5.883 9.718 1.00 14.22 H new ATOM 0 HB2 TYR A 30 8.718 -7.886 10.332 1.00 50.21 H new ATOM 0 HB3 TYR A 30 7.617 -8.044 11.685 1.00 50.21 H new ATOM 0 HD1 TYR A 30 6.781 -7.204 8.130 1.00 44.22 H new ATOM 0 HD2 TYR A 30 6.520 -10.137 11.219 1.00 35.05 H new ATOM 0 HE1 TYR A 30 5.352 -8.584 6.703 1.00 1.11 H new ATOM 0 HE2 TYR A 30 5.089 -11.508 9.784 1.00 21.21 H new ATOM 0 HH TYR A 30 3.523 -11.162 7.873 1.00 53.02 H new ATOM 474 N VAL A 31 5.250 -6.225 11.768 1.00 42.52 N ATOM 475 CA VAL A 31 4.264 -6.110 12.882 1.00 44.42 C ATOM 476 C VAL A 31 3.611 -7.487 13.186 1.00 62.11 C ATOM 477 O VAL A 31 3.436 -7.851 14.363 1.00 55.32 O ATOM 478 CB VAL A 31 3.126 -5.062 12.567 1.00 14.23 C ATOM 479 CG1 VAL A 31 2.041 -5.044 13.671 1.00 13.32 C ATOM 480 CG2 VAL A 31 3.704 -3.652 12.377 1.00 20.22 C ATOM 0 H VAL A 31 4.871 -6.698 10.948 1.00 42.52 H new ATOM 0 HA VAL A 31 4.821 -5.763 13.752 1.00 44.42 H new ATOM 0 HB VAL A 31 2.658 -5.376 11.634 1.00 14.23 H new ATOM 0 HG11 VAL A 31 1.276 -4.310 13.417 1.00 13.32 H new ATOM 0 HG12 VAL A 31 1.585 -6.031 13.749 1.00 13.32 H new ATOM 0 HG13 VAL A 31 2.497 -4.778 14.625 1.00 13.32 H new ATOM 0 HG21 VAL A 31 2.896 -2.953 12.161 1.00 20.22 H new ATOM 0 HG22 VAL A 31 4.217 -3.343 13.288 1.00 20.22 H new ATOM 0 HG23 VAL A 31 4.410 -3.657 11.547 1.00 20.22 H new ATOM 490 N MET A 32 3.236 -8.228 12.106 1.00 73.45 N ATOM 491 CA MET A 32 2.557 -9.551 12.197 1.00 44.35 C ATOM 492 C MET A 32 3.316 -10.531 13.145 1.00 0.40 C ATOM 493 O MET A 32 4.368 -11.081 12.806 1.00 45.11 O ATOM 494 CB MET A 32 2.361 -10.138 10.767 1.00 31.11 C ATOM 495 CG MET A 32 1.943 -11.609 10.695 1.00 25.14 C ATOM 496 SD MET A 32 1.972 -12.223 8.999 1.00 12.34 S ATOM 497 CE MET A 32 1.972 -13.992 9.251 1.00 70.11 C ATOM 0 H MET A 32 3.397 -7.923 11.146 1.00 73.45 H new ATOM 0 HA MET A 32 1.573 -9.410 12.645 1.00 44.35 H new ATOM 0 HB2 MET A 32 1.608 -9.542 10.251 1.00 31.11 H new ATOM 0 HB3 MET A 32 3.294 -10.019 10.216 1.00 31.11 H new ATOM 0 HG2 MET A 32 2.612 -12.209 11.312 1.00 25.14 H new ATOM 0 HG3 MET A 32 0.941 -11.724 11.108 1.00 25.14 H new ATOM 0 HE1 MET A 32 1.989 -14.497 8.285 1.00 70.11 H new ATOM 0 HE2 MET A 32 2.853 -14.278 9.825 1.00 70.11 H new ATOM 0 HE3 MET A 32 1.074 -14.282 9.796 1.00 70.11 H new ATOM 507 N SER A 33 2.733 -10.677 14.344 1.00 43.21 N ATOM 508 CA SER A 33 3.311 -11.342 15.538 1.00 24.22 C ATOM 509 C SER A 33 2.340 -11.046 16.696 1.00 64.25 C ATOM 510 O SER A 33 1.968 -11.921 17.480 1.00 3.13 O ATOM 511 CB SER A 33 4.734 -10.819 15.894 1.00 1.44 C ATOM 512 OG SER A 33 5.237 -11.434 17.074 1.00 60.11 O ATOM 0 H SER A 33 1.796 -10.318 14.524 1.00 43.21 H new ATOM 0 HA SER A 33 3.427 -12.409 15.346 1.00 24.22 H new ATOM 0 HB2 SER A 33 5.412 -11.014 15.064 1.00 1.44 H new ATOM 0 HB3 SER A 33 4.701 -9.738 16.032 1.00 1.44 H new ATOM 0 HG SER A 33 6.132 -11.085 17.269 1.00 60.11 H new ATOM 518 N THR A 34 1.959 -9.754 16.769 1.00 65.32 N ATOM 519 CA THR A 34 0.795 -9.265 17.548 1.00 73.24 C ATOM 520 C THR A 34 -0.491 -9.349 16.668 1.00 5.51 C ATOM 521 O THR A 34 -0.440 -9.892 15.556 1.00 65.14 O ATOM 522 CB THR A 34 1.048 -7.788 18.027 1.00 34.50 C ATOM 523 OG1 THR A 34 -0.032 -7.328 18.858 1.00 21.13 O ATOM 524 CG2 THR A 34 1.236 -6.819 16.841 1.00 32.43 C ATOM 0 H THR A 34 2.456 -9.008 16.283 1.00 65.32 H new ATOM 0 HA THR A 34 0.658 -9.890 18.431 1.00 73.24 H new ATOM 0 HB THR A 34 1.971 -7.798 18.606 1.00 34.50 H new ATOM 0 HG1 THR A 34 0.146 -6.408 19.146 1.00 21.13 H new ATOM 0 HG21 THR A 34 1.408 -5.811 17.218 1.00 32.43 H new ATOM 0 HG22 THR A 34 2.093 -7.135 16.246 1.00 32.43 H new ATOM 0 HG23 THR A 34 0.340 -6.826 16.220 1.00 32.43 H new ATOM 532 N GLU A 35 -1.631 -8.820 17.163 1.00 23.23 N ATOM 533 CA GLU A 35 -2.905 -8.766 16.391 1.00 14.33 C ATOM 534 C GLU A 35 -2.694 -8.014 15.044 1.00 0.12 C ATOM 535 O GLU A 35 -2.205 -6.876 15.014 1.00 3.20 O ATOM 536 CB GLU A 35 -4.015 -8.092 17.264 1.00 53.32 C ATOM 537 CG GLU A 35 -5.477 -8.510 16.960 1.00 33.04 C ATOM 538 CD GLU A 35 -5.991 -8.134 15.557 1.00 71.23 C ATOM 539 OE1 GLU A 35 -6.266 -6.941 15.316 1.00 35.34 O ATOM 540 OE2 GLU A 35 -6.107 -9.024 14.687 1.00 30.21 O ATOM 0 H GLU A 35 -1.701 -8.420 18.099 1.00 23.23 H new ATOM 0 HA GLU A 35 -3.229 -9.778 16.148 1.00 14.33 H new ATOM 0 HB2 GLU A 35 -3.807 -8.312 18.311 1.00 53.32 H new ATOM 0 HB3 GLU A 35 -3.936 -7.012 17.143 1.00 53.32 H new ATOM 0 HG2 GLU A 35 -5.562 -9.590 17.083 1.00 33.04 H new ATOM 0 HG3 GLU A 35 -6.130 -8.053 17.703 1.00 33.04 H new ATOM 547 N ARG A 36 -3.050 -8.689 13.942 1.00 71.23 N ATOM 548 CA ARG A 36 -2.808 -8.210 12.565 1.00 12.20 C ATOM 549 C ARG A 36 -3.992 -8.638 11.662 1.00 72.21 C ATOM 550 O ARG A 36 -4.859 -9.386 12.119 1.00 2.31 O ATOM 551 CB ARG A 36 -1.451 -8.785 12.057 1.00 3.53 C ATOM 552 CG ARG A 36 -0.777 -8.010 10.899 1.00 55.31 C ATOM 553 CD ARG A 36 -0.257 -6.600 11.309 1.00 4.12 C ATOM 554 NE ARG A 36 -1.171 -5.498 10.930 1.00 4.31 N ATOM 555 CZ ARG A 36 -1.877 -4.746 11.757 1.00 50.33 C ATOM 556 NH1 ARG A 36 -1.916 -4.991 13.024 1.00 43.35 N ATOM 557 NH2 ARG A 36 -2.576 -3.773 11.295 1.00 53.02 N ATOM 0 H ARG A 36 -3.520 -9.594 13.977 1.00 71.23 H new ATOM 0 HA ARG A 36 -2.744 -7.122 12.539 1.00 12.20 H new ATOM 0 HB2 ARG A 36 -0.757 -8.820 12.897 1.00 3.53 H new ATOM 0 HB3 ARG A 36 -1.613 -9.813 11.734 1.00 3.53 H new ATOM 0 HG2 ARG A 36 0.057 -8.598 10.517 1.00 55.31 H new ATOM 0 HG3 ARG A 36 -1.491 -7.901 10.082 1.00 55.31 H new ATOM 0 HD2 ARG A 36 -0.103 -6.578 12.388 1.00 4.12 H new ATOM 0 HD3 ARG A 36 0.715 -6.431 10.845 1.00 4.12 H new ATOM 0 HE ARG A 36 -1.265 -5.300 9.934 1.00 4.31 H new ATOM 0 HH11 ARG A 36 -1.395 -5.779 13.407 1.00 43.35 H new ATOM 0 HH12 ARG A 36 -2.468 -4.396 13.642 1.00 43.35 H new ATOM 0 HH21 ARG A 36 -2.585 -3.582 10.293 1.00 53.02 H new ATOM 0 HH22 ARG A 36 -3.122 -3.191 11.930 1.00 53.02 H new ATOM 571 N LEU A 37 -4.020 -8.197 10.379 1.00 40.30 N ATOM 572 CA LEU A 37 -5.188 -8.419 9.479 1.00 24.45 C ATOM 573 C LEU A 37 -5.230 -9.870 8.923 1.00 70.02 C ATOM 574 O LEU A 37 -5.084 -10.096 7.718 1.00 24.34 O ATOM 575 CB LEU A 37 -5.219 -7.374 8.320 1.00 62.31 C ATOM 576 CG LEU A 37 -4.991 -5.873 8.729 1.00 2.44 C ATOM 577 CD1 LEU A 37 -3.512 -5.471 8.606 1.00 62.33 C ATOM 578 CD2 LEU A 37 -5.891 -4.906 7.935 1.00 12.21 C ATOM 0 H LEU A 37 -3.252 -7.687 9.943 1.00 40.30 H new ATOM 0 HA LEU A 37 -6.084 -8.279 10.083 1.00 24.45 H new ATOM 0 HB2 LEU A 37 -4.457 -7.649 7.591 1.00 62.31 H new ATOM 0 HB3 LEU A 37 -6.183 -7.449 7.817 1.00 62.31 H new ATOM 0 HG LEU A 37 -5.277 -5.792 9.778 1.00 2.44 H new ATOM 0 HD11 LEU A 37 -3.393 -4.427 8.897 1.00 62.33 H new ATOM 0 HD12 LEU A 37 -2.908 -6.101 9.259 1.00 62.33 H new ATOM 0 HD13 LEU A 37 -3.185 -5.600 7.574 1.00 62.33 H new ATOM 0 HD21 LEU A 37 -5.696 -3.882 8.254 1.00 12.21 H new ATOM 0 HD22 LEU A 37 -5.677 -5.001 6.870 1.00 12.21 H new ATOM 0 HD23 LEU A 37 -6.938 -5.150 8.118 1.00 12.21 H new ATOM 590 N THR A 38 -5.452 -10.841 9.834 1.00 15.43 N ATOM 591 CA THR A 38 -5.481 -12.292 9.520 1.00 30.35 C ATOM 592 C THR A 38 -6.559 -12.677 8.479 1.00 51.05 C ATOM 593 O THR A 38 -6.359 -13.605 7.697 1.00 1.25 O ATOM 594 CB THR A 38 -5.685 -13.141 10.824 1.00 43.14 C ATOM 595 OG1 THR A 38 -5.760 -14.539 10.506 1.00 0.34 O ATOM 596 CG2 THR A 38 -6.946 -12.724 11.609 1.00 15.33 C ATOM 0 H THR A 38 -5.618 -10.641 10.820 1.00 15.43 H new ATOM 0 HA THR A 38 -4.511 -12.517 9.076 1.00 30.35 H new ATOM 0 HB THR A 38 -4.820 -12.951 11.460 1.00 43.14 H new ATOM 0 HG1 THR A 38 -5.886 -15.055 11.329 1.00 0.34 H new ATOM 0 HG21 THR A 38 -7.040 -13.342 12.502 1.00 15.33 H new ATOM 0 HG22 THR A 38 -6.864 -11.677 11.900 1.00 15.33 H new ATOM 0 HG23 THR A 38 -7.827 -12.858 10.981 1.00 15.33 H new ATOM 604 N SER A 39 -7.692 -11.949 8.474 1.00 22.43 N ATOM 605 CA SER A 39 -8.808 -12.196 7.525 1.00 35.52 C ATOM 606 C SER A 39 -8.448 -11.734 6.095 1.00 54.13 C ATOM 607 O SER A 39 -8.743 -12.435 5.129 1.00 10.11 O ATOM 608 CB SER A 39 -10.091 -11.492 8.003 1.00 21.52 C ATOM 609 OG SER A 39 -10.483 -11.952 9.288 1.00 11.11 O ATOM 0 H SER A 39 -7.864 -11.178 9.120 1.00 22.43 H new ATOM 0 HA SER A 39 -8.984 -13.271 7.497 1.00 35.52 H new ATOM 0 HB2 SER A 39 -9.927 -10.415 8.034 1.00 21.52 H new ATOM 0 HB3 SER A 39 -10.895 -11.672 7.289 1.00 21.52 H new ATOM 0 HG SER A 39 -11.299 -11.487 9.567 1.00 11.11 H new ATOM 615 N ALA A 40 -7.788 -10.556 5.975 1.00 22.51 N ATOM 616 CA ALA A 40 -7.297 -10.027 4.668 1.00 24.21 C ATOM 617 C ALA A 40 -6.232 -10.973 4.062 1.00 33.00 C ATOM 618 O ALA A 40 -6.234 -11.256 2.855 1.00 64.22 O ATOM 619 CB ALA A 40 -6.719 -8.607 4.836 1.00 3.34 C ATOM 0 H ALA A 40 -7.580 -9.949 6.768 1.00 22.51 H new ATOM 0 HA ALA A 40 -8.144 -9.975 3.984 1.00 24.21 H new ATOM 0 HB1 ALA A 40 -6.367 -8.241 3.871 1.00 3.34 H new ATOM 0 HB2 ALA A 40 -7.494 -7.941 5.216 1.00 3.34 H new ATOM 0 HB3 ALA A 40 -5.887 -8.634 5.539 1.00 3.34 H new ATOM 625 N GLU A 41 -5.318 -11.440 4.938 1.00 0.14 N ATOM 626 CA GLU A 41 -4.329 -12.498 4.629 1.00 74.41 C ATOM 627 C GLU A 41 -5.013 -13.796 4.136 1.00 33.10 C ATOM 628 O GLU A 41 -4.601 -14.377 3.137 1.00 14.53 O ATOM 629 CB GLU A 41 -3.462 -12.772 5.894 1.00 50.01 C ATOM 630 CG GLU A 41 -2.570 -11.575 6.319 1.00 11.13 C ATOM 631 CD GLU A 41 -1.835 -11.768 7.663 1.00 70.24 C ATOM 632 OE1 GLU A 41 -1.116 -12.778 7.814 1.00 55.11 O ATOM 633 OE2 GLU A 41 -1.981 -10.913 8.577 1.00 42.34 O ATOM 0 H GLU A 41 -5.244 -11.089 5.893 1.00 0.14 H new ATOM 0 HA GLU A 41 -3.689 -12.151 3.817 1.00 74.41 H new ATOM 0 HB2 GLU A 41 -4.120 -13.034 6.723 1.00 50.01 H new ATOM 0 HB3 GLU A 41 -2.826 -13.637 5.706 1.00 50.01 H new ATOM 0 HG2 GLU A 41 -1.831 -11.394 5.538 1.00 11.13 H new ATOM 0 HG3 GLU A 41 -3.191 -10.681 6.384 1.00 11.13 H new ATOM 640 N SER A 42 -6.087 -14.210 4.833 1.00 63.34 N ATOM 641 CA SER A 42 -6.885 -15.414 4.475 1.00 4.13 C ATOM 642 C SER A 42 -7.613 -15.261 3.118 1.00 31.32 C ATOM 643 O SER A 42 -7.827 -16.252 2.412 1.00 71.44 O ATOM 644 CB SER A 42 -7.918 -15.729 5.586 1.00 42.51 C ATOM 645 OG SER A 42 -7.277 -16.068 6.808 1.00 41.42 O ATOM 0 H SER A 42 -6.432 -13.725 5.661 1.00 63.34 H new ATOM 0 HA SER A 42 -6.180 -16.240 4.380 1.00 4.13 H new ATOM 0 HB2 SER A 42 -8.564 -14.865 5.740 1.00 42.51 H new ATOM 0 HB3 SER A 42 -8.557 -16.553 5.268 1.00 42.51 H new ATOM 0 HG SER A 42 -6.906 -15.259 7.218 1.00 41.42 H new ATOM 651 N LEU A 43 -7.997 -14.018 2.763 1.00 33.01 N ATOM 652 CA LEU A 43 -8.640 -13.714 1.463 1.00 72.22 C ATOM 653 C LEU A 43 -7.623 -13.809 0.298 1.00 4.54 C ATOM 654 O LEU A 43 -7.974 -14.249 -0.794 1.00 54.13 O ATOM 655 CB LEU A 43 -9.310 -12.309 1.495 1.00 72.31 C ATOM 656 CG LEU A 43 -10.524 -12.134 2.464 1.00 35.14 C ATOM 657 CD1 LEU A 43 -11.063 -10.684 2.438 1.00 61.14 C ATOM 658 CD2 LEU A 43 -11.640 -13.167 2.163 1.00 15.22 C ATOM 0 H LEU A 43 -7.873 -13.201 3.362 1.00 33.01 H new ATOM 0 HA LEU A 43 -9.415 -14.461 1.292 1.00 72.22 H new ATOM 0 HB2 LEU A 43 -8.550 -11.575 1.765 1.00 72.31 H new ATOM 0 HB3 LEU A 43 -9.642 -12.067 0.485 1.00 72.31 H new ATOM 0 HG LEU A 43 -10.169 -12.328 3.476 1.00 35.14 H new ATOM 0 HD11 LEU A 43 -11.907 -10.597 3.123 1.00 61.14 H new ATOM 0 HD12 LEU A 43 -10.274 -9.997 2.745 1.00 61.14 H new ATOM 0 HD13 LEU A 43 -11.388 -10.435 1.428 1.00 61.14 H new ATOM 0 HD21 LEU A 43 -12.470 -13.018 2.854 1.00 15.22 