USER MOD reduce.3.24.130724 H: found=0, std=0, add=1081, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1083 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 137 HIS : no HE2:sc= -0.463 X(o=-0.46,f=-0.24) USER MOD Set 1.2: A 141 ASN : amide:sc= 0 K(o=-0.46,f=-0.99) USER MOD Set 2.1: A 34 SER OG : rot -49:sc= 0.65 USER MOD Set 2.2: A 35 HIS : no HD1:sc= -0.779 X(o=-0.13,f=0.18) USER MOD Set 3.1: A 29 LYS NZ :NH3+ -154:sc= 0.266 (180deg=-0.306) USER MOD Set 3.2: A 33 ASN :FLIP amide:sc= -3.81! F(o=-5.9,f=-3.5!) USER MOD Set 3.3: A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc= -4.82 F(o=-6.7!,f=-4.8) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.3 K(o=-0.3,f=-1.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= -1.32 USER MOD Single : A 16 ASN : amide:sc=-0.00444 X(o=-0.0044,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= -0.699 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.291 USER MOD Single : A 26 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.86 K(o=-0.86,f=-5.8!) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 0.843 (180deg=0.813) USER MOD Single : A 44 THR OG1 : rot 142:sc= 0.618 USER MOD Single : A 46 SER OG : rot 91:sc= 0.637 USER MOD Single : A 47 SER OG : rot -63:sc= 0.617 USER MOD Single : A 48 TYR OH : rot 30:sc= -0.208 USER MOD Single : A 50 HIS : no HE2:sc= -4.19 K(o=-4.2,f=-4.8!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0128 USER MOD Single : A 54 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.4!) USER MOD Single : A 56 TYR OH : rot -157:sc= 1.25 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0.304 K(o=0.3,f=-5.6!) USER MOD Single : A 83 SER OG : rot 180:sc= 0.347 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= -1.33 K(o=-1.3,f=-6.8!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.883 K(o=-0.88,f=-2.4) USER MOD Single : A 93 TYR OH : rot 60:sc= -0.217 USER MOD Single : A 104 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.8) USER MOD Single : A 106 TYR OH : rot 110:sc= -1.36 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -108:sc= -0.375 (180deg=-1.99!) USER MOD Single : A 116 ASN : amide:sc= -0.927 X(o=-0.93,f=-1) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 TYR OH : rot -7:sc= 0.0485 USER MOD Single : A 128 ASN : amide:sc= -0.344 K(o=-0.34,f=-2.1) USER MOD Single : A 129 LYS NZ :NH3+ 158:sc= -1.44! (180deg=-2.99!) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 LYS NZ :NH3+ -171:sc=-0.00305 (180deg=-0.145) USER MOD Single : A 149 SER OG : rot 180:sc= 0 USER MOD Single : A 150 HIS :FLIP no HE2:sc= 0.0357 F(o=-0.62,f=0.036) USER MOD ----------------------------------------------------------------- ATOM 11 N VAL A 2 3.666 -7.890 -15.201 1.00 0.00 N ATOM 12 CA VAL A 2 3.337 -9.205 -14.605 1.00 0.00 C ATOM 13 C VAL A 2 1.893 -9.170 -14.063 1.00 0.00 C ATOM 14 O VAL A 2 1.311 -8.106 -13.874 1.00 0.00 O ATOM 15 CB VAL A 2 4.418 -9.618 -13.573 1.00 0.00 C ATOM 16 CG1 VAL A 2 3.981 -10.067 -12.199 1.00 0.00 C ATOM 17 CG2 VAL A 2 5.380 -10.655 -14.151 1.00 0.00 C ATOM 0 HA VAL A 2 3.357 -9.994 -15.357 1.00 0.00 H new ATOM 0 HB VAL A 2 4.901 -8.658 -13.392 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.858 -10.319 -11.603 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.430 -9.263 -11.712 1.00 0.00 H new ATOM 0 HG13 VAL A 2 3.339 -10.944 -12.290 1.00 0.00 H new ATOM 0 HG21 VAL A 2 6.124 -10.920 -13.399 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.823 -11.546 -14.441 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.881 -10.239 -15.026 1.00 0.00 H new ATOM 27 N THR A 3 1.401 -10.365 -13.720 1.00 0.00 N ATOM 28 CA THR A 3 0.080 -10.574 -13.109 1.00 0.00 C ATOM 29 C THR A 3 0.220 -11.102 -11.671 1.00 0.00 C ATOM 30 O THR A 3 0.437 -12.289 -11.440 1.00 0.00 O ATOM 31 CB THR A 3 -0.710 -11.469 -14.073 1.00 0.00 C ATOM 32 OG1 THR A 3 -1.341 -10.565 -14.989 1.00 0.00 O ATOM 33 CG2 THR A 3 -1.709 -12.476 -13.475 1.00 0.00 C ATOM 0 H THR A 3 1.919 -11.233 -13.861 1.00 0.00 H new ATOM 0 HA THR A 3 -0.480 -9.648 -12.980 1.00 0.00 H new ATOM 0 HB THR A 3 -0.004 -12.157 -14.537 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.867 -11.074 -15.641 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.188 -13.034 -14.279 1.00 0.00 H new ATOM 0 HG22 THR A 3 -1.180 -13.167 -12.819 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.467 -11.941 -12.903 1.00 0.00 H new ATOM 41 N TRP A 4 0.217 -10.156 -10.734 1.00 0.00 N ATOM 42 CA TRP A 4 0.283 -10.490 -9.296 1.00 0.00 C ATOM 43 C TRP A 4 -1.112 -10.822 -8.762 1.00 0.00 C ATOM 44 O TRP A 4 -1.997 -9.980 -8.714 1.00 0.00 O ATOM 45 CB TRP A 4 0.878 -9.347 -8.469 1.00 0.00 C ATOM 46 CG TRP A 4 2.358 -9.102 -8.779 1.00 0.00 C ATOM 47 CD1 TRP A 4 2.820 -8.346 -9.763 1.00 0.00 C ATOM 48 CD2 TRP A 4 3.447 -9.600 -8.081 1.00 0.00 C ATOM 49 NE1 TRP A 4 4.159 -8.341 -9.744 1.00 0.00 N ATOM 50 CE2 TRP A 4 4.587 -9.098 -8.743 1.00 0.00 C ATOM 51 CE3 TRP A 4 3.577 -10.397 -6.927 1.00 0.00 C ATOM 52 CZ2 TRP A 4 5.884 -9.410 -8.276 1.00 0.00 C ATOM 53 CZ3 TRP A 4 4.878 -10.681 -6.451 1.00 0.00 C ATOM 54 CH2 TRP A 4 6.015 -10.197 -7.119 1.00 0.00 C ATOM 0 H TRP A 4 0.170 -9.157 -10.933 1.00 0.00 H new ATOM 0 HA TRP A 4 0.935 -11.358 -9.200 1.00 0.00 H new ATOM 0 HB2 TRP A 4 0.315 -8.434 -8.661 1.00 0.00 H new ATOM 0 HB3 TRP A 4 0.766 -9.574 -7.409 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.208 -7.813 -10.475 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.756 -7.834 -10.397 1.00 0.00 H new ATOM 0 HE3 TRP A 4 2.705 -10.781 -6.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.758 -9.050 -8.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 4.999 -11.279 -5.560 1.00 0.00 H new ATOM 0 HH2 TRP A 4 6.999 -10.432 -6.740 1.00 0.00 H new ATOM 65 N THR A 5 -1.290 -12.085 -8.443 1.00 0.00 N ATOM 66 CA THR A 5 -2.594 -12.632 -8.018 1.00 0.00 C ATOM 67 C THR A 5 -2.508 -13.025 -6.539 1.00 0.00 C ATOM 68 O THR A 5 -1.597 -13.736 -6.113 1.00 0.00 O ATOM 69 CB THR A 5 -2.986 -13.813 -8.904 1.00 0.00 C ATOM 70 OG1 THR A 5 -2.718 -13.465 -10.269 1.00 0.00 O ATOM 71 CG2 THR A 5 -4.497 -14.104 -8.801 1.00 0.00 C ATOM 0 H THR A 5 -0.542 -12.778 -8.466 1.00 0.00 H new ATOM 0 HA THR A 5 -3.374 -11.879 -8.129 1.00 0.00 H new ATOM 0 HB THR A 5 -2.420 -14.687 -8.582 1.00 0.00 H new ATOM 0 HG1 THR A 5 -2.963 -14.214 -10.852 1.00 0.00 H new ATOM 0 HG21 THR A 5 -4.749 -14.949 -9.441 1.00 0.00 H new ATOM 0 HG22 THR A 5 -4.752 -14.342 -7.768 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.059 -13.226 -9.120 1.00 0.00 H new ATOM 79 N CYS A 6 -3.403 -12.410 -5.779 1.00 0.00 N ATOM 80 CA CYS A 6 -3.478 -12.546 -4.317 1.00 0.00 C ATOM 81 C CYS A 6 -4.785 -13.264 -3.956 1.00 0.00 C ATOM 82 O CYS A 6 -5.846 -12.946 -4.502 1.00 0.00 O ATOM 83 CB CYS A 6 -3.503 -11.159 -3.683 1.00 0.00 C ATOM 84 SG CYS A 6 -2.402 -9.900 -4.456 1.00 0.00 S ATOM 0 H CYS A 6 -4.115 -11.788 -6.162 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.617 -13.108 -3.955 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.527 -10.786 -3.713 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -3.230 -11.256 -2.632 1.00 0.00 H new ATOM 89 N LEU A 7 -4.704 -14.226 -3.057 1.00 0.00 N ATOM 90 CA LEU A 7 -5.890 -15.000 -2.651 1.00 0.00 C ATOM 91 C LEU A 7 -6.416 -14.504 -1.289 1.00 0.00 C ATOM 92 O LEU A 7 -6.057 -15.003 -0.227 1.00 0.00 O ATOM 93 CB LEU A 7 -5.548 -16.495 -2.626 1.00 0.00 C ATOM 94 CG LEU A 7 -5.679 -17.123 -4.016 1.00 0.00 C ATOM 95 CD1 LEU A 7 -4.946 -18.467 -4.040 1.00 0.00 C ATOM 96 CD2 LEU A 7 -7.152 -17.333 -4.386 1.00 0.00 C ATOM 0 H LEU A 7 -3.840 -14.499 -2.589 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.689 -14.851 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.531 -16.631 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -6.210 -17.009 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.235 -16.446 -4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -5.039 -18.915 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.892 -18.311 -3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -5.384 -19.134 -3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.218 -17.780 -5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.619 -17.996 -3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.668 -16.373 -4.386 1.00 0.00 H new ATOM 108 N ASN A 8 -7.142 -13.392 -1.373 1.00 0.00 N ATOM 109 CA ASN A 8 -7.724 -12.732 -0.192 1.00 0.00 C ATOM 110 C ASN A 8 -9.044 -13.416 0.171 1.00 0.00 C ATOM 111 O ASN A 8 -9.749 -13.958 -0.680 1.00 0.00 O ATOM 112 CB ASN A 8 -7.983 -11.242 -0.450 1.00 0.00 C ATOM 113 CG ASN A 8 -6.728 -10.495 -0.908 1.00 0.00 C ATOM 114 OD1 ASN A 8 -6.175 -9.673 -0.053 1.00 0.00 O flip ATOM 115 ND2 ASN A 8 -6.227 -10.678 -2.004 1.00 0.00 N flip ATOM 0 H ASN A 8 -7.347 -12.920 -2.254 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.012 -12.817 0.629 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.759 -11.138 -1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.363 -10.780 0.461 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.665 -11.321 -2.664 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.370 -10.189 -2.261 1.00 0.00 H new ATOM 122 N ASP A 9 -9.414 -13.277 1.433 1.00 0.00 N ATOM 123 CA ASP A 9 -10.672 -13.852 1.918 1.00 0.00 C ATOM 124 C ASP A 9 -11.760 -12.761 1.962 1.00 0.00 C ATOM 125 O ASP A 9 -11.459 -11.588 2.157 1.00 0.00 O ATOM 126 CB ASP A 9 -10.355 -14.492 3.279 1.00 0.00 C ATOM 127 CG ASP A 9 -11.092 -15.804 3.557 1.00 0.00 C ATOM 128 OD1 ASP A 9 -11.960 -16.177 2.735 1.00 0.00 O ATOM 129 OD2 ASP A 9 -10.919 -16.303 4.689 1.00 0.00 O ATOM 0 H ASP A 9 -8.873 -12.778 2.139 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.076 -14.622 1.261 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -9.282 -14.675 3.338 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.601 -13.779 4.066 1.00 0.00 H new ATOM 134 N GLN A 10 -12.999 -13.148 1.686 1.00 0.00 N ATOM 135 CA GLN A 10 -14.167 -12.250 1.645 1.00 0.00 C ATOM 136 C GLN A 10 -15.424 -12.892 2.241 1.00 0.00 C ATOM 137 O GLN A 10 -15.818 -13.975 1.818 1.00 0.00 O ATOM 138 CB GLN A 10 -14.466 -11.783 0.219 1.00 0.00 C ATOM 139 CG GLN A 10 -13.637 -10.541 -0.088 1.00 0.00 C ATOM 140 CD GLN A 10 -13.794 -10.064 -1.524 1.00 0.00 C ATOM 141 OE1 GLN A 10 -14.727 -10.373 -2.248 1.00 0.00 O ATOM 142 NE2 GLN A 10 -12.853 -9.266 -1.973 1.00 0.00 N ATOM 0 H GLN A 10 -13.235 -14.118 1.478 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.901 -11.389 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -14.232 -12.575 -0.492 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.528 -11.561 0.112 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.929 -9.739 0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.586 -10.755 0.105 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.073 -9.007 -1.369 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -12.902 -8.905 -2.926 1.00 0.00 H new ATOM 151 N LYS A 11 -15.920 -12.277 3.317 1.00 0.00 N ATOM 152 CA LYS A 11 -17.133 -12.764 4.004 1.00 0.00 C ATOM 153 C LYS A 11 -18.366 -12.238 3.266 1.00 0.00 C ATOM 154 O LYS A 11 -18.882 -11.156 3.525 1.00 0.00 O ATOM 155 CB LYS A 11 -17.165 -12.361 5.489 1.00 0.00 C ATOM 156 CG LYS A 11 -18.366 -12.988 6.206 1.00 0.00 C ATOM 157 CD LYS A 11 -17.933 -14.074 7.199 1.00 0.00 C ATOM 158 CE LYS A 11 -18.215 -13.609 8.626 1.00 0.00 C ATOM 159 NZ LYS A 11 -17.201 -14.142 9.540 1.00 0.00 N ATOM 0 H LYS A 11 -15.507 -11.443 3.735 1.00 0.00 H new ATOM 0 HA LYS A 11 -17.127 -13.854 3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -16.242 -12.677 5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.214 -11.275 5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.920 -12.212 6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -19.045 -13.418 5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.469 -15.001 6.996 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.871 -14.287 7.079 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.217 -12.520 8.668 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.206 -13.942 8.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.402 -13.820 10.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.219 -15.181 9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.261 -13.804 9.251 1.00 0.00 H new ATOM 173 N ASN A 12 -18.757 -13.035 2.278 1.00 0.00 N ATOM 174 CA ASN A 12 -19.922 -12.720 1.432 1.00 0.00 C ATOM 175 C ASN A 12 -21.165 -12.579 2.333 1.00 0.00 C ATOM 176 O ASN A 12 -21.421 -13.495 3.105 1.00 0.00 O ATOM 177 CB ASN A 12 -20.137 -13.834 0.408 1.00 0.00 C ATOM 178 CG ASN A 12 -20.578 -13.243 -0.932 1.00 0.00 C ATOM 179 OD1 ASN A 12 -20.265 -12.116 -1.298 1.00 0.00 O ATOM 180 ND2 ASN A 12 -21.376 -13.974 -1.669 1.00 0.00 N ATOM 0 H ASN A 12 -18.289 -13.908 2.036 1.00 0.00 H new ATOM 0 HA ASN A 12 -19.750 -11.786 0.896 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -19.215 -14.401 0.278 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -20.891 -14.532 0.772 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -21.738 -13.606 -2.549 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -21.636 -14.912 -1.363 1.00 0.00 H new ATOM 187 N PRO A 13 -21.885 -11.446 2.279 1.00 0.00 N ATOM 188 CA PRO A 13 -23.076 -11.228 3.110 1.00 0.00 C ATOM 189 C PRO A 13 -24.289 -12.077 2.669 1.00 0.00 C ATOM 190 O PRO A 13 -25.097 -12.480 3.502 1.00 0.00 O ATOM 191 CB PRO A 13 -23.345 -9.725 3.020 1.00 0.00 C ATOM 192 CG PRO A 13 -22.772 -9.318 1.668 1.00 0.00 C ATOM 193 CD PRO A 13 -21.586 -10.269 1.432 1.00 0.00 C ATOM 0 HA PRO A 13 -22.907 -11.549 4.138 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.411 -9.508 3.081 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.862 -9.185 3.835 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -23.518 -9.414 0.879 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -22.448 -8.277 1.675 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.502 -10.546 0.381 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -20.642 -9.805 1.716 1.00 0.00 H new ATOM 201 N LYS A 14 -24.320 -12.426 1.381 1.00 0.00 N ATOM 202 CA LYS A 14 -25.368 -13.291 0.799 1.00 0.00 C ATOM 203 C LYS A 14 -25.321 -14.684 1.433 1.00 0.00 C ATOM 204 O LYS A 14 -26.315 -15.180 1.962 1.00 0.00 O ATOM 205 CB LYS A 14 -25.168 -13.315 -0.732 1.00 0.00 C ATOM 206 CG LYS A 14 -26.154 -14.164 -1.564 1.00 0.00 C ATOM 207 CD LYS A 14 -25.821 -15.656 -1.542 1.00 0.00 C ATOM 208 CE LYS A 14 -26.326 -16.393 -2.786 1.00 0.00 C ATOM 209 NZ LYS A 14 -26.349 -17.838 -2.515 1.00 0.00 N ATOM 0 H LYS A 14 -23.621 -12.120 0.704 1.00 0.00 H new ATOM 0 HA LYS A 14 -26.364 -12.901 1.009 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -25.219 -12.288 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -24.159 -13.675 -0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -27.164 -14.017 -1.182 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -26.149 -13.811 -2.595 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -24.741 -15.782 -1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -26.260 -16.109 -0.653 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -27.324 -16.044 -3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -25.679 -16.181 -3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -26.691 -18.344 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -25.389 -18.163 -2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -26.983 -18.031 -1.714 1.00 0.00 H new ATOM 223 N THR A 15 -24.142 -15.301 1.353 1.00 0.00 N ATOM 224 CA THR A 15 -23.911 -16.655 1.868 1.00 0.00 C ATOM 225 C THR A 15 -23.642 -16.665 3.377 1.00 0.00 C ATOM 226 O THR A 15 -23.890 -17.681 4.027 1.00 0.00 O ATOM 227 CB THR A 15 -22.720 -17.314 1.148 1.00 0.00 C ATOM 228 OG1 THR A 15 -21.555 -16.521 1.360 1.00 0.00 O ATOM 229 CG2 THR A 15 -22.958 -17.516 -0.351 1.00 0.00 C ATOM 0 H THR A 15 -23.317 -14.877 0.929 1.00 0.00 H new ATOM 0 HA THR A 15 -24.824 -17.219 1.677 1.00 0.00 H new ATOM 0 HB THR A 15 -22.590 -18.310 1.572 1.00 0.00 H new ATOM 0 HG1 THR A 15 -20.791 -16.934 0.906 1.00 0.00 H new ATOM 0 HG21 THR A 15 -22.081 -17.984 -0.799 1.00 0.00 H new ATOM 0 HG22 THR A 15 -23.827 -18.157 -0.498 1.00 0.00 H new ATOM 0 HG23 THR A 15 -23.135 -16.550 -0.825 1.00 0.00 H new ATOM 237 N ASN A 16 -23.058 -15.562 3.872 1.00 0.00 N ATOM 238 CA ASN A 16 -22.604 -15.342 5.264 1.00 0.00 C ATOM 239 C ASN A 16 -21.317 -16.130 5.592 1.00 0.00 C ATOM 240 O ASN A 16 -20.928 -16.291 6.749 1.00 0.00 O ATOM 241 CB ASN A 16 -23.710 -15.692 6.262 1.00 0.00 C ATOM 242 CG ASN A 16 -23.909 -14.595 7.299 1.00 0.00 C ATOM 243 OD1 ASN A 16 -23.057 -14.257 8.104 1.00 0.00 O ATOM 244 ND2 ASN A 16 -25.085 -14.015 7.259 1.00 0.00 N ATOM 0 H ASN A 16 -22.877 -14.750 3.281 1.00 0.00 H new ATOM 