USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 639 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 26 GLN : amide:sc= -0.467 X(o=1.2,f=1.3) USER MOD Set 1.2: A 30 TYR OH : rot 30:sc= 1.09 USER MOD Set 1.3: A 70 SER OG : rot 119:sc= 0.616 USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0933 (180deg=-0.511) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 159:sc= -0.145 (180deg=-0.767) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 162:sc= -0.304 (180deg=-1.17) USER MOD Single : A 20 THR OG1 : rot -77:sc= 1.12 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 40 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-2.9) USER MOD Single : A 42 LYS NZ :NH3+ -137:sc= -0.0258 (180deg=-0.235) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0.718 USER MOD Single : A 59 ASN : amide:sc= -2.84! C(o=-2.8!,f=-9.2!) USER MOD Single : A 60 TYR OH : rot 15:sc= 0.0197 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 154:sc= 1.13 (180deg=0.595) USER MOD Single : A 73 HIS : no HD1:sc= -0.0523 X(o=-0.052,f=0) USER MOD Single : A 74 HIS : no HE2:sc= 0.329 K(o=0.33,f=-2!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 77 HIS : no HD1:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.00068) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.287 -8.068 -4.887 1.00 62.44 N ATOM 2 CA MET A 1 5.403 -9.052 -4.814 1.00 3.43 C ATOM 3 C MET A 1 5.616 -9.513 -3.366 1.00 44.42 C ATOM 4 O MET A 1 6.049 -8.735 -2.512 1.00 40.33 O ATOM 5 CB MET A 1 6.688 -8.430 -5.381 1.00 2.40 C ATOM 6 CG MET A 1 7.870 -9.390 -5.441 1.00 13.45 C ATOM 7 SD MET A 1 9.297 -8.689 -6.298 1.00 51.14 S ATOM 8 CE MET A 1 9.606 -7.217 -5.323 1.00 22.32 C ATOM 0 H1 MET A 1 4.155 -7.765 -5.873 1.00 62.44 H new ATOM 0 H2 MET A 1 3.412 -8.510 -4.540 1.00 62.44 H new ATOM 0 H3 MET A 1 4.514 -7.241 -4.299 1.00 62.44 H new ATOM 0 HA MET A 1 5.145 -9.925 -5.414 1.00 3.43 H new ATOM 0 HB2 MET A 1 6.486 -8.056 -6.385 1.00 2.40 H new ATOM 0 HB3 MET A 1 6.963 -7.570 -4.770 1.00 2.40 H new ATOM 0 HG2 MET A 1 8.160 -9.666 -4.427 1.00 13.45 H new ATOM 0 HG3 MET A 1 7.563 -10.306 -5.945 1.00 13.45 H new ATOM 0 HE1 MET A 1 10.604 -6.838 -5.543 1.00 22.32 H new ATOM 0 HE2 MET A 1 8.866 -6.455 -5.569 1.00 22.32 H new ATOM 0 HE3 MET A 1 9.536 -7.461 -4.263 1.00 22.32 H new ATOM 20 N ALA A 2 5.314 -10.783 -3.093 1.00 43.00 N ATOM 21 CA ALA A 2 5.257 -11.280 -1.714 1.00 52.11 C ATOM 22 C ALA A 2 6.388 -12.262 -1.367 1.00 74.04 C ATOM 23 O ALA A 2 6.484 -13.352 -1.932 1.00 2.10 O ATOM 24 CB ALA A 2 3.903 -11.938 -1.461 1.00 22.43 C ATOM 0 H ALA A 2 5.106 -11.485 -3.803 1.00 43.00 H new ATOM 0 HA ALA A 2 5.390 -10.415 -1.065 1.00 52.11 H new ATOM 0 HB1 ALA A 2 3.863 -12.306 -0.436 1.00 22.43 H new ATOM 0 HB2 ALA A 2 3.109 -11.207 -1.615 1.00 22.43 H new ATOM 0 HB3 ALA A 2 3.769 -12.771 -2.151 1.00 22.43 H new ATOM 30 N GLN A 3 7.246 -11.856 -0.434 1.00 1.24 N ATOM 31 CA GLN A 3 8.192 -12.770 0.215 1.00 50.42 C ATOM 32 C GLN A 3 7.744 -13.010 1.667 1.00 31.03 C ATOM 33 O GLN A 3 7.423 -12.063 2.388 1.00 22.52 O ATOM 34 CB GLN A 3 9.626 -12.210 0.167 1.00 15.55 C ATOM 35 CG GLN A 3 9.786 -10.825 0.789 1.00 4.34 C ATOM 36 CD GLN A 3 11.207 -10.290 0.686 1.00 5.24 C ATOM 37 OE1 GLN A 3 11.941 -10.602 -0.247 1.00 5.51 O ATOM 38 NE2 GLN A 3 11.610 -9.483 1.644 1.00 5.44 N ATOM 0 H GLN A 3 7.308 -10.892 -0.106 1.00 1.24 H new ATOM 0 HA GLN A 3 8.198 -13.719 -0.322 1.00 50.42 H new ATOM 0 HB2 GLN A 3 10.291 -12.904 0.681 1.00 15.55 H new ATOM 0 HB3 GLN A 3 9.951 -12.167 -0.872 1.00 15.55 H new ATOM 0 HG2 GLN A 3 9.105 -10.130 0.297 1.00 4.34 H new ATOM 0 HG3 GLN A 3 9.494 -10.868 1.838 1.00 4.34 H new ATOM 0 HE21 GLN A 3 10.978 -9.241 2.407 1.00 5.44 H new ATOM 0 HE22 GLN A 3 12.555 -9.099 1.624 1.00 5.44 H new ATOM 47 N ILE A 4 7.697 -14.271 2.088 1.00 35.01 N ATOM 48 CA ILE A 4 7.137 -14.621 3.400 1.00 75.01 C ATOM 49 C ILE A 4 8.188 -14.555 4.521 1.00 74.45 C ATOM 50 O ILE A 4 9.138 -15.338 4.548 1.00 13.13 O ATOM 51 CB ILE A 4 6.504 -16.037 3.377 1.00 10.24 C ATOM 52 CG1 ILE A 4 5.419 -16.126 2.291 1.00 31.31 C ATOM 53 CG2 ILE A 4 5.926 -16.398 4.748 1.00 23.11 C ATOM 54 CD1 ILE A 4 4.267 -15.156 2.478 1.00 75.52 C ATOM 0 H ILE A 4 8.036 -15.066 1.547 1.00 35.01 H new ATOM 0 HA ILE A 4 6.366 -13.879 3.610 1.00 75.01 H new ATOM 0 HB ILE A 4 7.288 -16.756 3.140 1.00 10.24 H new ATOM 0 HG12 ILE A 4 5.878 -15.944 1.319 1.00 31.31 H new ATOM 0 HG13 ILE A 4 5.024 -17.142 2.271 1.00 31.31 H new ATOM 0 HG21 ILE A 4 5.488 -17.395 4.707 1.00 23.11 H new ATOM 0 HG22 ILE A 4 6.721 -16.381 5.494 1.00 23.11 H new ATOM 0 HG23 ILE A 4 5.157 -15.675 5.021 1.00 23.11 H new ATOM 0 HD11 ILE A 4 3.548 -15.285 1.669 1.00 75.52 H new ATOM 0 HD12 ILE A 4 3.779 -15.351 3.433 1.00 75.52 H new ATOM 0 HD13 ILE A 4 4.646 -14.134 2.466 1.00 75.52 H new ATOM 66 N ILE A 5 8.014 -13.608 5.444 1.00 41.34 N ATOM 67 CA ILE A 5 8.880 -13.506 6.622 1.00 32.51 C ATOM 68 C ILE A 5 8.409 -14.480 7.717 1.00 22.43 C ATOM 69 O ILE A 5 7.366 -14.271 8.346 1.00 61.01 O ATOM 70 CB ILE A 5 8.923 -12.059 7.202 1.00 43.53 C ATOM 71 CG1 ILE A 5 9.558 -11.067 6.202 1.00 0.11 C ATOM 72 CG2 ILE A 5 9.685 -12.032 8.530 1.00 12.23 C ATOM 73 CD1 ILE A 5 8.713 -10.777 4.978 1.00 71.43 C ATOM 0 H ILE A 5 7.281 -12.900 5.399 1.00 41.34 H new ATOM 0 HA ILE A 5 9.887 -13.767 6.298 1.00 32.51 H new ATOM 0 HB ILE A 5 7.894 -11.746 7.379 1.00 43.53 H new ATOM 0 HG12 ILE A 5 9.759 -10.129 6.719 1.00 0.11 H new ATOM 0 HG13 ILE A 5 10.520 -11.464 5.877 1.00 0.11 H new ATOM 0 HG21 ILE A 5 9.704 -11.014 8.918 1.00 12.23 H new ATOM 0 HG22 ILE A 5 9.188 -12.685 9.248 1.00 12.23 H new ATOM 0 HG23 ILE A 5 10.706 -12.378 8.371 1.00 12.23 H new ATOM 0 HD11 ILE A 5 9.237 -10.072 4.333 1.00 71.43 H new ATOM 0 HD12 ILE A 5 8.533 -11.703 4.432 1.00 71.43 H new ATOM 0 HD13 ILE A 5 7.760 -10.347 5.287 1.00 71.43 H new ATOM 85 N PHE A 6 9.167 -15.552 7.928 1.00 53.31 N ATOM 86 CA PHE A 6 8.810 -16.567 8.925 1.00 42.13 C ATOM 87 C PHE A 6 9.037 -16.058 10.356 1.00 40.14 C ATOM 88 O PHE A 6 10.077 -15.482 10.666 1.00 5.45 O ATOM 89 CB PHE A 6 9.612 -17.856 8.690 1.00 35.32 C ATOM 90 CG PHE A 6 9.286 -18.541 7.383 1.00 2.33 C ATOM 91 CD1 PHE A 6 9.938 -18.181 6.211 1.00 61.33 C ATOM 92 CD2 PHE A 6 8.325 -19.545 7.328 1.00 71.51 C ATOM 93 CE1 PHE A 6 9.640 -18.810 5.015 1.00 52.03 C ATOM 94 CE2 PHE A 6 8.026 -20.174 6.133 1.00 65.23 C ATOM 95 CZ PHE A 6 8.685 -19.806 4.976 1.00 63.32 C ATOM 0 H PHE A 6 10.033 -15.744 7.424 1.00 53.31 H new ATOM 0 HA PHE A 6 7.748 -16.781 8.810 1.00 42.13 H new ATOM 0 HB2 PHE A 6 10.676 -17.621 8.712 1.00 35.32 H new ATOM 0 HB3 PHE A 6 9.421 -18.548 9.511 1.00 35.32 H new ATOM 0 HD1 PHE A 6 10.686 -17.402 6.233 1.00 61.33 H new ATOM 0 HD2 PHE A 6 7.806 -19.837 8.229 1.00 71.51 H new ATOM 0 HE1 PHE A 6 10.155 -18.521 4.111 1.00 52.03 H new ATOM 0 HE2 PHE A 6 7.278 -20.952 6.104 1.00 65.23 H new ATOM 0 HZ PHE A 6 8.453 -20.297 4.042 1.00 63.32 H new ATOM 105 N ASN A 7 8.061 -16.296 11.231 1.00 73.15 N ATOM 106 CA ASN A 7 8.148 -15.867 12.636 1.00 54.22 C ATOM 107 C ASN A 7 9.099 -16.761 13.458 1.00 24.12 C ATOM 108 O ASN A 7 9.156 -16.650 14.682 1.00 12.31 O ATOM 109 CB ASN A 7 6.754 -15.877 13.276 1.00 60.01 C ATOM 110 CG ASN A 7 5.765 -15.002 12.530 1.00 23.20 C ATOM 111 OD1 ASN A 7 5.078 -15.454 11.618 1.00 12.33 O ATOM 112 ND2 ASN A 7 5.687 -13.746 12.908 1.00 74.51 N ATOM 0 H ASN A 7 7.197 -16.784 10.996 1.00 73.15 H new ATOM 0 HA ASN A 7 8.553 -14.855 12.641 1.00 54.22 H new ATOM 0 HB2 ASN A 7 6.379 -16.900 13.305 1.00 60.01 H new ATOM 0 HB3 ASN A 7 6.829 -15.535 14.308 1.00 60.01 H new ATOM 0 HD21 ASN A 7 5.040 -13.112 12.440 1.00 74.51 H new ATOM 0 HD22 ASN A 7 6.273 -13.405 13.670 1.00 74.51 H new ATOM 119 N GLU A 8 9.844 -17.640 12.777 1.00 32.02 N ATOM 120 CA GLU A 8 10.770 -18.575 13.440 1.00 32.12 C ATOM 121 C GLU A 8 10.051 -19.487 14.448 1.00 13.23 C ATOM 122 O GLU A 8 10.623 -19.880 15.466 1.00 3.14 O ATOM 123 CB GLU A 8 11.907 -17.806 14.134 1.00 42.24 C ATOM 124 CG GLU A 8 12.883 -17.138 13.171 1.00 24.11 C ATOM 125 CD GLU A 8 13.677 -18.138 12.342 1.00 45.22 C ATOM 126 OE1 GLU A 8 14.728 -18.614 12.819 1.00 10.45 O ATOM 127 OE2 GLU A 8 13.262 -18.445 11.204 1.00 34.33 O ATOM 0 H GLU A 8 9.825 -17.726 11.761 1.00 32.02 H new ATOM 0 HA GLU A 8 11.191 -19.214 12.664 1.00 32.12 H new ATOM 0 HB2 GLU A 8 11.474 -17.044 14.782 1.00 42.24 H new ATOM 0 HB3 GLU A 8 12.459 -18.494 14.775 1.00 42.24 H new ATOM 0 HG2 GLU A 8 12.331 -16.477 12.503 1.00 24.11 H new ATOM 0 HG3 GLU A 8 13.574 -16.514 13.737 1.00 24.11 H new ATOM 134 N GLU A 9 8.807 -19.847 14.143 1.00 74.23 N ATOM 135 CA GLU A 9 8.031 -20.753 14.997 1.00 40.14 C ATOM 136 C GLU A 9 8.519 -22.205 14.839 1.00 61.53 C ATOM 137 O GLU A 9 7.840 -23.047 14.241 1.00 32.33 O ATOM 138 CB GLU A 9 6.534 -20.645 14.661 1.00 22.11 C ATOM 139 CG GLU A 9 5.975 -19.218 14.708 1.00 51.11 C ATOM 140 CD GLU A 9 5.845 -18.643 16.117 1.00 14.35 C ATOM 141 OE1 GLU A 9 6.853 -18.594 16.852 1.00 52.42 O ATOM 142 OE2 GLU A 9 4.731 -18.221 16.493 1.00 21.14 O ATOM 0 H GLU A 9 8.311 -19.527 13.311 1.00 74.23 H new ATOM 0 HA GLU A 9 8.178 -20.459 16.036 1.00 40.14 H new ATOM 0 HB2 GLU A 9 6.367 -21.055 13.665 1.00 22.11 H new ATOM 0 HB3 GLU A 9 5.972 -21.265 15.359 1.00 22.11 H new ATOM 0 HG2 GLU A 9 6.622 -18.567 14.120 1.00 51.11 H new ATOM 0 HG3 GLU A 9 4.995 -19.208 14.232 1.00 51.11 H new ATOM 149 N TRP A 10 9.722 -22.472 15.346 1.00 10.11 N ATOM 150 CA TRP A 10 10.327 -23.809 15.289 1.00 31.23 C ATOM 151 C TRP A 10 10.138 -24.543 16.624 1.00 3.24 C ATOM 152 O TRP A 10 10.497 -24.024 17.684 1.00 15.24 O ATOM 153 CB TRP A 10 11.829 -23.708 14.964 1.00 14.03 C ATOM 154 CG TRP A 10 12.137 -22.999 13.673 1.00 61.13 C ATOM 155 CD1 TRP A 10 12.467 -21.682 13.518 1.00 32.14 C ATOM 156 CD2 TRP A 10 12.157 -23.572 12.358 1.00 61.04 C ATOM 157 NE1 TRP A 10 12.679 -21.400 12.192 1.00 34.40 N ATOM 158 CE2 TRP A 10 12.496 -22.542 11.460 1.00 24.25 C ATOM 159 CE3 TRP A 10 11.917 -24.853 11.851 1.00 0.52 C ATOM 160 CZ2 TRP A 10 12.605 -22.754 10.089 1.00 53.13 C ATOM 161 CZ3 TRP A 10 12.027 -25.062 10.489 1.00 63.34 C ATOM 162 CH2 TRP A 10 12.366 -24.017 9.622 1.00 74.02 C ATOM 0 H TRP A 10 10.305 -21.773 15.807 1.00 10.11 H new ATOM 0 HA TRP A 10 9.829 -24.372 14.500 1.00 31.23 H new ATOM 0 HB2 TRP A 10 12.331 -23.187 15.780 1.00 14.03 H new ATOM 0 HB3 TRP A 10 12.248 -24.713 14.922 1.00 14.03 H new ATOM 0 HD1 TRP A 10 12.549 -20.967 14.323 1.00 32.14 H new ATOM 0 HE1 TRP A 10 12.932 -20.487 11.813 1.00 34.40 H new ATOM 0 HE3 TRP A 10 11.650 -25.665 12.512 1.00 0.52 H new ATOM 0 HZ2 TRP A 10 12.869 -21.950 9.418 1.00 53.13 H new ATOM 0 HZ3 TRP A 10 11.848 -26.048 10.087 1.00 63.34 H new ATOM 0 HH2 TRP A 10 12.440 -24.212 8.562 1.00 74.02 H new ATOM 173 N MET A 11 9.583 -25.750 16.578 1.00 32.54 N ATOM 174 CA MET A 11 9.324 -26.519 17.804 1.00 20.32 C ATOM 175 C MET A 11 9.556 -28.023 17.600 1.00 43.21 C ATOM 176 O MET A 11 9.417 -28.542 16.492 1.00 74.50 O ATOM 177 CB MET A 11 7.889 -26.262 18.290 1.00 51.22 C ATOM 178 CG MET A 11 6.821 -26.618 17.266 1.00 33.14 C ATOM 179 SD MET A 11 5.154 -26.218 17.829 1.00 63.12 S ATOM 180 CE MET A 11 5.270 -24.439 18.008 1.00 2.14 C ATOM 0 H MET A 11 9.304 -26.219 15.716 1.00 32.54 H new ATOM 0 HA MET A 11 10.031 -26.182 18.562 1.00 20.32 H new ATOM 0 HB2 MET A 11 7.714 -26.838 19.199 1.00 51.22 H new ATOM 0 HB3 MET A 11 7.788 -25.210 18.556 1.00 51.22 H new ATOM 0 HG2 MET A 11 7.023 -26.086 16.336 1.00 33.14 H new ATOM 0 HG3 MET A 11 6.879 -27.683 17.043 1.00 33.14 H new ATOM 0 HE1 MET A 11 4.271 -24.005 17.981 1.00 2.14 H new ATOM 0 HE2 MET A 11 5.744 -24.199 18.960 1.00 2.14 H new ATOM 0 HE3 MET A 11 5.866 -24.029 17.192 1.00 2.14 H new ATOM 190 N VAL A 12 9.919 -28.715 18.679 1.00 32.21 N ATOM 191 CA VAL A 12 10.145 -30.164 18.633 1.00 11.14 C ATOM 192 C VAL A 12 8.827 -30.948 18.486 1.00 70.43 C ATOM 193 O VAL A 12 7.745 -30.419 18.733 1.00 12.25 O ATOM 194 CB VAL A 12 10.901 -30.659 19.895 1.00 33.43 C ATOM 195 CG1 VAL A 12 12.264 -29.976 20.015 1.00 14.33 C ATOM 196 CG2 VAL A 12 10.069 -30.428 21.157 1.00 43.23 C ATOM 0 H VAL A 12 10.064 -28.297 19.598 1.00 32.21 H new ATOM 0 HA VAL A 12 10.759 -30.352 17.752 1.00 11.14 H new ATOM 0 HB VAL A 12 11.065 -31.731 19.789 1.00 33.43 H new ATOM 0 HG11 VAL A 12 12.775 -30.339 20.907 1.00 14.33 H new ATOM 0 HG12 VAL A 12 12.864 -30.204 19.134 1.00 14.33 H new ATOM 0 HG13 VAL A 12 12.125 -28.897 20.090 1.00 14.33 H new ATOM 0 HG21 VAL A 12 10.621 -30.783 22.027 1.00 43.23 H new ATOM 0 HG22 VAL A 12 9.864 -29.363 21.268 1.00 43.23 H new ATOM 0 HG23 VAL A 12 9.128 -30.972 21.077 1.00 43.23 H new ATOM 206 N GLU A 13 8.940 -32.220 18.103 1.00 40.20 N ATOM 207 CA GLU A 13 7.774 -33.083 17.834 1.00 44.42 C ATOM 208 C GLU A 13 6.712 -33.027 18.953 1.00 51.13 C ATOM 209 O GLU A 13 5.527 -32.806 18.686 1.00 62.25 O ATOM 210 CB GLU A 13 8.253 -34.528 17.632 1.00 23.23 C ATOM 211 CG GLU A 13 7.153 -35.507 17.230 1.00 55.45 C ATOM 212 CD GLU A 13 7.690 -36.905 16.968 1.00 3.01 C ATOM 213 OE1 GLU A 13 7.790 -37.700 17.928 1.00 75.32 O ATOM 214 OE2 GLU A 13 8.031 -37.210 15.806 1.00 53.25 O ATOM 0 H GLU A 13 9.837 -32.687 17.969 1.00 40.20 H new ATOM 0 HA GLU A 13 7.291 -32.711 16.930 1.00 44.42 H new ATOM 0 HB2 GLU A 13 9.028 -34.537 16.866 1.00 23.23 H new ATOM 0 HB3 GLU A 13 8.714 -34.878 18.556 1.00 23.23 H new ATOM 0 HG2 GLU A 13 6.403 -35.551 18.020 1.00 55.45 H new ATOM 0 HG3 GLU A 13 6.652 -35.139 16.334 1.00 55.45 H new ATOM 221 N LYS A 14 7.141 -33.221 20.201 1.00 24.42 N ATOM 222 CA LYS A 14 6.222 -33.223 21.350 1.00 23.14 C ATOM 223 C LYS A 14 5.497 -31.873 21.500 1.00 52.41 C ATOM 224 O LYS A 14 4.306 -31.831 21.796 1.00 74.12 O ATOM 225 CB LYS A 14 6.992 -33.581 22.636 1.00 51.23 C ATOM 226 CG LYS A 14 6.104 -33.923 23.840 1.00 31.03 C ATOM 227 CD LYS A 14 5.707 -32.688 24.646 1.00 73.41 C ATOM 228 CE LYS A 14 6.905 -32.067 25.354 1.00 34.02 C ATOM 229 NZ LYS A 14 6.521 -30.882 26.163 1.00 24.44 N ATOM 0 H LYS A 14 8.118 -33.379 20.446 1.00 24.42 H new ATOM 0 HA LYS A 14 5.457 -33.979 21.173 1.00 23.14 H new ATOM 0 HB2 LYS A 14 7.643 -34.430 22.429 1.00 51.23 H new ATOM 0 HB3 LYS A 14 7.636 -32.743 22.903 1.00 51.23 H new ATOM 0 HG2 LYS A 14 5.204 -34.429 23.491 1.00 31.03 H new ATOM 0 HG3 LYS A 14 6.632 -34.622 24.489 1.00 31.03 H new ATOM 0 HD2 LYS A 14 5.254 -31.951 23.983 1.00 73.41 H new ATOM 0 HD3 LYS A 14 4.951 -32.962 25.382 1.00 73.41 H new ATOM 0 HE2 LYS A 14 7.370 -32.812 26.000 1.00 34.02 H new ATOM 0 HE3 LYS A 14 7.651 -31.775 24.615 1.00 34.02 H new ATOM 0 HZ1 LYS A 14 7.365 -30.490 26.627 1.00 24.44 H new ATOM 0 HZ2 LYS A 14 6.100 -30.160 25.544 1.00 24.44 H new ATOM 0 HZ3 LYS A 14 5.828 -31.165 26.885 1.00 24.44 H new ATOM 243 N ALA A 15 6.216 -30.776 21.287 1.00 1.52 N ATOM 244 CA ALA A 15 5.617 -29.438 21.364 1.00 3.43 C ATOM 245 C ALA A 15 4.690 -29.177 20.166 1.00 0.02 C ATOM 246 O ALA A 15 3.648 -28.528 20.296 1.00 53.33 O ATOM 247 CB ALA A 15 6.711 -28.378 21.430 1.00 53.43 C ATOM 0 H ALA A 15 7.210 -30.781 21.060 1.00 1.52 H new ATOM 0 HA ALA A 15 5.016 -29.385 22.272 1.00 3.43 H new ATOM 0 HB1 ALA A 15 6.256 -27.389 21.487 1.00 53.43 H new ATOM 0 HB2 ALA A 15 7.327 -28.546 22.313 1.00 53.43 H new ATOM 0 HB3 ALA A 15 7.333 -28.441 20.537 1.00 53.43 H new ATOM 253 N LEU A 16 5.078 -29.713 19.008 1.00 50.03 N ATOM 254 CA LEU A 16 4.331 -29.537 17.759 1.00 42.33 C ATOM 255 C LEU A 16 2.903 -30.095 17.882 1.00 65.43 C ATOM 256 O LEU A 16 1.929 -29.407 17.571 1.00 64.51 O ATOM 257 CB LEU A 16 5.103 -30.218 16.605 1.00 54.42 C ATOM 258 CG LEU A 16 4.639 -29.900 15.166 1.00 73.03 C ATOM 259 CD1 LEU A 16 3.366 -30.659 14.799 1.00 74.41 C ATOM 260 CD2 LEU A 16 4.443 -28.394 14.984 1.00 32.34 C ATOM 0 H LEU A 16 5.919 -30.282 18.908 1.00 50.03 H new ATOM 0 HA LEU A 16 4.238 -28.472 17.545 1.00 42.33 H new ATOM 0 HB2 LEU A 16 6.154 -29.941 16.691 1.00 54.42 H new ATOM 0 HB3 LEU A 16 5.045 -31.297 16.749 1.00 54.42 H new ATOM 0 HG LEU A 16 5.424 -30.234 14.487 1.00 73.03 H new ATOM 0 HD11 LEU A 16 3.073 -30.407 13.780 1.00 74.41 H new ATOM 0 HD12 LEU A 16 3.548 -31.731 14.870 1.00 74.41 H new ATOM 0 HD13 LEU A 16 2.566 -30.381 15.485 1.00 74.41 H new ATOM 0 HD21 LEU A 16 4.116 -28.190 13.964 1.00 32.34 H new ATOM 0 HD22 LEU A 16 3.688 -28.038 15.685 1.00 32.34 H new ATOM 0 HD23 LEU A 16 5.385 -27.879 15.173 1.00 32.34 H new ATOM 272 N MET A 17 2.777 -31.337 18.348 1.00 70.24 N ATOM 273 CA MET A 17 1.457 -31.970 18.494 1.00 31.32 C ATOM 274 C MET A 17 0.543 -31.166 19.436 1.00 4.42 C ATOM 275 O MET A 17 -0.673 -31.106 19.241 1.00 33.24 O ATOM 276 CB MET A 17 1.604 -33.408 19.008 1.00 74.34 C ATOM 277 CG MET A 17 2.162 -33.515 20.420 1.00 3.13 C ATOM 278 SD MET A 17 2.282 -35.221 20.988 1.00 41.55 S ATOM 279 CE MET A 17 3.473 -35.886 19.821 1.00 74.55 C ATOM 0 H MET A 17 3.562 -31.924 18.630 1.00 70.24 H new ATOM 0 HA MET A 17 0.993 -31.988 17.508 1.00 31.32 H new ATOM 0 HB2 MET A 17 0.629 -33.894 18.978 1.00 74.34 H new ATOM 0 HB3 MET A 17 2.256 -33.959 18.330 1.00 74.34 H new ATOM 0 HG2 MET A 17 3.149 -33.054 20.453 1.00 3.13 H new ATOM 0 HG3 MET A 17 1.525 -32.952 21.102 1.00 3.13 H new ATOM 0 HE1 MET A 17 3.892 -36.811 20.216 1.00 74.55 H new ATOM 0 HE2 MET A 17 2.978 -36.088 18.871 1.00 74.55 H new ATOM 0 HE3 MET A 17 4.273 -35.163 19.666 1.00 74.55 H new ATOM 289 N VAL A 18 1.138 -30.540 20.448 1.00 51.12 N ATOM 290 CA VAL A 18 0.385 -29.751 21.427 1.00 51.04 C ATOM 291 C VAL A 18 -0.141 -28.441 20.812 1.00 5.11 C ATOM 292 O VAL A 18 -1.289 -28.050 21.036 1.00 30.33 O ATOM 293 CB VAL A 18 1.260 -29.426 22.668 1.00 31.33 C ATOM 294 CG1 VAL A 18 0.484 -28.597 23.694 1.00 22.03 C ATOM 295 CG2 VAL A 18 1.795 -30.714 23.301 1.00 50.11 C ATOM 0 H VAL A 18 2.144 -30.562 20.614 1.00 51.12 H new ATOM 0 HA VAL A 18 -0.467 -30.355 21.738 1.00 51.04 H new ATOM 0 HB VAL A 18 2.108 -28.828 22.334 1.00 31.33 H new ATOM 0 HG11 VAL A 18 1.124 -28.386 24.551 1.00 22.03 H new ATOM 0 HG12 VAL A 18 0.167 -27.659 23.239 1.00 22.03 H new ATOM 0 HG13 VAL A 18 -0.392 -29.155 24.024 1.00 22.03 H new ATOM 0 HG21 VAL A 18 2.406 -30.466 24.169 1.00 50.11 H new ATOM 0 HG22 VAL A 18 0.959 -31.341 23.612 1.00 50.11 H new ATOM 0 HG23 VAL A 18 2.401 -31.253 22.573 1.00 50.11 H new ATOM 305 N ARG A 19 0.701 -27.776 20.024 1.00 43.21 N ATOM 306 CA ARG A 19 0.353 -26.478 19.430 1.00 54.44 C ATOM 307 C ARG A 19 -0.433 -26.610 18.114 1.00 24.53 C ATOM 308 O ARG A 19 -0.922 -25.612 17.579 1.00 51.12 O ATOM 309 CB ARG A 19 1.629 -25.654 19.207 1.00 32.31 C ATOM 310 CG ARG A 19 2.302 -25.212 20.510 1.00 34.31 C