H new ATOM 0 HD22 LEU A 43 -11.992 -13.035 1.140 1.00 15.22 H new ATOM 0 HD23 LEU A 43 -11.244 -14.176 2.283 1.00 15.22 H new ATOM 670 N LEU A 44 -6.361 -13.391 0.537 1.00 51.12 N ATOM 671 CA LEU A 44 -5.272 -13.536 -0.466 1.00 44.11 C ATOM 672 C LEU A 44 -4.878 -15.030 -0.638 1.00 74.11 C ATOM 673 O LEU A 44 -4.718 -15.524 -1.761 1.00 75.24 O ATOM 674 CB LEU A 44 -4.025 -12.700 -0.059 1.00 62.31 C ATOM 675 CG LEU A 44 -2.867 -12.677 -1.113 1.00 34.35 C ATOM 676 CD1 LEU A 44 -3.318 -12.007 -2.429 1.00 1.20 C ATOM 677 CD2 LEU A 44 -1.586 -12.029 -0.543 1.00 4.52 C ATOM 0 H LEU A 44 -6.067 -12.952 1.410 1.00 51.12 H new ATOM 0 HA LEU A 44 -5.645 -13.160 -1.419 1.00 44.11 H new ATOM 0 HB2 LEU A 44 -4.341 -11.675 0.133 1.00 62.31 H new ATOM 0 HB3 LEU A 44 -3.634 -13.093 0.879 1.00 62.31 H new ATOM 0 HG LEU A 44 -2.618 -13.712 -1.347 1.00 34.35 H new ATOM 0 HD11 LEU A 44 -2.491 -12.007 -3.139 1.00 1.20 H new ATOM 0 HD12 LEU A 44 -4.158 -12.560 -2.850 1.00 1.20 H new ATOM 0 HD13 LEU A 44 -3.624 -10.980 -2.228 1.00 1.20 H new ATOM 0 HD21 LEU A 44 -0.807 -12.032 -1.305 1.00 4.52 H new ATOM 0 HD22 LEU A 44 -1.799 -11.002 -0.246 1.00 4.52 H new ATOM 0 HD23 LEU A 44 -1.247 -12.595 0.325 1.00 4.52 H new ATOM 689 N ARG A 45 -4.741 -15.730 0.505 1.00 33.41 N ATOM 690 CA ARG A 45 -4.448 -17.185 0.559 1.00 35.21 C ATOM 691 C ARG A 45 -5.580 -18.026 -0.080 1.00 71.15 C ATOM 692 O ARG A 45 -5.319 -19.061 -0.701 1.00 32.32 O ATOM 693 CB ARG A 45 -4.192 -17.621 2.034 1.00 62.12 C ATOM 694 CG ARG A 45 -2.915 -17.005 2.662 1.00 42.52 C ATOM 695 CD ARG A 45 -2.791 -17.252 4.179 1.00 74.11 C ATOM 696 NE ARG A 45 -2.742 -18.682 4.518 1.00 23.41 N ATOM 697 CZ ARG A 45 -2.480 -19.180 5.705 1.00 34.44 C ATOM 698 NH1 ARG A 45 -2.202 -18.417 6.719 1.00 31.24 N ATOM 699 NH2 ARG A 45 -2.488 -20.460 5.864 1.00 64.00 N ATOM 0 H ARG A 45 -4.830 -15.303 1.427 1.00 33.41 H new ATOM 0 HA ARG A 45 -3.547 -17.370 -0.027 1.00 35.21 H new ATOM 0 HB2 ARG A 45 -5.054 -17.340 2.640 1.00 62.12 H new ATOM 0 HB3 ARG A 45 -4.115 -18.708 2.073 1.00 62.12 H new ATOM 0 HG2 ARG A 45 -2.039 -17.419 2.162 1.00 42.52 H new ATOM 0 HG3 ARG A 45 -2.911 -15.931 2.476 1.00 42.52 H new ATOM 0 HD2 ARG A 45 -1.890 -16.764 4.550 1.00 74.11 H new ATOM 0 HD3 ARG A 45 -3.637 -16.791 4.689 1.00 74.11 H new ATOM 0 HE ARG A 45 -2.928 -19.345 3.766 1.00 23.41 H new ATOM 0 HH11 ARG A 45 -2.183 -17.404 6.605 1.00 31.24 H new ATOM 0 HH12 ARG A 45 -2.003 -18.831 7.629 1.00 31.24 H new ATOM 0 HH21 ARG A 45 -2.696 -21.071 5.074 1.00 64.00 H new ATOM 0 HH22 ARG A 45 -2.286 -20.861 6.780 1.00 64.00 H new ATOM 713 N GLY A 46 -6.830 -17.553 0.070 1.00 35.23 N ATOM 714 CA GLY A 46 -8.008 -18.213 -0.517 1.00 50.13 C ATOM 715 C GLY A 46 -8.273 -17.829 -1.980 1.00 52.54 C ATOM 716 O GLY A 46 -9.156 -18.408 -2.619 1.00 34.00 O ATOM 0 H GLY A 46 -7.050 -16.708 0.598 1.00 35.23 H new ATOM 0 HA2 GLY A 46 -7.876 -19.293 -0.453 1.00 50.13 H new ATOM 0 HA3 GLY A 46 -8.886 -17.964 0.078 1.00 50.13 H new ATOM 720 N GLY A 47 -7.500 -16.845 -2.502 1.00 30.21 N ATOM 721 CA GLY A 47 -7.674 -16.337 -3.878 1.00 72.11 C ATOM 722 C GLY A 47 -8.931 -15.485 -4.086 1.00 21.44 C ATOM 723 O GLY A 47 -9.362 -15.266 -5.224 1.00 50.42 O ATOM 0 H GLY A 47 -6.748 -16.388 -1.985 1.00 30.21 H new ATOM 0 HA2 GLY A 47 -6.800 -15.744 -4.146 1.00 72.11 H new ATOM 0 HA3 GLY A 47 -7.707 -17.184 -4.563 1.00 72.11 H new ATOM 727 N GLU A 48 -9.515 -15.012 -2.979 1.00 23.24 N ATOM 728 CA GLU A 48 -10.750 -14.203 -2.988 1.00 1.11 C ATOM 729 C GLU A 48 -10.472 -12.739 -3.416 1.00 12.40 C ATOM 730 O GLU A 48 -11.313 -12.100 -4.052 1.00 43.04 O ATOM 731 CB GLU A 48 -11.391 -14.238 -1.575 1.00 44.01 C ATOM 732 CG GLU A 48 -11.629 -15.657 -1.006 1.00 64.13 C ATOM 733 CD GLU A 48 -12.571 -16.520 -1.872 1.00 40.23 C ATOM 734 OE1 GLU A 48 -13.807 -16.339 -1.780 1.00 23.04 O ATOM 735 OE2 GLU A 48 -12.084 -17.373 -2.648 1.00 5.22 O ATOM 0 H GLU A 48 -9.145 -15.178 -2.043 1.00 23.24 H new ATOM 0 HA GLU A 48 -11.438 -14.629 -3.719 1.00 1.11 H new ATOM 0 HB2 GLU A 48 -10.749 -13.689 -0.886 1.00 44.01 H new ATOM 0 HB3 GLU A 48 -12.345 -13.711 -1.611 1.00 44.01 H new ATOM 0 HG2 GLU A 48 -10.670 -16.166 -0.909 1.00 64.13 H new ATOM 0 HG3 GLU A 48 -12.047 -15.572 -0.003 1.00 64.13 H new ATOM 742 N ILE A 49 -9.274 -12.224 -3.065 1.00 65.31 N ATOM 743 CA ILE A 49 -8.809 -10.873 -3.470 1.00 5.24 C ATOM 744 C ILE A 49 -7.470 -10.978 -4.236 1.00 25.33 C ATOM 745 O ILE A 49 -6.766 -11.994 -4.147 1.00 75.24 O ATOM 746 CB ILE A 49 -8.631 -9.894 -2.234 1.00 43.24 C ATOM 747 CG1 ILE A 49 -7.483 -10.374 -1.274 1.00 14.21 C ATOM 748 CG2 ILE A 49 -9.971 -9.708 -1.470 1.00 73.22 C ATOM 749 CD1 ILE A 49 -7.174 -9.436 -0.109 1.00 54.43 C ATOM 0 H ILE A 49 -8.599 -12.731 -2.492 1.00 65.31 H new ATOM 0 HA ILE A 49 -9.581 -10.454 -4.116 1.00 5.24 H new ATOM 0 HB ILE A 49 -8.335 -8.921 -2.626 1.00 43.24 H new ATOM 0 HG12 ILE A 49 -7.752 -11.350 -0.872 1.00 14.21 H new ATOM 0 HG13 ILE A 49 -6.574 -10.511 -1.860 1.00 14.21 H new ATOM 0 HG21 ILE A 49 -9.819 -9.032 -0.628 1.00 73.22 H new ATOM 0 HG22 ILE A 49 -10.718 -9.287 -2.143 1.00 73.22 H new ATOM 0 HG23 ILE A 49 -10.317 -10.674 -1.102 1.00 73.22 H new ATOM 0 HD11 ILE A 49 -6.369 -9.857 0.493 1.00 54.43 H new ATOM 0 HD12 ILE A 49 -6.868 -8.464 -0.496 1.00 54.43 H new ATOM 0 HD13 ILE A 49 -8.064 -9.317 0.508 1.00 54.43 H new ATOM 761 N SER A 50 -7.130 -9.918 -4.995 1.00 34.55 N ATOM 762 CA SER A 50 -5.814 -9.807 -5.673 1.00 1.04 C ATOM 763 C SER A 50 -4.754 -9.254 -4.696 1.00 11.04 C ATOM 764 O SER A 50 -5.091 -8.740 -3.619 1.00 51.55 O ATOM 765 CB SER A 50 -5.908 -8.892 -6.928 1.00 71.01 C ATOM 766 OG SER A 50 -6.135 -7.530 -6.581 1.00 34.12 O ATOM 0 H SER A 50 -7.747 -9.122 -5.157 1.00 34.55 H new ATOM 0 HA SER A 50 -5.516 -10.804 -5.997 1.00 1.04 H new ATOM 0 HB2 SER A 50 -4.986 -8.970 -7.503 1.00 71.01 H new ATOM 0 HB3 SER A 50 -6.716 -9.241 -7.571 1.00 71.01 H new ATOM 0 HG SER A 50 -7.015 -7.442 -6.159 1.00 34.12 H new ATOM 772 N VAL A 51 -3.468 -9.365 -5.077 1.00 11.41 N ATOM 773 CA VAL A 51 -2.349 -8.747 -4.320 1.00 53.04 C ATOM 774 C VAL A 51 -2.497 -7.201 -4.288 1.00 1.21 C ATOM 775 O VAL A 51 -2.112 -6.558 -3.319 1.00 31.44 O ATOM 776 CB VAL A 51 -0.953 -9.163 -4.923 1.00 71.35 C ATOM 777 CG1 VAL A 51 0.240 -8.506 -4.172 1.00 71.40 C ATOM 778 CG2 VAL A 51 -0.811 -10.707 -4.955 1.00 72.41 C ATOM 0 H VAL A 51 -3.171 -9.878 -5.907 1.00 11.41 H new ATOM 0 HA VAL A 51 -2.392 -9.118 -3.296 1.00 53.04 H new ATOM 0 HB VAL A 51 -0.920 -8.788 -5.946 1.00 71.35 H new ATOM 0 HG11 VAL A 51 1.177 -8.826 -4.627 1.00 71.40 H new ATOM 0 HG12 VAL A 51 0.157 -7.421 -4.236 1.00 71.40 H new ATOM 0 HG13 VAL A 51 0.223 -8.810 -3.125 1.00 71.40 H new ATOM 0 HG21 VAL A 51 0.159 -10.975 -5.374 1.00 72.41 H new ATOM 0 HG22 VAL A 51 -0.889 -11.101 -3.942 1.00 72.41 H new ATOM 0 HG23 VAL A 51 -1.603 -11.132 -5.572 1.00 72.41 H new ATOM 788 N ARG A 52 -3.110 -6.636 -5.349 1.00 14.21 N ATOM 789 CA ARG A 52 -3.410 -5.190 -5.448 1.00 2.53 C ATOM 790 C ARG A 52 -4.347 -4.734 -4.300 1.00 65.41 C ATOM 791 O ARG A 52 -4.067 -3.749 -3.602 1.00 20.43 O ATOM 792 CB ARG A 52 -4.045 -4.853 -6.833 1.00 64.43 C ATOM 793 CG ARG A 52 -3.987 -3.352 -7.232 1.00 23.23 C ATOM 794 CD ARG A 52 -2.616 -2.917 -7.815 1.00 60.14 C ATOM 795 NE ARG A 52 -1.467 -3.275 -6.947 1.00 53.25 N ATOM 796 CZ ARG A 52 -0.230 -3.497 -7.358 1.00 44.34 C ATOM 797 NH1 ARG A 52 0.137 -3.195 -8.564 1.00 51.32 N ATOM 798 NH2 ARG A 52 0.648 -3.959 -6.531 1.00 51.35 N ATOM 0 H ARG A 52 -3.412 -7.170 -6.164 1.00 14.21 H new ATOM 0 HA ARG A 52 -2.470 -4.647 -5.355 1.00 2.53 H new ATOM 0 HB2 ARG A 52 -3.538 -5.438 -7.601 1.00 64.43 H new ATOM 0 HB3 ARG A 52 -5.087 -5.172 -6.826 1.00 64.43 H new ATOM 0 HG2 ARG A 52 -4.766 -3.150 -7.967 1.00 23.23 H new ATOM 0 HG3 ARG A 52 -4.210 -2.743 -6.356 1.00 23.23 H new ATOM 0 HD2 ARG A 52 -2.482 -3.380 -8.793 1.00 60.14 H new ATOM 0 HD3 ARG A 52 -2.622 -1.838 -7.971 1.00 60.14 H new ATOM 0 HE ARG A 52 -1.647 -3.357 -5.946 1.00 53.25 H new ATOM 0 HH11 ARG A 52 -0.532 -2.780 -9.212 1.00 51.32 H new ATOM 0 HH12 ARG A 52 1.095 -3.373 -8.865 1.00 51.32 H new ATOM 0 HH21 ARG A 52 0.386 -4.151 -5.564 1.00 51.35 H new ATOM 0 HH22 ARG A 52 1.603 -4.131 -6.845 1.00 51.35 H new ATOM 812 N ASP A 53 -5.436 -5.501 -4.101 1.00 53.40 N ATOM 813 CA ASP A 53 -6.401 -5.279 -3.004 1.00 70.12 C ATOM 814 C ASP A 53 -5.769 -5.552 -1.621 1.00 71.13 C ATOM 815 O ASP A 53 -6.134 -4.909 -0.628 1.00 73.32 O ATOM 816 CB ASP A 53 -7.648 -6.174 -3.192 1.00 31.33 C ATOM 817 CG ASP A 53 -8.481 -5.778 -4.416 1.00 22.34 C ATOM 818 OD1 ASP A 53 -9.012 -4.647 -4.432 1.00 24.01 O ATOM 819 OD2 ASP A 53 -8.614 -6.585 -5.360 1.00 13.53 O ATOM 0 H ASP A 53 -5.673 -6.294 -4.697 1.00 53.40 H new ATOM 0 HA ASP A 53 -6.697 -4.231 -3.040 1.00 70.12 H new ATOM 0 HB2 ASP A 53 -7.333 -7.213 -3.293 1.00 31.33 H new ATOM 0 HB3 ASP A 53 -8.271 -6.115 -2.299 1.00 31.33 H new ATOM 824 N PHE A 54 -4.824 -6.509 -1.570 1.00 74.11 N ATOM 825 CA PHE A 54 -4.137 -6.878 -0.321 1.00 61.54 C ATOM 826 C PHE A 54 -3.203 -5.741 0.174 1.00 31.34 C ATOM 827 O PHE A 54 -3.213 -5.416 1.363 1.00 33.24 O ATOM 828 CB PHE A 54 -3.349 -8.200 -0.491 1.00 15.31 C ATOM 829 CG PHE A 54 -2.718 -8.687 0.811 1.00 52.51 C ATOM 830 CD1 PHE A 54 -3.523 -9.099 1.873 1.00 42.44 C ATOM 831 CD2 PHE A 54 -1.337 -8.712 0.986 1.00 0.30 C ATOM 832 CE1 PHE A 54 -2.964 -9.518 3.060 1.00 12.44 C ATOM 833 CE2 PHE A 54 -0.783 -9.137 2.177 1.00 62.43 C ATOM 834 CZ PHE A 54 -1.597 -9.539 3.211 1.00 22.23 C ATOM 0 H PHE A 54 -4.519 -7.042 -2.384 1.00 74.11 H new ATOM 0 HA PHE A 54 -4.903 -7.032 0.439 1.00 61.54 H new ATOM 0 HB2 PHE A 54 -4.019 -8.970 -0.874 1.00 15.31 H new ATOM 0 HB3 PHE A 54 -2.567 -8.058 -1.237 1.00 15.31 H new ATOM 0 HD1 PHE A 54 -4.597 -9.089 1.763 1.00 42.44 H new ATOM 0 HD2 PHE A 54 -0.691 -8.395 0.180 1.00 0.30 H new ATOM 0 HE1 PHE A 54 -3.601 -9.831 3.874 1.00 12.44 H new ATOM 0 HE2 PHE A 54 0.290 -9.154 2.297 1.00 62.43 H new ATOM 0 HZ PHE A 54 -1.162 -9.871 4.142 1.00 22.23 H new ATOM 844 N VAL A 55 -2.421 -5.127 -0.749 1.00 75.31 N ATOM 845 CA VAL A 55 -1.533 -3.978 -0.414 1.00 63.33 C ATOM 846 C VAL A 55 -2.360 -2.794 0.138 1.00 12.32 C ATOM 847 O VAL A 55 -1.929 -2.101 1.058 1.00 54.05 O ATOM 848 CB VAL A 55 -0.663 -3.492 -1.641 1.00 12.44 C ATOM 849 CG1 VAL A 55 0.260 -2.310 -1.241 1.00 31.10 C ATOM 850 CG2 VAL A 55 0.174 -4.652 -2.246 1.00 40.51 C ATOM 0 H VAL A 55 -2.385 -5.405 -1.730 1.00 75.31 H new ATOM 0 HA VAL A 55 -0.844 -4.337 0.351 1.00 63.33 H new ATOM 0 HB VAL A 55 -1.356 -3.144 -2.407 1.00 12.44 H new ATOM 0 HG11 VAL A 55 0.846 -1.997 -2.105 1.00 31.10 H new ATOM 0 HG12 VAL A 55 -0.348 -1.475 -0.894 1.00 31.10 H new ATOM 0 HG13 VAL A 55 0.931 -2.627 -0.443 1.00 31.10 H new ATOM 0 HG21 VAL A 55 0.759 -4.279 -3.087 1.00 40.51 H new ATOM 0 HG22 VAL A 55 0.846 -5.051 -1.486 1.00 40.51 H new ATOM 0 HG23 VAL A 55 -0.494 -5.441 -2.590 1.00 40.51 H new ATOM 860 N ARG A 56 -3.570 -2.608 -0.424 1.00 61.02 N ATOM 861 CA ARG A 56 -4.539 -1.596 0.047 1.00 23.23 C ATOM 862 C ARG A 56 -5.016 -1.888 1.489 1.00 52.54 C ATOM 863 O ARG A 56 -5.009 -0.994 2.332 1.00 41.31 O ATOM 864 CB ARG A 56 -5.744 -1.511 -0.928 1.00 54.04 C ATOM 865 CG ARG A 56 -6.876 -0.539 -0.497 1.00 50.03 C ATOM 866 CD ARG A 56 -7.661 0.041 -1.693 1.00 23.35 C ATOM 867 NE ARG A 56 -8.184 -0.980 -2.616 1.00 41.35 N ATOM 868 CZ ARG A 56 -8.641 -0.742 -3.835 1.00 14.23 C ATOM 869 NH1 ARG A 56 -8.638 0.461 -4.336 1.00 11.14 N ATOM 870 NH2 ARG A 56 -9.075 -1.718 -4.548 1.00 55.23 N ATOM 0 H ARG A 56 -3.904 -3.155 -1.218 1.00 61.02 H new ATOM 0 HA ARG A 56 -4.033 -0.631 0.064 1.00 23.23 H new ATOM 0 HB2 ARG A 56 -5.377 -1.205 -1.908 1.00 54.04 H new ATOM 0 HB3 ARG A 56 -6.168 -2.508 -1.044 1.00 54.04 H new ATOM 0 HG2 ARG A 56 -7.566 -1.064 0.163 1.00 50.03 H new ATOM 0 HG3 ARG A 56 -6.445 0.280 0.079 1.00 50.03 H new ATOM 0 HD2 ARG A 56 -8.493 0.635 -1.315 1.00 23.35 H new ATOM 0 HD3 ARG A 56 -7.011 0.719 -2.247 1.00 23.35 H new ATOM 0 HE ARG A 56 -8.195 -1.947 -2.290 1.00 41.35 H new ATOM 0 HH11 ARG A 56 -8.279 1.241 -3.786 1.00 11.14 H new ATOM 0 HH12 ARG A 56 -8.995 0.622 -5.278 1.00 11.14 H new ATOM 0 HH21 ARG A 56 -9.066 -2.667 -4.174 1.00 55.23 H new ATOM 0 HH22 ARG A 56 -9.429 -1.544 -5.489 1.00 55.23 H new ATOM 884 N ALA A 57 -5.392 -3.156 1.758 1.00 22.20 N ATOM 885 CA ALA A 57 -5.846 -3.604 3.103 1.00 31.25 C ATOM 886 C ALA A 57 -4.762 -3.367 4.192 1.00 3.11 C ATOM 887 O ALA A 57 -5.066 -2.948 5.315 1.00 12.12 O ATOM 888 CB ALA A 57 -6.244 -5.089 3.043 1.00 72.13 C ATOM 0 H ALA A 57 -5.392 -3.898 1.058 1.00 22.20 H new ATOM 0 HA ALA A 57 -6.713 -3.007 3.385 1.00 31.25 H new ATOM 0 HB1 ALA A 57 -6.576 -5.417 4.028 1.00 72.13 H new ATOM 0 HB2 ALA A 57 -7.053 -5.220 2.325 1.00 72.13 H new ATOM 0 HB3 ALA A 57 -5.385 -5.684 2.734 1.00 72.13 H new ATOM 894 N VAL A 58 -3.498 -3.620 3.821 1.00 24.54 N ATOM 895 CA VAL A 58 -2.326 -3.417 4.702 1.00 23.21 C ATOM 896 C VAL A 58 -1.975 -1.903 4.843 1.00 3.54 C ATOM 897 O VAL A 58 -1.540 -1.445 5.905 1.00 2.45 O ATOM 898 CB VAL A 58 -1.092 -4.235 4.152 1.00 20.34 C ATOM 899 CG1 VAL A 58 0.173 -4.051 5.026 1.00 53.12 C ATOM 900 CG2 VAL A 58 -1.451 -5.739 4.009 1.00 22.21 C ATOM 0 H VAL A 58 -3.253 -3.974 2.896 1.00 24.54 H new ATOM 0 HA VAL A 58 -2.576 -3.785 5.697 1.00 23.21 H new ATOM 0 HB VAL A 58 -0.857 -3.836 3.165 1.00 20.34 H new ATOM 0 HG11 VAL A 58 0.993 -4.633 4.606 1.00 53.12 H new ATOM 0 HG12 VAL A 58 0.450 -2.997 5.048 1.00 53.12 H new ATOM 0 HG13 VAL A 58 -0.033 -4.393 6.040 1.00 53.12 H new ATOM 0 HG21 VAL A 58 -0.587 -6.285 3.629 1.00 22.21 H new ATOM 0 HG22 VAL A 58 -1.734 -6.140 4.982 1.00 22.21 H new ATOM 0 HG23 VAL A 58 -2.284 -5.850 3.315 1.00 22.21 H new ATOM 910 N ALA A 59 -2.182 -1.137 3.753 1.00 0.44 N ATOM 911 CA ALA A 59 -1.964 0.336 3.734 1.00 20.42 C ATOM 912 C ALA A 59 -3.046 1.119 4.517 1.00 15.22 C ATOM 913 O ALA A 59 -2.827 2.271 4.885 1.00 22.54 O ATOM 914 CB ALA A 59 -1.875 0.839 2.284 1.00 25.31 C ATOM 0 H ALA A 59 -2.504 -1.514 2.861 1.00 0.44 H new ATOM 0 HA ALA A 59 -1.019 0.523 4.244 1.00 20.42 H new ATOM 0 HB1 ALA A 59 -1.716 1.917 2.282 1.00 25.31 H new ATOM 0 HB2 ALA A 59 -1.043 0.348 1.779 1.00 25.31 H new ATOM 0 HB3 ALA A 59 -2.803 0.609 1.761 1.00 25.31 H new ATOM 920 N LEU A 60 -4.212 0.490 4.749 1.00 4.02 N ATOM 921 CA LEU A 60 -5.317 1.074 5.554 1.00 42.55 C ATOM 922 C LEU A 60 -5.163 0.792 7.076 1.00 25.42 C ATOM 923 O LEU A 60 -5.978 1.285 7.868 1.00 73.24 O ATOM 924 CB LEU A 60 -6.682 0.538 5.041 1.00 72.43 C ATOM 925 CG LEU A 60 -7.112 1.001 3.614 1.00 32.45 C ATOM 926 CD1 LEU A 60 -8.409 0.288 3.161 1.00 4.34 C ATOM 927 CD2 LEU A 60 -7.250 2.541 3.549 1.00 23.14 C ATOM 0 H LEU A 60 -4.422 -0.440 4.386 1.00 4.02 H new ATOM 0 HA LEU A 60 -5.274 2.156 5.428 1.00 42.55 H new ATOM 0 HB2 LEU A 60 -6.648 -0.551 5.052 1.00 72.43 H new ATOM 0 HB3 LEU A 60 -7.456 0.840 5.747 1.00 72.43 H new ATOM 0 HG LEU A 60 -6.326 0.714 2.915 1.00 32.45 H new ATOM 0 HD11 LEU A 60 -8.683 0.631 2.163 1.00 4.34 H new ATOM 0 HD12 LEU A 60 -8.244 -0.789 3.142 1.00 4.34 H new ATOM 0 HD13 LEU A 60 -9.214 0.519 3.858 1.00 4.34 H new ATOM 0 HD21 LEU A 60 -7.550 2.837 2.544 1.00 23.14 H new ATOM 0 HD22 LEU A 60 -8.004 2.869 4.265 1.00 23.14 H new ATOM 0 HD23 LEU A 60 -6.293 3.003 3.792 1.00 23.14 H new ATOM 939 N SER A 61 -4.128 -0.007 7.462 1.00 73.24 N ATOM 940 CA SER A 61 -3.893 -0.433 8.880 1.00 1.33 C ATOM 941 C SER A 61 -3.917 0.742 9.887 1.00 10.53 C ATOM 942 O SER A 61 -3.275 1.779 9.670 1.00 3.24 O ATOM 943 CB SER A 61 -2.534 -1.175 9.041 1.00 44.44 C ATOM 944 OG SER A 61 -2.518 -2.430 8.388 1.00 32.20 O ATOM 0 H SER A 61 -3.436 -0.373 6.808 1.00 73.24 H new ATOM 0 HA SER A 61 -4.722 -1.103 9.107 1.00 1.33 H new ATOM 0 HB2 SER A 61 -1.734 -0.551 8.641 1.00 44.44 H new ATOM 0 HB3 SER A 61 -2.326 -1.319 10.101 1.00 44.44 H new ATOM 0 HG SER A 61 -2.213 -2.314 7.464 1.00 32.20 H new ATOM 950 N GLU A 62 -4.630 0.527 11.006 1.00 51.21 N ATOM 951 CA GLU A 62 -4.685 1.471 12.142 1.00 70.35 C ATOM 952 C GLU A 62 -3.295 1.594 12.804 1.00 51.43 C ATOM 953 O GLU A 62 -2.931 2.654 13.303 1.00 5.32 O ATOM 954 CB GLU A 62 -5.722 0.982 13.196 1.00 5.53 C ATOM 955 CG GLU A 62 -7.110 0.597 12.633 1.00 32.05 C ATOM 956 CD GLU A 62 -7.799 1.740 11.877 1.00 53.22 C ATOM 957 OE1 GLU A 62 -8.354 2.652 12.530 1.00 14.52 O ATOM 958 OE2 GLU A 62 -7.770 1.756 10.627 1.00 51.10 O ATOM 0 H GLU A 62 -5.190 -0.313 11.151 1.00 51.21 H new ATOM 0 HA GLU A 62 -4.989 2.448 11.765 1.00 70.35 H new ATOM 0 HB2 GLU A 62 -5.307 0.118 13.715 1.00 5.53 H new ATOM 0 HB3 GLU A 62 -5.856 1.767 13.940 1.00 5.53 H new ATOM 0 HG2 GLU A 62 -6.999 -0.256 11.964 1.00 32.05 H new ATOM 0 HG3 GLU A 62 -7.751 0.276 13.454 1.00 32.05 H new ATOM 965 N LEU A 63 -2.531 0.479 12.781 1.00 24.44 N ATOM 966 CA LEU A 63 -1.169 0.401 13.372 1.00 23.03 C ATOM 967 C LEU A 63 -0.114 1.153 12.519 1.00 34.24 C ATOM 968 O LEU A 63 0.843 1.713 13.064 1.00 32.54 O ATOM 969 CB LEU A 63 -0.751 -1.088 13.610 1.00 51.02 C ATOM 970 CG LEU A 63 -1.368 -1.768 14.886 1.00 60.05 C ATOM 971 CD1 LEU A 63 -2.884 -2.022 14.743 1.00 2.24 C ATOM 972 CD2 LEU A 63 -0.611 -3.058 15.264 1.00 32.42 C ATOM 0 H LEU A 63 -2.838 -0.394 12.353 1.00 24.44 H new ATOM 0 HA LEU A 63 -1.207 0.904 14.338 1.00 23.03 H new ATOM 0 HB2 LEU A 63 -1.036 -1.672 12.735 1.00 51.02 H new ATOM 0 HB3 LEU A 63 0.335 -1.135 13.684 1.00 51.02 H new ATOM 0 HG LEU A 63 -1.245 -1.061 15.706 1.00 60.05 H new ATOM 0 HD11 LEU A 63 -3.261 -2.493 15.651 1.00 2.24 H new ATOM 0 HD12 LEU A 63 -3.398 -1.074 14.585 1.00 2.24 H new ATOM 0 HD13 LEU A 63 -3.064 -2.679 13.892 1.00 2.24 H new ATOM 0 HD21 LEU A 63 -1.066 -3.500 16.150 1.00 32.42 H new ATOM 0 HD22 LEU A 63 -0.664 -3.766 14.437 1.00 32.42 H new ATOM 0 HD23 LEU A 63 0.432 -2.820 15.472 1.00 32.42 H new ATOM 984 N TYR A 64 -0.302 1.164 11.186 1.00 73.34 N ATOM 985 CA TYR A 64 0.555 1.935 10.249 1.00 33.12 C ATOM 986 C TYR A 64 0.317 3.459 10.430 1.00 65.53 C ATOM 987 O TYR A 64 1.264 4.250 10.521 1.00 15.15 O ATOM 988 CB TYR A 64 0.256 1.494 8.782 1.00 64.25 C ATOM 989 CG TYR A 64 0.915 2.362 7.689 1.00 42.23 C ATOM 990 CD1 TYR A 64 2.301 2.400 7.544 1.00 4.52 C ATOM 991 CD2 TYR A 64 0.153 3.159 6.821 1.00 72.40 C ATOM 992 CE1 TYR A 64 2.901 3.192 6.585 1.00 4.13 C ATOM 993 CE2 TYR A 64 0.753 3.951 5.860 1.00 3.14 C ATOM 994 CZ TYR A 64 2.128 3.965 5.745 1.00 2.05 C ATOM 995 OH TYR A 64 2.733 4.755 4.786 1.00 22.23 O ATOM 0 H TYR A 64 -1.047 0.643 10.724 1.00 73.34 H new ATOM 0 HA TYR A 64 1.603 1.731 10.468 1.00 33.12 H new ATOM 0 HB2 TYR A 64 0.587 0.463 8.654 1.00 64.25 H new ATOM 0 HB3 TYR A 64 -0.823 1.503 8.629 1.00 64.25 H new ATOM 0 HD1 TYR A 64 2.918 1.798 8.195 1.00 4.52 H new ATOM 0 HD2 TYR A 64 -0.924 3.153 6.905 1.00 72.40 H new ATOM 0 HE1 TYR A 64 3.977 3.206 6.493 1.00 4.13 H new ATOM 0 HE2 TYR A 64 0.148 4.557 5.202 1.00 3.14 H new ATOM 0 HH TYR A 64 3.640 4.425 4.615 1.00 22.23 H new ATOM 1005 N ARG A 65 -0.969 3.837 10.497 1.00 32.45 N ATOM 1006 CA ARG A 65 -1.409 5.242 10.682 1.00 41.33 C ATOM 1007 C ARG A 65 -0.976 5.793 12.069 1.00 71.13 C ATOM 1008 O ARG A 65 -0.511 6.929 12.184 1.00 24.54 O ATOM 1009 CB ARG A 65 -2.951 5.316 10.532 1.00 2.21 C ATOM 1010 CG ARG A 65 -3.534 6.746 10.397 1.00 2.51 C ATOM 1011 CD ARG A 65 -5.078 6.748 10.394 1.00 64.30 C ATOM 1012 NE ARG A 65 -5.622 5.736 9.462 1.00 54.44 N ATOM 1013 CZ ARG A 65 -6.509 4.805 9.771 1.00 44.25 C ATOM 1014 NH1 ARG A 65 -7.080 4.785 10.935 1.00 33.10 N ATOM 1015 NH2 ARG A 65 -6.827 3.901 8.905 1.00 72.35 N ATOM 0 H ARG A 65 -1.743 3.177 10.425 1.00 32.45 H new ATOM 0 HA ARG A 65 -0.934 5.860 9.920 1.00 41.33 H new ATOM 0 HB2 ARG A 65 -3.243 4.738 9.655 1.00 2.21 H new ATOM 0 HB3 ARG A 65 -3.408 4.835 11.397 1.00 2.21 H new ATOM 0 HG2 ARG A 65 -3.173 7.363 11.220 1.00 2.51 H new ATOM 0 HG3 ARG A 65 -3.170 7.200 9.475 1.00 2.51 H new ATOM 0 HD2 ARG A 65 -5.445 6.550 11.401 1.00 64.30 H new ATOM 0 HD3 ARG A 65 -5.441 7.736 10.111 1.00 64.30 H new ATOM 0 HE ARG A 65 -5.284 5.758 8.500 1.00 54.44 H new ATOM 0 HH11 ARG A 65 -6.847 5.495 11.629 1.00 33.10 H new ATOM 0 HH12 ARG A 65 -7.762 4.059 11.156 1.00 33.10 H new ATOM 0 HH21 ARG A 65 -6.394 3.905 7.982 1.00 72.35 H new ATOM 0 HH22 ARG A 65 -7.511 3.183 9.145 1.00 72.35 H new ATOM 1029 N GLU A 66 -1.135 4.961 13.115 1.00 1.05 N ATOM 1030 CA GLU A 66 -0.739 5.306 14.504 1.00 41.43 C ATOM 1031 C GLU A 66 0.774 5.597 14.619 1.00 34.02 C ATOM 1032 O GLU A 66 1.185 6.565 15.255 1.00 42.44 O ATOM 1033 CB GLU A 66 -1.132 4.149 15.468 1.00 31.24 C ATOM 1034 CG GLU A 66 -0.773 4.363 16.959 1.00 44.32 C ATOM 1035 CD GLU A 66 -1.377 5.640 17.575 1.00 40.34 C ATOM 1036 OE1 GLU A 66 -2.622 5.773 17.595 1.00 73.21 O ATOM 1037 OE2 GLU A 66 -0.609 6.518 18.039 1.00 33.31 O ATOM 0 H GLU A 66 -1.541 4.029 13.027 1.00 1.05 H new ATOM 0 HA GLU A 66 -1.271 6.216 14.783 1.00 41.43 H new ATOM 0 HB2 GLU A 66 -2.207 3.988 15.392 1.00 31.24 H new ATOM 0 HB3 GLU A 66 -0.648 3.235 15.125 1.00 31.24 H new ATOM 0 HG2 GLU A 66 -1.114 3.500 17.531 1.00 44.32 H new ATOM 0 HG3 GLU A 66 0.312 4.403 17.058 1.00 44.32 H new ATOM 1044 N LYS A 67 1.593 4.754 13.985 1.00 62.13 N ATOM 1045 CA LYS A 67 3.062 4.837 14.098 1.00 1.04 C ATOM 1046 C LYS A 67 3.659 5.966 13.217 1.00 74.43 C ATOM 1047 O LYS A 67 4.422 6.794 13.698 1.00 30.53 O ATOM 1048 CB LYS A 67 3.682 3.463 13.733 1.00 22.34 C ATOM 1049 CG LYS A 67 5.225 3.398 13.826 1.00 14.23 C ATOM 1050 CD LYS A 67 5.782 1.966 13.632 1.00 70.13 C ATOM 1051 CE LYS A 67 5.342 1.000 14.749 1.00 63.13 C ATOM 1052 NZ LYS A 67 5.970 -0.336 14.608 1.00 64.15 N ATOM 0 H LYS A 67 1.266 3.999 13.382 1.00 62.13 H new ATOM 0 HA LYS A 67 3.309 5.088 15.129 1.00 1.04 H new ATOM 0 HB2 LYS A 67 3.261 2.704 14.392 1.00 22.34 H new ATOM 0 HB3 LYS A 67 3.383 3.204 12.717 1.00 22.34 H new ATOM 0 HG2 LYS A 67 5.657 4.056 13.072 1.00 14.23 H new ATOM 0 HG3 LYS A 67 5.541 3.777 14.798 1.00 14.23 H new ATOM 0 HD2 LYS A 67 5.448 1.578 12.670 1.00 70.13 H new ATOM 0 HD3 LYS A 67 6.871 2.005 13.599 1.00 70.13 H new ATOM 0 HE2 LYS A 67 5.604 1.423 15.719 1.00 63.13 H new ATOM 0 HE3 LYS A 67 4.257 0.894 14.730 1.00 63.13 H new ATOM 0 HZ1 LYS A 67 5.647 -0.954 15.379 1.00 64.15 H new ATOM 0 HZ2 LYS A 67 5.699 -0.752 13.694 1.00 64.15 H new ATOM 0 HZ3 LYS A 67 7.005 -0.240 14.652 1.00 64.15 H new ATOM 1066 N PHE A 68 3.282 6.011 11.933 1.00 41.41 N ATOM 1067 CA PHE A 68 3.955 6.876 10.926 1.00 33.44 C ATOM 1068 C PHE A 68 3.310 8.277 10.760 1.00 40.41 C ATOM 1069 O PHE A 68 3.987 9.209 10.315 1.00 3.10 O ATOM 1070 CB PHE A 68 4.038 6.119 9.575 1.00 35.21 C ATOM 1071 CG PHE A 68 4.948 4.883 9.642 1.00 51.33 C ATOM 1072 CD1 PHE A 