0 HA ASN A 16 -22.370 -14.281 5.354 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -24.644 -15.857 5.725 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -23.462 -16.626 6.765 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -25.305 -13.262 7.911 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -25.780 -14.317 6.576 1.00 0.00 H new ATOM 251 N LYS A 17 -20.627 -16.529 4.535 1.00 0.00 N ATOM 252 CA LYS A 17 -19.398 -17.320 4.641 1.00 0.00 C ATOM 253 C LYS A 17 -18.205 -16.596 3.989 1.00 0.00 C ATOM 254 O LYS A 17 -18.383 -15.704 3.163 1.00 0.00 O ATOM 255 CB LYS A 17 -19.589 -18.705 4.018 1.00 0.00 C ATOM 256 CG LYS A 17 -19.467 -19.783 5.090 1.00 0.00 C ATOM 257 CD LYS A 17 -19.005 -21.121 4.496 1.00 0.00 C ATOM 258 CE LYS A 17 -20.041 -21.790 3.592 1.00 0.00 C ATOM 259 NZ LYS A 17 -20.829 -22.769 4.355 1.00 0.00 N ATOM 0 H LYS A 17 -20.899 -16.316 3.575 1.00 0.00 H new ATOM 0 HA LYS A 17 -19.176 -17.443 5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -20.567 -18.766 3.540 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -18.843 -18.869 3.240 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -18.759 -19.459 5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -20.430 -19.916 5.584 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -18.091 -20.957 3.925 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -18.755 -21.801 5.310 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -20.701 -21.036 3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -19.541 -22.285 2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -21.529 -23.216 3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -20.196 -23.498 4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -21.320 -22.287 5.135 1.00 0.00 H new ATOM 273 N TYR A 18 -17.026 -17.109 4.318 1.00 0.00 N ATOM 274 CA TYR A 18 -15.747 -16.581 3.831 1.00 0.00 C ATOM 275 C TYR A 18 -15.237 -17.367 2.620 1.00 0.00 C ATOM 276 O TYR A 18 -15.293 -18.592 2.586 1.00 0.00 O ATOM 277 CB TYR A 18 -14.709 -16.634 4.962 1.00 0.00 C ATOM 278 CG TYR A 18 -14.300 -15.241 5.442 1.00 0.00 C ATOM 279 CD1 TYR A 18 -13.679 -14.369 4.540 1.00 0.00 C ATOM 280 CD2 TYR A 18 -14.463 -14.891 6.796 1.00 0.00 C ATOM 281 CE1 TYR A 18 -13.189 -13.136 4.976 1.00 0.00 C ATOM 282 CE2 TYR A 18 -13.996 -13.638 7.248 1.00 0.00 C ATOM 283 CZ TYR A 18 -13.355 -12.771 6.321 1.00 0.00 C ATOM 284 OH TYR A 18 -12.876 -11.564 6.711 1.00 0.00 O ATOM 0 H TYR A 18 -16.924 -17.913 4.938 1.00 0.00 H new ATOM 0 HA TYR A 18 -15.903 -15.549 3.516 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -15.117 -17.199 5.800 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.825 -17.170 4.616 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.578 -14.651 3.502 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -14.941 -15.575 7.482 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.689 -12.472 4.287 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -14.123 -13.343 8.279 1.00 0.00 H new ATOM 0 HH TYR A 18 -13.056 -11.433 7.665 1.00 0.00 H new ATOM 294 N GLU A 19 -14.897 -16.614 1.578 1.00 0.00 N ATOM 295 CA GLU A 19 -14.439 -17.179 0.303 1.00 0.00 C ATOM 296 C GLU A 19 -13.071 -16.599 -0.062 1.00 0.00 C ATOM 297 O GLU A 19 -12.835 -15.406 0.141 1.00 0.00 O ATOM 298 CB GLU A 19 -15.417 -16.867 -0.839 1.00 0.00 C ATOM 299 CG GLU A 19 -16.886 -16.868 -0.398 1.00 0.00 C ATOM 300 CD GLU A 19 -17.853 -16.889 -1.568 1.00 0.00 C ATOM 301 OE1 GLU A 19 -18.129 -15.794 -2.110 1.00 0.00 O ATOM 302 OE2 GLU A 19 -18.366 -17.988 -1.847 1.00 0.00 O ATOM 0 H GLU A 19 -14.930 -15.595 1.589 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.378 -18.260 0.430 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.172 -15.892 -1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -15.283 -17.601 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -17.070 -17.736 0.235 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -17.078 -15.984 0.210 1.00 0.00 H new ATOM 309 N THR A 20 -12.265 -17.396 -0.738 1.00 0.00 N ATOM 310 CA THR A 20 -10.898 -16.997 -1.100 1.00 0.00 C ATOM 311 C THR A 20 -10.865 -16.591 -2.586 1.00 0.00 C ATOM 312 O THR A 20 -10.602 -17.394 -3.478 1.00 0.00 O ATOM 313 CB THR A 20 -9.908 -18.111 -0.754 1.00 0.00 C ATOM 314 OG1 THR A 20 -10.124 -18.468 0.612 1.00 0.00 O ATOM 315 CG2 THR A 20 -8.457 -17.676 -0.908 1.00 0.00 C ATOM 0 H THR A 20 -12.526 -18.330 -1.054 1.00 0.00 H new ATOM 0 HA THR A 20 -10.589 -16.128 -0.519 1.00 0.00 H new ATOM 0 HB THR A 20 -10.076 -18.942 -1.439 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.504 -19.183 0.865 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.799 -18.506 -0.649 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.275 -17.376 -1.940 1.00 0.00 H new ATOM 0 HG23 THR A 20 -8.257 -16.834 -0.245 1.00 0.00 H new ATOM 323 N LYS A 21 -11.280 -15.347 -2.785 1.00 0.00 N ATOM 324 CA LYS A 21 -11.328 -14.709 -4.119 1.00 0.00 C ATOM 325 C LYS A 21 -9.898 -14.530 -4.662 1.00 0.00 C ATOM 326 O LYS A 21 -8.922 -14.575 -3.922 1.00 0.00 O ATOM 327 CB LYS A 21 -12.046 -13.360 -4.019 1.00 0.00 C ATOM 328 CG LYS A 21 -13.432 -13.475 -3.372 1.00 0.00 C ATOM 329 CD LYS A 21 -14.553 -13.241 -4.386 1.00 0.00 C ATOM 330 CE LYS A 21 -15.852 -13.873 -3.899 1.00 0.00 C ATOM 331 NZ LYS A 21 -16.655 -14.217 -5.079 1.00 0.00 N ATOM 0 H LYS A 21 -11.597 -14.739 -2.030 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.881 -15.345 -4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.434 -12.669 -3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.149 -12.933 -5.017 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.545 -14.464 -2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.517 -12.750 -2.563 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.697 -12.171 -4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.274 -13.666 -5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.644 -14.763 -3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.396 -13.181 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.550 -14.651 -4.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.856 -13.355 -5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.128 -14.889 -5.673 1.00 0.00 H new ATOM 345 N ARG A 22 -9.809 -14.369 -5.976 1.00 0.00 N ATOM 346 CA ARG A 22 -8.518 -14.232 -6.675 1.00 0.00 C ATOM 347 C ARG A 22 -8.317 -12.780 -7.130 1.00 0.00 C ATOM 348 O ARG A 22 -8.850 -12.318 -8.149 1.00 0.00 O ATOM 349 CB ARG A 22 -8.492 -15.154 -7.900 1.00 0.00 C ATOM 350 CG ARG A 22 -8.514 -16.642 -7.527 1.00 0.00 C ATOM 351 CD ARG A 22 -9.538 -17.408 -8.368 1.00 0.00 C ATOM 352 NE ARG A 22 -10.883 -17.359 -7.753 1.00 0.00 N ATOM 353 CZ ARG A 22 -12.027 -17.673 -8.375 1.00 0.00 C ATOM 354 NH1 ARG A 22 -12.046 -17.973 -9.657 1.00 0.00 N ATOM 355 NH2 ARG A 22 -13.171 -17.666 -7.708 1.00 0.00 N ATOM 0 H ARG A 22 -10.620 -14.329 -6.593 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.716 -14.509 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.350 -14.931 -8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.598 -14.945 -8.487 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.523 -17.072 -7.675 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.754 -16.751 -6.469 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -9.579 -16.983 -9.371 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.222 -18.446 -8.474 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.944 -17.063 -6.779 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.179 -17.969 -10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.928 -18.209 -10.112 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.183 -17.421 -6.718 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.041 -17.906 -8.184 1.00 0.00 H new ATOM 369 N LEU A 23 -7.590 -12.054 -6.304 1.00 0.00 N ATOM 370 CA LEU A 23 -7.248 -10.639 -6.554 1.00 0.00 C ATOM 371 C LEU A 23 -6.056 -10.524 -7.497 1.00 0.00 C ATOM 372 O LEU A 23 -4.893 -10.531 -7.079 1.00 0.00 O ATOM 373 CB LEU A 23 -6.994 -9.956 -5.204 1.00 0.00 C ATOM 374 CG LEU A 23 -8.045 -8.880 -4.931 1.00 0.00 C ATOM 375 CD1 LEU A 23 -9.447 -9.479 -4.690 1.00 0.00 C ATOM 376 CD2 LEU A 23 -7.612 -8.104 -3.702 1.00 0.00 C ATOM 0 H LEU A 23 -7.210 -12.418 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.076 -10.134 -7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -7.013 -10.699 -4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.000 -9.509 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.117 -8.235 -5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.158 -8.675 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.759 -10.040 -5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.415 -10.145 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.346 -7.328 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.537 -8.782 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.641 -7.644 -3.886 1.00 0.00 H new ATOM 388 N LEU A 24 -6.380 -10.569 -8.774 1.00 0.00 N ATOM 389 CA LEU A 24 -5.406 -10.393 -9.854 1.00 0.00 C ATOM 390 C LEU A 24 -5.161 -8.897 -10.107 1.00 0.00 C ATOM 391 O LEU A 24 -6.067 -8.109 -10.377 1.00 0.00 O ATOM 392 CB LEU A 24 -5.830 -11.238 -11.073 1.00 0.00 C ATOM 393 CG LEU A 24 -5.411 -10.803 -12.493 1.00 0.00 C ATOM 394 CD1 LEU A 24 -6.367 -9.764 -13.089 1.00 0.00 C ATOM 395 CD2 LEU A 24 -3.964 -10.335 -12.584 1.00 0.00 C ATOM 0 H LEU A 24 -7.332 -10.730 -9.103 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.424 -10.778 -9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.449 -12.247 -10.917 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.918 -11.303 -11.061 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.481 -11.706 -13.099 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.029 -9.490 -14.089 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.371 -10.185 -13.148 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.382 -8.877 -12.455 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.739 -10.045 -13.610 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.816 -9.480 -11.924 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.300 -11.145 -12.282 1.00 0.00 H new ATOM 407 N TYR A 25 -3.892 -8.574 -9.979 1.00 0.00 N ATOM 408 CA TYR A 25 -3.336 -7.227 -10.199 1.00 0.00 C ATOM 409 C TYR A 25 -2.358 -7.227 -11.363 1.00 0.00 C ATOM 410 O TYR A 25 -1.772 -8.247 -11.721 1.00 0.00 O ATOM 411 CB TYR A 25 -2.601 -6.771 -8.934 1.00 0.00 C ATOM 412 CG TYR A 25 -3.602 -6.449 -7.830 1.00 0.00 C ATOM 413 CD1 TYR A 25 -4.016 -7.470 -6.943 1.00 0.00 C ATOM 414 CD2 TYR A 25 -4.101 -5.136 -7.769 1.00 0.00 C ATOM 415 CE1 TYR A 25 -4.987 -7.154 -5.972 1.00 0.00 C ATOM 416 CE2 TYR A 25 -5.047 -4.844 -6.769 1.00 0.00 C ATOM 417 CZ TYR A 25 -5.478 -5.834 -5.872 1.00 0.00 C ATOM 418 OH TYR A 25 -6.232 -5.448 -4.804 1.00 0.00 O ATOM 0 H TYR A 25 -3.182 -9.255 -9.710 1.00 0.00 H new ATOM 0 HA TYR A 25 -4.157 -6.548 -10.429 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.919 -7.552 -8.600 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.995 -5.892 -9.154 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.599 -8.464 -7.008 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.770 -4.379 -8.465 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.355 -7.920 -5.306 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -5.447 -3.844 -6.691 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.481 -4.505 -4.903 1.00 0.00 H new ATOM 428 N ASN A 26 -2.053 -6.018 -11.815 1.00 0.00 N ATOM 429 CA ASN A 26 -1.087 -5.840 -12.898 1.00 0.00 C ATOM 430 C ASN A 26 0.138 -5.117 -12.333 1.00 0.00 C ATOM 431 O ASN A 26 0.048 -3.990 -11.849 1.00 0.00 O ATOM 432 CB ASN A 26 -1.726 -4.992 -14.001 1.00 0.00 C ATOM 433 CG ASN A 26 -1.413 -5.599 -15.366 1.00 0.00 C ATOM 434 OD1 ASN A 26 -0.388 -5.108 -16.029 1.00 0.00 O flip ATOM 435 ND2 ASN A 26 -2.087 -6.492 -15.866 1.00 0.00 N flip ATOM 0 H ASN A 26 -2.454 -5.152 -11.455 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.791 -6.804 -13.313 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.805 -4.941 -13.854 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.349 -3.971 -13.952 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.883 -6.876 -15.357 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.852 -6.851 -16.791 1.00 0.00 H new ATOM 442 N GLN A 27 1.290 -5.754 -12.500 1.00 0.00 N ATOM 443 CA GLN A 27 2.575 -5.151 -12.093 1.00 0.00 C ATOM 444 C GLN A 27 2.804 -3.801 -12.775 1.00 0.00 C ATOM 445 O GLN A 27 3.339 -2.903 -12.148 1.00 0.00 O ATOM 446 CB GLN A 27 3.745 -6.083 -12.412 1.00 0.00 C ATOM 447 CG GLN A 27 5.112 -5.424 -12.191 1.00 0.00 C ATOM 448 CD GLN A 27 6.274 -6.378 -12.371 1.00 0.00 C ATOM 449 OE1 GLN A 27 6.263 -7.508 -11.895 1.00 0.00 O ATOM 450 NE2 GLN A 27 7.352 -5.864 -12.901 1.00 0.00 N ATOM 0 H GLN A 27 1.372 -6.684 -12.911 1.00 0.00 H new ATOM 0 HA GLN A 27 2.523 -4.994 -11.016 1.00 0.00 H new ATOM 0 HB2 GLN A 27 3.673 -6.975 -11.789 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.669 -6.411 -13.449 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.223 -4.592 -12.887 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.147 -5.005 -11.185 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.330 -4.921 -13.289 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.216 -6.406 -12.927 1.00 0.00 H new ATOM 459 N ASN A 28 2.347 -3.685 -14.020 1.00 0.00 N ATOM 460 CA ASN A 28 2.445 -2.418 -14.773 1.00 0.00 C ATOM 461 C ASN A 28 1.827 -1.278 -13.972 1.00 0.00 C ATOM 462 O ASN A 28 2.577 -0.448 -13.484 1.00 0.00 O ATOM 463 CB ASN A 28 1.788 -2.510 -16.152 1.00 0.00 C ATOM 464 CG ASN A 28 2.083 -1.243 -16.947 1.00 0.00 C ATOM 465 OD1 ASN A 28 3.219 -0.949 -17.286 1.00 0.00 O ATOM 466 ND2 ASN A 28 1.085 -0.425 -17.163 1.00 0.00 N ATOM 0 H ASN A 28 1.905 -4.446 -14.535 1.00 0.00 H new ATOM 0 HA ASN A 28 3.505 -2.218 -14.931 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.164 -3.382 -16.687 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.711 -2.641 -16.045 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.250 0.472 -17.620 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.142 -0.684 -16.874 1.00 0.00 H new ATOM 473 N LYS A 29 0.584 -1.484 -13.550 1.00 0.00 N ATOM 474 CA LYS A 29 -0.119 -0.501 -12.712 1.00 0.00 C ATOM 475 C LYS A 29 0.581 -0.325 -11.350 1.00 0.00 C ATOM 476 O LYS A 29 0.778 0.805 -10.931 1.00 0.00 O ATOM 477 CB LYS A 29 -1.579 -0.907 -12.544 1.00 0.00 C ATOM 478 CG LYS A 29 -2.431 0.354 -12.426 1.00 0.00 C ATOM 479 CD LYS A 29 -3.062 0.565 -11.046 1.00 0.00 C ATOM 480 CE LYS A 29 -2.079 1.060 -10.004 1.00 0.00 C ATOM 481 NZ LYS A 29 -2.753 1.444 -8.774 1.00 0.00 N ATOM 0 H LYS A 29 0.039 -2.317 -13.770 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.089 0.467 -13.212 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.905 -1.504 -13.396 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.698 -1.527 -11.656 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.813 1.219 -12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.224 0.313 -13.172 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.879 1.282 -11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.498 -0.375 -10.706 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.349 0.279 -9.791 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.527 1.913 -10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.182 2.154 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.685 1.846 -9.