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 47 SER OG : rot 49:sc= 1.22 USER MOD Set 1.2: A 55 THR OG1 : rot -10:sc= 1.18 USER MOD Set 2.1: A 26 GLN : amide:sc= 0.784 X(o=1.4,f=1.1) USER MOD Set 2.2: A 30 TYR OH : rot 30:sc= 0.663 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.169 (180deg=-0.73) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.101 (180deg=-0.277) USER MOD Single : A 3 GLN : amide:sc= -0.0345 X(o=-0.034,f=-0.046) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 11 MET CE :methyl 155:sc= -0.526 (180deg=-1.9) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -109:sc= -0.674 (180deg=-3.2!) USER MOD Single : A 20 THR OG1 : rot -68:sc= 1.15 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.601 K(o=-0.6,f=0) USER MOD Single : A 40 HIS : no HD1:sc= -2.26! C(o=-2.3!,f=-5.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 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 -150:sc= 0.0185 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -124:sc= 0.292 USER MOD Single : A 59 ASN : amide:sc= 0.547 K(o=0.55,f=-1.8!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 65 LYS NZ :NH3+ -178:sc= 0.737 (180deg=0.707) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc=-0.00117 X(o=-0.0012,f=-0.014) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HE2:sc= 0.647 K(o=0.65,f=-2.1!) USER MOD Single : A 76 HIS : no HD1:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 78 HIS : no HE2:sc= -0.297 K(o=-0.3,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.995 -2.718 0.829 1.00 3.31 N ATOM 2 CA MET A 1 11.656 -3.854 -0.072 1.00 11.22 C ATOM 3 C MET A 1 11.780 -5.207 0.653 1.00 10.41 C ATOM 4 O MET A 1 11.248 -6.215 0.189 1.00 21.43 O ATOM 5 CB MET A 1 12.560 -3.835 -1.316 1.00 34.11 C ATOM 6 CG MET A 1 12.425 -2.567 -2.153 1.00 74.32 C ATOM 7 SD MET A 1 13.442 -2.597 -3.645 1.00 23.23 S ATOM 8 CE MET A 1 12.744 -4.005 -4.509 1.00 34.23 C ATOM 0 H1 MET A 1 11.710 -1.823 0.382 1.00 3.31 H new ATOM 0 H2 MET A 1 11.492 -2.830 1.733 1.00 3.31 H new ATOM 0 H3 MET A 1 13.020 -2.707 1.003 1.00 3.31 H new ATOM 0 HA MET A 1 10.618 -3.734 -0.381 1.00 11.22 H new ATOM 0 HB2 MET A 1 13.598 -3.943 -1.002 1.00 34.11 H new ATOM 0 HB3 MET A 1 12.324 -4.698 -1.939 1.00 34.11 H new ATOM 0 HG2 MET A 1 11.380 -2.433 -2.434 1.00 74.32 H new ATOM 0 HG3 MET A 1 12.705 -1.706 -1.546 1.00 74.32 H new ATOM 0 HE1 MET A 1 13.001 -3.946 -5.567 1.00 34.23 H new ATOM 0 HE2 MET A 1 13.147 -4.926 -4.088 1.00 34.23 H new ATOM 0 HE3 MET A 1 11.660 -3.999 -4.398 1.00 34.23 H new ATOM 20 N ALA A 2 12.485 -5.227 1.786 1.00 33.31 N ATOM 21 CA ALA A 2 12.636 -6.453 2.581 1.00 10.43 C ATOM 22 C ALA A 2 11.324 -6.829 3.292 1.00 35.15 C ATOM 23 O ALA A 2 10.755 -6.028 4.040 1.00 2.42 O ATOM 24 CB ALA A 2 13.762 -6.284 3.596 1.00 22.53 C ATOM 0 H ALA A 2 12.960 -4.412 2.175 1.00 33.31 H new ATOM 0 HA ALA A 2 12.888 -7.267 1.901 1.00 10.43 H new ATOM 0 HB1 ALA A 2 13.866 -7.198 4.180 1.00 22.53 H new ATOM 0 HB2 ALA A 2 14.696 -6.080 3.073 1.00 22.53 H new ATOM 0 HB3 ALA A 2 13.530 -5.453 4.262 1.00 22.53 H new ATOM 30 N GLN A 3 10.853 -8.051 3.065 1.00 22.31 N ATOM 31 CA GLN A 3 9.583 -8.509 3.639 1.00 5.11 C ATOM 32 C GLN A 3 9.776 -9.130 5.030 1.00 0.40 C ATOM 33 O GLN A 3 10.161 -10.296 5.155 1.00 32.34 O ATOM 34 CB GLN A 3 8.915 -9.528 2.707 1.00 13.21 C ATOM 35 CG GLN A 3 8.570 -8.975 1.329 1.00 1.33 C ATOM 36 CD GLN A 3 7.533 -7.868 1.377 1.00 51.51 C ATOM 37 OE1 GLN A 3 7.860 -6.689 1.482 1.00 20.14 O ATOM 38 NE2 GLN A 3 6.270 -8.237 1.301 1.00 73.21 N ATOM 0 H GLN A 3 11.328 -8.745 2.488 1.00 22.31 H new ATOM 0 HA GLN A 3 8.941 -7.635 3.746 1.00 5.11 H new ATOM 0 HB2 GLN A 3 9.578 -10.385 2.588 1.00 13.21 H new ATOM 0 HB3 GLN A 3 8.003 -9.894 3.179 1.00 13.21 H new ATOM 0 HG2 GLN A 3 9.477 -8.596 0.858 1.00 1.33 H new ATOM 0 HG3 GLN A 3 8.200 -9.785 0.701 1.00 1.33 H new ATOM 0 HE21 GLN A 3 6.032 -9.225 1.214 1.00 73.21 H new ATOM 0 HE22 GLN A 3 5.531 -7.535 1.329 1.00 73.21 H new ATOM 47 N ILE A 4 9.525 -8.344 6.075 1.00 53.52 N ATOM 48 CA ILE A 4 9.572 -8.858 7.448 1.00 53.42 C ATOM 49 C ILE A 4 8.292 -9.652 7.763 1.00 24.35 C ATOM 50 O ILE A 4 7.311 -9.108 8.274 1.00 43.11 O ATOM 51 CB ILE A 4 9.755 -7.718 8.486 1.00 72.12 C ATOM 52 CG1 ILE A 4 10.985 -6.857 8.138 1.00 13.10 C ATOM 53 CG2 ILE A 4 9.885 -8.286 9.903 1.00 50.35 C ATOM 54 CD1 ILE A 4 12.297 -7.621 8.132 1.00 23.11 C ATOM 0 H ILE A 4 9.288 -7.355 6.002 1.00 53.52 H new ATOM 0 HA ILE A 4 10.437 -9.517 7.521 1.00 53.42 H new ATOM 0 HB ILE A 4 8.868 -7.085 8.451 1.00 72.12 H new ATOM 0 HG12 ILE A 4 10.834 -6.408 7.156 1.00 13.10 H new ATOM 0 HG13 ILE A 4 11.057 -6.039 8.855 1.00 13.10 H new ATOM 0 HG21 ILE A 4 10.012 -7.468 10.612 1.00 50.35 H new ATOM 0 HG22 ILE A 4 8.985 -8.847 10.154 1.00 50.35 H new ATOM 0 HG23 ILE A 4 10.750 -8.947 9.952 1.00 50.35 H new ATOM 0 HD11 ILE A 4 13.112 -6.943 7.878 1.00 23.11 H new ATOM 0 HD12 ILE A 4 12.474 -8.047 9.119 1.00 23.11 H new ATOM 0 HD13 ILE A 4 12.248 -8.422 7.394 1.00 23.11 H new ATOM 66 N ILE A 5 8.301 -10.935 7.410 1.00 32.54 N ATOM 67 CA ILE A 5 7.124 -11.801 7.566 1.00 33.10 C ATOM 68 C ILE A 5 7.255 -12.725 8.787 1.00 32.44 C ATOM 69 O ILE A 5 8.329 -13.258 9.060 1.00 0.33 O ATOM 70 CB ILE A 5 6.910 -12.674 6.297 1.00 15.22 C ATOM 71 CG1 ILE A 5 6.805 -11.788 5.043 1.00 65.01 C ATOM 72 CG2 ILE A 5 5.665 -13.552 6.438 1.00 54.35 C ATOM 73 CD1 ILE A 5 6.691 -12.566 3.744 1.00 5.21 C ATOM 0 H ILE A 5 9.114 -11.405 7.011 1.00 32.54 H new ATOM 0 HA ILE A 5 6.266 -11.144 7.712 1.00 33.10 H new ATOM 0 HB ILE A 5 7.775 -13.328 6.188 1.00 15.22 H new ATOM 0 HG12 ILE A 5 5.936 -11.137 5.142 1.00 65.01 H new ATOM 0 HG13 ILE A 5 7.682 -11.143 4.992 1.00 65.01 H new ATOM 0 HG21 ILE A 5 5.539 -14.152 5.537 1.00 54.35 H new ATOM 0 HG22 ILE A 5 5.780 -14.210 7.299 1.00 54.35 H new ATOM 0 HG23 ILE A 5 4.788 -12.920 6.579 1.00 54.35 H new ATOM 0 HD11 ILE A 5 6.621 -11.870 2.908 1.00 5.21 H new ATOM 0 HD12 ILE A 5 7.571 -13.196 3.619 1.00 5.21 H new ATOM 0 HD13 ILE A 5 5.798 -13.191 3.771 1.00 5.21 H new ATOM 85 N PHE A 6 6.155 -12.907 9.516 1.00 61.44 N ATOM 86 CA PHE A 6 6.111 -13.841 10.650 1.00 20.13 C ATOM 87 C PHE A 6 5.052 -14.933 10.420 1.00 42.22 C ATOM 88 O PHE A 6 3.909 -14.635 10.061 1.00 55.52 O ATOM 89 CB PHE A 6 5.816 -13.090 11.956 1.00 51.04 C ATOM 90 CG PHE A 6 6.899 -12.117 12.357 1.00 53.35 C ATOM 91 CD1 PHE A 6 8.047 -12.561 13.002 1.00 53.41 C ATOM 92 CD2 PHE A 6 6.771 -10.760 12.089 1.00 34.45 C ATOM 93 CE1 PHE A 6 9.041 -11.675 13.369 1.00 34.22 C ATOM 94 CE2 PHE A 6 7.764 -9.871 12.455 1.00 73.33 C ATOM 95 CZ PHE A 6 8.899 -10.329 13.096 1.00 60.14 C ATOM 0 H PHE A 6 5.276 -12.419 9.344 1.00 61.44 H new ATOM 0 HA PHE A 6 7.088 -14.318 10.731 1.00 20.13 H new ATOM 0 HB2 PHE A 6 4.876 -12.549 11.849 1.00 51.04 H new ATOM 0 HB3 PHE A 6 5.677 -13.815 12.758 1.00 51.04 H new ATOM 0 HD1 PHE A 6 8.163 -13.613 13.219 1.00 53.41 H new ATOM 0 HD2 PHE A 6 5.886 -10.396 11.589 1.00 34.45 H new ATOM 0 HE1 PHE A 6 9.928 -12.035 13.869 1.00 34.22 H new ATOM 0 HE2 PHE A 6 7.653 -8.818 12.240 1.00 73.33 H new ATOM 0 HZ PHE A 6 9.675 -9.635 13.383 1.00 60.14 H new ATOM 105 N ASN A 7 5.441 -16.194 10.624 1.00 31.44 N ATOM 106 CA ASN A 7 4.533 -17.335 10.405 1.00 24.02 C ATOM 107 C ASN A 7 5.145 -18.657 10.900 1.00 32.25 C ATOM 108 O ASN A 7 4.431 -19.547 11.369 1.00 44.13 O ATOM 109 CB ASN A 7 4.180 -17.455 8.913 1.00 23.14 C ATOM 110 CG ASN A 7 3.252 -18.623 8.625 1.00 74.52 C ATOM 111 OD1 ASN A 7 3.693 -19.731 8.336 1.00 32.35 O ATOM 112 ND2 ASN A 7 1.961 -18.385 8.712 1.00 50.40 N ATOM 0 H ASN A 7 6.375 -16.456 10.940 1.00 31.44 H new ATOM 0 HA ASN A 7 3.628 -17.146 10.982 1.00 24.02 H new ATOM 0 HB2 ASN A 7 3.709 -16.530 8.579 1.00 23.14 H new ATOM 0 HB3 ASN A 7 5.096 -17.573 8.335 1.00 23.14 H new ATOM 0 HD21 ASN A 7 1.291 -19.134 8.537 1.00 50.40 H new ATOM 0 HD22 ASN A 7 1.630 -17.451 8.955 1.00 50.40 H new ATOM 119 N GLU A 8 6.465 -18.768 10.793 1.00 33.45 N ATOM 120 CA GLU A 8 7.196 -19.992 11.153 1.00 41.35 C ATOM 121 C GLU A 8 6.789 -20.570 12.527 1.00 55.33 C ATOM 122 O GLU A 8 6.967 -19.939 13.574 1.00 63.53 O ATOM 123 CB GLU A 8 8.715 -19.732 11.123 1.00 4.54 C ATOM 124 CG GLU A 8 9.216 -18.691 12.130 1.00 4.30 C ATOM 125 CD GLU A 8 8.579 -17.323 11.938 1.00 55.34 C ATOM 126 OE1 GLU A 8 8.665 -16.782 10.815 1.00 34.01 O ATOM 127 OE2 GLU A 8 7.977 -16.794 12.896 1.00 21.22 O ATOM 0 H GLU A 8 7.064 -18.015 10.455 1.00 33.45 H new ATOM 0 HA GLU A 8 6.928 -20.740 10.407 1.00 41.35 H new ATOM 0 HB2 GLU A 8 9.233 -20.673 11.309 1.00 4.54 H new ATOM 0 HB3 GLU A 8 8.993 -19.408 10.120 1.00 4.54 H new ATOM 0 HG2 GLU A 8 9.010 -19.043 13.141 1.00 4.30 H new ATOM 0 HG3 GLU A 8 10.298 -18.598 12.040 1.00 4.30 H new ATOM 134 N GLU A 9 6.233 -21.780 12.508 1.00 25.54 N ATOM 135 CA GLU A 9 5.929 -22.522 13.738 1.00 52.11 C ATOM 136 C GLU A 9 6.891 -23.706 13.913 1.00 1.54 C ATOM 137 O GLU A 9 6.676 -24.785 13.353 1.00 1.15 O ATOM 138 CB GLU A 9 4.474 -23.023 13.732 1.00 4.22 C ATOM 139 CG GLU A 9 3.428 -21.934 13.958 1.00 60.34 C ATOM 140 CD GLU A 9 3.536 -21.287 15.334 1.00 41.04 C ATOM 141 OE1 GLU A 9 3.525 -22.019 16.347 1.00 43.41 O ATOM 142 OE2 GLU A 9 3.644 -20.043 15.410 1.00 54.14 O ATOM 0 H GLU A 9 5.981 -22.273 11.651 1.00 25.54 H new ATOM 0 HA GLU A 9 6.058 -21.839 14.578 1.00 