ATOM 311 CD ARG A 19 1.689 -23.930 21.088 1.00 53.41 C ATOM 312 NE ARG A 19 0.233 -23.866 20.925 1.00 50.32 N ATOM 313 CZ ARG A 19 -0.634 -23.923 21.903 1.00 73.01 C ATOM 314 NH1 ARG A 19 -0.255 -24.098 23.129 1.00 10.24 N ATOM 315 NH2 ARG A 19 -1.895 -23.814 21.642 1.00 10.13 N ATOM 0 H ARG A 19 1.632 -28.112 19.779 1.00 43.21 H new ATOM 0 HA ARG A 19 -0.304 -25.968 20.134 1.00 54.44 H new ATOM 0 HB2 ARG A 19 2.336 -26.243 18.623 1.00 32.31 H new ATOM 0 HB3 ARG A 19 1.384 -24.772 18.615 1.00 32.31 H new ATOM 0 HG2 ARG A 19 2.221 -26.012 21.246 1.00 34.31 H new ATOM 0 HG3 ARG A 19 3.365 -25.052 20.329 1.00 34.31 H new ATOM 0 HD2 ARG A 19 1.933 -23.863 22.148 1.00 53.41 H new ATOM 0 HD3 ARG A 19 2.142 -23.066 20.601 1.00 53.41 H new ATOM 0 HE ARG A 19 -0.131 -23.770 19.977 1.00 50.32 H new ATOM 0 HH11 ARG A 19 0.737 -24.194 23.347 1.00 10.24 H new ATOM 0 HH12 ARG A 19 -0.948 -24.139 23.876 1.00 10.24 H new ATOM 0 HH21 ARG A 19 -2.207 -23.685 20.680 1.00 10.13 H new ATOM 0 HH22 ARG A 19 -2.578 -23.857 22.398 1.00 10.13 H new ATOM 329 N THR A 20 -0.548 -27.830 17.590 1.00 31.41 N ATOM 330 CA THR A 20 -1.314 -28.074 16.353 1.00 31.05 C ATOM 331 C THR A 20 -2.609 -28.855 16.617 1.00 72.13 C ATOM 332 O THR A 20 -3.598 -28.690 15.900 1.00 30.20 O ATOM 333 CB THR A 20 -0.489 -28.862 15.312 1.00 44.31 C ATOM 334 OG1 THR A 20 -0.136 -30.149 15.840 1.00 74.12 O ATOM 335 CG2 THR A 20 0.770 -28.102 14.916 1.00 62.32 C ATOM 0 H THR A 20 -0.125 -28.665 17.995 1.00 31.41 H new ATOM 0 HA THR A 20 -1.557 -27.085 15.963 1.00 31.05 H new ATOM 0 HB THR A 20 -1.103 -28.990 14.421 1.00 44.31 H new ATOM 0 HG1 THR A 20 0.609 -30.051 16.469 1.00 74.12 H new ATOM 0 HG21 THR A 20 1.330 -28.682 14.182 1.00 62.32 H new ATOM 0 HG22 THR A 20 0.494 -27.140 14.484 1.00 62.32 H new ATOM 0 HG23 THR A 20 1.389 -27.939 15.798 1.00 62.32 H new ATOM 343 N GLY A 21 -2.598 -29.708 17.642 1.00 52.40 N ATOM 344 CA GLY A 21 -3.754 -30.554 17.936 1.00 41.24 C ATOM 345 C GLY A 21 -3.626 -31.959 17.348 1.00 15.11 C ATOM 346 O GLY A 21 -4.460 -32.831 17.607 1.00 4.51 O ATOM 0 H GLY A 21 -1.809 -29.831 18.277 1.00 52.40 H new ATOM 0 HA2 GLY A 21 -3.879 -30.627 19.016 1.00 41.24 H new ATOM 0 HA3 GLY A 21 -4.654 -30.081 17.542 1.00 41.24 H new ATOM 350 N LEU A 22 -2.579 -32.179 16.551 1.00 52.41 N ATOM 351 CA LEU A 22 -2.321 -33.490 15.938 1.00 1.41 C ATOM 352 C LEU A 22 -1.799 -34.501 16.967 1.00 63.13 C ATOM 353 O LEU A 22 -1.250 -34.126 18.003 1.00 72.42 O ATOM 354 CB LEU A 22 -1.307 -33.360 14.783 1.00 54.12 C ATOM 355 CG LEU A 22 -1.874 -32.851 13.444 1.00 62.43 C ATOM 356 CD1 LEU A 22 -2.532 -31.480 13.598 1.00 4.21 C ATOM 357 CD2 LEU A 22 -0.778 -32.807 12.380 1.00 71.32 C ATOM 0 H LEU A 22 -1.891 -31.465 16.312 1.00 52.41 H new ATOM 0 HA LEU A 22 -3.270 -33.856 15.547 1.00 1.41 H new ATOM 0 HB2 LEU A 22 -0.511 -32.685 15.098 1.00 54.12 H new ATOM 0 HB3 LEU A 22 -0.850 -34.335 14.615 1.00 54.12 H new ATOM 0 HG LEU A 22 -2.644 -33.552 13.122 1.00 62.43 H new ATOM 0 HD11 LEU A 22 -2.921 -31.153 12.634 1.00 4.21 H new ATOM 0 HD12 LEU A 22 -3.350 -31.548 14.315 1.00 4.21 H new ATOM 0 HD13 LEU A 22 -1.795 -30.761 13.955 1.00 4.21 H new ATOM 0 HD21 LEU A 22 -1.197 -32.445 11.441 1.00 71.32 H new ATOM 0 HD22 LEU A 22 0.018 -32.136 12.705 1.00 71.32 H new ATOM 0 HD23 LEU A 22 -0.372 -33.808 12.234 1.00 71.32 H new ATOM 369 N GLY A 23 -1.968 -35.786 16.667 1.00 34.21 N ATOM 370 CA GLY A 23 -1.484 -36.836 17.553 1.00 24.11 C ATOM 371 C GLY A 23 -0.145 -37.412 17.114 1.00 62.15 C ATOM 372 O GLY A 23 0.242 -37.284 15.950 1.00 50.12 O ATOM 0 H GLY A 23 -2.433 -36.122 15.823 1.00 34.21 H new ATOM 0 HA2 GLY A 23 -1.388 -36.437 18.563 1.00 24.11 H new ATOM 0 HA3 GLY A 23 -2.222 -37.637 17.596 1.00 24.11 H new ATOM 376 N ALA A 24 0.552 -38.068 18.041 1.00 14.54 N ATOM 377 CA ALA A 24 1.867 -38.658 17.760 1.00 53.43 C ATOM 378 C ALA A 24 1.849 -39.543 16.500 1.00 62.53 C ATOM 379 O ALA A 24 2.710 -39.414 15.627 1.00 62.40 O ATOM 380 CB ALA A 24 2.346 -39.456 18.967 1.00 63.22 C ATOM 0 H ALA A 24 0.229 -38.206 18.998 1.00 14.54 H new ATOM 0 HA ALA A 24 2.562 -37.841 17.566 1.00 53.43 H new ATOM 0 HB1 ALA A 24 3.322 -39.891 18.752 1.00 63.22 H new ATOM 0 HB2 ALA A 24 2.425 -38.796 19.831 1.00 63.22 H new ATOM 0 HB3 ALA A 24 1.634 -40.252 19.183 1.00 63.22 H new ATOM 386 N ARG A 25 0.846 -40.418 16.397 1.00 43.02 N ATOM 387 CA ARG A 25 0.728 -41.330 15.250 1.00 42.25 C ATOM 388 C ARG A 25 0.432 -40.568 13.944 1.00 53.13 C ATOM 389 O ARG A 25 0.786 -41.016 12.854 1.00 21.42 O ATOM 390 CB ARG A 25 -0.363 -42.380 15.501 1.00 60.51 C ATOM 391 CG ARG A 25 -1.750 -41.791 15.752 1.00 61.13 C ATOM 392 CD ARG A 25 -2.827 -42.873 15.787 1.00 43.33 C ATOM 393 NE ARG A 25 -4.149 -42.332 16.108 1.00 44.14 N ATOM 394 CZ ARG A 25 -5.260 -42.683 15.510 1.00 75.35 C ATOM 395 NH1 ARG A 25 -5.251 -43.542 14.540 1.00 4.13 N ATOM 396 NH2 ARG A 25 -6.386 -42.168 15.888 1.00 54.33 N ATOM 0 H ARG A 25 0.104 -40.517 17.090 1.00 43.02 H new ATOM 0 HA ARG A 25 1.688 -41.833 15.138 1.00 42.25 H new ATOM 0 HB2 ARG A 25 -0.414 -43.048 14.641 1.00 60.51 H new ATOM 0 HB3 ARG A 25 -0.077 -42.987 16.360 1.00 60.51 H new ATOM 0 HG2 ARG A 25 -1.749 -41.248 16.697 1.00 61.13 H new ATOM 0 HG3 ARG A 25 -1.985 -41.069 14.970 1.00 61.13 H new ATOM 0 HD2 ARG A 25 -2.867 -43.374 14.820 1.00 43.33 H new ATOM 0 HD3 ARG A 25 -2.557 -43.628 16.526 1.00 43.33 H new ATOM 0 HE ARG A 25 -4.209 -41.633 16.849 1.00 44.14 H new ATOM 0 HH11 ARG A 25 -4.370 -43.955 14.232 1.00 4.13 H new ATOM 0 HH12 ARG A 25 -6.125 -43.805 14.084 1.00 4.13 H new ATOM 0 HH21 ARG A 25 -6.407 -41.490 16.650 1.00 54.33 H new ATOM 0 HH22 ARG A 25 -7.253 -42.440 15.424 1.00 54.33 H new ATOM 410 N GLN A 26 -0.209 -39.409 14.064 1.00 62.34 N ATOM 411 CA GLN A 26 -0.563 -38.603 12.892 1.00 33.43 C ATOM 412 C GLN A 26 0.672 -37.870 12.346 1.00 13.40 C ATOM 413 O GLN A 26 0.841 -37.722 11.134 1.00 41.24 O ATOM 414 CB GLN A 26 -1.663 -37.591 13.252 1.00 20.32 C ATOM 415 CG GLN A 26 -2.395 -37.026 12.041 1.00 4.21 C ATOM 416 CD GLN A 26 -3.406 -35.953 12.406 1.00 43.13 C ATOM 417 OE1 GLN A 26 -3.953 -35.937 13.504 1.00 12.43 O ATOM 418 NE2 GLN A 26 -3.675 -35.057 11.479 1.00 5.04 N ATOM 0 H GLN A 26 -0.495 -39.005 14.956 1.00 62.34 H new ATOM 0 HA GLN A 26 -0.940 -39.271 12.118 1.00 33.43 H new ATOM 0 HB2 GLN A 26 -2.386 -38.072 13.911 1.00 20.32 H new ATOM 0 HB3 GLN A 26 -1.219 -36.769 13.813 1.00 20.32 H new ATOM 0 HG2 GLN A 26 -1.667 -36.610 11.345 1.00 4.21 H new ATOM 0 HG3 GLN A 26 -2.906 -37.837 11.521 1.00 4.21 H new ATOM 0 HE21 GLN A 26 -3.202 -35.099 10.576 1.00 5.04 H new ATOM 0 HE22 GLN A 26 -4.356 -34.321 11.664 1.00 5.04 H new ATOM 427 N ILE A 27 1.537 -37.421 13.252 1.00 40.30 N ATOM 428 CA ILE A 27 2.772 -36.729 12.869 1.00 42.34 C ATOM 429 C ILE A 27 3.760 -37.684 12.179 1.00 71.23 C ATOM 430 O ILE A 27 4.238 -37.399 11.080 1.00 60.34 O ATOM 431 CB ILE A 27 3.461 -36.075 14.094 1.00 51.42 C ATOM 432 CG1 ILE A 27 2.512 -35.069 14.767 1.00 0.41 C ATOM 433 CG2 ILE A 27 4.766 -35.386 13.686 1.00 52.24 C ATOM 434 CD1 ILE A 27 3.119 -34.361 15.961 1.00 63.31 C ATOM 0 H ILE A 27 1.408 -37.523 14.259 1.00 40.30 H new ATOM 0 HA ILE A 27 2.486 -35.946 12.166 1.00 42.34 H new ATOM 0 HB ILE A 27 3.702 -36.862 14.808 1.00 51.42 H new ATOM 0 HG12 ILE A 27 2.206 -34.325 14.032 1.00 0.41 H new ATOM 0 HG13 ILE A 27 1.610 -35.592 15.086 1.00 0.41 H new ATOM 0 HG21 ILE A 27 5.229 -34.935 14.564 1.00 52.24 H new ATOM 0 HG22 ILE A 27 5.446 -36.121 13.254 1.00 52.24 H new ATOM 0 HG23 ILE A 27 4.553 -34.611 12.950 1.00 52.24 H new ATOM 0 HD11 ILE A 27 2.391 -33.668 16.382 1.00 63.31 H new ATOM 0 HD12 ILE A 27 3.400 -35.096 16.716 1.00 63.31 H new ATOM 0 HD13 ILE A 27 4.004 -33.809 15.645 1.00 63.31 H new ATOM 446 N GLU A 28 4.057 -38.821 12.824 1.00 45.21 N ATOM 447 CA GLU A 28 4.992 -39.811 12.260 1.00 74.21 C ATOM 448 C GLU A 28 4.572 -40.236 10.843 1.00 74.45 C ATOM 449 O GLU A 28 5.415 -40.440 9.967 1.00 24.11 O ATOM 450 CB GLU A 28 5.108 -41.044 13.171 1.00 2.13 C ATOM 451 CG GLU A 28 3.790 -41.769 13.409 1.00 0.13 C ATOM 452 CD GLU A 28 3.959 -43.063 14.189 1.00 3.53 C ATOM 453 OE1 GLU A 28 4.191 -43.004 15.415 1.00 13.03 O ATOM 454 OE2 GLU A 28 3.851 -44.149 13.581 1.00 5.25 O ATOM 0 H GLU A 28 3.668 -39.079 13.731 1.00 45.21 H new ATOM 0 HA GLU A 28 5.970 -39.333 12.197 1.00 74.21 H new ATOM 0 HB2 GLU A 28 5.820 -41.742 12.730 1.00 2.13 H new ATOM 0 HB3 GLU A 28 5.519 -40.735 14.132 1.00 2.13 H new ATOM 0 HG2 GLU A 28 3.111 -41.110 13.951 1.00 0.13 H new ATOM 0 HG3 GLU A 28 3.323 -41.988 12.449 1.00 0.13 H new ATOM 461 N SER A 29 3.263 -40.351 10.628 1.00 63.44 N ATOM 462 CA SER A 29 2.711 -40.647 9.300 1.00 53.02 C ATOM 463 C SER A 29 3.146 -39.593 8.274 1.00 53.43 C ATOM 464 O SER A 29 3.711 -39.921 7.229 1.00 60.13 O ATOM 465 CB SER A 29 1.177 -40.704 9.360 1.00 20.34 C ATOM 466 OG SER A 29 0.607 -40.867 8.068 1.00 3.44 O ATOM 0 H SER A 29 2.559 -40.244 11.358 1.00 63.44 H new ATOM 0 HA SER A 29 3.097 -41.617 8.987 1.00 53.02 H new ATOM 0 HB2 SER A 29 0.868 -41.530 10.001 1.00 20.34 H new ATOM 0 HB3 SER A 29 0.796 -39.789 9.813 1.00 20.34 H new ATOM 0 HG SER A 29 -0.370 -40.901 8.143 1.00 3.44 H new ATOM 472 N TYR A 30 2.898 -38.324 8.590 1.00 71.33 N ATOM 473 CA TYR A 30 3.244 -37.216 7.689 1.00 20.24 C ATOM 