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.874 0.607 -8.169 1.00 0.00 H new ATOM 495 N ALA A 30 1.174 -1.387 -10.818 1.00 0.00 N ATOM 496 CA ALA A 30 1.907 -1.369 -9.545 1.00 0.00 C ATOM 497 C ALA A 30 3.228 -0.572 -9.631 1.00 0.00 C ATOM 498 O ALA A 30 3.325 0.515 -9.055 1.00 0.00 O ATOM 499 CB ALA A 30 2.129 -2.817 -9.135 1.00 0.00 C ATOM 0 H ALA A 30 1.162 -2.305 -11.263 1.00 0.00 H new ATOM 0 HA ALA A 30 1.323 -0.848 -8.786 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.672 -2.849 -8.191 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.166 -3.313 -9.016 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.708 -3.328 -9.904 1.00 0.00 H new ATOM 505 N GLU A 31 4.148 -1.012 -10.485 1.00 0.00 N ATOM 506 CA GLU A 31 5.402 -0.308 -10.807 1.00 0.00 C ATOM 507 C GLU A 31 5.130 1.122 -11.301 1.00 0.00 C ATOM 508 O GLU A 31 5.779 2.039 -10.830 1.00 0.00 O ATOM 509 CB GLU A 31 6.270 -1.109 -11.805 1.00 0.00 C ATOM 510 CG GLU A 31 5.762 -1.206 -13.250 1.00 0.00 C ATOM 511 CD GLU A 31 6.182 -0.078 -14.210 1.00 0.00 C ATOM 512 OE1 GLU A 31 6.563 1.016 -13.746 1.00 0.00 O ATOM 513 OE2 GLU A 31 6.108 -0.358 -15.423 1.00 0.00 O ATOM 0 H GLU A 31 4.046 -1.892 -10.990 1.00 0.00 H new ATOM 0 HA GLU A 31 5.977 -0.227 -9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.264 -0.661 -11.825 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.384 -2.121 -11.418 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.104 -2.153 -13.668 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.673 -1.244 -13.226 1.00 0.00 H new ATOM 520 N SER A 32 4.041 1.314 -12.038 1.00 0.00 N ATOM 521 CA SER A 32 3.640 2.631 -12.575 1.00 0.00 C ATOM 522 C SER A 32 3.125 3.558 -11.468 1.00 0.00 C ATOM 523 O SER A 32 3.626 4.661 -11.296 1.00 0.00 O ATOM 524 CB SER A 32 2.556 2.503 -13.646 1.00 0.00 C ATOM 525 OG SER A 32 2.116 3.775 -14.122 1.00 0.00 O ATOM 0 H SER A 32 3.400 0.561 -12.287 1.00 0.00 H new ATOM 0 HA SER A 32 4.537 3.060 -13.022 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.940 1.917 -14.481 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.706 1.956 -13.237 1.00 0.00 H new ATOM 0 HG SER A 32 1.425 3.647 -14.805 1.00 0.00 H new ATOM 531 N ASN A 33 2.211 3.043 -10.656 1.00 0.00 N ATOM 532 CA ASN A 33 1.665 3.771 -9.509 1.00 0.00 C ATOM 533 C ASN A 33 2.777 4.199 -8.559 1.00 0.00 C ATOM 534 O ASN A 33 2.841 5.356 -8.152 1.00 0.00 O ATOM 535 CB ASN A 33 0.706 2.863 -8.743 1.00 0.00 C ATOM 536 CG ASN A 33 -0.030 3.726 -7.747 1.00 0.00 C ATOM 537 OD1 ASN A 33 -1.299 3.949 -8.018 1.00 0.00 O flip ATOM 538 ND2 ASN A 33 0.561 4.308 -6.861 1.00 0.00 N flip ATOM 0 H ASN A 33 1.824 2.106 -10.771 1.00 0.00 H new ATOM 0 HA ASN A 33 1.148 4.655 -9.882 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.006 2.381 -9.425 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.253 2.069 -8.234 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.545 4.104 -6.685 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.074 5.001 -6.292 1.00 0.00 H new ATOM 545 N SER A 34 3.626 3.233 -8.199 1.00 0.00 N ATOM 546 CA SER A 34 4.798 3.501 -7.348 1.00 0.00 C ATOM 547 C SER A 34 5.703 4.583 -7.963 1.00 0.00 C ATOM 548 O SER A 34 5.924 5.568 -7.272 1.00 0.00 O ATOM 549 CB SER A 34 5.579 2.209 -7.065 1.00 0.00 C ATOM 550 OG SER A 34 6.595 1.912 -8.021 1.00 0.00 O ATOM 0 H SER A 34 3.528 2.258 -8.481 1.00 0.00 H new ATOM 0 HA SER A 34 4.436 3.886 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.037 2.284 -6.079 1.00 0.00 H new ATOM 0 HB3 SER A 34 4.877 1.376 -7.028 1.00 0.00 H new ATOM 0 HG SER A 34 6.223 1.980 -8.925 1.00 0.00 H new ATOM 556 N HIS A 35 5.762 4.584 -9.295 1.00 0.00 N ATOM 557 CA HIS A 35 6.505 5.584 -10.097 1.00 0.00 C ATOM 558 C HIS A 35 5.737 6.904 -10.310 1.00 0.00 C ATOM 559 O HIS A 35 6.200 7.806 -11.020 1.00 0.00 O ATOM 560 CB HIS A 35 6.886 4.976 -11.464 1.00 0.00 C ATOM 561 CG HIS A 35 7.949 3.859 -11.412 1.00 0.00 C ATOM 562 ND1 HIS A 35 8.462 3.262 -12.487 1.00 0.00 N ATOM 563 CD2 HIS A 35 8.421 3.213 -10.353 1.00 0.00 C ATOM 564 CE1 HIS A 35 9.224 2.236 -12.093 1.00 0.00 C ATOM 565 NE2 HIS A 35 9.192 2.211 -10.766 1.00 0.00 N ATOM 0 H HIS A 35 5.290 3.883 -9.866 1.00 0.00 H new ATOM 0 HA HIS A 35 7.398 5.836 -9.525 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.985 4.577 -11.930 1.00 0.00 H new ATOM 0 HB3 HIS A 35 7.252 5.774 -12.110 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.213 3.461 -9.323 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.764 1.555 -12.734 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.674 1.540 -10.168 1.00 0.00 H new ATOM 574 N HIS A 36 4.602 7.024 -9.635 1.00 0.00 N ATOM 575 CA HIS A 36 3.738 8.213 -9.653 1.00 0.00 C ATOM 576 C HIS A 36 3.704 8.858 -8.258 1.00 0.00 C ATOM 577 O HIS A 36 4.056 10.026 -8.108 1.00 0.00 O ATOM 578 CB HIS A 36 2.334 7.801 -10.094 1.00 0.00 C ATOM 579 CG HIS A 36 1.832 8.655 -11.255 1.00 0.00 C ATOM 580 ND1 HIS A 36 0.964 9.649 -11.162 1.00 0.00 N ATOM 581 CD2 HIS A 36 2.198 8.530 -12.526 1.00 0.00 C ATOM 582 CE1 HIS A 36 0.767 10.147 -12.374 1.00 0.00 C ATOM 583 NE2 HIS A 36 1.527 9.454 -13.218 1.00 0.00 N ATOM 0 H HIS A 36 4.240 6.279 -9.040 1.00 0.00 H new ATOM 0 HA HIS A 36 4.131 8.947 -10.356 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.339 6.752 -10.390 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.647 7.892 -9.252 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.904 7.816 -12.924 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.110 10.965 -12.630 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.587 9.604 -14.225 1.00 0.00 H new ATOM 592 N ALA A 37 3.361 8.060 -7.240 1.00 0.00 N ATOM 593 CA ALA A 37 3.377 8.488 -5.827 1.00 0.00 C ATOM 594 C ALA A 37 4.756 9.040 -5.411 1.00 0.00 C ATOM 595 O ALA A 37 5.785 8.544 -5.886 1.00 0.00 O ATOM 596 CB ALA A 37 2.980 7.304 -4.937 1.00 0.00 C ATOM 0 H ALA A 37 3.062 7.093 -7.369 1.00 0.00 H new ATOM 0 HA ALA A 37 2.659 9.298 -5.704 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.990 7.615 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.979 6.967 -5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.688 6.488 -5.080 1.00 0.00 H new ATOM 602 N PRO A 38 4.792 10.141 -4.646 1.00 0.00 N ATOM 603 CA PRO A 38 6.040 10.781 -4.202 1.00 0.00 C ATOM 604 C PRO A 38 6.730 9.885 -3.177 1.00 0.00 C ATOM 605 O PRO A 38 6.090 9.228 -2.370 1.00 0.00 O ATOM 606 CB PRO A 38 5.631 12.126 -3.593 1.00 0.00 C ATOM 607 CG PRO A 38 4.195 11.916 -3.116 1.00 0.00 C ATOM 608 CD PRO A 38 3.628 10.881 -4.097 1.00 0.00 C ATOM 0 HA PRO A 38 6.746 10.934 -5.018 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.286 12.402 -2.767 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.690 12.928 -4.329 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.164 11.552 -2.089 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.625 12.845 -3.142 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.940 10.203 -3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.067 11.368 -4.894 1.00 0.00 H new ATOM 616 N LEU A 39 8.047 9.950 -3.167 1.00 0.00 N ATOM 617 CA LEU A 39 8.867 9.135 -2.264 1.00 0.00 C ATOM 618 C LEU A 39 9.018 9.807 -0.888 1.00 0.00 C ATOM 619 O LEU A 39 9.965 10.546 -0.623 1.00 0.00 O ATOM 620 CB LEU A 39 10.193 8.971 -2.972 1.00 0.00 C ATOM 621 CG LEU A 39 10.121 7.953 -4.109 1.00 0.00 C ATOM 622 CD1 LEU A 39 11.309 8.182 -5.040 1.00 0.00 C ATOM 623 CD2 LEU A 39 10.051 6.536 -3.537 1.00 0.00 C ATOM 0 H LEU A 39 8.586 10.564 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 39 8.411 8.167 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.512 9.935 -3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.950 8.657 -2.253 1.00 0.00 H new ATOM 0 HG LEU A 39 9.214 8.081 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.274 7.463 -5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 39 11.265 9.194 -5.443 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.237 8.053 -4.484 1.00 0.00 H new ATOM 0 HD21 LEU A 39 10.000 5.816 -4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.940 6.342 -2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.163 6.439 -2.912 1.00 0.00 H new ATOM 635 N SER A 40 8.017 9.545 -0.057 1.00 0.00 N ATOM 636 CA SER A 40 7.912 10.169 1.276 1.00 0.00 C ATOM 637 C SER A 40 6.935 9.404 2.169 1.00 0.00 C ATOM 638 O SER A 40 5.776 9.234 1.801 1.00 0.00 O ATOM 639 CB SER A 40 7.485 11.649 1.173 1.00 0.00 C ATOM 640 OG SER A 40 6.530 11.856 0.118 1.00 0.00 O ATOM 0 H SER A 40 7.256 8.901 -0.276 1.00 0.00 H new ATOM 0 HA SER A 40 8.903 10.127 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.054 11.970 2.121 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.363 12.269 0.995 1.00 0.00 H new ATOM 0 HG SER A 40 6.281 12.803 0.083 1.00 0.00 H new ATOM 646 N ASP A 41 7.441 8.999 3.324 1.00 0.00 N ATOM 647 CA ASP A 41 6.655 8.255 4.313 1.00 0.00 C ATOM 648 C ASP A 41 5.713 9.245 5.027 1.00 0.00 C ATOM 649 O ASP A 41 6.191 10.106 5.765 1.00 0.00 O ATOM 650 CB ASP A 41 7.565 7.557 5.332 1.00 0.00 C ATOM 651 CG ASP A 41 6.778 7.106 6.571 1.00 0.00 C ATOM 652 OD1 ASP A 41 5.791 6.371 6.379 1.00 0.00 O ATOM 653 OD2 ASP A 41 7.127 7.578 7.666 1.00 0.00 O ATOM 0 H ASP A 41 8.405 9.173 3.607 1.00 0.00 H new ATOM 0 HA ASP A 41 6.077 7.481 3.808 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.039 6.693 4.866 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.363 8.235 5.633 1.00 0.00 H new ATOM 658 N GLY A 42 4.421 8.989 4.869 1.00 0.00 N ATOM 659 CA GLY A 42 3.353 9.776 5.519 1.00 0.00 C ATOM 660 C GLY A 42 3.576 11.279 5.324 1.00 0.00 C ATOM 661 O GLY A 42 4.014 11.976 6.232 1.00 0.00 O ATOM 0 H GLY A 42 4.071 8.229 4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.385 9.492 5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.324 9.545 6.584 1.00 0.00 H new ATOM 665 N LYS A 43 3.381 11.709 4.086 1.00 0.00 N ATOM 666 CA LYS A 43 3.565 13.130 3.705 1.00 0.00 C ATOM 667 C LYS A 43 2.646 13.518 2.530 1.00 0.00 C ATOM 668 O LYS A 43 2.924 14.394 1.703 1.00 0.00 O ATOM 669 CB LYS A 43 5.038 13.371 3.379 1.00 0.00 C ATOM 670 CG LYS A 43 5.578 14.727 3.868 1.00 0.00 C ATOM 671 CD LYS A 43 5.369 15.881 2.874 1.00 0.00 C ATOM 672 CE LYS A 43 4.276 16.865 3.320 1.00 0.00 C ATOM 673 NZ LYS A 43 3.424 17.170 2.168 1.00 0.00 N ATOM 0 H LYS A 43 3.095 11.104 3.316 1.00 0.00 H new ATOM 0 HA LYS A 43 3.281 13.769 4.541 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.633 12.574 3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.175 13.306 2.300 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.092 14.981 4.810 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.644 14.628 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.308 16.421 2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.105 15.471 1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.683 16.432 4.125 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.725 17.778 3.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.611 17.740 2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.972 17.703 1.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.084 16.284 1.744 1.00 0.00 H new ATOM 687 N THR A 44 1.508 12.848 2.484 1.00 0.00 N ATOM 688 CA THR A 44 0.549 13.075 1.399 1.00 0.00 C ATOM 689 C THR A 44 -0.845 13.013 2.021 1.00 0.00 C ATOM 690 O THR A 44 -1.006 12.687 3.193 1.00 0.00 O ATOM 691 CB THR A 44 0.743 12.030 0.303 1.00 0.00 C ATOM 692 OG1 THR A 44 2.115 11.622 0.263 1.00 0.00 O ATOM 693 CG2 THR A 44 0.433 12.582 -1.086 1.00 0.00 C ATOM 0 H THR A 44 1.221 12.151 3.171 1.00 0.00 H new ATOM 0 HA THR A 44 0.694 14.046 0.925 1.00 0.00 H new ATOM 0 HB THR A 44 0.066 11.209 0.540 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.165 10.660 0.085 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.586 11.801 -1.830 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.603 12.919 -1.121 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.095 13.421 -1.300 1.00 0.00 H new ATOM 701 N GLY A 45 -1.831 13.303 1.187 1.00 0.00 N ATOM 702 CA GLY A 45 -3.230 13.333 1.590 1.00 0.00 C ATOM 703 C GLY A 45 -3.680 12.060 2.320 1.00 0.00 C ATOM 704 O GLY A 45 -3.801 12.032 3.536 1.00 0.00 O ATOM 0 H GLY A 45 -1.683 13.526 0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.395 14.193 2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.852 13.476 0.707 1.00 0.00 H new ATOM 708 N SER A 46 -3.703 10.975 1.565 1.00 0.00 N ATOM 709 CA SER A 46 -4.021 9.657 2.132 1.00 0.00 C ATOM 710 C SER A 46 -2.934 9.068 3.045 1.00 0.00 C ATOM 711 O SER A 46 -2.998 7.873 3.355 1.00 0.00 O ATOM 712 CB SER A 46 -4.347 8.646 1.045 1.00 0.00 C ATOM 713 OG SER A 46 -3.131 8.191 0.442 1.00 0.00 O ATOM 0 H SER A 46 -3.508 10.970 0.564 1.00 0.00 H new ATOM 0 HA SER A 46 -4.895 9.844 2.757 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.894 7.803 1.468 1.00 0.00 H new ATOM 0 HB3 SER A 46 -4.992 9.099 0.292 1.00 0.00 H new ATOM 0 HG SER A 46 -2.810 7.394 0.914 1.00 0.00 H new ATOM 719 N SER A 47 -1.851 9.827 3.211 1.00 0.00 N ATOM 720 CA SER A 47 -0.597 9.519 3.953 1.00 0.00 C ATOM 721 C SER A 47 0.408 8.805 3.041 1.00 0.00 C ATOM 722 O SER A 47 1.607 9.081 3.057 1.00 0.00 O ATOM 723 CB SER A 47 -0.840 8.695 5.229 1.00 0.00 C ATOM 724 OG SER A 47 -0.791 7.291 4.966 1.00 0.00 O ATOM 0 H SER A 47 -1.810 10.759 2.799 1.00 0.00 H new ATOM 0 HA SER A 47 -0.182 10.476 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.090 8.952 5.977 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.812 8.953 5.650 1.00 0.00 H new ATOM 0 HG SER A 47 -1.512 7.049 4.348 1.00 0.00 H new ATOM 730 N TYR A 48 -0.159 7.998 2.148 1.00 0.00 N ATOM 731 CA TYR A 48 0.543 7.172 1.154 1.00 0.00 C ATOM 732 C TYR A 48 1.464 7.994 0.248 1.00 0.00 C ATOM 733 O TYR A 48 1.074 9.066 -0.195 1.00 0.00 O ATOM 734 CB TYR A 48 -0.481 6.367 0.338 1.00 0.00 C ATOM 735 CG TYR A 48 -1.365 5.459 1.196 1.00 0.00 C ATOM 736 CD1 TYR A 48 -0.857 4.806 2.327 1.00 0.00 C ATOM 737 CD2 TYR A 48 -2.717 5.305 0.819 1.00 0.00 C ATOM 738 CE1 TYR A 48 -1.699 4.001 3.105 1.00 0.00 C ATOM 739 CE2 TYR A 48 -3.568 4.476 1.575 1.00 0.00 C ATOM 740 CZ TYR A 48 -3.037 3.829 2.708 1.00 0.00 C ATOM 741 OH TYR A 48 -3.773 2.901 3.383 1.00 0.00 O ATOM 0 H TYR A 48 -1.172 7.893 2.090 1.00 0.00 H new ATOM 0 HA TYR A 48 1.194 6.482 1.691 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.115 7.058 -0.218 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.048 5.758 -0.396 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.182 4.923 2.598 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.098 5.823 -0.049 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.326 3.519 3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.602 4.340 1.293 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.446 2.832 4.304 1.00 0.00 H new ATOM 751 N PRO A 49 2.635 7.441 -0.093 1.00 0.00 N ATOM 752 CA PRO A 49 3.094 6.094 0.306 1.00 0.00 C ATOM 753 C PRO A 49 3.643 6.083 1.734 1.00 0.00 C ATOM 754 O PRO A 49 4.339 6.987 2.190 1.00 0.00 O ATOM 755 CB PRO A 49 4.112 5.678 -0.745 1.00 0.00 C ATOM 756 CG PRO A 49 4.677 7.000 -1.227 1.00 0.00 C ATOM 757 CD PRO A 49 3.560 8.047 -1.060 1.00 0.00 C ATOM 0 HA PRO A 49 2.276 5.375 0.337 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.888 5.039 -0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.646 5.120 -1.557 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.558 7.278 -0.648 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.989 6.930 -2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.955 8.994 -0.693 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.064 8.254 -2.008 1.00 0.00 H new ATOM 765 N HIS A 50 3.031 5.193 2.489 1.00 0.00 N ATOM 766 CA HIS A 50 3.432 5.026 3.888 1.00 0.00 C ATOM 767 C HIS A 50 4.469 3.910 3.950 1.00 0.00 C ATOM 768 O HIS A 50 4.404 2.940 3.190 1.00 0.00 O ATOM 769 CB HIS A 50 2.223 4.751 4.809 1.00 0.00 C ATOM 770 CG HIS A 50 1.658 3.326 4.745 1.00 0.00 C ATOM 771 ND1 HIS A 50 1.441 2.539 5.792 1.00 0.00 N ATOM 772 CD2 HIS A 50 1.137 2.721 3.695 1.00 0.00 C ATOM 773 CE1 HIS A 50 0.762 1.458 5.382 1.00 0.00 C ATOM 774 NE2 HIS A 50 0.565 1.579 4.081 1.00 0.00 N ATOM 0 H HIS A 50 2.274 4.585 2.177 1.00 0.00 H new ATOM 0 HA HIS A 50 3.870 5.953 4.258 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.516 4.962 5.838 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.427 5.451 4.554 1.00 0.00 H new ATOM 0 HD1 HIS A 50 1.741 2.726 6.749 1.00 0.00 H new ATOM 0 HD2 HIS A 50 1.168 3.092 2.681 1.00 0.00 H new ATOM 0 HE1 HIS A 50 0.435 0.637 6.003 1.00 0.00 H new ATOM 783 N TRP A 51 5.502 4.190 4.738 1.00 0.00 N ATOM 784 CA TRP A 51 6.555 3.210 4.998 1.00 0.00 C ATOM 785 C TRP A 51 5.936 1.875 5.383 1.00 0.00 C ATOM 786 O TRP A 51 5.022 1.772 6.202 1.00 0.00 O ATOM 787 CB TRP A 51 7.495 3.715 6.100 1.00 0.00 C ATOM 788 CG TRP A 51 8.326 2.630 6.774 1.00 0.00 C ATOM 789 CD1 TRP A 51 9.315 1.892 6.245 1.00 0.00 C ATOM 790 CD2 TRP A 51 8.141 2.205 8.070 1.00 0.00 C ATOM 791 NE1 TRP A 51 9.760 1.025 7.148 1.00 0.00 N ATOM 792 CE2 TRP A 51 9.081 1.186 8.278 1.00 0.00 C ATOM 793 CE3 TRP A 51 7.277 2.630 9.106 1.00 0.00 C ATOM 794 CZ2 TRP A 51 9.182 0.575 9.531 1.00 0.00 C ATOM 795 CZ3 TRP A 51 7.391 2.036 10.369 1.00 0.00 C ATOM 796 CH2 TRP A 51 8.339 1.014 10.581 1.00 0.00 C ATOM 0 H TRP A 51 5.634 5.086 5.208 1.00 0.00 H new ATOM 0 HA TRP A 51 7.143 3.071 4.091 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.169 4.457 5.672 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.902 4.224 6.860 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.692 1.989 5.238 1.00 0.00 H new ATOM 0 HE1 TRP A 51 10.504 0.344 6.997 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.541 3.400 8.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.893 -0.221 9.