68 6.327 4.999 9.452 1.00 45.34 C ATOM 1073 CD2 PHE A 68 4.434 3.619 9.928 1.00 4.43 C ATOM 1074 CE1 PHE A 68 7.152 3.892 9.541 1.00 1.33 C ATOM 1075 CE2 PHE A 68 5.258 2.517 10.019 1.00 42.21 C ATOM 1076 CZ PHE A 68 6.617 2.652 9.827 1.00 10.53 C ATOM 0 H PHE A 68 2.512 5.460 11.555 1.00 41.41 H new ATOM 0 HA PHE A 68 4.959 7.081 11.298 1.00 33.44 H new ATOM 0 HB2 PHE A 68 3.037 5.812 9.273 1.00 35.21 H new ATOM 0 HB3 PHE A 68 4.409 6.797 8.806 1.00 35.21 H new ATOM 0 HD1 PHE A 68 6.755 5.966 9.233 1.00 45.34 H new ATOM 0 HD2 PHE A 68 3.371 3.501 10.081 1.00 4.43 H new ATOM 0 HE1 PHE A 68 8.216 3.998 9.387 1.00 1.33 H new ATOM 0 HE2 PHE A 68 4.839 1.547 10.241 1.00 42.21 H new ATOM 0 HZ PHE A 68 7.262 1.789 9.900 1.00 10.53 H new ATOM 1086 N PHE A 69 2.011 8.431 11.087 1.00 73.14 N ATOM 1087 CA PHE A 69 1.331 9.761 11.042 1.00 3.11 C ATOM 1088 C PHE A 69 1.469 10.535 12.385 1.00 40.02 C ATOM 1089 O PHE A 69 1.486 11.770 12.393 1.00 34.51 O ATOM 1090 CB PHE A 69 -0.164 9.600 10.641 1.00 4.12 C ATOM 1091 CG PHE A 69 -0.948 10.918 10.563 1.00 20.44 C ATOM 1092 CD1 PHE A 69 -0.635 11.876 9.598 1.00 40.21 C ATOM 1093 CD2 PHE A 69 -1.975 11.209 11.465 1.00 70.04 C ATOM 1094 CE1 PHE A 69 -1.322 13.075 9.539 1.00 23.11 C ATOM 1095 CE2 PHE A 69 -2.661 12.407 11.401 1.00 1.15 C ATOM 1096 CZ PHE A 69 -2.333 13.342 10.440 1.00 24.33 C ATOM 0 H PHE A 69 1.408 7.664 11.384 1.00 73.14 H new ATOM 0 HA PHE A 69 1.832 10.357 10.279 1.00 3.11 H new ATOM 0 HB2 PHE A 69 -0.216 9.103 9.672 1.00 4.12 H new ATOM 0 HB3 PHE A 69 -0.652 8.944 11.362 1.00 4.12 H new ATOM 0 HD1 PHE A 69 0.154 11.679 8.888 1.00 40.21 H new ATOM 0 HD2 PHE A 69 -2.237 10.486 12.224 1.00 70.04 H new ATOM 0 HE1 PHE A 69 -1.066 13.805 8.785 1.00 23.11 H new ATOM 0 HE2 PHE A 69 -3.455 12.612 12.104 1.00 1.15 H new ATOM 0 HZ PHE A 69 -2.866 14.280 10.393 1.00 24.33 H new ATOM 1106 N HIS A 70 1.544 9.815 13.522 1.00 24.13 N ATOM 1107 CA HIS A 70 1.591 10.452 14.871 1.00 53.24 C ATOM 1108 C HIS A 70 3.041 10.765 15.322 1.00 5.55 C ATOM 1109 O HIS A 70 3.273 11.758 16.019 1.00 21.01 O ATOM 1110 CB HIS A 70 0.866 9.569 15.920 1.00 22.33 C ATOM 1111 CG HIS A 70 -0.614 9.366 15.666 1.00 10.04 C ATOM 1112 ND1 HIS A 70 -1.481 8.915 16.633 1.00 43.23 N ATOM 1113 CD2 HIS A 70 -1.378 9.545 14.556 1.00 52.11 C ATOM 1114 CE1 HIS A 70 -2.698 8.830 16.139 1.00 64.34 C ATOM 1115 NE2 HIS A 70 -2.663 9.209 14.882 1.00 51.41 N ATOM 0 H HIS A 70 1.574 8.796 13.543 1.00 24.13 H new ATOM 0 HA HIS A 70 1.067 11.405 14.795 1.00 53.24 H new ATOM 0 HB2 HIS A 70 1.352 8.594 15.951 1.00 22.33 H new ATOM 0 HB3 HIS A 70 0.993 10.020 16.904 1.00 22.33 H new ATOM 0 HD1 HIS A 70 -1.220 8.681 17.591 1.00 43.23 H new ATOM 0 HD2 HIS A 70 -1.033 9.890 13.592 1.00 52.11 H new ATOM 0 HE1 HIS A 70 -3.576 8.504 16.676 1.00 64.34 H new ATOM 1124 N ASN A 71 4.014 9.921 14.927 1.00 54.03 N ATOM 1125 CA ASN A 71 5.452 10.141 15.253 1.00 3.35 C ATOM 1126 C ASN A 71 6.143 11.088 14.234 1.00 1.44 C ATOM 1127 O ASN A 71 7.301 11.468 14.432 1.00 22.24 O ATOM 1128 CB ASN A 71 6.210 8.788 15.314 1.00 30.35 C ATOM 1129 CG ASN A 71 5.698 7.837 16.403 1.00 52.14 C ATOM 1130 OD1 ASN A 71 4.525 7.842 16.767 1.00 32.21 O ATOM 1131 ND2 ASN A 71 6.575 7.005 16.925 1.00 52.40 N ATOM 0 H ASN A 71 3.838 9.078 14.381 1.00 54.03 H new ATOM 0 HA ASN A 71 5.489 10.621 16.231 1.00 3.35 H new ATOM 0 HB2 ASN A 71 6.129 8.293 14.346 1.00 30.35 H new ATOM 0 HB3 ASN A 71 7.269 8.983 15.484 1.00 30.35 H new ATOM 0 HD21 ASN A 71 6.285 6.346 17.648 1.00 52.40 H new ATOM 0 HD22 ASN A 71 7.544 7.019 16.607 1.00 52.40 H new ATOM 1138 N ASN A 72 5.426 11.462 13.152 1.00 13.23 N ATOM 1139 CA ASN A 72 5.958 12.322 12.062 1.00 62.33 C ATOM 1140 C ASN A 72 4.925 13.391 11.654 1.00 15.43 C ATOM 1141 O ASN A 72 3.720 13.173 11.771 1.00 73.52 O ATOM 1142 CB ASN A 72 6.296 11.470 10.809 1.00 35.22 C ATOM 1143 CG ASN A 72 7.408 10.448 11.024 1.00 55.33 C ATOM 1144 OD1 ASN A 72 8.379 10.689 11.738 1.00 24.22 O ATOM 1145 ND2 ASN A 72 7.262 9.290 10.421 1.00 71.32 N ATOM 0 H ASN A 72 4.458 11.177 13.006 1.00 13.23 H new ATOM 0 HA ASN A 72 6.860 12.805 12.439 1.00 62.33 H new ATOM 0 HB2 ASN A 72 5.396 10.947 10.486 1.00 35.22 H new ATOM 0 HB3 ASN A 72 6.585 12.138 9.997 1.00 35.22 H new ATOM 0 HD21 ASN A 72 7.966 8.561 10.539 1.00 71.32 H new ATOM 0 HD22 ASN A 72 6.445 9.120 9.835 1.00 71.32 H new ATOM 1152 N ALA A 73 5.416 14.527 11.133 1.00 62.40 N ATOM 1153 CA ALA A 73 4.567 15.580 10.530 1.00 53.53 C ATOM 1154 C ALA A 73 3.947 15.067 9.208 1.00 40.12 C ATOM 1155 O ALA A 73 4.599 14.311 8.486 1.00 31.25 O ATOM 1156 CB ALA A 73 5.383 16.860 10.289 1.00 74.22 C ATOM 0 H ALA A 73 6.412 14.746 11.116 1.00 62.40 H new ATOM 0 HA ALA A 73 3.760 15.820 11.222 1.00 53.53 H new ATOM 0 HB1 ALA A 73 4.742 17.622 9.846 1.00 74.22 H new ATOM 0 HB2 ALA A 73 5.777 17.224 11.238 1.00 74.22 H new ATOM 0 HB3 ALA A 73 6.210 16.643 9.613 1.00 74.22 H new ATOM 1162 N HIS A 74 2.678 15.448 8.925 1.00 4.41 N ATOM 1163 CA HIS A 74 1.915 14.968 7.735 1.00 5.25 C ATOM 1164 C HIS A 74 2.724 15.052 6.397 1.00 11.00 C ATOM 1165 O HIS A 74 2.568 14.201 5.530 1.00 70.00 O ATOM 1166 CB HIS A 74 0.584 15.752 7.611 1.00 71.43 C ATOM 1167 CG HIS A 74 -0.345 15.269 6.509 1.00 30.33 C ATOM 1168 ND1 HIS A 74 -1.096 16.146 5.767 1.00 62.21 N ATOM 1169 CD2 HIS A 74 -0.619 14.003 6.083 1.00 12.02 C ATOM 1170 CE1 HIS A 74 -1.795 15.411 4.931 1.00 43.44 C ATOM 1171 NE2 HIS A 74 -1.541 14.108 5.079 1.00 62.34 N ATOM 0 H HIS A 74 2.151 16.095 9.511 1.00 4.41 H new ATOM 0 HA HIS A 74 1.712 13.910 7.900 1.00 5.25 H new ATOM 0 HB2 HIS A 74 0.056 15.694 8.563 1.00 71.43 H new ATOM 0 HB3 HIS A 74 0.814 16.803 7.437 1.00 71.43 H new ATOM 0 HD2 HIS A 74 -0.189 13.090 6.466 1.00 12.02 H new ATOM 0 HE1 HIS A 74 -2.492 15.813 4.210 1.00 43.44 H new ATOM 0 HE2 HIS A 74 -1.954 13.342 4.547 1.00 62.34 H new ATOM 1179 N ASN A 75 3.592 16.070 6.264 1.00 52.23 N ATOM 1180 CA ASN A 75 4.519 16.217 5.104 1.00 61.33 C ATOM 1181 C ASN A 75 5.490 15.002 4.966 1.00 72.41 C ATOM 1182 O ASN A 75 5.679 14.466 3.865 1.00 13.14 O ATOM 1183 CB ASN A 75 5.314 17.527 5.258 1.00 12.54 C ATOM 1184 CG ASN A 75 4.410 18.754 5.266 1.00 50.23 C ATOM 1185 OD1 ASN A 75 3.906 19.165 6.308 1.00 34.21 O ATOM 1186 ND2 ASN A 75 4.195 19.352 4.113 1.00 35.12 N ATOM 0 H ASN A 75 3.679 16.819 6.951 1.00 52.23 H new ATOM 0 HA ASN A 75 3.922 16.247 4.193 1.00 61.33 H new ATOM 0 HB2 ASN A 75 5.887 17.495 6.184 1.00 12.54 H new ATOM 0 HB3 ASN A 75 6.031 17.612 4.442 1.00 12.54 H new ATOM 0 HD21 ASN A 75 3.597 20.178 4.070 1.00 35.12 H new ATOM 0 HD22 ASN A 75 4.626 18.990 3.262 1.00 35.12 H new ATOM 1193 N ARG A 76 6.088 14.579 6.103 1.00 23.44 N ATOM 1194 CA ARG A 76 6.901 13.333 6.187 1.00 75.44 C ATOM 1195 C ARG A 76 6.042 12.080 5.917 1.00 74.44 C ATOM 1196 O ARG A 76 6.512 11.127 5.298 1.00 25.44 O ATOM 1197 CB ARG A 76 7.580 13.194 7.584 1.00 73.43 C ATOM 1198 CG ARG A 76 8.813 14.089 7.818 1.00 61.42 C ATOM 1199 CD ARG A 76 10.002 13.694 6.917 1.00 13.01 C ATOM 1200 NE ARG A 76 11.219 14.474 7.214 1.00 4.13 N ATOM 1201 CZ ARG A 76 12.325 14.469 6.498 1.00 50.22 C ATOM 1202 NH1 ARG A 76 12.410 13.819 5.377 1.00 40.31 N ATOM 1203 NH2 ARG A 76 13.338 15.161 6.902 1.00 14.15 N ATOM 0 H ARG A 76 6.024 15.085 6.986 1.00 23.44 H new ATOM 0 HA ARG A 76 7.671 13.408 5.419 1.00 75.44 H new ATOM 0 HB2 ARG A 76 6.840 13.419 8.352 1.00 73.43 H new ATOM 0 HB3 ARG A 76 7.877 12.154 7.722 1.00 73.43 H new ATOM 0 HG2 ARG A 76 8.546 15.129 7.628 1.00 61.42 H new ATOM 0 HG3 ARG A 76 9.114 14.023 8.863 1.00 61.42 H new ATOM 0 HD2 ARG A 76 10.214 12.633 7.045 1.00 13.01 H new ATOM 0 HD3 ARG A 76 9.727 13.840 5.873 1.00 13.01 H new ATOM 0 HE ARG A 76 11.203 15.067 8.044 1.00 4.13 H new ATOM 0 HH11 ARG A 76 11.607 13.294 5.030 1.00 40.31 H new ATOM 0 HH12 ARG A 76 13.279 13.833 4.844 1.00 40.31 H new ATOM 0 HH21 ARG A 76 13.275 15.701 7.765 1.00 14.15 H new ATOM 0 HH22 ARG A 76 14.201 15.167 6.358 1.00 14.15 H new ATOM 1217 N PHE A 77 4.783 12.088 6.403 1.00 51.44 N ATOM 1218 CA PHE A 77 3.843 10.960 6.211 1.00 21.43 C ATOM 1219 C PHE A 77 3.468 10.776 4.715 1.00 24.43 C ATOM 1220 O PHE A 77 3.217 9.655 4.275 1.00 53.24 O ATOM 1221 CB PHE A 77 2.572 11.158 7.079 1.00 73.22 C ATOM 1222 CG PHE A 77 1.550 10.018 6.967 1.00 53.14 C ATOM 1223 CD1 PHE A 77 1.867 8.737 7.427 1.00 64.22 C ATOM 1224 CD2 PHE A 77 0.291 10.218 6.392 1.00 31.32 C ATOM 1225 CE1 PHE A 77 0.961 7.698 7.319 1.00 50.12 C ATOM 1226 CE2 PHE A 77 -0.612 9.177 6.284 1.00 31.31 C ATOM 1227 CZ PHE A 77 -0.277 7.918 6.749 1.00 45.52 C ATOM 0 H PHE A 77 4.391 12.866 6.934 1.00 51.44 H new ATOM 0 HA PHE A 77 4.346 10.049 6.535 1.00 21.43 H new ATOM 0 HB2 PHE A 77 2.871 11.262 8.122 1.00 73.22 H new ATOM 0 HB3 PHE A 77 2.090 12.092 6.790 1.00 73.22 H new ATOM 0 HD1 PHE A 77 2.834 8.556 7.873 1.00 64.22 H new ATOM 0 HD2 PHE A 77 0.021 11.198 6.028 1.00 31.32 H new ATOM 0 HE1 PHE A 77 1.222 6.714 7.681 1.00 50.12 H new ATOM 0 HE2 PHE A 77 -1.580 9.347 5.836 1.00 31.31 H new ATOM 0 HZ PHE A 77 -0.985 7.106 6.666 1.00 45.52 H new ATOM 1237 N ILE A 78 3.427 11.888 3.952 1.00 73.54 N ATOM 1238 CA ILE A 78 3.201 11.862 2.483 1.00 73.50 C ATOM 1239 C ILE A 78 4.447 11.308 1.738 1.00 62.13 C ATOM 1240 O ILE A 78 4.313 10.615 0.720 1.00 40.24 O ATOM 1241 CB ILE A 78 2.785 13.290 1.948 1.00 65.01 C ATOM 1242 CG1 ILE A 78 1.424 13.722 2.594 1.00 61.13 C ATOM 1243 CG2 ILE A 78 2.701 13.338 0.395 1.00 1.34 C ATOM 1244 CD1 ILE A 78 0.980 15.144 2.289 1.00 10.42 C ATOM 0 H ILE A 78 3.548 12.828 4.330 1.00 73.54 H new ATOM 0 HA ILE A 78 2.372 11.185 2.279 1.00 73.50 H new ATOM 0 HB ILE A 78 3.563 13.995 2.240 1.00 65.01 H new ATOM 0 HG12 ILE A 78 0.647 13.036 2.256 1.00 61.13 H new ATOM 0 HG13 ILE A 78 1.502 13.608 3.675 1.00 61.13 H new ATOM 0 HG21 ILE A 78 2.412 14.340 0.077 1.00 1.34 H new ATOM 0 HG22 ILE A 78 3.673 13.089 -0.030 1.00 1.34 H new ATOM 0 HG23 ILE A 78 1.959 12.619 0.048 1.00 1.34 H new ATOM 0 HD11 ILE A 78 0.028 15.342 2.783 1.00 10.42 H new ATOM 0 HD12 ILE A 78 1.731 15.846 2.653 1.00 10.42 H new ATOM 0 HD13 ILE A 78 0.862 15.265 1.212 1.00 10.42 H new ATOM 1256 N GLU A 79 5.653 11.594 2.266 1.00 52.32 N ATOM 1257 CA GLU A 79 6.909 10.955 1.790 1.00 15.12 C ATOM 1258 C GLU A 79 6.855 9.422 1.947 1.00 40.31 C ATOM 1259 O GLU A 79 7.208 8.671 1.029 1.00 1.43 O ATOM 1260 CB GLU A 79 8.136 11.518 2.544 1.00 2.10 C ATOM 1261 CG GLU A 79 8.447 13.003 2.264 1.00 3.24 C ATOM 1262 CD GLU A 79 9.591 13.563 3.126 1.00 14.42 C ATOM 1263 OE1 GLU A 79 10.651 12.907 3.232 1.00 53.10 O ATOM 1264 OE2 GLU A 79 9.433 14.645 3.713 1.00 62.51 O ATOM 0 H GLU A 79 5.790 12.263 3.023 1.00 52.32 H new ATOM 0 HA GLU A 79 7.009 11.189 0.730 1.00 15.12 H new ATOM 0 HB2 GLU A 79 7.975 11.391 3.615 1.00 2.10 H new ATOM 0 HB3 GLU A 79 9.010 10.923 2.280 1.00 2.10 H new ATOM 0 HG2 GLU A 79 8.705 13.120 1.211 1.00 3.24 H new ATOM 0 HG3 GLU A 79 7.548 13.594 2.439 1.00 3.24 H new ATOM 1271 N LEU A 80 6.391 8.987 3.126 1.00 61.12 N ATOM 1272 CA LEU A 80 6.182 7.566 3.466 1.00 33.34 C ATOM 1273 C LEU A 80 5.091 6.933 2.566 1.00 72.31 C ATOM 1274 O LEU A 80 5.250 5.827 2.063 1.00 62.22 O ATOM 1275 CB LEU A 80 5.801 7.474 4.966 1.00 61.10 C ATOM 1276 CG LEU A 80 6.890 8.005 5.956 1.00 12.55 C ATOM 1277 CD1 LEU A 80 6.353 8.110 7.394 1.00 21.45 C ATOM 1278 CD2 LEU A 80 8.174 