474 C TYR A 30 4.769 -37.086 7.494 1.00 34.21 C ATOM 475 O TYR A 30 5.240 -36.671 6.427 1.00 75.34 O ATOM 476 CB TYR A 30 2.666 -35.899 8.227 1.00 72.31 C ATOM 477 CG TYR A 30 1.150 -35.885 8.366 1.00 74.21 C ATOM 478 CD1 TYR A 30 0.350 -36.798 7.680 1.00 53.33 C ATOM 479 CD2 TYR A 30 0.520 -34.954 9.185 1.00 21.21 C ATOM 480 CE1 TYR A 30 -1.027 -36.777 7.805 1.00 12.01 C ATOM 481 CE2 TYR A 30 -0.857 -34.928 9.313 1.00 23.42 C ATOM 482 CZ TYR A 30 -1.626 -35.841 8.622 1.00 31.42 C ATOM 483 OH TYR A 30 -3.000 -35.821 8.752 1.00 12.24 O ATOM 0 H TYR A 30 2.458 -38.032 9.463 1.00 71.33 H new ATOM 0 HA TYR A 30 2.806 -37.435 6.715 1.00 20.24 H new ATOM 0 HB2 TYR A 30 3.109 -35.693 9.201 1.00 72.31 H new ATOM 0 HB3 TYR A 30 2.965 -35.088 7.563 1.00 72.31 H new ATOM 0 HD1 TYR A 30 0.814 -37.534 7.040 1.00 53.33 H new ATOM 0 HD2 TYR A 30 1.117 -34.238 9.731 1.00 21.21 H new ATOM 0 HE1 TYR A 30 -1.631 -37.491 7.265 1.00 12.01 H new ATOM 0 HE2 TYR A 30 -1.328 -34.196 9.952 1.00 23.42 H new ATOM 0 HH TYR A 30 -3.353 -36.728 8.635 1.00 12.24 H new ATOM 493 N ARG A 31 5.537 -37.451 8.524 1.00 44.04 N ATOM 494 CA ARG A 31 7.008 -37.415 8.454 1.00 21.24 C ATOM 495 C ARG A 31 7.547 -38.335 7.342 1.00 34.31 C ATOM 496 O ARG A 31 8.649 -38.128 6.837 1.00 21.00 O ATOM 497 CB ARG A 31 7.626 -37.823 9.807 1.00 52.12 C ATOM 498 CG ARG A 31 7.282 -36.881 10.962 1.00 24.21 C ATOM 499 CD ARG A 31 7.742 -37.420 12.323 1.00 2.45 C ATOM 500 NE ARG A 31 9.183 -37.280 12.554 1.00 35.02 N ATOM 501 CZ ARG A 31 10.077 -38.189 12.263 1.00 72.11 C ATOM 502 NH1 ARG A 31 9.736 -39.283 11.661 1.00 31.32 N ATOM 503 NH2 ARG A 31 11.316 -38.012 12.596 1.00 45.21 N ATOM 0 H ARG A 31 5.169 -37.775 9.418 1.00 44.04 H new ATOM 0 HA ARG A 31 7.295 -36.390 8.219 1.00 21.24 H new ATOM 0 HB2 ARG A 31 7.288 -38.828 10.060 1.00 52.12 H new ATOM 0 HB3 ARG A 31 8.710 -37.868 9.700 1.00 52.12 H new ATOM 0 HG2 ARG A 31 7.746 -35.911 10.785 1.00 24.21 H new ATOM 0 HG3 ARG A 31 6.204 -36.720 10.985 1.00 24.21 H new ATOM 0 HD2 ARG A 31 7.203 -36.896 13.113 1.00 2.45 H new ATOM 0 HD3 ARG A 31 7.471 -38.473 12.397 1.00 2.45 H new ATOM 0 HE ARG A 31 9.512 -36.410 12.972 1.00 35.02 H new ATOM 0 HH11 ARG A 31 8.761 -39.443 11.408 1.00 31.32 H new ATOM 0 HH12 ARG A 31 10.442 -39.985 11.439 1.00 31.32 H new ATOM 0 HH21 ARG A 31 11.596 -37.162 13.086 1.00 45.21 H new ATOM 0 HH22 ARG A 31 12.012 -38.722 12.368 1.00 45.21 H new ATOM 517 N GLN A 32 6.756 -39.339 6.957 1.00 35.13 N ATOM 518 CA GLN A 32 7.191 -40.341 5.972 1.00 43.04 C ATOM 519 C GLN A 32 6.842 -39.961 4.518 1.00 43.32 C ATOM 520 O GLN A 32 7.294 -40.627 3.583 1.00 25.41 O ATOM 521 CB GLN A 32 6.566 -41.704 6.300 1.00 20.45 C ATOM 522 CG GLN A 32 6.996 -42.275 7.646 1.00 42.22 C ATOM 523 CD GLN A 32 6.350 -43.618 7.950 1.00 50.24 C ATOM 524 OE1 GLN A 32 5.229 -43.897 7.530 1.00 53.31 O ATOM 525 NE2 GLN A 32 7.051 -44.466 8.670 1.00 52.04 N ATOM 0 H GLN A 32 5.810 -39.483 7.310 1.00 35.13 H new ATOM 0 HA GLN A 32 8.278 -40.387 6.041 1.00 43.04 H new ATOM 0 HB2 GLN A 32 5.480 -41.607 6.288 1.00 20.45 H new ATOM 0 HB3 GLN A 32 6.831 -42.412 5.515 1.00 20.45 H new ATOM 0 HG2 GLN A 32 8.080 -42.387 7.658 1.00 42.22 H new ATOM 0 HG3 GLN A 32 6.740 -41.567 8.434 1.00 42.22 H new ATOM 0 HE21 GLN A 32 7.979 -44.206 9.004 1.00 52.04 H new ATOM 0 HE22 GLN A 32 6.667 -45.384 8.894 1.00 52.04 H new ATOM 534 N GLY A 33 6.042 -38.909 4.313 1.00 64.31 N ATOM 535 CA GLY A 33 5.618 -38.571 2.947 1.00 63.12 C ATOM 536 C GLY A 33 5.228 -37.111 2.717 1.00 32.23 C ATOM 537 O GLY A 33 4.697 -36.772 1.656 1.00 32.53 O ATOM 0 H GLY A 33 5.685 -38.295 5.045 1.00 64.31 H new ATOM 0 HA2 GLY A 33 6.427 -38.824 2.262 1.00 63.12 H new ATOM 0 HA3 GLY A 33 4.768 -39.201 2.684 1.00 63.12 H new ATOM 541 N ALA A 34 5.478 -36.243 3.685 1.00 5.44 N ATOM 542 CA ALA A 34 5.137 -34.817 3.544 1.00 51.02 C ATOM 543 C ALA A 34 6.239 -33.907 4.106 1.00 22.41 C ATOM 544 O ALA A 34 6.424 -32.772 3.656 1.00 52.24 O ATOM 545 CB ALA A 34 3.805 -34.530 4.233 1.00 24.31 C ATOM 0 H ALA A 34 5.912 -36.489 4.575 1.00 5.44 H new ATOM 0 HA ALA A 34 5.048 -34.598 2.480 1.00 51.02 H new ATOM 0 HB1 ALA A 34 3.559 -33.474 4.125 1.00 24.31 H new ATOM 0 HB2 ALA A 34 3.021 -35.134 3.775 1.00 24.31 H new ATOM 0 HB3 ALA A 34 3.882 -34.778 5.292 1.00 24.31 H new ATOM 551 N TRP A 35 6.968 -34.405 5.094 1.00 52.22 N ATOM 552 CA TRP A 35 8.018 -33.620 5.748 1.00 71.53 C ATOM 553 C TRP A 35 9.259 -33.431 4.851 1.00 61.35 C ATOM 554 O TRP A 35 9.767 -34.376 4.244 1.00 12.44 O ATOM 555 CB TRP A 35 8.401 -34.267 7.084 1.00 75.40 C ATOM 556 CG TRP A 35 7.576 -33.808 8.266 1.00 22.10 C ATOM 557 CD1 TRP A 35 8.003 -33.747 9.561 1.00 22.13 C ATOM 558 CD2 TRP A 35 6.208 -33.343 8.280 1.00 22.20 C ATOM 559 NE1 TRP A 35 6.998 -33.292 10.375 1.00 41.00 N ATOM 560 CE2 TRP A 35 5.891 -33.033 9.618 1.00 41.12 C ATOM 561 CE3 TRP A 35 5.222 -33.159 7.305 1.00 3.23 C ATOM 562 CZ2 TRP A 35 4.642 -32.554 9.999 1.00 64.41 C ATOM 563 CZ3 TRP A 35 3.983 -32.682 7.685 1.00 42.34 C ATOM 564 CH2 TRP A 35 3.701 -32.384 9.021 1.00 60.32 C ATOM 0 H TRP A 35 6.856 -35.349 5.464 1.00 52.22 H new ATOM 0 HA TRP A 35 7.616 -32.624 5.934 1.00 71.53 H new ATOM 0 HB2 TRP A 35 8.306 -35.349 6.989 1.00 75.40 H new ATOM 0 HB3 TRP A 35 9.451 -34.056 7.287 1.00 75.40 H new ATOM 0 HD1 TRP A 35 8.993 -34.019 9.897 1.00 22.13 H new ATOM 0 HE1 TRP A 35 7.066 -33.167 11.385 1.00 41.00 H new ATOM 0 HE3 TRP A 35 5.427 -33.387 6.269 1.00 3.23 H new ATOM 0 HZ2 TRP A 35 4.423 -32.324 11.031 1.00 64.41 H new ATOM 0 HZ3 TRP A 35 3.218 -32.537 6.936 1.00 42.34 H new ATOM 0 HH2 TRP A 35 2.722 -32.013 9.286 1.00 60.32 H new ATOM 575 N ILE A 36 9.737 -32.186 4.789 1.00 21.14 N ATOM 576 CA ILE A 36 10.886 -31.808 3.950 1.00 50.41 C ATOM 577 C ILE A 36 11.808 -30.842 4.711 1.00 71.24 C ATOM 578 O ILE A 36 11.346 -29.812 5.213 1.00 10.22 O ATOM 579 CB ILE A 36 10.425 -31.106 2.643 1.00 14.11 C ATOM 580 CG1 ILE A 36 9.447 -31.996 1.858 1.00 11.41 C ATOM 581 CG2 ILE A 36 11.631 -30.734 1.777 1.00 70.14 C ATOM 582 CD1 ILE A 36 8.918 -31.355 0.592 1.00 13.22 C ATOM 0 H ILE A 36 9.341 -31.409 5.318 1.00 21.14 H new ATOM 0 HA ILE A 36 11.418 -32.726 3.701 1.00 50.41 H new ATOM 0 HB ILE A 36 9.903 -30.189 2.917 1.00 14.11 H new ATOM 0 HG12 ILE A 36 9.947 -32.929 1.600 1.00 11.41 H new ATOM 0 HG13 ILE A 36 8.606 -32.253 2.503 1.00 11.41 H new ATOM 0 HG21 ILE A 36 11.287 -30.243 0.866 1.00 70.14 H new ATOM 0 HG22 ILE A 36 12.281 -30.057 2.331 1.00 70.14 H new ATOM 0 HG23 ILE A 36 12.184 -31.636 1.517 1.00 70.14 H new ATOM 0 HD11 ILE A 36 8.235 -32.043 0.094 1.00 13.22 H new ATOM 0 HD12 ILE A 36 8.388 -30.436 0.843 1.00 13.22 H new ATOM 0 HD13 ILE A 36 9.750 -31.124 -0.074 1.00 13.22 H new ATOM 594 N GLU A 37 13.100 -31.164 4.802 1.00 4.24 N ATOM 595 CA GLU A 37 14.052 -30.275 5.481 1.00 14.45 C ATOM 596 C GLU A 37 14.295 -28.997 4.659 1.00 4.02 C ATOM 597 O GLU A 37 14.386 -29.032 3.430 1.00 41.33 O ATOM 598 CB GLU A 37 15.375 -30.995 5.790 1.00 43.32 C ATOM 599 CG GLU A 37 16.146 -31.484 4.570 1.00 31.04 C ATOM 600 CD GLU A 37 17.458 -32.156 4.952 1.00 14.10 C ATOM 601 OE1 GLU A 37 18.374 -31.450 5.423 1.00 24.34 O ATOM 602 OE2 GLU A 37 17.576 -33.391 4.793 1.00 13.41 O ATOM 0 H GLU A 37 13.509 -32.018 4.422 1.00 4.24 H new ATOM 0 HA GLU A 37 13.609 -29.984 6.433 1.00 14.45 H new ATOM 0 HB2 GLU A 37 16.015 -30.319 6.357 1.00 43.32 H new ATOM 0 HB3 GLU A 37 15.164 -31.849 6.433 1.00 43.32 H new ATOM 0 HG2 GLU A 37 15.529 -32.187 4.010 1.00 31.04 H new ATOM 0 HG3 GLU A 37 16.350 -30.642 3.909 1.00 31.04 H new ATOM 609 N GLY A 38 14.381 -27.865 5.351 1.00 53.51 N ATOM 610 CA GLY A 38 14.433 -26.568 4.685 1.00 35.54 C ATOM 611 C GLY A 38 13.042 -25.972 4.448 1.00 10.44 C ATOM 612 O GLY A 38 12.908 -24.782 4.160 1.00 30.50 O ATOM 0 H GLY A 38 14.416 -27.819 6.369 1.00 53.51 H new ATOM 0 HA2 GLY A 38 15.022 -25.877 5.288 1.00 35.54 H new ATOM 0 HA3 GLY A 38 14.946 -26.675 3.729 1.00 35.54 H new ATOM 616 N VAL A 39 12.002 -26.804 4.574 1.00 71.11 N ATOM 617 CA VAL A 39 10.615 -26.368 4.348 1.00 31.24 C ATOM 618 C VAL A 39 9.724 -26.644 5.577 1.00 60.23 C ATOM 619 O VAL A 39 9.360 -25.725 6.310 1.00 34.24 O ATOM 620 CB VAL A 39 10.005 -27.067 3.101 1.00 13.34 C ATOM 621 CG1 VAL A 39 8.584 -26.569 2.837 1.00 3.11 C ATOM 622 CG2 VAL A 39 10.895 -26.861 1.872 1.00 31.42 C ATOM 0 H VAL A 39 12.093 -27.787 4.832 1.00 71.11 H new ATOM 0 HA VAL A 39 10.647 -25.292 4.176 1.00 31.24 H new ATOM 0 HB VAL A 39 9.953 -28.137 3.304 1.00 13.34 H new ATOM 0 HG11 VAL A 39 8.179 -27.073 1.959 1.00 3.11 H new ATOM 0 HG12 VAL A 39 7.956 -26.785 3.702 1.00 3.11 H new ATOM 0 HG13 VAL A 39 8.602 -25.493 2.662 1.00 3.11 H new ATOM 0 HG21 VAL A 39 10.448 -27.359 1.012 1.00 31.42 H new ATOM 0 HG22 VAL A 39 10.989 -25.795 1.666 1.00 31.42 H new ATOM 0 HG23 VAL A 39 11.882 -27.282 2.063 1.00 31.42 H new ATOM 632 N HIS A 40 9.389 -27.919 5.808 1.00 51.40 N ATOM 633 CA HIS A 40 8.511 -28.300 6.930 1.00 44.51 C ATOM 634 C HIS A 40 9.300 -28.509 8.237 1.00 52.44 C ATOM 635 O HIS A 40 8.712 -28.642 9.308 1.00 74.35 O ATOM 636 CB HIS A 40 7.708 -29.570 6.584 1.00 33.24 C ATOM 637 CG HIS A 40 6.687 -29.366 5.497 1.00 41.24 C ATOM 638 ND1 HIS A 40 6.636 -30.111 4.331 1.00 44.40 N ATOM 639 CD2 HIS A 40 5.667 -28.484 5.409 1.00 63.32 C ATOM 