52.11 H new ATOM 0 HB2 GLU A 9 4.274 -23.508 12.777 1.00 4.22 H new ATOM 0 HB3 GLU A 9 4.362 -23.783 14.505 1.00 4.22 H new ATOM 0 HG2 GLU A 9 3.537 -21.167 13.191 1.00 60.34 H new ATOM 0 HG3 GLU A 9 2.433 -22.363 13.840 1.00 60.34 H new ATOM 149 N TRP A 10 7.970 -23.480 14.660 1.00 25.05 N ATOM 150 CA TRP A 10 8.939 -24.533 14.987 1.00 64.52 C ATOM 151 C TRP A 10 8.595 -25.177 16.336 1.00 73.11 C ATOM 152 O TRP A 10 8.306 -24.473 17.306 1.00 14.15 O ATOM 153 CB TRP A 10 10.357 -23.949 15.057 1.00 10.54 C ATOM 154 CG TRP A 10 10.799 -23.267 13.798 1.00 31.50 C ATOM 155 CD1 TRP A 10 10.726 -21.932 13.517 1.00 52.12 C ATOM 156 CD2 TRP A 10 11.386 -23.887 12.650 1.00 13.34 C ATOM 157 NE1 TRP A 10 11.233 -21.686 12.267 1.00 44.32 N ATOM 158 CE2 TRP A 10 11.643 -22.868 11.713 1.00 34.54 C ATOM 159 CE3 TRP A 10 11.720 -25.204 12.322 1.00 54.14 C ATOM 160 CZ2 TRP A 10 12.218 -23.124 10.474 1.00 71.02 C ATOM 161 CZ3 TRP A 10 12.293 -25.456 11.089 1.00 71.32 C ATOM 162 CH2 TRP A 10 12.536 -24.420 10.179 1.00 12.00 C ATOM 0 H TRP A 10 8.200 -22.568 15.055 1.00 25.05 H new ATOM 0 HA TRP A 10 8.895 -25.289 14.203 1.00 64.52 H new ATOM 0 HB2 TRP A 10 10.405 -23.236 15.880 1.00 10.54 H new ATOM 0 HB3 TRP A 10 11.058 -24.751 15.289 1.00 10.54 H new ATOM 0 HD1 TRP A 10 10.327 -21.180 14.182 1.00 52.12 H new ATOM 0 HE1 TRP A 10 11.295 -20.770 11.822 1.00 44.32 H new ATOM 0 HE3 TRP A 10 11.534 -26.009 13.018 1.00 54.14 H new ATOM 0 HZ2 TRP A 10 12.407 -22.327 9.770 1.00 71.02 H new ATOM 0 HZ3 TRP A 10 12.558 -26.469 10.823 1.00 71.32 H new ATOM 0 HH2 TRP A 10 12.984 -24.650 9.224 1.00 12.00 H new ATOM 173 N MET A 11 8.624 -26.503 16.402 1.00 14.21 N ATOM 174 CA MET A 11 8.312 -27.210 17.648 1.00 2.10 C ATOM 175 C MET A 11 8.925 -28.616 17.681 1.00 42.14 C ATOM 176 O MET A 11 9.176 -29.223 16.639 1.00 23.24 O ATOM 177 CB MET A 11 6.792 -27.288 17.835 1.00 53.50 C ATOM 178 CG MET A 11 6.051 -27.941 16.675 1.00 74.31 C ATOM 179 SD MET A 11 4.259 -27.800 16.838 1.00 3.22 S ATOM 180 CE MET A 11 4.047 -26.019 16.784 1.00 1.21 C ATOM 0 H MET A 11 8.858 -27.110 15.617 1.00 14.21 H new ATOM 0 HA MET A 11 8.753 -26.646 18.470 1.00 2.10 H new ATOM 0 HB2 MET A 11 6.578 -27.845 18.747 1.00 53.50 H new ATOM 0 HB3 MET A 11 6.403 -26.280 17.978 1.00 53.50 H new ATOM 0 HG2 MET A 11 6.366 -27.478 15.740 1.00 74.31 H new ATOM 0 HG3 MET A 11 6.326 -28.994 16.618 1.00 74.31 H new ATOM 0 HE1 MET A 11 3.043 -25.783 16.432 1.00 1.21 H new ATOM 0 HE2 MET A 11 4.189 -25.605 17.782 1.00 1.21 H new ATOM 0 HE3 MET A 11 4.781 -25.586 16.104 1.00 1.21 H new ATOM 190 N VAL A 12 9.177 -29.120 18.889 1.00 71.45 N ATOM 191 CA VAL A 12 9.697 -30.480 19.069 1.00 42.35 C ATOM 192 C VAL A 12 8.585 -31.523 18.866 1.00 51.25 C ATOM 193 O VAL A 12 7.407 -31.171 18.788 1.00 34.22 O ATOM 194 CB VAL A 12 10.328 -30.658 20.474 1.00 41.20 C ATOM 195 CG1 VAL A 12 11.497 -29.688 20.665 1.00 71.33 C ATOM 196 CG2 VAL A 12 9.277 -30.471 21.570 1.00 23.41 C ATOM 0 H VAL A 12 9.030 -28.609 19.759 1.00 71.45 H new ATOM 0 HA VAL A 12 10.471 -30.635 18.317 1.00 42.35 H new ATOM 0 HB VAL A 12 10.714 -31.675 20.550 1.00 41.20 H new ATOM 0 HG11 VAL A 12 11.927 -29.828 21.657 1.00 71.33 H new ATOM 0 HG12 VAL A 12 12.258 -29.882 19.909 1.00 71.33 H new ATOM 0 HG13 VAL A 12 11.139 -28.663 20.566 1.00 71.33 H new ATOM 0 HG21 VAL A 12 9.743 -30.601 22.547 1.00 23.41 H new ATOM 0 HG22 VAL A 12 8.853 -29.469 21.500 1.00 23.41 H new ATOM 0 HG23 VAL A 12 8.485 -31.210 21.445 1.00 23.41 H new ATOM 206 N GLU A 13 8.956 -32.800 18.809 1.00 63.42 N ATOM 207 CA GLU A 13 7.998 -33.878 18.513 1.00 34.14 C ATOM 208 C GLU A 13 6.827 -33.908 19.514 1.00 72.03 C ATOM 209 O GLU A 13 5.661 -34.019 19.121 1.00 23.11 O ATOM 210 CB GLU A 13 8.726 -35.230 18.500 1.00 74.41 C ATOM 211 CG GLU A 13 7.913 -36.367 17.892 1.00 20.35 C ATOM 212 CD GLU A 13 8.704 -37.661 17.798 1.00 32.52 C ATOM 213 OE1 GLU A 13 9.708 -37.697 17.051 1.00 70.21 O ATOM 214 OE2 GLU A 13 8.326 -38.649 18.459 1.00 41.24 O ATOM 0 H GLU A 13 9.912 -33.120 18.963 1.00 63.42 H new ATOM 0 HA GLU A 13 7.572 -33.682 17.529 1.00 34.14 H new ATOM 0 HB2 GLU A 13 9.657 -35.124 17.943 1.00 74.41 H new ATOM 0 HB3 GLU A 13 8.995 -35.496 19.522 1.00 74.41 H new ATOM 0 HG2 GLU A 13 7.020 -36.534 18.494 1.00 20.35 H new ATOM 0 HG3 GLU A 13 7.577 -36.077 16.897 1.00 20.35 H new ATOM 221 N LYS A 14 7.142 -33.796 20.803 1.00 64.43 N ATOM 222 CA LYS A 14 6.121 -33.788 21.860 1.00 41.32 C ATOM 223 C LYS A 14 5.161 -32.592 21.697 1.00 75.43 C ATOM 224 O LYS A 14 3.957 -32.713 21.922 1.00 11.54 O ATOM 225 CB LYS A 14 6.802 -33.758 23.244 1.00 53.33 C ATOM 226 CG LYS A 14 5.881 -34.092 24.421 1.00 22.41 C ATOM 227 CD LYS A 14 5.081 -32.881 24.903 1.00 44.23 C ATOM 228 CE LYS A 14 5.975 -31.824 25.545 1.00 22.30 C ATOM 229 NZ LYS A 14 5.201 -30.647 26.023 1.00 11.14 N ATOM 0 H LYS A 14 8.099 -33.709 21.146 1.00 64.43 H new ATOM 0 HA LYS A 14 5.528 -34.699 21.777 1.00 41.32 H new ATOM 0 HB2 LYS A 14 7.633 -34.463 23.240 1.00 53.33 H new ATOM 0 HB3 LYS A 14 7.226 -32.767 23.403 1.00 53.33 H new ATOM 0 HG2 LYS A 14 5.192 -34.884 24.126 1.00 22.41 H new ATOM 0 HG3 LYS A 14 6.478 -34.480 25.246 1.00 22.41 H new ATOM 0 HD2 LYS A 14 4.547 -32.441 24.061 1.00 44.23 H new ATOM 0 HD3 LYS A 14 4.330 -33.206 25.623 1.00 44.23 H new ATOM 0 HE2 LYS A 14 6.514 -32.267 26.383 1.00 22.30 H new ATOM 0 HE3 LYS A 14 6.723 -31.496 24.823 1.00 22.30 H new ATOM 0 HZ1 LYS A 14 5.849 -29.956 26.451 1.00 11.14 H new ATOM 0 HZ2 LYS A 14 4.707 -30.207 25.220 1.00 11.14 H new ATOM 0 HZ3 LYS A 14 4.505 -30.954 26.732 1.00 11.14 H new ATOM 243 N ALA A 15 5.697 -31.439 21.304 1.00 74.52 N ATOM 244 CA ALA A 15 4.875 -30.246 21.080 1.00 31.54 C ATOM 245 C ALA A 15 4.034 -30.386 19.803 1.00 22.35 C ATOM 246 O ALA A 15 2.869 -29.981 19.760 1.00 31.41 O ATOM 247 CB ALA A 15 5.756 -29.007 21.005 1.00 72.45 C ATOM 0 H ALA A 15 6.693 -31.303 21.134 1.00 74.52 H new ATOM 0 HA ALA A 15 4.191 -30.141 21.922 1.00 31.54 H new ATOM 0 HB1 ALA A 15 5.134 -28.128 20.838 1.00 72.45 H new ATOM 0 HB2 ALA A 15 6.303 -28.892 21.941 1.00 72.45 H new ATOM 0 HB3 ALA A 15 6.463 -29.112 20.182 1.00 72.45 H new ATOM 253 N LEU A 16 4.636 -30.984 18.775 1.00 1.22 N ATOM 254 CA LEU A 16 3.976 -31.199 17.483 1.00 25.24 C ATOM 255 C LEU A 16 2.736 -32.093 17.641 1.00 0.21 C ATOM 256 O LEU A 16 1.656 -31.768 17.144 1.00 23.14 O ATOM 257 CB LEU A 16 4.987 -31.818 16.490 1.00 41.44 C ATOM 258 CG LEU A 16 4.565 -31.887 15.003 1.00 53.20 C ATOM 259 CD1 LEU A 16 3.560 -33.011 14.748 1.00 20.51 C ATOM 260 CD2 LEU A 16 4.003 -30.543 14.536 1.00 12.11 C ATOM 0 H LEU A 16 5.594 -31.333 18.812 1.00 1.22 H new ATOM 0 HA LEU A 16 3.635 -30.241 17.091 1.00 25.24 H new ATOM 0 HB2 LEU A 16 5.914 -31.248 16.552 1.00 41.44 H new ATOM 0 HB3 LEU A 16 5.213 -32.831 16.825 1.00 41.44 H new ATOM 0 HG LEU A 16 5.459 -32.111 14.421 1.00 53.20 H new ATOM 0 HD11 LEU A 16 3.290 -33.025 13.692 1.00 20.51 H new ATOM 0 HD12 LEU A 16 4.007 -33.967 15.021 1.00 20.51 H new ATOM 0 HD13 LEU A 16 2.666 -32.843 15.349 1.00 20.51 H new ATOM 0 HD21 LEU A 16 3.713 -30.614 13.488 1.00 12.11 H new ATOM 0 HD22 LEU A 16 3.131 -30.285 15.137 1.00 12.11 H new ATOM 0 HD23 LEU A 16 4.764 -29.771 14.650 1.00 12.11 H new ATOM 272 N MET A 17 2.892 -33.215 18.343 1.00 12.51 N ATOM 273 CA MET A 17 1.786 -34.161 18.543 1.00 33.11 C ATOM 274 C MET A 17 0.607 -33.516 19.300 1.00 15.33 C ATOM 275 O MET A 17 -0.547 -33.907 19.121 1.00 74.33 O ATOM 276 CB MET A 17 2.280 -35.417 19.278 1.00 63.20 C ATOM 277 CG MET A 17 2.784 -35.168 20.691 1.00 51.43 C ATOM 278 SD MET A 17 3.414 -36.667 21.474 1.00 31.14 S ATOM 279 CE MET A 17 4.810 -37.057 20.416 1.00 1.31 C ATOM 0 H MET A 17 3.769 -33.494 18.783 1.00 12.51 H new ATOM 0 HA MET A 17 1.420 -34.451 17.558 1.00 33.11 H new ATOM 0 HB2 MET A 17 1.466 -36.141 19.319 1.00 63.20 H new ATOM 0 HB3 MET A 17 3.082 -35.871 18.695 1.00 63.20 H new ATOM 0 HG2 MET A 17 3.573 -34.417 20.665 1.00 51.43 H new ATOM 0 HG3 MET A 17 1.974 -34.759 21.295 1.00 51.43 H new ATOM 0 HE1 MET A 17 4.581 -37.943 19.824 1.00 1.31 H new ATOM 0 HE2 MET A 17 5.008 -36.217 19.750 1.00 1.31 H new ATOM 0 HE3 MET A 17 5.690 -37.248 21.030 1.00 1.31 H new ATOM 289 N VAL A 18 0.900 -32.520 20.134 1.00 61.11 N ATOM 290 CA VAL A 18 -0.145 -31.789 20.863 1.00 22.23 C ATOM 291 C VAL A 18 -0.836 -30.757 19.955 1.00 15.04 C ATOM 292 O VAL A 18 -2.065 -30.708 19.873 1.00 34.21 O ATOM 293 CB VAL A 18 0.435 -31.082 22.118 1.00 14.21 C ATOM 294 CG1 VAL A 18 -0.643 -30.275 22.841 1.00 22.24 C ATOM 295 CG2 VAL A 18 1.070 -32.106 23.063 1.00 53.54 C ATOM 0 H VAL A 18 1.849 -32.198 20.324 1.00 61.11 H new ATOM 0 HA VAL A 18 -0.885 -32.521 21.187 1.00 22.23 H new ATOM 0 HB VAL A 18 1.209 -30.388 21.790 1.00 14.21 H new ATOM 0 HG11 VAL A 18 -0.209 -29.790 23.716 1.00 22.24 H new ATOM 0 HG12 VAL A 18 -1.043 -29.517 22.168 1.00 22.24 H new ATOM 0 HG13 VAL A 18 -1.446 -30.941 23.156 1.00 22.24 H new ATOM 0 HG21 VAL A 18 1.472 -31.594 23.937 1.00 53.54 H new ATOM 0 HG22 VAL A 18 0.315 -32.826 23.379 1.00 53.54 H new ATOM 0 HG23 VAL A 18 1.876 -32.628 22.546 1.00 53.54 H new ATOM 305 N ARG A 19 -0.038 -29.951 19.258 1.00 60.51 N ATOM 306 CA ARG A 19 -0.569 -28.923 18.347 1.00 42.21 C ATOM 307 C ARG A 19 -1.342 -29.528 17.159 1.00 60.34 C ATOM 308 O ARG A 19 -2.227 -28.884 16.596 1.00 