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.754 2.360 11.179 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.423 0.560 11.557 1.00 0.00 H new ATOM 807 N PHE A 52 6.487 0.907 4.681 1.00 0.00 N ATOM 808 CA PHE A 52 6.106 -0.479 4.828 1.00 0.00 C ATOM 809 C PHE A 52 7.124 -1.152 5.711 1.00 0.00 C ATOM 810 O PHE A 52 8.202 -1.551 5.271 1.00 0.00 O ATOM 811 CB PHE A 52 6.027 -1.166 3.460 1.00 0.00 C ATOM 812 CG PHE A 52 5.502 -2.597 3.595 1.00 0.00 C ATOM 813 CD1 PHE A 52 4.400 -2.878 4.441 1.00 0.00 C ATOM 814 CD2 PHE A 52 6.017 -3.586 2.746 1.00 0.00 C ATOM 815 CE1 PHE A 52 3.752 -4.129 4.379 1.00 0.00 C ATOM 816 CE2 PHE A 52 5.399 -4.859 2.704 1.00 0.00 C ATOM 817 CZ PHE A 52 4.277 -5.104 3.515 1.00 0.00 C ATOM 0 H PHE A 52 7.218 1.063 3.987 1.00 0.00 H new ATOM 0 HA PHE A 52 5.118 -0.551 5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.373 -0.596 2.800 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.014 -1.179 2.998 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.054 -2.129 5.138 1.00 0.00 H new ATOM 0 HD2 PHE A 52 6.879 -3.379 2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.877 -4.332 4.979 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.785 -5.633 2.057 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.803 -6.074 3.472 1.00 0.00 H new ATOM 827 N THR A 53 6.708 -1.197 6.975 1.00 0.00 N ATOM 828 CA THR A 53 7.407 -1.954 8.026 1.00 0.00 C ATOM 829 C THR A 53 8.056 -3.219 7.470 1.00 0.00 C ATOM 830 O THR A 53 9.258 -3.408 7.570 1.00 0.00 O ATOM 831 CB THR A 53 6.464 -2.321 9.188 1.00 0.00 C ATOM 832 OG1 THR A 53 5.361 -3.098 8.726 1.00 0.00 O ATOM 833 CG2 THR A 53 5.888 -1.118 9.934 1.00 0.00 C ATOM 0 H THR A 53 5.875 -0.710 7.306 1.00 0.00 H new ATOM 0 HA THR A 53 8.190 -1.300 8.410 1.00 0.00 H new ATOM 0 HB THR A 53 7.094 -2.883 9.878 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.778 -3.320 9.482 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.236 -1.465 10.735 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.701 -0.529 10.358 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.315 -0.501 9.242 1.00 0.00 H new ATOM 841 N ASN A 54 7.256 -3.930 6.670 1.00 0.00 N ATOM 842 CA ASN A 54 7.611 -5.196 6.007 1.00 0.00 C ATOM 843 C ASN A 54 8.235 -6.164 7.029 1.00 0.00 C ATOM 844 O ASN A 54 9.215 -6.828 6.740 1.00 0.00 O ATOM 845 CB ASN A 54 8.581 -4.886 4.844 1.00 0.00 C ATOM 846 CG ASN A 54 8.691 -6.059 3.860 1.00 0.00 C ATOM 847 OD1 ASN A 54 7.717 -6.681 3.473 1.00 0.00 O ATOM 848 ND2 ASN A 54 9.893 -6.366 3.433 1.00 0.00 N ATOM 0 H ASN A 54 6.305 -3.631 6.456 1.00 0.00 H new ATOM 0 HA ASN A 54 6.723 -5.680 5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 54 8.238 -3.998 4.313 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.568 -4.656 5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.019 -7.132 2.771 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.702 -5.839 3.763 1.00 0.00 H new ATOM 855 N GLY A 55 7.818 -5.971 8.281 1.00 0.00 N ATOM 856 CA GLY A 55 8.345 -6.677 9.465 1.00 0.00 C ATOM 857 C GLY A 55 9.200 -5.755 10.342 1.00 0.00 C ATOM 858 O GLY A 55 9.113 -5.803 11.570 1.00 0.00 O ATOM 0 H GLY A 55 7.084 -5.302 8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.516 -7.071 10.052 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.942 -7.530 9.144 1.00 0.00 H new ATOM 862 N TYR A 56 10.065 -4.961 9.720 1.00 0.00 N ATOM 863 CA TYR A 56 10.983 -4.044 10.410 1.00 0.00 C ATOM 864 C TYR A 56 10.227 -2.872 11.052 1.00 0.00 C ATOM 865 O TYR A 56 9.240 -2.386 10.536 1.00 0.00 O ATOM 866 CB TYR A 56 11.988 -3.492 9.401 1.00 0.00 C ATOM 867 CG TYR A 56 12.688 -4.613 8.632 1.00 0.00 C ATOM 868 CD1 TYR A 56 13.845 -5.178 9.199 1.00 0.00 C ATOM 869 CD2 TYR A 56 12.242 -4.972 7.336 1.00 0.00 C ATOM 870 CE1 TYR A 56 14.596 -6.093 8.458 1.00 0.00 C ATOM 871 CE2 TYR A 56 13.018 -5.865 6.578 1.00 0.00 C ATOM 872 CZ TYR A 56 14.177 -6.420 7.148 1.00 0.00 C ATOM 873 OH TYR A 56 14.800 -7.463 6.542 1.00 0.00 O ATOM 0 H TYR A 56 10.154 -4.932 8.704 1.00 0.00 H new ATOM 0 HA TYR A 56 11.491 -4.599 11.199 1.00 0.00 H new ATOM 0 HB2 TYR A 56 11.476 -2.834 8.699 1.00 0.00 H new ATOM 0 HB3 TYR A 56 12.731 -2.887 9.921 1.00 0.00 H new ATOM 0 HD1 TYR A 56 14.150 -4.906 10.199 1.00 0.00 H new ATOM 0 HD2 TYR A 56 11.323 -4.567 6.938 1.00 0.00 H new ATOM 0 HE1 TYR A 56 15.483 -6.544 8.879 1.00 0.00 H new ATOM 0 HE2 TYR A 56 12.728 -6.122 5.570 1.00 0.00 H new ATOM 0 HH TYR A 56 14.714 -7.375 5.570 1.00 0.00 H new ATOM 883 N ASP A 57 10.741 -2.407 12.178 1.00 0.00 N ATOM 884 CA ASP A 57 10.164 -1.287 12.950 1.00 0.00 C ATOM 885 C ASP A 57 10.643 0.075 12.459 1.00 0.00 C ATOM 886 O ASP A 57 10.181 1.109 12.936 1.00 0.00 O ATOM 887 CB ASP A 57 10.536 -1.442 14.429 1.00 0.00 C ATOM 888 CG ASP A 57 9.347 -1.622 15.370 1.00 0.00 C ATOM 889 OD1 ASP A 57 8.254 -2.022 14.889 1.00 0.00 O ATOM 890 OD2 ASP A 57 9.570 -1.410 16.581 1.00 0.00 O ATOM 0 H ASP A 57 11.585 -2.794 12.600 1.00 0.00 H new ATOM 0 HA ASP A 57 9.083 -1.326 12.813 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.199 -2.301 14.535 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.100 -0.563 14.742 1.00 0.00 H new ATOM 895 N GLY A 58 11.581 0.029 11.525 1.00 0.00 N ATOM 896 CA GLY A 58 12.164 1.222 10.874 1.00 0.00 C ATOM 897 C GLY A 58 13.685 1.238 10.925 1.00 0.00 C ATOM 898 O GLY A 58 14.346 1.883 10.113 1.00 0.00 O ATOM 0 H GLY A 58 11.974 -0.848 11.183 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.840 1.258 9.834 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.779 2.119 11.359 1.00 0.00 H new ATOM 1029 N THR A 67 10.102 -11.601 10.557 1.00 0.00 N ATOM 1030 CA THR A 67 9.196 -12.157 9.527 1.00 0.00 C ATOM 1031 C THR A 67 8.931 -11.213 8.320 1.00 0.00 C ATOM 1032 O THR A 67 7.784 -10.946 7.948 1.00 0.00 O ATOM 1033 CB THR A 67 7.920 -12.724 10.199 1.00 0.00 C ATOM 1034 OG1 THR A 67 7.317 -13.636 9.287 1.00 0.00 O ATOM 1035 CG2 THR A 67 6.923 -11.663 10.687 1.00 0.00 C ATOM 0 HA THR A 67 9.712 -12.990 9.050 1.00 0.00 H new ATOM 0 HB THR A 67 8.222 -13.229 11.116 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.506 -14.012 9.689 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.063 -12.154 11.143 1.00 0.00 H new ATOM 0 HG22 THR A 67 7.406 -11.021 11.423 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.591 -11.060 9.842 1.00 0.00 H new ATOM 1043 N PRO A 68 9.989 -10.666 7.698 1.00 0.00 N ATOM 1044 CA PRO A 68 9.850 -9.724 6.596 1.00 0.00 C ATOM 1045 C PRO A 68 9.404 -10.460 5.347 1.00 0.00 C ATOM 1046 O PRO A 68 9.917 -11.531 5.021 1.00 0.00 O ATOM 1047 CB PRO A 68 11.213 -9.064 6.384 1.00 0.00 C ATOM 1048 CG PRO A 68 12.227 -9.937 7.128 1.00 0.00 C ATOM 1049 CD PRO A 68 11.413 -11.034 7.839 1.00 0.00 C ATOM 0 HA PRO A 68 9.100 -8.965 6.819 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.456 -9.003 5.323 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.217 -8.045 6.771 1.00 0.00 H new ATOM 0 HG2 PRO A 68 12.946 -10.374 6.435 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.795 -9.347 7.847 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.606 -12.010 7.393 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.692 -11.103 8.890 1.00 0.00 H new ATOM 1057 N ILE A 69 8.412 -9.875 4.693 1.00 0.00 N ATOM 1058 CA ILE A 69 7.919 -10.434 3.418 1.00 0.00 C ATOM 1059 C ILE A 69 9.067 -10.374 2.405 1.00 0.00 C ATOM 1060 O ILE A 69 9.615 -9.309 2.104 1.00 0.00 O ATOM 1061 CB ILE A 69 6.641 -9.732 2.950 1.00 0.00 C ATOM 1062 CG1 ILE A 69 5.500 -10.061 3.936 1.00 0.00 C ATOM 1063 CG2 ILE A 69 6.319 -10.163 1.515 1.00 0.00 C ATOM 1064 CD1 ILE A 69 4.141 -9.424 3.618 1.00 0.00 C ATOM 0 H ILE A 69 7.933 -9.030 5.006 1.00 0.00 H new ATOM 0 HA ILE A 69 7.623 -11.476 3.541 1.00 0.00 H new ATOM 0 HB ILE A 69 6.771 -8.650 2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.374 -11.143 3.969 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.804 -9.745 4.934 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.409 -9.664 1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.145 -9.889 0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.173 -11.243 1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.414 -9.722 4.374 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.239 -8.338 3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.803 -9.759 2.637 1.00 0.00 H new ATOM 1076 N LYS A 70 9.534 -11.564 2.075 1.00 0.00 N ATOM 1077 CA LYS A 70 10.584 -11.752 1.060 1.00 0.00 C ATOM 1078 C LYS A 70 9.941 -11.779 -0.331 1.00 0.00 C ATOM 1079 O LYS A 70 8.867 -12.319 -0.520 1.00 0.00 O ATOM 1080 CB LYS A 70 11.387 -13.040 1.321 1.00 0.00 C ATOM 1081 CG LYS A 70 10.483 -14.271 1.435 1.00 0.00 C ATOM 1082 CD LYS A 70 11.062 -15.448 0.674 1.00 0.00 C ATOM 1083 CE LYS A 70 10.061 -16.593 0.706 1.00 0.00 C ATOM 1084 NZ LYS A 70 10.774 -17.847 0.411 1.00 0.00 N ATOM 0 H LYS A 70 9.205 -12.433 2.495 1.00 0.00 H new ATOM 0 HA LYS A 70 11.285 -10.919 1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.103 -13.190 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.963 -12.928 2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.359 -14.538 2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.492 -14.035 1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.276 -15.163 -0.356 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.006 -15.759 1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.583 -16.650 1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.271 -16.426 -0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.102 -18.641 0.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.211 -17.785 -0.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.513 -18.003 1.126 1.00 0.00 H new ATOM 1098 N PHE A 71 10.612 -11.084 -1.240 1.00 0.00 N ATOM 1099 CA PHE A 71 10.151 -10.928 -2.637 1.00 0.00 C ATOM 1100 C PHE A 71 11.076 -11.654 -3.636 1.00 0.00 C ATOM 1101 O PHE A 71 10.655 -12.101 -4.702 1.00 0.00 O ATOM 1102 CB PHE A 71 10.085 -9.433 -2.983 1.00 0.00 C ATOM 1103 CG PHE A 71 9.141 -8.649 -2.059 1.00 0.00 C ATOM 1104 CD1 PHE A 71 9.592 -8.182 -0.803 1.00 0.00 C ATOM 1105 CD2 PHE A 71 7.830 -8.352 -2.503 1.00 0.00 C ATOM 1106 CE1 PHE A 71 8.735 -7.434 0.018 1.00 0.00 C ATOM 1107 CE2 PHE A 71 6.964 -7.601 -1.685 1.00 0.00 C ATOM 1108 CZ PHE A 71 7.416 -7.158 -0.423 1.00 0.00 C ATOM 0 H PHE A 71 11.492 -10.608 -1.042 1.00 0.00 H new ATOM 0 HA PHE A 71 9.163 -11.380 -2.719 1.00 0.00 H new ATOM 0 HB2 PHE A 71 11.086 -9.006 -2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.754 -9.318 -4.015 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.597 -8.401 -0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 71 7.494 -8.701 -3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 71 9.077 -7.072 0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.964 -7.366 -2.020 1.00 0.00 H new ATOM 0 HZ PHE A 71 6.747 -6.601 0.216 1.00 0.00 H new ATOM 1118 N GLY A 72 12.342 -11.748 -3.233 1.00 0.00 N ATOM 1119 CA GLY A 72 13.427 -12.351 -4.036 1.00 0.00 C ATOM 1120 C GLY A 72 14.534 -11.348 -4.380 1.00 0.00 C ATOM 1121 O GLY A 72 15.529 -11.691 -5.016 1.00 0.00 O ATOM 0 H GLY A 72 12.657 -11.404 -2.326 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.858 -13.188 -3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.010 -12.756 -4.958 1.00 0.00 H new ATOM 1125 N LYS A 73 14.411 -10.132 -3.856 1.00 0.00 N ATOM 1126 CA LYS A 73 15.440 -9.100 -4.014 1.00 0.00 C ATOM 1127 C LYS A 73 16.136 -8.904 -2.682 1.00 0.00 C ATOM 1128 O LYS A 73 15.522 -8.520 -1.684 1.00 0.00 O ATOM 1129 CB LYS A 73 14.796 -7.812 -4.528 1.00 0.00 C ATOM 1130 CG LYS A 73 14.806 -7.719 -6.054 1.00 0.00 C ATOM 1131 CD LYS A 73 16.170 -7.229 -6.532 1.00 0.00 C ATOM 1132 CE LYS A 73 16.261 -7.227 -8.052 1.00 0.00 C ATOM 1133 NZ LYS A 73 17.304 -8.173 -8.457 1.00 0.00 N ATOM 0 H LYS A 73 13.602 -9.832 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 73 16.188 -9.402 -4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.768 -7.757 -4.171 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.325 -6.954 -4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.587 -8.694 -6.489 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.025 -7.037 -6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 73 16.349 -6.222 -6.154 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.952 -7.867 -6.120 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.303 -7.509 -8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 73 16.495 -6.227 -8.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 17.379 -8.184 -9.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.214 -7.882 -8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.060 -9.125 -8.118 1.00 0.00 H new ATOM 1147 N SER A 74 17.430 -9.192 -2.687 1.00 0.00 N ATOM 1148 CA SER A 74 18.322 -8.977 -1.518 1.00 0.00 C ATOM 1149 C SER A 74 18.302 -7.518 -1.011 1.00 0.00 C ATOM 1150 O SER A 74 18.450 -7.253 0.176 1.00 0.00 O ATOM 1151 CB SER A 74 19.755 -9.387 -1.847 1.00 0.00 C ATOM 1152 OG SER A 74 20.204 -10.323 -0.867 1.00 0.00 O ATOM 0 H SER A 74 17.909 -9.584 -3.498 1.00 0.00 H new ATOM 0 HA SER A 74 17.935 -9.608 -0.718 1.00 0.00 H new ATOM 0 HB2 SER A 74 19.801 -9.831 -2.841 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.405 -8.512 -1.858 1.00 0.00 H new ATOM 0 HG SER A 74 21.124 -10.594 -1.071 1.00 0.00 H new ATOM 1158 N ASP A 75 17.892 -6.621 -1.925 1.00 0.00 N ATOM 1159 CA ASP A 75 17.639 -5.199 -1.642 1.00 0.00 C ATOM 1160 C ASP A 75 16.220 -4.942 -1.104 1.00 0.00 C ATOM 1161 O ASP A 75 15.985 -3.998 -0.369 1.00 0.00 O ATOM 1162 CB ASP A 75 17.848 -4.335 -2.890 1.00 0.00 C ATOM 1163 CG ASP A 75 19.297 -4.281 -3.351 1.00 0.00 C ATOM 1164 OD1 ASP A 75 20.159 -3.879 -2.549 1.00 0.00 O ATOM 1165 OD2 ASP A 75 19.513 -4.665 -4.529 1.00 0.00 O ATOM 0 H ASP A 75 17.724 -6.870 -2.900 1.00 0.00 H new ATOM 0 HA ASP A 75 18.359 -4.923 -0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.231 -4.724 -3.700 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.502 -3.322 -2.684 1.00 0.00 H new ATOM 1170 N CYS A 76 15.240 -5.734 -1.522 1.00 0.00 N ATOM 1171 CA CYS A 76 13.876 -5.633 -0.961 1.00 0.00 C ATOM 1172 C CYS A 76 13.767 -6.264 0.436 1.00 0.00 C ATOM 1173 O CYS A 76 12.980 -5.827 1.263 1.00 0.00 O ATOM 1174 CB CYS A 76 12.874 -6.292 -1.914 1.00 0.00 C ATOM 1175 SG CYS A 76 12.623 -5.314 -3.434 1.00 0.00 S ATOM 0 H CYS A 76 15.351 -6.450 -2.240 1.00 0.00 H new ATOM 0 HA CYS A 76 13.646 -4.573 -0.853 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.228 -7.288 -2.179 1.00 0.00 H new ATOM 0 HB3 CYS A 76 11.919 -6.419 -1.404 1.00 0.00 H new ATOM 1180 N ASP A 77 14.607 -7.266 0.680 1.00 0.00 N ATOM 1181 CA ASP A 77 14.755 -7.894 1.997 1.00 0.00 C ATOM 1182 C ASP A 77 15.667 -7.069 2.912 1.00 0.00 C ATOM 1183 O ASP A 77 15.654 -7.304 4.120 1.00 0.00 O ATOM 1184 CB ASP A 77 15.279 -9.336 1.861 1.00 0.00 C ATOM 1185 CG ASP A 77 15.578 -10.030 3.200 1.00 0.00 C ATOM 1186 OD1 ASP A 77 14.724 -9.927 4.108 1.00 0.00 O ATOM 1187 OD2 ASP A 77 16.666 -10.637 3.271 1.00 0.00 O ATOM 0 H ASP A 77 15.211 -7.671 -0.035 1.00 0.00 H new ATOM 0 HA ASP A 77 13.768 -7.930 2.458 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.544 -9.927 1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 77 16.188 -9.324 1.260 1.00 0.00 H new ATOM 1192 N ARG A 78 16.478 -6.180 2.354 1.00 0.00 N ATOM 1193 CA ARG A 78 17.410 -5.334 3.125 1.00 0.00 C ATOM 1194 C ARG A 78 16.707 -4.631 4.305 1.00 0.00 C ATOM 1195 O ARG A 78 15.488 -4.418 4.236 1.00 0.00 O ATOM 1196 CB ARG A 78 18.064 -4.329 2.158 1.00 0.00 C ATOM 1197 CG ARG A 78 17.344 -2.975 2.077 1.00 0.00 C ATOM 1198 CD ARG A 78 17.887 -2.094 0.958 1.00 0.00 C ATOM 1199 NE ARG A 78 19.277 -1.706 1.251 1.00 0.00 N ATOM 1200 CZ ARG A 78 20.068 -1.034 0.416 1.00 0.00 C ATOM 1201 NH1 ARG A 78 19.669 -0.750 -0.818 1.00 0.00 N ATOM 1202 NH2 ARG A 78 21.270 -0.680 0.815 1.00 0.00 N ATOM 0 H ARG A 78 16.516 -6.016 1.348 1.00 0.00 H new ATOM 0 HA ARG A 78 18.183 -5.958 3.574 1.00 0.00 H new ATOM 0 HB2 ARG A 78 19.095 -4.162 2.468 1.00 0.00 H new ATOM 0 HB3 ARG A 78 18.098 -4.770 1.162 1.00 0.00 H new ATOM 0 HG2 ARG A 78 16.278 -3.142 1.920 1.00 0.00 H new ATOM 0 HG3 ARG A 78 17.448 -2.454 3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 78 17.842 -2.629 0.009 1.00 0.00 H new ATOM 0 HD3 ARG A 78 17.267 -1.204 0.852 1.00 0.00 H new ATOM 0 HE ARG A 78 19.662 -1.971 2.158 1.00 0.00 H new ATOM 0 HH11 ARG A 78 18.747 -1.047 -1.137 1.00 0.00 H new ATOM 0 HH12 ARG A 78 20.285 -0.235 -1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.587 -0.920 1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 78 21.885 -0.165 0.185 1.00 0.00 H new ATOM 1216 N PRO A 79 17.463 -4.192 5.314 1.00 0.00 N ATOM 1217 CA PRO A 79 16.904 -3.407 6.423 1.00 0.00 C ATOM 1218 C PRO A 79 16.559 -1.968 5.975 1.00 0.00 C ATOM 1219 O PRO A 79 17.433 -1.235 5.535 1.00 0.00 O ATOM 1220 CB PRO A 79 17.943 -3.477 7.539 1.00 0.00 C ATOM 1221 CG PRO A 79 19.260 -3.681 6.794 1.00 0.00 C ATOM 1222 CD PRO A 79 18.892 -4.510 5.560 1.00 0.00 C ATOM 0 HA PRO A 79 15.953 -3.805 6.779 1.00 0.00 H new ATOM 0 HB2 PRO A 79 17.956 -2.563 8.132 1.00 0.00 H new ATOM 0 HB3 PRO A 79 17.739 -4.299 8.225 1.00 0.00 H new ATOM 0 HG2 PRO A 79 19.705 -2.727 6.511 1.00 0.00 H new ATOM 0 HG3 PRO A 79 19.989 -4.201 7.416 1.00 0.00 H new ATOM 0 HD2 PRO A 79 19.511 -4.244 4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 79 19.037 -5.575 5.739 1.00 0.00 H new ATOM 1230 N PRO A 80 15.262 -1.623 6.003 1.00 0.00 N ATOM 1231 CA PRO A 80 14.747 -0.318 5.601 1.00 0.00 C ATOM 1232 C PRO A 80 15.066 0.704 6.687 1.00 0.00 C ATOM 1233 O PRO A 80 14.578 0.609 7.814 1.00 0.00 O ATOM 1234 CB PRO A 80 13.237 -0.532 5.428 1.00 0.00 C ATOM 1235 CG PRO A 80 12.859 -1.670 6.361 1.00 0.00 C ATOM 1236 CD PRO A 80 14.154 -2.490 6.424 1.00 0.00 C ATOM 0 HA PRO A 80 15.190 0.064 4.681 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.685 0.374 5.676 1.00 0.00 H new ATOM 0 HB3 PRO A 80 12.995 -0.780 4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.560 -1.307 7.344 1.00 0.00 H new ATOM 0 HG3 PRO A 80 12.026 -2.255 5.971 1.00 0.00 H new ATOM 0 HD2 PRO A 80 14.322 -2.859 7.436 1.00 0.00 H new ATOM 0 HD3 PRO A 80 14.085 -3.362 5.774 1.00 0.00 H new ATOM 1244 N LYS A 81 15.971 1.610 6.325 1.00 0.00 N ATOM 1245 CA LYS A 81 16.435 2.646 7.258 1.00 0.00 C ATOM 1246 C LYS A 81 15.439 3.815 7.273 1.00 0.00 C ATOM 1247 O LYS A 81 15.617 4.865 6.655 1.00 0.00 O ATOM 1248 CB LYS A 81 17.856 3.058 6.857 1.00 0.00 C ATOM 1249 CG LYS A 81 18.680 3.459 8.083 1.00 0.00 C ATOM 1250 CD LYS A 81 20.084 2.844 7.974 1.00 0.00 C ATOM 1251 CE LYS A 81 20.989 3.240 9.136 1.00 0.00 C ATOM 1252 NZ LYS A 81 21.501 4.603 8.955 1.00 0.00 N ATOM 0 H LYS A 81 16.398 1.652 5.400 1.00 0.00 H new ATOM 0 HA LYS A 81 16.478 2.271 8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 81 18.345 2.232 6.340 1.00 0.00 H new ATOM 0 HB3 LYS A 81 17.812 3.891 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 81 18.750 4.545 8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 81 18.189 3.115 8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 81 19.999 1.758 7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 81 20.543 3.159 7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 81 20.435 3.176 10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 81 21.822 2.540 9.