USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=19 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 45 SER OG : rot 107:sc= 0.963 USER MOD Set 1.2: A 47 SER OG : rot -19:sc= -1.81! USER MOD Set 2.1: A 26 GLN : amide:sc= 0.458 K(o=1.1,f=0.53) USER MOD Set 2.2: A 30 TYR OH : rot 30:sc= 0.65 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0867 (180deg=-0.491) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.195 (180deg=-0.295) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 ASN : amide:sc= -0.341 K(o=-0.34,f=-0.85) USER MOD Single : A 11 MET CE :methyl 140:sc= -1.66 (180deg=-4.48) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 140:sc= -0.251 (180deg=-0.877) USER MOD Single : A 20 THR OG1 : rot -73:sc= 1.16 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.132 X(o=0.13,f=0) USER MOD Single : A 40 HIS : no HE2:sc= -2.39! C(o=-2.4!,f=-6.8!) USER MOD Single : A 42 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.133) 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 -113:sc= 0.547 USER MOD Single : A 59 ASN : amide:sc= -0.997 K(o=-1,f=-5.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.671 K(o=-0.67,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= 0.199 K(o=0.2,f=-2.8!) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.737 X(o=-0.74,f=-0.48) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 77 HIS : no HD1:sc= -0.397 X(o=-0.4,f=-0.13) USER MOD Single : A 78 HIS : no HE2:sc= -0.0965 K(o=-0.096,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.426 2.020 6.149 1.00 20.43 N ATOM 2 CA MET A 1 3.087 1.542 5.691 1.00 72.53 C ATOM 3 C MET A 1 3.080 0.026 5.425 1.00 73.33 C ATOM 4 O MET A 1 2.092 -0.518 4.925 1.00 21.13 O ATOM 5 CB MET A 1 2.663 2.284 4.414 1.00 30.43 C ATOM 6 CG MET A 1 2.501 3.788 4.590 1.00 3.15 C ATOM 7 SD MET A 1 2.079 4.625 3.048 1.00 55.10 S ATOM 8 CE MET A 1 0.481 3.899 2.682 1.00 70.41 C ATOM 0 H1 MET A 1 4.357 3.014 6.446 1.00 20.43 H new ATOM 0 H2 MET A 1 4.746 1.440 6.951 1.00 20.43 H new ATOM 0 H3 MET A 1 5.109 1.939 5.369 1.00 20.43 H new ATOM 0 HA MET A 1 2.379 1.751 6.493 1.00 72.53 H new ATOM 0 HB2 MET A 1 3.404 2.098 3.636 1.00 30.43 H new ATOM 0 HB3 MET A 1 1.720 1.867 4.061 1.00 30.43 H new ATOM 0 HG2 MET A 1 1.724 3.982 5.329 1.00 3.15 H new ATOM 0 HG3 MET A 1 3.427 4.206 4.984 1.00 3.15 H new ATOM 0 HE1 MET A 1 -0.046 4.524 1.961 1.00 70.41 H new ATOM 0 HE2 MET A 1 0.621 2.902 2.265 1.00 70.41 H new ATOM 0 HE3 MET A 1 -0.105 3.830 3.598 1.00 70.41 H new ATOM 20 N ALA A 2 4.174 -0.655 5.765 1.00 23.51 N ATOM 21 CA ALA A 2 4.295 -2.096 5.520 1.00 11.12 C ATOM 22 C ALA A 2 5.177 -2.784 6.572 1.00 51.40 C ATOM 23 O ALA A 2 6.069 -2.165 7.155 1.00 65.11 O ATOM 24 CB ALA A 2 4.854 -2.340 4.126 1.00 74.14 C ATOM 0 H ALA A 2 4.990 -0.235 6.211 1.00 23.51 H new ATOM 0 HA ALA A 2 3.298 -2.530 5.594 1.00 11.12 H new ATOM 0 HB1 ALA A 2 4.941 -3.412 3.951 1.00 74.14 H new ATOM 0 HB2 ALA A 2 4.184 -1.905 3.384 1.00 74.14 H new ATOM 0 HB3 ALA A 2 5.838 -1.878 4.042 1.00 74.14 H new ATOM 30 N GLN A 3 4.923 -4.069 6.810 1.00 13.24 N ATOM 31 CA GLN A 3 5.705 -4.852 7.776 1.00 21.31 C ATOM 32 C GLN A 3 5.523 -6.363 7.550 1.00 63.10 C ATOM 33 O GLN A 3 4.399 -6.849 7.410 1.00 12.45 O ATOM 34 CB GLN A 3 5.302 -4.479 9.211 1.00 34.43 C ATOM 35 CG GLN A 3 6.083 -5.225 10.291 1.00 44.41 C ATOM 36 CD GLN A 3 5.763 -4.734 11.693 1.00 34.32 C ATOM 37 OE1 GLN A 3 6.406 -3.823 12.209 1.00 0.23 O ATOM 38 NE2 GLN A 3 4.774 -5.333 12.324 1.00 5.11 N ATOM 0 H GLN A 3 4.181 -4.595 6.348 1.00 13.24 H new ATOM 0 HA GLN A 3 6.758 -4.614 7.627 1.00 21.31 H new ATOM 0 HB2 GLN A 3 5.444 -3.407 9.350 1.00 34.43 H new ATOM 0 HB3 GLN A 3 4.239 -4.680 9.342 1.00 34.43 H new ATOM 0 HG2 GLN A 3 5.860 -6.290 10.224 1.00 44.41 H new ATOM 0 HG3 GLN A 3 7.151 -5.110 10.106 1.00 44.41 H new ATOM 0 HE21 GLN A 3 4.260 -6.086 11.867 1.00 5.11 H new ATOM 0 HE22 GLN A 3 4.522 -5.044 13.269 1.00 5.11 H new ATOM 47 N ILE A 4 6.631 -7.099 7.521 1.00 13.00 N ATOM 48 CA ILE A 4 6.602 -8.548 7.287 1.00 64.10 C ATOM 49 C ILE A 4 6.372 -9.332 8.592 1.00 11.50 C ATOM 50 O ILE A 4 6.976 -9.034 9.624 1.00 24.20 O ATOM 51 CB ILE A 4 7.922 -9.030 6.631 1.00 21.34 C ATOM 52 CG1 ILE A 4 8.200 -8.245 5.338 1.00 74.43 C ATOM 53 CG2 ILE A 4 7.870 -10.531 6.347 1.00 71.53 C ATOM 54 CD1 ILE A 4 7.127 -8.400 4.278 1.00 31.03 C ATOM 0 H ILE A 4 7.567 -6.717 7.657 1.00 13.00 H new ATOM 0 HA ILE A 4 5.768 -8.741 6.612 1.00 64.10 H new ATOM 0 HB ILE A 4 8.738 -8.844 7.330 1.00 21.34 H new ATOM 0 HG12 ILE A 4 8.304 -7.188 5.583 1.00 74.43 H new ATOM 0 HG13 ILE A 4 9.154 -8.572 4.925 1.00 74.43 H new ATOM 0 HG21 ILE A 4 8.806 -10.847 5.887 1.00 71.53 H new ATOM 0 HG22 ILE A 4 7.724 -11.073 7.281 1.00 71.53 H new ATOM 0 HG23 ILE A 4 7.043 -10.745 5.670 1.00 71.53 H new ATOM 0 HD11 ILE A 4 7.398 -7.816 3.398 1.00 31.03 H new ATOM 0 HD12 ILE A 4 7.037 -9.451 4.002 1.00 31.03 H new ATOM 0 HD13 ILE A 4 6.174 -8.045 4.670 1.00 31.03 H new ATOM 66 N ILE A 5 5.494 -10.337 8.539 1.00 63.41 N ATOM 67 CA ILE A 5 5.191 -11.169 9.713 1.00 63.14 C ATOM 68 C ILE A 5 5.794 -12.578 9.579 1.00 62.01 C ATOM 69 O ILE A 5 5.392 -13.361 8.718 1.00 75.21 O ATOM 70 CB ILE A 5 3.656 -11.310 9.955 1.00 63.22 C ATOM 71 CG1 ILE A 5 3.015 -9.955 10.331 1.00 44.31 C ATOM 72 CG2 ILE A 5 3.373 -12.352 11.043 1.00 62.10 C ATOM 73 CD1 ILE A 5 2.915 -8.965 9.187 1.00 4.12 C ATOM 0 H ILE A 5 4.979 -10.596 7.698 1.00 63.41 H new ATOM 0 HA ILE A 5 5.640 -10.656 10.563 1.00 63.14 H new ATOM 0 HB ILE A 5 3.206 -11.646 9.021 1.00 63.22 H new ATOM 0 HG12 ILE A 5 2.015 -10.138 10.724 1.00 44.31 H new ATOM 0 HG13 ILE A 5 3.596 -9.504 11.135 1.00 44.31 H new ATOM 0 HG21 ILE A 5 2.297 -12.435 11.196 1.00 62.10 H new ATOM 0 HG22 ILE A 5 3.771 -13.318 10.734 1.00 62.10 H new ATOM 0 HG23 ILE A 5 3.849 -12.045 11.974 1.00 62.10 H new ATOM 0 HD11 ILE A 5 2.453 -8.044 9.542 1.00 4.12 H new ATOM 0 HD12 ILE A 5 3.913 -8.747 8.806 1.00 4.12 H new ATOM 0 HD13 ILE A 5 2.307 -9.391 8.389 1.00 4.12 H new ATOM 85 N PHE A 6 6.763 -12.897 10.432 1.00 4.21 N ATOM 86 CA PHE A 6 7.302 -14.258 10.505 1.00 44.14 C ATOM 87 C PHE A 6 6.967 -14.919 11.847 1.00 42.42 C ATOM 88 O PHE A 6 7.714 -14.803 12.818 1.00 54.15 O ATOM 89 CB PHE A 6 8.819 -14.269 10.280 1.00 13.30 C ATOM 90 CG PHE A 6 9.233 -13.958 8.859 1.00 63.11 C ATOM 91 CD1 PHE A 6 8.710 -14.686 7.797 1.00 33.35 C ATOM 92 CD2 PHE A 6 10.146 -12.948 8.585 1.00 53.11 C ATOM 93 CE1 PHE A 6 9.090 -14.414 6.495 1.00 61.04 C ATOM 94 CE2 PHE A 6 10.531 -12.675 7.284 1.00 55.43 C ATOM 95 CZ PHE A 6 10.002 -13.407 6.238 1.00 0.24 C ATOM 0 H PHE A 6 7.192 -12.237 11.081 1.00 4.21 H new ATOM 0 HA PHE A 6 6.829 -14.833 9.709 1.00 44.14 H new ATOM 0 HB2 PHE A 6 9.280 -13.543 10.949 1.00 13.30 H new ATOM 0 HB3 PHE A 6 9.210 -15.249 10.555 1.00 13.30 H new ATOM 0 HD1 PHE A 6 7.998 -15.474 7.991 1.00 33.35 H new ATOM 0 HD2 PHE A 6 10.560 -12.369 9.397 1.00 53.11 H new ATOM 0 HE1 PHE A 6 8.675 -14.988 5.680 1.00 61.04 H new ATOM 0 HE2 PHE A 6 11.245 -11.889 7.086 1.00 55.43 H new ATOM 0 HZ PHE A 6 10.300 -13.193 5.222 1.00 0.24 H new ATOM 105 N ASN A 7 5.829 -15.601 11.900 1.00 45.44 N ATOM 106 CA ASN A 7 5.426 -16.331 13.103 1.00 11.10 C ATOM 107 C ASN A 7 6.180 -17.669 13.205 1.00 32.42 C ATOM 108 O ASN A 7 5.591 -18.754 13.153 1.00 2.10 O ATOM 109 CB ASN A 7 3.902 -16.526 13.112 1.00 11.10 C ATOM 110 CG ASN A 7 3.378 -17.164 11.836 1.00 44.10 C ATOM 111 OD1 ASN A 7 3.137 -16.487 10.839 1.00 63.24 O ATOM 112 ND2 ASN A 7 3.171 -18.462 11.861 1.00 40.41 N ATOM 0 H ASN A 7 5.167 -15.666 11.126 1.00 45.44 H new ATOM 0 HA ASN A 7 5.692 -15.747 13.984 1.00 11.10 H new ATOM 0 HB2 ASN A 7 3.626 -17.149 13.963 1.00 11.10 H new ATOM 0 HB3 ASN A 7 3.418 -15.560 13.254 1.00 11.10 H new ATOM 0 HD21 ASN A 7 2.800 -18.935 11.037 1.00 40.41 H new ATOM 0 HD22 ASN A 7 3.381 -18.996 12.704 1.00 40.41 H new ATOM 119 N GLU A 8 7.502 -17.571 13.346 1.00 53.33 N ATOM 120 CA GLU A 8 8.377 -18.745 13.367 1.00 52.35 C ATOM 121 C GLU A 8 8.297 -19.504 14.697 1.00 1.15 C ATOM 122 O GLU A 8 9.162 -19.361 15.564 1.00 2.14 O ATOM 123 CB GLU A 8 9.828 -18.334 13.097 1.00 22.33 C ATOM 124 CG GLU A 8 10.072 -17.759 11.708 1.00 21.21 C ATOM 125 CD GLU A 8 11.531 -17.396 11.491 1.00 54.35 C ATOM 126 OE1 GLU A 8 12.390 -18.301 11.595 1.00 73.10 O ATOM 127 OE2 GLU A 8 11.831 -16.212 11.242 1.00 32.43 O ATOM 0 H GLU A 8 7.994 -16.683 13.448 1.00 53.33 H new ATOM 0 HA GLU A 8 8.031 -19.414 12.579 1.00 52.35 H new ATOM 0 HB2 GLU A 8 10.128 -17.595 13.840 1.00 22.33 H new ATOM 0 HB3 GLU A 8 10.471 -19.204 13.235 1.00 22.33 H new ATOM 0 HG2 GLU A 8 9.763 -18.485 10.956 1.00 21.21 H new ATOM 0 HG3 GLU A 8 9.453 -16.873 11.569 1.00 21.21 H new ATOM 134 N GLU A 9 7.253 -20.306 14.857 1.00 75.51 N ATOM 135 CA GLU A 9 7.099 -21.139 16.050 1.00 52.41 C ATOM 136 C GLU A 9 7.888 -22.456 15.912 1.00 2.40 C ATOM 137 O GLU A 9 7.324 -23.504 15.589 1.00 54.13 O ATOM 138 CB GLU A 9 5.611 -21.427 16.307 1.00 10.34 C ATOM 139 CG GLU A 9 4.747 -20.175 16.470 1.00 42.35 C ATOM 140 CD GLU A 9 5.089 -19.356 17.710 1.00 30.40 C ATOM 141 OE1 GLU A 9 4.615 -19.706 18.811 1.00 25.12 O ATOM 142 OE2 GLU A 9 5.808 -18.342 17.586 1.00 71.32 O ATOM 0 H GLU A 9 6.498 -20.400 14.178 1.00 75.51 H new ATOM 0 HA GLU A 9 7.504 -20.593 16.902 1.00 52.41 H new ATOM 0 HB2 GLU A 9 5.219 -22.019 15.480 1.00 10.34 H new ATOM 0 HB3 GLU A 9 5.521 -22.036 17.206 1.00 10.34 H new ATOM 0 HG2 GLU A 9 4.862 -19.547 15.587 1.00 42.35 H new ATOM 0 HG3 GLU A 9 3.699 -20.470 16.517 1.00 42.35 H new ATOM 149 N TRP A 10 9.205 -22.378 16.112 1.00 63.33 N ATOM 150 CA TRP A 10 10.065 -23.571 16.114 1.00 2.52 C ATOM 151 C TRP A 10 9.949 -24.304 17.458 1.00 52.12 C ATOM 152 O TRP A 10 10.206 -23.721 18.513 1.00 41.53 O ATOM 153 CB TRP A 10 11.533 -23.189 15.862 1.00 61.52 C ATOM 154 CG TRP A 10 11.774 -22.517 14.539 1.00 11.31 C ATOM 155 CD1 TRP A 10 11.663 -21.184 14.262 1.00 45.11 C ATOM 156 CD2 TRP A 10 12.183 -23.147 13.318 1.00 23.31 C ATOM 157 NE1 TRP A 10 11.969 -20.949 12.944 1.00 61.41 N ATOM 158 CE2 TRP A 10 12.290 -22.137 12.344 1.00 61.13 C ATOM 159 CE3 TRP A 10 12.464 -24.467 12.951 1.00 52.01 C ATOM 160 CZ2 TRP A 10 12.669 -22.407 11.029 1.00 64.13 C ATOM 161 CZ3 TRP A 10 12.840 -24.732 11.648 1.00 53.04 C ATOM 162 CH2 TRP A 10 12.939 -23.706 10.700 1.00 31.01 C ATOM 0 H TRP A 10 9.703 -21.503 16.275 1.00 63.33 H new ATOM 0 HA TRP A 10 9.732 -24.229 15.311 1.00 2.52 H new ATOM 0 HB2 TRP A 10 11.867 -22.526 16.660 1.00 61.52 H new ATOM 0 HB3 TRP A 10 12.146 -24.089 15.917 1.00 61.52 H new ATOM 0 HD1 TRP A 10 11.376 -20.426 14.975 1.00 45.11 H new ATOM 0 HE1 TRP A 10 11.959 -20.037 12.486 1.00 61.41 H new ATOM 0 HE3 TRP A 10 12.388 -25.266 13.674 1.00 52.01 H new ATOM 0 HZ2 TRP A 10 12.746 -21.617 10.296 1.00 64.13 H new ATOM 0 HZ3 TRP A 10 13.061 -25.748 11.356 1.00 53.04 H new ATOM 0 HH2 TRP A 10 13.234 -23.946 9.689 1.00 31.01 H new ATOM 173 N MET A 11 9.583 -25.583 17.424 1.00 44.41 N ATOM 174 CA MET A 11 9.309 -26.327 18.662 1.00 24.15 C ATOM 175 C MET A 11 9.580 -27.832 18.523 1.00 40.11 C ATOM 176 O MET A 11 9.722 -28.352 17.417 1.00 20.23 O ATOM 177 CB MET A 11 7.848 -26.110 19.066 1.00 32.35 C ATOM 178 CG MET A 11 6.844 -26.588 18.019 1.00 30.33 C ATOM 179 SD MET A 11 5.152 -26.110 18.417 1.00 41.43 S ATOM 180 CE MET A 11 5.311 -24.326 18.437 1.00 33.50 C ATOM 0 H MET A 11 9.469 -26.125 16.567 1.00 44.41 H new ATOM 0 HA MET A 11 9.986 -25.947 19.427 1.00 24.15 H new ATOM 0 HB2 MET A 11 7.658 -26.632 20.004 1.00 32.35 H new ATOM 0 HB3 MET A 11 7.686 -25.049 19.254 1.00 32.35 H new ATOM 0 HG2 MET A 11 7.115 -26.177 17.046 1.00 30.33 H new ATOM 0 HG3 MET A 11 6.901 -27.673 17.934 1.00 30.33 H new ATOM 0 HE1 MET A 11 4.433 -23.877 17.972 1.00 33.50 H new ATOM 0 HE2 MET A 11 5.393 -23.980 19.467 1.00 33.50 H new ATOM 0 HE3 MET A 11 6.204 -24.034 17.884 1.00 33.50 H new ATOM 190 N VAL A 12 9.646 -28.524 19.662 1.00 72.32 N ATOM 191 CA VAL A 12 9.778 -29.986 19.677 1.00 32.23 C ATOM 192 C VAL A 12 8.406 -30.665 19.506 1.00 62.51 C ATOM 193 O VAL A 12 7.374 -29.995 19.449 1.00 4.11 O ATOM 194 CB VAL A 12 10.440 -30.482 20.988 1.00 75.51 C ATOM 195 CG1 VAL A 12 11.817 -29.849 21.169 1.00 73.13 C ATOM 196 CG2 VAL A 12 9.544 -30.197 22.194 1.00 4.31 C ATOM 0 H VAL A 12 9.610 -28.097 20.588 1.00 72.32 H new ATOM 0 HA VAL A 12 10.419 -30.258 18.838 1.00 32.23 H new ATOM 0 HB VAL A 12 10.570 -31.562 20.916 1.00 75.51 H new ATOM 0 HG11 VAL A 12 12.265 -30.210 22.095 1.00 73.13 H new ATOM 0 HG12 VAL A 12 12.455 -30.119 20.328 1.00 73.13 H new ATOM 0 HG13 VAL A 12 11.716 -28.765 21.214 1.00 73.13 H new ATOM 0 HG21 VAL A 12 10.031 -30.554 23.101 1.00 4.31 H new ATOM 0 HG22 VAL A 12 9.371 -29.124 22.273 1.00 4.31 H new ATOM 0 HG23 VAL A 12 8.590 -30.710 22.068 1.00 4.31 H new ATOM 206 N GLU A 13 8.397 -31.993 19.449 1.00 32.02 N ATOM 207 CA GLU A 13 7.159 -32.746 19.208 1.00 53.32 C ATOM 208 C GLU A 13 6.160 -32.589 20.365 1.00 24.13 C ATOM 209 O GLU A 13 4.953 -32.474 20.143 1.00 21.54 O ATOM 210 CB GLU A 13 7.480 -34.225 18.986 1.00 72.22 C ATOM 211 CG GLU A 13 6.309 -35.037 18.448 1.00 13.41 C ATOM 212 CD GLU A 13 6.731 -36.420 17.989 1.00 13.12 C ATOM 213 OE1 GLU A 13 7.335 -36.527 16.899 1.00 62.23 O ATOM 214 OE2 GLU A 13 6.469 -37.398 18.715 1.00 12.13 O ATOM 0 H GLU A 13 9.228 -32.574 19.565 1.00 32.02 H new ATOM 0 HA GLU A 13 6.692 -32.337 18.312 1.00 53.32 H new ATOM 0 HB2 GLU A 13 8.315 -34.305 18.290 1.00 72.22 H new ATOM 0 HB3 GLU A 13 7.809 -34.661 19.929 1.00 72.22 H new ATOM 0 HG2 GLU A 13 5.548 -35.130 19.223 1.00 13.41 H new ATOM 0 HG3 GLU A 13 5.852 -34.504 17.615 1.00 13.41 H new ATOM 221 N LYS A 14 6.670 -32.582 21.599 1.00 61.44 N ATOM 222 CA LYS A 14 5.825 -32.396 22.786 1.00 11.45 C ATOM 223 C LYS A 14 5.033 -31.080 22.683 1.00 42.43 C ATOM 224 O LYS A 14 3.833 -31.038 22.947 1.00 11.24 O ATOM 225 CB LYS A 14 6.693 -32.412 24.064 1.00 23.25 C ATOM 226 CG LYS A 14 5.924 -32.684 25.361 1.00 21.41 C ATOM 227 CD LYS A 14 5.168 -31.453 25.863 1.00 60.32 C ATOM 228 CE LYS A 14 6.110 -30.356 26.349 1.00 70.45 C ATOM 229 NZ LYS A 14 5.364 -29.178 26.866 1.00 0.41 N ATOM 0 H LYS A 14 7.662 -32.703 21.804 1.00 61.44 H new ATOM 0 HA LYS A 14 5.112 -33.218 22.841 1.00 11.45 H new ATOM 0 HB2 LYS A 14 7.467 -33.171 23.951 1.00 23.25 H new ATOM 0 HB3 LYS A 14 7.200 -31.451 24.154 1.00 23.25 H new ATOM 0 HG2 LYS A 14 5.218 -33.498 25.197 1.00 21.41 H new ATOM 0 HG3 LYS A 14 6.621 -33.017 26.130 1.00 21.41 H new ATOM 0 HD2 LYS A 14 4.541 -31.062 25.062 1.00 60.32 H new ATOM 0 HD3 LYS A 14 4.502 -31.744 26.676 1.00 60.32 H new ATOM 0 HE2 LYS A 14 6.754 -30.752 27.134 1.00 70.45 H new ATOM 0 HE3 LYS A 14 6.759 -30.045 25.530 1.00 70.45 H new ATOM 0 HZ1 LYS A 14 6.038 -28.454 27.187 1.00 0.41 H new ATOM 0 HZ2 LYS A 14 4.768 -28.785 26.110 1.00 0.41 H new ATOM 0 HZ3 LYS A 14 4.764 -29.470 27.663 1.00 0.41 H new ATOM 243 N ALA A 15 5.714 -30.007 22.293 1.00 72.53 N ATOM 244 CA ALA A 15 5.062 -28.711 22.089 1.00 53.41 C ATOM 245 C ALA A 15 4.124 -28.750 20.873 1.00 72.25 C ATOM 246 O ALA A 15 3.003 -28.243 20.916 1.00 10.23 O ATOM 247 CB ALA A 15 6.112 -27.619 21.920 1.00 43.01 C ATOM 0 H ALA A 15 6.718 -30.006 22.111 1.00 72.53 H new ATOM 0 HA ALA A 15 4.459 -28.488 22.969 1.00 53.41 H new ATOM 0 HB1 ALA A 15 5.618 -26.659 21.769 1.00 43.01 H new ATOM 0 HB2 ALA A 15 6.733 -27.570 22.814 1.00 43.01 H new ATOM 0 HB3 ALA A 15 6.737 -27.845 21.056 1.00 43.01 H new ATOM 253 N LEU A 16 4.589 -29.383 19.800 1.00 54.02 N ATOM 254 CA LEU A 16 3.829 -29.480 18.551 1.00 61.31 C ATOM 255 C LEU A 16 2.446 -30.115 18.784 1.00 12.42 C ATOM 256 O LEU A 16 1.430 -29.600 18.311 1.00 13.41 O ATOM 257 CB LEU A 16 4.644 -30.290 17.523 1.00 64.21 C ATOM 258 CG LEU A 16 4.158 -30.245 16.058 1.00 50.12 C ATOM 259 CD1 LEU A 16 2.964 -31.175 15.824 1.00 1.12 C ATOM 260 CD2 LEU A 16 3.824 -28.807 15.648 1.00 5.24 C ATOM 0 H LEU A 16 5.499 -29.842 19.768 1.00 54.02 H new ATOM 0 HA LEU A 16 3.657 -28.476 18.163 1.00 61.31 H new ATOM 0 HB2 LEU A 16 5.674 -29.935 17.550 1.00 64.21 H new ATOM 0 HB3 LEU A 16 4.657 -31.331 17.845 1.00 64.21 H new ATOM 0 HG LEU A 16 4.972 -30.605 15.428 1.00 50.12 H new ATOM 0 HD11 LEU A 16 2.654 -31.113 14.781 1.00 1.12 H new ATOM 0 HD12 LEU A 16 3.250 -32.201 16.057 1.00 1.12 H new ATOM 0 HD13 LEU A 16 2.137 -30.874 16.467 1.00 1.12 H new ATOM 0 HD21 LEU A 16 3.483 -28.794 14.613 1.00 5.24 H new ATOM 0 HD22 LEU A 16 3.037 -28.418 16.294 1.00 5.24 H new ATOM 0 HD23 LEU A 16 4.714 -28.185 15.745 1.00 5.24 H new ATOM 272 N MET A 17 2.410 -31.229 19.517 1.00 22.21 N ATOM 273 CA MET A 17 1.141 -31.910 19.819 1.00 63.20 C ATOM 274 C MET A 17 0.222 -31.031 20.692 1.00 3.20 C ATOM 275 O MET A 17 -1.004 -31.133 20.620 1.00 12.40 O ATOM 276 CB MET A 17 1.389 -33.267 20.504 1.00 3.34 C ATOM 277 CG MET A 17 2.073 -33.176 21.860 1.00 33.14 C ATOM 278 SD MET A 17 2.353 -34.797 22.614 1.00 43.23 S ATOM 279 CE MET A 17 3.394 -35.572 21.375 1.00 52.53 C ATOM 0 H MET A 17 3.236 -31.679 19.912 1.00 22.21 H new ATOM 0 HA MET A 17 0.637 -32.089 18.869 1.00 63.20 H new ATOM 0 HB2 MET A 17 0.434 -33.777 20.627 1.00 3.34 H new ATOM 0 HB3 MET A 17 1.998 -33.886 19.845 1.00 3.34 H new ATOM 0 HG2 MET A 17 3.028 -32.663 21.746 1.00 33.14 H new ATOM 0 HG3 MET A 17 1.463 -32.569 22.529 1.00 33.14 H new ATOM 0 HE1 MET A 17 4.178 -36.147 21.867 1.00 52.53 H new ATOM 0 HE2 MET A 17 2.790 -36.236 20.756 1.00 52.53 H new ATOM 0 HE3 MET A 17 3.847 -34.804 20.748 1.00 52.53 H new ATOM 289 N VAL A 18 0.824 -30.169 21.515 1.00 43.01 N ATOM 290 CA VAL A 18 0.069 -29.226 22.355 1.00 14.55 C ATOM 291 C VAL A 18 -0.526 -28.077 21.519 1.00 71.51 C ATOM 292 O VAL A 18 -1.665 -27.657 21.736 1.00 1.04 O ATOM 293 CB VAL A 18 0.971 -28.642 23.476 1.00 23.11 C ATOM 294 CG1 VAL A 18 0.254 -27.534 24.246 1.00 51.35 C ATOM 295 CG2 VAL A 18 1.427 -29.748 24.429 1.00 21.11 C ATOM 0 H VAL A 18 1.836 -30.102 21.620 1.00 43.01 H new ATOM 0 HA VAL A 18 -0.751 -29.783 22.809 1.00 14.55 H new ATOM 0 HB VAL A 18 1.850 -28.205 23.002 1.00 23.11 H new ATOM 0 HG11 VAL A 18 0.912 -27.146 25.023 1.00 51.35 H new ATOM 0 HG12 VAL A 18 -0.012 -26.729 23.561 1.00 51.35 H new ATOM 0 HG13 VAL A 18 -0.650 -27.935 24.703 1.00 51.35 H new ATOM 0 HG21 VAL A 18 2.058 -29.320 25.208 1.00 21.11 H new ATOM 0 HG22 VAL A 18 0.555 -30.217 24.885 1.00 21.11 H new ATOM 0 HG23 VAL A 18 1.993 -30.496 23.874 1.00 21.11 H new ATOM 305 N ARG A 19 0.254 -27.582 20.560 1.00 54.41 N ATOM 306 CA ARG A 19 -0.180 -26.489 19.677 1.00 11.54 C ATOM 307 C ARG A 19 -1.247 -26.949 18.667 1.00 33.03 C ATOM 308 O ARG A 19 -2.197 -26.223 18.370 1.00 2.34 O ATOM 309 CB ARG A 19 1.022 -25.939 18.899 