72.13 O ATOM 309 CB ARG A 19 0.572 -28.032 17.833 1.00 50.51 C ATOM 310 CG ARG A 19 1.109 -27.056 18.879 1.00 72.00 C ATOM 311 CD ARG A 19 0.064 -26.010 19.262 1.00 32.51 C ATOM 312 NE ARG A 19 0.537 -25.105 20.309 1.00 13.41 N ATOM 313 CZ ARG A 19 -0.035 -23.966 20.602 1.00 22.22 C ATOM 314 NH1 ARG A 19 -1.043 -23.536 19.913 1.00 4.42 N ATOM 315 NH2 ARG A 19 0.411 -23.255 21.584 1.00 51.41 N ATOM 0 H ARG A 19 0.980 -29.985 19.302 1.00 60.51 H new ATOM 0 HA ARG A 19 -1.276 -28.323 18.919 1.00 42.21 H new ATOM 0 HB2 ARG A 19 1.389 -28.666 17.488 1.00 50.51 H new ATOM 0 HB3 ARG A 19 0.220 -27.468 16.970 1.00 50.51 H new ATOM 0 HG2 ARG A 19 1.416 -27.607 19.768 1.00 72.00 H new ATOM 0 HG3 ARG A 19 1.997 -26.558 18.491 1.00 72.00 H new ATOM 0 HD2 ARG A 19 -0.206 -25.430 18.379 1.00 32.51 H new ATOM 0 HD3 ARG A 19 -0.841 -26.513 19.602 1.00 32.51 H new ATOM 0 HE ARG A 19 1.362 -25.378 20.843 1.00 13.41 H new ATOM 0 HH11 ARG A 19 -1.399 -24.087 19.132 1.00 4.42 H new ATOM 0 HH12 ARG A 19 -1.481 -22.646 20.151 1.00 4.42 H new ATOM 0 HH21 ARG A 19 1.208 -23.582 22.130 1.00 51.41 H new ATOM 0 HH22 ARG A 19 -0.034 -22.366 21.814 1.00 51.41 H new ATOM 329 N THR A 20 -1.001 -30.757 16.775 1.00 0.43 N ATOM 330 CA THR A 20 -1.678 -31.431 15.654 1.00 30.44 C ATOM 331 C THR A 20 -2.754 -32.415 16.132 1.00 52.15 C ATOM 332 O THR A 20 -3.754 -32.634 15.447 1.00 34.22 O ATOM 333 CB THR A 20 -0.676 -32.210 14.775 1.00 44.33 C ATOM 334 OG1 THR A 20 -0.037 -33.236 15.554 1.00 41.42 O ATOM 335 CG2 THR A 20 0.378 -31.277 14.185 1.00 65.22 C ATOM 0 H THR A 20 -0.265 -31.309 17.217 1.00 0.43 H new ATOM 0 HA THR A 20 -2.148 -30.637 15.073 1.00 30.44 H new ATOM 0 HB THR A 20 -1.227 -32.667 13.953 1.00 44.33 H new ATOM 0 HG1 THR A 20 0.545 -32.822 16.225 1.00 41.42 H new ATOM 0 HG21 THR A 20 1.070 -31.853 13.571 1.00 65.22 H new ATOM 0 HG22 THR A 20 -0.109 -30.520 13.571 1.00 65.22 H new ATOM 0 HG23 THR A 20 0.927 -30.791 14.992 1.00 65.22 H new ATOM 343 N GLY A 21 -2.549 -33.007 17.307 1.00 55.35 N ATOM 344 CA GLY A 21 -3.494 -33.993 17.832 1.00 55.53 C ATOM 345 C GLY A 21 -3.010 -35.435 17.668 1.00 13.42 C ATOM 346 O GLY A 21 -3.554 -36.356 18.283 1.00 64.30 O ATOM 0 H GLY A 21 -1.746 -32.824 17.909 1.00 55.35 H new ATOM 0 HA2 GLY A 21 -3.669 -33.793 18.889 1.00 55.53 H new ATOM 0 HA3 GLY A 21 -4.451 -33.877 17.323 1.00 55.53 H new ATOM 350 N LEU A 22 -1.981 -35.627 16.842 1.00 50.34 N ATOM 351 CA LEU A 22 -1.410 -36.959 16.593 1.00 61.43 C ATOM 352 C LEU A 22 -0.725 -37.534 17.843 1.00 2.11 C ATOM 353 O LEU A 22 -0.373 -36.806 18.768 1.00 43.21 O ATOM 354 CB LEU A 22 -0.389 -36.904 15.438 1.00 44.22 C ATOM 355 CG LEU A 22 -0.975 -36.844 14.014 1.00 44.02 C ATOM 356 CD1 LEU A 22 -1.863 -35.616 13.828 1.00 44.42 C ATOM 357 CD2 LEU A 22 0.149 -36.862 12.976 1.00 61.22 C ATOM 0 H LEU A 22 -1.521 -34.875 16.329 1.00 50.34 H new ATOM 0 HA LEU A 22 -2.239 -37.613 16.323 1.00 61.43 H new ATOM 0 HB2 LEU A 22 0.247 -36.031 15.584 1.00 44.22 H new ATOM 0 HB3 LEU A 22 0.254 -37.781 15.507 1.00 44.22 H new ATOM 0 HG LEU A 22 -1.599 -37.726 13.869 1.00 44.02 H new ATOM 0 HD11 LEU A 22 -2.260 -35.604 12.813 1.00 44.42 H new ATOM 0 HD12 LEU A 22 -2.688 -35.652 14.540 1.00 44.42 H new ATOM 0 HD13 LEU A 22 -1.276 -34.713 13.998 1.00 44.42 H new ATOM 0 HD21 LEU A 22 -0.280 -36.819 11.975 1.00 61.22 H new ATOM 0 HD22 LEU A 22 0.800 -36.001 13.129 1.00 61.22 H new ATOM 0 HD23 LEU A 22 0.729 -37.779 13.083 1.00 61.22 H new ATOM 369 N GLY A 23 -0.551 -38.852 17.859 1.00 23.32 N ATOM 370 CA GLY A 23 0.211 -39.508 18.918 1.00 24.52 C ATOM 371 C GLY A 23 1.598 -39.946 18.454 1.00 20.41 C ATOM 372 O GLY A 23 1.839 -40.083 17.250 1.00 2.41 O ATOM 0 H GLY A 23 -0.926 -39.486 17.153 1.00 23.32 H new ATOM 0 HA2 GLY A 23 0.312 -38.827 19.763 1.00 24.52 H new ATOM 0 HA3 GLY A 23 -0.341 -40.378 19.273 1.00 24.52 H new ATOM 376 N ALA A 24 2.504 -40.182 19.404 1.00 30.44 N ATOM 377 CA ALA A 24 3.880 -40.594 19.087 1.00 24.14 C ATOM 378 C ALA A 24 3.904 -41.817 18.158 1.00 22.42 C ATOM 379 O ALA A 24 4.670 -41.863 17.193 1.00 62.15 O ATOM 380 CB ALA A 24 4.654 -40.886 20.370 1.00 71.53 C ATOM 0 H ALA A 24 2.313 -40.096 20.402 1.00 30.44 H new ATOM 0 HA ALA A 24 4.361 -39.769 18.561 1.00 24.14 H new ATOM 0 HB1 ALA A 24 5.671 -41.190 20.120 1.00 71.53 H new ATOM 0 HB2 ALA A 24 4.685 -39.989 20.988 1.00 71.53 H new ATOM 0 HB3 ALA A 24 4.160 -41.688 20.918 1.00 71.53 H new ATOM 386 N ARG A 25 3.031 -42.787 18.444 1.00 11.13 N ATOM 387 CA ARG A 25 2.931 -44.018 17.647 1.00 61.13 C ATOM 388 C ARG A 25 2.592 -43.720 16.176 1.00 22.42 C ATOM 389 O ARG A 25 3.004 -44.447 15.268 1.00 3.24 O ATOM 390 CB ARG A 25 1.864 -44.954 18.244 1.00 25.24 C ATOM 391 CG ARG A 25 0.434 -44.416 18.144 1.00 72.33 C ATOM 392 CD ARG A 25 -0.598 -45.428 18.633 1.00 62.13 C ATOM 393 NE ARG A 25 -0.455 -46.721 17.968 1.00 44.12 N ATOM 394 CZ ARG A 25 -1.449 -47.448 17.540 1.00 42.25 C ATOM 395 NH1 ARG A 25 -2.664 -47.018 17.613 1.00 41.32 N ATOM 396 NH2 ARG A 25 -1.217 -48.602 17.013 1.00 44.11 N ATOM 0 H ARG A 25 2.378 -42.745 19.227 1.00 11.13 H new ATOM 0 HA ARG A 25 3.905 -44.506 17.677 1.00 61.13 H new ATOM 0 HB2 ARG A 25 1.915 -45.917 17.735 1.00 25.24 H new ATOM 0 HB3 ARG A 25 2.100 -45.135 19.293 1.00 25.24 H new ATOM 0 HG2 ARG A 25 0.350 -43.501 18.731 1.00 72.33 H new ATOM 0 HG3 ARG A 25 0.219 -44.151 17.109 1.00 72.33 H new ATOM 0 HD2 ARG A 25 -0.493 -45.561 19.710 1.00 62.13 H new ATOM 0 HD3 ARG A 25 -1.600 -45.038 18.456 1.00 62.13 H new ATOM 0 HE ARG A 25 0.489 -47.080 17.829 1.00 44.12 H new ATOM 0 HH11 ARG A 25 -2.856 -46.098 18.010 1.00 41.32 H new ATOM 0 HH12 ARG A 25 -3.432 -47.598 17.274 1.00 41.32 H new ATOM 0 HH21 ARG A 25 -0.259 -48.943 16.932 1.00 44.11 H new ATOM 0 HH22 ARG A 25 -1.992 -49.174 16.677 1.00 44.11 H new ATOM 410 N GLN A 26 1.835 -42.647 15.948 1.00 42.22 N ATOM 411 CA GLN A 26 1.411 -42.269 14.596 1.00 30.20 C ATOM 412 C GLN A 26 2.495 -41.440 13.890 1.00 10.24 C ATOM 413 O GLN A 26 2.680 -41.545 12.676 1.00 21.25 O ATOM 414 CB GLN A 26 0.088 -41.487 14.654 1.00 70.02 C ATOM 415 CG GLN A 26 -0.594 -41.316 13.300 1.00 12.13 C ATOM 416 CD GLN A 26 -1.944 -40.624 13.402 1.00 24.33 C ATOM 417 OE1 GLN A 26 -2.630 -40.718 14.412 1.00 33.11 O ATOM 418 NE2 GLN A 26 -2.345 -39.941 12.351 1.00 70.21 N ATOM 0 H GLN A 26 1.501 -42.022 16.682 1.00 42.22 H new ATOM 0 HA GLN A 26 1.256 -43.181 14.019 1.00 30.20 H new ATOM 0 HB2 GLN A 26 -0.595 -42.000 15.331 1.00 70.02 H new ATOM 0 HB3 GLN A 26 0.279 -40.502 15.080 1.00 70.02 H new ATOM 0 HG2 GLN A 26 0.056 -40.739 12.642 1.00 12.13 H new ATOM 0 HG3 GLN A 26 -0.727 -42.295 12.839 1.00 12.13 H new ATOM 0 HE21 GLN A 26 -1.750 -39.881 11.524 1.00 70.21 H new ATOM 0 HE22 GLN A 26 -3.250 -39.471 12.363 1.00 70.21 H new ATOM 427 N ILE A 27 3.216 -40.622 14.658 1.00 64.43 N ATOM 428 CA ILE A 27 4.320 -39.825 14.110 1.00 63.02 C ATOM 429 C ILE A 27 5.473 -40.725 13.638 1.00 51.45 C ATOM 430 O ILE A 27 5.946 -40.596 12.507 1.00 62.41 O ATOM 431 CB ILE A 27 4.857 -38.804 15.144 1.00 2.13 C ATOM 432 CG1 ILE A 27 3.739 -37.837 15.570 1.00 14.12 C ATOM 433 CG2 ILE A 27 6.055 -38.032 14.579 1.00 54.24 C ATOM 434 CD1 ILE A 27 4.182 -36.795 16.577 1.00 15.31 C ATOM 0 H ILE A 27 3.058 -40.493 15.657 1.00 64.43 H new ATOM 0 HA ILE A 27 3.919 -39.279 13.256 1.00 63.02 H new ATOM 0 HB ILE A 27 5.195 -39.352 16.023 1.00 2.13 H new ATOM 0 HG12 ILE A 27 3.352 -37.332 14.685 1.00 14.12 H new ATOM 0 HG13 ILE A 27 2.916 -38.412 15.995 1.00 14.12 H new ATOM 0 HG21 ILE A 27 6.414 -37.321 15.324 1.00 54.24 H new ATOM 0 HG22 ILE A 27 6.853 -38.731 14.330 1.00 54.24 H new ATOM 0 HG23 ILE A 27 5.751 -37.494 13.681 1.00 54.24 H new ATOM 0 HD11 ILE A 27 3.340 -36.151 16.828 1.00 15.31 H new ATOM 0 HD12 ILE A 27 4.542 -37.290 17.479 1.00 15.31 H new ATOM 0 HD13 ILE A 27 4.984 -36.193 16.149 1.00 15.31 H new ATOM 446 N GLU A 28 5.911 -41.646 14.504 1.00 54.02 N ATOM 447 CA GLU A 28 6.981 -42.592 14.152 1.00 31.31 C ATOM 448 C GLU A 28 6.599 -43.430 12.924 1.00 63.40 C ATOM 449 O GLU A 28 7.464 -43.949 12.216 1.00 23.14 O ATOM 450 CB GLU A 28 7.311 -43.506 15.341 1.00 2.11 C ATOM 451 CG GLU A 28 6.153 -44.385 15.794 1.00 14.41 C ATOM 452 CD GLU A 28 6.507 -45.245 16.998 1.00 44.21 C ATOM 453 OE1 GLU A 28 7.071 -46.341 16.806 1.00 22.23 O ATOM 454 OE2 GLU A 28 6.233 -44.822 18.140 1.00 20.15 O ATOM 0 H GLU A 28 5.545 -41.758 15.449 1.00 54.02 H new ATOM 0 HA GLU A 28 7.869 -42.011 13.903 1.00 31.31 H new ATOM 0 HB2 GLU A 28 8.153 -44.144 15.072 1.00 2.11 H new ATOM 0 HB3 GLU A 28 7.634 -42.890 16.180 1.00 2.11 H new ATOM 0 HG2 GLU A 28 5.299 -43.755 16.041 1.00 14.41 H new ATOM 0 HG3 GLU A 28 5.847 -45.029 14.970 1.00 14.41 H new ATOM 461 N SER A 29 5.295 -43.551 12.676 1.00 35.43 N ATOM 462 CA SER A 29 4.793 -44.214 11.468 1.00 73.11 C ATOM 463 C SER A 29 5.147 -43.396 10.218 1.00 33.02 C ATOM 464 O SER A 29 5.807 -43.891 9.310 1.00 21.40 O ATOM 465 CB SER A 29 3.270 -44.412 11.547 1.00 3.34 C ATOM 466 OG SER A 29 2.767 -45.049 10.382 1.00 20.54 O ATOM 0 H SER A 29 4.565 -43.199 13.295 1.00 35.43 H new ATOM 0 HA SER A 29 5.270 -45.192 11.399 1.00 73.11 H new ATOM 0 HB2 SER A 29 3.025 -45.010 12.425 1.00 3.34 H new ATOM 0 HB3 SER A 29 2.782 -43.445 11.674 1.00 3.34 H new ATOM 0 HG SER A 29 1.797 -45.162 10.464 1.00 20.54 H new ATOM 472 N TYR A 30 