7.148 5.888 1.00 22.52 C ATOM 0 H LEU A 80 6.145 9.621 3.886 1.00 61.12 H new ATOM 0 HA LEU A 80 7.099 7.004 3.289 1.00 33.34 H new ATOM 0 HB2 LEU A 80 4.880 8.035 5.127 1.00 61.10 H new ATOM 0 HB3 LEU A 80 5.587 6.433 5.208 1.00 61.10 H new ATOM 0 HG LEU A 80 7.152 9.015 5.641 1.00 12.55 H new ATOM 0 HD11 LEU A 80 7.140 8.482 8.050 1.00 21.45 H new ATOM 0 HD12 LEU A 80 5.506 8.796 7.417 1.00 21.45 H new ATOM 0 HD13 LEU A 80 6.032 7.126 7.735 1.00 21.45 H new ATOM 0 HD21 LEU A 80 8.912 7.542 6.587 1.00 22.52 H new ATOM 0 HD22 LEU A 80 7.938 6.117 6.152 1.00 22.52 H new ATOM 0 HD23 LEU A 80 8.579 7.180 4.877 1.00 22.52 H new ATOM 1290 N ASN A 81 4.013 7.692 2.348 1.00 72.43 N ATOM 1291 CA ASN A 81 2.858 7.315 1.491 1.00 62.41 C ATOM 1292 C ASN A 81 3.286 7.007 0.014 1.00 5.12 C ATOM 1293 O ASN A 81 2.769 6.072 -0.606 1.00 52.31 O ATOM 1294 CB ASN A 81 1.810 8.468 1.618 1.00 60.34 C ATOM 1295 CG ASN A 81 0.739 8.550 0.539 1.00 21.11 C ATOM 1296 OD1 ASN A 81 0.880 9.298 -0.421 1.00 12.11 O ATOM 1297 ND2 ASN A 81 -0.342 7.802 0.685 1.00 73.33 N ATOM 0 H ASN A 81 3.906 8.614 2.770 1.00 72.43 H new ATOM 0 HA ASN A 81 2.411 6.379 1.826 1.00 62.41 H new ATOM 0 HB2 ASN A 81 1.312 8.369 2.583 1.00 60.34 H new ATOM 0 HB3 ASN A 81 2.349 9.415 1.633 1.00 60.34 H new ATOM 0 HD21 ASN A 81 -1.086 7.839 -0.012 1.00 73.33 H new ATOM 0 HD22 ASN A 81 -0.432 7.188 1.495 1.00 73.33 H new ATOM 1304 N PHE A 82 4.237 7.795 -0.527 1.00 21.41 N ATOM 1305 CA PHE A 82 4.863 7.539 -1.857 1.00 2.13 C ATOM 1306 C PHE A 82 5.863 6.332 -1.841 1.00 74.55 C ATOM 1307 O PHE A 82 5.729 5.390 -2.641 1.00 53.43 O ATOM 1308 CB PHE A 82 5.582 8.825 -2.375 1.00 70.42 C ATOM 1309 CG PHE A 82 4.690 9.812 -3.140 1.00 13.23 C ATOM 1310 CD1 PHE A 82 4.510 9.676 -4.516 1.00 24.13 C ATOM 1311 CD2 PHE A 82 4.062 10.879 -2.501 1.00 71.43 C ATOM 1312 CE1 PHE A 82 3.737 10.573 -5.225 1.00 43.40 C ATOM 1313 CE2 PHE A 82 3.289 11.776 -3.212 1.00 3.30 C ATOM 1314 CZ PHE A 82 3.126 11.619 -4.575 1.00 54.52 C ATOM 0 H PHE A 82 4.598 8.628 -0.062 1.00 21.41 H new ATOM 0 HA PHE A 82 4.054 7.271 -2.536 1.00 2.13 H new ATOM 0 HB2 PHE A 82 6.022 9.343 -1.523 1.00 70.42 H new ATOM 0 HB3 PHE A 82 6.404 8.525 -3.025 1.00 70.42 H new ATOM 0 HD1 PHE A 82 4.983 8.856 -5.035 1.00 24.13 H new ATOM 0 HD2 PHE A 82 4.181 11.006 -1.435 1.00 71.43 H new ATOM 0 HE1 PHE A 82 3.612 10.453 -6.291 1.00 43.40 H new ATOM 0 HE2 PHE A 82 2.812 12.600 -2.703 1.00 3.30 H new ATOM 0 HZ PHE A 82 2.518 12.318 -5.130 1.00 54.52 H new ATOM 1324 N LYS A 83 6.868 6.369 -0.929 1.00 73.34 N ATOM 1325 CA LYS A 83 8.021 5.414 -0.949 1.00 13.02 C ATOM 1326 C LYS A 83 7.639 3.974 -0.550 1.00 32.34 C ATOM 1327 O LYS A 83 8.319 3.018 -0.935 1.00 70.41 O ATOM 1328 CB LYS A 83 9.185 5.916 -0.049 1.00 45.13 C ATOM 1329 CG LYS A 83 8.885 5.927 1.467 1.00 22.22 C ATOM 1330 CD LYS A 83 10.063 6.459 2.315 1.00 24.45 C ATOM 1331 CE LYS A 83 10.466 7.899 1.941 1.00 2.31 C ATOM 1332 NZ LYS A 83 11.596 8.401 2.762 1.00 12.11 N ATOM 0 H LYS A 83 6.909 7.047 -0.168 1.00 73.34 H new ATOM 0 HA LYS A 83 8.349 5.381 -1.988 1.00 13.02 H new ATOM 0 HB2 LYS A 83 10.058 5.287 -0.226 1.00 45.13 H new ATOM 0 HB3 LYS A 83 9.452 6.927 -0.358 1.00 45.13 H new ATOM 0 HG2 LYS A 83 8.005 6.542 1.653 1.00 22.22 H new ATOM 0 HG3 LYS A 83 8.640 4.915 1.790 1.00 22.22 H new ATOM 0 HD2 LYS A 83 9.790 6.425 3.370 1.00 24.45 H new ATOM 0 HD3 LYS A 83 10.923 5.801 2.187 1.00 24.45 H new ATOM 0 HE2 LYS A 83 10.742 7.934 0.887 1.00 2.31 H new ATOM 0 HE3 LYS A 83 9.607 8.558 2.068 1.00 2.31 H new ATOM 0 HZ1 LYS A 83 11.830 9.372 2.473 1.00 12.11 H new ATOM 0 HZ2 LYS A 83 11.326 8.394 3.766 1.00 12.11 H new ATOM 0 HZ3 LYS A 83 12.425 7.789 2.622 1.00 12.11 H new ATOM 1346 N HIS A 84 6.583 3.830 0.253 1.00 75.43 N ATOM 1347 CA HIS A 84 6.095 2.507 0.677 1.00 33.24 C ATOM 1348 C HIS A 84 5.294 1.809 -0.431 1.00 43.50 C ATOM 1349 O HIS A 84 5.522 0.637 -0.712 1.00 52.12 O ATOM 1350 CB HIS A 84 5.244 2.641 1.959 1.00 51.43 C ATOM 1351 CG HIS A 84 6.028 3.105 3.153 1.00 52.11 C ATOM 1352 ND1 HIS A 84 5.452 3.741 4.221 1.00 71.44 N ATOM 1353 CD2 HIS A 84 7.341 2.993 3.455 1.00 42.14 C ATOM 1354 CE1 HIS A 84 6.363 3.998 5.122 1.00 53.11 C ATOM 1355 NE2 HIS A 84 7.521 3.557 4.687 1.00 44.03 N ATOM 0 H HIS A 84 6.045 4.612 0.626 1.00 75.43 H new ATOM 0 HA HIS A 84 6.965 1.885 0.888 1.00 33.24 H new ATOM 0 HB2 HIS A 84 4.430 3.342 1.774 1.00 51.43 H new ATOM 0 HB3 HIS A 84 4.789 1.677 2.186 1.00 51.43 H new ATOM 0 HD2 HIS A 84 8.105 2.542 2.838 1.00 42.14 H new ATOM 0 HE1 HIS A 84 6.192 4.491 6.067 1.00 53.11 H new ATOM 0 HE2 HIS A 84 8.408 3.624 5.186 1.00 44.03 H new ATOM 1364 N LEU A 85 4.387 2.547 -1.088 1.00 42.54 N ATOM 1365 CA LEU A 85 3.442 1.946 -2.048 1.00 60.53 C ATOM 1366 C LEU A 85 4.065 1.779 -3.461 1.00 64.10 C ATOM 1367 O LEU A 85 3.721 0.842 -4.161 1.00 31.34 O ATOM 1368 CB LEU A 85 2.133 2.793 -2.091 1.00 52.23 C ATOM 1369 CG LEU A 85 1.329 2.865 -0.745 1.00 71.41 C ATOM 1370 CD1 LEU A 85 0.078 3.769 -0.872 1.00 64.53 C ATOM 1371 CD2 LEU A 85 0.956 1.447 -0.247 1.00 4.24 C ATOM 0 H LEU A 85 4.286 3.556 -0.975 1.00 42.54 H new ATOM 0 HA LEU A 85 3.200 0.940 -1.706 1.00 60.53 H new ATOM 0 HB2 LEU A 85 2.388 3.808 -2.396 1.00 52.23 H new ATOM 0 HB3 LEU A 85 1.481 2.383 -2.862 1.00 52.23 H new ATOM 0 HG LEU A 85 1.978 3.322 0.002 1.00 71.41 H new ATOM 0 HD11 LEU A 85 -0.452 3.793 0.080 1.00 64.53 H new ATOM 0 HD12 LEU A 85 0.385 4.779 -1.142 1.00 64.53 H new ATOM 0 HD13 LEU A 85 -0.581 3.372 -1.644 1.00 64.53 H new ATOM 0 HD21 LEU A 85 0.400 1.524 0.687 1.00 4.24 H new ATOM 0 HD22 LEU A 85 0.341 0.949 -0.996 1.00 4.24 H new ATOM 0 HD23 LEU A 85 1.865 0.869 -0.081 1.00 4.24 H new ATOM 1383 N LEU A 86 5.023 2.656 -3.861 1.00 1.15 N ATOM 1384 CA LEU A 86 5.650 2.591 -5.225 1.00 13.33 C ATOM 1385 C LEU A 86 7.196 2.694 -5.173 1.00 11.02 C ATOM 1386 O LEU A 86 7.871 2.368 -6.155 1.00 31.51 O ATOM 1387 CB LEU A 86 5.103 3.713 -6.176 1.00 21.21 C ATOM 1388 CG LEU A 86 3.541 3.832 -6.335 1.00 41.13 C ATOM 1389 CD1 LEU A 86 2.914 4.667 -5.198 1.00 20.13 C ATOM 1390 CD2 LEU A 86 3.137 4.389 -7.724 1.00 52.41 C ATOM 0 H LEU A 86 5.380 3.410 -3.274 1.00 1.15 H new ATOM 0 HA LEU A 86 5.376 1.614 -5.622 1.00 13.33 H new ATOM 0 HB2 LEU A 86 5.479 4.671 -5.817 1.00 21.21 H new ATOM 0 HB3 LEU A 86 5.531 3.553 -7.166 1.00 21.21 H new ATOM 0 HG LEU A 86 3.142 2.820 -6.263 1.00 41.13 H new ATOM 0 HD11 LEU A 86 1.835 4.726 -5.343 1.00 20.13 H new ATOM 0 HD12 LEU A 86 3.126 4.194 -4.239 1.00 20.13 H new ATOM 0 HD13 LEU A 86 3.337 5.671 -5.208 1.00 20.13 H new ATOM 0 HD21 LEU A 86 2.051 4.454 -7.788 1.00 52.41 H new ATOM 0 HD22 LEU A 86 3.568 5.381 -7.858 1.00 52.41 H new ATOM 0 HD23 LEU A 86 3.508 3.724 -8.504 1.00 52.41 H new ATOM 1402 N GLY A 87 7.755 3.150 -4.042 1.00 32.41 N ATOM 1403 CA GLY A 87 9.199 3.462 -3.957 1.00 43.12 C ATOM 1404 C GLY A 87 9.545 4.864 -4.475 1.00 43.41 C ATOM 1405 O GLY A 87 10.711 5.150 -4.764 1.00 53.44 O ATOM 0 H GLY A 87 7.238 3.312 -3.177 1.00 32.41 H new ATOM 0 HA2 GLY A 87 9.523 3.375 -2.920 1.00 43.12 H new ATOM 0 HA3 GLY A 87 9.759 2.722 -4.529 1.00 43.12 H new ATOM 1409 N ARG A 88 8.521 5.743 -4.565 1.00 13.34 N ATOM 1410 CA ARG A 88 8.666 7.136 -5.057 1.00 40.14 C ATOM 1411 C ARG A 88 9.059 8.119 -3.928 1.00 61.44 C ATOM 1412 O ARG A 88 8.790 7.883 -2.753 1.00 12.41 O ATOM 1413 CB ARG A 88 7.339 7.616 -5.713 1.00 0.44 C ATOM 1414 CG ARG A 88 6.952 6.900 -7.022 1.00 45.03 C ATOM 1415 CD ARG A 88 5.644 7.449 -7.641 1.00 63.53 C ATOM 1416 NE ARG A 88 5.707 8.908 -7.878 1.00 63.32 N ATOM 1417 CZ ARG A 88 5.038 9.578 -8.795 1.00 3.43 C ATOM 1418 NH1 ARG A 88 4.261 8.986 -9.647 1.00 32.52 N ATOM 1419 NH2 ARG A 88 5.172 10.863 -8.848 1.00 33.15 N ATOM 0 H ARG A 88 7.565 5.507 -4.298 1.00 13.34 H new ATOM 0 HA ARG A 88 9.469 7.130 -5.794 1.00 40.14 H new ATOM 0 HB2 ARG A 88 6.530 7.485 -4.994 1.00 0.44 H new ATOM 0 HB3 ARG A 88 7.418 8.685 -5.913 1.00 0.44 H new ATOM 0 HG2 ARG A 88 7.763 7.007 -7.743 1.00 45.03 H new ATOM 0 HG3 ARG A 88 6.837 5.834 -6.827 1.00 45.03 H new ATOM 0 HD2 ARG A 88 5.448 6.938 -8.583 1.00 63.53 H new ATOM 0 HD3 ARG A 88 4.809 7.226 -6.977 1.00 63.53 H new ATOM 0 HE ARG A 88 6.328 9.447 -7.274 1.00 63.32 H new ATOM 0 HH11 ARG A 88 4.153 7.972 -9.620 1.00 32.52 H new ATOM 0 HH12 ARG A 88 3.757 9.534 -10.344 1.00 32.52 H new ATOM 0 HH21 ARG A 88 5.787 11.339 -8.188 1.00 33.15 H new ATOM 0 HH22 ARG A 88 4.663 11.400 -9.550 1.00 33.15 H new ATOM 1433 N ALA A 89 9.681 9.241 -4.311 1.00 1.44 N ATOM 1434 CA ALA A 89 10.038 10.340 -3.387 1.00 3.42 C ATOM 1435 C ALA A 89 9.364 11.664 -3.845 1.00 10.53 C ATOM 1436 O ALA A 89 9.575 12.076 -4.997 1.00 15.01 O ATOM 1437 CB ALA A 89 11.570 10.474 -3.309 1.00 23.52 C ATOM 0 H ALA A 89 9.955 9.419 -5.277 1.00 1.44 H new ATOM 0 HA ALA A 89 9.669 10.114 -2.386 1.00 3.42 H new ATOM 0 HB1 ALA A 89 11.830 11.284 -2.628 1.00 23.52 H new ATOM 0 HB2 ALA A 89 11.999 9.541 -2.944 1.00 23.52 H new ATOM 0 HB3 ALA A 89 11.967 10.692 -4.300 1.00 23.52 H new ATOM 1443 N PRO A 90 8.513 12.336 -2.979 1.00 72.32 N ATOM 1444 CA PRO A 90 7.841 13.615 -3.332 1.00 61.45 C ATOM 1445 C PRO A 90 8.862 14.754 -3.545 1.00 11.43 C ATOM 1446 O PRO A 90 9.303 15.412 -2.595 1.00 64.13 O ATOM 1447 CB PRO A 90 6.891 13.916 -2.132 1.00 10.33 C ATOM 1448 CG PRO A 90 6.859 12.648 -1.340 1.00 51.03 C ATOM 1449 CD PRO A 90 8.171 11.930 -1.600 1.00 35.33 C ATOM 0 HA PRO A 90 7.295 13.539 -4.273 1.00 61.45 H new ATOM 0 HB2 PRO A 90 7.263 14.747 -1.533 1.00 10.33 H new ATOM 0 HB3 PRO A 90 5.894 14.192 -2.476 1.00 10.33 H new ATOM 0 HG2 PRO A 90 6.739 12.860 -0.278 1.00 51.03 H new ATOM 0 HG3 PRO A 90 6.014 12.028 -1.639 1.00 51.03 H new ATOM 0 HD2 PRO A 90 8.941 12.230 -0.890 1.00 35.33 H new ATOM 0 HD3 PRO A 90 8.062 10.849 -1.514 1.00 35.33 H new ATOM 1457 N TYR A 91 9.249 14.929 -4.809 1.00 64.44 N ATOM 1458 CA TYR A 91 10.279 15.899 -5.234 1.00 44.33 C ATOM 1459 C TYR A 91 9.784 17.360 -5.140 1.00 5.55 C ATOM 1460 O TYR A 91 10.589 18.275 -4.948 1.00 21.11 O ATOM 1461 CB TYR A 91 10.757 15.553 -6.683 1.00 63.13 C ATOM 1462 CG TYR A 91 9.613 15.250 -7.677 1.00 51.54 C ATOM 1463 CD1 TYR A 91 8.893 16.275 -8.283 1.00 71.41 C ATOM 1464 CD2 TYR A 91 9.238 13.934 -7.972 1.00 31.51 C ATOM 1465 CE1 TYR A 91 7.851 16.009 -9.141 1.00 3.41 C ATOM 1466 CE2 TYR A 91 8.197 13.664 -8.834 1.00 43.42 C ATOM 1467 CZ TYR A 91 7.505 14.702 -9.415 1.00 42.23 C ATOM 1468 OH TYR A 91 6.460 14.426 -10.269 1.00 33.12 O ATOM 0 H TYR A 91 8.854 14.396 -5.584 1.00 64.44 H new ATOM 0 HA TYR A 91 11.123 15.819 -4.549 1.00 44.33 H new ATOM 0 HB2 TYR A 91 11.345 16.387 -7.067 1.00 63.13 H new ATOM 0 HB3 TYR A 91 11.421 14.689 -6.637 1.00 63.13 H new ATOM 0 HD1 TYR A 91 9.158 17.301 -8.075 1.00 71.41 H new ATOM 0 HD2 TYR A 91 9.774 13.115 -7.516 1.00 31.51 H new ATOM 0 HE1 TYR A 91 7.306 16.821 -9.599 1.00 3.41 H new ATOM 0 HE2 TYR A 91 7.925 12.642 -9.053 1.00 43.42 H new ATOM 0 HH TYR A 91 6.353 13.455 -10.351 1.00 33.12 H new ATOM 1478 N ASP A 92 8.459 17.580 -5.256 1.00 74.13 N ATOM 1479 CA ASP A 92 7.891 18.945 -5.278 1.00 4.22 C ATOM 1480 C ASP A 92 6.635 19.047 -4.384 1.00 60.21 C ATOM 1481 O ASP A 92 6.031 18.040 -3.991 1.00 71.32 O ATOM 1482 CB ASP A 92 7.577 19.353 -6.745 1.00 35.44 C ATOM 1483 CG ASP A 92 7.294 20.856 -6.929 1.00 42.44 C ATOM 1484 OD1 ASP A 92 8.257 21.637 -7.054 1.00 24.22 O ATOM 1485 OD2 ASP A 92 6.112 21.260 -6.930 1.00 25.41 O ATOM 0 H ASP A 92 7.765 16.836 -5.335 1.00 74.13 H new ATOM 0 HA ASP A 92 8.626 19.638 -4.870 1.00 4.22 H new ATOM 0 HB2 ASP A 92 8.419 19.072 -7.378 1.00 35.44 H new ATOM 0 HB3 ASP A 92 6.714 18.786 -7.092 1.00 35.44 H new ATOM 1490 N GLN A 93 6.274 20.298 -4.080 1.00 71.44 N ATOM 1491 CA GLN A 93 5.106 20.654 -3.250 1.00 21.54 C ATOM 1492 C GLN A 93 3.761 20.278 -3.927 1.00 13.34 C ATOM 1493 O GLN A 93 2.768 20.083 -3.238 1.00 14.23 O ATOM 1494 CB GLN A 93 5.163 22.167 -2.879 1.00 23.33 C ATOM 1495 CG GLN A 93 4.024 22.647 -1.948 1.00 73.13 C ATOM 1496 CD GLN A 93 4.268 24.027 -1.329 1.00 55.35 C ATOM 1497 OE1 GLN A 93 3.915 25.055 -1.892 1.00 23.20 O ATOM 1498 NE2 GLN A 93 4.884 24.060 -0.159 1.00 13.41 N ATOM 0 H GLN A 93 6.793 21.112 -4.408 1.00 71.44 H new ATOM 0 HA GLN A 93 5.153 20.067 -2.333 1.00 21.54 H new ATOM 0 HB2 GLN A 93 6.119 22.373 -2.398 1.00 23.33 H new ATOM 0 HB3 GLN A 93 5.135 22.754 -3.797 1.00 23.33 H new ATOM 0 HG2 GLN A 93 3.092 22.673 -2.513 1.00 73.13 H new ATOM 0 HG3 GLN A 93 3.891 21.919 -1.148 1.00 73.13 H new ATOM 0 HE21 GLN A 93 5.169 23.191 0.292 1.00 13.41 H new ATOM 0 HE22 GLN A 93 5.074 24.955 0.292 1.00 13.41 H new ATOM 1507 N ALA A 94 3.736 20.187 -5.270 1.00 34.23 N ATOM 1508 CA ALA A 94 2.544 19.738 -6.039 1.00 40.22 C ATOM 1509 C ALA A 94 2.015 18.353 -5.561 1.00 54.23 C ATOM 1510 O ALA A 94 0.811 18.172 -5.365 1.00 2.14 O ATOM 1511 CB ALA A 94 2.879 19.695 -7.540 1.00 72.41 C ATOM 0 H ALA A 94 4.536 20.421 -5.858 1.00 34.23 H new ATOM 0 HA ALA A 94 1.747 20.460 -5.861 1.00 40.22 H new ATOM 0 HB1 ALA A 94 2.003 19.366 -8.099 1.00 72.41 H new ATOM 0 HB2 ALA A 94 3.171 20.690 -7.876 1.00 72.41 H new ATOM 0 HB3 ALA A 94 3.700 18.999 -7.710 1.00 72.41 H new ATOM 1517 N GLU A 95 2.946 17.405 -5.346 1.00 75.33 N ATOM 1518 CA GLU A 95 2.631 16.035 -4.854 1.00 44.01 C ATOM 1519 C GLU A 95 2.099 16.067 -3.401 1.00 15.52 C ATOM 1520 O GLU A 95 1.101 15.411 -3.071 1.00 60.54 O ATOM 1521 CB GLU A 95 3.895 15.119 -4.932 1.00 31.34 C ATOM 1522 CG GLU A 95 4.343 14.723 -6.363 1.00 34.32 C ATOM 1523 CD GLU A 95 4.737 15.912 -7.253 1.00 20.43 C ATOM 1524 OE1 GLU A 95 5.633 16.678 -6.854 1.00 74.55 O ATOM 1525 OE2 GLU A 95 4.149 16.091 -8.342 1.00 14.42 O ATOM 0 H GLU A 95 3.941 17.560 -5.506 1.00 75.33 H new ATOM 0 HA GLU A 95 1.852 15.627 -5.497 1.00 44.01 H new ATOM 0 HB2 GLU A 95 4.723 15.628 -4.438 1.00 31.34 H new ATOM 0 HB3 GLU A 95 3.698 14.208 -4.366 1.00 31.34 H new ATOM 0 HG2 GLU A 95 5.191 14.042 -6.290 1.00 34.32 H new ATOM 0 HG3 GLU A 95 3.534 14.175 -6.846 1.00 34.32 H new ATOM 1532 N VAL A 96 2.778 16.855 -2.553 1.00 31.32 N ATOM 1533 CA VAL A 96 2.460 16.976 -1.114 1.00 21.10 C ATOM 1534 C VAL A 96 1.072 17.641 -0.884 1.00 53.45 C ATOM 1535 O VAL A 96 0.237 17.111 -0.161 1.00 20.44 O ATOM 1536 CB VAL A 96 3.592 17.780 -0.363 1.00 34.14 C ATOM 1537 CG1 VAL A 96 3.300 17.899 1.158 1.00 24.21 C ATOM 1538 CG2 VAL A 96 4.987 17.143 -0.629 1.00 50.44 C ATOM 0 H VAL A 96 3.568 17.431 -2.844 1.00 31.32 H new ATOM 0 HA VAL A 96 2.413 15.968 -0.702 1.00 21.10 H new ATOM 0 HB VAL A 96 3.603 18.794 -0.763 1.00 34.14 H new ATOM 0 HG11 VAL A 96 4.102 18.459 1.640 1.00 24.21 H new ATOM 0 HG12 VAL A 96 2.354 18.419 1.307 1.00 24.21 H new ATOM 0 HG13 VAL A 96 3.239 16.903 1.596 1.00 24.21 H new ATOM 0 HG21 VAL A 96 5.753 17.712 -0.103 1.00 50.44 H new ATOM 0 HG22 VAL A 96 4.991 16.113 -0.272 1.00 50.44 H new ATOM 0 HG23 VAL A 96 5.195 17.157 -1.699 1.00 50.44 H new ATOM 1548 N ALA A 97 0.845 18.784 -1.548 1.00 45.43 N ATOM 1549 CA ALA A 97 -0.405 19.580 -1.448 1.00 55.33 C ATOM 1550 C ALA A 97 -1.636 18.819 -2.004 1.00 71.12 C ATOM 1551 O ALA A 97 -2.742 18.941 -1.460 1.00 50.42 O ATOM 1552 CB ALA A 97 -0.230 20.926 -2.178 1.00 42.44 C ATOM 0 H ALA A 97 1.531 19.195 -2.182 1.00 45.43 H new ATOM 0 HA ALA A 97 -0.595 19.760 -0.390 1.00 55.33 H new ATOM 0 HB1 ALA A 97 -1.151 21.504 -2.100 1.00 42.44 H new ATOM 0 HB2 ALA A 97 0.588 21.483 -1.722 1.00 42.44 H new ATOM 0 HB3 ALA A 97 -0.004 20.743 -3.228 1.00 42.44 H new ATOM 1558 N ALA A 98 -1.428 18.038 -3.087 1.00 22.21 N ATOM 1559 CA ALA A 98 -2.487 17.182 -3.680 1.00 51.22 C ATOM 1560 C ALA A 98 -3.023 16.149 -2.659 1.00 55.43 C ATOM 1561 O ALA A 98 -4.232 16.026 -2.459 1.00 71.01 O ATOM 1562 CB ALA A 98 -1.953 16.460 -4.931 1.00 75.05 C ATOM 0 H ALA A 98 -0.533 17.981 -3.572 1.00 22.21 H new ATOM 0 HA ALA A 98 -3.315 17.831 -3.966 1.00 51.22 H new ATOM 0 HB1 ALA A 98 -2.740 15.836 -5.355 1.00 75.05 H new ATOM 0 HB2 ALA A 98 -1.637 17.197 -5.669 1.00 75.05 H new ATOM 0 HB3 ALA A 98 -1.104 15.835 -4.656 1.00 75.05 H new ATOM 1568 N HIS A 99 -2.096 15.433 -2.001 1.00 44.34 N ATOM 1569 CA HIS A 99 -2.431 14.406 -0.989 1.00 32.21 C ATOM 1570 C HIS A 99 -2.862 15.012 0.359 1.00 2.42 C ATOM 1571 O HIS A 99 -3.608 14.387 1.095 1.00 75.22 O ATOM 1572 CB HIS A 99 -1.269 13.397 -0.835 1.00 53.44 C ATOM 1573 CG HIS A 99 -1.156 12.518 -2.042 1.00 41.43 C ATOM 1574 ND1 HIS A 99 -2.058 11.514 -2.288 1.00 43.23 N ATOM 1575 CD2 HIS A 99 -0.341 12.556 -3.118 1.00 32.44 C ATOM 1576 CE1 HIS A 99 -1.825 10.986 -3.459 1.00 13.51 C ATOM 1577 NE2 HIS A 99 -0.780 11.593 -3.992 1.00 31.50 N ATOM 0 H HIS A 99 -1.094 15.546 -2.152 1.00 44.34 H new ATOM 0 HA HIS A 99 -3.303 13.862 -1.353 1.00 32.21 H new ATOM 0 HB2 HIS A 99 -0.333 13.935 -0.684 1.00 53.44 H new ATOM 0 HB3 HIS A 99 -1.431 12.784 0.052 1.00 53.44 H new ATOM 0 HD2 HIS A 99 0.499 13.220 -3.264 1.00 32.44 H new ATOM 0 HE1 HIS A 99 -2.391 10.187 -3.915 1.00 13.51 H new ATOM 0 HE2 HIS A 99 -0.368 11.382 -4.901 1.00 31.50 H new ATOM 1586 N ALA A 100 -2.378 16.220 0.683 1.00 33.21 N ATOM 1587 CA ALA A 100 -2.874 16.981 1.852 1.00 31.35 C ATOM 1588 C ALA A 100 -4.380 17.311 1.702 1.00 23.21 C ATOM 1589 O ALA A 100 -5.156 17.178 2.652 1.00 63.12 O ATOM 1590 CB ALA A 100 -2.039 18.255 2.059 1.00 33.14 C ATOM 0 H ALA A 100 -1.645 16.695 0.156 1.00 33.21 H new ATOM 0 HA ALA A 100 -2.763 16.358 2.739 1.00 31.35 H new ATOM 0 HB1 ALA A 100 -2.418 18.802 2.922 1.00 33.14 H new ATOM 0 HB2 ALA A 100 -0.997 17.984 2.230 1.00 33.14 H new ATOM 0 HB3 ALA A 100 -2.109 18.884 1.172 1.00 33.14 H new ATOM 1596 N ALA A 101 -4.787 17.696 0.482 1.00 41.22 N ATOM 1597 CA ALA A 101 -6.198 18.000 0.166 1.00 40.05 C ATOM 1598 C ALA A 101 -7.067 16.714 0.080 1.00 51.34 C ATOM 1599 O ALA A 101 -8.198 16.694 0.569 1.00 73.21 O ATOM 1600 CB ALA A 101 -6.283 18.801 -1.143 1.00 14.51 C ATOM 0 H ALA A 101 -4.155 17.806 -0.311 1.00 41.22 H new ATOM 0 HA ALA A 101 -6.599 18.602 0.981 1.00 40.05 H new ATOM 0 HB1 ALA A 101 -7.327 19.021 -1.368 1.00 14.51 H new ATOM 0 HB2 ALA A 101 -5.731 19.735 -1.035 1.00 14.51 H new ATOM 0 HB3 ALA A 101 -5.852 18.217 -1.956 1.00 14.51 H new ATOM 1606 N THR A 102 -6.522 15.639 -0.534 1.00 65.23 N ATOM 1607 CA THR A 102 -7.259 14.354 -0.721 1.00 15.04 C ATOM 1608 C THR A 102 -7.480 13.623 0.625 1.00 53.24 C ATOM 1609 O THR A 102 -8.601 13.224 0.942 1.00 74.33 O ATOM 1610 CB THR A 102 -6.546 13.396 -1.740 1.00 31.43 C ATOM 1611 OG1 THR A 102 -6.329 14.085 -2.983 1.00 53.52 O ATOM 1612 CG2 THR A 102 -7.362 12.114 -2.026 1.00 15.44 C ATOM 0 H THR A 102 -5.574 15.629 -0.911 1.00 65.23 H new ATOM 0 HA THR A 102 -8.230 14.622 -1.138 1.00 15.04 H new ATOM 0 HB THR A 102 -5.601 13.100 -1.285 1.00 31.43 H new ATOM 0 HG1 THR A 102 -5.638 14.770 -2.861 1.00 53.52 H new ATOM 0 HG21 THR A 102 -6.821 11.489 -2.737 1.00 15.44 H new ATOM 0 HG22 THR A 102 -7.510 11.562 -1.098 1.00 15.44 H new ATOM 0 HG23 THR A 102 -8.331 12.385 -2.445 1.00 15.44 H new ATOM 1620 N TYR A 103 -6.401 13.454 1.407 1.00 41.25 N ATOM 1621 CA TYR A 103 -6.456 12.859 2.769 1.00 44.32 C ATOM 1622 C TYR A 103 -7.473 13.566 3.713 1.00 43.31 C ATOM 1623 O TYR A 103 -8.261 12.904 4.388 1.00 64.42 O ATOM 1624 CB TYR A 103 -5.029 12.868 3.387 1.00 25.00 C ATOM 1625 CG TYR A 103 -4.958 12.545 4.893 1.00 31.21 C ATOM 1626 CD1 TYR A 103 -5.167 11.253 5.367 1.00 32.40 C ATOM 1627 CD2 TYR A 103 -4.699 13.546 5.834 1.00 34.04 C ATOM 1628 CE1 TYR A 103 -5.120 10.975 6.719 1.00 55.43 C ATOM 1629 CE2 TYR A 103 -4.645 13.265 7.183 1.00 34.34 C ATOM 1630 CZ TYR A 103 -4.858 11.977 7.619 1.00 22.52 C ATOM 1631 OH TYR A 103 -4.820 11.692 8.968 1.00 62.12 O ATOM 0 H TYR A 103 -5.460 13.724 1.120 1.00 41.25 H new ATOM 0 HA TYR A 103 -6.815 11.835 2.664 1.00 44.32 H new ATOM 0 HB2 TYR A 103 -4.414 12.147 2.849 1.00 25.00 H new ATOM 0 HB3 TYR A 103 -4.586 13.850 3.222 1.00 25.00 H new ATOM 0 HD1 TYR A 103 -5.369 10.456 4.667 1.00 32.40 H new ATOM 0 HD2 TYR A 103 -4.538 14.560 5.498 1.00 34.04 H new ATOM 0 HE1 TYR A 103 -5.290 9.967 7.068 1.00 55.43 H new ATOM 0 HE2 TYR A 103 -4.437 14.051 7.893 1.00 34.34 H new ATOM 0 HH TYR A 103 -4.073 12.172 9.383 1.00 62.12 H new ATOM 1641 N HIS A 104 -7.425 14.907 3.793 1.00 70.32 N ATOM 1642 CA HIS A 104 -8.302 15.670 4.716 1.00 4.12 C ATOM 1643 C HIS A 104 -9.767 15.795 4.198 1.00 52.25 C ATOM 1644 O HIS A 104 -10.716 15.555 4.956 1.00 73.12 O ATOM 1645 CB HIS A 104 -7.691 17.065 5.030 1.00 63.23 C ATOM 1646 CG HIS A 104 -6.474 17.004 5.929 1.00 72.01 C ATOM 1647 ND1 HIS A 104 -6.562 16.704 7.269 1.00 41.41 N ATOM 1648 CD2 HIS A 104 -5.150 17.188 5.684 1.00 44.04 C ATOM 1649 CE1 HIS A 104 -5.362 16.703 7.807 1.00 53.21 C ATOM 1650 NE2 HIS A 104 -4.485 16.990 6.869 1.00 0.41 N ATOM 0 H HIS A 104 -6.796 15.486 3.237 1.00 70.32 H new ATOM 0 HA HIS A 104 -8.356 15.099 5.643 1.00 4.12 H new ATOM 0 HB2 HIS A 104 -7.417 17.552 4.094 1.00 63.23 H new ATOM 0 HB3 HIS A 104 -8.451 17.687 5.503 1.00 63.23 H new ATOM 0 HD2 HIS A 104 -4.704 17.443 4.734 1.00 44.04 H new ATOM 0 HE1 HIS A 104 -5.135 16.501 8.843 1.00 53.21 H new ATOM 0 HE2 HIS A 104 -3.476 17.055 7.001 1.00 0.41 H new ATOM 1659 N SER A 105 -9.944 16.155 2.910 1.00 70.32 N ATOM 1660 CA SER A 105 -11.295 16.451 2.340 1.00 34.43 C ATOM 1661 C SER A 105 -12.042 15.181 1.847 1.00 71.32 C ATOM 1662 O SER A 105 -13.266 15.097 1.975 1.00 21.21 O ATOM 1663 CB SER A 105 -11.189 17.471 1.181 1.00 31.32 C ATOM 1664 OG SER A 105 -12.469 17.816 0.661 1.00 45.43 O ATOM 0 H SER A 105 -9.180 16.250 2.241 1.00 70.32 H new ATOM 0 HA SER A 105 -11.880 16.875 3.156 1.00 34.43 H new ATOM 0 HB2 SER A 105 -10.685 18.371 1.534 1.00 31.32 H new ATOM 0 HB3 SER A 105 -10.574 17.053 0.384 1.00 31.32 H new ATOM 0 HG SER A 105 -12.363 18.463 -0.068 1.00 45.43 H new ATOM 1670 N HIS A 106 -11.312 14.204 1.263 1.00 50.21 N ATOM 1671 CA HIS A 106 -11.921 12.922 0.771 1.00 4.25 C ATOM 1672 C HIS A 106 -11.763 11.759 1.788 1.00 60.32 C ATOM 1673 O HIS A 106 -12.469 10.747 1.692 1.00 32.31 O ATOM 1674 CB HIS A 106 -11.275 12.506 -0.580 1.00 43.41 C ATOM 1675 CG HIS A 106 -11.422 13.509 -1.693 1.00 32.40 C ATOM 1676 ND1 HIS A 106 -12.265 13.322 -2.765 1.00 43.01 N ATOM 1677 CD2 HIS A 106 -10.796 14.688 -1.919 1.00 35.02 C ATOM 1678 CE1 HIS A 106 -12.153 14.331 -3.597 1.00 32.33 C ATOM 1679 NE2 HIS A 106 -11.268 15.175 -3.110 1.00 22.00 N ATOM 0 H HIS A 106 -10.305 14.267 1.116 1.00 50.21 H new ATOM 0 HA HIS A 106 -12.987 13.110 0.640 1.00 4.25 H new ATOM 0 HB2 HIS A 106 -10.213 12.321 -0.416 1.00 43.41 H new ATOM 0 HB3 HIS A 106 -11.717 11.563 -0.901 1.00 43.41 H new ATOM 0 HD2 HIS A 106 -10.062 15.157 -1.280 1.00 35.02 H new ATOM 0 HE1 HIS A 106 -12.695 14.449 -4.524 1.00 32.33 H new