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 22.115 4.853 9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 22.048 4.654 8.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 20.704 5.270 8.908 1.00 0.00 H new ATOM 1266 N HIS A 82 14.312 3.533 7.903 1.00 0.00 N ATOM 1267 CA HIS A 82 13.215 4.501 8.072 1.00 0.00 C ATOM 1268 C HIS A 82 13.538 5.416 9.259 1.00 0.00 C ATOM 1269 O HIS A 82 13.862 4.974 10.364 1.00 0.00 O ATOM 1270 CB HIS A 82 11.888 3.764 8.271 1.00 0.00 C ATOM 1271 CG HIS A 82 10.747 4.677 8.701 1.00 0.00 C ATOM 1272 ND1 HIS A 82 10.403 4.931 9.957 1.00 0.00 N ATOM 1273 CD2 HIS A 82 9.928 5.359 7.915 1.00 0.00 C ATOM 1274 CE1 HIS A 82 9.352 5.744 9.952 1.00 0.00 C ATOM 1275 NE2 HIS A 82 9.070 6.006 8.689 1.00 0.00 N ATOM 0 H HIS A 82 14.120 2.622 8.319 1.00 0.00 H new ATOM 0 HA HIS A 82 13.114 5.115 7.177 1.00 0.00 H new ATOM 0 HB2 HIS A 82 11.614 3.266 7.341 1.00 0.00 H new ATOM 0 HB3 HIS A 82 12.023 2.985 9.021 1.00 0.00 H new ATOM 0 HD2 HIS A 82 9.955 5.383 6.836 1.00 0.00 H new ATOM 0 HE1 HIS A 82 8.827 6.120 10.818 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.314 6.609 8.363 1.00 0.00 H new ATOM 1284 N SER A 83 13.410 6.712 8.972 1.00 0.00 N ATOM 1285 CA SER A 83 13.699 7.761 9.959 1.00 0.00 C ATOM 1286 C SER A 83 12.396 8.242 10.629 1.00 0.00 C ATOM 1287 O SER A 83 11.487 7.458 10.813 1.00 0.00 O ATOM 1288 CB SER A 83 14.499 8.875 9.268 1.00 0.00 C ATOM 1289 OG SER A 83 14.959 9.797 10.262 1.00 0.00 O ATOM 0 H SER A 83 13.108 7.064 8.064 1.00 0.00 H new ATOM 0 HA SER A 83 14.315 7.378 10.773 1.00 0.00 H new ATOM 0 HB2 SER A 83 15.344 8.452 8.726 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.876 9.389 8.536 1.00 0.00 H new ATOM 0 HG SER A 83 15.473 10.512 9.832 1.00 0.00 H new ATOM 1295 N LYS A 84 12.298 9.508 11.018 1.00 0.00 N ATOM 1296 CA LYS A 84 11.074 10.059 11.628 1.00 0.00 C ATOM 1297 C LYS A 84 9.889 10.123 10.645 1.00 0.00 C ATOM 1298 O LYS A 84 8.943 9.344 10.733 1.00 0.00 O ATOM 1299 CB LYS A 84 11.414 11.425 12.228 1.00 0.00 C ATOM 1300 CG LYS A 84 11.370 11.434 13.751 1.00 0.00 C ATOM 1301 CD LYS A 84 9.935 11.630 14.255 1.00 0.00 C ATOM 1302 CE LYS A 84 9.345 10.403 14.952 1.00 0.00 C ATOM 1303 NZ LYS A 84 9.643 10.432 16.393 1.00 0.00 N ATOM 0 H LYS A 84 13.055 10.185 10.924 1.00 0.00 H new ATOM 0 HA LYS A 84 10.735 9.388 12.417 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.409 11.724 11.897 1.00 0.00 H new ATOM 0 HB3 LYS A 84 10.714 12.168 11.845 1.00 0.00 H new ATOM 0 HG2 LYS A 84 11.770 10.496 14.136 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.006 12.233 14.133 1.00 0.00 H new ATOM 0 HD2 LYS A 84 9.916 12.472 14.947 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.298 11.897 13.411 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.266 10.375 14.799 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.754 9.495 14.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.235 9.591 16.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.673 10.436 16.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 9.232 11.289 16.815 1.00 0.00 H new ATOM 1317 N ASP A 85 10.115 10.864 9.568 1.00 0.00 N ATOM 1318 CA ASP A 85 9.146 11.036 8.465 1.00 0.00 C ATOM 1319 C ASP A 85 9.551 10.225 7.220 1.00 0.00 C ATOM 1320 O ASP A 85 9.151 10.505 6.097 1.00 0.00 O ATOM 1321 CB ASP A 85 8.886 12.540 8.164 1.00 0.00 C ATOM 1322 CG ASP A 85 9.841 13.598 8.759 1.00 0.00 C ATOM 1323 OD1 ASP A 85 10.089 13.545 9.987 1.00 0.00 O ATOM 1324 OD2 ASP A 85 10.262 14.507 8.019 1.00 0.00 O ATOM 0 H ASP A 85 10.986 11.375 9.423 1.00 0.00 H new ATOM 0 HA ASP A 85 8.191 10.624 8.790 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.890 12.665 7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.879 12.775 8.508 1.00 0.00 H new ATOM 1329 N GLY A 86 10.380 9.200 7.476 1.00 0.00 N ATOM 1330 CA GLY A 86 11.006 8.344 6.451 1.00 0.00 C ATOM 1331 C GLY A 86 11.594 9.149 5.279 1.00 0.00 C ATOM 1332 O GLY A 86 11.248 8.941 4.123 1.00 0.00 O ATOM 0 H GLY A 86 10.641 8.936 8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.797 7.752 6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.265 7.642 6.068 1.00 0.00 H new ATOM 1336 N ASN A 87 12.349 10.183 5.658 1.00 0.00 N ATOM 1337 CA ASN A 87 12.938 11.158 4.720 1.00 0.00 C ATOM 1338 C ASN A 87 14.161 11.835 5.364 1.00 0.00 C ATOM 1339 O ASN A 87 14.122 12.930 5.922 1.00 0.00 O ATOM 1340 CB ASN A 87 11.877 12.175 4.283 1.00 0.00 C ATOM 1341 CG ASN A 87 11.340 13.010 5.459 1.00 0.00 C ATOM 1342 OD1 ASN A 87 11.545 12.705 6.630 1.00 0.00 O ATOM 1343 ND2 ASN A 87 10.690 14.107 5.147 1.00 0.00 N ATOM 0 H ASN A 87 12.575 10.374 6.634 1.00 0.00 H new ATOM 0 HA ASN A 87 13.283 10.643 3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 87 12.304 12.842 3.534 1.00 0.00 H new ATOM 0 HB3 ASN A 87 11.049 11.649 3.807 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.346 14.723 5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 87 10.529 14.344 4.168 1.00 0.00 H new ATOM 1350 N GLY A 88 15.230 11.059 5.408 1.00 0.00 N ATOM 1351 CA GLY A 88 16.511 11.487 5.998 1.00 0.00 C ATOM 1352 C GLY A 88 17.563 11.610 4.910 1.00 0.00 C ATOM 1353 O GLY A 88 17.271 11.904 3.751 1.00 0.00 O ATOM 0 H GLY A 88 15.246 10.109 5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 88 16.386 12.443 6.506 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.834 10.767 6.750 1.00 0.00 H new ATOM 1357 N LYS A 89 18.757 11.191 5.302 1.00 0.00 N ATOM 1358 CA LYS A 89 19.912 11.162 4.397 1.00 0.00 C ATOM 1359 C LYS A 89 19.783 10.009 3.382 1.00 0.00 C ATOM 1360 O LYS A 89 19.532 10.228 2.203 1.00 0.00 O ATOM 1361 CB LYS A 89 21.216 11.070 5.204 1.00 0.00 C ATOM 1362 CG LYS A 89 22.456 11.359 4.358 1.00 0.00 C ATOM 1363 CD LYS A 89 22.356 12.754 3.745 1.00 0.00 C ATOM 1364 CE LYS A 89 23.675 13.521 3.889 1.00 0.00 C ATOM 1365 NZ LYS A 89 23.349 14.916 4.165 1.00 0.00 N ATOM 0 H LYS A 89 18.959 10.863 6.246 1.00 0.00 H new ATOM 0 HA LYS A 89 19.938 12.091 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 89 21.175 11.775 6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 89 21.301 10.073 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 89 23.352 11.287 4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 89 22.551 10.612 3.570 1.00 0.00 H new ATOM 0 HD2 LYS A 89 22.094 12.672 2.690 1.00 0.00 H new ATOM 0 HD3 LYS A 89 21.554 13.310 4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 89 24.275 13.102 4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 89 24.266 13.440 2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 24.227 15.464 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 22.789 15.304 3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 22.798 14.976 5.045 1.00 0.00 H new ATOM 1379 N THR A 90 19.823 8.797 3.919 1.00 0.00 N ATOM 1380 CA THR A 90 19.747 7.564 3.126 1.00 0.00 C ATOM 1381 C THR A 90 18.593 6.706 3.640 1.00 0.00 C ATOM 1382 O THR A 90 18.768 5.580 4.104 1.00 0.00 O ATOM 1383 CB THR A 90 21.087 6.838 3.233 1.00 0.00 C ATOM 1384 OG1 THR A 90 21.530 6.876 4.599 1.00 0.00 O ATOM 1385 CG2 THR A 90 22.127 7.448 2.288 1.00 0.00 C ATOM 0 H THR A 90 19.909 8.634 4.922 1.00 0.00 H new ATOM 0 HA THR A 90 19.555 7.783 2.076 1.00 0.00 H new ATOM 0 HB THR A 90 20.960 5.799 2.928 1.00 0.00 H new ATOM 0 HG1 THR A 90 22.389 6.411 4.677 1.00 0.00 H new ATOM 0 HG21 THR A 90 23.069 6.909 2.388 1.00 0.00 H new ATOM 0 HG22 THR A 90 21.773 7.373 1.260 1.00 0.00 H new ATOM 0 HG23 THR A 90 22.280 8.497 2.543 1.00 0.00 H new ATOM 1393 N ASP A 91 17.431 7.347 3.667 1.00 0.00 N ATOM 1394 CA ASP A 91 16.158 6.711 4.086 1.00 0.00 C ATOM 1395 C ASP A 91 15.732 5.628 3.082 1.00 0.00 C ATOM 1396 O ASP A 91 14.679 5.732 2.466 1.00 0.00 O ATOM 1397 CB ASP A 91 15.065 7.767 4.312 1.00 0.00 C ATOM 1398 CG ASP A 91 14.839 8.719 3.125 1.00 0.00 C ATOM 1399 OD1 ASP A 91 15.776 9.491 2.861 1.00 0.00 O ATOM 1400 OD2 ASP A 91 13.715 8.735 2.591 1.00 0.00 O ATOM 0 H ASP A 91 17.330 8.326 3.401 1.00 0.00 H new ATOM 0 HA ASP A 91 16.316 6.212 5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.127 7.258 4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.325 8.358 5.190 1.00 0.00 H new ATOM 1405 N HIS A 92 16.544 4.598 2.932 1.00 0.00 N ATOM 1406 CA HIS A 92 16.316 3.527 1.945 1.00 0.00 C ATOM 1407 C HIS A 92 15.341 2.483 2.513 1.00 0.00 C ATOM 1408 O HIS A 92 15.653 1.323 2.807 1.00 0.00 O ATOM 1409 CB HIS A 92 17.649 2.956 1.439 1.00 0.00 C ATOM 1410 CG HIS A 92 18.446 2.167 2.473 1.00 0.00 C ATOM 1411 ND1 HIS A 92 18.343 0.852 2.679 1.00 0.00 N ATOM 1412 CD2 HIS A 92 19.333 2.636 3.348 1.00 0.00 C ATOM 1413 CE1 HIS A 92 19.138 0.513 3.671 1.00 0.00 C ATOM 1414 NE2 HIS A 92 19.752 1.613 4.089 1.00 0.00 N ATOM 0 H HIS A 92 17.389 4.468 3.489 1.00 0.00 H new ATOM 0 HA HIS A 92 15.830 3.933 1.058 1.00 0.00 H new ATOM 0 HB2 HIS A 92 17.449 2.309 0.585 1.00 0.00 H new ATOM 0 HB3 HIS A 92 18.266 3.779 1.078 1.00 0.00 H new ATOM 0 HD2 HIS A 92 19.655 3.663 3.440 1.00 0.00 H new ATOM 0 HE1 HIS A 92 19.268 -0.481 4.073 1.00 0.00 H new ATOM 0 HE2 HIS A 92 20.430 1.665 4.849 1.00 0.00 H new ATOM 1423 N TYR A 93 14.150 2.977 2.751 1.00 0.00 N ATOM 1424 CA TYR A 93 13.070 2.159 3.333 1.00 0.00 C ATOM 1425 C TYR A 93 12.187 1.501 2.278 1.00 0.00 C ATOM 1426 O TYR A 93 12.239 1.860 1.096 1.00 0.00 O ATOM 1427 CB TYR A 93 12.303 2.942 4.398 1.00 0.00 C ATOM 1428 CG TYR A 93 11.490 4.100 3.818 1.00 0.00 C ATOM 1429 CD1 TYR A 93 12.141 5.302 3.531 1.00 0.00 C ATOM 1430 CD2 TYR A 93 10.123 3.910 3.561 1.00 0.00 C ATOM 1431 CE1 TYR A 93 11.433 6.339 2.904 1.00 0.00 C ATOM 1432 CE2 TYR A 93 9.396 4.972 3.000 1.00 0.00 C ATOM 1433 CZ TYR A 93 10.068 6.159 2.650 1.00 0.00 C ATOM 1434 OH TYR A 93 9.396 7.142 2.006 1.00 0.00 O ATOM 0 H TYR A 93 13.886 3.943 2.556 1.00 0.00 H new ATOM 0 HA TYR A 93 13.532 1.317 3.849 1.00 0.00 H new ATOM 0 HB2 TYR A 93 11.633 2.264 4.927 1.00 0.00 H new ATOM 0 HB3 TYR A 93 13.008 3.332 5.132 1.00 0.00 H new ATOM 0 HD1 TYR A 93 13.181 5.432 3.790 1.00 0.00 H new ATOM 0 HD2 TYR A 93 9.642 2.970 3.789 1.00 0.00 H new ATOM 0 HE1 TYR A 93 11.930 7.256 2.624 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.332 4.880 2.839 1.00 0.00 H new ATOM 0 HH TYR A 93 9.798 7.289 1.124 1.00 0.00 H new ATOM 1444 N LEU A 94 11.434 0.510 2.726 1.00 0.00 N ATOM 1445 CA LEU A 94 10.443 -0.146 1.858 1.00 0.00 C ATOM 1446 C LEU A 94 9.095 0.547 2.024 1.00 0.00 C ATOM 1447 O LEU A 94 8.643 0.712 3.150 1.00 0.00 O ATOM 1448 CB LEU A 94 10.288 -1.644 2.166 1.00 0.00 C ATOM 1449 CG LEU A 94 11.031 -2.512 1.149 1.00 0.00 C ATOM 1450 CD1 LEU A 94 10.606 -3.964 1.327 1.00 0.00 C ATOM 1451 CD2 LEU A 94 10.617 -2.206 -0.280 1.00 0.00 C ATOM 0 H LEU A 94 11.481 0.138 3.674 1.00 0.00 H new ATOM 0 HA LEU A 94 10.799 -0.061 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.668 -1.851 3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 94 9.230 -1.908 2.165 1.00 0.00 H new ATOM 0 HG LEU A 94 12.092 -2.324 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 94 11.132 -4.588 0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.850 -4.293 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.531 -4.051 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 94 11.172 -2.847 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.549 -2.389 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 94 10.833 -1.162 -0.506 1.00 0.00 H new ATOM 1463 N LEU A 95 8.676 1.216 0.961 1.00 0.00 N ATOM 1464 CA LEU A 95 7.383 1.940 0.933 1.00 0.00 C ATOM 1465 C LEU A 95 6.321 1.046 0.282 1.00 0.00 C ATOM 1466 O LEU A 95 6.631 0.066 -0.415 1.00 0.00 O ATOM 1467 CB LEU A 95 7.422 3.278 0.158 1.00 0.00 C ATOM 1468 CG LEU A 95 8.806 3.883 -0.091 1.00 0.00 C ATOM 1469 CD1 LEU A 95 9.580 3.194 -1.187 1.00 0.00 C ATOM 1470 CD2 LEU A 95 8.666 5.348 -0.468 1.00 0.00 C ATOM 0 H LEU A 95 9.207 1.282 0.092 1.00 0.00 H new ATOM 0 HA LEU A 95 7.148 2.176 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.937 3.128 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.824 4.007 0.705 1.00 0.00 H new ATOM 0 HG LEU A 95 9.359 3.754 0.839 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.550 3.677 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.726 2.146 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 95 9.024 3.260 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.654 5.774 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.066 5.435 -1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.178 5.887 0.343 1.00 0.00 H new ATOM 1482 N GLU A 96 5.069 1.390 0.557 1.00 0.00 N ATOM 1483 CA GLU A 96 3.915 0.685 -0.003 1.00 0.00 C ATOM 1484 C GLU A 96 2.826 1.632 -0.505 1.00 0.00 C ATOM 1485 O GLU A 96 2.700 2.760 -0.037 1.00 0.00 O ATOM 1486 CB GLU A 96 3.345 -0.300 1.021 1.00 0.00 C ATOM 1487 CG GLU A 96 2.773 0.417 2.220 1.00 0.00 C ATOM 1488 CD GLU A 96 2.698 -0.405 3.498 1.00 0.00 C ATOM 1489 OE1 GLU A 96 2.170 -1.527 3.433 1.00 0.00 O ATOM 1490 OE2 GLU A 96 3.188 0.097 4.520 1.00 0.00 O ATOM 0 H GLU A 96 4.822 2.164 1.173 1.00 0.00 H new ATOM 0 HA GLU A 96 4.272 0.134 -0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 96 2.568 -0.904 0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.129 -0.984 1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.376 1.304 2.414 1.00 0.00 H new ATOM 0 HG3 GLU A 96 1.770 0.762 1.971 1.00 0.00 H new ATOM 1497 N PHE A 97 1.969 1.074 -1.353 1.00 0.00 N ATOM 1498 CA PHE A 97 0.884 1.835 -1.975 1.00 0.00 C ATOM 1499 C PHE A 97 -0.330 0.942 -2.280 1.00 0.00 C ATOM 1500 O PHE A 97 -0.122 -0.165 -2.794 1.00 0.00 O ATOM 1501 CB PHE A 97 1.448 2.430 -3.276 1.00 0.00 C ATOM 1502 CG PHE A 97 0.489 3.414 -3.933 1.00 0.00 C ATOM 1503 CD1 PHE A 97 -0.684 2.957 -4.591 1.00 0.00 C ATOM 1504 CD2 PHE A 97 0.713 4.782 -3.706 1.00 0.00 C ATOM 1505 CE1 PHE A 97 -1.673 3.879 -4.971 1.00 0.00 C ATOM 1506 CE2 PHE A 97 -0.252 5.708 -4.142 1.00 0.00 C ATOM 1507 CZ PHE A 97 -1.441 5.251 -4.762 1.00 0.00 C ATOM 0 H PHE A 97 2.003 0.092 -1.628 1.00 0.00 H new ATOM 0 HA PHE A 97 0.536 2.615 -1.298 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.390 2.934 -3.062 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.670 1.623 -3.974 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.815 1.905 -4.798 1.00 0.00 H new ATOM 0 HD2 PHE A 97 1.610 5.117 -3.206 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.597 3.540 -5.416 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.087 6.766 -4.004 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.183 5.969 -5.080 