4.734 -42.127 10.195 1.00 64.40 N ATOM 473 CA TYR A 30 4.980 -41.251 9.040 1.00 65.10 C ATOM 474 C TYR A 30 6.476 -40.968 8.835 1.00 41.42 C ATOM 475 O TYR A 30 6.921 -40.689 7.717 1.00 1.20 O ATOM 476 CB TYR A 30 4.216 -39.932 9.201 1.00 34.12 C ATOM 477 CG TYR A 30 2.720 -40.113 9.355 1.00 20.40 C ATOM 478 CD1 TYR A 30 2.046 -41.105 8.653 1.00 12.54 C ATOM 479 CD2 TYR A 30 1.984 -39.300 10.212 1.00 13.20 C ATOM 480 CE1 TYR A 30 0.685 -41.280 8.796 1.00 11.51 C ATOM 481 CE2 TYR A 30 0.623 -39.471 10.359 1.00 61.05 C ATOM 482 CZ TYR A 30 -0.020 -40.462 9.650 1.00 24.25 C ATOM 483 OH TYR A 30 -1.372 -40.640 9.800 1.00 54.04 O ATOM 0 H TYR A 30 4.228 -41.681 10.960 1.00 64.40 H new ATOM 0 HA TYR A 30 4.620 -41.776 8.155 1.00 65.10 H new ATOM 0 HB2 TYR A 30 4.601 -39.403 10.073 1.00 34.12 H new ATOM 0 HB3 TYR A 30 4.410 -39.301 8.333 1.00 34.12 H new ATOM 0 HD1 TYR A 30 2.597 -41.750 7.984 1.00 12.54 H new ATOM 0 HD2 TYR A 30 2.486 -38.524 10.770 1.00 13.20 H new ATOM 0 HE1 TYR A 30 0.176 -42.054 8.241 1.00 11.51 H new ATOM 0 HE2 TYR A 30 0.064 -38.831 11.026 1.00 61.05 H new ATOM 0 HH TYR A 30 -1.595 -41.584 9.660 1.00 54.04 H new ATOM 493 N ARG A 31 7.252 -41.050 9.915 1.00 61.31 N ATOM 494 CA ARG A 31 8.708 -40.858 9.844 1.00 25.40 C ATOM 495 C ARG A 31 9.382 -41.893 8.917 1.00 3.32 C ATOM 496 O ARG A 31 10.560 -41.764 8.588 1.00 3.15 O ATOM 497 CB ARG A 31 9.329 -40.918 11.252 1.00 21.03 C ATOM 498 CG ARG A 31 8.972 -39.721 12.135 1.00 73.23 C ATOM 499 CD ARG A 31 9.526 -39.861 13.550 1.00 10.04 C ATOM 500 NE ARG A 31 10.984 -39.986 13.579 1.00 41.14 N ATOM 501 CZ ARG A 31 11.683 -40.146 14.674 1.00 11.24 C ATOM 502 NH1 ARG A 31 11.100 -40.217 15.827 1.00 34.34 N ATOM 503 NH2 ARG A 31 12.969 -40.240 14.610 1.00 32.45 N ATOM 0 H ARG A 31 6.901 -41.248 10.852 1.00 61.31 H new ATOM 0 HA ARG A 31 8.885 -39.870 9.418 1.00 25.40 H new ATOM 0 HB2 ARG A 31 9.000 -41.833 11.745 1.00 21.03 H new ATOM 0 HB3 ARG A 31 10.413 -40.978 11.159 1.00 21.03 H new ATOM 0 HG2 ARG A 31 9.362 -38.809 11.683 1.00 73.23 H new ATOM 0 HG3 ARG A 31 7.888 -39.616 12.180 1.00 73.23 H new ATOM 0 HD2 ARG A 31 9.229 -38.993 14.139 1.00 10.04 H new ATOM 0 HD3 ARG A 31 9.081 -40.736 14.024 1.00 10.04 H new ATOM 0 HE ARG A 31 11.486 -39.946 12.692 1.00 41.14 H new ATOM 0 HH11 ARG A 31 10.084 -40.148 15.890 1.00 34.34 H new ATOM 0 HH12 ARG A 31 11.656 -40.342 16.673 1.00 34.34 H new ATOM 0 HH21 ARG A 31 13.440 -40.190 13.707 1.00 32.45 H new ATOM 0 HH22 ARG A 31 13.514 -40.365 15.463 1.00 32.45 H new ATOM 517 N GLN A 32 8.628 -42.918 8.504 1.00 73.45 N ATOM 518 CA GLN A 32 9.142 -43.951 7.591 1.00 63.31 C ATOM 519 C GLN A 32 9.527 -43.371 6.213 1.00 43.14 C ATOM 520 O GLN A 32 10.329 -43.966 5.487 1.00 41.14 O ATOM 521 CB GLN A 32 8.099 -45.065 7.408 1.00 41.20 C ATOM 522 CG GLN A 32 6.851 -44.624 6.645 1.00 51.53 C ATOM 523 CD GLN A 32 5.777 -45.702 6.564 1.00 24.04 C ATOM 524 OE1 GLN A 32 4.590 -45.407 6.506 1.00 73.41 O ATOM 525 NE2 GLN A 32 6.176 -46.958 6.551 1.00 32.33 N ATOM 0 H GLN A 32 7.658 -43.056 8.787 1.00 73.45 H new ATOM 0 HA GLN A 32 10.045 -44.360 8.044 1.00 63.31 H new ATOM 0 HB2 GLN A 32 8.561 -45.899 6.879 1.00 41.20 H new ATOM 0 HB3 GLN A 32 7.801 -45.436 8.389 1.00 41.20 H new ATOM 0 HG2 GLN A 32 6.433 -43.741 7.128 1.00 51.53 H new ATOM 0 HG3 GLN A 32 7.137 -44.330 5.635 1.00 51.53 H new ATOM 0 HE21 GLN A 32 7.171 -47.178 6.600 1.00 32.33 H new ATOM 0 HE22 GLN A 32 5.490 -47.710 6.492 1.00 32.33 H new ATOM 534 N GLY A 33 8.954 -42.213 5.857 1.00 33.52 N ATOM 535 CA GLY A 33 9.238 -41.614 4.551 1.00 11.15 C ATOM 536 C GLY A 33 8.415 -40.360 4.231 1.00 1.41 C ATOM 537 O GLY A 33 8.768 -39.602 3.327 1.00 71.20 O ATOM 0 H GLY A 33 8.306 -41.685 6.441 1.00 33.52 H new ATOM 0 HA2 GLY A 33 10.297 -41.359 4.505 1.00 11.15 H new ATOM 0 HA3 GLY A 33 9.056 -42.359 3.777 1.00 11.15 H new ATOM 541 N ALA A 34 7.316 -40.137 4.957 1.00 4.02 N ATOM 542 CA ALA A 34 6.457 -38.964 4.718 1.00 23.13 C ATOM 543 C ALA A 34 7.146 -37.654 5.143 1.00 55.55 C ATOM 544 O ALA A 34 6.896 -36.586 4.575 1.00 11.12 O ATOM 545 CB ALA A 34 5.124 -39.126 5.447 1.00 1.33 C ATOM 0 H ALA A 34 6.998 -40.746 5.711 1.00 4.02 H new ATOM 0 HA ALA A 34 6.272 -38.904 3.646 1.00 23.13 H new ATOM 0 HB1 ALA A 34 4.499 -38.252 5.262 1.00 1.33 H new ATOM 0 HB2 ALA A 34 4.616 -40.019 5.083 1.00 1.33 H new ATOM 0 HB3 ALA A 34 5.304 -39.223 6.518 1.00 1.33 H new ATOM 551 N TRP A 35 8.008 -37.744 6.151 1.00 51.14 N ATOM 552 CA TRP A 35 8.757 -36.583 6.645 1.00 42.51 C ATOM 553 C TRP A 35 9.854 -36.146 5.651 1.00 75.31 C ATOM 554 O TRP A 35 10.897 -36.788 5.534 1.00 71.12 O ATOM 555 CB TRP A 35 9.378 -36.905 8.015 1.00 4.20 C ATOM 556 CG TRP A 35 8.482 -36.657 9.210 1.00 31.51 C ATOM 557 CD1 TRP A 35 8.904 -36.472 10.496 1.00 23.42 C ATOM 558 CD2 TRP A 35 7.041 -36.559 9.249 1.00 41.23 C ATOM 559 NE1 TRP A 35 7.831 -36.270 11.326 1.00 71.31 N ATOM 560 CE2 TRP A 35 6.679 -36.317 10.589 1.00 50.34 C ATOM 561 CE3 TRP A 35 6.024 -36.650 8.293 1.00 60.11 C ATOM 562 CZ2 TRP A 35 5.352 -36.168 10.992 1.00 63.34 C ATOM 563 CZ3 TRP A 35 4.709 -36.499 8.693 1.00 64.21 C ATOM 564 CH2 TRP A 35 4.384 -36.260 10.031 1.00 50.14 C ATOM 0 H TRP A 35 8.209 -38.612 6.647 1.00 51.14 H new ATOM 0 HA TRP A 35 8.058 -35.753 6.749 1.00 42.51 H new ATOM 0 HB2 TRP A 35 9.680 -37.952 8.020 1.00 4.20 H new ATOM 0 HB3 TRP A 35 10.284 -36.311 8.133 1.00 4.20 H new ATOM 0 HD1 TRP A 35 9.936 -36.483 10.814 1.00 23.42 H new ATOM 0 HE1 TRP A 35 7.883 -36.110 12.332 1.00 71.31 H new ATOM 0 HE3 TRP A 35 6.263 -36.836 7.256 1.00 60.11 H new ATOM 0 HZ2 TRP A 35 5.098 -35.986 12.026 1.00 63.34 H new ATOM 0 HZ3 TRP A 35 3.920 -36.567 7.959 1.00 64.21 H new ATOM 0 HH2 TRP A 35 3.347 -36.146 10.311 1.00 50.14 H new ATOM 575 N ILE A 36 9.606 -35.043 4.943 1.00 33.30 N ATOM 576 CA ILE A 36 10.565 -34.507 3.965 1.00 55.05 C ATOM 577 C ILE A 36 11.578 -33.552 4.628 1.00 43.30 C ATOM 578 O ILE A 36 11.193 -32.524 5.197 1.00 74.15 O ATOM 579 CB ILE A 36 9.831 -33.749 2.826 1.00 65.32 C ATOM 580 CG1 ILE A 36 8.762 -34.647 2.178 1.00 14.23 C ATOM 581 CG2 ILE A 36 10.831 -33.261 1.776 1.00 72.02 C ATOM 582 CD1 ILE A 36 7.894 -33.929 1.161 1.00 24.24 C ATOM 0 H ILE A 36 8.747 -34.499 5.026 1.00 33.30 H new ATOM 0 HA ILE A 36 11.102 -35.360 3.550 1.00 55.05 H new ATOM 0 HB ILE A 36 9.333 -32.881 3.257 1.00 65.32 H new ATOM 0 HG12 ILE A 36 9.254 -35.489 1.692 1.00 14.23 H new ATOM 0 HG13 ILE A 36 8.124 -35.059 2.960 1.00 14.23 H new ATOM 0 HG21 ILE A 36 10.299 -32.732 0.985 1.00 72.02 H new ATOM 0 HG22 ILE A 36 11.550 -32.588 2.243 1.00 72.02 H new ATOM 0 HG23 ILE A 36 11.358 -34.115 1.350 1.00 72.02 H new ATOM 0 HD11 ILE A 36 7.165 -34.626 0.748 1.00 24.24 H new ATOM 0 HD12 ILE A 36 7.372 -33.104 1.646 1.00 24.24 H new ATOM 0 HD13 ILE A 36 8.520 -33.541 0.358 1.00 24.24 H new ATOM 594 N GLU A 37 12.869 -33.891 4.534 1.00 24.21 N ATOM 595 CA GLU A 37 13.945 -33.074 5.121 1.00 73.22 C ATOM 596 C GLU A 37 13.980 -31.656 4.524 1.00 20.53 C ATOM 597 O GLU A 37 13.647 -31.455 3.353 1.00 24.33 O ATOM 598 CB GLU A 37 15.308 -33.747 4.897 1.00 12.34 C ATOM 599 CG GLU A 37 15.744 -33.778 3.433 1.00 35.41 C ATOM 600 CD GLU A 37 17.187 -34.220 3.251 1.00 63.20 C ATOM 601 OE1 GLU A 37 18.092 -33.561 3.808 1.00 63.01 O ATOM 602 OE2 GLU A 37 17.428 -35.210 2.531 1.00 20.32 O ATOM 0 H GLU A 37 13.198 -34.729 4.055 1.00 24.21 H new ATOM 0 HA GLU A 37 13.740 -32.992 6.188 1.00 73.22 H new ATOM 0 HB2 GLU A 37 16.063 -33.221 5.481 1.00 12.34 H new ATOM 0 HB3 GLU A 37 15.266 -34.768 5.276 1.00 12.34 H new ATOM 0 HG2 GLU A 37 15.091 -34.453 2.880 1.00 35.41 H new ATOM 0 HG3 GLU A 37 15.617 -32.785 3.001 1.00 35.41 H new ATOM 609 N GLY A 38 14.379 -30.679 5.338 1.00 43.43 N ATOM 610 CA GLY A 38 14.471 -29.291 4.888 1.00 61.15 C ATOM 611 C GLY A 38 13.115 -28.599 4.752 1.00 52.03 C ATOM 612 O GLY A 38 12.933 -27.467 5.208 1.00 0.34 O ATOM 0 H GLY A 38 14.644 -30.823 6.312 1.00 43.43 H new ATOM 0 HA2 GLY A 38 15.086 -28.730 5.591 1.00 61.15 H new ATOM 0 HA3 GLY A 38 14.981 -29.263 3.925 1.00 61.15 H new ATOM 616 N VAL A 39 12.169 -29.275 4.110 1.00 55.21 N ATOM 617 CA VAL A 39 10.834 -28.725 3.873 1.00 41.14 C ATOM 618 C VAL A 39 9.935 -28.855 5.116 1.00 74.32 C ATOM 619 O VAL A 39 9.518 -27.856 5.695 1.00 53.13 O ATOM 620 CB VAL A 39 10.157 -29.431 2.669 1.00 20.35 C ATOM 621 CG1 VAL A 39 8.832 -28.761 2.313 1.00 74.44 C ATOM 622 CG2 VAL A 39 11.095 -29.459 1.461 1.00 13.33 C ATOM 0 H VAL A 39 12.302 -30.216 3.739 1.00 55.21 H new ATOM 0 HA VAL A 39 10.959 -27.666 3.649 1.00 41.14 H new ATOM 0 HB VAL A 39 9.943 -30.460 2.959 1.00 20.35 H new ATOM 0 HG11 VAL A 39 8.380 -29.277 1.466 1.00 74.44 H new ATOM 0 HG12 VAL A 39 8.159 -28.809 3.169 1.00 74.44 H new ATOM 0 HG13 VAL A 39 9.011 -27.718 2.050 1.00 74.44 H new ATOM 0 HG21 VAL A 39 10.601 -29.959 0.628 1.00 13.33 H new ATOM 0 HG22 VAL A 39 11.349 -28.439 1.174 1.00 13.33 H new ATOM 0 HG23 VAL A 39 12.005 -30.000 1.720 1.00 13.33 H new ATOM 632 N HIS A 40 9.645 -30.093 5.526 1.00 21.32 N ATOM 633 CA HIS A 40 8.740 -30.342 6.662 1.00 33.33 C ATOM 634 C HIS A 40 9.485 -30.328 8.012 1.00 13.34 C ATOM 635 O HIS A 40 8.867 -30.172 9.067 1.00 3.13 O ATOM 636 CB HIS A 40 8.003 -31.677 6.475 1.00 1.22 C ATOM 637 CG HIS A 40 7.127 -31.738 5.252 1.00 74.22 C ATOM 638 ND1 HIS A 40 6.776 -30.632 4.501 