640 CE1 HIS A 40 5.637 -29.683 3.582 1.00 72.41 C ATOM 641 NE2 HIS A 40 5.034 -28.699 4.213 1.00 32.42 N ATOM 0 H HIS A 40 9.708 -28.703 5.239 1.00 51.40 H new ATOM 0 HA HIS A 40 7.819 -27.473 7.092 1.00 44.51 H new ATOM 0 HB2 HIS A 40 8.400 -30.354 6.277 1.00 33.24 H new ATOM 0 HB3 HIS A 40 7.203 -29.925 7.482 1.00 33.24 H new ATOM 0 HD1 HIS A 40 7.271 -30.872 4.089 1.00 44.40 H new ATOM 0 HD2 HIS A 40 5.399 -27.743 6.148 1.00 63.32 H new ATOM 0 HE1 HIS A 40 5.361 -30.075 2.614 1.00 72.41 H new ATOM 650 N PHE A 41 10.626 -28.545 8.134 1.00 21.33 N ATOM 651 CA PHE A 41 11.512 -28.661 9.304 1.00 1.40 C ATOM 652 C PHE A 41 12.967 -28.439 8.879 1.00 52.15 C ATOM 653 O PHE A 41 13.237 -28.221 7.702 1.00 21.11 O ATOM 654 CB PHE A 41 11.368 -30.041 9.975 1.00 10.24 C ATOM 655 CG PHE A 41 11.922 -31.196 9.168 1.00 75.53 C ATOM 656 CD1 PHE A 41 11.138 -31.853 8.229 1.00 71.34 C ATOM 657 CD2 PHE A 41 13.229 -31.631 9.359 1.00 5.42 C ATOM 658 CE1 PHE A 41 11.645 -32.914 7.504 1.00 33.30 C ATOM 659 CE2 PHE A 41 13.737 -32.691 8.633 1.00 50.21 C ATOM 660 CZ PHE A 41 12.943 -33.332 7.704 1.00 55.31 C ATOM 0 H PHE A 41 11.121 -28.495 7.244 1.00 21.33 H new ATOM 0 HA PHE A 41 11.223 -27.898 10.027 1.00 1.40 H new ATOM 0 HB2 PHE A 41 11.873 -30.015 10.941 1.00 10.24 H new ATOM 0 HB3 PHE A 41 10.312 -30.226 10.172 1.00 10.24 H new ATOM 0 HD1 PHE A 41 10.120 -31.531 8.064 1.00 71.34 H new ATOM 0 HD2 PHE A 41 13.855 -31.133 10.085 1.00 5.42 H new ATOM 0 HE1 PHE A 41 11.023 -33.417 6.779 1.00 33.30 H new ATOM 0 HE2 PHE A 41 14.754 -33.017 8.792 1.00 50.21 H new ATOM 0 HZ PHE A 41 13.338 -34.160 7.134 1.00 55.31 H new ATOM 670 N LYS A 42 13.897 -28.492 9.829 1.00 54.13 N ATOM 671 CA LYS A 42 15.327 -28.450 9.499 1.00 23.31 C ATOM 672 C LYS A 42 16.180 -29.057 10.625 1.00 64.40 C ATOM 673 O LYS A 42 15.814 -28.999 11.801 1.00 54.04 O ATOM 674 CB LYS A 42 15.773 -27.010 9.184 1.00 72.44 C ATOM 675 CG LYS A 42 15.920 -26.096 10.400 1.00 71.34 C ATOM 676 CD LYS A 42 16.052 -24.627 9.983 1.00 13.14 C ATOM 677 CE LYS A 42 16.634 -23.763 11.094 1.00 71.32 C ATOM 678 NZ LYS A 42 18.085 -24.023 11.289 1.00 74.12 N ATOM 0 H LYS A 42 13.693 -28.563 10.826 1.00 54.13 H new ATOM 0 HA LYS A 42 15.481 -29.057 8.607 1.00 23.31 H new ATOM 0 HB2 LYS A 42 16.728 -27.048 8.660 1.00 72.44 H new ATOM 0 HB3 LYS A 42 15.052 -26.564 8.499 1.00 72.44 H new ATOM 0 HG2 LYS A 42 15.055 -26.214 11.053 1.00 71.34 H new ATOM 0 HG3 LYS A 42 16.797 -26.392 10.976 1.00 71.34 H new ATOM 0 HD2 LYS A 42 16.688 -24.558 9.100 1.00 13.14 H new ATOM 0 HD3 LYS A 42 15.072 -24.242 9.701 1.00 13.14 H new ATOM 0 HE2 LYS A 42 16.482 -22.711 10.854 1.00 71.32 H new ATOM 0 HE3 LYS A 42 16.101 -23.958 12.024 1.00 71.32 H new ATOM 0 HZ1 LYS A 42 18.295 -24.072 12.306 1.00 74.12 H new ATOM 0 HZ2 LYS A 42 18.340 -24.925 10.839 1.00 74.12 H new ATOM 0 HZ3 LYS A 42 18.636 -23.253 10.859 1.00 74.12 H new ATOM 692 N ARG A 43 17.312 -29.650 10.253 1.00 72.33 N ATOM 693 CA ARG A 43 18.186 -30.335 11.211 1.00 3.54 C ATOM 694 C ARG A 43 19.046 -29.342 12.008 1.00 45.14 C ATOM 695 O ARG A 43 20.027 -28.793 11.499 1.00 71.32 O ATOM 696 CB ARG A 43 19.076 -31.348 10.475 1.00 61.12 C ATOM 697 CG ARG A 43 18.308 -32.535 9.896 1.00 55.30 C ATOM 698 CD ARG A 43 19.187 -33.387 8.986 1.00 70.54 C ATOM 699 NE ARG A 43 19.547 -32.676 7.760 1.00 51.23 N ATOM 700 CZ ARG A 43 20.715 -32.733 7.181 1.00 2.41 C ATOM 701 NH1 ARG A 43 21.650 -33.509 7.636 1.00 44.12 N ATOM 702 NH2 ARG A 43 20.925 -32.032 6.120 1.00 44.44 N ATOM 0 H ARG A 43 17.649 -29.671 9.291 1.00 72.33 H new ATOM 0 HA ARG A 43 17.554 -30.863 11.925 1.00 3.54 H new ATOM 0 HB2 ARG A 43 19.601 -30.838 9.667 1.00 61.12 H new ATOM 0 HB3 ARG A 43 19.835 -31.719 11.164 1.00 61.12 H new ATOM 0 HG2 ARG A 43 17.922 -33.150 10.709 1.00 55.30 H new ATOM 0 HG3 ARG A 43 17.447 -32.172 9.335 1.00 55.30 H new ATOM 0 HD2 ARG A 43 20.093 -33.673 9.520 1.00 70.54 H new ATOM 0 HD3 ARG A 43 18.662 -34.308 8.732 1.00 70.54 H new ATOM 0 HE ARG A 43 18.832 -32.092 7.325 1.00 51.23 H new ATOM 0 HH11 ARG A 43 21.478 -34.087 8.459 1.00 44.12 H new ATOM 0 HH12 ARG A 43 22.557 -33.541 7.171 1.00 44.12 H new ATOM 0 HH21 ARG A 43 20.183 -31.442 5.743 1.00 44.44 H new ATOM 0 HH22 ARG A 43 21.833 -32.067 5.657 1.00 44.44 H new ATOM 716 N VAL A 44 18.665 -29.112 13.261 1.00 5.43 N ATOM 717 CA VAL A 44 19.398 -28.203 14.148 1.00 61.12 C ATOM 718 C VAL A 44 20.306 -28.983 15.108 1.00 53.31 C ATOM 719 O VAL A 44 19.956 -30.072 15.564 1.00 63.14 O ATOM 720 CB VAL A 44 18.417 -27.321 14.959 1.00 62.33 C ATOM 721 CG1 VAL A 44 19.164 -26.371 15.896 1.00 62.21 C ATOM 722 CG2 VAL A 44 17.493 -26.547 14.018 1.00 74.53 C ATOM 0 H VAL A 44 17.847 -29.544 13.691 1.00 5.43 H new ATOM 0 HA VAL A 44 20.020 -27.562 13.523 1.00 61.12 H new ATOM 0 HB VAL A 44 17.807 -27.978 15.579 1.00 62.33 H new ATOM 0 HG11 VAL A 44 18.446 -25.767 16.450 1.00 62.21 H new ATOM 0 HG12 VAL A 44 19.767 -26.950 16.596 1.00 62.21 H new ATOM 0 HG13 VAL A 44 19.812 -25.718 15.311 1.00 62.21 H new ATOM 0 HG21 VAL A 44 16.810 -25.932 14.604 1.00 74.53 H new ATOM 0 HG22 VAL A 44 18.089 -25.908 13.367 1.00 74.53 H new ATOM 0 HG23 VAL A 44 16.920 -27.249 13.412 1.00 74.53 H new ATOM 732 N SER A 45 21.474 -28.425 15.409 1.00 53.12 N ATOM 733 CA SER A 45 22.438 -29.089 16.295 1.00 14.14 C ATOM 734 C SER A 45 21.994 -29.020 17.766 1.00 72.12 C ATOM 735 O SER A 45 21.431 -28.016 18.208 1.00 52.13 O ATOM 736 CB SER A 45 23.826 -28.450 16.150 1.00 61.11 C ATOM 737 OG SER A 45 23.822 -27.097 16.582 1.00 34.24 O ATOM 0 H SER A 45 21.780 -27.518 15.057 1.00 53.12 H new ATOM 0 HA SER A 45 22.485 -30.137 15.999 1.00 14.14 H new ATOM 0 HB2 SER A 45 24.552 -29.017 16.733 1.00 61.11 H new ATOM 0 HB3 SER A 45 24.144 -28.500 15.109 1.00 61.11 H new ATOM 0 HG SER A 45 24.720 -26.718 16.479 1.00 34.24 H new ATOM 743 N PRO A 46 22.240 -30.089 18.548 1.00 73.43 N ATOM 744 CA PRO A 46 21.937 -30.109 19.983 1.00 21.33 C ATOM 745 C PRO A 46 23.091 -29.541 20.826 1.00 3.32 C ATOM 746 O PRO A 46 24.108 -29.102 20.285 1.00 11.01 O ATOM 747 CB PRO A 46 21.747 -31.602 20.253 1.00 55.34 C ATOM 748 CG PRO A 46 22.690 -32.278 19.307 1.00 54.25 C ATOM 749 CD PRO A 46 22.833 -31.367 18.103 1.00 32.15 C ATOM 0 HA PRO A 46 21.075 -29.495 20.245 1.00 21.33 H new ATOM 0 HB2 PRO A 46 21.978 -31.850 21.289 1.00 55.34 H new ATOM 0 HB3 PRO A 46 20.717 -31.910 20.074 1.00 55.34 H new ATOM 0 HG2 PRO A 46 23.657 -32.447 19.781 1.00 54.25 H new ATOM 0 HG3 PRO A 46 22.306 -33.254 19.010 1.00 54.25 H new ATOM 0 HD2 PRO A 46 23.878 -31.244 17.818 1.00 32.15 H new ATOM 0 HD3 PRO A 46 22.310 -31.768 17.235 1.00 32.15 H new ATOM 757 N SER A 47 22.937 -29.546 22.148 1.00 62.23 N ATOM 758 CA SER A 47 23.998 -29.065 23.047 1.00 0.14 C ATOM 759 C SER A 47 25.206 -30.010 23.016 1.00 22.14 C ATOM 760 O SER A 47 25.342 -30.902 23.856 1.00 64.01 O ATOM 761 CB SER A 47 23.480 -28.924 24.485 1.00 70.54 C ATOM 762 OG SER A 47 24.449 -28.310 25.323 1.00 1.33 O ATOM 0 H SER A 47 22.096 -29.874 22.624 1.00 62.23 H new ATOM 0 HA SER A 47 24.311 -28.082 22.694 1.00 0.14 H new ATOM 0 HB2 SER A 47 22.565 -28.332 24.488 1.00 70.54 H new ATOM 0 HB3 SER A 47 23.224 -29.907 24.880 1.00 70.54 H new ATOM 0 HG SER A 47 24.092 -28.231 26.232 1.00 1.33 H new ATOM 768 N GLY A 48 26.068 -29.822 22.021 1.00 24.32 N ATOM 769 CA GLY A 48 27.195 -30.724 21.813 1.00 60.01 C ATOM 770 C GLY A 48 26.832 -31.920 20.933 1.00 45.12 C ATOM 771 O GLY A 48 25.697 -32.040 20.469 1.00 40.50 O ATOM 0 H GLY A 48 26.008 -29.057 21.349 1.00 24.32 H new ATOM 0 HA2 GLY A 48 28.016 -30.174 21.353 1.00 60.01 H new ATOM 0 HA3 GLY A 48 27.553 -31.082 22.778 1.00 60.01 H new ATOM 775 N GLU A 49 27.785 -32.821 20.722 1.00 22.22 N ATOM 776 CA GLU A 49 27.569 -33.998 19.866 1.00 65.02 C ATOM 777 C GLU A 49 26.857 -35.133 20.634 1.00 32.01 C ATOM 778 O GLU A 49 27.168 -36.311 20.457 1.00 71.33 O ATOM 779 CB GLU A 49 28.918 -34.495 19.324 1.00 65.01 C ATOM 780 CG GLU A 49 29.750 -33.417 18.632 1.00 64.33 C ATOM 781 CD GLU A 49 29.041 -32.783 17.444 1.00 22.03 C ATOM 782 OE1 GLU A 49 29.094 -33.356 16.335 1.00 41.21 O ATOM 783 OE2 GLU A 49 28.442 -31.700 17.609 1.00 74.21 O ATOM 0 H GLU A 49 28.718 -32.765 21.129 1.00 22.22 H new ATOM 0 HA GLU A 49 26.926 -33.703 19.037 1.00 65.02 H new ATOM 0 HB2 GLU A 49 29.497 -34.912 20.148 1.00 65.01 H new ATOM 0 HB3 GLU A 49 28.737 -35.307 18.619 1.00 65.01 H new ATOM 0 HG2 GLU A 49 30.000 -32.640 19.355 1.00 64.33 H new ATOM 0 HG3 GLU A 49 30.690 -33.853 18.295 1.00 64.33 H new ATOM 790 N LYS A 50 25.868 -34.771 21.452 1.00 44.21 N ATOM 791 CA LYS A 50 25.177 -35.733 22.327 1.00 12.22 C ATOM 792 C LYS A 50 24.077 -36.518 21.586 1.00 71.21 C ATOM 793 O LYS A 50 23.368 -37.325 22.186 1.00 4.00 O ATOM 794 CB LYS A 50 24.565 -34.992 23.528 1.00 42.01 C ATOM 795 CG LYS A 50 25.566 -34.148 24.314 1.00 42.10 C ATOM 796 CD LYS A 50 26.669 -34.993 24.945 1.00 71.44 C ATOM 797 CE LYS A 50 26.134 -35.908 26.040 1.00 4.21 C ATOM 798 NZ LYS A 50 27.217 -36.724 26.649 1.00 33.31 N ATOM 0 H LYS A 50 25.522 -33.815 21.531 1.00 44.21 H new ATOM 0 HA LYS A 50 25.919 -36.456 22.667 1.00 12.22 H new ATOM 0 HB2 LYS A 50 23.762 -34.347 23.173 1.00 42.01 H new ATOM 0 HB3 LYS A 50 24.114 -35.722 24.200 1.00 42.01 H new ATOM 0 HG2 LYS A 50 26.013 -33.408 23.651 1.00 