1.00 0.00 H new ATOM 1517 N PRO A 98 -1.565 1.425 -2.054 1.00 0.00 N ATOM 1518 CA PRO A 98 -2.810 0.694 -2.381 1.00 0.00 C ATOM 1519 C PRO A 98 -3.025 0.554 -3.889 1.00 0.00 C ATOM 1520 O PRO A 98 -3.538 1.434 -4.561 1.00 0.00 O ATOM 1521 CB PRO A 98 -3.922 1.457 -1.667 1.00 0.00 C ATOM 1522 CG PRO A 98 -3.377 2.885 -1.635 1.00 0.00 C ATOM 1523 CD PRO A 98 -1.886 2.687 -1.365 1.00 0.00 C ATOM 0 HA PRO A 98 -2.778 -0.341 -2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -4.867 1.396 -2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -4.101 1.069 -0.664 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -3.550 3.403 -2.579 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -3.852 3.479 -0.854 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -1.296 3.516 -1.755 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -1.679 2.623 -0.297 1.00 0.00 H new ATOM 1531 N THR A 99 -2.441 -0.517 -4.418 1.00 0.00 N ATOM 1532 CA THR A 99 -2.527 -0.832 -5.849 1.00 0.00 C ATOM 1533 C THR A 99 -3.864 -1.526 -6.143 1.00 0.00 C ATOM 1534 O THR A 99 -4.232 -2.480 -5.457 1.00 0.00 O ATOM 1535 CB THR A 99 -1.337 -1.653 -6.358 1.00 0.00 C ATOM 1536 OG1 THR A 99 -1.423 -1.703 -7.783 1.00 0.00 O ATOM 1537 CG2 THR A 99 -1.206 -3.064 -5.779 1.00 0.00 C ATOM 0 H THR A 99 -1.898 -1.189 -3.876 1.00 0.00 H new ATOM 0 HA THR A 99 -2.483 0.109 -6.398 1.00 0.00 H new ATOM 0 HB THR A 99 -0.435 -1.147 -6.013 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.671 -2.222 -8.138 1.00 0.00 H new ATOM 0 HG21 THR A 99 -0.332 -3.553 -6.208 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.094 -3.004 -4.696 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.099 -3.641 -6.020 1.00 0.00 H new ATOM 1545 N PHE A 100 -4.686 -0.820 -6.902 1.00 0.00 N ATOM 1546 CA PHE A 100 -6.036 -1.295 -7.276 1.00 0.00 C ATOM 1547 C PHE A 100 -6.029 -2.180 -8.536 1.00 0.00 C ATOM 1548 O PHE A 100 -5.189 -1.943 -9.404 1.00 0.00 O ATOM 1549 CB PHE A 100 -6.962 -0.076 -7.452 1.00 0.00 C ATOM 1550 CG PHE A 100 -7.333 0.512 -6.097 1.00 0.00 C ATOM 1551 CD1 PHE A 100 -6.360 1.241 -5.379 1.00 0.00 C ATOM 1552 CD2 PHE A 100 -8.655 0.413 -5.596 1.00 0.00 C ATOM 1553 CE1 PHE A 100 -6.701 1.857 -4.160 1.00 0.00 C ATOM 1554 CE2 PHE A 100 -9.017 1.089 -4.419 1.00 0.00 C ATOM 1555 CZ PHE A 100 -8.031 1.817 -3.707 1.00 0.00 C ATOM 0 H PHE A 100 -4.451 0.097 -7.282 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.410 -1.930 -6.473 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -6.466 0.681 -8.060 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -7.865 -0.372 -7.986 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.355 1.326 -5.765 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -9.386 -0.184 -6.121 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -5.944 2.358 -3.575 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -10.035 1.054 -4.061 1.00 0.00 H new ATOM 0 HZ PHE A 100 -8.305 2.347 -2.807 1.00 0.00 H new ATOM 1565 N PRO A 101 -6.959 -3.141 -8.653 1.00 0.00 N ATOM 1566 CA PRO A 101 -7.008 -4.063 -9.802 1.00 0.00 C ATOM 1567 C PRO A 101 -7.567 -3.413 -11.060 1.00 0.00 C ATOM 1568 O PRO A 101 -6.942 -3.529 -12.104 1.00 0.00 O ATOM 1569 CB PRO A 101 -7.853 -5.248 -9.330 1.00 0.00 C ATOM 1570 CG PRO A 101 -8.785 -4.657 -8.276 1.00 0.00 C ATOM 1571 CD PRO A 101 -8.027 -3.469 -7.678 1.00 0.00 C ATOM 0 HA PRO A 101 -6.007 -4.377 -10.098 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.414 -5.688 -10.154 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.230 -6.038 -8.911 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.727 -4.337 -8.721 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.028 -5.393 -7.510 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.691 -2.618 -7.524 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.605 -3.724 -6.706 1.00 0.00 H new ATOM 1579 N ASP A 102 -8.599 -2.571 -10.868 1.00 0.00 N ATOM 1580 CA ASP A 102 -9.199 -1.722 -11.929 1.00 0.00 C ATOM 1581 C ASP A 102 -8.149 -1.045 -12.819 1.00 0.00 C ATOM 1582 O ASP A 102 -8.393 -0.789 -13.986 1.00 0.00 O ATOM 1583 CB ASP A 102 -10.065 -0.626 -11.324 1.00 0.00 C ATOM 1584 CG ASP A 102 -11.553 -0.959 -11.333 1.00 0.00 C ATOM 1585 OD1 ASP A 102 -11.895 -2.065 -10.851 1.00 0.00 O ATOM 1586 OD2 ASP A 102 -12.320 -0.071 -11.761 1.00 0.00 O ATOM 0 H ASP A 102 -9.050 -2.455 -9.961 1.00 0.00 H new ATOM 0 HA ASP A 102 -9.796 -2.400 -12.540 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -9.746 -0.446 -10.297 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -9.904 0.301 -11.875 1.00 0.00 H new ATOM 1591 N GLY A 103 -7.030 -0.720 -12.183 1.00 0.00 N ATOM 1592 CA GLY A 103 -5.904 -0.088 -12.878 1.00 0.00 C ATOM 1593 C GLY A 103 -5.919 1.425 -12.674 1.00 0.00 C ATOM 1594 O GLY A 103 -5.126 2.151 -13.279 1.00 0.00 O ATOM 0 H GLY A 103 -6.873 -0.881 -11.188 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -4.965 -0.500 -12.508 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -5.954 -0.316 -13.943 1.00 0.00 H new ATOM 1598 N HIS A 104 -6.704 1.854 -11.690 1.00 0.00 N ATOM 1599 CA HIS A 104 -6.780 3.271 -11.323 1.00 0.00 C ATOM 1600 C HIS A 104 -5.757 3.586 -10.237 1.00 0.00 C ATOM 1601 O HIS A 104 -5.427 2.780 -9.363 1.00 0.00 O ATOM 1602 CB HIS A 104 -8.212 3.661 -10.929 1.00 0.00 C ATOM 1603 CG HIS A 104 -8.688 3.063 -9.599 1.00 0.00 C ATOM 1604 ND1 HIS A 104 -9.593 2.106 -9.442 1.00 0.00 N ATOM 1605 CD2 HIS A 104 -8.385 3.538 -8.389 1.00 0.00 C ATOM 1606 CE1 HIS A 104 -9.867 1.998 -8.159 1.00 0.00 C ATOM 1607 NE2 HIS A 104 -9.099 2.865 -7.495 1.00 0.00 N ATOM 0 H HIS A 104 -7.298 1.243 -11.130 1.00 0.00 H new ATOM 0 HA HIS A 104 -6.527 3.882 -12.190 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -8.276 4.747 -10.869 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -8.892 3.345 -11.720 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -7.683 4.330 -8.175 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -10.588 1.325 -7.720 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -9.067 2.988 -6.483 1.00 0.00 H new ATOM 1616 N ASP A 105 -5.361 4.838 -10.273 1.00 0.00 N ATOM 1617 CA ASP A 105 -4.430 5.405 -9.296 1.00 0.00 C ATOM 1618 C ASP A 105 -5.222 6.172 -8.235 1.00 0.00 C ATOM 1619 O ASP A 105 -5.472 7.369 -8.378 1.00 0.00 O ATOM 1620 CB ASP A 105 -3.381 6.306 -9.987 1.00 0.00 C ATOM 1621 CG ASP A 105 -3.850 6.991 -11.273 1.00 0.00 C ATOM 1622 OD1 ASP A 105 -4.964 7.569 -11.272 1.00 0.00 O ATOM 1623 OD2 ASP A 105 -3.186 6.735 -12.297 1.00 0.00 O ATOM 0 H ASP A 105 -5.672 5.504 -10.981 1.00 0.00 H new ATOM 0 HA ASP A 105 -3.881 4.599 -8.809 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -3.065 7.074 -9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.503 5.702 -10.216 1.00 0.00 H new ATOM 1628 N TYR A 106 -5.752 5.398 -7.289 1.00 0.00 N ATOM 1629 CA TYR A 106 -6.474 5.948 -6.121 1.00 0.00 C ATOM 1630 C TYR A 106 -5.856 7.275 -5.682 1.00 0.00 C ATOM 1631 O TYR A 106 -4.630 7.396 -5.599 1.00 0.00 O ATOM 1632 CB TYR A 106 -6.358 4.928 -4.992 1.00 0.00 C ATOM 1633 CG TYR A 106 -6.540 5.452 -3.572 1.00 0.00 C ATOM 1634 CD1 TYR A 106 -7.819 5.775 -3.054 1.00 0.00 C ATOM 1635 CD2 TYR A 106 -5.366 5.634 -2.820 1.00 0.00 C ATOM 1636 CE1 TYR A 106 -7.908 6.315 -1.767 1.00 0.00 C ATOM 1637 CE2 TYR A 106 -5.452 6.160 -1.524 1.00 0.00 C ATOM 1638 CZ TYR A 106 -6.725 6.501 -1.032 1.00 0.00 C ATOM 1639 OH TYR A 106 -6.767 7.051 0.200 1.00 0.00 O ATOM 0 H TYR A 106 -5.699 4.379 -7.301 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.517 6.133 -6.377 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.098 4.146 -5.163 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -5.377 4.458 -5.058 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -8.709 5.607 -3.643 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -4.406 5.371 -3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -8.866 6.583 -1.347 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -4.567 6.299 -0.921 1.00 0.00 H new ATOM 0 HH TYR A 106 -6.557 6.368 0.871 1.00 0.00 H new ATOM 1649 N LYS A 107 -6.750 8.207 -5.378 1.00 0.00 N ATOM 1650 CA LYS A 107 -6.355 9.541 -4.908 1.00 0.00 C ATOM 1651 C LYS A 107 -5.701 9.459 -3.514 1.00 0.00 C ATOM 1652 O LYS A 107 -6.288 9.639 -2.460 1.00 0.00 O ATOM 1653 CB LYS A 107 -7.547 10.506 -4.977 1.00 0.00 C ATOM 1654 CG LYS A 107 -8.746 10.086 -4.109 1.00 0.00 C ATOM 1655 CD LYS A 107 -10.012 9.862 -4.915 1.00 0.00 C ATOM 1656 CE LYS A 107 -11.157 9.653 -3.937 1.00 0.00 C ATOM 1657 NZ LYS A 107 -12.289 9.085 -4.670 1.00 0.00 N ATOM 0 H LYS A 107 -7.758 8.069 -5.447 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.592 9.950 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -7.217 11.497 -4.666 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.874 10.589 -6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.496 9.170 -3.573 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.931 10.854 -3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.211 10.719 -5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.902 8.994 -5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -10.852 8.984 -3.132 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.440 10.599 -3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -13.085 8.934 -4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -12.579 9.741 -5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -12.009 8.176 -5.091 1.00 0.00 H new ATOM 1671 N PHE A 108 -4.402 9.180 -3.582 1.00 0.00 N ATOM 1672 CA PHE A 108 -3.554 9.064 -2.388 1.00 0.00 C ATOM 1673 C PHE A 108 -3.126 10.424 -1.815 1.00 0.00 C ATOM 1674 O PHE A 108 -2.438 10.567 -0.806 1.00 0.00 O ATOM 1675 CB PHE A 108 -2.364 8.155 -2.657 1.00 0.00 C ATOM 1676 CG PHE A 108 -1.382 8.787 -3.635 1.00 0.00 C ATOM 1677 CD1 PHE A 108 -1.569 8.628 -5.032 1.00 0.00 C ATOM 1678 CD2 PHE A 108 -0.383 9.628 -3.117 1.00 0.00 C ATOM 1679 CE1 PHE A 108 -0.738 9.322 -5.922 1.00 0.00 C ATOM 1680 CE2 PHE A 108 0.417 10.360 -4.012 1.00 0.00 C ATOM 1681 CZ PHE A 108 0.246 10.187 -5.404 1.00 0.00 C ATOM 0 H PHE A 108 -3.905 9.028 -4.459 1.00 0.00 H new ATOM 0 HA PHE A 108 -4.163 8.602 -1.611 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -1.854 7.936 -1.719 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -2.716 7.204 -3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.345 7.977 -5.407 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -0.232 9.711 -2.051 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -0.850 9.196 -6.989 1.00 0.00 H new ATOM 0 HE2 PHE A 108 1.158 11.051 -3.638 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.884 10.730 -6.086 1.00 0.00 H new ATOM 1691 N ASP A 109 -3.349 11.429 -2.637 1.00 0.00 N ATOM 1692 CA ASP A 109 -3.120 12.824 -2.265 1.00 0.00 C ATOM 1693 C ASP A 109 -4.365 13.463 -1.621 1.00 0.00 C ATOM 1694 O ASP A 109 -4.274 14.538 -1.039 1.00 0.00 O ATOM 1695 CB ASP A 109 -2.637 13.572 -3.500 1.00 0.00 C ATOM 1696 CG ASP A 109 -2.663 15.091 -3.345 1.00 0.00 C ATOM 1697 OD1 ASP A 109 -1.981 15.590 -2.414 1.00 0.00 O ATOM 1698 OD2 ASP A 109 -3.451 15.695 -4.101 1.00 0.00 O ATOM 0 H ASP A 109 -3.696 11.308 -3.588 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.350 12.881 -1.495 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -1.620 13.256 -3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.258 13.291 -4.350 1.00 0.00 H new ATOM 1703 N SER A 110 -5.504 12.767 -1.685 1.00 0.00 N ATOM 1704 CA SER A 110 -6.767 13.307 -1.153 1.00 0.00 C ATOM 1705 C SER A 110 -6.906 12.952 0.330 1.00 0.00 C ATOM 1706 O SER A 110 -7.174 11.801 0.677 1.00 0.00 O ATOM 1707 CB SER A 110 -7.947 12.733 -1.910 1.00 0.00 C ATOM 1708 OG SER A 110 -8.856 13.780 -2.255 1.00 0.00 O ATOM 0 H SER A 110 -5.582 11.836 -2.095 1.00 0.00 H new ATOM 0 HA SER A 110 -6.753 14.390 -1.272 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.601 12.227 -2.812 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.454 11.985 -1.300 1.00 0.00 H new ATOM 0 HG SER A 110 -9.617 13.404 -2.746 1.00 0.00 H new ATOM 1714 N LYS A 111 -6.469 13.884 1.168 1.00 0.00 N ATOM 1715 CA LYS A 111 -6.529 13.724 2.631 1.00 0.00 C ATOM 1716 C LYS A 111 -7.961 13.532 3.113 1.00 0.00 C ATOM 1717 O LYS A 111 -8.319 12.513 3.698 1.00 0.00 O ATOM 1718 CB LYS A 111 -5.884 14.909 3.368 1.00 0.00 C ATOM 1719 CG LYS A 111 -5.246 14.459 4.689 1.00 0.00 C ATOM 1720 CD LYS A 111 -4.994 15.672 5.584 1.00 0.00 C ATOM 1721 CE LYS A 111 -3.662 15.585 6.326 1.00 0.00 C ATOM 1722 NZ LYS A 111 -3.513 16.843 7.069 1.00 0.00 N ATOM 0 H LYS A 111 -6.064 14.769 0.864 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.957 12.826 2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.126 15.367 2.732 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.637 15.671 3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.901 13.751 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.308 13.940 4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -5.009 16.577 4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.804 15.760 6.308 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -3.651 14.731 7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.837 15.448 5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -2.615 16.832 7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.515 17.642 6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -4.303 16.947 7.737 1.00 0.00 H new ATOM 1736 N LYS A 112 -8.741 14.579 2.863 1.00 0.00 N ATOM 1737 CA LYS A 112 -10.169 14.572 3.198 1.00 0.00 C ATOM 1738 C LYS A 112 -11.003 15.126 2.023 1.00 0.00 C ATOM 1739 O LYS A 112 -10.709 16.219 1.539 1.00 0.00 O ATOM 1740 CB LYS A 112 -10.412 15.310 4.515 1.00 0.00 C ATOM 1741 CG LYS A 112 -11.620 14.738 5.264 1.00 0.00 C ATOM 1742 CD LYS A 112 -11.361 13.338 5.839 1.00 0.00 C ATOM 1743 CE LYS A 112 -12.644 12.737 6.420 1.00 0.00 C ATOM 1744 NZ LYS A 112 -12.500 12.525 7.867 1.00 0.00 N ATOM 0 H LYS A 112 -8.414 15.443 2.431 1.00 0.00 H new ATOM 0 HA LYS A 112 -10.502 13.546 3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.525 15.237 5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.574 16.369 4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -11.891 15.414 6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -12.473 14.695 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -10.972 12.686 5.057 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -10.598 13.395 6.615 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -13.485 13.402 6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -12.865 11.790 5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -13.378 12.117 8.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.710 11.873 8.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -12.311 13.435 8.334 1.00 0.00 H new ATOM 1758 N PRO A 113 -11.924 14.291 1.510 1.00 0.00 N ATOM 1759 CA PRO A 113 -12.150 12.915 1.972 1.00 0.00 C ATOM 1760 C PRO A 113 -11.108 11.944 1.413 1.00 0.00 C ATOM 1761 O PRO A 113 -10.153 12.360 0.755 1.00 0.00 O ATOM 1762 CB PRO A 113 -13.579 12.587 1.516 1.00 0.00 C ATOM 1763 CG PRO A 113 -13.749 13.410 0.235 1.00 0.00 C ATOM 1764 CD PRO A 113 -12.889 14.665 0.468 1.00 0.00 C ATOM 0 HA PRO A 113 -12.044 12.817 3.052 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -13.704 11.521 1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -14.314 12.865 2.271 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -13.413 12.855 -0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -14.794 13.670 0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -12.381 14.968 -0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -13.503 15.508 0.786 1.00 0.00 H new ATOM 1772 N LYS A 114 -11.262 10.690 1.790 1.00 0.00 N ATOM 1773 CA LYS A 114 -10.285 9.641 1.442 1.00 0.00 C ATOM 1774 C LYS A 114 -10.961 8.284 1.591 1.00 0.00 C ATOM 1775 O LYS A 114 -11.402 7.885 2.680 1.00 0.00 O ATOM 1776 CB LYS A 114 -9.141 9.751 2.436 1.00 0.00 C ATOM 1777 CG LYS A 114 -7.997 8.803 2.112 1.00 0.00 C ATOM 1778 CD LYS A 114 -7.217 8.268 3.323 1.00 0.00 C ATOM 1779 CE LYS A 114 -6.760 9.359 4.287 1.00 0.00 C ATOM 1780 NZ LYS A 114 -7.796 9.523 5.304 1.00 0.00 N ATOM 0 H LYS A 114 -12.054 10.358 2.340 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.920 9.752 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -8.769 10.775 2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -9.513 9.538 3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -8.397 7.955 1.557 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -7.299 9.316 1.451 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -7.843 7.557 3.862 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -6.344 7.719 2.969 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -5.811 9.087 4.749 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -6.597 10.296 3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.296 10.422 5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -8.472 8.736 5.