1.00 24.04 N ATOM 639 CD2 HIS A 40 6.524 -32.795 4.649 1.00 51.13 C ATOM 640 CE1 HIS A 40 6.003 -31.007 3.500 1.00 43.31 C ATOM 641 NE2 HIS A 40 5.837 -32.308 3.566 1.00 41.31 N ATOM 0 H HIS A 40 10.019 -30.938 5.094 1.00 21.32 H new ATOM 0 HA HIS A 40 8.014 -29.529 6.682 1.00 33.33 H new ATOM 0 HB2 HIS A 40 8.739 -32.480 6.420 1.00 1.22 H new ATOM 0 HB3 HIS A 40 7.390 -31.866 7.356 1.00 1.22 H new ATOM 0 HD2 HIS A 40 6.576 -33.827 4.964 1.00 51.13 H new ATOM 0 HE1 HIS A 40 5.578 -30.354 2.752 1.00 43.31 H new ATOM 0 HE2 HIS A 40 5.285 -32.867 2.916 1.00 41.31 H new ATOM 650 N PHE A 41 10.803 -30.513 7.967 1.00 64.03 N ATOM 651 CA PHE A 41 11.658 -30.424 9.161 1.00 4.43 C ATOM 652 C PHE A 41 13.131 -30.336 8.740 1.00 32.02 C ATOM 653 O PHE A 41 13.534 -30.970 7.769 1.00 14.21 O ATOM 654 CB PHE A 41 11.447 -31.639 10.085 1.00 2.40 C ATOM 655 CG PHE A 41 12.068 -32.919 9.572 1.00 20.54 C ATOM 656 CD1 PHE A 41 11.528 -33.589 8.484 1.00 42.35 C ATOM 657 CD2 PHE A 41 13.202 -33.447 10.178 1.00 14.34 C ATOM 658 CE1 PHE A 41 12.107 -34.752 8.012 1.00 21.22 C ATOM 659 CE2 PHE A 41 13.780 -34.610 9.710 1.00 52.15 C ATOM 660 CZ PHE A 41 13.233 -35.263 8.626 1.00 61.52 C ATOM 0 H PHE A 41 11.311 -30.728 7.109 1.00 64.03 H new ATOM 0 HA PHE A 41 11.383 -29.525 9.713 1.00 4.43 H new ATOM 0 HB2 PHE A 41 11.865 -31.413 11.066 1.00 2.40 H new ATOM 0 HB3 PHE A 41 10.377 -31.796 10.222 1.00 2.40 H new ATOM 0 HD1 PHE A 41 10.645 -33.198 8.000 1.00 42.35 H new ATOM 0 HD2 PHE A 41 13.637 -32.940 11.027 1.00 14.34 H new ATOM 0 HE1 PHE A 41 11.678 -35.262 7.162 1.00 21.22 H new ATOM 0 HE2 PHE A 41 14.660 -35.008 10.193 1.00 52.15 H new ATOM 0 HZ PHE A 41 13.684 -36.172 8.258 1.00 61.52 H new ATOM 670 N LYS A 42 13.936 -29.562 9.459 1.00 51.22 N ATOM 671 CA LYS A 42 15.349 -29.397 9.095 1.00 5.32 C ATOM 672 C LYS A 42 16.294 -29.680 10.269 1.00 73.55 C ATOM 673 O LYS A 42 15.891 -29.671 11.435 1.00 40.22 O ATOM 674 CB LYS A 42 15.614 -27.983 8.558 1.00 13.44 C ATOM 675 CG LYS A 42 15.368 -26.874 9.580 1.00 41.33 C ATOM 676 CD LYS A 42 15.892 -25.522 9.094 1.00 51.44 C ATOM 677 CE LYS A 42 15.217 -25.066 7.804 1.00 12.21 C ATOM 678 NZ LYS A 42 15.772 -23.775 7.323 1.00 22.42 N ATOM 0 H LYS A 42 13.645 -29.043 10.287 1.00 51.22 H new ATOM 0 HA LYS A 42 15.553 -30.130 8.315 1.00 5.32 H new ATOM 0 HB2 LYS A 42 16.647 -27.924 8.214 1.00 13.44 H new ATOM 0 HB3 LYS A 42 14.978 -27.810 7.690 1.00 13.44 H new ATOM 0 HG2 LYS A 42 14.300 -26.798 9.782 1.00 41.33 H new ATOM 0 HG3 LYS A 42 15.853 -27.134 10.521 1.00 41.33 H new ATOM 0 HD2 LYS A 42 15.731 -24.773 9.869 1.00 51.44 H new ATOM 0 HD3 LYS A 42 16.968 -25.589 8.934 1.00 51.44 H new ATOM 0 HE2 LYS A 42 15.348 -25.828 7.035 1.00 12.21 H new ATOM 0 HE3 LYS A 42 14.145 -24.962 7.971 1.00 12.21 H new ATOM 0 HZ1 LYS A 42 15.290 -23.496 6.445 1.00 22.42 H new ATOM 0 HZ2 LYS A 42 15.625 -23.043 8.047 1.00 22.42 H new ATOM 0 HZ3 LYS A 42 16.790 -23.881 7.140 1.00 22.42 H new ATOM 692 N ARG A 43 17.559 -29.930 9.939 1.00 52.31 N ATOM 693 CA ARG A 43 18.607 -30.139 10.944 1.00 20.33 C ATOM 694 C ARG A 43 19.020 -28.807 11.597 1.00 14.14 C ATOM 695 O ARG A 43 19.216 -27.800 10.911 1.00 11.32 O ATOM 696 CB ARG A 43 19.830 -30.811 10.296 1.00 10.51 C ATOM 697 CG ARG A 43 20.438 -30.001 9.152 1.00 3.21 C ATOM 698 CD ARG A 43 21.617 -30.714 8.498 1.00 52.21 C ATOM 699 NE ARG A 43 21.235 -31.992 7.901 1.00 52.53 N ATOM 700 CZ ARG A 43 21.374 -32.286 6.636 1.00 62.13 C ATOM 701 NH1 ARG A 43 21.815 -31.407 5.795 1.00 51.21 N ATOM 702 NH2 ARG A 43 21.057 -33.462 6.215 1.00 40.01 N ATOM 0 H ARG A 43 17.888 -29.994 8.976 1.00 52.31 H new ATOM 0 HA ARG A 43 18.209 -30.790 11.722 1.00 20.33 H new ATOM 0 HB2 ARG A 43 20.591 -30.974 11.059 1.00 10.51 H new ATOM 0 HB3 ARG A 43 19.539 -31.792 9.921 1.00 10.51 H new ATOM 0 HG2 ARG A 43 19.672 -29.807 8.401 1.00 3.21 H new ATOM 0 HG3 ARG A 43 20.767 -29.033 9.530 1.00 3.21 H new ATOM 0 HD2 ARG A 43 22.046 -30.071 7.729 1.00 52.21 H new ATOM 0 HD3 ARG A 43 22.395 -30.882 9.243 1.00 52.21 H new ATOM 0 HE ARG A 43 20.833 -32.702 8.513 1.00 52.53 H new ATOM 0 HH11 ARG A 43 22.059 -30.471 6.117 1.00 51.21 H new ATOM 0 HH12 ARG A 43 21.918 -31.651 4.810 1.00 51.21 H new ATOM 0 HH21 ARG A 43 20.699 -34.158 6.869 1.00 40.01 H new ATOM 0 HH22 ARG A 43 21.164 -33.696 5.228 1.00 40.01 H new ATOM 716 N VAL A 44 19.141 -28.804 12.922 1.00 0.10 N ATOM 717 CA VAL A 44 19.550 -27.607 13.667 1.00 25.41 C ATOM 718 C VAL A 44 20.743 -27.918 14.588 1.00 31.35 C ATOM 719 O VAL A 44 20.887 -29.047 15.068 1.00 51.21 O ATOM 720 CB VAL A 44 18.363 -27.044 14.497 1.00 33.35 C ATOM 721 CG1 VAL A 44 18.781 -25.833 15.333 1.00 1.44 C ATOM 722 CG2 VAL A 44 17.196 -26.683 13.574 1.00 11.40 C ATOM 0 H VAL A 44 18.962 -29.619 13.508 1.00 0.10 H new ATOM 0 HA VAL A 44 19.859 -26.851 12.945 1.00 25.41 H new ATOM 0 HB VAL A 44 18.041 -27.823 15.188 1.00 33.35 H new ATOM 0 HG11 VAL A 44 17.924 -25.468 15.899 1.00 1.44 H new ATOM 0 HG12 VAL A 44 19.574 -26.123 16.022 1.00 1.44 H new ATOM 0 HG13 VAL A 44 19.143 -25.044 14.674 1.00 1.44 H new ATOM 0 HG21 VAL A 44 16.371 -26.290 14.168 1.00 11.40 H new ATOM 0 HG22 VAL A 44 17.519 -25.928 12.857 1.00 11.40 H new ATOM 0 HG23 VAL A 44 16.866 -27.574 13.039 1.00 11.40 H new ATOM 732 N SER A 45 21.596 -26.915 14.817 1.00 35.42 N ATOM 733 CA SER A 45 22.812 -27.080 15.635 1.00 1.21 C ATOM 734 C SER A 45 22.510 -27.755 16.983 1.00 4.42 C ATOM 735 O SER A 45 21.504 -27.447 17.624 1.00 24.14 O ATOM 736 CB SER A 45 23.472 -25.717 15.888 1.00 22.22 C ATOM 737 OG SER A 45 23.728 -25.030 14.670 1.00 51.14 O ATOM 0 H SER A 45 21.470 -25.973 14.447 1.00 35.42 H new ATOM 0 HA SER A 45 23.491 -27.724 15.076 1.00 1.21 H new ATOM 0 HB2 SER A 45 22.825 -25.110 16.521 1.00 22.22 H new ATOM 0 HB3 SER A 45 24.407 -25.859 16.431 1.00 22.22 H new ATOM 0 HG SER A 45 24.147 -24.165 14.864 1.00 51.14 H new ATOM 743 N PRO A 46 23.389 -28.669 17.437 1.00 51.20 N ATOM 744 CA PRO A 46 23.180 -29.425 18.686 1.00 51.34 C ATOM 745 C PRO A 46 22.887 -28.527 19.901 1.00 41.24 C ATOM 746 O PRO A 46 23.595 -27.549 20.145 1.00 63.12 O ATOM 747 CB PRO A 46 24.513 -30.166 18.874 1.00 14.22 C ATOM 748 CG PRO A 46 25.079 -30.284 17.501 1.00 1.51 C ATOM 749 CD PRO A 46 24.657 -29.036 16.776 1.00 13.13 C ATOM 0 HA PRO A 46 22.310 -30.078 18.617 1.00 51.34 H new ATOM 0 HB2 PRO A 46 25.183 -29.613 19.532 1.00 14.22 H new ATOM 0 HB3 PRO A 46 24.360 -31.147 19.325 1.00 14.22 H new ATOM 0 HG2 PRO A 46 26.165 -30.370 17.532 1.00 1.51 H new ATOM 0 HG3 PRO A 46 24.703 -31.175 16.998 1.00 1.51 H new ATOM 0 HD2 PRO A 46 25.402 -28.246 16.869 1.00 13.13 H new ATOM 0 HD3 PRO A 46 24.517 -29.218 15.711 1.00 13.13 H new ATOM 757 N SER A 47 21.827 -28.852 20.648 1.00 61.45 N ATOM 758 CA SER A 47 21.511 -28.134 21.895 1.00 64.53 C ATOM 759 C SER A 47 22.702 -28.160 22.861 1.00 24.52 C ATOM 760 O SER A 47 23.011 -27.163 23.515 1.00 70.00 O ATOM 761 CB SER A 47 20.272 -28.738 22.572 1.00 70.40 C ATOM 762 OG SER A 47 19.118 -28.608 21.751 1.00 31.24 O ATOM 0 H SER A 47 21.175 -29.602 20.416 1.00 61.45 H new ATOM 0 HA SER A 47 21.298 -27.097 21.636 1.00 64.53 H new ATOM 0 HB2 SER A 47 20.450 -29.791 22.788 1.00 70.40 H new ATOM 0 HB3 SER A 47 20.099 -28.242 23.527 1.00 70.40 H new ATOM 0 HG SER A 47 19.325 -28.918 20.845 1.00 31.24 H new ATOM 768 N GLY A 48 23.370 -29.310 22.942 1.00 14.01 N ATOM 769 CA GLY A 48 24.605 -29.419 23.712 1.00 10.54 C ATOM 770 C GLY A 48 25.841 -29.164 22.853 1.00 43.13 C ATOM 771 O GLY A 48 25.745 -29.093 21.629 1.00 74.21 O ATOM 0 H GLY A 48 23.078 -30.174 22.486 1.00 14.01 H new ATOM 0 HA2 GLY A 48 24.583 -28.705 24.535 1.00 10.54 H new ATOM 0 HA3 GLY A 48 24.670 -30.413 24.154 1.00 10.54 H new ATOM 775 N GLU A 49 27.005 -29.037 23.482 1.00 13.42 N ATOM 776 CA GLU A 49 28.247 -28.746 22.751 1.00 51.45 C ATOM 777 C GLU A 49 28.663 -29.905 21.827 1.00 25.14 C ATOM 778 O GLU A 49 29.282 -29.692 20.782 1.00 64.32 O ATOM 779 CB GLU A 49 29.386 -28.452 23.734 1.00 12.44 C ATOM 780 CG GLU A 49 29.736 -29.629 24.636 1.00 30.55 C ATOM 781 CD GLU A 49 30.977 -29.379 25.474 1.00 63.13 C ATOM 782 OE1 GLU A 49 30.849 -28.804 26.573 1.00 32.21 O ATOM 783 OE2 GLU A 49 32.084 -29.762 25.038 1.00 4.14 O ATOM 0 H GLU A 49 27.121 -29.129 24.491 1.00 13.42 H new ATOM 0 HA GLU A 49 28.053 -27.871 22.131 1.00 51.45 H new ATOM 0 HB2 GLU A 49 30.273 -28.160 23.172 1.00 12.44 H new ATOM 0 HB3 GLU A 49 29.108 -27.600 24.355 1.00 12.44 H new ATOM 0 HG2 GLU A 49 28.894 -29.838 25.296 1.00 30.55 H new ATOM 0 HG3 GLU A 49 29.890 -30.517 24.023 1.00 30.55 H new ATOM 790 N LYS A 50 28.327 -31.133 22.217 1.00 24.22 N ATOM 791 CA LYS A 50 28.772 -32.319 21.477 1.00 0.01 C ATOM 792 C LYS A 50 27.681 -33.398 21.388 1.00 74.42 C ATOM 793 O LYS A 50 27.962 -34.593 21.476 1.00 34.21 O ATOM 794 CB LYS A 50 30.050 -32.873 22.130 1.00 23.21 C ATOM 795 CG LYS A 50 29.882 -33.291 23.592 1.00 25.43 C ATOM 796 CD LYS A 50 31.227 -33.384 24.313 1.00 75.20 C ATOM 797 CE LYS A 50 32.215 -34.294 23.588 1.00 33.23 C ATOM 798 NZ LYS A 50 33.552 -34.285 24.238 1.00 55.22 N ATOM 0 H LYS A 50 27.752 -31.335 23.035 1.00 24.22 H new ATOM 0 HA LYS A 50 28.987 -32.020 20.451 1.00 0.01 H new ATOM 0 HB2 LYS A 50 30.393 -33.734 21.556 1.00 23.21 H new ATOM 0 HB3 LYS A 50 30.832 -32.116 22.069 1.00 23.21 H new ATOM 0 HG2 LYS A 50 