42.10 H new ATOM 0 HG3 LYS A 50 25.040 -33.599 25.095 1.00 42.10 H new ATOM 0 HD2 LYS A 50 27.151 -35.594 24.174 1.00 71.44 H new ATOM 0 HD3 LYS A 50 27.434 -34.338 25.362 1.00 71.44 H new ATOM 0 HE2 LYS A 50 25.651 -35.309 26.812 1.00 4.21 H new ATOM 0 HE3 LYS A 50 25.371 -36.567 25.624 1.00 4.21 H new ATOM 0 HZ1 LYS A 50 26.817 -37.335 27.390 1.00 33.31 H new ATOM 0 HZ2 LYS A 50 27.661 -37.314 25.917 1.00 33.31 H new ATOM 0 HZ3 LYS A 50 27.932 -36.095 27.067 1.00 33.31 H new ATOM 812 N THR A 51 23.930 -36.276 20.287 1.00 60.14 N ATOM 813 CA THR A 51 22.907 -36.961 19.477 1.00 11.42 C ATOM 814 C THR A 51 23.406 -37.204 18.046 1.00 60.52 C ATOM 815 O THR A 51 24.218 -36.441 17.530 1.00 24.20 O ATOM 816 CB THR A 51 21.589 -36.147 19.412 1.00 54.43 C ATOM 817 OG1 THR A 51 21.188 -35.734 20.729 1.00 22.34 O ATOM 818 CG2 THR A 51 20.461 -36.958 18.782 1.00 12.04 C ATOM 0 H THR A 51 24.502 -35.612 19.765 1.00 60.14 H new ATOM 0 HA THR A 51 22.713 -37.916 19.965 1.00 11.42 H new ATOM 0 HB THR A 51 21.781 -35.272 18.792 1.00 54.43 H new ATOM 0 HG1 THR A 51 20.356 -35.220 20.671 1.00 22.34 H new ATOM 0 HG21 THR A 51 19.553 -36.356 18.753 1.00 12.04 H new ATOM 0 HG22 THR A 51 20.740 -37.243 17.768 1.00 12.04 H new ATOM 0 HG23 THR A 51 20.283 -37.855 19.375 1.00 12.04 H new ATOM 826 N LEU A 52 22.903 -38.259 17.410 1.00 72.53 N ATOM 827 CA LEU A 52 23.327 -38.631 16.055 1.00 71.43 C ATOM 828 C LEU A 52 22.730 -37.688 14.995 1.00 64.21 C ATOM 829 O LEU A 52 23.456 -37.020 14.263 1.00 14.04 O ATOM 830 CB LEU A 52 22.919 -40.082 15.753 1.00 20.34 C ATOM 831 CG LEU A 52 23.577 -41.167 16.632 1.00 63.04 C ATOM 832 CD1 LEU A 52 25.097 -41.019 16.635 1.00 75.42 C ATOM 833 CD2 LEU A 52 23.021 -41.142 18.058 1.00 14.11 C ATOM 0 H LEU A 52 22.197 -38.877 17.811 1.00 72.53 H new ATOM 0 HA LEU A 52 24.412 -38.541 16.011 1.00 71.43 H new ATOM 0 HB2 LEU A 52 21.837 -40.164 15.859 1.00 20.34 H new ATOM 0 HB3 LEU A 52 23.154 -40.295 14.710 1.00 20.34 H new ATOM 0 HG LEU A 52 23.332 -42.137 16.199 1.00 63.04 H new ATOM 0 HD11 LEU A 52 25.537 -41.795 17.261 1.00 75.42 H new ATOM 0 HD12 LEU A 52 25.474 -41.117 15.617 1.00 75.42 H new ATOM 0 HD13 LEU A 52 25.366 -40.039 17.029 1.00 75.42 H new ATOM 0 HD21 LEU A 52 23.505 -41.918 18.651 1.00 14.11 H new ATOM 0 HD22 LEU A 52 23.215 -40.168 18.507 1.00 14.11 H new ATOM 0 HD23 LEU A 52 21.946 -41.322 18.033 1.00 14.11 H new ATOM 845 N ARG A 53 21.399 -37.636 14.921 1.00 63.42 N ATOM 846 CA ARG A 53 20.714 -36.788 13.932 1.00 53.25 C ATOM 847 C ARG A 53 20.507 -35.357 14.460 1.00 13.24 C ATOM 848 O ARG A 53 19.943 -34.505 13.773 1.00 50.03 O ATOM 849 CB ARG A 53 19.362 -37.410 13.554 1.00 14.32 C ATOM 850 CG ARG A 53 19.458 -38.881 13.164 1.00 13.42 C ATOM 851 CD ARG A 53 20.359 -39.102 11.952 1.00 45.13 C ATOM 852 NE ARG A 53 20.694 -40.513 11.779 1.00 42.43 N ATOM 853 CZ ARG A 53 21.095 -41.049 10.658 1.00 3.43 C ATOM 854 NH1 ARG A 53 21.158 -40.350 9.571 1.00 1.15 N ATOM 855 NH2 ARG A 53 21.433 -42.294 10.636 1.00 21.33 N ATOM 0 H ARG A 53 20.773 -38.166 15.528 1.00 63.42 H new ATOM 0 HA ARG A 53 21.347 -36.729 13.047 1.00 53.25 H new ATOM 0 HB2 ARG A 53 18.677 -37.309 14.395 1.00 14.32 H new ATOM 0 HB3 ARG A 53 18.932 -36.849 12.724 1.00 14.32 H new ATOM 0 HG2 ARG A 53 19.842 -39.454 14.008 1.00 13.42 H new ATOM 0 HG3 ARG A 53 18.460 -39.263 12.947 1.00 13.42 H new ATOM 0 HD2 ARG A 53 19.860 -38.734 11.056 1.00 45.13 H new ATOM 0 HD3 ARG A 53 21.275 -38.522 12.068 1.00 45.13 H new ATOM 0 HE ARG A 53 20.609 -41.123 12.592 1.00 42.43 H new ATOM 0 HH11 ARG A 53 20.892 -39.365 9.582 1.00 1.15 H new ATOM 0 HH12 ARG A 53 21.473 -40.784 8.703 1.00 1.15 H new ATOM 0 HH21 ARG A 53 21.386 -42.850 11.490 1.00 21.33 H new ATOM 0 HH22 ARG A 53 21.748 -42.722 9.765 1.00 21.33 H new ATOM 869 N GLY A 54 20.977 -35.105 15.683 1.00 44.01 N ATOM 870 CA GLY A 54 20.840 -33.787 16.295 1.00 13.43 C ATOM 871 C GLY A 54 19.464 -33.547 16.910 1.00 51.21 C ATOM 872 O GLY A 54 18.996 -34.330 17.741 1.00 43.54 O ATOM 0 H GLY A 54 21.453 -35.794 16.265 1.00 44.01 H new ATOM 0 HA2 GLY A 54 21.601 -33.672 17.067 1.00 13.43 H new ATOM 0 HA3 GLY A 54 21.032 -33.023 15.542 1.00 13.43 H new ATOM 876 N THR A 55 18.824 -32.451 16.526 1.00 3.02 N ATOM 877 CA THR A 55 17.474 -32.125 17.004 1.00 52.33 C ATOM 878 C THR A 55 16.626 -31.532 15.872 1.00 74.05 C ATOM 879 O THR A 55 16.970 -30.497 15.299 1.00 72.43 O ATOM 880 CB THR A 55 17.508 -31.124 18.190 1.00 43.41 C ATOM 881 OG1 THR A 55 18.298 -31.655 19.271 1.00 1.01 O ATOM 882 CG2 THR A 55 16.100 -30.821 18.696 1.00 73.12 C ATOM 0 H THR A 55 19.215 -31.765 15.881 1.00 3.02 H new ATOM 0 HA THR A 55 17.027 -33.057 17.349 1.00 52.33 H new ATOM 0 HB THR A 55 17.957 -30.199 17.829 1.00 43.41 H new ATOM 0 HG1 THR A 55 18.312 -31.013 20.012 1.00 1.01 H new ATOM 0 HG21 THR A 55 16.155 -30.117 19.527 1.00 73.12 H new ATOM 0 HG22 THR A 55 15.510 -30.385 17.890 1.00 73.12 H new ATOM 0 HG23 THR A 55 15.628 -31.744 19.033 1.00 73.12 H new ATOM 890 N THR A 56 15.521 -32.193 15.542 1.00 13.12 N ATOM 891 CA THR A 56 14.655 -31.738 14.450 1.00 75.31 C ATOM 892 C THR A 56 13.620 -30.709 14.927 1.00 2.44 C ATOM 893 O THR A 56 12.643 -31.052 15.598 1.00 31.32 O ATOM 894 CB THR A 56 13.912 -32.921 13.783 1.00 4.32 C ATOM 895 OG1 THR A 56 14.854 -33.888 13.291 1.00 63.30 O ATOM 896 CG2 THR A 56 13.029 -32.445 12.637 1.00 12.30 C ATOM 0 H THR A 56 15.202 -33.041 16.010 1.00 13.12 H new ATOM 0 HA THR A 56 15.313 -31.266 13.720 1.00 75.31 H new ATOM 0 HB THR A 56 13.278 -33.382 14.541 1.00 4.32 H new ATOM 0 HG1 THR A 56 14.371 -34.632 12.873 1.00 63.30 H new ATOM 0 HG21 THR A 56 12.521 -33.300 12.190 1.00 12.30 H new ATOM 0 HG22 THR A 56 12.289 -31.741 13.016 1.00 12.30 H new ATOM 0 HG23 THR A 56 13.644 -31.954 11.883 1.00 12.30 H new ATOM 904 N TRP A 57 13.846 -29.447 14.576 1.00 44.12 N ATOM 905 CA TRP A 57 12.892 -28.374 14.867 1.00 71.24 C ATOM 906 C TRP A 57 11.917 -28.204 13.691 1.00 31.04 C ATOM 907 O TRP A 57 12.333 -27.965 12.554 1.00 61.10 O ATOM 908 CB TRP A 57 13.636 -27.057 15.144 1.00 12.02 C ATOM 909 CG TRP A 57 14.492 -27.094 16.381 1.00 35.12 C ATOM 910 CD1 TRP A 57 15.565 -27.904 16.611 1.00 23.55 C ATOM 911 CD2 TRP A 57 14.352 -26.276 17.550 1.00 13.12 C ATOM 912 NE1 TRP A 57 16.101 -27.641 17.846 1.00 23.51 N ATOM 913 CE2 TRP A 57 15.373 -26.648 18.444 1.00 34.03 C ATOM 914 CE3 TRP A 57 13.463 -25.266 17.927 1.00 14.23 C ATOM 915 CZ2 TRP A 57 15.528 -26.046 19.690 1.00 72.55 C ATOM 916 CZ3 TRP A 57 13.618 -24.668 19.163 1.00 53.40 C ATOM 917 CH2 TRP A 57 14.643 -25.059 20.033 1.00 5.01 C ATOM 0 H TRP A 57 14.686 -29.138 14.087 1.00 44.12 H new ATOM 0 HA TRP A 57 12.323 -28.641 15.758 1.00 71.24 H new ATOM 0 HB2 TRP A 57 14.264 -26.817 14.286 1.00 12.02 H new ATOM 0 HB3 TRP A 57 12.908 -26.252 15.241 1.00 12.02 H new ATOM 0 HD1 TRP A 57 15.939 -28.645 15.920 1.00 23.55 H new ATOM 0 HE1 TRP A 57 16.911 -28.109 18.253 1.00 23.51 H new ATOM 0 HE3 TRP A 57 12.668 -24.958 17.264 1.00 14.23 H new ATOM 0 HZ2 TRP A 57 16.318 -26.347 20.362 1.00 72.55 H new ATOM 0 HZ3 TRP A 57 12.937 -23.886 19.463 1.00 53.40 H new ATOM 0 HH2 TRP A 57 14.737 -24.573 20.993 1.00 5.01 H new ATOM 928 N TYR A 58 10.624 -28.348 13.968 1.00 33.23 N ATOM 929 CA TYR A 58 9.592 -28.328 12.925 1.00 22.21 C ATOM 930 C TYR A 58 9.040 -26.915 12.654 1.00 62.31 C ATOM 931 O TYR A 58 8.909 -26.096 13.566 1.00 21.44 O ATOM 932 CB TYR A 58 8.452 -29.275 13.317 1.00 32.03 C ATOM 933 CG TYR A 58 8.877 -30.732 13.405 1.00 32.31 C ATOM 934 CD1 TYR A 58 9.105 -31.475 12.253 1.00 44.13 C ATOM 935 CD2 TYR A 58 9.055 -31.361 14.634 1.00 31.33 C ATOM 936 CE1 TYR A 58 9.500 -32.796 12.322 1.00 13.11 C ATOM 937 CE2 TYR A 58 9.454 -32.683 14.706 1.00 72.35 C ATOM 938 CZ TYR A 58 9.671 -33.396 13.547 1.00 61.55 C ATOM 939 OH TYR A 58 10.075 -34.711 13.613 1.00 63.24 O ATOM 0 H TYR A 58 10.260 -28.481 14.912 1.00 33.23 H new ATOM 0 HA TYR A 58 10.059 -28.663 11.999 1.00 22.21 H new ATOM 0 HB2 TYR A 58 8.047 -28.964 14.280 1.00 32.03 H new ATOM 0 HB3 TYR A 58 7.647 -29.183 12.588 1.00 32.03 H new ATOM 0 HD1 TYR A 58 8.971 -31.011 11.287 1.00 44.13 H new ATOM 0 HD2 TYR A 58 8.879 -30.808 15.545 1.00 31.33 H new ATOM 0 HE1 TYR A 58 9.674 -33.357 11.416 1.00 13.11 H new ATOM 0 HE2 TYR A 58 9.595 -33.155 15.667 1.00 72.35 H new ATOM 0 HH TYR A 58 10.150 -34.984 14.551 1.00 63.24 H new ATOM 949 N ASN A 59 8.714 -26.653 11.385 1.00 11.21 N ATOM 950 CA ASN A 59 8.170 -25.360 10.949 1.00 64.11 C ATOM 951 C ASN A 59 6.643 -25.319 11.140 1.00 53.04 C ATOM 952 O ASN A 59 5.890 -25.814 10.297 1.00 73.53 O ATOM 953 CB ASN A 59 8.531 -25.135 9.469 1.00 55.45 C ATOM 954 CG ASN A 59 8.212 -23.735 8.960 1.00 51.34 C ATOM 955 OD1 ASN A 59 7.320 -23.059 9.453 1.00 43.24 O ATOM 956 ND2 ASN A 59 8.922 -23.302 7.938 1.00 13.32 N ATOM 0 H ASN A 59 8.819 -27.330 10.630 1.00 11.21 H new ATOM 0 HA ASN A 59 8.605 -24.566 11.556 1.00 64.11 H new ATOM 0 HB2 ASN A 59 9.595 -25.327 9.332 1.00 55.45 H new ATOM 0 HB3 ASN A 59 7.995 -25.863 8.860 1.00 55.45 H new ATOM 0 HD21 ASN A 59 8.733 -22.382 7.539 1.00 13.32 H new ATOM 0 HD22 ASN A 59 9.660 -23.886 7.546 1.00 13.32 H new ATOM 963 N TYR A 60 6.195 -24.738 12.257 1.00 71.44 N ATOM 964 CA TYR A 60 4.760 -24.677 12.591 1.00 2.03 C ATOM 965 C TYR A 60 3.905 -24.089 11.437 