1.00 4.24 C ATOM 310 CG ARG A 19 2.133 -25.355 19.765 1.00 44.41 C ATOM 311 CD ARG A 19 1.742 -24.023 20.398 1.00 21.42 C ATOM 312 NE ARG A 19 2.913 -23.319 20.921 1.00 63.22 N ATOM 313 CZ ARG A 19 3.383 -22.205 20.422 1.00 71.41 C ATOM 314 NH1 ARG A 19 2.748 -21.579 19.481 1.00 32.14 N ATOM 315 NH2 ARG A 19 4.482 -21.702 20.875 1.00 33.33 N ATOM 0 H ARG A 19 1.197 -27.920 20.370 1.00 54.41 H new ATOM 0 HA ARG A 19 -0.615 -25.718 20.312 1.00 11.54 H new ATOM 0 HB2 ARG A 19 1.439 -26.740 18.289 1.00 4.24 H new ATOM 0 HB3 ARG A 19 0.671 -25.167 18.214 1.00 4.24 H new ATOM 0 HG2 ARG A 19 2.388 -26.066 20.551 1.00 44.41 H new ATOM 0 HG3 ARG A 19 3.028 -25.216 19.158 1.00 44.41 H new ATOM 0 HD2 ARG A 19 1.241 -23.399 19.658 1.00 21.42 H new ATOM 0 HD3 ARG A 19 1.029 -24.196 21.204 1.00 21.42 H new ATOM 0 HE ARG A 19 3.393 -23.722 21.725 1.00 63.22 H new ATOM 0 HH11 ARG A 19 1.871 -21.954 19.121 1.00 32.14 H new ATOM 0 HH12 ARG A 19 3.126 -20.711 19.101 1.00 32.14 H new ATOM 0 HH21 ARG A 19 4.988 -22.173 21.625 1.00 33.33 H new ATOM 0 HH22 ARG A 19 4.845 -20.833 20.483 1.00 33.33 H new ATOM 329 N THR A 20 -1.073 -28.156 18.133 1.00 12.14 N ATOM 330 CA THR A 20 -1.939 -28.668 17.056 1.00 54.04 C ATOM 331 C THR A 20 -3.121 -29.489 17.590 1.00 32.50 C ATOM 332 O THR A 20 -4.194 -29.515 16.984 1.00 32.44 O ATOM 333 CB THR A 20 -1.138 -29.563 16.080 1.00 33.35 C ATOM 334 OG1 THR A 20 -0.623 -30.709 16.783 1.00 74.11 O ATOM 335 CG2 THR A 20 0.016 -28.794 15.439 1.00 40.20 C ATOM 0 H THR A 20 -0.341 -28.804 18.424 1.00 12.14 H new ATOM 0 HA THR A 20 -2.324 -27.788 16.541 1.00 54.04 H new ATOM 0 HB THR A 20 -1.813 -29.887 15.288 1.00 33.35 H new ATOM 0 HG1 THR A 20 0.119 -30.432 17.361 1.00 74.11 H new ATOM 0 HG21 THR A 20 0.558 -29.451 14.759 1.00 40.20 H new ATOM 0 HG22 THR A 20 -0.378 -27.943 14.884 1.00 40.20 H new ATOM 0 HG23 THR A 20 0.692 -28.438 16.216 1.00 40.20 H new ATOM 343 N GLY A 21 -2.927 -30.154 18.725 1.00 70.14 N ATOM 344 CA GLY A 21 -3.962 -31.027 19.269 1.00 5.31 C ATOM 345 C GLY A 21 -3.813 -32.478 18.816 1.00 74.31 C ATOM 346 O GLY A 21 -4.608 -33.339 19.195 1.00 20.34 O ATOM 0 H GLY A 21 -2.073 -30.107 19.281 1.00 70.14 H new ATOM 0 HA2 GLY A 21 -3.929 -30.986 20.358 1.00 5.31 H new ATOM 0 HA3 GLY A 21 -4.941 -30.655 18.965 1.00 5.31 H new ATOM 350 N LEU A 22 -2.798 -32.747 17.997 1.00 60.42 N ATOM 351 CA LEU A 22 -2.511 -34.110 17.531 1.00 31.42 C ATOM 352 C LEU A 22 -1.897 -34.966 18.649 1.00 74.14 C ATOM 353 O LEU A 22 -1.311 -34.445 19.597 1.00 3.35 O ATOM 354 CB LEU A 22 -1.554 -34.075 16.324 1.00 22.53 C ATOM 355 CG LEU A 22 -2.198 -33.795 14.953 1.00 40.05 C ATOM 356 CD1 LEU A 22 -2.933 -32.456 14.932 1.00 1.44 C ATOM 357 CD2 LEU A 22 -1.139 -33.842 13.852 1.00 42.04 C ATOM 0 H LEU A 22 -2.156 -32.039 17.639 1.00 60.42 H new ATOM 0 HA LEU A 22 -3.457 -34.561 17.231 1.00 31.42 H new ATOM 0 HB2 LEU A 22 -0.797 -33.313 16.509 1.00 22.53 H new ATOM 0 HB3 LEU A 22 -1.036 -35.032 16.270 1.00 22.53 H new ATOM 0 HG LEU A 22 -2.937 -34.575 14.770 1.00 40.05 H new ATOM 0 HD11 LEU A 22 -3.372 -32.298 13.947 1.00 1.44 H new ATOM 0 HD12 LEU A 22 -3.722 -32.462 15.684 1.00 1.44 H new ATOM 0 HD13 LEU A 22 -2.230 -31.652 15.149 1.00 1.44 H new ATOM 0 HD21 LEU A 22 -1.607 -33.643 12.888 1.00 42.04 H new ATOM 0 HD22 LEU A 22 -0.377 -33.088 14.048 1.00 42.04 H new ATOM 0 HD23 LEU A 22 -0.677 -34.829 13.834 1.00 42.04 H new ATOM 369 N GLY A 23 -2.036 -36.283 18.529 1.00 34.34 N ATOM 370 CA GLY A 23 -1.423 -37.200 19.484 1.00 31.33 C ATOM 371 C GLY A 23 -0.161 -37.853 18.932 1.00 15.52 C ATOM 372 O GLY A 23 0.058 -37.867 17.716 1.00 72.22 O ATOM 0 H GLY A 23 -2.565 -36.737 17.784 1.00 34.34 H new ATOM 0 HA2 GLY A 23 -1.179 -36.659 20.398 1.00 31.33 H new ATOM 0 HA3 GLY A 23 -2.142 -37.974 19.754 1.00 31.33 H new ATOM 376 N ALA A 24 0.663 -38.411 19.816 1.00 61.43 N ATOM 377 CA ALA A 24 1.927 -39.040 19.412 1.00 3.13 C ATOM 378 C ALA A 24 1.691 -40.169 18.397 1.00 64.20 C ATOM 379 O ALA A 24 2.419 -40.294 17.410 1.00 53.30 O ATOM 380 CB ALA A 24 2.664 -39.567 20.638 1.00 34.41 C ATOM 0 H ALA A 24 0.481 -38.442 20.819 1.00 61.43 H new ATOM 0 HA ALA A 24 2.543 -38.283 18.926 1.00 3.13 H new ATOM 0 HB1 ALA A 24 3.600 -40.032 20.328 1.00 34.41 H new ATOM 0 HB2 ALA A 24 2.876 -38.742 21.318 1.00 34.41 H new ATOM 0 HB3 ALA A 24 2.043 -40.305 21.146 1.00 34.41 H new ATOM 386 N ARG A 25 0.646 -40.966 18.636 1.00 64.52 N ATOM 387 CA ARG A 25 0.258 -42.055 17.726 1.00 34.20 C ATOM 388 C ARG A 25 -0.009 -41.533 16.305 1.00 62.42 C ATOM 389 O ARG A 25 0.219 -42.232 15.316 1.00 21.22 O ATOM 390 CB ARG A 25 -0.999 -42.766 18.256 1.00 2.20 C ATOM 391 CG ARG A 25 -2.230 -41.862 18.344 1.00 44.54 C ATOM 392 CD ARG A 25 -3.456 -42.606 18.871 1.00 33.22 C ATOM 393 NE ARG A 25 -4.634 -41.738 18.938 1.00 15.43 N ATOM 394 CZ ARG A 25 -5.597 -41.869 19.814 1.00 41.32 C ATOM 395 NH1 ARG A 25 -5.553 -42.816 20.698 1.00 64.01 N ATOM 396 NH2 ARG A 25 -6.602 -41.051 19.799 1.00 42.40 N ATOM 0 H ARG A 25 0.048 -40.879 19.457 1.00 64.52 H new ATOM 0 HA ARG A 25 1.088 -42.760 17.682 1.00 34.20 H new ATOM 0 HB2 ARG A 25 -1.227 -43.612 17.608 1.00 2.20 H new ATOM 0 HB3 ARG A 25 -0.786 -43.171 19.245 1.00 2.20 H new ATOM 0 HG2 ARG A 25 -2.012 -41.017 18.997 1.00 44.54 H new ATOM 0 HG3 ARG A 25 -2.451 -41.455 17.357 1.00 44.54 H new ATOM 0 HD2 ARG A 25 -3.669 -43.458 18.225 1.00 33.22 H new ATOM 0 HD3 ARG A 25 -3.241 -43.004 19.863 1.00 33.22 H new ATOM 0 HE ARG A 25 -4.708 -40.982 18.257 1.00 15.43 H new ATOM 0 HH11 ARG A 25 -4.765 -43.463 20.713 1.00 64.01 H new ATOM 0 HH12 ARG A 25 -6.306 -42.914 21.379 1.00 64.01 H new ATOM 0 HH21 ARG A 25 -6.642 -40.305 19.104 1.00 42.40 H new ATOM 0 HH22 ARG A 25 -7.353 -41.153 20.482 1.00 42.40 H new ATOM 410 N GLN A 26 -0.495 -40.299 16.217 1.00 3.01 N ATOM 411 CA GLN A 26 -0.836 -39.687 14.933 1.00 71.00 C ATOM 412 C GLN A 26 0.409 -39.072 14.273 1.00 11.54 C ATOM 413 O GLN A 26 0.637 -39.233 13.073 1.00 63.42 O ATOM 414 CB GLN A 26 -1.913 -38.612 15.145 1.00 40.52 C ATOM 415 CG GLN A 26 -2.654 -38.213 13.875 1.00 43.11 C ATOM 416 CD GLN A 26 -3.661 -37.097 14.111 1.00 40.41 C ATOM 417 OE1 GLN A 26 -4.184 -36.935 15.210 1.00 3.41 O ATOM 418 NE2 GLN A 26 -3.960 -36.333 13.081 1.00 42.12 N ATOM 0 H GLN A 26 -0.663 -39.698 17.024 1.00 3.01 H new ATOM 0 HA GLN A 26 -1.223 -40.459 14.268 1.00 71.00 H new ATOM 0 HB2 GLN A 26 -2.636 -38.976 15.875 1.00 40.52 H new ATOM 0 HB3 GLN A 26 -1.446 -37.725 15.574 1.00 40.52 H new ATOM 0 HG2 GLN A 26 -1.933 -37.893 13.123 1.00 43.11 H new ATOM 0 HG3 GLN A 26 -3.170 -39.084 13.471 1.00 43.11 H new ATOM 0 HE21 GLN A 26 -3.509 -36.492 12.180 1.00 42.12 H new ATOM 0 HE22 GLN A 26 -4.643 -35.582 13.184 1.00 42.12 H new ATOM 427 N ILE A 27 1.221 -38.383 15.075 1.00 64.41 N ATOM 428 CA ILE A 27 2.440 -37.736 14.580 1.00 4.32 C ATOM 429 C ILE A 27 3.445 -38.763 14.030 1.00 21.22 C ATOM 430 O ILE A 27 3.985 -38.586 12.936 1.00 11.43 O ATOM 431 CB ILE A 27 3.116 -36.885 15.685 1.00 62.44 C ATOM 432 CG1 ILE A 27 2.133 -35.818 16.209 1.00 53.34 C ATOM 433 CG2 ILE A 27 4.393 -36.226 15.155 1.00 32.34 C ATOM 434 CD1 ILE A 27 2.692 -34.957 17.326 1.00 40.34 C ATOM 0 H ILE A 27 1.057 -38.257 16.074 1.00 64.41 H new ATOM 0 HA ILE A 27 2.137 -37.078 13.765 1.00 4.32 H new ATOM 0 HB ILE A 27 3.391 -37.542 16.510 1.00 62.44 H new ATOM 0 HG12 ILE A 27 1.838 -35.174 15.381 1.00 53.34 H new ATOM 0 HG13 ILE A 27 1.230 -36.314 16.564 1.00 53.34 H new ATOM 0 HG21 ILE A 27 4.852 -35.633 15.946 1.00 32.34 H new ATOM 0 HG22 ILE A 27 5.091 -36.996 14.827 1.00 32.34 H new ATOM 0 HG23 ILE A 27 4.146 -35.579 14.314 1.00 32.34 H new ATOM 0 HD11 ILE A 27 1.940 -34.233 17.638 1.00 40.34 H new ATOM 0 HD12 ILE A 27 2.961 -35.589 18.173 1.00 40.34 H new ATOM 0 HD13 ILE A 27 3.578 -34.430 16.971 1.00 40.34 H new ATOM 446 N GLU A 28 3.684 -39.846 14.777 1.00 53.42 N ATOM 447 CA GLU A 28 4.606 -40.901 14.326 1.00 1.01 C ATOM 448 C GLU A 28 4.146 -41.512 12.990 1.00 54.50 C ATOM 449 O GLU A 28 4.966 -41.888 12.150 1.00 63.44 O ATOM 450 CB GLU A 28 4.749 -42.002 15.388 1.00 3.24 C ATOM 451 CG GLU A 28 3.456 -42.755 15.688 1.00 54.13 C ATOM 452 CD GLU A 28 3.651 -43.888 16.681 1.00 21.40 C ATOM 453 OE1 GLU A 28 3.755 -43.612 17.896 1.00 50.25 O ATOM 454 OE2 GLU A 28 3.709 -45.063 16.255 1.00 21.12 O ATOM 0 H GLU A 28 3.258 -40.017 15.688 1.00 53.42 H new ATOM 0 HA GLU A 28 5.580 -40.436 14.174 1.00 1.01 H new ATOM 0 HB2 GLU A 28 5.503 -42.716 15.056 1.00 3.24 H new ATOM 0 HB3 GLU A 28 5.118 -41.555 16.311 1.00 3.24 H new ATOM 0 HG2 GLU A 28 2.717 -42.057 16.081 1.00 54.13 H new ATOM 0 HG3 GLU A 28 3.052 -43.158 14.759 1.00 54.13 H new ATOM 461 N SER A 29 2.832 -41.598 12.795 1.00 22.05 N ATOM 462 CA SER A 29 2.271 -42.086 11.529 1.00 64.20 C ATOM 463 C SER A 29 2.577 -41.109 10.384 1.00 74.34 C ATOM 464 O SER A 29 2.795 -41.516 9.240 1.00 72.25 O ATOM 465 CB SER A 29 0.755 -42.291 11.652 1.00 12.15 C ATOM 466 OG SER A 29 0.222 -42.907 10.488 1.00 62.40 O ATOM 0 H SER A 29 2.135 -41.338 13.492 1.00 22.05 H new ATOM 0 HA SER A 29 2.738 -43.045 11.303 1.00 64.20 H new ATOM 0 HB2 SER A 29 0.539 -42.908 12.524 1.00 12.15 H new ATOM 0 HB3 SER A 29 0.268 -41.329 11.813 1.00 12.15 H new ATOM 0 HG SER A 29 -0.745 -43.027 10.595 1.00 62.40 H new ATOM 472 N TYR A 30 2.605 -39.814 10.709 1.00 20.42 N ATOM 473 