29.243 -32.572 24.105 1.00 25.43 H new ATOM 0 HG3 LYS A 50 29.377 -34.256 23.639 1.00 25.43 H new ATOM 0 HD2 LYS A 50 31.656 -32.386 24.405 1.00 75.20 H new ATOM 0 HD3 LYS A 50 31.069 -33.757 25.325 1.00 75.20 H new ATOM 0 HE2 LYS A 50 31.826 -35.312 23.570 1.00 33.23 H new ATOM 0 HE3 LYS A 50 32.313 -33.972 22.551 1.00 33.23 H new ATOM 0 HZ1 LYS A 50 34.195 -34.915 23.717 1.00 55.22 H new ATOM 0 HZ2 LYS A 50 33.934 -33.318 24.232 1.00 55.22 H new ATOM 0 HZ3 LYS A 50 33.463 -34.616 25.220 1.00 55.22 H new ATOM 812 N THR A 51 26.433 -32.972 21.187 1.00 61.44 N ATOM 813 CA THR A 51 25.329 -33.919 20.969 1.00 63.44 C ATOM 814 C THR A 51 25.497 -34.631 19.619 1.00 73.42 C ATOM 815 O THR A 51 25.944 -34.028 18.641 1.00 64.03 O ATOM 816 CB THR A 51 23.949 -33.219 20.999 1.00 0.15 C ATOM 817 OG1 THR A 51 23.864 -32.332 22.130 1.00 32.13 O ATOM 818 CG2 THR A 51 22.814 -34.240 21.070 1.00 62.02 C ATOM 0 H THR A 51 26.159 -31.990 21.170 1.00 61.44 H new ATOM 0 HA THR A 51 25.365 -34.643 21.783 1.00 63.44 H new ATOM 0 HB THR A 51 23.847 -32.647 20.077 1.00 0.15 H new ATOM 0 HG1 THR A 51 22.932 -32.270 22.428 1.00 32.13 H new ATOM 0 HG21 THR A 51 21.857 -33.719 21.090 1.00 62.02 H new ATOM 0 HG22 THR A 51 22.855 -34.891 20.197 1.00 62.02 H new ATOM 0 HG23 THR A 51 22.920 -34.839 21.974 1.00 62.02 H new ATOM 826 N LEU A 52 25.122 -35.902 19.565 1.00 72.12 N ATOM 827 CA LEU A 52 25.367 -36.735 18.383 1.00 13.11 C ATOM 828 C LEU A 52 24.497 -36.320 17.185 1.00 54.22 C ATOM 829 O LEU A 52 25.013 -35.924 16.143 1.00 43.51 O ATOM 830 CB LEU A 52 25.123 -38.208 18.723 1.00 4.44 C ATOM 831 CG LEU A 52 26.108 -38.831 19.734 1.00 62.00 C ATOM 832 CD1 LEU A 52 27.554 -38.622 19.286 1.00 44.12 C ATOM 833 CD2 LEU A 52 25.883 -38.273 21.141 1.00 64.24 C ATOM 0 H LEU A 52 24.645 -36.385 20.326 1.00 72.12 H new ATOM 0 HA LEU A 52 26.408 -36.590 18.093 1.00 13.11 H new ATOM 0 HB2 LEU A 52 24.112 -38.308 19.119 1.00 4.44 H new ATOM 0 HB3 LEU A 52 25.163 -38.787 17.800 1.00 4.44 H new ATOM 0 HG LEU A 52 25.917 -39.904 19.768 1.00 62.00 H new ATOM 0 HD11 LEU A 52 28.229 -39.070 20.015 1.00 44.12 H new ATOM 0 HD12 LEU A 52 27.705 -39.092 18.314 1.00 44.12 H new ATOM 0 HD13 LEU A 52 27.760 -37.554 19.209 1.00 44.12 H new ATOM 0 HD21 LEU A 52 26.592 -38.731 21.831 1.00 64.24 H new ATOM 0 HD22 LEU A 52 26.031 -37.193 21.132 1.00 64.24 H new ATOM 0 HD23 LEU A 52 24.866 -38.497 21.463 1.00 64.24 H new ATOM 845 N ARG A 53 23.180 -36.406 17.336 1.00 42.14 N ATOM 846 CA ARG A 53 22.255 -36.113 16.229 1.00 72.24 C ATOM 847 C ARG A 53 21.827 -34.640 16.201 1.00 54.35 C ATOM 848 O ARG A 53 20.935 -34.257 15.441 1.00 21.23 O ATOM 849 CB ARG A 53 21.026 -37.023 16.326 1.00 1.43 C ATOM 850 CG ARG A 53 21.380 -38.500 16.234 1.00 72.52 C ATOM 851 CD ARG A 53 20.152 -39.397 16.296 1.00 4.20 C ATOM 852 NE ARG A 53 20.516 -40.804 16.167 1.00 32.34 N ATOM 853 CZ ARG A 53 19.665 -41.778 16.013 1.00 34.44 C ATOM 854 NH1 ARG A 53 18.391 -41.554 15.983 1.00 43.12 N ATOM 855 NH2 ARG A 53 20.097 -42.988 15.887 1.00 75.41 N ATOM 0 H ARG A 53 22.723 -36.674 18.207 1.00 42.14 H new ATOM 0 HA ARG A 53 22.785 -36.309 15.297 1.00 72.24 H new ATOM 0 HB2 ARG A 53 20.513 -36.835 17.269 1.00 1.43 H new ATOM 0 HB3 ARG A 53 20.328 -36.770 15.528 1.00 1.43 H new ATOM 0 HG2 ARG A 53 21.915 -38.685 15.302 1.00 72.52 H new ATOM 0 HG3 ARG A 53 22.057 -38.760 17.047 1.00 72.52 H new ATOM 0 HD2 ARG A 53 19.631 -39.239 17.240 1.00 4.20 H new ATOM 0 HD3 ARG A 53 19.459 -39.124 15.500 1.00 4.20 H new ATOM 0 HE ARG A 53 21.507 -41.042 16.200 1.00 32.34 H new ATOM 0 HH11 ARG A 53 18.038 -40.602 16.081 1.00 43.12 H new ATOM 0 HH12 ARG A 53 17.740 -42.329 15.862 1.00 43.12 H new ATOM 0 HH21 ARG A 53 21.099 -43.177 15.908 1.00 75.41 H new ATOM 0 HH22 ARG A 53 19.436 -43.755 15.766 1.00 75.41 H new ATOM 869 N GLY A 54 22.476 -33.817 17.016 1.00 1.04 N ATOM 870 CA GLY A 54 22.155 -32.397 17.061 1.00 1.42 C ATOM 871 C GLY A 54 20.757 -32.109 17.603 1.00 0.22 C ATOM 872 O GLY A 54 20.344 -32.681 18.613 1.00 31.40 O ATOM 0 H GLY A 54 23.221 -34.106 17.649 1.00 1.04 H new ATOM 0 HA2 GLY A 54 22.890 -31.885 17.682 1.00 1.42 H new ATOM 0 HA3 GLY A 54 22.241 -31.981 16.057 1.00 1.42 H new ATOM 876 N THR A 55 20.033 -31.217 16.931 1.00 61.20 N ATOM 877 CA THR A 55 18.663 -30.864 17.327 1.00 35.43 C ATOM 878 C THR A 55 17.731 -30.842 16.106 1.00 55.24 C ATOM 879 O THR A 55 18.101 -30.349 15.042 1.00 1.21 O ATOM 880 CB THR A 55 18.618 -29.483 18.033 1.00 15.43 C ATOM 881 OG1 THR A 55 19.504 -29.482 19.166 1.00 63.41 O ATOM 882 CG2 THR A 55 17.205 -29.143 18.502 1.00 74.35 C ATOM 0 H THR A 55 20.370 -30.721 16.106 1.00 61.20 H new ATOM 0 HA THR A 55 18.322 -31.627 18.027 1.00 35.43 H new ATOM 0 HB THR A 55 18.934 -28.730 17.311 1.00 15.43 H new ATOM 0 HG1 THR A 55 19.811 -30.396 19.342 1.00 63.41 H new ATOM 0 HG21 THR A 55 17.209 -28.169 18.992 1.00 74.35 H new ATOM 0 HG22 THR A 55 16.534 -29.114 17.644 1.00 74.35 H new ATOM 0 HG23 THR A 55 16.863 -29.902 19.205 1.00 74.35 H new ATOM 890 N THR A 56 16.523 -31.385 16.256 1.00 75.13 N ATOM 891 CA THR A 56 15.566 -31.466 15.143 1.00 64.40 C ATOM 892 C THR A 56 14.236 -30.777 15.483 1.00 13.11 C ATOM 893 O THR A 56 13.557 -31.149 16.441 1.00 72.20 O ATOM 894 CB THR A 56 15.283 -32.941 14.748 1.00 63.22 C ATOM 895 OG1 THR A 56 16.510 -33.607 14.402 1.00 64.13 O ATOM 896 CG2 THR A 56 14.310 -33.020 13.571 1.00 64.43 C ATOM 0 H THR A 56 16.181 -31.776 17.134 1.00 75.13 H new ATOM 0 HA THR A 56 16.027 -30.948 14.302 1.00 64.40 H new ATOM 0 HB THR A 56 14.830 -33.435 15.607 1.00 63.22 H new ATOM 0 HG1 THR A 56 16.320 -34.536 14.156 1.00 64.13 H new ATOM 0 HG21 THR A 56 14.131 -34.065 13.317 1.00 64.43 H new ATOM 0 HG22 THR A 56 13.367 -32.546 13.846 1.00 64.43 H new ATOM 0 HG23 THR A 56 14.737 -32.505 12.710 1.00 64.43 H new ATOM 904 N TRP A 57 13.873 -29.769 14.690 1.00 74.11 N ATOM 905 CA TRP A 57 12.596 -29.059 14.861 1.00 44.35 C ATOM 906 C TRP A 57 11.628 -29.376 13.710 1.00 63.51 C ATOM 907 O TRP A 57 12.033 -29.458 12.548 1.00 64.14 O ATOM 908 CB TRP A 57 12.825 -27.542 14.933 1.00 50.42 C ATOM 909 CG TRP A 57 13.637 -27.105 16.119 1.00 65.11 C ATOM 910 CD1 TRP A 57 14.994 -27.123 16.232 1.00 2.21 C ATOM 911 CD2 TRP A 57 13.140 -26.581 17.358 1.00 71.55 C ATOM 912 NE1 TRP A 57 15.372 -26.640 17.460 1.00 52.54 N ATOM 913 CE2 TRP A 57 14.254 -26.303 18.170 1.00 5.44 C ATOM 914 CE3 TRP A 57 11.862 -26.318 17.858 1.00 22.13 C ATOM 915 CZ2 TRP A 57 14.130 -25.777 19.452 1.00 61.42 C ATOM 916 CZ3 TRP A 57 11.739 -25.796 19.133 1.00 71.14 C ATOM 917 CH2 TRP A 57 12.869 -25.532 19.918 1.00 25.14 C ATOM 0 H TRP A 57 14.444 -29.422 13.919 1.00 74.11 H new ATOM 0 HA TRP A 57 12.153 -29.401 15.797 1.00 44.35 H new ATOM 0 HB2 TRP A 57 13.327 -27.216 14.022 1.00 50.42 H new ATOM 0 HB3 TRP A 57 11.858 -27.039 14.962 1.00 50.42 H new ATOM 0 HD1 TRP A 57 15.674 -27.467 15.467 1.00 2.21 H new ATOM 0 HE1 TRP A 57 16.333 -26.547 17.790 1.00 52.54 H new ATOM 0 HE3 TRP A 57 10.986 -26.519 17.259 1.00 22.13 H new ATOM 0 HZ2 TRP A 57 15.000 -25.570 20.058 1.00 61.42 H new ATOM 0 HZ3 TRP A 57 10.756 -25.589 19.530 1.00 71.14 H new ATOM 0 HH2 TRP A 57 12.741 -25.127 20.911 1.00 25.14 H new ATOM 928 N TYR A 58 10.350 -29.545 14.039 1.00 61.13 N ATOM 929 CA TYR A 58 9.319 -29.844 13.039 1.00 74.30 C ATOM 930 C TYR A 58 8.533 -28.582 12.644 1.00 40.54 C ATOM 931 O TYR A 58 8.209 -27.746 13.494 1.00 21.24 O ATOM 932 CB TYR A 58 8.352 -30.903 13.583 1.00 1.30 C ATOM 933 CG TYR A 58 9.016 -32.225 13.936 1.00 52.11 C ATOM 934 CD1 TYR A 58 9.195 -33.215 12.973 1.00 70.31 C ATOM 935 CD2 TYR A 58 9.462 -32.485 15.230 1.00 2.14 C ATOM 936 CE1 TYR A 58 9.794 -34.420 13.289 1.00 13.15 C ATOM 937 CE2 TYR A 58 10.062 -33.690 15.551 1.00 21.52 C ATOM 938 CZ TYR A 58 10.224 -34.654 14.578 1.00 24.34 C ATOM 939 OH TYR A 58 10.819 -35.856 14.895 1.00 24.14 O ATOM 0 H TYR A 58 9.999 -29.480 14.994 1.00 61.13 H new ATOM 0 HA TYR A 58 9.820 -30.225 12.149 1.00 74.30 H new ATOM 0 HB2 TYR A 58 7.859 -30.508 14.471 1.00 1.30 H new ATOM 0 HB3 TYR A 58 7.575 -31.085 12.841 1.00 1.30 H new ATOM 0 HD1 TYR A 58 8.860 -33.038 11.962 1.00 70.31 H new ATOM 0 HD2 TYR A 58 9.337 -31.733 15.996 1.00 2.14 H new ATOM 0 HE1 TYR A 58 9.925 -35.176 12.529 1.00 13.15 H new ATOM 0 HE2 TYR A 58 10.402 -33.875 16.559 1.00 21.52 H new ATOM 0 HH TYR A 58 10.330 -36.279 15.632 1.00 24.14 H new ATOM 949 N ASN A 59 8.233 -28.453 11.350 1.00 53.14 N ATOM 950 CA ASN A 59 7.434 -27.333 10.839 1.00 72.40 C ATOM 951 C ASN A 59 5.929 -27.646 10.900 1.00 14.41 C ATOM 952 O ASN A 59 5.414 -28.420 10.087 1.00 71.55 O ATOM 953 CB ASN A 59 7.827 -27.013 9.390 1.00 33.25 C ATOM 954 CG ASN A 59 9.268 -26.558 9.254 1.00 3.55 C ATOM 955 OD1 ASN A 59 10.178 -27.360 9.100 1.00 71.11 O ATOM 956 ND2 ASN A 59 9.486 -25.260 9.300 1.00 52.15 N ATOM 0 H ASN A 59 8.532 -29.113 10.632 1.00 53.14 H new ATOM 0 HA ASN A 59 7.637 -26.469 11.472 1.00 72.40 H new ATOM 0 HB2 ASN A 59 7.671 -27.898 8.773 1.00 33.25 H new ATOM 0 HB3 ASN A 59 7.168 -26.235 9.004 1.00 33.25 H new ATOM 0 HD21 ASN A 59 10.435 -24.899 9.206 1.00 52.15 H new ATOM 0 HD22 ASN A 59 8.706 -24.616 9.430 1.00 52.15 H new ATOM 963 N TYR A 60 5.226 -27.034 11.859 1.00 4.23 N ATOM 964 CA TYR A 60 3.775 -27.248 12.021 1.00 31.33 C ATOM 965 C TYR A 60 2.984 -27.029 10.707 1.00 3.54 C