ATOM 0 HE2 HIS A 106 -10.980 16.050 -3.548 1.00 22.00 H new ATOM 1688 N GLY A 107 -10.848 11.923 2.759 1.00 35.20 N ATOM 1689 CA GLY A 107 -10.572 10.888 3.776 1.00 64.35 C ATOM 1690 C GLY A 107 -9.326 10.027 3.476 1.00 43.52 C ATOM 1691 O GLY A 107 -8.832 9.998 2.340 1.00 41.02 O ATOM 0 H GLY A 107 -10.283 12.766 2.863 1.00 35.20 H new ATOM 0 HA2 GLY A 107 -10.442 11.371 4.745 1.00 64.35 H new ATOM 0 HA3 GLY A 107 -11.441 10.235 3.859 1.00 64.35 H new ATOM 1695 N TYR A 108 -8.844 9.313 4.519 1.00 21.04 N ATOM 1696 CA TYR A 108 -7.626 8.458 4.466 1.00 10.23 C ATOM 1697 C TYR A 108 -7.734 7.344 3.405 1.00 24.20 C ATOM 1698 O TYR A 108 -6.790 7.115 2.642 1.00 24.02 O ATOM 1699 CB TYR A 108 -7.386 7.834 5.864 1.00 73.03 C ATOM 1700 CG TYR A 108 -6.121 6.959 6.007 1.00 44.02 C ATOM 1701 CD1 TYR A 108 -4.872 7.542 6.218 1.00 23.50 C ATOM 1702 CD2 TYR A 108 -6.176 5.560 5.955 1.00 73.42 C ATOM 1703 CE1 TYR A 108 -3.738 6.782 6.368 1.00 40.32 C ATOM 1704 CE2 TYR A 108 -5.034 4.793 6.110 1.00 30.52 C ATOM 1705 CZ TYR A 108 -3.818 5.413 6.318 1.00 33.33 C ATOM 1706 OH TYR A 108 -2.678 4.663 6.488 1.00 5.43 O ATOM 0 H TYR A 108 -9.293 9.312 5.435 1.00 21.04 H new ATOM 0 HA TYR A 108 -6.785 9.090 4.180 1.00 10.23 H new ATOM 0 HB2 TYR A 108 -7.330 8.640 6.595 1.00 73.03 H new ATOM 0 HB3 TYR A 108 -8.254 7.228 6.123 1.00 73.03 H new ATOM 0 HD1 TYR A 108 -4.794 8.618 6.265 1.00 23.50 H new ATOM 0 HD2 TYR A 108 -7.125 5.072 5.791 1.00 73.42 H new ATOM 0 HE1 TYR A 108 -2.783 7.262 6.525 1.00 40.32 H new ATOM 0 HE2 TYR A 108 -5.094 3.715 6.068 1.00 30.52 H new ATOM 0 HH TYR A 108 -2.736 3.852 5.941 1.00 5.43 H new ATOM 1716 N ASP A 109 -8.892 6.652 3.384 1.00 73.10 N ATOM 1717 CA ASP A 109 -9.151 5.549 2.439 1.00 31.42 C ATOM 1718 C ASP A 109 -9.025 6.017 0.974 1.00 12.14 C ATOM 1719 O ASP A 109 -8.285 5.423 0.204 1.00 10.40 O ATOM 1720 CB ASP A 109 -10.551 4.933 2.697 1.00 70.01 C ATOM 1721 CG ASP A 109 -10.932 3.837 1.683 1.00 74.31 C ATOM 1722 OD1 ASP A 109 -10.374 2.723 1.756 1.00 61.00 O ATOM 1723 OD2 ASP A 109 -11.766 4.096 0.786 1.00 22.24 O ATOM 0 H ASP A 109 -9.668 6.841 4.018 1.00 73.10 H new ATOM 0 HA ASP A 109 -8.394 4.782 2.606 1.00 31.42 H new ATOM 0 HB2 ASP A 109 -10.575 4.512 3.702 1.00 70.01 H new ATOM 0 HB3 ASP A 109 -11.300 5.724 2.664 1.00 70.01 H new ATOM 1728 N ALA A 110 -9.713 7.118 0.636 1.00 44.12 N ATOM 1729 CA ALA A 110 -9.723 7.684 -0.734 1.00 74.25 C ATOM 1730 C ALA A 110 -8.298 8.043 -1.237 1.00 43.15 C ATOM 1731 O ALA A 110 -7.979 7.836 -2.412 1.00 63.24 O ATOM 1732 CB ALA A 110 -10.640 8.915 -0.775 1.00 21.55 C ATOM 0 H ALA A 110 -10.280 7.646 1.300 1.00 44.12 H new ATOM 0 HA ALA A 110 -10.107 6.919 -1.408 1.00 74.25 H new ATOM 0 HB1 ALA A 110 -10.647 9.330 -1.783 1.00 21.55 H new ATOM 0 HB2 ALA A 110 -11.653 8.624 -0.496 1.00 21.55 H new ATOM 0 HB3 ALA A 110 -10.273 9.666 -0.075 1.00 21.55 H new ATOM 1738 N ASP A 111 -7.450 8.552 -0.317 1.00 21.30 N ATOM 1739 CA ASP A 111 -6.038 8.911 -0.607 1.00 33.31 C ATOM 1740 C ASP A 111 -5.197 7.647 -0.955 1.00 32.52 C ATOM 1741 O ASP A 111 -4.437 7.639 -1.932 1.00 63.52 O ATOM 1742 CB ASP A 111 -5.423 9.665 0.608 1.00 72.11 C ATOM 1743 CG ASP A 111 -4.111 10.395 0.258 1.00 30.14 C ATOM 1744 OD1 ASP A 111 -3.019 9.782 0.321 1.00 3.44 O ATOM 1745 OD2 ASP A 111 -4.176 11.588 -0.114 1.00 43.21 O ATOM 0 H ASP A 111 -7.722 8.727 0.650 1.00 21.30 H new ATOM 0 HA ASP A 111 -6.020 9.568 -1.476 1.00 33.31 H new ATOM 0 HB2 ASP A 111 -6.146 10.388 0.985 1.00 72.11 H new ATOM 0 HB3 ASP A 111 -5.234 8.954 1.413 1.00 72.11 H new ATOM 1750 N ILE A 112 -5.369 6.586 -0.143 1.00 21.14 N ATOM 1751 CA ILE A 112 -4.708 5.273 -0.347 1.00 3.45 C ATOM 1752 C ILE A 112 -5.183 4.592 -1.663 1.00 54.04 C ATOM 1753 O ILE A 112 -4.367 4.107 -2.456 1.00 25.40 O ATOM 1754 CB ILE A 112 -4.975 4.318 0.889 1.00 72.24 C ATOM 1755 CG1 ILE A 112 -4.387 4.928 2.211 1.00 13.02 C ATOM 1756 CG2 ILE A 112 -4.442 2.877 0.651 1.00 50.43 C ATOM 1757 CD1 ILE A 112 -2.879 5.138 2.224 1.00 21.13 C ATOM 0 H ILE A 112 -5.973 6.611 0.679 1.00 21.14 H new ATOM 0 HA ILE A 112 -3.636 5.454 -0.431 1.00 3.45 H new ATOM 0 HB ILE A 112 -6.056 4.239 1.000 1.00 72.24 H new ATOM 0 HG12 ILE A 112 -4.871 5.887 2.394 1.00 13.02 H new ATOM 0 HG13 ILE A 112 -4.652 4.274 3.041 1.00 13.02 H new ATOM 0 HG21 ILE A 112 -4.650 2.263 1.527 1.00 50.43 H new ATOM 0 HG22 ILE A 112 -4.936 2.446 -0.220 1.00 50.43 H new ATOM 0 HG23 ILE A 112 -3.366 2.911 0.479 1.00 50.43 H new ATOM 0 HD11 ILE A 112 -2.579 5.563 3.182 1.00 21.13 H new ATOM 0 HD12 ILE A 112 -2.377 4.181 2.078 1.00 21.13 H new ATOM 0 HD13 ILE A 112 -2.600 5.820 1.421 1.00 21.13 H new ATOM 1769 N ASN A 113 -6.512 4.613 -1.898 1.00 32.33 N ATOM 1770 CA ASN A 113 -7.154 3.988 -3.084 1.00 73.44 C ATOM 1771 C ASN A 113 -6.667 4.637 -4.398 1.00 53.43 C ATOM 1772 O ASN A 113 -6.568 3.960 -5.419 1.00 22.32 O ATOM 1773 CB ASN A 113 -8.705 4.080 -2.998 1.00 11.43 C ATOM 1774 CG ASN A 113 -9.362 3.165 -1.951 1.00 42.34 C ATOM 1775 OD1 ASN A 113 -10.460 2.659 -2.164 1.00 32.51 O ATOM 1776 ND2 ASN A 113 -8.737 2.967 -0.804 1.00 53.32 N ATOM 0 H ASN A 113 -7.177 5.065 -1.270 1.00 32.33 H new ATOM 0 HA ASN A 113 -6.863 2.938 -3.087 1.00 73.44 H new ATOM 0 HB2 ASN A 113 -8.979 5.112 -2.778 1.00 11.43 H new ATOM 0 HB3 ASN A 113 -9.121 3.842 -3.977 1.00 11.43 H new ATOM 0 HD21 ASN A 113 -9.166 2.388 -0.083 1.00 53.32 H new ATOM 0 HD22 ASN A 113 -7.825 3.393 -0.640 1.00 53.32 H new ATOM 1783 N SER A 114 -6.341 5.948 -4.332 1.00 73.21 N ATOM 1784 CA SER A 114 -5.817 6.718 -5.489 1.00 54.33 C ATOM 1785 C SER A 114 -4.570 6.046 -6.115 1.00 31.55 C ATOM 1786 O SER A 114 -4.450 5.999 -7.336 1.00 54.20 O ATOM 1787 CB SER A 114 -5.479 8.179 -5.082 1.00 61.52 C ATOM 1788 OG SER A 114 -6.641 8.893 -4.673 1.00 71.15 O ATOM 0 H SER A 114 -6.432 6.502 -3.480 1.00 73.21 H new ATOM 0 HA SER A 114 -6.607 6.732 -6.240 1.00 54.33 H new ATOM 0 HB2 SER A 114 -4.752 8.172 -4.270 1.00 61.52 H new ATOM 0 HB3 SER A 114 -5.013 8.693 -5.923 1.00 61.52 H new ATOM 0 HG SER A 114 -7.035 8.455 -3.890 1.00 71.15 H new ATOM 1794 N TYR A 115 -3.668 5.501 -5.266 1.00 73.22 N ATOM 1795 CA TYR A 115 -2.465 4.774 -5.745 1.00 33.43 C ATOM 1796 C TYR A 115 -2.806 3.358 -6.223 1.00 74.11 C ATOM 1797 O TYR A 115 -2.304 2.918 -7.252 1.00 43.40 O ATOM 1798 CB TYR A 115 -1.409 4.666 -4.625 1.00 24.14 C ATOM 1799 CG TYR A 115 -0.771 5.996 -4.253 1.00 62.03 C ATOM 1800 CD1 TYR A 115 0.115 6.625 -5.130 1.00 22.23 C ATOM 1801 CD2 TYR A 115 -1.036 6.617 -3.038 1.00 13.35 C ATOM 1802 CE1 TYR A 115 0.715 7.813 -4.805 1.00 21.21 C ATOM 1803 CE2 TYR A 115 -0.436 7.805 -2.715 1.00 12.20 C ATOM 1804 CZ TYR A 115 0.440 8.395 -3.600 1.00 1.34 C ATOM 1805 OH TYR A 115 1.042 9.578 -3.272 1.00 64.23 O ATOM 0 H TYR A 115 -3.748 5.549 -4.250 1.00 73.22 H new ATOM 0 HA TYR A 115 -2.069 5.348 -6.583 1.00 33.43 H new ATOM 0 HB2 TYR A 115 -1.876 4.237 -3.738 1.00 24.14 H new ATOM 0 HB3 TYR A 115 -0.628 3.974 -4.940 1.00 24.14 H new ATOM 0 HD1 TYR A 115 0.332 6.166 -6.083 1.00 22.23 H new ATOM 0 HD2 TYR A 115 -1.722 6.158 -2.342 1.00 13.35 H new ATOM 0 HE1 TYR A 115 1.399 8.285 -5.495 1.00 21.21 H new ATOM 0 HE2 TYR A 115 -0.649 8.279 -1.768 1.00 12.20 H new ATOM 0 HH TYR A 115 0.655 10.302 -3.807 1.00 64.23 H new ATOM 1815 N ILE A 116 -3.687 2.675 -5.482 1.00 44.15 N ATOM 1816 CA ILE A 116 -4.032 1.251 -5.734 1.00 34.35 C ATOM 1817 C ILE A 116 -4.783 1.076 -7.085 1.00 51.22 C ATOM 1818 O ILE A 116 -4.699 0.029 -7.739 1.00 20.14 O ATOM 1819 CB ILE A 116 -4.866 0.674 -4.528 1.00 44.51 C ATOM 1820 CG1 ILE A 116 -4.126 0.937 -3.165 1.00 14.33 C ATOM 1821 CG2 ILE A 116 -5.168 -0.835 -4.706 1.00 1.24 C ATOM 1822 CD1 ILE A 116 -2.770 0.259 -3.004 1.00 55.02 C ATOM 0 H ILE A 116 -4.185 3.083 -4.691 1.00 44.15 H new ATOM 0 HA ILE A 116 -3.106 0.682 -5.813 1.00 34.35 H new ATOM 0 HB ILE A 116 -5.822 1.197 -4.512 1.00 44.51 H new ATOM 0 HG12 ILE A 116 -3.989 2.012 -3.049 1.00 14.33 H new ATOM 0 HG13 ILE A 116 -4.774 0.609 -2.352 1.00 14.33 H new ATOM 0 HG21 ILE A 116 -5.745 -1.194 -3.853 1.00 1.24 H new ATOM 0 HG22 ILE A 116 -5.741 -0.986 -5.621 1.00 1.24 H new ATOM 0 HG23 ILE A 116 -4.231 -1.389 -4.769 1.00 1.24 H new ATOM 0 HD11 ILE A 116 -2.352 0.509 -2.029 1.00 55.02 H new ATOM 0 HD12 ILE A 116 -2.892 -0.821 -3.080 1.00 55.02 H new ATOM 0 HD13 ILE A 116 -2.095 0.604 -3.788 1.00 55.02 H new ATOM 1834 N ASP A 117 -5.481 2.141 -7.502 1.00 42.52 N ATOM 1835 CA ASP A 117 -6.200 2.213 -8.785 1.00 1.12 C ATOM 1836 C ASP A 117 -5.403 2.998 -9.874 1.00 71.12 C ATOM 1837 O ASP A 117 -5.913 3.195 -10.988 1.00 32.01 O ATOM 1838 CB ASP A 117 -7.603 2.829 -8.544 1.00 3.02 C ATOM 1839 CG ASP A 117 -8.481 1.955 -7.616 1.00 54.14 C ATOM 1840 OD1 ASP A 117 -8.890 0.851 -8.040 1.00 75.14 O ATOM 1841 OD2 ASP A 117 -8.776 2.364 -6.468 1.00 24.40 O ATOM 0 H ASP A 117 -5.564 2.993 -6.948 1.00 42.52 H new ATOM 0 HA ASP A 117 -6.312 1.202 -9.176 1.00 1.12 H new ATOM 0 HB2 ASP A 117 -7.491 3.820 -8.105 1.00 3.02 H new ATOM 0 HB3 ASP A 117 -8.109 2.959 -9.501 1.00 3.02 H new ATOM 1846 N SER A 118 -4.153 3.443 -9.570 1.00 63.30 N ATOM 1847 CA SER A 118 -3.290 4.164 -10.559 1.00 32.41 C ATOM 1848 C SER A 118 -2.814 3.231 -11.694 1.00 11.34 C ATOM 1849 O SER A 118 -2.482 2.069 -11.451 1.00 2.32 O ATOM 1850 CB SER A 118 -2.039 4.795 -9.880 1.00 25.41 C ATOM 1851 OG SER A 118 -2.375 5.863 -9.014 1.00 12.22 O ATOM 0 H SER A 118 -3.719 3.318 -8.655 1.00 63.30 H new ATOM 0 HA SER A 118 -3.912 4.954 -10.979 1.00 32.41 H new ATOM 0 HB2 SER A 118 -1.509 4.027 -9.316 1.00 25.41 H new ATOM 0 HB3 SER A 118 -1.355 5.156 -10.648 1.00 25.41 H new ATOM 0 HG SER A 118 -3.121 5.595 -8.438 1.00 12.22 H new ATOM 1857 N ALA A 119 -2.770 3.774 -12.924 1.00 71.25 N ATOM 1858 CA ALA A 119 -2.287 3.052 -14.122 1.00 64.01 C ATOM 1859 C ALA A 119 -0.803 2.622 -13.991 1.00 11.32 C ATOM 1860 O ALA A 119 -0.465 1.467 -14.239 1.00 71.44 O ATOM 1861 CB ALA A 119 -2.489 3.929 -15.362 1.00 32.22 C ATOM 0 H ALA A 119 -3.069 4.730 -13.119 1.00 71.25 H new ATOM 0 HA ALA A 119 -2.870 2.137 -14.221 1.00 64.01 H new ATOM 0 HB1 ALA A 119 -2.133 3.398 -16.245 1.00 32.22 H new ATOM 0 HB2 ALA A 119 -3.549 4.157 -15.478 1.00 32.22 H new ATOM 0 HB3 ALA A 119 -1.929 4.857 -15.247 1.00 32.22 H new ATOM 1867 N GLU A 120 0.064 3.562 -13.560 1.00 75.42 N ATOM 1868 CA GLU A 120 1.518 3.310 -13.363 1.00 30.14 C ATOM 1869 C GLU A 120 1.772 2.174 -12.332 1.00 73.23 C ATOM 1870 O GLU A 120 2.681 1.358 -12.490 1.00 42.22 O ATOM 1871 CB GLU A 120 2.239 4.617 -12.909 1.00 12.14 C ATOM 1872 CG GLU A 120 1.774 5.177 -11.541 1.00 64.43 C ATOM 1873 CD GLU A 120 2.550 6.426 -11.090 1.00 11.31 C ATOM 1874 OE1 GLU A 120 3.634 6.281 -10.490 1.00 41.32 O ATOM 1875 OE2 GLU A 120 2.087 7.561 -11.338 1.00 4.20 O ATOM 0 H GLU A 120 -0.217 4.517 -13.338 1.00 75.42 H new ATOM 0 HA GLU A 120 1.927 2.988 -14.321 1.00 30.14 H new ATOM 0 HB2 GLU A 120 3.311 4.426 -12.861 1.00 12.14 H new ATOM 0 HB3 GLU A 120 2.085 5.382 -13.670 1.00 12.14 H new ATOM 0 HG2 GLU A 120 0.713 5.420 -11.599 1.00 64.43 H new ATOM 0 HG3 GLU A 120 1.882 4.400 -10.784 1.00 64.43 H new ATOM 1882 N TYR A 121 0.943 2.141 -11.286 1.00 71.53 N ATOM 1883 CA TYR A 121 1.054 1.172 -10.187 1.00 62.23 C ATOM 1884 C TYR A 121 0.538 -0.236 -10.590 1.00 72.43 C ATOM 1885 O TYR A 121 1.255 -1.232 -10.472 1.00 31.04 O ATOM 1886 CB TYR A 121 