CA TYR A 30 2.943 -38.770 9.733 1.00 75.53 C ATOM 474 C TYR A 30 4.456 -38.702 9.461 1.00 63.12 C ATOM 475 O TYR A 30 4.874 -38.404 8.341 1.00 34.25 O ATOM 476 CB TYR A 30 2.447 -37.397 10.208 1.00 44.24 C ATOM 477 CG TYR A 30 0.934 -37.238 10.231 1.00 21.11 C ATOM 478 CD1 TYR A 30 0.108 -38.006 9.412 1.00 23.12 C ATOM 479 CD2 TYR A 30 0.332 -36.304 11.070 1.00 13.23 C ATOM 480 CE1 TYR A 30 -1.267 -37.846 9.433 1.00 53.22 C ATOM 481 CE2 TYR A 30 -1.038 -36.140 11.092 1.00 32.44 C ATOM 482 CZ TYR A 30 -1.832 -36.910 10.274 1.00 71.00 C ATOM 483 OH TYR A 30 -3.200 -36.744 10.296 1.00 34.41 O ATOM 0 H TYR A 30 2.397 -39.461 11.643 1.00 20.42 H new ATOM 0 HA TYR A 30 2.441 -39.036 8.803 1.00 75.53 H new ATOM 0 HB2 TYR A 30 2.833 -37.214 11.211 1.00 44.24 H new ATOM 0 HB3 TYR A 30 2.869 -36.629 9.559 1.00 44.24 H new ATOM 0 HD1 TYR A 30 0.548 -38.738 8.750 1.00 23.12 H new ATOM 0 HD2 TYR A 30 0.949 -35.697 11.716 1.00 13.23 H new ATOM 0 HE1 TYR A 30 -1.894 -38.451 8.794 1.00 53.22 H new ATOM 0 HE2 TYR A 30 -1.486 -35.409 11.749 1.00 32.44 H new ATOM 0 HH TYR A 30 -3.636 -37.594 10.078 1.00 34.41 H new ATOM 493 N ARG A 31 5.276 -38.977 10.481 1.00 65.42 N ATOM 494 CA ARG A 31 6.741 -38.921 10.327 1.00 73.43 C ATOM 495 C ARG A 31 7.230 -39.828 9.190 1.00 41.43 C ATOM 496 O ARG A 31 8.187 -39.509 8.485 1.00 1.21 O ATOM 497 CB ARG A 31 7.462 -39.337 11.616 1.00 34.03 C ATOM 498 CG ARG A 31 7.176 -38.466 12.839 1.00 41.44 C ATOM 499 CD ARG A 31 8.148 -38.791 13.977 1.00 15.54 C ATOM 500 NE ARG A 31 7.523 -38.752 15.295 1.00 62.14 N ATOM 501 CZ ARG A 31 7.515 -39.762 16.124 1.00 23.11 C ATOM 502 NH1 ARG A 31 7.993 -40.911 15.766 1.00 34.44 N ATOM 503 NH2 ARG A 31 7.020 -39.631 17.306 1.00 24.24 N ATOM 0 H ARG A 31 4.959 -39.238 11.414 1.00 65.42 H new ATOM 0 HA ARG A 31 6.978 -37.883 10.092 1.00 73.43 H new ATOM 0 HB2 ARG A 31 7.186 -40.365 11.851 1.00 34.03 H new ATOM 0 HB3 ARG A 31 8.536 -39.330 11.430 1.00 34.03 H new ATOM 0 HG2 ARG A 31 7.263 -37.413 12.570 1.00 41.44 H new ATOM 0 HG3 ARG A 31 6.151 -38.626 13.173 1.00 41.44 H new ATOM 0 HD2 ARG A 31 8.572 -39.781 13.812 1.00 15.54 H new ATOM 0 HD3 ARG A 31 8.975 -38.082 13.953 1.00 15.54 H new ATOM 0 HE ARG A 31 7.067 -37.887 15.586 1.00 62.14 H new ATOM 0 HH11 ARG A 31 8.380 -41.033 14.830 1.00 34.44 H new ATOM 0 HH12 ARG A 31 7.983 -41.694 16.420 1.00 34.44 H new ATOM 0 HH21 ARG A 31 6.631 -38.735 17.600 1.00 24.24 H new ATOM 0 HH22 ARG A 31 7.017 -40.423 17.948 1.00 24.24 H new ATOM 517 N GLN A 32 6.555 -40.957 9.022 1.00 20.03 N ATOM 518 CA GLN A 32 6.981 -41.993 8.079 1.00 1.32 C ATOM 519 C GLN A 32 6.636 -41.656 6.614 1.00 74.25 C ATOM 520 O GLN A 32 6.948 -42.431 5.705 1.00 32.03 O ATOM 521 CB GLN A 32 6.344 -43.327 8.491 1.00 73.05 C ATOM 522 CG GLN A 32 6.763 -43.784 9.887 1.00 11.45 C ATOM 523 CD GLN A 32 5.956 -44.967 10.391 1.00 12.53 C ATOM 524 OE1 GLN A 32 6.305 -46.121 10.162 1.00 34.34 O ATOM 525 NE2 GLN A 32 4.878 -44.692 11.097 1.00 3.24 N ATOM 0 H GLN A 32 5.700 -41.184 9.531 1.00 20.03 H new ATOM 0 HA GLN A 32 8.068 -42.059 8.123 1.00 1.32 H new ATOM 0 HB2 GLN A 32 5.259 -43.231 8.457 1.00 73.05 H new ATOM 0 HB3 GLN A 32 6.619 -44.093 7.766 1.00 73.05 H new ATOM 0 HG2 GLN A 32 7.820 -44.051 9.874 1.00 11.45 H new ATOM 0 HG3 GLN A 32 6.653 -42.953 10.584 1.00 11.45 H new ATOM 0 HE21 GLN A 32 4.615 -43.722 11.270 1.00 3.24 H new ATOM 0 HE22 GLN A 32 4.306 -45.449 11.471 1.00 3.24 H new ATOM 534 N GLY A 33 6.012 -40.501 6.382 1.00 61.31 N ATOM 535 CA GLY A 33 5.642 -40.117 5.020 1.00 70.31 C ATOM 536 C GLY A 33 5.398 -38.620 4.847 1.00 23.34 C ATOM 537 O GLY A 33 6.026 -37.974 4.006 1.00 2.04 O ATOM 0 H GLY A 33 5.756 -39.827 7.104 1.00 61.31 H new ATOM 0 HA2 GLY A 33 6.433 -40.428 4.337 1.00 70.31 H new ATOM 0 HA3 GLY A 33 4.741 -40.658 4.732 1.00 70.31 H new ATOM 541 N ALA A 34 4.481 -38.072 5.640 1.00 4.35 N ATOM 542 CA ALA A 34 4.085 -36.659 5.529 1.00 35.23 C ATOM 543 C ALA A 34 5.200 -35.690 5.967 1.00 13.12 C ATOM 544 O ALA A 34 5.375 -34.619 5.380 1.00 45.43 O ATOM 545 CB ALA A 34 2.823 -36.414 6.348 1.00 50.01 C ATOM 0 H ALA A 34 3.991 -38.584 6.374 1.00 4.35 H new ATOM 0 HA ALA A 34 3.891 -36.459 4.475 1.00 35.23 H new ATOM 0 HB1 ALA A 34 2.532 -35.367 6.264 1.00 50.01 H new ATOM 0 HB2 ALA A 34 2.018 -37.046 5.973 1.00 50.01 H new ATOM 0 HB3 ALA A 34 3.015 -36.654 7.394 1.00 50.01 H new ATOM 551 N TRP A 35 5.942 -36.060 7.007 1.00 14.52 N ATOM 552 CA TRP A 35 7.037 -35.222 7.514 1.00 63.31 C ATOM 553 C TRP A 35 8.238 -35.227 6.557 1.00 72.41 C ATOM 554 O TRP A 35 8.947 -36.228 6.434 1.00 5.03 O ATOM 555 CB TRP A 35 7.484 -35.702 8.903 1.00 45.22 C ATOM 556 CG TRP A 35 6.643 -35.229 10.069 1.00 54.31 C ATOM 557 CD1 TRP A 35 7.040 -35.209 11.375 1.00 23.23 C ATOM 558 CD2 TRP A 35 5.298 -34.705 10.059 1.00 40.02 C ATOM 559 NE1 TRP A 35 6.038 -34.720 12.173 1.00 24.33 N ATOM 560 CE2 TRP A 35 4.962 -34.402 11.394 1.00 75.43 C ATOM 561 CE3 TRP A 35 4.346 -34.464 9.065 1.00 42.12 C ATOM 562 CZ2 TRP A 35 3.724 -33.873 11.752 1.00 51.34 C ATOM 563 CZ3 TRP A 35 3.118 -33.937 9.421 1.00 21.31 C ATOM 564 CH2 TRP A 35 2.816 -33.646 10.755 1.00 21.44 C ATOM 0 H TRP A 35 5.809 -36.933 7.518 1.00 14.52 H new ATOM 0 HA TRP A 35 6.660 -34.202 7.588 1.00 63.31 H new ATOM 0 HB2 TRP A 35 7.491 -36.792 8.904 1.00 45.22 H new ATOM 0 HB3 TRP A 35 8.511 -35.376 9.065 1.00 45.22 H new ATOM 0 HD1 TRP A 35 8.007 -35.533 11.730 1.00 23.23 H new ATOM 0 HE1 TRP A 35 6.088 -34.611 13.186 1.00 24.33 H new ATOM 0 HE3 TRP A 35 4.566 -34.687 8.031 1.00 42.12 H new ATOM 0 HZ2 TRP A 35 3.489 -33.650 12.782 1.00 51.34 H new ATOM 0 HZ3 TRP A 35 2.380 -33.747 8.656 1.00 21.31 H new ATOM 0 HH2 TRP A 35 1.848 -33.235 11.002 1.00 21.44 H new ATOM 575 N ILE A 36 8.456 -34.101 5.885 1.00 75.41 N ATOM 576 CA ILE A 36 9.604 -33.930 4.987 1.00 23.45 C ATOM 577 C ILE A 36 10.637 -32.966 5.601 1.00 61.04 C ATOM 578 O ILE A 36 10.302 -31.823 5.934 1.00 51.14 O ATOM 579 CB ILE A 36 9.145 -33.370 3.614 1.00 20.44 C ATOM 580 CG1 ILE A 36 8.049 -34.263 3.007 1.00 32.11 C ATOM 581 CG2 ILE A 36 10.332 -33.242 2.658 1.00 23.22 C ATOM 582 CD1 ILE A 36 7.456 -33.718 1.724 1.00 50.24 C ATOM 0 H ILE A 36 7.849 -33.283 5.943 1.00 75.41 H new ATOM 0 HA ILE A 36 10.062 -34.909 4.845 1.00 23.45 H new ATOM 0 HB ILE A 36 8.728 -32.375 3.771 1.00 20.44 H new ATOM 0 HG12 ILE A 36 8.465 -35.251 2.813 1.00 32.11 H new ATOM 0 HG13 ILE A 36 7.252 -34.391 3.739 1.00 32.11 H new ATOM 0 HG21 ILE A 36 9.988 -32.848 1.702 1.00 23.22 H new ATOM 0 HG22 ILE A 36 11.072 -32.565 3.085 1.00 23.22 H new ATOM 0 HG23 ILE A 36 10.783 -34.222 2.505 1.00 23.22 H new ATOM 0 HD11 ILE A 36 6.691 -34.402 1.357 1.00 50.24 H new ATOM 0 HD12 ILE A 36 7.009 -32.743 1.916 1.00 50.24 H new ATOM 0 HD13 ILE A 36 8.241 -33.616 0.975 1.00 50.24 H new ATOM 594 N GLU A 37 11.884 -33.420 5.755 1.00 2.42 N ATOM 595 CA GLU A 37 12.945 -32.574 6.329 1.00 33.33 C ATOM 596 C GLU A 37 13.254 -31.373 5.421 1.00 13.02 C ATOM 597 O GLU A 37 13.057 -31.433 4.205 1.00 51.12 O ATOM 598 CB GLU A 37 14.226 -33.384 6.574 1.00 61.42 C ATOM 599 CG GLU A 37 14.920 -33.865 5.303 1.00 34.12 C ATOM 600 CD GLU A 37 16.280 -34.482 5.585 1.00 13.32 C ATOM 601 OE1 GLU A 37 17.271 -33.726 5.685 1.00 71.44 O ATOM 602 OE2 GLU A 37 16.365 -35.723 5.713 1.00 70.21 O ATOM 0 H GLU A 37 12.186 -34.359 5.494 1.00 2.42 H new ATOM 0 HA GLU A 37 12.578 -32.201 7.285 1.00 33.33 H new ATOM 0 HB2 GLU A 37 14.924 -32.773 7.146 1.00 61.42 H new ATOM 0 HB3 GLU A 37 13.982 -34.249 7.190 1.00 61.42 H new ATOM 0 HG2 GLU A 37 14.288 -34.598 4.802 1.00 34.12 H new ATOM 0 HG3 GLU A 37 15.040 -33.026 4.617 1.00 34.12 H new ATOM 609 N GLY A 38 13.717 -30.279 6.017 1.00 75.34 N ATOM 610 CA GLY A 38 13.981 -29.058 5.256 1.00 70.55 C ATOM 611 C GLY A 38 12.711 -28.270 4.932 1.00 2.35 C ATOM 612 O GLY A 38 12.711 -27.036 4.946 1.00 53.24 O ATOM 0 H GLY A 38 13.916 -30.210 7.015 1.00 75.34 H new ATOM 0 HA2 GLY A 38 14.661 -28.423 5.823 1.00 70.55 H new ATOM 0 HA3 GLY A 38 14.488 -29.318 4.327 1.00 70.55 H new ATOM 616 N VAL A 39 11.633 -28.988 4.617 1.00 74.31 N ATOM 617 CA VAL A 39 10.339 -28.366 4.323 1.00 30.43 C ATOM 618 C VAL A 39 9.485 -28.189 5.594 1.00 52.35 C ATOM 619 O VAL A 39 9.219 -27.071 6.018 1.00 64.13 O ATOM 620 CB VAL A 39 9.539 -29.196 3.283 1.00 73.44 C ATOM 621 CG1 VAL A 39 8.244 -28.483 2.894 1.00 32.42 C ATOM 622 CG2 VAL A 39 10.391 -29.482 2.047 1.00 52.12 C ATOM 0 H VAL A 39 11.629 -30.006 4.558 1.00 74.31 H new ATOM 0 HA VAL A 39 10.556 -27.382 3.909 1.00 30.43 H new ATOM 0 HB VAL A 39 9.275 -30.148 3.743 1.00 73.44 H new ATOM 0 HG11 VAL A 39 7.702 -29.085 2.165 1.00 32.42 H new ATOM 0 HG12 VAL A 39 7.625 -28.343 3.780 1.00 32.42 H new ATOM 0 HG13 VAL A 39 8.480 -27.512 2.459 1.00 32.42 H new ATOM 0 HG21 VAL A 39 9.810 -30.065 1.332 1.00 52.12 H new ATOM 0 HG22 VAL A 39 10.693 -28.541 1.588 1.00 52.12 H new ATOM 0 HG23 VAL A 39 11.278 -30.045 2.339 1.00 52.12 H new ATOM 632 N HIS A 40 9.064 -29.300 6.207 1.00 60.23 N ATOM 633 CA HIS A 40 8.154 -29.245 7.363 1.00 72.42 C ATOM 634 C HIS A 40 8.885 -29.367 8.714 1.00 13.13 C ATOM 635 O HIS A 40 8.298 -29.086 9.758 1.00 43.13 O ATOM 636 CB HIS A 40 7.082 -30.338 7.250 1.00 71.21 C ATOM 637 CG HIS A 40 6.127 -30.153 6.099 1.00 74.12 C ATOM 638 ND1 HIS A 40 5.961 -28.959 5.422 1.00 15.45 N ATOM 639 CD2 HIS A 40 