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -7.359 9.529 6.247 1.00 0.00 H new ATOM 1794 N GLU A 115 -11.148 7.652 0.445 1.00 0.00 N ATOM 1795 CA GLU A 115 -11.713 6.293 0.375 1.00 0.00 C ATOM 1796 C GLU A 115 -10.758 5.300 1.061 1.00 0.00 C ATOM 1797 O GLU A 115 -9.536 5.446 1.035 1.00 0.00 O ATOM 1798 CB GLU A 115 -11.958 5.898 -1.083 1.00 0.00 C ATOM 1799 CG GLU A 115 -12.679 4.544 -1.182 1.00 0.00 C ATOM 1800 CD GLU A 115 -12.873 4.097 -2.639 1.00 0.00 C ATOM 1801 OE1 GLU A 115 -13.845 4.606 -3.233 1.00 0.00 O ATOM 1802 OE2 GLU A 115 -12.058 3.260 -3.093 1.00 0.00 O ATOM 0 H GLU A 115 -10.918 8.053 -0.464 1.00 0.00 H new ATOM 0 HA GLU A 115 -12.670 6.271 0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.554 6.667 -1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -11.007 5.845 -1.612 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.106 3.788 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -13.650 4.615 -0.693 1.00 0.00 H new ATOM 1809 N ASN A 116 -11.381 4.269 1.630 1.00 0.00 N ATOM 1810 CA ASN A 116 -10.661 3.139 2.240 1.00 0.00 C ATOM 1811 C ASN A 116 -9.670 2.519 1.241 1.00 0.00 C ATOM 1812 O ASN A 116 -9.956 2.485 0.042 1.00 0.00 O ATOM 1813 CB ASN A 116 -11.675 2.074 2.693 1.00 0.00 C ATOM 1814 CG ASN A 116 -11.225 1.529 4.049 1.00 0.00 C ATOM 1815 OD1 ASN A 116 -10.693 0.436 4.181 1.00 0.00 O ATOM 1816 ND2 ASN A 116 -11.350 2.356 5.058 1.00 0.00 N ATOM 0 H ASN A 116 -12.396 4.188 1.684 1.00 0.00 H new ATOM 0 HA ASN A 116 -10.099 3.505 3.099 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.672 2.507 2.770 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.733 1.269 1.960 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -11.000 2.093 5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.798 3.262 4.922 1.00 0.00 H new ATOM 1823 N PRO A 117 -8.476 2.155 1.726 1.00 0.00 N ATOM 1824 CA PRO A 117 -7.443 1.535 0.872 1.00 0.00 C ATOM 1825 C PRO A 117 -7.852 0.112 0.453 1.00 0.00 C ATOM 1826 O PRO A 117 -8.944 -0.363 0.770 1.00 0.00 O ATOM 1827 CB PRO A 117 -6.170 1.575 1.717 1.00 0.00 C ATOM 1828 CG PRO A 117 -6.680 1.540 3.166 1.00 0.00 C ATOM 1829 CD PRO A 117 -7.982 2.340 3.106 1.00 0.00 C ATOM 0 HA PRO A 117 -7.298 2.061 -0.072 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -5.522 0.725 1.502 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.589 2.476 1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.852 0.519 3.506 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.964 1.989 3.854 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.704 1.976 3.837 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.809 3.393 3.326 1.00 0.00 H new ATOM 1837 N GLY A 118 -6.929 -0.525 -0.254 1.00 0.00 N ATOM 1838 CA GLY A 118 -7.110 -1.891 -0.777 1.00 0.00 C ATOM 1839 C GLY A 118 -6.348 -2.926 0.079 1.00 0.00 C ATOM 1840 O GLY A 118 -5.477 -2.537 0.849 1.00 0.00 O ATOM 0 H GLY A 118 -6.025 -0.115 -0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -8.171 -2.139 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -6.757 -1.938 -1.807 1.00 0.00 H new ATOM 1844 N PRO A 119 -6.662 -4.221 -0.094 1.00 0.00 N ATOM 1845 CA PRO A 119 -5.940 -5.296 0.609 1.00 0.00 C ATOM 1846 C PRO A 119 -4.550 -5.506 0.011 1.00 0.00 C ATOM 1847 O PRO A 119 -3.571 -5.583 0.746 1.00 0.00 O ATOM 1848 CB PRO A 119 -6.838 -6.527 0.488 1.00 0.00 C ATOM 1849 CG PRO A 119 -7.713 -6.280 -0.734 1.00 0.00 C ATOM 1850 CD PRO A 119 -7.767 -4.753 -0.919 1.00 0.00 C ATOM 0 HA PRO A 119 -5.755 -5.060 1.657 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.245 -7.434 0.368 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -7.445 -6.659 1.384 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -7.296 -6.765 -1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.712 -6.690 -0.587 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -7.643 -4.479 -1.967 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.728 -4.351 -0.596 1.00 0.00 H new ATOM 1858 N ALA A 120 -4.472 -5.560 -1.325 1.00 0.00 N ATOM 1859 CA ALA A 120 -3.185 -5.657 -2.024 1.00 0.00 C ATOM 1860 C ALA A 120 -2.539 -4.298 -2.265 1.00 0.00 C ATOM 1861 O ALA A 120 -3.171 -3.302 -2.638 1.00 0.00 O ATOM 1862 CB ALA A 120 -3.295 -6.424 -3.324 1.00 0.00 C ATOM 0 H ALA A 120 -5.284 -5.538 -1.942 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.533 -6.216 -1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.317 -6.469 -3.804 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.646 -7.436 -3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -4.001 -5.921 -3.985 1.00 0.00 H new ATOM 1868 N ARG A 121 -1.269 -4.310 -1.921 1.00 0.00 N ATOM 1869 CA ARG A 121 -0.401 -3.132 -1.987 1.00 0.00 C ATOM 1870 C ARG A 121 0.947 -3.445 -2.640 1.00 0.00 C ATOM 1871 O ARG A 121 1.564 -4.482 -2.397 1.00 0.00 O ATOM 1872 CB ARG A 121 -0.202 -2.537 -0.594 1.00 0.00 C ATOM 1873 CG ARG A 121 -1.483 -1.853 -0.104 1.00 0.00 C ATOM 1874 CD ARG A 121 -1.123 -0.506 0.545 1.00 0.00 C ATOM 1875 NE ARG A 121 -1.580 -0.404 1.938 1.00 0.00 N ATOM 1876 CZ ARG A 121 -1.113 -1.147 2.938 1.00 0.00 C ATOM 1877 NH1 ARG A 121 -0.300 -2.164 2.712 1.00 0.00 N ATOM 1878 NH2 ARG A 121 -1.545 -0.955 4.171 1.00 0.00 N ATOM 0 H ARG A 121 -0.794 -5.146 -1.581 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.899 -2.395 -2.618 1.00 0.00 H new ATOM 0 HB2 ARG A 121 0.085 -3.323 0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 121 0.615 -1.816 -0.615 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -2.167 -1.697 -0.938 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.997 -2.491 0.615 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -0.042 -0.369 0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -1.565 0.302 -0.038 1.00 0.00 H new ATOM 0 HE ARG A 121 -2.304 0.282 2.153 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -0.020 -2.391 1.758 1.00 0.00 H new ATOM 0 HH12 ARG A 121 0.048 -2.722 3.492 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -2.241 -0.234 4.361 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -1.183 -1.528 4.933 1.00 0.00 H new ATOM 1892 N VAL A 122 1.345 -2.489 -3.482 1.00 0.00 N ATOM 1893 CA VAL A 122 2.632 -2.553 -4.184 1.00 0.00 C ATOM 1894 C VAL A 122 3.761 -2.124 -3.247 1.00 0.00 C ATOM 1895 O VAL A 122 3.617 -1.157 -2.498 1.00 0.00 O ATOM 1896 CB VAL A 122 2.627 -1.730 -5.488 1.00 0.00 C ATOM 1897 CG1 VAL A 122 2.391 -0.236 -5.304 1.00 0.00 C ATOM 1898 CG2 VAL A 122 3.933 -1.934 -6.260 1.00 0.00 C ATOM 0 H VAL A 122 0.794 -1.658 -3.696 1.00 0.00 H new ATOM 0 HA VAL A 122 2.803 -3.588 -4.480 1.00 0.00 H new ATOM 0 HB VAL A 122 1.774 -2.111 -6.050 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.405 0.257 -6.276 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.423 -0.076 -4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 122 3.176 0.182 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 122 3.910 -1.345 -7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 122 4.773 -1.614 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.047 -2.989 -6.509 1.00 0.00 H new ATOM 1908 N ILE A 123 4.838 -2.891 -3.299 1.00 0.00 N ATOM 1909 CA ILE A 123 6.038 -2.658 -2.488 1.00 0.00 C ATOM 1910 C ILE A 123 7.227 -2.403 -3.401 1.00 0.00 C ATOM 1911 O ILE A 123 7.328 -2.951 -4.502 1.00 0.00 O ATOM 1912 CB ILE A 123 6.319 -3.846 -1.558 1.00 0.00 C ATOM 1913 CG1 ILE A 123 5.065 -4.315 -0.841 1.00 0.00 C ATOM 1914 CG2 ILE A 123 7.441 -3.557 -0.545 1.00 0.00 C ATOM 1915 CD1 ILE A 123 4.281 -3.214 -0.128 1.00 0.00 C ATOM 0 H ILE A 123 4.912 -3.704 -3.910 1.00 0.00 H new ATOM 0 HA ILE A 123 5.870 -1.782 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 123 6.664 -4.652 -2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 123 4.409 -4.797 -1.566 1.00 0.00 H new ATOM 0 HG13 ILE A 123 5.344 -5.074 -0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 123 7.596 -4.432 0.086 1.00 0.00 H new ATOM 0 HG22 ILE A 123 8.363 -3.327 -1.079 1.00 0.00 H new ATOM 0 HG23 ILE A 123 7.160 -2.707 0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 123 3.404 -3.646 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.915 -2.745 0.625 1.00 0.00 H new ATOM 0 HD13 ILE A 123 3.964 -2.465 -0.853 1.00 0.00 H new ATOM 1927 N TYR A 124 8.112 -1.564 -2.880 1.00 0.00 N ATOM 1928 CA TYR A 124 9.268 -1.039 -3.620 1.00 0.00 C ATOM 1929 C TYR A 124 10.163 -0.199 -2.709 1.00 0.00 C ATOM 1930 O TYR A 124 9.698 0.324 -1.697 1.00 0.00 O ATOM 1931 CB TYR A 124 8.774 -0.182 -4.798 1.00 0.00 C ATOM 1932 CG TYR A 124 7.861 0.976 -4.360 1.00 0.00 C ATOM 1933 CD1 TYR A 124 6.519 0.775 -3.996 1.00 0.00 C ATOM 1934 CD2 TYR A 124 8.448 2.263 -4.342 1.00 0.00 C ATOM 1935 CE1 TYR A 124 5.736 1.877 -3.588 1.00 0.00 C ATOM 1936 CE2 TYR A 124 7.662 3.363 -3.958 1.00 0.00 C ATOM 1937 CZ TYR A 124 6.321 3.154 -3.573 1.00 0.00 C ATOM 1938 OH TYR A 124 5.632 4.211 -3.074 1.00 0.00 O ATOM 0 H TYR A 124 8.053 -1.221 -1.921 1.00 0.00 H new ATOM 0 HA TYR A 124 9.853 -1.879 -3.994 1.00 0.00 H new ATOM 0 HB2 TYR A 124 9.634 0.223 -5.331 1.00 0.00 H new ATOM 0 HB3 TYR A 124 8.234 -0.817 -5.500 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.089 -0.215 -4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 124 9.483 2.398 -4.619 1.00 0.00 H new ATOM 0 HE1 TYR A 124 4.706 1.741 -3.293 1.00 0.00 H new ATOM 0 HE2 TYR A 124 8.081 4.359 -3.958 1.00 0.00 H new ATOM 0 HH TYR A 124 6.182 5.020 -3.138 1.00 0.00 H new ATOM 1948 N THR A 125 11.460 -0.364 -2.933 1.00 0.00 N ATOM 1949 CA THR A 125 12.498 0.348 -2.165 1.00 0.00 C ATOM 1950 C THR A 125 12.513 1.839 -2.576 1.00 0.00 C ATOM 1951 O THR A 125 11.611 2.311 -3.258 1.00 0.00 O ATOM 1952 CB THR A 125 13.881 -0.310 -2.362 1.00 0.00 C ATOM 1953 OG1 THR A 125 14.417 0.056 -3.629 1.00 0.00 O ATOM 1954 CG2 THR A 125 13.857 -1.836 -2.236 1.00 0.00 C ATOM 0 H THR A 125 11.831 -0.991 -3.647 1.00 0.00 H new ATOM 0 HA THR A 125 12.264 0.284 -1.102 1.00 0.00 H new ATOM 0 HB THR A 125 14.514 0.061 -1.556 1.00 0.00 H new ATOM 0 HG1 THR A 125 15.295 -0.363 -3.746 1.00 0.00 H new ATOM 0 HG21 THR A 125 14.862 -2.229 -2.386 1.00 0.00 H new ATOM 0 HG22 THR A 125 13.503 -2.114 -1.243 1.00 0.00 H new ATOM 0 HG23 THR A 125 13.188 -2.253 -2.989 1.00 0.00 H new ATOM 1962 N TYR A 126 13.596 2.547 -2.252 1.00 0.00 N ATOM 1963 CA TYR A 126 13.751 3.979 -2.553 1.00 0.00 C ATOM 1964 C TYR A 126 15.228 4.437 -2.396 1.00 0.00 C ATOM 1965 O TYR A 126 15.930 3.859 -1.573 1.00 0.00 O ATOM 1966 CB TYR A 126 12.767 4.762 -1.671 1.00 0.00 C ATOM 1967 CG TYR A 126 13.214 6.174 -1.270 1.00 0.00 C ATOM 1968 CD1 TYR A 126 14.089 6.259 -0.185 1.00 0.00 C ATOM 1969 CD2 TYR A 126 12.905 7.303 -2.035 1.00 0.00 C ATOM 1970 CE1 TYR A 126 14.688 7.493 0.121 1.00 0.00 C ATOM 1971 CE2 TYR A 126 13.465 8.555 -1.731 1.00 0.00 C ATOM 1972 CZ TYR A 126 14.345 8.636 -0.634 1.00 0.00 C ATOM 1973 OH TYR A 126 14.763 9.841 -0.205 1.00 0.00 O ATOM 0 H TYR A 126 14.399 2.144 -1.769 1.00 0.00 H new ATOM 0 HA TYR A 126 13.509 4.179 -3.597 1.00 0.00 H new ATOM 0 HB2 TYR A 126 11.816 4.837 -2.198 1.00 0.00 H new ATOM 0 HB3 TYR A 126 12.584 4.187 -0.763 1.00 0.00 H new ATOM 0 HD1 TYR A 126 14.303 5.385 0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 126 12.227 7.211 -2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 126 15.404 7.566 0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 126 13.228 9.429 -2.320 1.00 0.00 H new ATOM 0 HH TYR A 126 15.184 9.747 0.675 1.00 0.00 H new ATOM 1983 N PRO A 127 15.678 5.400 -3.222 1.00 0.00 N ATOM 1984 CA PRO A 127 14.952 5.944 -4.393 1.00 0.00 C ATOM 1985 C PRO A 127 14.929 5.018 -5.609 1.00 0.00 C ATOM 1986 O PRO A 127 14.109 5.199 -6.492 1.00 0.00 O ATOM 1987 CB PRO A 127 15.616 7.295 -4.684 1.00 0.00 C ATOM 1988 CG PRO A 127 17.035 7.134 -4.157 1.00 0.00 C ATOM 1989 CD PRO A 127 16.936 6.142 -3.000 1.00 0.00 C ATOM 0 HA PRO A 127 13.891 6.051 -4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 127 15.610 7.520 -5.750 1.00 0.00 H new ATOM 0 HB3 PRO A 127 15.095 8.111 -4.183 1.00 0.00 H new ATOM 0 HG2 PRO A 127 17.702 6.763 -4.935 1.00 0.00 H new ATOM 0 HG3 PRO A 127 17.438 8.089 -3.820 1.00 0.00 H new ATOM 0 HD2 PRO A 127 17.792 5.468 -2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 127 16.923 6.659 -2.040 1.00 0.00 H new ATOM 1997 N ASN A 128 15.665 3.916 -5.461 1.00 0.00 N ATOM 1998 CA ASN A 128 15.714 2.815 -6.435 1.00 0.00 C ATOM 1999 C ASN A 128 14.316 2.444 -6.943 1.00 0.00 C ATOM 2000 O ASN A 128 14.105 2.430 -8.147 1.00 0.00 O ATOM 2001 CB ASN A 128 16.355 1.589 -5.784 1.00 0.00 C ATOM 2002 CG ASN A 128 17.621 1.205 -6.539 1.00 0.00 C ATOM 2003 OD1 ASN A 128 17.627 0.683 -7.635 1.00 0.00 O ATOM 2004 ND2 ASN A 128 18.753 1.544 -5.951 1.00 0.00 N ATOM 0 H ASN A 128 16.257 3.757 -4.646 1.00 0.00 H new ATOM 0 HA ASN A 128 16.307 3.148 -7.287 1.00 0.00 H new ATOM 0 HB2 ASN A 128 16.593 1.802 -4.742 1.00 0.00 H new ATOM 0 HB3 ASN A 128 15.652 0.756 -5.787 1.00 0.00 H new ATOM 0 HD21 ASN A 128 19.643 1.368 -6.418 1.00 0.00 H new ATOM 0 HD22 ASN A 128 18.738 1.982 -5.030 1.00 0.00 H new ATOM 2011 N LYS A 129 13.395 2.237 -5.993 1.00 0.00 N ATOM 2012 CA LYS A 129 12.001 1.854 -6.298 1.00 0.00 C ATOM 2013 C LYS A 129 11.951 0.546 -7.073 1.00 0.00 C ATOM 2014 O LYS A 129 11.046 0.316 -7.889 1.00 0.00 O ATOM 2015 CB LYS A 129 11.264 2.967 -7.044 1.00 0.00 C ATOM 2016 CG LYS A 129 10.805 4.077 -6.105 1.00 0.00 C ATOM 2017 CD LYS A 129 10.371 5.241 -6.978 1.00 0.00 C ATOM 2018 CE LYS A 129 8.923 5.640 -6.704 1.00 0.00 C ATOM 2019 NZ LYS A 129 8.546 6.600 -7.734 1.00 0.00 N ATOM 0 H LYS A 129 13.588 2.328 -4.996 1.00 0.00 H new ATOM 0 HA LYS A 129 11.487 1.701 -5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.918 3.386 -7.808 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.400 2.548 -7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 129 9.981 3.736 -5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 129 11.612 4.376 -5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 129 11.024 6.095 -6.798 1.00 0.00 H new ATOM 0 HD3 LYS A 129 10.482 4.970 -8.028 1.00 0.00 H new ATOM 0 HE2 LYS A 129 8.270 4.768 -6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 129 8.825 6.080 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 7.510 6.620 -7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 8.888 7.546 -7.