0.266 1.731 -8.983 1.00 14.54 C ATOM 1887 CG TYR A 121 0.330 0.877 -7.717 1.00 24.33 C ATOM 1888 CD1 TYR A 121 1.543 0.607 -7.105 1.00 62.54 C ATOM 1889 CD2 TYR A 121 -0.821 0.360 -7.130 1.00 62.43 C ATOM 1890 CE1 TYR A 121 1.600 -0.144 -5.962 1.00 24.22 C ATOM 1891 CE2 TYR A 121 -0.763 -0.387 -5.985 1.00 42.21 C ATOM 1892 CZ TYR A 121 0.447 -0.637 -5.404 1.00 54.31 C ATOM 1893 OH TYR A 121 0.506 -1.398 -4.264 1.00 4.24 O ATOM 0 H TYR A 121 0.166 2.793 -11.175 1.00 71.53 H new ATOM 0 HA TYR A 121 2.104 1.041 -9.927 1.00 62.23 H new ATOM 0 HB2 TYR A 121 0.644 2.727 -8.751 1.00 14.54 H new ATOM 0 HB3 TYR A 121 -0.778 1.846 -9.273 1.00 14.54 H new ATOM 0 HD1 TYR A 121 2.455 0.994 -7.535 1.00 62.54 H new ATOM 0 HD2 TYR A 121 -1.780 0.552 -7.588 1.00 62.43 H new ATOM 0 HE1 TYR A 121 2.554 -0.349 -5.499 1.00 24.22 H new ATOM 0 HE2 TYR A 121 -1.669 -0.776 -5.544 1.00 42.21 H new ATOM 0 HH TYR A 121 -0.400 -1.665 -4.002 1.00 4.24 H new ATOM 1903 N THR A 122 -0.699 -0.299 -11.096 1.00 62.01 N ATOM 1904 CA THR A 122 -1.378 -1.575 -11.430 1.00 52.44 C ATOM 1905 C THR A 122 -0.740 -2.267 -12.666 1.00 31.31 C ATOM 1906 O THR A 122 -0.687 -3.501 -12.738 1.00 53.25 O ATOM 1907 CB THR A 122 -2.914 -1.337 -11.656 1.00 70.30 C ATOM 1908 OG1 THR A 122 -3.464 -0.645 -10.516 1.00 74.11 O ATOM 1909 CG2 THR A 122 -3.702 -2.642 -11.868 1.00 44.12 C ATOM 0 H THR A 122 -1.265 0.528 -11.289 1.00 62.01 H new ATOM 0 HA THR A 122 -1.248 -2.247 -10.582 1.00 52.44 H new ATOM 0 HB THR A 122 -3.011 -0.744 -12.565 1.00 70.30 H new ATOM 0 HG1 THR A 122 -3.266 0.312 -10.587 1.00 74.11 H new ATOM 0 HG21 THR A 122 -4.756 -2.410 -12.018 1.00 44.12 H new ATOM 0 HG22 THR A 122 -3.316 -3.162 -12.745 1.00 44.12 H new ATOM 0 HG23 THR A 122 -3.592 -3.280 -10.991 1.00 44.12 H new ATOM 1917 N GLU A 123 -0.269 -1.464 -13.640 1.00 13.00 N ATOM 1918 CA GLU A 123 0.476 -1.981 -14.818 1.00 14.11 C ATOM 1919 C GLU A 123 1.965 -2.272 -14.492 1.00 50.11 C ATOM 1920 O GLU A 123 2.365 -3.437 -14.460 1.00 32.02 O ATOM 1921 CB GLU A 123 0.352 -1.007 -16.016 1.00 44.02 C ATOM 1922 CG GLU A 123 -1.098 -0.780 -16.494 1.00 42.23 C ATOM 1923 CD GLU A 123 -1.199 0.182 -17.691 1.00 52.12 C ATOM 1924 OE1 GLU A 123 -1.290 1.410 -17.482 1.00 40.02 O ATOM 1925 OE2 GLU A 123 -1.169 -0.289 -18.855 1.00 2.23 O ATOM 0 H GLU A 123 -0.389 -0.451 -13.639 1.00 13.00 H new ATOM 0 HA GLU A 123 0.020 -2.932 -15.094 1.00 14.11 H new ATOM 0 HB2 GLU A 123 0.786 -0.047 -15.737 1.00 44.02 H new ATOM 0 HB3 GLU A 123 0.941 -1.393 -16.848 1.00 44.02 H new ATOM 0 HG2 GLU A 123 -1.537 -1.739 -16.769 1.00 42.23 H new ATOM 0 HG3 GLU A 123 -1.688 -0.384 -15.668 1.00 42.23 H new ATOM 1932 N SER A 124 2.774 -1.219 -14.213 1.00 60.10 N ATOM 1933 CA SER A 124 4.262 -1.359 -14.090 1.00 21.22 C ATOM 1934 C SER A 124 4.701 -2.148 -12.820 1.00 33.32 C ATOM 1935 O SER A 124 5.705 -2.861 -12.853 1.00 63.51 O ATOM 1936 CB SER A 124 4.955 0.026 -14.118 1.00 13.10 C ATOM 1937 OG SER A 124 6.372 -0.080 -14.196 1.00 71.11 O ATOM 0 H SER A 124 2.433 -0.269 -14.069 1.00 60.10 H new ATOM 0 HA SER A 124 4.580 -1.941 -14.955 1.00 21.22 H new ATOM 0 HB2 SER A 124 4.588 0.596 -14.972 1.00 13.10 H new ATOM 0 HB3 SER A 124 4.683 0.584 -13.222 1.00 13.10 H new ATOM 0 HG SER A 124 6.767 0.817 -14.213 1.00 71.11 H new ATOM 1943 N PHE A 125 3.952 -2.014 -11.701 1.00 21.21 N ATOM 1944 CA PHE A 125 4.189 -2.825 -10.467 1.00 70.33 C ATOM 1945 C PHE A 125 3.261 -4.058 -10.393 1.00 15.12 C ATOM 1946 O PHE A 125 3.297 -4.769 -9.392 1.00 31.43 O ATOM 1947 CB PHE A 125 4.026 -1.957 -9.185 1.00 14.40 C ATOM 1948 CG PHE A 125 5.066 -0.850 -9.072 1.00 41.22 C ATOM 1949 CD1 PHE A 125 6.310 -1.101 -8.494 1.00 72.11 C ATOM 1950 CD2 PHE A 125 4.813 0.430 -9.567 1.00 22.42 C ATOM 1951 CE1 PHE A 125 7.268 -0.111 -8.417 1.00 64.24 C ATOM 1952 CE2 PHE A 125 5.767 1.419 -9.484 1.00 5.43 C ATOM 1953 CZ PHE A 125 6.996 1.149 -8.912 1.00 64.24 C ATOM 0 H PHE A 125 3.178 -1.355 -11.620 1.00 21.21 H new ATOM 0 HA PHE A 125 5.217 -3.184 -10.522 1.00 70.33 H new ATOM 0 HB2 PHE A 125 3.031 -1.513 -9.179 1.00 14.40 H new ATOM 0 HB3 PHE A 125 4.093 -2.600 -8.308 1.00 14.40 H new ATOM 0 HD1 PHE A 125 6.526 -2.084 -8.101 1.00 72.11 H new ATOM 0 HD2 PHE A 125 3.857 0.647 -10.021 1.00 22.42 H new ATOM 0 HE1 PHE A 125 8.229 -0.321 -7.970 1.00 64.24 H new ATOM 0 HE2 PHE A 125 5.555 2.407 -9.866 1.00 5.43 H new ATOM 0 HZ PHE A 125 7.745 1.925 -8.852 1.00 64.24 H new ATOM 1963 N GLY A 126 2.438 -4.277 -11.451 1.00 14.35 N ATOM 1964 CA GLY A 126 1.580 -5.478 -11.596 1.00 5.54 C ATOM 1965 C GLY A 126 0.532 -5.720 -10.479 1.00 62.23 C ATOM 1966 O GLY A 126 0.873 -5.748 -9.297 1.00 75.52 O ATOM 0 H GLY A 126 2.352 -3.623 -12.229 1.00 14.35 H new ATOM 0 HA2 GLY A 126 1.054 -5.408 -12.548 1.00 5.54 H new ATOM 0 HA3 GLY A 126 2.226 -6.354 -11.653 1.00 5.54 H new ATOM 1970 N ASP A 127 -0.738 -5.970 -10.852 1.00 64.02 N ATOM 1971 CA ASP A 127 -1.849 -6.154 -9.876 1.00 24.02 C ATOM 1972 C ASP A 127 -1.665 -7.434 -9.005 1.00 62.12 C ATOM 1973 O ASP A 127 -2.133 -7.493 -7.868 1.00 11.44 O ATOM 1974 CB ASP A 127 -3.219 -6.186 -10.609 1.00 13.04 C ATOM 1975 CG ASP A 127 -3.439 -7.463 -11.439 1.00 53.33 C ATOM 1976 OD1 ASP A 127 -2.708 -7.666 -12.431 1.00 62.32 O ATOM 1977 OD2 ASP A 127 -4.324 -8.269 -11.088 1.00 14.04 O ATOM 0 H ASP A 127 -1.029 -6.051 -11.826 1.00 64.02 H new ATOM 0 HA ASP A 127 -1.828 -5.299 -9.200 1.00 24.02 H new ATOM 0 HB2 ASP A 127 -4.018 -6.098 -9.873 1.00 13.04 H new ATOM 0 HB3 ASP A 127 -3.292 -5.318 -11.265 1.00 13.04 H new ATOM 1982 N ASN A 128 -0.991 -8.455 -9.565 1.00 65.03 N ATOM 1983 CA ASN A 128 -0.664 -9.715 -8.843 1.00 13.34 C ATOM 1984 C ASN A 128 0.770 -9.690 -8.261 1.00 43.54 C ATOM 1985 O ASN A 128 1.189 -10.626 -7.584 1.00 33.32 O ATOM 1986 CB ASN A 128 -0.841 -10.930 -9.790 1.00 62.43 C ATOM 1987 CG ASN A 128 -2.256 -11.066 -10.367 1.00 42.32 C ATOM 1988 OD1 ASN A 128 -2.443 -11.561 -11.475 1.00 61.24 O ATOM 1989 ND2 ASN A 128 -3.270 -10.651 -9.622 1.00 33.20 N ATOM 0 H ASN A 128 -0.655 -8.438 -10.528 1.00 65.03 H new ATOM 0 HA ASN A 128 -1.354 -9.807 -8.005 1.00 13.34 H new ATOM 0 HB2 ASN A 128 -0.130 -10.844 -10.612 1.00 62.43 H new ATOM 0 HB3 ASN A 128 -0.591 -11.841 -9.247 1.00 62.43 H new ATOM 0 HD21 ASN A 128 -4.226 -10.740 -9.966 1.00 33.20 H new ATOM 0 HD22 ASN A 128 -3.095 -10.242 -8.704 1.00 33.20 H new ATOM 1996 N VAL A 129 1.490 -8.590 -8.493 1.00 12.31 N ATOM 1997 CA VAL A 129 2.915 -8.451 -8.130 1.00 71.50 C ATOM 1998 C VAL A 129 3.070 -7.513 -6.909 1.00 62.13 C ATOM 1999 O VAL A 129 2.354 -6.505 -6.789 1.00 31.02 O ATOM 2000 CB VAL A 129 3.757 -7.898 -9.340 1.00 62.03 C ATOM 2001 CG1 VAL A 129 5.279 -7.955 -9.068 1.00 74.00 C ATOM 2002 CG2 VAL A 129 3.391 -8.631 -10.647 1.00 43.31 C ATOM 0 H VAL A 129 1.103 -7.760 -8.942 1.00 12.31 H new ATOM 0 HA VAL A 129 3.293 -9.440 -7.872 1.00 71.50 H new ATOM 0 HB VAL A 129 3.499 -6.846 -9.458 1.00 62.03 H new ATOM 0 HG11 VAL A 129 5.818 -7.563 -9.931 1.00 74.00 H new ATOM 0 HG12 VAL A 129 5.514 -7.354 -8.190 1.00 74.00 H new ATOM 0 HG13 VAL A 129 5.579 -8.988 -8.892 1.00 74.00 H new ATOM 0 HG21 VAL A 129 3.986 -8.231 -11.468 1.00 43.31 H new ATOM 0 HG22 VAL A 129 3.595 -9.696 -10.536 1.00 43.31 H new ATOM 0 HG23 VAL A 129 2.332 -8.485 -10.862 1.00 43.31 H new ATOM 2012 N VAL A 130 4.000 -7.868 -6.006 1.00 24.13 N ATOM 2013 CA VAL A 130 4.326 -7.053 -4.822 1.00 1.24 C ATOM 2014 C VAL A 130 5.255 -5.887 -5.252 1.00 75.21 C ATOM 2015 O VAL A 130 6.280 -6.129 -5.913 1.00 22.31 O ATOM 2016 CB VAL A 130 5.048 -7.914 -3.705 1.00 45.31 C ATOM 2017 CG1 VAL A 130 5.375 -7.069 -2.438 1.00 61.33 C ATOM 2018 CG2 VAL A 130 4.205 -9.159 -3.342 1.00 4.41 C ATOM 0 H VAL A 130 4.546 -8.727 -6.076 1.00 24.13 H new ATOM 0 HA VAL A 130 3.396 -6.668 -4.403 1.00 1.24 H new ATOM 0 HB VAL A 130 5.999 -8.252 -4.117 1.00 45.31 H new ATOM 0 HG11 VAL A 130 5.869 -7.699 -1.698 1.00 61.33 H new ATOM 0 HG12 VAL A 130 6.034 -6.244 -2.711 1.00 61.33 H new ATOM 0 HG13 VAL A 130 4.451 -6.672 -2.017 1.00 61.33 H new ATOM 0 HG21 VAL A 130 4.720 -9.735 -2.573 1.00 4.41 H new ATOM 0 HG22 VAL A 130 3.232 -8.843 -2.967 1.00 4.41 H new ATOM 0 HG23 VAL A 130 4.069 -9.777 -4.229 1.00 4.41 H new ATOM 2028 N PRO A 131 4.901 -4.606 -4.896 1.00 63.43 N ATOM 2029 CA PRO A 131 5.771 -3.431 -5.152 1.00 25.23 C ATOM 2030 C PRO A 131 7.111 -3.489 -4.373 1.00 51.42 C ATOM 2031 O PRO A 131 7.225 -4.153 -3.337 1.00 43.04 O ATOM 2032 CB PRO A 131 4.901 -2.221 -4.700 1.00 24.03 C ATOM 2033 CG PRO A 131 3.500 -2.755 -4.670 1.00 73.14 C ATOM 2034 CD PRO A 131 3.626 -4.195 -4.254 1.00 31.55 C ATOM 0 HA PRO A 131 6.075 -3.375 -6.197 1.00 25.23 H new ATOM 0 HB2 PRO A 131 5.208 -1.856 -3.720 1.00 24.03 H new ATOM 0 HB3 PRO A 131 4.992 -1.385 -5.394 1.00 24.03 H new ATOM 0 HG2 PRO A 131 2.882 -2.196 -3.967 1.00 73.14 H new ATOM 0 HG3 PRO A 131 3.027 -2.669 -5.648 1.00 73.14 H new ATOM 0 HD2 PRO A 131 3.665 -4.302 -3.170 1.00 31.55 H new ATOM 0 HD3 PRO A 131 2.785 -4.793 -4.604 1.00 31.55 H new ATOM 2042 N TYR A 132 8.105 -2.769 -4.891 1.00 64.14 N ATOM 2043 CA TYR A 132 9.485 -2.766 -4.369 1.00 52.11 C ATOM 2044 C TYR A 132 10.025 -1.325 -4.298 1.00 34.23 C ATOM 2045 O TYR A 132 9.590 -0.444 -5.057 1.00 53.33 O ATOM 2046 CB TYR A 132 10.392 -3.656 -5.277 1.00 15.31 C ATOM 2047 CG TYR A 132 10.269 -3.359 -6.790 1.00 54.30 C ATOM 2048 CD1 TYR A 132 9.314 -4.014 -7.578 1.00 53.22 C ATOM 2049 CD2 TYR A 132 11.096 -2.422 -7.425 1.00 24.15 C ATOM 2050 CE1 TYR A 132 9.188 -3.752 -8.929 1.00 5.34 C ATOM 2051 CE2 TYR A 132 10.970 -2.156 -8.778 1.00 73.41 C ATOM 2052 CZ TYR A 132 10.016 -2.824 -9.525 1.00 61.14 C ATOM 2053 OH TYR A 132 9.889 -2.561 -10.874 1.00 70.41 O ATOM 0 H TYR A 132 7.980 -2.159 -5.699 1.00 64.14 H new ATOM 0 HA TYR A 132 9.490 -3.179 -3.360 1.00 52.11 H new ATOM 0 HB2 TYR A 132 11.431 -3.521 -4.976 1.00 15.31 H new ATOM 0 HB3 TYR A 132 10.143 -4.703 -5.103 1.00 15.31 H new ATOM 0 HD1 TYR A 132 8.661 -4.741 -7.119 1.00 53.22 H new ATOM 0 HD2 TYR A 132 11.845 -1.898 -6.849 1.00 24.15 H new ATOM 0 HE1 TYR A 132 8.445 -4.272 -9.515 1.00 5.34 H new ATOM 0 HE2 TYR A 132 11.615 -1.429 -9.249 1.00 73.41 H new ATOM 0 HH TYR A 132 10.545 -1.883 -11.138 1.00 70.41 H new ATOM 2063 N PHE A 133 10.971 -1.099 -3.377 1.00 12.20 N ATOM 2064 CA PHE A 133 11.688 0.183 -3.265 1.00 34.23 C ATOM 2065 C PHE A 133 12.796 0.250 -4.342 1.00 42.34 C ATOM 2066 O PHE A 133 13.431 -0.766 -4.658 1.00 5.42 O ATOM 2067 CB PHE A 133 12.283 0.354 -1.841 1.00 31.44 C ATOM 2068 CG PHE A 133 12.937 1.721 -1.596 1.00 33.50 C ATOM 2069 CD1 PHE A 133 12.153 2.868 -1.440 1.00 53.32 C ATOM 2070 CD2 PHE A 133 14.329 1.864 -1.539 1.00 13.13 C ATOM 2071 CE1 PHE A 133 12.735 4.107 -1.234 1.00 12.43 C ATOM 2072 CE2 PHE A 133 14.909 3.106 -1.335 1.00 33.12 C ATOM 2073 CZ PHE A 133 14.112 4.226 -1.182 1.00 64.13 C ATOM 0 H PHE A 133 11.262 -1.795 -2.690 1.00 12.20 H new ATOM 0 HA PHE A 133 10.988 1.002 -3.430 1.00 34.23 H new ATOM 0 HB2 PHE A 133 11.491 0.205 -1.107 1.00 31.44 H new ATOM 0 HB3 PHE A 133 13.024 -0.427 -1.672 1.00 31.44 H new ATOM 0 HD1 PHE A 133 11.077 2.786 -1.481 1.00 53.32 H new ATOM 0 HD2 PHE A 133 14.959 0.995 -1.656 1.00 13.13 H new ATOM 0 HE1 PHE A 133 12.113 4.982 -1.114 1.00 12.43 H new ATOM 0 HE2 PHE A 133 15.984 3.199 -1.295 1.00 33.12 H new ATOM 0 HZ PHE A 133 14.565 5.193 -1.022 1.00 64.13 H new