5.274 -31.028 5.509 1.00 44.45 C ATOM 640 CE1 HIS A 40 5.051 -29.109 4.480 1.00 51.14 C ATOM 641 NE2 HIS A 40 4.622 -30.351 4.510 1.00 5.24 N ATOM 0 H HIS A 40 9.334 -30.243 5.927 1.00 60.23 H new ATOM 0 HA HIS A 40 7.686 -28.261 7.342 1.00 72.42 H new ATOM 0 HB2 HIS A 40 7.575 -31.305 7.146 1.00 71.21 H new ATOM 0 HB3 HIS A 40 6.512 -30.369 8.179 1.00 71.21 H new ATOM 0 HD1 HIS A 40 6.465 -28.095 5.621 1.00 15.45 H new ATOM 0 HD2 HIS A 40 5.134 -32.065 5.776 1.00 44.45 H new ATOM 0 HE1 HIS A 40 4.715 -28.341 3.799 1.00 51.14 H new ATOM 650 N PHE A 41 10.147 -29.797 8.705 1.00 70.23 N ATOM 651 CA PHE A 41 10.934 -29.881 9.950 1.00 24.14 C ATOM 652 C PHE A 41 12.442 -29.906 9.670 1.00 34.12 C ATOM 653 O PHE A 41 12.868 -30.019 8.520 1.00 22.35 O ATOM 654 CB PHE A 41 10.536 -31.124 10.771 1.00 20.23 C ATOM 655 CG PHE A 41 11.018 -32.440 10.198 1.00 25.53 C ATOM 656 CD1 PHE A 41 12.254 -32.960 10.561 1.00 55.22 C ATOM 657 CD2 PHE A 41 10.237 -33.157 9.305 1.00 65.30 C ATOM 658 CE1 PHE A 41 12.700 -34.161 10.046 1.00 34.15 C ATOM 659 CE2 PHE A 41 10.681 -34.361 8.787 1.00 32.12 C ATOM 660 CZ PHE A 41 11.913 -34.862 9.157 1.00 2.32 C ATOM 0 H PHE A 41 10.647 -30.090 7.866 1.00 70.23 H new ATOM 0 HA PHE A 41 10.710 -28.985 10.528 1.00 24.14 H new ATOM 0 HB2 PHE A 41 10.930 -31.017 11.782 1.00 20.23 H new ATOM 0 HB3 PHE A 41 9.450 -31.155 10.854 1.00 20.23 H new ATOM 0 HD1 PHE A 41 12.876 -32.416 11.257 1.00 55.22 H new ATOM 0 HD2 PHE A 41 9.272 -32.772 9.010 1.00 65.30 H new ATOM 0 HE1 PHE A 41 13.664 -34.551 10.339 1.00 34.15 H new ATOM 0 HE2 PHE A 41 10.063 -34.910 8.092 1.00 32.12 H new ATOM 0 HZ PHE A 41 12.260 -35.801 8.751 1.00 2.32 H new ATOM 670 N LYS A 42 13.246 -29.812 10.733 1.00 55.30 N ATOM 671 CA LYS A 42 14.706 -29.906 10.611 1.00 75.01 C ATOM 672 C LYS A 42 15.345 -30.489 11.888 1.00 25.21 C ATOM 673 O LYS A 42 14.891 -30.234 13.007 1.00 0.20 O ATOM 674 CB LYS A 42 15.307 -28.528 10.257 1.00 1.33 C ATOM 675 CG LYS A 42 15.091 -27.429 11.307 1.00 33.43 C ATOM 676 CD LYS A 42 16.209 -27.387 12.354 1.00 42.34 C ATOM 677 CE LYS A 42 17.566 -27.088 11.724 1.00 55.12 C ATOM 678 NZ LYS A 42 17.589 -25.762 11.045 1.00 52.24 N ATOM 0 H LYS A 42 12.913 -29.671 11.687 1.00 55.30 H new ATOM 0 HA LYS A 42 14.934 -30.595 9.798 1.00 75.01 H new ATOM 0 HB2 LYS A 42 16.378 -28.648 10.096 1.00 1.33 H new ATOM 0 HB3 LYS A 42 14.878 -28.195 9.312 1.00 1.33 H new ATOM 0 HG2 LYS A 42 15.029 -26.462 10.808 1.00 33.43 H new ATOM 0 HG3 LYS A 42 14.136 -27.592 11.807 1.00 33.43 H new ATOM 0 HD2 LYS A 42 15.979 -26.626 13.100 1.00 42.34 H new ATOM 0 HD3 LYS A 42 16.254 -28.343 12.876 1.00 42.34 H new ATOM 0 HE2 LYS A 42 18.336 -27.114 12.495 1.00 55.12 H new ATOM 0 HE3 LYS A 42 17.810 -27.868 11.003 1.00 55.12 H new ATOM 0 HZ1 LYS A 42 18.566 -25.525 10.780 1.00 52.24 H new ATOM 0 HZ2 LYS A 42 16.998 -25.799 10.190 1.00 52.24 H new ATOM 0 HZ3 LYS A 42 17.219 -25.035 11.690 1.00 52.24 H new ATOM 692 N ARG A 43 16.399 -31.281 11.707 1.00 22.13 N ATOM 693 CA ARG A 43 17.102 -31.930 12.826 1.00 60.32 C ATOM 694 C ARG A 43 18.225 -31.033 13.387 1.00 63.31 C ATOM 695 O ARG A 43 18.944 -30.380 12.630 1.00 20.14 O ATOM 696 CB ARG A 43 17.676 -33.276 12.354 1.00 2.44 C ATOM 697 CG ARG A 43 18.633 -33.146 11.171 1.00 51.42 C ATOM 698 CD ARG A 43 19.019 -34.496 10.572 1.00 21.21 C ATOM 699 NE ARG A 43 19.951 -34.331 9.460 1.00 23.35 N ATOM 700 CZ ARG A 43 20.418 -35.308 8.733 1.00 63.11 C ATOM 701 NH1 ARG A 43 20.036 -36.527 8.932 1.00 62.13 N ATOM 702 NH2 ARG A 43 21.260 -35.057 7.786 1.00 70.45 N ATOM 0 H ARG A 43 16.792 -31.494 10.790 1.00 22.13 H new ATOM 0 HA ARG A 43 16.388 -32.098 13.632 1.00 60.32 H new ATOM 0 HB2 ARG A 43 18.199 -33.751 13.184 1.00 2.44 H new ATOM 0 HB3 ARG A 43 16.854 -33.936 12.076 1.00 2.44 H new ATOM 0 HG2 ARG A 43 18.169 -32.531 10.400 1.00 51.42 H new ATOM 0 HG3 ARG A 43 19.535 -32.626 11.494 1.00 51.42 H new ATOM 0 HD2 ARG A 43 19.472 -35.122 11.341 1.00 21.21 H new ATOM 0 HD3 ARG A 43 18.124 -35.013 10.227 1.00 21.21 H new ATOM 0 HE ARG A 43 20.259 -33.385 9.236 1.00 23.35 H new ATOM 0 HH11 ARG A 43 19.360 -36.736 9.666 1.00 62.13 H new ATOM 0 HH12 ARG A 43 20.411 -37.280 8.355 1.00 62.13 H new ATOM 0 HH21 ARG A 43 21.557 -34.097 7.609 1.00 70.45 H new ATOM 0 HH22 ARG A 43 21.628 -35.818 7.215 1.00 70.45 H new ATOM 716 N VAL A 44 18.372 -31.000 14.715 1.00 74.54 N ATOM 717 CA VAL A 44 19.388 -30.153 15.362 1.00 23.31 C ATOM 718 C VAL A 44 20.480 -30.985 16.062 1.00 21.13 C ATOM 719 O VAL A 44 20.200 -31.761 16.980 1.00 34.02 O ATOM 720 CB VAL A 44 18.739 -29.199 16.398 1.00 23.14 C ATOM 721 CG1 VAL A 44 19.797 -28.330 17.077 1.00 2.15 C ATOM 722 CG2 VAL A 44 17.664 -28.332 15.742 1.00 62.44 C ATOM 0 H VAL A 44 17.805 -31.546 15.364 1.00 74.54 H new ATOM 0 HA VAL A 44 19.854 -29.571 14.567 1.00 23.31 H new ATOM 0 HB VAL A 44 18.261 -29.810 17.164 1.00 23.14 H new ATOM 0 HG11 VAL A 44 19.317 -27.670 17.799 1.00 2.15 H new ATOM 0 HG12 VAL A 44 20.516 -28.968 17.591 1.00 2.15 H new ATOM 0 HG13 VAL A 44 20.313 -27.732 16.326 1.00 2.15 H new ATOM 0 HG21 VAL A 44 17.224 -27.671 16.489 1.00 62.44 H new ATOM 0 HG22 VAL A 44 18.113 -27.734 14.948 1.00 62.44 H new ATOM 0 HG23 VAL A 44 16.888 -28.971 15.320 1.00 62.44 H new ATOM 732 N SER A 45 21.723 -30.827 15.605 1.00 11.12 N ATOM 733 CA SER A 45 22.884 -31.464 16.248 1.00 22.34 C ATOM 734 C SER A 45 23.518 -30.540 17.300 1.00 42.34 C ATOM 735 O SER A 45 23.481 -29.315 17.161 1.00 55.14 O ATOM 736 CB SER A 45 23.945 -31.837 15.199 1.00 22.43 C ATOM 737 OG SER A 45 25.127 -32.344 15.811 1.00 2.53 O ATOM 0 H SER A 45 21.957 -30.262 14.789 1.00 11.12 H new ATOM 0 HA SER A 45 22.526 -32.367 16.743 1.00 22.34 H new ATOM 0 HB2 SER A 45 23.538 -32.584 14.517 1.00 22.43 H new ATOM 0 HB3 SER A 45 24.191 -30.960 14.601 1.00 22.43 H new ATOM 0 HG SER A 45 25.177 -33.313 15.673 1.00 2.53 H new ATOM 743 N PRO A 46 24.112 -31.108 18.371 1.00 13.55 N ATOM 744 CA PRO A 46 24.902 -30.329 19.345 1.00 65.42 C ATOM 745 C PRO A 46 26.248 -29.856 18.760 1.00 43.33 C ATOM 746 O PRO A 46 27.050 -29.211 19.441 1.00 62.13 O ATOM 747 CB PRO A 46 25.126 -31.324 20.493 1.00 31.33 C ATOM 748 CG PRO A 46 25.054 -32.666 19.846 1.00 73.43 C ATOM 749 CD PRO A 46 24.042 -32.538 18.737 1.00 72.11 C ATOM 0 HA PRO A 46 24.393 -29.415 19.652 1.00 65.42 H new ATOM 0 HB2 PRO A 46 26.092 -31.166 20.972 1.00 31.33 H new ATOM 0 HB3 PRO A 46 24.365 -31.215 21.266 1.00 31.33 H new ATOM 0 HG2 PRO A 46 26.027 -32.963 19.454 1.00 73.43 H new ATOM 0 HG3 PRO A 46 24.753 -33.429 20.563 1.00 73.43 H new ATOM 0 HD2 PRO A 46 24.288 -33.181 17.892 1.00 72.11 H new ATOM 0 HD3 PRO A 46 23.043 -32.819 19.071 1.00 72.11 H new ATOM 757 N SER A 47 26.483 -30.195 17.493 1.00 61.53 N ATOM 758 CA SER A 47 27.693 -29.784 16.767 1.00 74.21 C ATOM 759 C SER A 47 27.333 -29.285 15.356 1.00 22.41 C ATOM 760 O SER A 47 26.165 -29.005 15.068 1.00 33.45 O ATOM 761 CB SER A 47 28.675 -30.962 16.671 1.00 73.43 C ATOM 762 OG SER A 47 28.118 -32.044 15.936 1.00 11.03 O ATOM 0 H SER A 47 25.843 -30.762 16.937 1.00 61.53 H new ATOM 0 HA SER A 47 28.165 -28.969 17.315 1.00 74.21 H new ATOM 0 HB2 SER A 47 29.597 -30.631 16.192 1.00 73.43 H new ATOM 0 HB3 SER A 47 28.940 -31.299 17.673 1.00 73.43 H new ATOM 0 HG SER A 47 27.142 -31.954 15.910 1.00 11.03 H new ATOM 768 N GLY A 48 28.336 -29.160 14.484 1.00 23.43 N ATOM 769 CA GLY A 48 28.093 -28.725 13.109 1.00 55.44 C ATOM 770 C GLY A 48 27.427 -29.793 12.240 1.00 40.02 C ATOM 771 O GLY A 48 26.293 -30.196 12.501 1.00 23.24 O ATOM 0 H GLY A 48 29.314 -29.352 14.703 1.00 23.43 H new ATOM 0 HA2 GLY A 48 27.463 -27.835 13.124 1.00 55.44 H new ATOM 0 HA3 GLY A 48 29.041 -28.437 12.654 1.00 55.44 H new ATOM 775 N GLU A 49 28.131 -30.256 11.206 1.00 13.52 N ATOM 776 CA GLU A 49 27.591 -31.277 10.293 1.00 21.10 C ATOM 777 C GLU A 49 27.946 -32.704 10.751 1.00 11.22 C ATOM 778 O GLU A 49 27.921 -33.648 9.954 1.00 52.11 O ATOM 779 CB GLU A 49 28.115 -31.049 8.867 1.00 55.25 C ATOM 780 CG GLU A 49 27.673 -29.729 8.239 1.00 24.02 C ATOM 781 CD GLU A 49 28.113 -29.599 6.787 1.00 15.43 C ATOM 782 OE1 GLU A 49 27.360 -30.036 5.889 1.00 43.30 O ATOM 783 OE2 GLU A 49 29.219 -29.078 6.534 1.00 73.10 O ATOM 0 H GLU A 49 29.075 -29.944 10.976 1.00 13.52 H new ATOM 0 HA GLU A 49 26.505 -31.179 10.305 1.00 21.10 H new ATOM 0 HB2 GLU A 49 29.204 -31.084 8.883 1.00 55.25 H new ATOM 0 HB3 GLU A 49 27.779 -31.870 8.233 1.00 55.25 H new ATOM 0 HG2 GLU A 49 26.587 -29.649 8.295 1.00 24.02 H new ATOM 0 HG3 GLU A 49 28.084 -28.900 8.816 1.00 24.02 H new ATOM 790 N LYS A 50 28.274 -32.858 12.032 1.00 45.13 N ATOM 791 CA LYS A 50 28.565 -34.176 12.607 1.00 21.15 C ATOM 792 C LYS A 50 27.259 -34.943 12.900 1.00 22.21 C ATOM 793 O LYS A 50 26.173 -34.508 12.503 1.00 71.43 O ATOM 794 CB LYS A 50 29.401 -34.008 13.886 1.00 2.13 C ATOM 795 CG LYS A 50 30.714 -33.260 13.663 1.00 12.34 C ATOM 796 CD LYS A 50 31.527 -33.117 14.951 1.00 70.51 C ATOM 797 CE LYS A 50 31.975 -34.466 15.506 1.00 34.32 C ATOM 798 NZ LYS A 50 32.849 -34.312 16.700 1.00 62.02 N ATOM 0 H LYS A 50 28.346 -32.087 12.695 1.00 45.13 H new ATOM 0 HA LYS A 50 29.138 -34.760 11.887 1.00 21.15 H new ATOM 0 HB2 LYS A 50 28.810 -33.474 14.629 1.00 2.13 H new ATOM 0 HB3 LYS A 50 29.619 -34.993 14.300 1.00 2.13 H new ATOM 0 HG2 LYS A 50 31.308 -33.788 