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 8.970 6.320 -8.641 1.00 0.00 H new ATOM 2033 N VAL A 130 12.927 -0.306 -6.774 1.00 0.00 N ATOM 2034 CA VAL A 130 13.080 -1.639 -7.379 1.00 0.00 C ATOM 2035 C VAL A 130 11.873 -2.457 -6.926 1.00 0.00 C ATOM 2036 O VAL A 130 11.831 -2.938 -5.802 1.00 0.00 O ATOM 2037 CB VAL A 130 14.397 -2.330 -6.969 1.00 0.00 C ATOM 2038 CG1 VAL A 130 14.513 -3.736 -7.564 1.00 0.00 C ATOM 2039 CG2 VAL A 130 15.604 -1.548 -7.476 1.00 0.00 C ATOM 0 H VAL A 130 13.653 -0.091 -6.090 1.00 0.00 H new ATOM 0 HA VAL A 130 13.126 -1.552 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 130 14.382 -2.377 -5.880 1.00 0.00 H new ATOM 0 HG11 VAL A 130 15.455 -4.187 -7.251 1.00 0.00 H new ATOM 0 HG12 VAL A 130 13.683 -4.349 -7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 130 14.485 -3.674 -8.652 1.00 0.00 H new ATOM 0 HG21 VAL A 130 16.520 -2.056 -7.174 1.00 0.00 H new ATOM 0 HG22 VAL A 130 15.566 -1.485 -8.564 1.00 0.00 H new ATOM 0 HG23 VAL A 130 15.590 -0.543 -7.054 1.00 0.00 H new ATOM 2049 N PHE A 131 10.864 -2.398 -7.792 1.00 0.00 N ATOM 2050 CA PHE A 131 9.590 -3.097 -7.638 1.00 0.00 C ATOM 2051 C PHE A 131 9.843 -4.502 -7.078 1.00 0.00 C ATOM 2052 O PHE A 131 10.513 -5.328 -7.690 1.00 0.00 O ATOM 2053 CB PHE A 131 8.900 -3.144 -9.011 1.00 0.00 C ATOM 2054 CG PHE A 131 7.646 -4.011 -8.977 1.00 0.00 C ATOM 2055 CD1 PHE A 131 6.435 -3.467 -8.487 1.00 0.00 C ATOM 2056 CD2 PHE A 131 7.760 -5.371 -9.312 1.00 0.00 C ATOM 2057 CE1 PHE A 131 5.327 -4.323 -8.335 1.00 0.00 C ATOM 2058 CE2 PHE A 131 6.655 -6.224 -9.136 1.00 0.00 C ATOM 2059 CZ PHE A 131 5.446 -5.688 -8.658 1.00 0.00 C ATOM 0 H PHE A 131 10.912 -1.845 -8.648 1.00 0.00 H new ATOM 0 HA PHE A 131 8.938 -2.578 -6.936 1.00 0.00 H new ATOM 0 HB2 PHE A 131 8.636 -2.133 -9.322 1.00 0.00 H new ATOM 0 HB3 PHE A 131 9.594 -3.535 -9.755 1.00 0.00 H new ATOM 0 HD1 PHE A 131 6.362 -2.419 -8.235 1.00 0.00 H new ATOM 0 HD2 PHE A 131 8.690 -5.759 -9.702 1.00 0.00 H new ATOM 0 HE1 PHE A 131 4.388 -3.933 -7.971 1.00 0.00 H new ATOM 0 HE2 PHE A 131 6.734 -7.276 -9.365 1.00 0.00 H new ATOM 0 HZ PHE A 131 4.591 -6.337 -8.536 1.00 0.00 H new ATOM 2069 N CYS A 132 9.426 -4.639 -5.825 1.00 0.00 N ATOM 2070 CA CYS A 132 9.640 -5.885 -5.077 1.00 0.00 C ATOM 2071 C CYS A 132 8.548 -6.884 -5.485 1.00 0.00 C ATOM 2072 O CYS A 132 8.820 -7.893 -6.138 1.00 0.00 O ATOM 2073 CB CYS A 132 9.614 -5.560 -3.584 1.00 0.00 C ATOM 2074 SG CYS A 132 10.869 -4.358 -3.038 1.00 0.00 S ATOM 0 H CYS A 132 8.940 -3.910 -5.302 1.00 0.00 H new ATOM 0 HA CYS A 132 10.606 -6.338 -5.300 1.00 0.00 H new ATOM 0 HB2 CYS A 132 8.627 -5.174 -3.328 1.00 0.00 H new ATOM 0 HB3 CYS A 132 9.750 -6.485 -3.023 1.00 0.00 H new ATOM 2079 N GLY A 133 7.320 -6.475 -5.193 1.00 0.00 N ATOM 2080 CA GLY A 133 6.110 -7.251 -5.502 1.00 0.00 C ATOM 2081 C GLY A 133 4.847 -6.572 -5.005 1.00 0.00 C ATOM 2082 O GLY A 133 4.789 -5.353 -4.858 1.00 0.00 O ATOM 0 H GLY A 133 7.126 -5.587 -4.730 1.00 0.00 H new ATOM 0 HA2 GLY A 133 6.041 -7.398 -6.580 1.00 0.00 H new ATOM 0 HA3 GLY A 133 6.190 -8.240 -5.050 1.00 0.00 H new ATOM 2086 N ILE A 134 3.862 -7.416 -4.758 1.00 0.00 N ATOM 2087 CA ILE A 134 2.553 -6.995 -4.231 1.00 0.00 C ATOM 2088 C ILE A 134 2.168 -7.920 -3.093 1.00 0.00 C ATOM 2089 O ILE A 134 2.191 -9.142 -3.212 1.00 0.00 O ATOM 2090 CB ILE A 134 1.486 -6.900 -5.342 1.00 0.00 C ATOM 2091 CG1 ILE A 134 1.717 -5.639 -6.180 1.00 0.00 C ATOM 2092 CG2 ILE A 134 0.042 -6.817 -4.846 1.00 0.00 C ATOM 2093 CD1 ILE A 134 2.253 -5.973 -7.556 1.00 0.00 C ATOM 0 H ILE A 134 3.936 -8.421 -4.914 1.00 0.00 H new ATOM 0 HA ILE A 134 2.621 -5.982 -3.834 1.00 0.00 H new ATOM 0 HB ILE A 134 1.602 -7.826 -5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 134 0.780 -5.090 -6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 134 2.419 -4.983 -5.665 1.00 0.00 H new ATOM 0 HG21 ILE A 134 -0.633 -6.753 -5.700 1.00 0.00 H new ATOM 0 HG22 ILE A 134 -0.194 -7.707 -4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 134 -0.078 -5.931 -4.222 1.00 0.00 H new ATOM 0 HD11 ILE A 134 2.404 -5.053 -8.121 1.00 0.00 H new ATOM 0 HD12 ILE A 134 3.203 -6.499 -7.459 1.00 0.00 H new ATOM 0 HD13 ILE A 134 1.539 -6.608 -8.081 1.00 0.00 H new ATOM 2105 N ILE A 135 1.957 -7.303 -1.947 1.00 0.00 N ATOM 2106 CA ILE A 135 1.481 -8.016 -0.757 1.00 0.00 C ATOM 2107 C ILE A 135 0.051 -7.619 -0.418 1.00 0.00 C ATOM 2108 O ILE A 135 -0.362 -6.492 -0.655 1.00 0.00 O ATOM 2109 CB ILE A 135 2.408 -7.819 0.447 1.00 0.00 C ATOM 2110 CG1 ILE A 135 2.877 -6.386 0.671 1.00 0.00 C ATOM 2111 CG2 ILE A 135 3.669 -8.627 0.190 1.00 0.00 C ATOM 2112 CD1 ILE A 135 1.821 -5.329 0.971 1.00 0.00 C ATOM 0 H ILE A 135 2.106 -6.304 -1.805 1.00 0.00 H new ATOM 0 HA ILE A 135 1.493 -9.079 -0.996 1.00 0.00 H new ATOM 0 HB ILE A 135 1.832 -8.122 1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 135 3.588 -6.392 1.497 1.00 0.00 H new ATOM 0 HG13 ILE A 135 3.423 -6.070 -0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 135 4.354 -8.510 1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 135 3.410 -9.680 0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 135 4.149 -8.272 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 135 2.303 -4.361 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 135 1.118 -5.271 0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 135 1.285 -5.598 1.881 1.00 0.00 H new ATOM 2124 N ALA A 136 -0.690 -8.602 0.060 1.00 0.00 N ATOM 2125 CA ALA A 136 -2.088 -8.423 0.431 1.00 0.00 C ATOM 2126 C ALA A 136 -2.421 -9.187 1.701 1.00 0.00 C ATOM 2127 O ALA A 136 -1.783 -10.201 1.993 1.00 0.00 O ATOM 2128 CB ALA A 136 -2.982 -8.951 -0.689 1.00 0.00 C ATOM 0 H ALA A 136 -0.342 -9.550 0.203 1.00 0.00 H new ATOM 0 HA ALA A 136 -2.257 -7.359 0.597 1.00 0.00 H new ATOM 0 HB1 ALA A 136 -4.028 -8.818 -0.413 1.00 0.00 H new ATOM 0 HB2 ALA A 136 -2.776 -8.402 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 136 -2.780 -10.011 -0.847 1.00 0.00 H new ATOM 2134 N HIS A 137 -3.530 -8.806 2.314 1.00 0.00 N ATOM 2135 CA HIS A 137 -3.995 -9.461 3.546 1.00 0.00 C ATOM 2136 C HIS A 137 -4.902 -10.628 3.165 1.00 0.00 C ATOM 2137 O HIS A 137 -5.988 -10.441 2.610 1.00 0.00 O ATOM 2138 CB HIS A 137 -4.772 -8.472 4.406 1.00 0.00 C ATOM 2139 CG HIS A 137 -4.002 -7.184 4.717 1.00 0.00 C ATOM 2140 ND1 HIS A 137 -3.511 -6.838 5.895 1.00 0.00 N ATOM 2141 CD2 HIS A 137 -3.826 -6.171 3.885 1.00 0.00 C ATOM 2142 CE1 HIS A 137 -3.031 -5.605 5.805 1.00 0.00 C ATOM 2143 NE2 HIS A 137 -3.205 -5.203 4.547 1.00 0.00 N ATOM 0 H HIS A 137 -4.130 -8.049 1.987 1.00 0.00 H new ATOM 0 HA HIS A 137 -3.137 -9.820 4.115 1.00 0.00 H new ATOM 0 HB2 HIS A 137 -5.701 -8.215 3.898 1.00 0.00 H new ATOM 0 HB3 HIS A 137 -5.045 -8.956 5.344 1.00 0.00 H new ATOM 0 HD1 HIS A 137 -3.503 -7.421 6.732 1.00 0.00 H new ATOM 0 HD2 HIS A 137 -4.133 -6.138 2.850 1.00 0.00 H new ATOM 0 HE1 HIS A 137 -2.582 -5.033 6.604 1.00 0.00 H new ATOM 2152 N THR A 138 -4.482 -11.808 3.563 1.00 0.00 N ATOM 2153 CA THR A 138 -5.183 -13.077 3.289 1.00 0.00 C ATOM 2154 C THR A 138 -6.376 -13.308 4.228 1.00 0.00 C ATOM 2155 O THR A 138 -6.649 -14.425 4.672 1.00 0.00 O ATOM 2156 CB THR A 138 -4.171 -14.223 3.389 1.00 0.00 C ATOM 2157 OG1 THR A 138 -3.290 -13.951 4.487 1.00 0.00 O ATOM 2158 CG2 THR A 138 -3.424 -14.386 2.064 1.00 0.00 C ATOM 0 H THR A 138 -3.624 -11.932 4.100 1.00 0.00 H new ATOM 0 HA THR A 138 -5.601 -13.032 2.283 1.00 0.00 H new ATOM 0 HB THR A 138 -4.675 -15.171 3.578 1.00 0.00 H new ATOM 0 HG1 THR A 138 -2.635 -14.675 4.568 1.00 0.00 H new ATOM 0 HG21 THR A 138 -2.708 -15.203 2.148 1.00 0.00 H new ATOM 0 HG22 THR A 138 -4.136 -14.608 1.270 1.00 0.00 H new ATOM 0 HG23 THR A 138 -2.895 -13.463 1.829 1.00 0.00 H new ATOM 2166 N LYS A 139 -7.140 -12.240 4.399 1.00 0.00 N ATOM 2167 CA LYS A 139 -8.323 -12.146 5.283 1.00 0.00 C ATOM 2168 C LYS A 139 -8.928 -10.731 5.181 1.00 0.00 C ATOM 2169 O LYS A 139 -8.687 -9.874 6.032 1.00 0.00 O ATOM 2170 CB LYS A 139 -7.942 -12.496 6.732 1.00 0.00 C ATOM 2171 CG LYS A 139 -9.140 -12.408 7.675 1.00 0.00 C ATOM 2172 CD LYS A 139 -9.462 -13.732 8.330 1.00 0.00 C ATOM 2173 CE LYS A 139 -10.880 -13.648 8.873 1.00 0.00 C ATOM 2174 NZ LYS A 139 -11.242 -14.924 9.497 1.00 0.00 N ATOM 0 H LYS A 139 -6.955 -11.366 3.907 1.00 0.00 H new ATOM 0 HA LYS A 139 -9.076 -12.866 4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 139 -7.528 -13.504 6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 139 -7.160 -11.819 7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 139 -8.937 -11.665 8.446 1.00 0.00 H new ATOM 0 HG3 LYS A 139 -10.011 -12.060 7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 139 -9.376 -14.546 7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 139 -8.757 -13.942 9.134 1.00 0.00 H new ATOM 0 HE2 LYS A 139 -10.954 -12.841 9.602 1.00 0.00 H new ATOM 0 HE3 LYS A 139 -11.576 -13.415 8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 -12.212 -14.866 9.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 -11.187 -15.684 8.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 -10.585 -15.128 10.277 1.00 0.00 H new ATOM 2188 N GLU A 140 -9.692 -10.509 4.109 1.00 0.00 N ATOM 2189 CA GLU A 140 -10.387 -9.231 3.852 1.00 0.00 C ATOM 2190 C GLU A 140 -9.402 -8.083 3.586 1.00 0.00 C ATOM 2191 O GLU A 140 -9.005 -7.861 2.446 1.00 0.00 O ATOM 2192 CB GLU A 140 -11.380 -8.928 4.979 1.00 0.00 C ATOM 2193 CG GLU A 140 -12.842 -9.142 4.580 1.00 0.00 C ATOM 2194 CD GLU A 140 -13.580 -7.799 4.613 1.00 0.00 C ATOM 2195 OE1 GLU A 140 -13.477 -7.107 5.653 1.00 0.00 O ATOM 2196 OE2 GLU A 140 -14.210 -7.496 3.578 1.00 0.00 O ATOM 0 H GLU A 140 -9.851 -11.211 3.386 1.00 0.00 H new ATOM 0 HA GLU A 140 -10.965 -9.331 2.934 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -11.149 -9.561 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -11.247 -7.895 5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -12.898 -9.576 3.582 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -13.317 -9.848 5.262 1.00 0.00 H new ATOM 2203 N ASN A 141 -8.937 -7.484 4.687 1.00 0.00 N ATOM 2204 CA ASN A 141 -7.923 -6.419 4.699 1.00 0.00 C ATOM 2205 C ASN A 141 -7.135 -6.399 6.034 1.00 0.00 C ATOM 2206 O ASN A 141 -6.605 -5.389 6.481 1.00 0.00 O ATOM 2207 CB ASN A 141 -8.638 -5.085 4.480 1.00 0.00 C ATOM 2208 CG ASN A 141 -7.703 -4.033 3.907 1.00 0.00 C ATOM 2209 OD1 ASN A 141 -6.479 -4.105 3.932 1.00 0.00 O ATOM 2210 ND2 ASN A 141 -8.291 -3.038 3.283 1.00 0.00 N ATOM 0 H ASN A 141 -9.263 -7.732 5.621 1.00 0.00 H new ATOM 0 HA ASN A 141 -7.198 -6.599 3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -9.480 -5.230 3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -9.047 -4.732 5.427 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -7.730 -2.324 2.819 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -9.309 -2.979 3.263 1.00 0.00 H new ATOM 2217 N GLN A 142 -7.084 -7.565 6.689 1.00 0.00 N ATOM 2218 CA GLN A 142 -6.375 -7.735 7.963 1.00 0.00 C ATOM 2219 C GLN A 142 -5.665 -9.089 8.016 1.00 0.00 C ATOM 2220 O GLN A 142 -5.857 -9.950 7.153 1.00 0.00 O ATOM 2221 CB GLN A 142 -7.372 -7.590 9.118 1.00 0.00 C ATOM 2222 CG GLN A 142 -6.788 -6.664 10.195 1.00 0.00 C ATOM 2223 CD GLN A 142 -7.672 -5.444 10.390 1.00 0.00 C ATOM 2224 OE1 GLN A 142 -8.762 -5.501 10.931 1.00 0.00 O ATOM 2225 NE2 GLN A 142 -7.211 -4.289 9.955 1.00 0.00 N ATOM 0 H GLN A 142 -7.533 -8.417 6.351 1.00 0.00 H new ATOM 0 HA GLN A 142 -5.610 -6.964 8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 142 -8.314 -7.185 8.749 1.00 0.00 H new ATOM 0 HB3 GLN A 142 -7.592 -8.568 9.546 1.00 0.00 H new ATOM 0 HG2 GLN A 142 -6.695 -7.206 11.136 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -5.785 -6.350 9.907 1.00 0.00 H new ATOM 0 HE21 GLN A 142 -6.298 -4.242 9.502 1.00 0.00 H new ATOM 0 HE22 GLN A 142 -7.767 -3.442 10.071 1.00 0.00 H new ATOM 2234 N GLY A 143 -4.769 -9.178 9.002 1.00 0.00 N ATOM 2235 CA GLY A 143 -3.931 -10.364 9.224 1.00 0.00 C ATOM 2236 C GLY A 143 -2.673 -10.272 8.351 1.00 0.00 C ATOM 2237 O GLY A 143 -2.611 -9.499 7.397 1.00 0.00 O ATOM 0 H GLY A 143 -4.602 -8.428 9.673 1.00 0.00 H new ATOM 0 HA2 GLY A 143 -3.653 -10.434 10.276 1.00 0.00 H new ATOM 0 HA3 GLY A 143 -4.490 -11.268 8.981 1.00 0.00 H new ATOM 2241 N GLU A 144 -1.642 -10.983 8.813 1.00 0.00 N ATOM 2242 CA GLU A 144 -0.339 -11.062 8.114 1.00 0.00 C ATOM 2243 C GLU A 144 -0.486 -11.169 6.601 1.00 0.00 C ATOM 2244 O GLU A 144 -1.266 -11.970 6.072 1.00 0.00 O ATOM 2245 CB GLU A 144 0.500 -12.250 8.608 1.00 0.00 C ATOM 2246 CG GLU A 144 1.515 -11.794 9.655 1.00 0.00 C ATOM 2247 CD GLU A 144 1.334 -12.580 10.947 1.00 0.00 C ATOM 2248 OE1 GLU A 144 0.477 -12.146 11.751 1.00 0.00 O ATOM 2249 OE2 GLU A 144 2.048 -13.596 11.105 1.00 0.00 O ATOM 0 H GLU A 144 -1.677 -11.522 9.678 1.00 0.00 H new ATOM 0 HA GLU A 144 0.170 -10.127 8.350 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -0.153 -13.011 9.035 1.00 0.00 H new ATOM 0 HB3 GLU A 144 1.019 -12.710 7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 144 2.527 -11.934 9.275 1.00 0.00 H new ATOM 0 HG3 GLU A 144 1.393 -10.729 9.850 1.00 0.00 H new ATOM 2256 N LEU A 145 0.143 -10.188 5.955 1.00 0.00 N ATOM 2257 CA LEU A 145 0.082 -10.051 4.497 1.00 0.00 C ATOM 2258 C LEU A 145 0.862 -11.224 3.878 1.00 0.00 C ATOM 2259 O LEU A 145 1.844 -11.712 4.436 1.00 0.00 O ATOM 2260 CB LEU A 145 0.692 -8.735 4.011 1.00 0.00 C ATOM 2261 CG LEU A 145 0.365 -7.533 4.888 1.00 0.00 C ATOM 2262 CD1 LEU A 145 1.641 -7.037 5.571 1.00 0.00 C ATOM 2263 CD2 LEU A 145 -0.187 -6.405 4.029 1.00 0.00 C ATOM 0 H LEU A 145 0.703 -9.473 6.419 1.00 0.00 H new ATOM 0 HA LEU A 145 -0.965 -10.056 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 145 1.775 -8.848 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 145 0.342 -8.537 2.998 1.00 0.00 H new ATOM 0 HG LEU A 145 -0.372 -7.830 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 145 1.407 -6.177 6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 145 2.057 -7.834 6.188 1.00 0.00 H new ATOM 0 HD13 LEU A 145 2.369 -6.746 4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -0.420 -5.547 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 145 0.556 -6.117 3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -1.093 -6.741 3.525 1.00 0.00 H new ATOM 2275 N LYS A 146 0.374 -11.666 2.734 1.00 0.00 N ATOM 2276 CA LYS A 146 1.020 -12.768 2.001 1.00 0.00 C ATOM 2277 C LYS A 146 1.419 -12.268 0.621 1.00 0.00 C ATOM 2278 O LYS A 146 0.583 -11.726 -0.116 1.00 0.00 O ATOM 2279 CB LYS A 146 0.046 -13.937 1.893 1.00 0.00 C ATOM 2280 CG LYS A 146 0.796 -15.273 1.833 1.00 0.00 C ATOM 2281 CD LYS A 146 0.380 -16.097 0.611 1.00 0.00 C ATOM 2282 CE LYS A 146 0.973 -17.505 0.664 1.00 0.00 C ATOM 2283 NZ LYS A 146 2.441 -17.463 0.696 1.00 0.00 N ATOM 0 H LYS A 146 -0.461 -11.290 2.285 1.00 0.00 H new ATOM 0 HA LYS A 146 1.912 -13.108 2.527 1.00 0.00 H new ATOM 0 HB2 LYS A 146 -0.629 -13.933 2.749 1.00 0.00 H new ATOM 0 HB3 LYS A 146 -0.570 -13.821 1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 146 1.870 -15.087 1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 146 0.599 -15.843 2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 146 -0.707 -16.159 0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 146 0.710 -15.595 -0.299 1.00 0.00 H new ATOM 0 HE2 LYS A 146 0.602 -18.025 1.547 1.00 0.00 H new ATOM 0 HE3 LYS A 146 0.642 -18.075 -0.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 2.818 -18.425 0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 2.788 -16.858 -0.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 2.757 -17.076 1.608 1.00 0.00 H new ATOM 2297 N LEU A 147 2.724 -12.271 0.417 1.00 0.00 N ATOM 2298 CA LEU A 147 3.345 -11.931 -0.883 1.00 0.00 C ATOM 2299 C LEU A 147 2.615 -12.658 -2.005 1.00 0.00 C ATOM 2300 O LEU A 147 2.585 -13.890 -2.028 1.00 0.00 O ATOM 2301 CB LEU A 147 4.841 -12.277 -0.850 1.00 0.00 C ATOM 2302 CG LEU A 147 5.470 -12.309 -2.256 1.00 0.00 C ATOM 2303 CD1 LEU A 147 5.792 -10.903 -2.767 1.00 0.00 C ATOM 2304 CD2 LEU A 147 6.696 -13.217 -2.282 1.00 0.00 C ATOM 0 H LEU A 147 3.400 -12.509 1.143 1.00 0.00 H new ATOM 0 HA LEU A 147 3.259 -10.861 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 147 5.367 -11.545 -0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 147 4.976 -13.248 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 147 4.732 -12.729 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 147 6.234 -10.970 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 147 4.876 -10.315 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 147 6.496 -10.422 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 147 7.123 -13.223 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 147 7.438 -12.847 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 147 6.404 -14.230 -2.005 1.00 0.00 H new ATOM 2316 N CYS A 148 1.875 -11.861 -2.760 1.00 0.00 N ATOM 2317 CA CYS A 148 1.137 -12.347 -3.931 1.00 0.00 C ATOM 2318 C CYS A 148 2.132 -13.027 -4.875 1.00 0.00 C ATOM 2319 O CYS A 148 3.353 -12.971 -4.719 1.00 0.00 O ATOM 2320 CB CYS A 148 0.396 -11.210 -4.651 1.00 0.00 C ATOM 2321 SG CYS A 148 -0.608 -10.171 -3.526 1.00 0.00 S ATOM 0 H CYS A 148 1.765 -10.862 -2.585 1.00 0.00 H new ATOM 0 HA CYS A 148 0.377 -13.058 -3.606 1.00 0.00 H new ATOM 0 HB2 CYS A 148 1.123 -10.580 -5.164 1.00 0.00 H new ATOM 0 HB3 CYS A 148 -0.253 -11.636 -5.416 1.00 0.00 H new ATOM 2326 N SER A 149 1.571 -13.687 -5.866 1.00 0.00 N ATOM 2327 CA SER A 149 2.367 -14.486 -6.796 1.00 0.00 C ATOM 2328 C SER A 149 2.005 -14.116 -8.220 1.00 0.00 C ATOM 2329 O SER A 149 0.921 -13.625 -8.498 1.00 0.00 O ATOM 2330 CB SER A 149 2.098 -15.975 -6.586 1.00 0.00 C ATOM 2331 OG SER A 149 2.291 -16.301 -5.210 1.00 0.00 O ATOM 0 H SER A 149 0.569 -13.691 -6.055 1.00 0.00 H new ATOM 0 HA SER A 149 3.422 -14.284 -6.613 1.00 0.00 H new ATOM 0 HB2 SER A 149 1.080 -16.218 -6.890 1.00 0.00 H new ATOM 0 HB3 SER A 149 2.767 -16.568 -7.209 1.00 0.00 H new ATOM 0 HG SER A 149 2.117 -17.256 -5.073 1.00 0.00 H new ATOM 2337 N HIS A 150 2.932 -14.429 -9.109 1.00 0.00 N ATOM 2338 CA HIS A 150 2.747 -14.192 -10.546 1.00 0.00 C ATOM 2339 C HIS A 150 2.996 -15.417 -11.443 1.00 0.00 C ATOM 2340 O HIS A 150 3.542 -16.408 -10.906 1.00 0.00 O ATOM 2341 CB HIS A 150 3.619 -13.022 -10.986 1.00 0.00 C ATOM 2342 CG HIS A 150 5.065 -13.052 -10.482 1.00 0.00 C ATOM 2343 ND1 HIS A 150 5.477 -12.630 -9.301 1.00 0.00 N flip ATOM 2344 CD2 HIS A 150 6.128 -13.471 -11.150 1.00 0.00 C flip ATOM 2345 CE1 HIS A 150 6.784 -12.774 -9.231 1.00 0.00 C flip ATOM 2346 NE2 HIS A 150 7.201 -13.308 -10.382 1.00 0.00 N flip ATOM 2347 OXT HIS A 150 2.628 -15.344 -12.634 1.00 0.00 O ATOM 0 H HIS A 150 3.829 -14.851 -8.867 1.00 0.00 H new ATOM 0 HA HIS A 150 1.690 -13.959 -10.678 1.00 0.00 H new ATOM 0 HB2 HIS A 150 3.633 -12.991 -12.075 1.00 0.00 H new ATOM 0 HB3 HIS A 150 3.153 -12.097 -10.647 1.00 0.00 H new ATOM 0 HD1 HIS A 150 4.881 -12.254 -8.564 1.00 0.00 H new ATOM 0 HD2 HIS A 150 6.124 -13.877 -12.151 1.00 0.00 H new ATOM 0 HE1 HIS A 150 7.409 -12.507 -8.391 1.00 0.00 H new