ATOM 966 O TYR A 60 2.208 -27.898 10.310 1.00 31.13 O ATOM 967 CB TYR A 60 3.207 -26.355 13.142 1.00 2.21 C ATOM 968 CG TYR A 60 1.685 -26.340 13.200 1.00 14.11 C ATOM 969 CD1 TYR A 60 0.974 -27.410 13.738 1.00 14.11 C ATOM 970 CD2 TYR A 60 0.957 -25.261 12.697 1.00 10.34 C ATOM 971 CE1 TYR A 60 -0.408 -27.405 13.771 1.00 40.21 C ATOM 972 CE2 TYR A 60 -0.424 -25.250 12.732 1.00 33.03 C ATOM 973 CZ TYR A 60 -1.101 -26.323 13.266 1.00 44.14 C ATOM 974 OH TYR A 60 -2.476 -26.318 13.294 1.00 71.21 O ATOM 0 H TYR A 60 5.632 -26.388 12.535 1.00 4.23 H new ATOM 0 HA TYR A 60 3.649 -28.294 12.300 1.00 31.33 H new ATOM 0 HB2 TYR A 60 3.595 -26.699 14.101 1.00 2.21 H new ATOM 0 HB3 TYR A 60 3.567 -25.336 13.000 1.00 2.21 H new ATOM 0 HD1 TYR A 60 1.511 -28.258 14.136 1.00 14.11 H new ATOM 0 HD2 TYR A 60 1.483 -24.419 12.272 1.00 10.34 H new ATOM 0 HE1 TYR A 60 -0.943 -28.244 14.190 1.00 40.21 H new ATOM 0 HE2 TYR A 60 -0.970 -24.404 12.342 1.00 33.03 H new ATOM 0 HH TYR A 60 -2.808 -25.484 12.901 1.00 71.21 H new ATOM 984 N PRO A 61 3.151 -25.879 10.007 1.00 45.12 N ATOM 985 CA PRO A 61 2.410 -25.612 8.755 1.00 42.34 C ATOM 986 C PRO A 61 2.690 -26.657 7.660 1.00 31.13 C ATOM 987 O PRO A 61 1.836 -26.945 6.821 1.00 31.30 O ATOM 988 CB PRO A 61 2.913 -24.222 8.325 1.00 23.24 C ATOM 989 CG PRO A 61 4.205 -24.033 9.051 1.00 60.24 C ATOM 990 CD PRO A 61 4.045 -24.757 10.358 1.00 15.11 C ATOM 0 HA PRO A 61 1.332 -25.658 8.909 1.00 42.34 H new ATOM 0 HB2 PRO A 61 3.056 -24.171 7.246 1.00 23.24 H new ATOM 0 HB3 PRO A 61 2.196 -23.445 8.588 1.00 23.24 H new ATOM 0 HG2 PRO A 61 5.039 -24.438 8.478 1.00 60.24 H new ATOM 0 HG3 PRO A 61 4.413 -22.975 9.212 1.00 60.24 H new ATOM 0 HD2 PRO A 61 5.002 -25.109 10.745 1.00 15.11 H new ATOM 0 HD3 PRO A 61 3.608 -24.116 11.124 1.00 15.11 H new ATOM 998 N GLU A 62 3.889 -27.232 7.690 1.00 24.24 N ATOM 999 CA GLU A 62 4.298 -28.231 6.698 1.00 22.20 C ATOM 1000 C GLU A 62 3.729 -29.620 7.011 1.00 4.10 C ATOM 1001 O GLU A 62 3.346 -30.361 6.106 1.00 23.24 O ATOM 1002 CB GLU A 62 5.823 -28.290 6.619 1.00 61.00 C ATOM 1003 CG GLU A 62 6.446 -27.078 5.937 1.00 71.14 C ATOM 1004 CD GLU A 62 5.987 -26.936 4.495 1.00 2.04 C ATOM 1005 OE1 GLU A 62 6.087 -27.925 3.739 1.00 3.12 O ATOM 1006 OE2 GLU A 62 5.521 -25.844 4.110 1.00 30.14 O ATOM 0 H GLU A 62 4.599 -27.024 8.392 1.00 24.24 H new ATOM 0 HA GLU A 62 3.893 -27.925 5.733 1.00 22.20 H new ATOM 0 HB2 GLU A 62 6.228 -28.377 7.627 1.00 61.00 H new ATOM 0 HB3 GLU A 62 6.116 -29.191 6.079 1.00 61.00 H new ATOM 0 HG2 GLU A 62 6.184 -26.176 6.491 1.00 71.14 H new ATOM 0 HG3 GLU A 62 7.532 -27.165 5.965 1.00 71.14 H new ATOM 1013 N ILE A 63 3.698 -29.980 8.288 1.00 53.41 N ATOM 1014 CA ILE A 63 3.070 -31.233 8.710 1.00 51.35 C ATOM 1015 C ILE A 63 1.539 -31.133 8.588 1.00 64.33 C ATOM 1016 O ILE A 63 0.873 -32.098 8.216 1.00 1.21 O ATOM 1017 CB ILE A 63 3.489 -31.615 10.155 1.00 4.33 C ATOM 1018 CG1 ILE A 63 5.017 -31.807 10.218 1.00 12.44 C ATOM 1019 CG2 ILE A 63 2.766 -32.882 10.622 1.00 23.51 C ATOM 1020 CD1 ILE A 63 5.539 -32.201 11.583 1.00 2.23 C ATOM 0 H ILE A 63 4.097 -29.428 9.048 1.00 53.41 H new ATOM 0 HA ILE A 63 3.418 -32.026 8.048 1.00 51.35 H new ATOM 0 HB ILE A 63 3.203 -30.805 10.826 1.00 4.33 H new ATOM 0 HG12 ILE A 63 5.305 -32.572 9.497 1.00 12.44 H new ATOM 0 HG13 ILE A 63 5.501 -30.880 9.910 1.00 12.44 H new ATOM 0 HG21 ILE A 63 3.079 -33.126 11.637 1.00 23.51 H new ATOM 0 HG22 ILE A 63 1.689 -32.714 10.604 1.00 23.51 H new ATOM 0 HG23 ILE A 63 3.015 -33.709 9.957 1.00 23.51 H new ATOM 0 HD11 ILE A 63 6.622 -32.316 11.539 1.00 2.23 H new ATOM 0 HD12 ILE A 63 5.285 -31.427 12.307 1.00 2.23 H new ATOM 0 HD13 ILE A 63 5.086 -33.145 11.887 1.00 2.23 H new ATOM 1032 N ASN A 64 0.992 -29.949 8.868 1.00 72.34 N ATOM 1033 CA ASN A 64 -0.432 -29.681 8.640 1.00 23.42 C ATOM 1034 C ASN A 64 -0.774 -29.835 7.148 1.00 50.42 C ATOM 1035 O ASN A 64 -1.834 -30.346 6.796 1.00 12.24 O ATOM 1036 CB ASN A 64 -0.797 -28.270 9.129 1.00 14.01 C ATOM 1037 CG ASN A 64 -2.244 -27.901 8.837 1.00 71.11 C ATOM 1038 OD1 ASN A 64 -2.552 -27.322 7.799 1.00 72.43 O ATOM 1039 ND2 ASN A 64 -3.143 -28.228 9.742 1.00 33.32 N ATOM 0 H ASN A 64 1.511 -29.160 9.253 1.00 72.34 H new ATOM 0 HA ASN A 64 -1.016 -30.406 9.207 1.00 23.42 H new ATOM 0 HB2 ASN A 64 -0.620 -28.205 10.203 1.00 14.01 H new ATOM 0 HB3 ASN A 64 -0.138 -27.544 8.653 1.00 14.01 H new ATOM 0 HD21 ASN A 64 -4.126 -28.001 9.590 1.00 33.32 H new ATOM 0 HD22 ASN A 64 -2.857 -28.709 10.595 1.00 33.32 H new ATOM 1046 N LYS A 65 0.144 -29.395 6.283 1.00 31.12 N ATOM 1047 CA LYS A 65 0.015 -29.580 4.831 1.00 43.03 C ATOM 1048 C LYS A 65 -0.214 -31.064 4.482 1.00 1.43 C ATOM 1049 O LYS A 65 -0.946 -31.391 3.550 1.00 55.41 O ATOM 1050 CB LYS A 65 1.282 -29.063 4.133 1.00 12.31 C ATOM 1051 CG LYS A 65 1.257 -29.163 2.608 1.00 43.55 C ATOM 1052 CD LYS A 65 2.598 -28.757 1.992 1.00 25.51 C ATOM 1053 CE LYS A 65 2.955 -27.306 2.302 1.00 32.55 C ATOM 1054 NZ LYS A 65 4.316 -26.954 1.817 1.00 40.42 N ATOM 0 H LYS A 65 0.992 -28.904 6.564 1.00 31.12 H new ATOM 0 HA LYS A 65 -0.849 -29.014 4.483 1.00 43.03 H new ATOM 0 HB2 LYS A 65 1.435 -28.021 4.413 1.00 12.31 H new ATOM 0 HB3 LYS A 65 2.140 -29.622 4.506 1.00 12.31 H new ATOM 0 HG2 LYS A 65 1.016 -30.185 2.314 1.00 43.55 H new ATOM 0 HG3 LYS A 65 0.467 -28.523 2.214 1.00 43.55 H new ATOM 0 HD2 LYS A 65 3.383 -29.412 2.370 1.00 25.51 H new ATOM 0 HD3 LYS A 65 2.558 -28.897 0.912 1.00 25.51 H new ATOM 0 HE2 LYS A 65 2.222 -26.645 1.839 1.00 32.55 H new ATOM 0 HE3 LYS A 65 2.899 -27.140 3.378 1.00 32.55 H new ATOM 0 HZ1 LYS A 65 4.534 -25.971 2.077 1.00 40.42 H new ATOM 0 HZ2 LYS A 65 5.015 -27.590 2.252 1.00 40.42 H new ATOM 0 HZ3 LYS A 65 4.353 -27.055 0.783 1.00 40.42 H new ATOM 1068 N PHE A 66 0.420 -31.951 5.246 1.00 4.01 N ATOM 1069 CA PHE A 66 0.239 -33.398 5.083 1.00 42.45 C ATOM 1070 C PHE A 66 -1.077 -33.870 5.729 1.00 42.03 C ATOM 1071 O PHE A 66 -1.891 -34.543 5.091 1.00 23.21 O ATOM 1072 CB PHE A 66 1.436 -34.141 5.702 1.00 42.31 C ATOM 1073 CG PHE A 66 1.287 -35.646 5.748 1.00 22.32 C ATOM 1074 CD1 PHE A 66 1.507 -36.417 4.616 1.00 24.43 C ATOM 1075 CD2 PHE A 66 0.934 -36.287 6.930 1.00 31.42 C ATOM 1076 CE1 PHE A 66 1.375 -37.793 4.660 1.00 31.02 C ATOM 1077 CE2 PHE A 66 0.803 -37.661 6.978 1.00 22.22 C ATOM 1078 CZ PHE A 66 1.023 -38.415 5.842 1.00 33.54 C ATOM 0 H PHE A 66 1.069 -31.694 5.990 1.00 4.01 H new ATOM 0 HA PHE A 66 0.186 -33.623 4.018 1.00 42.45 H new ATOM 0 HB2 PHE A 66 2.333 -33.895 5.134 1.00 42.31 H new ATOM 0 HB3 PHE A 66 1.590 -33.773 6.716 1.00 42.31 H new ATOM 0 HD1 PHE A 66 1.785 -35.937 3.689 1.00 24.43 H new ATOM 0 HD2 PHE A 66 0.760 -35.703 7.822 1.00 31.42 H new ATOM 0 HE1 PHE A 66 1.547 -38.381 3.771 1.00 31.02 H new ATOM 0 HE2 PHE A 66 0.529 -38.146 7.903 1.00 22.22 H new ATOM 0 HZ PHE A 66 0.920 -39.489 5.878 1.00 33.54 H new ATOM 1088 N ILE A 67 -1.284 -33.490 6.989 1.00 72.52 N ATOM 1089 CA ILE A 67 -2.441 -33.947 7.772 1.00 23.43 C ATOM 1090 C ILE A 67 -3.775 -33.382 7.238 1.00 64.44 C ATOM 1091 O ILE A 67 -4.837 -33.957 7.480 1.00 34.32 O ATOM 1092 CB ILE A 67 -2.279 -33.557 9.267 1.00 55.31 C ATOM 1093 CG1 ILE A 67 -0.924 -34.048 9.810 1.00 52.45 C ATOM 1094 CG2 ILE A 67 -3.421 -34.128 10.112 1.00 62.42 C ATOM 1095 CD1 ILE A 67 -0.630 -33.584 11.222 1.00 2.23 C ATOM 0 H ILE A 67 -0.662 -32.861 7.497 1.00 72.52 H new ATOM 0 HA ILE A 67 -2.473 -35.032 7.674 1.00 23.43 H new ATOM 0 HB ILE A 67 -2.313 -32.470 9.334 1.00 55.31 H new ATOM 0 HG12 ILE A 67 -0.905 -35.138 9.784 1.00 52.45 H new ATOM 0 HG13 ILE A 67 -0.130 -33.699 9.150 1.00 52.45 H new ATOM 0 HG21 ILE A 67 -3.282 -33.840 11.154 1.00 62.42 H new ATOM 0 HG22 ILE A 67 -4.372 -33.736 9.751 1.00 62.42 H new ATOM 0 HG23 ILE A 67 -3.423 -35.215 10.034 1.00 62.42 H new ATOM 0 HD11 ILE A 67 0.340 -33.968 11.537 1.00 2.23 H new ATOM 0 HD12 ILE A 67 -0.616 -32.494 11.251 1.00 2.23 H new ATOM 0 HD13 ILE A 67 -1.403 -33.955 11.895 1.00 2.23 H new ATOM 1107 N ARG A 68 -3.721 -32.266 6.502 1.00 41.03 N ATOM 1108 CA ARG A 68 -4.940 -31.626 5.976 1.00 24.44 C ATOM 1109 C ARG A 68 -5.807 -32.628 5.188 1.00 44.11 C ATOM 1110 O ARG A 68 -7.038 -32.545 5.195 1.00 43.25 O ATOM 1111 CB ARG A 68 -4.590 -30.418 5.085 1.00 14.24 C ATOM 1112 CG ARG A 68 -4.081 -30.784 3.691 1.00 64.41 C ATOM 1113 CD ARG A 68 -3.726 -29.547 2.867 1.00 41.22 C ATOM 1114 NE ARG A 68 -3.531 -29.870 1.452 1.00 24.04 N ATOM 1115 CZ ARG A 68 -2.756 -29.208 0.634 1.00 72.52 C ATOM 1116 NH1 ARG A 68 -2.045 -28.208 1.042 1.00 13.53 N ATOM 1117 NH2 ARG A 68 -2.691 -29.558 -0.610 1.00 35.14 N ATOM 0 H ARG A 68 -2.854 -31.787 6.256 1.00 41.03 H new ATOM 0 HA ARG A 68 -5.515 -31.275 6.833 1.00 24.44 H new ATOM 0 HB2 ARG A 68 -5.475 -29.791 4.981 1.00 14.24 H new ATOM 0 HB3 ARG A 68 -3.832 -29.819 5.589 1.00 14.24 H new ATOM 0 HG2 ARG A 68 -3.203 -31.423 3.782 1.00 64.41 H new ATOM 0 HG3 ARG A 68 -4.843 -31.362 3.167 1.00 64.41 H new ATOM 0 HD2 ARG A 68 -4.520 -28.806 2.964 1.00 41.22 H new ATOM 0 HD3 ARG A 68 -2.817 -29.095 3.265 1.00 41.22 H new ATOM 0 HE ARG A 68 -4.038 -30.672 1.077 1.00 24.04 H new ATOM 0 HH11 ARG A 68 -2.082 -27.921 2.020 1.00 13.53 H new ATOM 0 HH12 ARG A 68 -1.447 -27.706 0.386 1.00 13.53 H new ATOM 0 HH21 ARG A 68 -3.243 -30.347 -0.947 1.00 35.14 H new ATOM 0 HH22 ARG A 68 -2.088 -29.045 -1.253 1.00 35.14 H new ATOM 1131 N ASP A 69 -5.154 -33.584 4.524 1.00 61.03 N ATOM 1132 CA ASP A 69 -5.855 -34.638 3.786 1.00 75.41 C ATOM 1133 C ASP A 69 -6.620 -35.565 4.746 1.00 71.24 C ATOM 1134 O ASP A 69 -7.689 -36.078 4.417 1.00 25.32 O ATOM 1135 CB ASP A 69 -4.857 -35.449 2.951 1.00 33.14 C ATOM 1136 CG ASP A 69 -5.546 -36.465 2.056 1.00 50.03 C ATOM 1137 OD1 ASP A 69 -6.055 -36.065 0.986 1.00 2.43 O ATOM 1138 OD2 ASP A 69 -5.605 -37.658 2.422 1.00 72.21 O ATOM 0 H ASP A 69 -4.137 -33.650 4.482 1.00 61.03 H new ATOM 0 HA ASP A 69 -6.577 -34.167 3.119 1.00 75.41 H new ATOM 0 HB2 ASP A 69 -4.264 -34.771 2.337 1.00 33.14 H new ATOM 0 HB3 ASP A 69 -4.164 -35.965 3.616 1.00 33.14 H new ATOM 1143 N SER A 70 -6.060 -35.772 5.937 1.00 72.13 N ATOM 1144 CA SER A 70 -6.696 -36.606 6.968 1.00 34.33 C ATOM 1145 C SER A 70 -7.851 -35.864 7.654 1.00 30.41 C ATOM 1146 O SER A 70 -8.767 -36.485 8.198 1.00 60.35 O ATOM 1147 CB SER A 70 -5.661 -37.052 8.010 1.00 75.41 C ATOM 1148 OG SER A 70 -4.614 -37.807 7.408 1.00 45.05 O ATOM 0 H SER A 70 -5.164 -35.374 6.217 1.00 72.13 H new ATOM 0 HA SER A 70 -7.107 -37.487 6.475 1.00 34.33 H new ATOM 0 HB2 SER A 70 -5.242 -36.177 8.507 1.00 75.41 H new ATOM 0 HB3 SER A 70 -6.150 -37.652 8.778 1.00 75.41 H new ATOM 0 HG SER A 70 -3.969 -38.076 8.094 1.00 45.05 H new ATOM 1154 N LEU A 71 -7.800 -34.532 7.641 1.00 34.21 N ATOM 1155 CA LEU A 71 -8.929 -33.718 8.108 1.00 62.13 C ATOM 1156 C LEU A 71 -10.124 -33.860 7.157 1.00 12.13 C ATOM 1157 O LEU A 71 -11.278 -33.842 7.591 1.00 21.21 O ATOM 1158 CB LEU A 71 -8.538 -32.230 8.240 1.00 4.43 C ATOM 1159 CG LEU A 71 -7.861 -31.830 9.564 1.00 31.45 C ATOM 1160 CD1 LEU A 71 -8.790 -32.090 10.749 1.00 35.12 C ATOM 1161 CD2 LEU A 71 -6.539 -32.564 9.745 1.00 30.22 C ATOM 0 H LEU A 71 -6.997 -33.994 7.315 1.00 34.21 H new ATOM 0 HA LEU A 71 -9.210 -34.085 9.095 1.00 62.13 H new ATOM 0 HB2 LEU A 71 -7.867 -31.976 7.419 1.00 4.43 H new ATOM 0 HB3 LEU A 71 -9.436 -31.625 8.116 1.00 4.43 H new ATOM 0 HG LEU A 71 -7.651 -30.761 9.523 1.00 31.45 H new ATOM 0 HD11 LEU A 71 -8.291 -31.800 11.673 1.00 35.12 H new ATOM 0 HD12 LEU A 71 -9.703 -31.506 10.631 1.00 35.12 H new ATOM 0 HD13 LEU A 71 -9.041 -33.150 10.789 1.00 35.12 H new ATOM 0 HD21 LEU A 71 -6.082 -32.263 10.688 1.00 30.22 H new ATOM 0 HD22 LEU A 71 -6.718 -33.639 9.755 1.00 30.22 H new ATOM 0 HD23 LEU A 71 -5.869 -32.316 8.922 1.00 30.22 H new ATOM 1173 N GLU A 72 -9.835 -34.004 5.856 1.00 30.34 N ATOM 1174 CA GLU A 72 -10.884 -34.170 4.838 1.00 52.23 C ATOM 1175 C GLU A 72 -11.911 -33.029 4.929 1.00 3.33 C ATOM 1176 O GLU A 72 -13.108 -33.237 4.726 1.00 2.44 O ATOM 1177 CB GLU A 72 -11.569 -35.540 5.014 1.00 41.13 C ATOM 1178 CG GLU A 72 -10.618 -36.726 4.865 1.00 12.32 C ATOM 1179 CD GLU A 72 -11.254 -38.052 5.256 1.00 44.11 C ATOM 1180 OE1 GLU A 72 -12.046 -38.596 4.460 1.00 21.22 O ATOM 1181 OE2 GLU A 72 -10.972 -38.549 6.370 1.00 2.20 O ATOM 0 H GLU A 72 -8.885 -34.009 5.483 1.00 30.34 H new ATOM 0 HA GLU A 72 -10.428 -34.131 3.849 1.00 52.23 H new ATOM 0 HB2 GLU A 72 -12.034 -35.580 5.999 1.00 41.13 H new ATOM 0 HB3 GLU A 72 -12.369 -35.633 4.280 1.00 41.13 H new ATOM 0 HG2 GLU A 72 -10.278 -36.784 3.831 1.00 12.32 H new ATOM 0 HG3 GLU A 72 -9.736 -36.557 5.482 1.00 12.32 H new ATOM 1188 N HIS A 73 -11.408 -31.818 5.209 1.00 14.11 N ATOM 1189 CA HIS A 73 -12.256 -30.646 5.489 1.00 70.05 C ATOM 1190 C HIS A 73 -13.433 -30.507 4.508 1.00 15.10 C ATOM 1191 O HIS A 73 -13.252 -30.454 3.286 1.00 63.21 O ATOM 1192 CB HIS A 73 -11.418 -29.355 5.512 1.00 71.32 C ATOM 1193 CG HIS A 73 -10.617 -29.106 4.267 1.00 11.35 C ATOM 1194 ND1 HIS A 73 -11.057 -28.316 3.225 1.00 43.02 N ATOM 1195 CD2 HIS A 73 -9.380 -29.526 3.915 1.00 73.31 C ATOM 1196 CE1 HIS A 73 -10.130 -28.265 2.290 1.00 14.15 C ATOM 1197 NE2 HIS A 73 -9.100 -28.988 2.682 1.00 54.43 N ATOM 0 H HIS A 73 -10.408 -31.622 5.248 1.00 14.11 H new ATOM 0 HA HIS A 73 -12.687 -30.808 6.477 1.00 70.05 H new ATOM 0 HB2 HIS A 73 -12.085 -28.508 5.675 1.00 71.32 H new ATOM 0 HB3 HIS A 73 -10.739 -29.394 6.363 1.00 71.32 H new ATOM 0 HD2 HIS A 73 -8.732 -30.166 4.496 1.00 73.31 H new ATOM 0 HE1 HIS A 73 -10.202 -27.722 1.359 1.00 14.15 H new ATOM 0 HE2 HIS A 73 -8.237 -29.126 2.156 1.00 54.43 H new ATOM 1206 N HIS A 74 -14.637 -30.451 5.075 1.00 21.52 N ATOM 1207 CA HIS A 74 -15.882 -30.380 4.308 1.00 33.35 C ATOM 1208 C HIS A 74 -15.900 -29.191 3.337 1.00 61.11 C ATOM 1209 O HIS A 74 -15.665 -28.047 3.731 1.00 25.42 O ATOM 1210 CB HIS A 74 -17.073 -30.282 5.274 1.00 34.42 C ATOM 1211 CG HIS A 74 -18.405 -30.121 4.600 1.00 54.53 C ATOM 1212 ND1 HIS A 74 -19.142 -28.959 4.653 1.00 65.53 N ATOM 1213 CD2 HIS A 74 -19.139 -30.990 3.864 1.00 40.43 C ATOM 1214 CE1 HIS A 74 -20.266 -29.118 3.987 1.00 63.33 C ATOM 1215 NE2 HIS A 74 -20.294 -30.342 3.497 1.00 15.54 N ATOM 0 H HIS A 74 -14.778 -30.454 6.085 1.00 21.52 H new ATOM 0 HA HIS A 74 -15.955 -31.288 3.710 1.00 33.35 H new ATOM 0 HB2 HIS A 74 -17.098 -31.179 5.893 1.00 34.42 H new ATOM 0 HB3 HIS A 74 -16.914 -29.437 5.944 1.00 34.42 H new ATOM 0 HD2 HIS A 74 -18.867 -32.004 3.612 1.00 40.43 H new ATOM 0 HE1 HIS A 74 -21.036 -28.371 3.863 1.00 63.33 H new ATOM 0 HE2 HIS A 74 -21.048 -30.742 2.938 1.00 15.54 H new ATOM 1224 N HIS A 75 -16.193 -29.473 2.070 1.00 40.42 N ATOM 1225 CA HIS A 75 -16.321 -28.430 1.054 1.00 0.21 C ATOM 1226 C HIS A 75 -17.615 -27.626 1.241 1.00 14.13 C ATOM 1227 O HIS A 75 -18.707 -28.123 0.963 1.00 40.02 O ATOM 1228 CB HIS A 75 -16.306 -29.048 -0.353 1.00 5.53 C ATOM 1229 CG HIS A 75 -14.970 -29.584 -0.785 1.00 21.11 C ATOM 1230 ND1 HIS A 75 -14.241 -29.038 -1.822 1.00 12.34 N ATOM 1231 CD2 HIS A 75 -14.234 -30.628 -0.327 1.00 22.04 C ATOM 1232 CE1 HIS A 75 -13.125 -29.717 -1.984 1.00 55.32 C ATOM 1233 NE2 HIS A 75 -13.094 -30.684 -1.090 1.00 24.22 N ATOM 0 H HIS A 75 -16.347 -30.419 1.721 1.00 40.42 H new ATOM 0 HA HIS A 75 -15.472 -27.756 1.166 1.00 0.21 H new ATOM 0 HB2 HIS A 75 -17.036 -29.856 -0.389 1.00 5.53 H new ATOM 0 HB3 HIS A 75 -16.630 -28.294 -1.071 1.00 5.53 H new ATOM 0 HD1 HIS A 75 -14.524 -28.231 -2.378 1.00 12.34 H new ATOM 0 HD2 HIS A 75 -14.496 -31.290 0.485 1.00 22.04 H new ATOM 0 HE1 HIS A 75 -12.364 -29.516 -2.724 1.00 55.32 H new ATOM 1242 N HIS A 76 -17.496 -26.393 1.728 1.00 71.12 N ATOM 1243 CA HIS A 76 -18.644 -25.479 1.770 1.00 51.43 C ATOM 1244 C HIS A 76 -19.018 -25.054 0.340 1.00 53.45 C ATOM 1245 O HIS A 76 -20.172 -24.746 0.038 1.00 71.12 O ATOM 1246 CB HIS A 76 -18.322 -24.250 2.628 1.00 33.04 C ATOM 1247 CG HIS A 76 -19.474 -23.303 2.785 1.00 50.54 C ATOM 1248 ND1 HIS A 76 -20.334 -23.344 3.858 1.00 1.32 N ATOM 1249 CD2 HIS A 76 -19.904 -22.281 2.005 1.00 13.22 C ATOM 1250 CE1 HIS A 76 -21.239 -22.398 3.735 1.00 11.40 C ATOM 1251 NE2 HIS A 76 -21.002 -21.737 2.622 1.00 30.54 N ATOM 0 H HIS A 76 -16.628 -26.003 2.096 1.00 71.12 H new ATOM 0 HA HIS A 76 -19.492 -25.994 2.221 1.00 51.43 H new ATOM 0 HB2 HIS A 76 -17.999 -24.582 3.615 1.00 33.04 H new ATOM 0 HB3 HIS A 76 -17.483 -23.716 2.181 1.00 33.04 H new ATOM 0 HD2 HIS A 76 -19.465 -21.956 1.073 1.00 13.22 H new ATOM 0 HE1 HIS A 76 -22.041 -22.197 4.430 1.00 11.40 H new ATOM 0 HE2 HIS A 76 -21.547 -20.948 2.274 1.00 30.54 H new ATOM 1260 N HIS A 77 -18.006 -25.030 -0.522 1.00 40.15 N ATOM 1261 CA HIS A 77 -18.185 -24.792 -1.957 1.00 54.21 C ATOM 1262 C HIS A 77 -17.391 -25.834 -2.757 1.00 61.33 C ATOM 1263 O HIS A 77 -16.527 -26.515 -2.198 1.00 51.11 O ATOM 1264 CB HIS A 77 -17.734 -23.371 -2.335 1.00 75.32 C ATOM 1265 CG HIS A 77 -16.280 -23.102 -2.081 1.00 10.43 C ATOM 1266 ND1 HIS A 77 -15.815 -22.476 -0.944 1.00 14.12 N ATOM 1267 CD2 HIS A 77 -15.181 -23.366 -2.830 1.00 32.42 C ATOM 1268 CE1 HIS A 77 -14.504 -22.364 -1.006 1.00 54.41 C ATOM 1269 NE2 HIS A 77 -14.094 -22.896 -2.137 1.00 63.31 N ATOM 0 H HIS A 77 -17.034 -25.175 -0.248 1.00 40.15 H new ATOM 0 HA HIS A 77 -19.244 -24.886 -2.198 1.00 54.21 H new ATOM 0 HB2 HIS A 77 -17.944 -23.204 -3.391 1.00 75.32 H new ATOM 0 HB3 HIS A 77 -18.329 -22.651 -1.773 1.00 75.32 H new ATOM 0 HD2 HIS A 77 -15.164 -23.855 -3.793 1.00 32.42 H new ATOM 0 HE1 HIS A 77 -13.873 -21.912 -0.255 1.00 54.41 H new ATOM 0 HE2 HIS A 77 -13.124 -22.950 -2.449 1.00 63.31 H new ATOM 1278 N HIS A 78 -17.672 -25.951 -4.053 1.00 44.14 N ATOM 1279 CA HIS A 78 -16.985 -26.930 -4.914 1.00 20.41 C ATOM 1280 C HIS A 78 -15.444 -26.779 -4.855 1.00 42.04 C ATOM 1281 O HIS A 78 -14.912 -25.827 -5.466 1.00 37.06 O ATOM 1282 CB HIS A 78 -17.473 -26.793 -6.366 1.00 30.01 C ATOM 1283 CG HIS A 78 -16.828 -27.762 -7.311 1.00 74.40 C ATOM 1284 ND1 HIS A 78 -15.544 -27.600 -7.783 1.00 30.32 N ATOM 1285 CD2 HIS A 78 -17.282 -28.916 -7.858 1.00 74.51 C ATOM 1286 CE1 HIS A 78 -15.236 -28.604 -8.578 1.00 12.42 C ATOM 1287 NE2 HIS A 78 -16.271 -29.417 -8.641 1.00 55.02 N ATOM 1288 OXT HIS A 78 -14.777 -27.631 -4.221 1.00 37.06 O ATOM 0 H HIS A 78 -18.369 -25.384 -4.536 1.00 44.14 H new ATOM 0 HA HIS A 78 -17.231 -27.923 -4.538 1.00 20.41 H new ATOM 0 HB2 HIS A 78 -18.553 -26.937 -6.392 1.00 30.01 H new ATOM 0 HB3 HIS A 78 -17.278 -25.778 -6.711 1.00 30.01 H new ATOM 0 HD1 HIS A 78 -14.926 -26.822 -7.552 1.00 30.32 H new ATOM 0 HD2 HIS A 78 -18.256 -29.358 -7.707 1.00 74.51 H new ATOM 0 HE1 HIS A 78 -14.295 -28.738 -9.091 1.00 12.42 H new TER 1297 HIS A 78