12.918 1.00 12.34 H new ATOM 0 HG3 LYS A 50 30.502 -32.270 13.258 1.00 12.34 H new ATOM 0 HD2 LYS A 50 32.403 -32.497 14.758 1.00 70.51 H new ATOM 0 HD3 LYS A 50 30.928 -32.599 15.700 1.00 70.51 H new ATOM 0 HE2 LYS A 50 31.099 -35.058 15.771 1.00 34.32 H new ATOM 0 HE3 LYS A 50 32.510 -35.017 14.733 1.00 34.32 H new ATOM 0 HZ1 LYS A 50 33.132 -35.251 17.047 1.00 62.02 H new ATOM 0 HZ2 LYS A 50 33.697 -33.769 16.442 1.00 62.02 H new ATOM 0 HZ3 LYS A 50 32.330 -33.809 17.448 1.00 62.02 H new ATOM 812 N THR A 51 27.357 -36.092 13.571 1.00 75.34 N ATOM 813 CA THR A 51 26.166 -36.898 13.883 1.00 34.05 C ATOM 814 C THR A 51 25.187 -36.124 14.777 1.00 30.33 C ATOM 815 O THR A 51 25.591 -35.273 15.575 1.00 44.14 O ATOM 816 CB THR A 51 26.531 -38.237 14.571 1.00 5.42 C ATOM 817 OG1 THR A 51 27.528 -38.931 13.804 1.00 1.54 O ATOM 818 CG2 THR A 51 25.307 -39.134 14.718 1.00 14.50 C ATOM 0 H THR A 51 28.236 -36.485 13.907 1.00 75.34 H new ATOM 0 HA THR A 51 25.689 -37.118 12.928 1.00 34.05 H new ATOM 0 HB THR A 51 26.919 -38.004 15.563 1.00 5.42 H new ATOM 0 HG1 THR A 51 27.753 -39.775 14.248 1.00 1.54 H new ATOM 0 HG21 THR A 51 25.595 -40.066 15.204 1.00 14.50 H new ATOM 0 HG22 THR A 51 24.555 -38.627 15.322 1.00 14.50 H new ATOM 0 HG23 THR A 51 24.895 -39.351 13.733 1.00 14.50 H new ATOM 826 N LEU A 52 23.900 -36.422 14.634 1.00 62.00 N ATOM 827 CA LEU A 52 22.853 -35.720 15.376 1.00 64.30 C ATOM 828 C LEU A 52 22.887 -36.052 16.876 1.00 73.23 C ATOM 829 O LEU A 52 23.421 -35.282 17.672 1.00 0.30 O ATOM 830 CB LEU A 52 21.472 -36.046 14.787 1.00 35.24 C ATOM 831 CG LEU A 52 21.226 -35.547 13.351 1.00 53.30 C ATOM 832 CD1 LEU A 52 21.551 -34.058 13.232 1.00 51.14 C ATOM 833 CD2 LEU A 52 22.025 -36.368 12.335 1.00 3.14 C ATOM 0 H LEU A 52 23.553 -37.149 14.008 1.00 62.00 H new ATOM 0 HA LEU A 52 23.042 -34.651 15.275 1.00 64.30 H new ATOM 0 HB2 LEU A 52 21.335 -37.127 14.805 1.00 35.24 H new ATOM 0 HB3 LEU A 52 20.709 -35.617 15.437 1.00 35.24 H new ATOM 0 HG LEU A 52 20.168 -35.682 13.125 1.00 53.30 H new ATOM 0 HD11 LEU A 52 21.370 -33.727 12.209 1.00 51.14 H new ATOM 0 HD12 LEU A 52 20.917 -33.492 13.914 1.00 51.14 H new ATOM 0 HD13 LEU A 52 22.598 -33.893 13.487 1.00 51.14 H new ATOM 0 HD21 LEU A 52 21.831 -35.992 11.330 1.00 3.14 H new ATOM 0 HD22 LEU A 52 23.089 -36.283 12.555 1.00 3.14 H new ATOM 0 HD23 LEU A 52 21.724 -37.414 12.396 1.00 3.14 H new ATOM 845 N ARG A 53 22.302 -37.193 17.256 1.00 64.32 N ATOM 846 CA ARG A 53 22.243 -37.613 18.667 1.00 54.54 C ATOM 847 C ARG A 53 21.455 -36.612 19.536 1.00 32.40 C ATOM 848 O ARG A 53 21.494 -36.681 20.770 1.00 21.01 O ATOM 849 CB ARG A 53 23.660 -37.798 19.235 1.00 63.31 C ATOM 850 CG ARG A 53 24.451 -38.939 18.599 1.00 21.13 C ATOM 851 CD ARG A 53 23.755 -40.283 18.791 1.00 12.22 C ATOM 852 NE ARG A 53 23.393 -40.516 20.188 1.00 50.24 N ATOM 853 CZ ARG A 53 22.989 -41.658 20.664 1.00 75.03 C ATOM 854 NH1 ARG A 53 22.948 -42.715 19.917 1.00 22.02 N ATOM 855 NH2 ARG A 53 22.635 -41.739 21.903 1.00 75.13 N ATOM 0 H ARG A 53 21.861 -37.845 16.608 1.00 64.32 H new ATOM 0 HA ARG A 53 21.715 -38.566 18.696 1.00 54.54 H new ATOM 0 HB2 ARG A 53 24.215 -36.869 19.103 1.00 63.31 H new ATOM 0 HB3 ARG A 53 23.588 -37.976 20.308 1.00 63.31 H new ATOM 0 HG2 ARG A 53 24.579 -38.744 17.534 1.00 21.13 H new ATOM 0 HG3 ARG A 53 25.448 -38.979 19.038 1.00 21.13 H new ATOM 0 HD2 ARG A 53 22.858 -40.319 18.173 1.00 12.22 H new ATOM 0 HD3 ARG A 53 24.410 -41.083 18.448 1.00 12.22 H new ATOM 0 HE ARG A 53 23.462 -39.730 20.834 1.00 50.24 H new ATOM 0 HH11 ARG A 53 23.235 -42.660 18.940 1.00 22.02 H new ATOM 0 HH12 ARG A 53 22.629 -43.602 20.306 1.00 22.02 H new ATOM 0 HH21 ARG A 53 22.673 -40.912 22.499 1.00 75.13 H new ATOM 0 HH22 ARG A 53 22.317 -42.630 22.285 1.00 75.13 H new ATOM 869 N GLY A 54 20.720 -35.710 18.883 1.00 33.13 N ATOM 870 CA GLY A 54 19.999 -34.654 19.591 1.00 51.54 C ATOM 871 C GLY A 54 18.498 -34.643 19.302 1.00 61.21 C ATOM 872 O GLY A 54 17.872 -35.695 19.156 1.00 24.10 O ATOM 0 H GLY A 54 20.609 -35.690 17.869 1.00 33.13 H new ATOM 0 HA2 GLY A 54 20.154 -34.775 20.663 1.00 51.54 H new ATOM 0 HA3 GLY A 54 20.422 -33.688 19.315 1.00 51.54 H new ATOM 876 N THR A 55 17.916 -33.448 19.206 1.00 24.42 N ATOM 877 CA THR A 55 16.459 -33.301 19.059 1.00 43.22 C ATOM 878 C THR A 55 16.062 -32.780 17.666 1.00 64.13 C ATOM 879 O THR A 55 16.683 -31.862 17.128 1.00 73.11 O ATOM 880 CB THR A 55 15.886 -32.344 20.136 1.00 3.13 C ATOM 881 OG1 THR A 55 16.249 -32.803 21.451 1.00 41.51 O ATOM 882 CG2 THR A 55 14.366 -32.247 20.037 1.00 73.44 C ATOM 0 H THR A 55 18.426 -32.565 19.227 1.00 24.42 H new ATOM 0 HA THR A 55 16.037 -34.298 19.188 1.00 43.22 H new ATOM 0 HB THR A 55 16.310 -31.355 19.961 1.00 3.13 H new ATOM 0 HG1 THR A 55 15.884 -32.191 22.124 1.00 41.51 H new ATOM 0 HG21 THR A 55 13.994 -31.569 20.805 1.00 73.44 H new ATOM 0 HG22 THR A 55 14.089 -31.868 19.053 1.00 73.44 H new ATOM 0 HG23 THR A 55 13.928 -33.235 20.182 1.00 73.44 H new ATOM 890 N THR A 56 15.026 -33.384 17.083 1.00 44.11 N ATOM 891 CA THR A 56 14.466 -32.917 15.805 1.00 21.24 C ATOM 892 C THR A 56 13.321 -31.916 16.034 1.00 72.13 C ATOM 893 O THR A 56 12.296 -32.257 16.628 1.00 73.43 O ATOM 894 CB THR A 56 13.933 -34.095 14.951 1.00 12.32 C ATOM 895 OG1 THR A 56 15.010 -34.976 14.589 1.00 61.10 O ATOM 896 CG2 THR A 56 13.241 -33.596 13.686 1.00 32.02 C ATOM 0 H THR A 56 14.554 -34.200 17.473 1.00 44.11 H new ATOM 0 HA THR A 56 15.279 -32.427 15.269 1.00 21.24 H new ATOM 0 HB THR A 56 13.204 -34.636 15.555 1.00 12.32 H new ATOM 0 HG1 THR A 56 14.660 -35.717 14.051 1.00 61.10 H new ATOM 0 HG21 THR A 56 12.879 -34.447 13.110 1.00 32.02 H new ATOM 0 HG22 THR A 56 12.400 -32.958 13.959 1.00 32.02 H new ATOM 0 HG23 THR A 56 13.949 -33.026 13.085 1.00 32.02 H new ATOM 904 N TRP A 57 13.497 -30.688 15.548 1.00 72.20 N ATOM 905 CA TRP A 57 12.495 -29.626 15.720 1.00 25.32 C ATOM 906 C TRP A 57 11.552 -29.551 14.509 1.00 34.22 C ATOM 907 O TRP A 57 11.970 -29.763 13.370 1.00 25.05 O ATOM 908 CB TRP A 57 13.189 -28.273 15.935 1.00 32.44 C ATOM 909 CG TRP A 57 13.917 -28.174 17.246 1.00 62.13 C ATOM 910 CD1 TRP A 57 14.883 -29.017 17.718 1.00 62.33 C ATOM 911 CD2 TRP A 57 13.742 -27.166 18.249 1.00 51.23 C ATOM 912 NE1 TRP A 57 15.306 -28.604 18.956 1.00 14.45 N ATOM 913 CE2 TRP A 57 14.624 -27.470 19.302 1.00 21.41 C ATOM 914 CE3 TRP A 57 12.924 -26.039 18.361 1.00 72.35 C ATOM 915 CZ2 TRP A 57 14.712 -26.687 20.449 1.00 3.13 C ATOM 916 CZ3 TRP A 57 13.011 -25.262 19.501 1.00 72.33 C ATOM 917 CH2 TRP A 57 13.900 -25.590 20.533 1.00 74.11 C ATOM 0 H TRP A 57 14.326 -30.399 15.029 1.00 72.20 H new ATOM 0 HA TRP A 57 11.897 -29.865 16.600 1.00 25.32 H new ATOM 0 HB2 TRP A 57 13.895 -28.103 15.123 1.00 32.44 H new ATOM 0 HB3 TRP A 57 12.444 -27.479 15.881 1.00 32.44 H new ATOM 0 HD1 TRP A 57 15.259 -29.883 17.193 1.00 62.33 H new ATOM 0 HE1 TRP A 57 16.014 -29.067 19.526 1.00 14.45 H new ATOM 0 HE3 TRP A 57 12.235 -25.779 17.570 1.00 72.35 H new ATOM 0 HZ2 TRP A 57 15.398 -26.937 21.245 1.00 3.13 H new ATOM 0 HZ3 TRP A 57 12.384 -24.388 19.598 1.00 72.33 H new ATOM 0 HH2 TRP A 57 13.945 -24.964 21.412 1.00 74.11 H new ATOM 928 N TYR A 58 10.282 -29.240 14.757 1.00 75.20 N ATOM 929 CA TYR A 58 9.266 -29.214 13.696 1.00 12.10 C ATOM 930 C TYR A 58 8.765 -27.787 13.417 1.00 15.52 C ATOM 931 O TYR A 58 8.598 -26.979 14.336 1.00 60.24 O ATOM 932 CB TYR A 58 8.083 -30.113 14.083 1.00 30.04 C ATOM 933 CG TYR A 58 8.487 -31.534 14.431 1.00 13.20 C ATOM 934 CD1 TYR A 58 8.663 -32.494 13.442 1.00 30.21 C ATOM 935 CD2 TYR A 58 8.714 -31.907 15.751 1.00 44.24 C ATOM 936 CE1 TYR A 58 9.043 -33.786 13.761 1.00 32.24 C ATOM 937 CE2 TYR A 58 9.096 -33.192 16.075 1.00 43.45 C ATOM 938 CZ TYR A 58 9.260 -34.129 15.080 1.00 1.31 C ATOM 939 OH TYR A 58 9.647 -35.414 15.409 1.00 25.44 O ATOM 0 H TYR A 58 9.927 -29.002 15.683 1.00 75.20 H new ATOM 0 HA TYR A 58 9.732 -29.588 12.784 1.00 12.10 H new ATOM 0 HB2 TYR A 58 7.566 -29.672 14.936 1.00 30.04 H new ATOM 0 HB3 TYR A 58 7.372 -30.138 13.257 1.00 30.04 H new ATOM 0 HD1 TYR A 58 8.501 -32.228 12.408 1.00 30.21 H new ATOM 0 HD2 TYR A 58 8.589 -31.177 16.537 1.00 44.24 H new ATOM 0 HE1 TYR A 58 9.169 -34.522 12.981 1.00 32.24 H new ATOM 0 HE2 TYR A 58 9.266 -33.462 17.107 1.00 43.45 H new ATOM 0 HH TYR A 58 8.929 -35.854 15.910 1.00 25.44 H new ATOM 949 N ASN A 59 8.522 -27.487 12.142 1.00 72.00 N ATOM 950 CA ASN A 59 7.998 -26.182 11.735 1.00 13.12 C ATOM 951 C ASN A 59 6.471 -26.130 11.912 1.00 74.54 C ATOM 952 O ASN A 59 5.721 -26.607 11.054 1.00 20.35 O ATOM 953 CB ASN A 59 8.360 -25.894 10.272 1.00 24.42 C ATOM 954 CG ASN A 59 9.859 -25.922 10.016 1.00 31.31 C ATOM 955 OD1 ASN A 59 10.605 -26.636 10.672 1.00 55.33 O ATOM 956 ND2 ASN A 59 10.314 -25.152 9.047 1.00 34.54 N ATOM 0 H ASN A 59 8.680 -28.133 11.369 1.00 72.00 H new ATOM 0 HA ASN A 59 8.451 -25.422 12.371 1.00 13.12 H new ATOM 0 HB2 ASN A 59 7.873 -26.629 9.631 1.00 24.42 H new ATOM 0 HB3 ASN A 59 7.967 -24.917 9.991 1.00 24.42 H new ATOM 0 HD21 ASN A 59 11.310 -25.142 8.829 1.00 34.54 H new ATOM 0 HD22 ASN A 59 9.670 -24.566 8.516 1.00 34.54 H new ATOM 963 N TYR A 60 6.017 -25.556 13.028 1.00 41.41 N ATOM 964 CA TYR A 60 4.580 -25.457 13.327 1.00 73.31 C ATOM 965 C TYR A 60 3.759 -24.880 12.145 1.00 31.03 C