1.00 61.23 C ATOM 966 O TYR A 60 2.920 -24.711 11.025 1.00 32.02 O ATOM 967 CB TYR A 60 4.549 -23.880 13.894 1.00 11.11 C ATOM 968 CG TYR A 60 3.090 -23.695 14.291 1.00 72.10 C ATOM 969 CD1 TYR A 60 2.414 -24.678 15.008 1.00 3.02 C ATOM 970 CD2 TYR A 60 2.394 -22.535 13.958 1.00 5.32 C ATOM 971 CE1 TYR A 60 1.092 -24.509 15.381 1.00 11.20 C ATOM 972 CE2 TYR A 60 1.072 -22.363 14.326 1.00 71.31 C ATOM 973 CZ TYR A 60 0.426 -23.352 15.038 1.00 22.23 C ATOM 974 OH TYR A 60 -0.891 -23.180 15.411 1.00 11.53 O ATOM 0 H TYR A 60 6.803 -24.301 12.950 1.00 71.44 H new ATOM 0 HA TYR A 60 4.418 -25.701 12.741 1.00 2.03 H new ATOM 0 HB2 TYR A 60 5.072 -24.388 14.705 1.00 11.11 H new ATOM 0 HB3 TYR A 60 5.010 -22.898 13.783 1.00 11.11 H new ATOM 0 HD1 TYR A 60 2.930 -25.588 15.278 1.00 3.02 H new ATOM 0 HD2 TYR A 60 2.896 -21.756 13.403 1.00 5.32 H new ATOM 0 HE1 TYR A 60 0.584 -25.281 15.939 1.00 11.20 H new ATOM 0 HE2 TYR A 60 0.548 -21.458 14.057 1.00 71.31 H new ATOM 0 HH TYR A 60 -1.125 -23.838 16.098 1.00 11.53 H new ATOM 984 N PRO A 61 4.246 -22.886 10.904 1.00 34.32 N ATOM 985 CA PRO A 61 3.520 -22.292 9.760 1.00 73.54 C ATOM 986 C PRO A 61 3.362 -23.252 8.564 1.00 54.50 C ATOM 987 O PRO A 61 2.255 -23.440 8.048 1.00 70.35 O ATOM 988 CB PRO A 61 4.397 -21.093 9.375 1.00 45.41 C ATOM 989 CG PRO A 61 5.068 -20.701 10.645 1.00 42.25 C ATOM 990 CD PRO A 61 5.325 -21.990 11.383 1.00 0.13 C ATOM 0 HA PRO A 61 2.496 -22.033 10.030 1.00 73.54 H new ATOM 0 HB2 PRO A 61 5.124 -21.362 8.609 1.00 45.41 H new ATOM 0 HB3 PRO A 61 3.798 -20.276 8.973 1.00 45.41 H new ATOM 0 HG2 PRO A 61 5.999 -20.170 10.448 1.00 42.25 H new ATOM 0 HG3 PRO A 61 4.437 -20.033 11.231 1.00 42.25 H new ATOM 0 HD2 PRO A 61 6.312 -22.393 11.155 1.00 0.13 H new ATOM 0 HD3 PRO A 61 5.280 -21.850 12.463 1.00 0.13 H new ATOM 998 N GLU A 62 4.465 -23.864 8.132 1.00 20.53 N ATOM 999 CA GLU A 62 4.441 -24.765 6.971 1.00 74.30 C ATOM 1000 C GLU A 62 3.721 -26.091 7.280 1.00 15.32 C ATOM 1001 O GLU A 62 3.157 -26.721 6.385 1.00 74.54 O ATOM 1002 CB GLU A 62 5.868 -25.033 6.452 1.00 2.41 C ATOM 1003 CG GLU A 62 6.162 -24.392 5.094 1.00 51.11 C ATOM 1004 CD GLU A 62 5.173 -24.824 4.014 1.00 30.31 C ATOM 1005 OE1 GLU A 62 5.221 -26.000 3.590 1.00 75.20 O ATOM 1006 OE2 GLU A 62 4.345 -23.993 3.585 1.00 20.34 O ATOM 0 H GLU A 62 5.383 -23.756 8.563 1.00 20.53 H new ATOM 0 HA GLU A 62 3.874 -24.261 6.189 1.00 74.30 H new ATOM 0 HB2 GLU A 62 6.586 -24.660 7.182 1.00 2.41 H new ATOM 0 HB3 GLU A 62 6.021 -26.110 6.376 1.00 2.41 H new ATOM 0 HG2 GLU A 62 6.133 -23.307 5.195 1.00 51.11 H new ATOM 0 HG3 GLU A 62 7.173 -24.657 4.783 1.00 51.11 H new ATOM 1013 N ILE A 63 3.744 -26.523 8.538 1.00 65.13 N ATOM 1014 CA ILE A 63 2.983 -27.708 8.945 1.00 72.14 C ATOM 1015 C ILE A 63 1.477 -27.414 8.925 1.00 60.41 C ATOM 1016 O ILE A 63 0.682 -28.229 8.457 1.00 73.00 O ATOM 1017 CB ILE A 63 3.415 -28.216 10.343 1.00 70.11 C ATOM 1018 CG1 ILE A 63 4.855 -28.752 10.281 1.00 14.03 C ATOM 1019 CG2 ILE A 63 2.456 -29.292 10.859 1.00 62.25 C ATOM 1020 CD1 ILE A 63 5.349 -29.344 11.582 1.00 22.33 C ATOM 0 H ILE A 63 4.274 -26.079 9.288 1.00 65.13 H new ATOM 0 HA ILE A 63 3.199 -28.498 8.226 1.00 72.14 H new ATOM 0 HB ILE A 63 3.379 -27.381 11.042 1.00 70.11 H new ATOM 0 HG12 ILE A 63 4.915 -29.512 9.502 1.00 14.03 H new ATOM 0 HG13 ILE A 63 5.521 -27.941 9.987 1.00 14.03 H new ATOM 0 HG21 ILE A 63 2.784 -29.630 11.842 1.00 62.25 H new ATOM 0 HG22 ILE A 63 1.451 -28.878 10.934 1.00 62.25 H new ATOM 0 HG23 ILE A 63 2.450 -30.135 10.169 1.00 62.25 H new ATOM 0 HD11 ILE A 63 6.372 -29.699 11.455 1.00 22.33 H new ATOM 0 HD12 ILE A 63 5.323 -28.582 12.361 1.00 22.33 H new ATOM 0 HD13 ILE A 63 4.708 -30.178 11.869 1.00 22.33 H new ATOM 1032 N ASN A 64 1.090 -26.235 9.413 1.00 72.30 N ATOM 1033 CA ASN A 64 -0.306 -25.784 9.330 1.00 32.31 C ATOM 1034 C ASN A 64 -0.760 -25.709 7.859 1.00 41.22 C ATOM 1035 O ASN A 64 -1.919 -25.982 7.536 1.00 75.14 O ATOM 1036 CB ASN A 64 -0.469 -24.422 10.020 1.00 3.10 C ATOM 1037 CG ASN A 64 -1.911 -23.932 10.021 1.00 21.45 C ATOM 1038 OD1 ASN A 64 -2.340 -23.227 9.114 1.00 63.02 O ATOM 1039 ND2 ASN A 64 -2.671 -24.305 11.033 1.00 32.34 N ATOM 0 H ASN A 64 1.719 -25.574 9.869 1.00 72.30 H new ATOM 0 HA ASN A 64 -0.938 -26.507 9.846 1.00 32.31 H new ATOM 0 HB2 ASN A 64 -0.114 -24.495 11.048 1.00 3.10 H new ATOM 0 HB3 ASN A 64 0.160 -23.687 9.517 1.00 3.10 H new ATOM 0 HD21 ASN A 64 -3.645 -24.006 11.076 1.00 32.34 H new ATOM 0 HD22 ASN A 64 -2.284 -24.892 11.772 1.00 32.34 H new ATOM 1046 N LYS A 65 0.176 -25.348 6.976 1.00 64.32 N ATOM 1047 CA LYS A 65 -0.058 -25.357 5.523 1.00 32.43 C ATOM 1048 C LYS A 65 -0.441 -26.762 5.028 1.00 53.41 C ATOM 1049 O LYS A 65 -1.178 -26.904 4.059 1.00 3.50 O ATOM 1050 CB LYS A 65 1.204 -24.878 4.786 1.00 41.02 C ATOM 1051 CG LYS A 65 1.111 -24.946 3.261 1.00 33.43 C ATOM 1052 CD LYS A 65 0.323 -23.779 2.670 1.00 50.52 C ATOM 1053 CE LYS A 65 1.073 -22.459 2.825 1.00 1.15 C ATOM 1054 NZ LYS A 65 2.438 -22.523 2.229 1.00 41.41 N ATOM 0 H LYS A 65 1.112 -25.043 7.242 1.00 64.32 H new ATOM 0 HA LYS A 65 -0.887 -24.681 5.312 1.00 32.43 H new ATOM 0 HB2 LYS A 65 1.412 -23.849 5.079 1.00 41.02 H new ATOM 0 HB3 LYS A 65 2.051 -25.481 5.113 1.00 41.02 H new ATOM 0 HG2 LYS A 65 2.116 -24.952 2.839 1.00 33.43 H new ATOM 0 HG3 LYS A 65 0.638 -25.884 2.971 1.00 33.43 H new ATOM 0 HD2 LYS A 65 0.131 -23.967 1.614 1.00 50.52 H new ATOM 0 HD3 LYS A 65 -0.647 -23.707 3.163 1.00 50.52 H new ATOM 0 HE2 LYS A 65 0.505 -21.660 2.347 1.00 1.15 H new ATOM 0 HE3 LYS A 65 1.150 -22.207 3.883 1.00 1.15 H new ATOM 0 HZ1 LYS A 65 2.741 -21.568 1.951 1.00 41.41 H new ATOM 0 HZ2 LYS A 65 3.105 -22.908 2.928 1.00 41.41 H new ATOM 0 HZ3 LYS A 65 2.422 -23.138 1.391 1.00 41.41 H new ATOM 1068 N PHE A 66 0.088 -27.794 5.679 1.00 65.01 N ATOM 1069 CA PHE A 66 -0.282 -29.177 5.359 1.00 61.10 C ATOM 1070 C PHE A 66 -1.553 -29.604 6.117 1.00 71.24 C ATOM 1071 O PHE A 66 -2.348 -30.409 5.628 1.00 65.42 O ATOM 1072 CB PHE A 66 0.874 -30.132 5.682 1.00 44.55 C ATOM 1073 CG PHE A 66 0.596 -31.561 5.284 1.00 72.24 C ATOM 1074 CD1 PHE A 66 0.761 -31.974 3.968 1.00 50.34 C ATOM 1075 CD2 PHE A 66 0.155 -32.486 6.220 1.00 22.32 C ATOM 1076 CE1 PHE A 66 0.495 -33.280 3.598 1.00 23.35 C ATOM 1077 CE2 PHE A 66 -0.116 -33.789 5.854 1.00 31.12 C ATOM 1078 CZ PHE A 66 0.055 -34.188 4.543 1.00 35.40 C ATOM 0 H PHE A 66 0.773 -27.704 6.430 1.00 65.01 H new ATOM 0 HA PHE A 66 -0.492 -29.227 4.291 1.00 61.10 H new ATOM 0 HB2 PHE A 66 1.774 -29.788 5.171 1.00 44.55 H new ATOM 0 HB3 PHE A 66 1.080 -30.093 6.752 1.00 44.55 H new ATOM 0 HD1 PHE A 66 1.101 -31.267 3.225 1.00 50.34 H new ATOM 0 HD2 PHE A 66 0.022 -32.182 7.248 1.00 22.32 H new ATOM 0 HE1 PHE A 66 0.631 -33.590 2.572 1.00 23.35 H new ATOM 0 HE2 PHE A 66 -0.462 -34.497 6.593 1.00 31.12 H new ATOM 0 HZ PHE A 66 -0.155 -35.208 4.256 1.00 35.40 H new ATOM 1088 N ILE A 67 -1.738 -29.066 7.321 1.00 20.23 N ATOM 1089 CA ILE A 67 -2.918 -29.379 8.134 1.00 72.44 C ATOM 1090 C ILE A 67 -4.217 -28.970 7.421 1.00 50.11 C ATOM 1091 O ILE A 67 -5.224 -29.678 7.501 1.00 3.21 O ATOM 1092 CB ILE A 67 -2.841 -28.696 9.525 1.00 24.34 C ATOM 1093 CG1 ILE A 67 -1.636 -29.240 10.315 1.00 23.33 C ATOM 1094 CG2 ILE A 67 -4.137 -28.901 10.312 1.00 24.45 C ATOM 1095 CD1 ILE A 67 -1.435 -28.579 11.662 1.00 72.25 C ATOM 0 H ILE A 67 -1.088 -28.412 7.757 1.00 20.23 H new ATOM 0 HA ILE A 67 -2.929 -30.460 8.277 1.00 72.44 H new ATOM 0 HB ILE A 67 -2.709 -27.625 9.374 1.00 24.34 H new ATOM 0 HG12 ILE A 67 -1.766 -30.312 10.463 1.00 23.33 H new ATOM 0 HG13 ILE A 67 -0.733 -29.108 9.718 1.00 23.33 H new ATOM 0 HG21 ILE A 67 -4.055 -28.412 11.283 1.00 24.45 H new ATOM 0 HG22 ILE A 67 -4.971 -28.470 9.758 1.00 24.45 H new ATOM 0 HG23 ILE A 67 -4.310 -29.967 10.457 1.00 24.45 H new ATOM 0 HD11 ILE A 67 -0.568 -29.017 12.156 1.00 72.25 H new ATOM 0 HD12 ILE A 67 -1.272 -27.510 11.522 1.00 72.25 H new ATOM 0 HD13 ILE A 67 -2.320 -28.733 12.279 1.00 72.25 H new ATOM 1107 N ARG A 68 -4.189 -27.839 6.710 1.00 44.04 N ATOM 1108 CA ARG A 68 -5.354 -27.396 5.932 1.00 21.15 C ATOM 1109 C ARG A 68 -5.779 -28.473 4.912 1.00 32.24 C ATOM 1110 O ARG A 68 -6.965 -28.638 4.630 1.00 31.30 O ATOM 1111 CB ARG A 68 -5.074 -26.037 5.250 1.00 44.34 C ATOM 1112 CG ARG A 68 -3.907 -26.034 4.265 1.00 51.32 C ATOM 1113 CD ARG A 68 -4.318 -26.444 2.852 1.00 34.33 C ATOM 1114 NE ARG A 68 -3.159 -26.738 2.018 1.00 25.42 N ATOM 1115 CZ ARG A 68 -3.124 -26.615 0.719 1.00 0.23 C ATOM 1116 NH1 ARG A 68 -4.141 -26.146 0.068 1.00 71.34 N ATOM 1117 NH2 ARG A 68 -2.062 -26.965 0.068 1.00 51.01 N ATOM 0 H ARG A 68 -3.382 -27.218 6.656 1.00 44.04 H new ATOM 0 HA ARG A 68 -6.190 -27.252 6.617 1.00 21.15 H new ATOM 0 HB2 ARG A 68 -5.974 -25.720 4.723 1.00 44.34 H new ATOM 0 HB3 ARG A 68 -4.879 -25.294 6.023 1.00 44.34 H new ATOM 0 HG2 ARG A 68 -3.467 -25.037 4.235 1.00 51.32 H new ATOM 0 HG3 ARG A 68 -3.134 -26.713 4.624 1.00 51.32 H new ATOM 0 HD2 ARG A 68 -4.963 -27.321 2.901 1.00 34.33 H new ATOM 0 HD3 ARG A 68 -4.901 -25.644 2.396 1.00 34.33 H new ATOM 0 HE ARG A 68 -2.312 -27.064 2.484 1.00 25.42 H new ATOM 0 HH11 ARG A 68 -4.984 -25.867 0.571 1.00 71.34 H new ATOM 0 HH12 ARG A 68 -4.099 -26.056 -0.947 1.00 71.34 H new ATOM 0 HH21 ARG A 68 -1.255 -27.336 0.570 1.00 51.01 H new ATOM 0 HH22 ARG A 68 -2.032 -26.870 -0.947 1.00 51.01 H new ATOM 1131 N ASP A 69 -4.803 -29.219 4.373 1.00 32.03 N ATOM 1132 CA ASP A 69 -5.097 -30.379 3.520 1.00 44.40 C ATOM 1133 C ASP A 69 -5.803 -31.469 4.337 1.00 41.13 C ATOM 1134 O ASP A 69 -6.788 -32.060 3.899 1.00 1.20 O ATOM 1135 CB ASP A 69 -3.804 -30.965 2.933 1.00 25.01 C ATOM 1136 CG ASP A 69 -3.006 -29.961 2.123 1.00 2.43 C ATOM 1137 OD1 ASP A 69 -2.246 -29.176 2.726 1.00 63.23 O ATOM 1138 OD2 ASP A 69 -3.123 -29.964 0.881 1.00 3.24 O ATOM 0 H ASP A 69 -3.808 -29.041 4.512 1.00 32.03 H new ATOM 0 HA ASP A 69 -5.743 -30.043 2.709 1.00 44.40 H new ATOM 0 HB2 ASP A 69 -3.183 -31.343 3.745 1.00 25.01 H new ATOM 0 HB3 ASP A 69 -4.053 -31.817 2.300 1.00 25.01 H new ATOM 1143 N SER A 70 -5.287 -31.712 5.541 1.00 61.35 N ATOM 1144 CA SER A 70 -5.798 -32.771 6.428 1.00 4.03 C ATOM 1145 C SER A 70 -7.278 -32.552 6.803 1.00 24.44 C ATOM 1146 O SER A 70 -7.986 -33.498 7.154 1.00 62.33 O ATOM 1147 CB SER A 70 -4.933 -32.848 7.699 1.00 32.14 C ATOM 1148 OG SER A 70 -5.278 -33.964 8.505 1.00 31.35 O ATOM 0 H SER A 70 -4.506 -31.186 5.933 1.00 61.35 H new ATOM 0 HA SER A 70 -5.739 -33.714 5.885 1.00 4.03 H new ATOM 0 HB2 SER A 70 -3.881 -32.913 7.420 1.00 32.14 H new ATOM 0 HB3 SER A 70 -5.053 -31.931 8.277 1.00 32.14 H new ATOM 0 HG SER A 70 -4.505 -34.560 8.586 1.00 31.35 H new ATOM 1154 N LEU A 71 -7.744 -31.303 6.734 1.00 4.04 N ATOM 1155 CA LEU A 71 -9.159 -30.986 6.988 1.00 4.24 C ATOM 1156 C LEU A 71 -10.039 -31.230 5.749 1.00 44.33 C ATOM 1157 O LEU A 71 -11.255 -31.406 5.868 1.00 54.50 O ATOM 1158 CB LEU A 71 -9.317 -29.529 7.457 1.00 60.32 C ATOM 1159 CG LEU A 71 -9.089 -29.282 8.960 1.00 31.24 C ATOM 1160 CD1 LEU A 71 -10.098 -30.064 9.796 1.00 12.41 C ATOM 1161 CD2 LEU A 71 -7.664 -29.640 9.368 1.00 31.21 C ATOM 0 H LEU A 71 -7.167 -30.494 6.505 1.00 4.04 H new ATOM 0 HA LEU A 71 -9.495 -31.658 7.777 1.00 4.24 H new ATOM 0 HB2 LEU A 71 -8.619 -28.908 6.896 1.00 60.32 H new ATOM 0 HB3 LEU A 71 -10.321 -29.191 7.200 1.00 60.32 H new ATOM 0 HG LEU A 71 -9.236 -28.218 9.148 1.00 31.24 H new ATOM 0 HD11 LEU A 71 -9.918 -29.875 10.854 1.00 12.41 H new ATOM 0 HD12 LEU A 71 -11.108 -29.747 9.537 1.00 12.41 H new ATOM 0 HD13 LEU A 71 -9.989 -31.130 9.595 1.00 12.41 H new ATOM 0 HD21 LEU A 71 -7.533 -29.455 10.434 1.00 31.21 H new ATOM 0 HD22 LEU A 71 -7.479 -30.693 9.157 1.00 31.21 H new ATOM 0 HD23 LEU A 71 -6.960 -29.028 8.805 1.00 31.21 H new ATOM 1173 N GLU A 72 -9.429 -31.234 4.567 1.00 23.14 N ATOM 1174 CA GLU A 72 -10.168 -31.435 3.313 1.00 2.53 C ATOM 1175 C GLU A 72 -10.629 -32.893 3.132 1.00 45.42 C ATOM 1176 O GLU A 72 -10.462 -33.734 4.018 1.00 2.25 O ATOM 1177 CB GLU A 72 -9.312 -30.992 2.117 1.00 75.13 C ATOM 1178 CG GLU A 72 -9.025 -29.493 2.086 1.00 2.31 C ATOM 1179 CD GLU A 72 -10.291 -28.652 1.990 1.00 34.30 C ATOM 1180 OE1 GLU A 72 -10.734 -28.359 0.858 1.00 14.14 O ATOM 1181 OE2 GLU A 72 -10.856 -28.287 3.044 1.00 42.13 O ATOM 0 H GLU A 72 -8.425 -31.101 4.446 1.00 23.14 H new ATOM 0 HA GLU A 72 -11.066 -30.819 3.363 1.00 2.53 H new ATOM 0 HB2 GLU A 72 -8.366 -31.533 2.139 1.00 75.13 H new ATOM 0 HB3 GLU A 72 -9.819 -31.274 1.195 1.00 75.13 H new ATOM 0 HG2 GLU A 72 -8.476 -29.214 2.986 1.00 2.31 H new ATOM 0 HG3 GLU A 72 -8.380 -29.269 1.237 1.00 2.31 H new ATOM 1188 N HIS A 73 -11.211 -33.184 1.969 1.00 23.45 N ATOM 1189 CA HIS A 73 -11.777 -34.510 1.695 1.00 33.21 C ATOM 1190 C HIS A 73 -10.682 -35.524 1.319 1.00 34.43 C ATOM 1191 O HIS A 73 -10.014 -35.386 0.295 1.00 72.21 O ATOM 1192 CB HIS A 73 -12.823 -34.408 0.576 1.00 65.13 C ATOM 1193 CG HIS A 73 -13.940 -33.453 0.891 1.00 40.45 C ATOM 1194 ND1 HIS A 73 -15.196 -33.856 1.288 1.00 1.32 N ATOM 1195 CD2 HIS A 73 -13.980 -32.098 0.871 1.00 12.24 C ATOM 1196 CE1 HIS A 73 -15.956 -32.800 1.495 1.00 0.10 C ATOM 1197 NE2 HIS A 73 -15.244 -31.722 1.251 1.00 13.15 N ATOM 0 H HIS A 73 -11.304 -32.521 1.199 1.00 23.45 H new ATOM 0 HA HIS A 73 -12.258 -34.870 2.605 1.00 33.21 H new ATOM 0 HB2 HIS A 73 -12.331 -34.090 -0.343 1.00 65.13 H new ATOM 0 HB3 HIS A 73 -13.242 -35.397 0.388 1.00 65.13 H new ATOM 0 HD2 HIS A 73 -13.168 -31.437 0.605 1.00 12.24 H new ATOM 0 HE1 HIS A 73 -16.988 -32.817 1.811 1.00 0.10 H new ATOM 0 HE2 HIS A 73 -15.577 -30.761 1.331 1.00 13.15 H new ATOM 1206 N HIS A 74 -10.514 -36.547 2.156 1.00 14.01 N ATOM 1207 CA HIS A 74 -9.474 -37.567 1.957 1.00 35.04 C ATOM 1208 C HIS A 74 -10.034 -38.986 2.125 1.00 52.43 C ATOM 1209 O HIS A 74 -10.931 -39.219 2.933 1.00 12.24 O ATOM 1210 CB HIS A 74 -8.325 -37.341 2.949 1.00 14.13 C ATOM 1211 CG HIS A 74 -8.784 -37.148 4.364 1.00 60.13 C ATOM 1212 ND1 HIS A 74 -9.052 -35.911 4.904 1.00 74.25 N ATOM 1213 CD2 HIS A 74 -9.030 -38.042 5.351 1.00 13.41 C ATOM 1214 CE1 HIS A 74 -9.441 -36.051 6.153 1.00 74.54 C ATOM 1215 NE2 HIS A 74 -9.438 -37.332 6.451 1.00 24.42 N ATOM 0 H HIS A 74 -11.088 -36.696 2.986 1.00 14.01 H new ATOM 0 HA HIS A 74 -9.103 -37.471 0.936 1.00 35.04 H new ATOM 0 HB2 HIS A 74 -7.648 -38.194 2.908 1.00 14.13 H new ATOM 0 HB3 HIS A 74 -7.754 -36.466 2.638 1.00 14.13 H new ATOM 0 HD1 HIS A 74 -8.963 -35.022 4.412 1.00 74.25 H new ATOM 0 HD2 HIS A 74 -8.924 -39.115 5.284 1.00 13.41 H new ATOM 0 HE1 HIS A 74 -9.717 -35.249 6.821 1.00 74.54 H new ATOM 1224 N HIS A 75 -9.503 -39.936 1.360 1.00 20.24 N ATOM 1225 CA HIS A 75 -9.944 -41.331 1.453 1.00 20.43 C ATOM 1226 C HIS A 75 -8.771 -42.292 1.720 1.00 10.42 C ATOM 1227 O HIS A 75 -8.146 -42.813 0.796 1.00 12.11 O ATOM 1228 CB HIS A 75 -10.710 -41.740 0.185 1.00 40.53 C ATOM 1229 CG HIS A 75 -12.048 -41.075 0.057 1.00 51.14 C ATOM 1230 ND1 HIS A 75 -13.161 -41.501 0.747 1.00 11.02 N ATOM 1231 CD2 HIS A 75 -12.452 -40.007 -0.672 1.00 4.11 C ATOM 1232 CE1 HIS A 75 -14.186 -40.730 0.452 1.00 2.45 C ATOM 1233 NE2 HIS A 75 -13.786 -39.814 -0.405 1.00 52.45 N ATOM 0 H HIS A 75 -8.770 -39.770 0.671 1.00 20.24 H new ATOM 0 HA HIS A 75 -10.618 -41.404 2.307 1.00 20.43 H new ATOM 0 HB2 HIS A 75 -10.106 -41.497 -0.689 1.00 40.53 H new ATOM 0 HB3 HIS A 75 -10.848 -42.821 0.186 1.00 40.53 H new ATOM 0 HD2 HIS A 75 -11.840 -39.417 -1.338 1.00 4.11 H new ATOM 0 HE1 HIS A 75 -15.186 -40.832 0.846 1.00 2.45 H new ATOM 0 HE2 HIS A 75 -14.371 -39.081 -0.805 1.00 52.45 H new ATOM 1242 N HIS A 76 -8.456 -42.470 3.004 1.00 52.14 N ATOM 1243 CA HIS A 76 -7.489 -43.480 3.466 1.00 54.14 C ATOM 1244 C HIS A 76 -8.062 -44.214 4.688 1.00 20.05 C ATOM 1245 O HIS A 76 -8.099 -45.444 4.739 1.00 10.33 O ATOM 1246 CB HIS A 76 -6.140 -42.834 3.836 1.00 61.42 C ATOM 1247 CG HIS A 76 -5.342 -42.333 2.668 1.00 62.02 C ATOM 1248 ND1 HIS A 76 -4.201 -42.960 2.219 1.00 52.43 N ATOM 1249 CD2 HIS A 76 -5.506 -41.249 1.873 1.00 33.14 C ATOM 1250 CE1 HIS A 76 -3.698 -42.288 1.205 1.00 40.12 C ATOM 1251 NE2 HIS A 76 -4.468 -41.245 0.972 1.00 51.12 N ATOM 0 H HIS A 76 -8.863 -41.918 3.759 1.00 52.14 H new ATOM 0 HA HIS A 76 -7.316 -44.186 2.654 1.00 54.14 H new ATOM 0 HB2 HIS A 76 -6.326 -42.002 4.515 1.00 61.42 H new ATOM 0 HB3 HIS A 76 -5.541 -43.563 4.381 1.00 61.42 H new ATOM 0 HD2 HIS A 76 -6.303 -40.523 1.935 1.00 33.14 H new ATOM 0 HE1 HIS A 76 -2.805 -42.548 0.657 1.00 40.12 H new ATOM 0 HE2 HIS A 76 -4.318 -40.548 0.242 1.00 51.12 H new ATOM 1260 N HIS A 77 -8.491 -43.430 5.673 1.00 73.14 N ATOM 1261 CA HIS A 77 -9.193 -43.935 6.856 1.00 24.53 C ATOM 1262 C HIS A 77 -10.199 -42.889 7.362 1.00 35.44 C ATOM 1263 O HIS A 77 -9.852 -41.715 7.510 1.00 42.01 O ATOM 1264 CB HIS A 77 -8.188 -44.282 7.968 1.00 13.44 C ATOM 1265 CG HIS A 77 -8.817 -44.525 9.314 1.00 31.32 C ATOM 1266 ND1 HIS A 77 -9.263 -45.759 9.740 1.00 30.41 N ATOM 1267 CD2 HIS A 77 -9.077 -43.667 10.331 1.00 32.45 C ATOM 1268 CE1 HIS A 77 -9.768 -45.648 10.952 1.00 3.32 C ATOM 1269 NE2 HIS A 77 -9.667 -44.391 11.333 1.00 14.34 N ATOM 0 H HIS A 77 -8.362 -42.418 5.676 1.00 73.14 H new ATOM 0 HA HIS A 77 -9.734 -44.840 6.579 1.00 24.53 H new ATOM 0 HB2 HIS A 77 -7.631 -45.171 7.674 1.00 13.44 H new ATOM 0 HB3 HIS A 77 -7.467 -43.469 8.058 1.00 13.44 H new ATOM 0 HD2 HIS A 77 -8.859 -42.609 10.348 1.00 32.45 H new ATOM 0 HE1 HIS A 77 -10.193 -46.452 11.535 1.00 3.32 H new ATOM 0 HE2 HIS A 77 -9.978 -44.017 12.230 1.00 14.34 H new ATOM 1278 N HIS A 78 -11.437 -43.314 7.616 1.00 74.11 N ATOM 1279 CA HIS A 78 -12.467 -42.418 8.172 1.00 0.30 C ATOM 1280 C HIS A 78 -12.295 -42.233 9.692 1.00 13.34 C ATOM 1281 O HIS A 78 -12.604 -43.180 10.450 1.00 38.39 O ATOM 1282 CB HIS A 78 -13.873 -42.950 7.861 1.00 35.13 C ATOM 1283 CG HIS A 78 -14.215 -42.923 6.404 1.00 22.44 C ATOM 1284 ND1 HIS A 78 -14.329 -41.755 5.684 1.00 74.02 N ATOM 1285 CD2 HIS A 78 -14.469 -43.924 5.530 1.00 13.11 C ATOM 1286 CE1 HIS A 78 -14.643 -42.036 4.438 1.00 31.31 C ATOM 1287 NE2 HIS A 78 -14.733 -43.344 4.314 1.00 14.15 N ATOM 1288 OXT HIS A 78 -11.851 -41.141 10.119 1.00 38.39 O ATOM 0 H HIS A 78 -11.756 -44.268 7.448 1.00 74.11 H new ATOM 0 HA HIS A 78 -12.344 -41.444 7.697 1.00 0.30 H new ATOM 0 HB2 HIS A 78 -13.954 -43.974 8.226 1.00 35.13 H new ATOM 0 HB3 HIS A 78 -14.606 -42.358 8.409 1.00 35.13 H new ATOM 0 HD2 HIS A 78 -14.465 -44.982 5.748 1.00 13.11 H new ATOM 0 HE1 HIS A 78 -14.801 -41.315 3.649 1.00 31.31 H new ATOM 0 HE2 HIS A 78 -14.961 -43.844 3.455 1.00 14.15 H new TER 1297 HIS A 78