ATOM 966 O TYR A 60 2.755 -25.477 11.749 1.00 14.02 O ATOM 967 CB TYR A 60 4.359 -24.632 14.605 1.00 51.23 C ATOM 968 CG TYR A 60 2.900 -24.359 14.926 1.00 11.34 C ATOM 969 CD1 TYR A 60 2.005 -25.403 15.134 1.00 12.03 C ATOM 970 CD2 TYR A 60 2.422 -23.057 15.031 1.00 42.32 C ATOM 971 CE1 TYR A 60 0.679 -25.156 15.431 1.00 44.41 C ATOM 972 CE2 TYR A 60 1.098 -22.804 15.327 1.00 25.52 C ATOM 973 CZ TYR A 60 0.231 -23.857 15.528 1.00 12.54 C ATOM 974 OH TYR A 60 -1.088 -23.611 15.830 1.00 34.23 O ATOM 0 H TYR A 60 6.622 -25.151 13.743 1.00 41.41 H new ATOM 0 HA TYR A 60 4.214 -26.471 13.489 1.00 73.31 H new ATOM 0 HB2 TYR A 60 4.812 -25.157 15.446 1.00 51.23 H new ATOM 0 HB3 TYR A 60 4.881 -23.681 14.505 1.00 51.23 H new ATOM 0 HD1 TYR A 60 2.352 -26.423 15.062 1.00 12.03 H new ATOM 0 HD2 TYR A 60 3.099 -22.229 14.878 1.00 42.32 H new ATOM 0 HE1 TYR A 60 -0.004 -25.978 15.587 1.00 44.41 H new ATOM 0 HE2 TYR A 60 0.743 -21.787 15.401 1.00 25.52 H new ATOM 0 HH TYR A 60 -1.241 -22.644 15.862 1.00 34.23 H new ATOM 984 N PRO A 61 4.160 -23.718 11.560 1.00 11.30 N ATOM 985 CA PRO A 61 3.472 -23.150 10.379 1.00 12.14 C ATOM 986 C PRO A 61 3.303 -24.168 9.235 1.00 1.32 C ATOM 987 O PRO A 61 2.219 -24.303 8.664 1.00 40.13 O ATOM 988 CB PRO A 61 4.401 -22.004 9.950 1.00 13.34 C ATOM 989 CG PRO A 61 5.081 -21.592 11.210 1.00 72.11 C ATOM 990 CD PRO A 61 5.285 -22.860 11.996 1.00 11.12 C ATOM 0 HA PRO A 61 2.456 -22.834 10.616 1.00 12.14 H new ATOM 0 HB2 PRO A 61 5.119 -22.334 9.199 1.00 13.34 H new ATOM 0 HB3 PRO A 61 3.839 -21.179 9.513 1.00 13.34 H new ATOM 0 HG2 PRO A 61 6.033 -21.104 11.000 1.00 72.11 H new ATOM 0 HG3 PRO A 61 4.474 -20.879 11.768 1.00 72.11 H new ATOM 0 HD2 PRO A 61 6.249 -23.319 11.776 1.00 11.12 H new ATOM 0 HD3 PRO A 61 5.257 -22.676 13.070 1.00 11.12 H new ATOM 998 N GLU A 62 4.377 -24.895 8.924 1.00 72.13 N ATOM 999 CA GLU A 62 4.360 -25.904 7.856 1.00 45.11 C ATOM 1000 C GLU A 62 3.401 -27.063 8.171 1.00 41.11 C ATOM 1001 O GLU A 62 2.690 -27.554 7.291 1.00 22.21 O ATOM 1002 CB GLU A 62 5.775 -26.452 7.633 1.00 54.51 C ATOM 1003 CG GLU A 62 6.713 -25.484 6.924 1.00 41.53 C ATOM 1004 CD GLU A 62 6.335 -25.273 5.467 1.00 13.44 C ATOM 1005 OE1 GLU A 62 6.340 -26.265 4.707 1.00 5.11 O ATOM 1006 OE2 GLU A 62 6.031 -24.125 5.079 1.00 14.44 O ATOM 0 H GLU A 62 5.276 -24.805 9.398 1.00 72.13 H new ATOM 0 HA GLU A 62 4.003 -25.415 6.950 1.00 45.11 H new ATOM 0 HB2 GLU A 62 6.206 -26.718 8.598 1.00 54.51 H new ATOM 0 HB3 GLU A 62 5.709 -27.370 7.050 1.00 54.51 H new ATOM 0 HG2 GLU A 62 6.701 -24.525 7.442 1.00 41.53 H new ATOM 0 HG3 GLU A 62 7.733 -25.864 6.981 1.00 41.53 H new ATOM 1013 N ILE A 63 3.396 -27.508 9.424 1.00 54.43 N ATOM 1014 CA ILE A 63 2.514 -28.596 9.851 1.00 41.52 C ATOM 1015 C ILE A 63 1.040 -28.160 9.824 1.00 44.41 C ATOM 1016 O ILE A 63 0.185 -28.881 9.313 1.00 3.44 O ATOM 1017 CB ILE A 63 2.906 -29.112 11.260 1.00 24.24 C ATOM 1018 CG1 ILE A 63 4.332 -29.696 11.210 1.00 55.13 C ATOM 1019 CG2 ILE A 63 1.904 -30.157 11.760 1.00 33.43 C ATOM 1020 CD1 ILE A 63 4.819 -30.259 12.525 1.00 63.14 C ATOM 0 H ILE A 63 3.991 -27.134 10.163 1.00 54.43 H new ATOM 0 HA ILE A 63 2.636 -29.416 9.143 1.00 41.52 H new ATOM 0 HB ILE A 63 2.885 -28.279 11.963 1.00 24.24 H new ATOM 0 HG12 ILE A 63 4.364 -30.483 10.457 1.00 55.13 H new ATOM 0 HG13 ILE A 63 5.020 -28.916 10.885 1.00 55.13 H new ATOM 0 HG21 ILE A 63 2.202 -30.502 12.750 1.00 33.43 H new ATOM 0 HG22 ILE A 63 0.911 -29.712 11.815 1.00 33.43 H new ATOM 0 HG23 ILE A 63 1.885 -31.002 11.071 1.00 33.43 H new ATOM 0 HD11 ILE A 63 5.829 -30.649 12.402 1.00 63.14 H new ATOM 0 HD12 ILE A 63 4.823 -29.472 13.279 1.00 63.14 H new ATOM 0 HD13 ILE A 63 4.156 -31.063 12.844 1.00 63.14 H new ATOM 1032 N ASN A 64 0.753 -26.967 10.348 1.00 20.15 N ATOM 1033 CA ASN A 64 -0.601 -26.395 10.280 1.00 60.04 C ATOM 1034 C ASN A 64 -1.043 -26.220 8.811 1.00 62.53 C ATOM 1035 O ASN A 64 -2.217 -26.387 8.471 1.00 70.22 O ATOM 1036 CB ASN A 64 -0.640 -25.039 11.006 1.00 1.42 C ATOM 1037 CG ASN A 64 -2.039 -24.441 11.087 1.00 45.35 C ATOM 1038 OD1 ASN A 64 -2.217 -23.229 11.007 1.00 75.35 O ATOM 1039 ND2 ASN A 64 -3.042 -25.275 11.280 1.00 55.11 N ATOM 0 H ASN A 64 1.435 -26.376 10.824 1.00 20.15 H new ATOM 0 HA ASN A 64 -1.291 -27.082 10.771 1.00 60.04 H new ATOM 0 HB2 ASN A 64 -0.246 -25.163 12.015 1.00 1.42 H new ATOM 0 HB3 ASN A 64 0.018 -24.339 10.491 1.00 1.42 H new ATOM 0 HD21 ASN A 64 -3.993 -24.917 11.367 1.00 55.11 H new ATOM 0 HD22 ASN A 64 -2.867 -26.278 11.343 1.00 55.11 H new ATOM 1046 N LYS A 65 -0.081 -25.880 7.952 1.00 63.12 N ATOM 1047 CA LYS A 65 -0.304 -25.760 6.505 1.00 12.31 C ATOM 1048 C LYS A 65 -0.674 -27.121 5.881 1.00 25.12 C ATOM 1049 O LYS A 65 -1.453 -27.192 4.926 1.00 52.44 O ATOM 1050 CB LYS A 65 0.970 -25.199 5.854 1.00 53.35 C ATOM 1051 CG LYS A 65 0.891 -24.981 4.346 1.00 73.14 C ATOM 1052 CD LYS A 65 2.222 -24.460 3.802 1.00 72.34 C ATOM 1053 CE LYS A 65 2.166 -24.176 2.308 1.00 62.14 C ATOM 1054 NZ LYS A 65 3.471 -23.686 1.787 1.00 40.13 N ATOM 0 H LYS A 65 0.877 -25.679 8.238 1.00 63.12 H new ATOM 0 HA LYS A 65 -1.140 -25.084 6.328 1.00 12.31 H new ATOM 0 HB2 LYS A 65 1.213 -24.249 6.329 1.00 53.35 H new ATOM 0 HB3 LYS A 65 1.795 -25.880 6.063 1.00 53.35 H new ATOM 0 HG2 LYS A 65 0.633 -25.917 3.852 1.00 73.14 H new ATOM 0 HG3 LYS A 65 0.097 -24.270 4.118 1.00 73.14 H new ATOM 0 HD2 LYS A 65 2.496 -23.548 4.332 1.00 72.34 H new ATOM 0 HD3 LYS A 65 3.004 -25.192 4.001 1.00 72.34 H new ATOM 0 HE2 LYS A 65 1.881 -25.084 1.776 1.00 62.14 H new ATOM 0 HE3 LYS A 65 1.393 -23.433 2.108 1.00 62.14 H new ATOM 0 HZ1 LYS A 65 3.391 -23.504 0.766 1.00 40.13 H new ATOM 0 HZ2 LYS A 65 3.732 -22.806 2.276 1.00 40.13 H new ATOM 0 HZ3 LYS A 65 4.204 -24.405 1.954 1.00 40.13 H new ATOM 1068 N PHE A 66 -0.106 -28.196 6.427 1.00 31.34 N ATOM 1069 CA PHE A 66 -0.390 -29.558 5.953 1.00 73.43 C ATOM 1070 C PHE A 66 -1.718 -30.098 6.513 1.00 70.44 C ATOM 1071 O PHE A 66 -2.509 -30.693 5.779 1.00 10.22 O ATOM 1072 CB PHE A 66 0.760 -30.506 6.339 1.00 22.20 C ATOM 1073 CG PHE A 66 0.470 -31.963 6.058 1.00 22.40 C ATOM 1074 CD1 PHE A 66 0.524 -32.459 4.764 1.00 2.31 C ATOM 1075 CD2 PHE A 66 0.131 -32.831 7.089 1.00 63.42 C ATOM 1076 CE1 PHE A 66 0.248 -33.788 4.504 1.00 3.20 C ATOM 1077 CE2 PHE A 66 -0.148 -34.160 6.834 1.00 12.44 C ATOM 1078 CZ PHE A 66 -0.088 -34.639 5.540 1.00 62.24 C ATOM 0 H PHE A 66 0.557 -28.153 7.201 1.00 31.34 H new ATOM 0 HA PHE A 66 -0.480 -29.512 4.868 1.00 73.43 H new ATOM 0 HB2 PHE A 66 1.658 -30.213 5.796 1.00 22.20 H new ATOM 0 HB3 PHE A 66 0.976 -30.386 7.401 1.00 22.20 H new ATOM 0 HD1 PHE A 66 0.785 -31.799 3.950 1.00 2.31 H new ATOM 0 HD2 PHE A 66 0.085 -32.462 8.103 1.00 63.42 H new ATOM 0 HE1 PHE A 66 0.295 -34.161 3.492 1.00 3.20 H new ATOM 0 HE2 PHE A 66 -0.412 -34.823 7.645 1.00 12.44 H new ATOM 0 HZ PHE A 66 -0.303 -35.678 5.338 1.00 62.24 H new ATOM 1088 N ILE A 67 -1.953 -29.886 7.813 1.00 3.34 N ATOM 1089 CA ILE A 67 -3.146 -30.409 8.499 1.00 52.54 C ATOM 1090 C ILE A 67 -4.437 -30.135 7.711 1.00 44.45 C ATOM 1091 O ILE A 67 -5.313 -30.995 7.631 1.00 25.25 O ATOM 1092 CB ILE A 67 -3.271 -29.821 9.932 1.00 74.30 C ATOM 1093 CG1 ILE A 67 -2.094 -30.293 10.807 1.00 34.15 C ATOM 1094 CG2 ILE A 67 -4.605 -30.210 10.573 1.00 3.24 C ATOM 1095 CD1 ILE A 67 -2.094 -29.718 12.210 1.00 64.24 C ATOM 0 H ILE A 67 -1.329 -29.352 8.417 1.00 3.34 H new ATOM 0 HA ILE A 67 -3.016 -31.489 8.566 1.00 52.54 H new ATOM 0 HB ILE A 67 -3.239 -28.734 9.857 1.00 74.30 H new ATOM 0 HG12 ILE A 67 -2.117 -31.381 10.872 1.00 34.15 H new ATOM 0 HG13 ILE A 67 -1.159 -30.023 10.316 1.00 34.15 H new ATOM 0 HG21 ILE A 67 -4.665 -29.785 11.575 1.00 3.24 H new ATOM 0 HG22 ILE A 67 -5.426 -29.827 9.967 1.00 3.24 H new ATOM 0 HG23 ILE A 67 -4.676 -31.296 10.635 1.00 3.24 H new ATOM 0 HD11 ILE A 67 -1.234 -30.100 12.760 1.00 64.24 H new ATOM 0 HD12 ILE A 67 -2.038 -28.631 12.158 1.00 64.24 H new ATOM 0 HD13 ILE A 67 -3.011 -30.010 12.723 1.00 64.24 H new ATOM 1107 N ARG A 68 -4.541 -28.945 7.118 1.00 43.33 N ATOM 1108 CA ARG A 68 -5.704 -28.593 6.290 1.00 50.14 C ATOM 1109 C ARG A 68 -5.983 -29.661 5.214 1.00 34.44 C ATOM 1110 O ARG A 68 -7.119 -30.118 5.051 1.00 53.53 O ATOM 1111 CB ARG A 68 -5.493 -27.236 5.603 1.00 73.11 C ATOM 1112 CG ARG A 68 -6.591 -26.913 4.593 1.00 52.45 C ATOM 1113 CD ARG A 68 -6.276 -25.688 3.744 1.00 21.42 C ATOM 1114 NE ARG A 68 -7.167 -25.617 2.590 1.00 31.34 N ATOM 1115 CZ ARG A 68 -7.093 -24.729 1.643 1.00 51.32 C ATOM 1116 NH1 ARG A 68 -6.238 -23.756 1.698 1.00 65.13 N ATOM 1117 NH2 ARG A 68 -7.895 -24.815 0.636 1.00 54.11 N ATOM 0 H ARG A 68 -3.839 -28.209 7.193 1.00 43.33 H new ATOM 0 HA ARG A 68 -6.563 -28.537 6.959 1.00 50.14 H new ATOM 0 HB2 ARG A 68 -5.458 -26.452 6.359 1.00 73.11 H new ATOM 0 HB3 ARG A 68 -4.527 -27.235 5.097 1.00 73.11 H new ATOM 0 HG2 ARG A 68 -6.741 -27.773 3.940 1.00 52.45 H new ATOM 0 HG3 ARG A 68 -7.529 -26.749 5.124 1.00 52.45 H new ATOM 0 HD2 ARG A 68 -6.380 -24.785 4.346 1.00 21.42 H new ATOM 0 HD3 ARG A 68 -5.240 -25.729 3.408 1.00 21.42 H new ATOM 0 HE ARG A 68 -7.905 -26.318 2.521 1.00 31.34 H new ATOM 0 HH11 ARG A 68 -5.607 -23.676 2.495 1.00 65.13 H new ATOM 0 HH12 ARG A 68 -6.197 -23.070 0.944 1.00 65.13 H new ATOM 0 HH21 ARG A 68 -8.576 -25.573 0.590 1.00 54.11 H new ATOM 0 HH22 ARG A 68 -7.848 -24.125 -0.114 1.00 54.11 H new ATOM 1131 N ASP A 69 -4.935 -30.058 4.491 1.00 4.45 N ATOM 1132 CA ASP A 69 -5.066 -31.024 3.395 1.00 41.54 C ATOM 1133 C ASP A 69 -5.623 -32.365 3.899 1.00 12.40 C ATOM 1134 O ASP A 69 -6.378 -33.035 3.202 1.00 13.03 O ATOM 1135 CB ASP A 69 -3.709 -31.223 2.707 1.00 45.13 C ATOM 1136 CG ASP A 69 -3.785 -32.167 1.518 1.00 31.33 C ATOM 1137 OD1 ASP A 69 -4.410 -31.799 0.495 1.00 73.02 O ATOM 1138 OD2 ASP A 69 -3.221 -33.274 1.591 1.00 3.12 O ATOM 0 H ASP A 69 -3.983 -29.726 4.644 1.00 4.45 H new ATOM 0 HA ASP A 69 -5.774 -30.626 2.669 1.00 41.54 H new ATOM 0 HB2 ASP A 69 -3.330 -30.257 2.374 1.00 45.13 H new ATOM 0 HB3 ASP A 69 -2.994 -31.614 3.431 1.00 45.13 H new ATOM 1143 N SER A 70 -5.275 -32.730 5.132 1.00 74.32 N ATOM 1144 CA SER A 70 -5.763 -33.978 5.748 1.00 34.24 C ATOM 1145 C SER A 70 -7.302 -34.059 5.744 1.00 41.13 C ATOM 1146 O SER A 70 -7.876 -35.149 5.745 1.00 14.42 O ATOM 1147 CB SER A 70 -5.248 -34.106 7.191 1.00 12.33 C ATOM 1148 OG SER A 70 -5.757 -35.271 7.828 1.00 52.22 O ATOM 0 H SER A 70 -4.656 -32.183 5.731 1.00 74.32 H new ATOM 0 HA SER A 70 -5.377 -34.802 5.147 1.00 34.24 H new ATOM 0 HB2 SER A 70 -4.159 -34.139 7.187 1.00 12.33 H new ATOM 0 HB3 SER A 70 -5.538 -33.223 7.761 1.00 12.33 H new ATOM 0 HG SER A 70 -5.409 -35.322 8.743 1.00 52.22 H new ATOM 1154 N LEU A 71 -7.960 -32.900 5.749 1.00 24.13 N ATOM 1155 CA LEU A 71 -9.428 -32.832 5.751 1.00 33.41 C ATOM 1156 C LEU A 71 -10.017 -32.894 4.328 1.00 54.12 C ATOM 1157 O LEU A 71 -11.029 -33.558 4.092 1.00 15.03 O ATOM 1158 CB LEU A 71 -9.906 -31.542 6.452 1.00 64.04 C ATOM 1159 CG LEU A 71 -9.707 -31.485 7.980 1.00 53.24 C ATOM 1160 CD1 LEU A 71 -10.394 -32.663 8.660 1.00 25.44 C ATOM 1161 CD2 LEU A 71 -8.226 -31.437 8.349 1.00 73.40 C ATOM 0 H LEU A 71 -7.500 -31.989 5.752 1.00 24.13 H new ATOM 0 HA LEU A 71 -9.786 -33.704 6.299 1.00 33.41 H new ATOM 0 HB2 LEU A 71 -9.383 -30.696 6.006 1.00 64.04 H new ATOM 0 HB3 LEU A 71 -10.967 -31.409 6.239 1.00 64.04 H new ATOM 0 HG LEU A 71 -10.168 -30.565 8.338 1.00 53.24 H new ATOM 0 HD11 LEU A 71 -10.240 -32.602 9.737 1.00 25.44 H new ATOM 0 HD12 LEU A 71 -11.462 -32.636 8.444 1.00 25.44 H new ATOM 0 HD13 LEU A 71 -9.972 -33.596 8.286 1.00 25.44 H new ATOM 0 HD21 LEU A 71 -8.122 -31.397 9.433 1.00 73.40 H new ATOM 0 HD22 LEU A 71 -7.727 -32.329 7.969 1.00 73.40 H new ATOM 0 HD23 LEU A 71 -7.770 -30.551 7.908 1.00 73.40 H new ATOM 1173 N GLU A 72 -9.378 -32.207 3.380 1.00 44.15 N ATOM 1174 CA GLU A 72 -9.940 -32.047 2.026 1.00 10.52 C ATOM 1175 C GLU A 72 -9.145 -32.799 0.942 1.00 41.54 C ATOM 1176 O GLU A 72 -9.448 -32.674 -0.248 1.00 22.30 O ATOM 1177 CB GLU A 72 -10.015 -30.552 1.681 1.00 63.54 C ATOM 1178 CG GLU A 72 -8.667 -29.833 1.747 1.00 24.42 C ATOM 1179 CD GLU A 72 -8.794 -28.327 1.574 1.00 43.23 C ATOM 1180 OE1 GLU A 72 -9.213 -27.651 2.536 1.00 53.52 O ATOM 1181 OE2 GLU A 72 -8.479 -27.809 0.479 1.00 32.03 O ATOM 0 H GLU A 72 -8.475 -31.752 3.517 1.00 44.15 H new ATOM 0 HA GLU A 72 -10.936 -32.489 2.038 1.00 10.52 H new ATOM 0 HB2 GLU A 72 -10.426 -30.441 0.678 1.00 63.54 H new ATOM 0 HB3 GLU A 72 -10.709 -30.065 2.366 1.00 63.54 H new ATOM 0 HG2 GLU A 72 -8.193 -30.046 2.705 1.00 24.42 H new ATOM 0 HG3 GLU A 72 -8.011 -30.229 0.972 1.00 24.42 H new ATOM 1188 N HIS A 73 -8.152 -33.587 1.349 1.00 73.10 N ATOM 1189 CA HIS A 73 -7.297 -34.317 0.399 1.00 54.22 C ATOM 1190 C HIS A 73 -8.125 -35.163 -0.581 1.00 51.12 C ATOM 1191 O HIS A 73 -8.842 -36.077 -0.172 1.00 5.15 O ATOM 1192 CB HIS A 73 -6.309 -35.219 1.151 1.00 5.53 C ATOM 1193 CG HIS A 73 -5.247 -35.817 0.272 1.00 30.30 C ATOM 1194 ND1 HIS A 73 -4.169 -35.097 -0.193 1.00 31.31 N ATOM 1195 CD2 HIS A 73 -5.099 -37.070 -0.230 1.00 11.02 C ATOM 1196 CE1 HIS A 73 -3.409 -35.870 -0.941 1.00 33.01 C ATOM 1197 NE2 HIS A 73 -3.945 -37.075 -0.981 1.00 24.15 N ATOM 0 H HIS A 73 -7.915 -33.740 2.329 1.00 73.10 H new ATOM 0 HA HIS A 73 -6.746 -33.574 -0.177 1.00 54.22 H new ATOM 0 HB2 HIS A 73 -5.831 -34.640 1.941 1.00 5.53 H new ATOM 0 HB3 HIS A 73 -6.862 -36.023 1.636 1.00 5.53 H new ATOM 0 HD1 HIS A 73 -3.987 -34.114 0.011 1.00 31.31 H new ATOM 0 HD2 HIS A 73 -5.763 -37.907 -0.070 1.00 11.02 H new ATOM 0 HE1 HIS A 73 -2.499 -35.568 -1.438 1.00 33.01 H new ATOM 1206 N HIS A 74 -8.006 -34.862 -1.873 1.00 44.24 N ATOM 1207 CA HIS A 74 -8.777 -35.565 -2.909 1.00 42.11 C ATOM 1208 C HIS A 74 -8.424 -37.062 -2.981 1.00 11.44 C ATOM 1209 O HIS A 74 -7.439 -37.515 -2.394 1.00 33.33 O ATOM 1210 CB HIS A 74 -8.555 -34.898 -4.272 1.00 40.12 C ATOM 1211 CG HIS A 74 -9.043 -33.479 -4.320 1.00 13.22 C ATOM 1212 ND1 HIS A 74 -8.206 -32.386 -4.257 1.00 1.03 N ATOM 1213 CD2 HIS A 74 -10.299 -32.975 -4.419 1.00 21.34 C ATOM 1214 CE1 HIS A 74 -8.920 -31.280 -4.311 1.00 24.50 C ATOM 1215 NE2 HIS A 74 -10.189 -31.608 -4.412 1.00 15.12 N ATOM 0 H HIS A 74 -7.385 -34.137 -2.232 1.00 44.24 H new ATOM 0 HA HIS A 74 -9.831 -35.496 -2.638 1.00 42.11 H new ATOM 0 HB2 HIS A 74 -7.492 -34.918 -4.511 1.00 40.12 H new ATOM 0 HB3 HIS A 74 -9.066 -35.478 -5.041 1.00 40.12 H new ATOM 0 HD2 HIS A 74 -11.214 -33.544 -4.490 1.00 21.34 H new ATOM 0 HE1 HIS A 74 -8.529 -30.274 -4.278 1.00 24.50 H new ATOM 0 HE2 HIS A 74 -10.967 -30.951 -4.475 1.00 15.12 H new ATOM 1224 N HIS A 75 -9.240 -37.827 -3.706 1.00 74.34 N ATOM 1225 CA HIS A 75 -9.064 -39.279 -3.800 1.00 72.54 C ATOM 1226 C HIS A 75 -7.769 -39.659 -4.545 1.00 21.42 C ATOM 1227 O HIS A 75 -7.644 -39.464 -5.752 1.00 71.24 O ATOM 1228 CB HIS A 75 -10.294 -39.929 -4.464 1.00 10.02 C ATOM 1229 CG HIS A 75 -10.592 -39.442 -5.855 1.00 43.00 C ATOM 1230 ND1 HIS A 75 -11.443 -38.390 -6.127 1.00 14.21 N ATOM 1231 CD2 HIS A 75 -10.153 -39.881 -7.061 1.00 14.53 C ATOM 1232 CE1 HIS A 75 -11.512 -38.207 -7.432 1.00 64.13 C ATOM 1233 NE2 HIS A 75 -10.740 -39.096 -8.016 1.00 12.11 N ATOM 0 H HIS A 75 -10.032 -37.466 -4.238 1.00 74.34 H new ATOM 0 HA HIS A 75 -8.971 -39.664 -2.785 1.00 72.54 H new ATOM 0 HB2 HIS A 75 -10.144 -41.008 -4.497 1.00 10.02 H new ATOM 0 HB3 HIS A 75 -11.166 -39.748 -3.836 1.00 10.02 H new ATOM 0 HD2 HIS A 75 -9.468 -40.698 -7.235 1.00 14.53 H new ATOM 0 HE1 HIS A 75 -12.102 -37.455 -7.934 1.00 64.13 H new ATOM 0 HE2 HIS A 75 -10.600 -39.187 -9.022 1.00 12.11 H new ATOM 1242 N HIS A 76 -6.798 -40.188 -3.805 1.00 22.01 N ATOM 1243 CA HIS A 76 -5.535 -40.655 -4.386 1.00 53.02 C ATOM 1244 C HIS A 76 -5.587 -42.165 -4.665 1.00 72.33 C ATOM 1245 O HIS A 76 -5.430 -42.978 -3.756 1.00 40.31 O ATOM 1246 CB HIS A 76 -4.370 -40.322 -3.440 1.00 44.33 C ATOM 1247 CG HIS A 76 -3.053 -40.893 -3.876 1.00 64.45 C ATOM 1248 ND1 HIS A 76 -2.553 -42.074 -3.382 1.00 52.12 N ATOM 1249 CD2 HIS A 76 -2.131 -40.441 -4.762 1.00 22.22 C ATOM 1250 CE1 HIS A 76 -1.388 -42.327 -3.936 1.00 62.12 C ATOM 1251 NE2 HIS A 76 -1.104 -41.354 -4.778 1.00 74.33 N ATOM 0 H HIS A 76 -6.860 -40.306 -2.794 1.00 22.01 H new ATOM 0 HA HIS A 76 -5.378 -40.143 -5.335 1.00 53.02 H new ATOM 0 HB2 HIS A 76 -4.277 -39.239 -3.360 1.00 44.33 H new ATOM 0 HB3 HIS A 76 -4.605 -40.696 -2.444 1.00 44.33 H new ATOM 0 HD2 HIS A 76 -2.192 -39.534 -5.345 1.00 22.22 H new ATOM 0 HE1 HIS A 76 -0.768 -43.188 -3.735 1.00 62.12 H new ATOM 0 HE2 HIS A 76 -0.261 -41.289 -5.348 1.00 74.33 H new ATOM 1260 N HIS A 77 -5.832 -42.537 -5.921 1.00 2.25 N ATOM 1261 CA HIS A 77 -5.936 -43.953 -6.301 1.00 24.42 C ATOM 1262 C HIS A 77 -5.418 -44.202 -7.723 1.00 21.25 C ATOM 1263 O HIS A 77 -5.944 -43.651 -8.692 1.00 13.14 O ATOM 1264 CB HIS A 77 -7.391 -44.442 -6.202 1.00 11.44 C ATOM 1265 CG HIS A 77 -7.944 -44.433 -4.809 1.00 4.30 C ATOM 1266 ND1 HIS A 77 -7.523 -45.303 -3.830 1.00 72.40 N ATOM 1267 CD2 HIS A 77 -8.881 -43.648 -4.228 1.00 22.24 C ATOM 1268 CE1 HIS A 77 -8.169 -45.055 -2.713 1.00 32.23 C ATOM 1269 NE2 HIS A 77 -9.003 -44.057 -2.922 1.00 12.23 N ATOM 0 H HIS A 77 -5.962 -41.883 -6.693 1.00 2.25 H new ATOM 0 HA HIS A 77 -5.314 -44.512 -5.602 1.00 24.42 H new ATOM 0 HB2 HIS A 77 -8.018 -43.814 -6.835 1.00 11.44 H new ATOM 0 HB3 HIS A 77 -7.451 -45.455 -6.599 1.00 11.44 H new ATOM 0 HD2 HIS A 77 -9.431 -42.849 -4.703 1.00 22.24 H new ATOM 0 HE1 HIS A 77 -8.038 -45.582 -1.779 1.00 32.23 H new ATOM 0 HE2 HIS A 77 -9.634 -43.655 -2.229 1.00 12.23 H new ATOM 1278 N HIS A 78 -4.392 -45.041 -7.842 1.00 33.54 N ATOM 1279 CA HIS A 78 -3.860 -45.448 -9.152 1.00 1.03 C ATOM 1280 C HIS A 78 -4.206 -46.924 -9.444 1.00 42.20 C ATOM 1281 O HIS A 78 -3.465 -47.819 -8.973 1.00 38.35 O ATOM 1282 CB HIS A 78 -2.338 -45.232 -9.188 1.00 14.04 C ATOM 1283 CG HIS A 78 -1.729 -45.434 -10.543 1.00 71.44 C ATOM 1284 ND1 HIS A 78 -1.550 -46.676 -11.113 1.00 44.03 N ATOM 1285 CD2 HIS A 78 -1.250 -44.541 -11.441 1.00 31.03 C ATOM 1286 CE1 HIS A 78 -0.988 -46.540 -12.294 1.00 32.21 C ATOM 1287 NE2 HIS A 78 -0.796 -45.259 -12.519 1.00 43.41 N ATOM 1288 OXT HIS A 78 -5.224 -47.180 -10.128 1.00 38.35 O ATOM 0 H HIS A 78 -3.907 -45.457 -7.047 1.00 33.54 H new ATOM 0 HA HIS A 78 -4.321 -44.833 -9.925 1.00 1.03 H new ATOM 0 HB2 HIS A 78 -2.116 -44.221 -8.848 1.00 14.04 H new ATOM 0 HB3 HIS A 78 -1.867 -45.916 -8.483 1.00 14.04 H new ATOM 0 HD1 HIS A 78 -1.813 -47.564 -10.685 1.00 44.03 H new ATOM 0 HD2 HIS A 78 -1.229 -43.467 -11.330 1.00 31.03 H new ATOM 0 HE1 HIS A 78 -0.728 -47.345 -12.966 1.00 32.21 H new TER 1297 HIS A 78