USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1070 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 57 CYS SG : rot -150:sc= 0.923 USER MOD Set 1.2: A 68 CYS SG : rot -93:sc= 1.08 USER MOD Set 2.1: A 46 LYS NZ :NH3+ 177:sc= 2.4 (180deg=2.35) USER MOD Set 2.2: B 117 ASN : amide:sc=-0.000439 X(o=2.4,f=2.3) USER MOD Set 3.1: A 35 GLN : amide:sc= -0.66 X(o=-0.85,f=-1.2) USER MOD Set 3.2: A 40 HIS : no HD1:sc= -0.192 K(o=-0.85,f=-1.5) USER MOD Set 4.1: A 34 SER OG : rot -118:sc= 0.454 USER MOD Set 4.2: A 36 SER OG : rot 180:sc= 0.452 USER MOD Set 5.1: A 30 GLN : amide:sc= 1.4 K(o=2.4,f=-3.6) USER MOD Set 5.2: A 38 HIS : no HE2:sc= 1.02 K(o=2.4,f=-7!) USER MOD Single : A 1 TYR N :NH3+ 156:sc= 0.506 (180deg=0.107) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 13:sc= 0.495 USER MOD Single : A 9 MET CE :methyl 166:sc= 0 (180deg=-0.191) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0.117 USER MOD Single : A 15 ASN : amide:sc= -0.0501 K(o=-0.05,f=-1.3!) USER MOD Single : A 16 TYR OH : rot 150:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 170:sc= -0.0251 USER MOD Single : A 24 MET CE :methyl 160:sc= -0.0331 (180deg=-0.324) USER MOD Single : A 25 SER OG : rot -22:sc= 1.11 USER MOD Single : A 29 CYS SG : rot -38:sc= -2.75! USER MOD Single : A 42 TYR OH : rot 130:sc= -1.22 USER MOD Single : A 45 SER OG : rot 180:sc= -0.0769 USER MOD Single : A 49 ASN : amide:sc= 0.0892 K(o=0.089,f=-4.2!) USER MOD Single : A 50 LYS NZ :NH3+ 130:sc= 1.26 (180deg=-0.295) USER MOD Single : A 51 ASN : amide:sc= 1.1 K(o=1.1,f=-1.3) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.182 K(o=0.18,f=-4.8!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.0588 K(o=0.059,f=-11!) USER MOD Single : A 70 THR OG1 : rot 98:sc= 1.33 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -0.587 F(o=-1.2,f=-0.59) USER MOD Single : A 75 LYS NZ :NH3+ -97:sc= 1.13 (180deg=-0.795) USER MOD Single : A 79 TYR OH : rot 179:sc= 1.25 USER MOD Single : A 80 CYS SG : rot 91:sc= -0.488 USER MOD Single : A 85 CYS SG : rot 45:sc= 0.0591 USER MOD Single : B 102 SER OG : rot 180:sc= 0.233 USER MOD Single : B 105 LYS NZ :NH3+ -109:sc= 2.46 (180deg=-0.605) USER MOD Single : B 107 THR OG1 : rot -45:sc= 1.06 USER MOD Single : B 113 GLN : amide:sc= -0.0461 X(o=-0.046,f=-0.068) USER MOD Single : B 116 LYS NZ :NH3+ 162:sc= 1.09 (180deg=0.305) USER MOD Single : B 129 LYS NZ :NH3+ 147:sc= 2.19 (180deg=-1.11) USER MOD Single : B 130 SER OG : rot -17:sc= 1.24 USER MOD Single : B 133 HIS :FLIP no HD1:sc= -0.0574 F(o=-1,f=-0.057) USER MOD Single : B 135 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.011) USER MOD Single : B 137 LYS NZ :NH3+ 168:sc= 1.26 (180deg=1.09) USER MOD Single : B 138 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0284) USER MOD Single : B 143 LYS NZ :NH3+ -146:sc= 3.74 (180deg=2.42) USER MOD Single : B 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 152 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -21.591 5.754 -12.577 1.00 15.00 N ATOM 2 CA TYR A 1 -22.582 6.468 -13.420 1.00 15.00 C ATOM 3 C TYR A 1 -22.948 7.807 -12.784 1.00 15.00 C ATOM 4 O TYR A 1 -22.608 8.868 -13.306 1.00 15.00 O ATOM 5 CB TYR A 1 -23.849 5.618 -13.604 1.00 15.00 C ATOM 6 CG TYR A 1 -23.580 4.163 -13.923 1.00 15.00 C ATOM 7 CD1 TYR A 1 -23.023 3.787 -15.141 1.00 15.00 C ATOM 8 CD2 TYR A 1 -23.878 3.165 -13.002 1.00 15.00 C ATOM 9 CE1 TYR A 1 -22.769 2.459 -15.428 1.00 15.00 C ATOM 10 CE2 TYR A 1 -23.627 1.836 -13.286 1.00 15.00 C ATOM 11 CZ TYR A 1 -23.074 1.490 -14.498 1.00 15.00 C ATOM 12 OH TYR A 1 -22.817 0.169 -14.778 1.00 15.00 O ATOM 0 H1 TYR A 1 -21.647 4.733 -12.765 1.00 15.00 H new ATOM 0 H2 TYR A 1 -20.634 6.095 -12.801 1.00 15.00 H new ATOM 0 H3 TYR A 1 -21.796 5.933 -11.573 1.00 15.00 H new ATOM 0 HA TYR A 1 -22.134 6.646 -14.398 1.00 15.00 H new ATOM 0 HB2 TYR A 1 -24.446 5.674 -12.694 1.00 15.00 H new ATOM 0 HB3 TYR A 1 -24.449 6.049 -14.406 1.00 15.00 H new ATOM 0 HD1 TYR A 1 -22.785 4.544 -15.873 1.00 15.00 H new ATOM 0 HD2 TYR A 1 -24.312 3.432 -12.050 1.00 15.00 H new ATOM 0 HE1 TYR A 1 -22.334 2.183 -16.377 1.00 15.00 H new ATOM 0 HE2 TYR A 1 -23.864 1.072 -12.560 1.00 15.00 H new ATOM 0 HH TYR A 1 -23.090 -0.386 -14.017 1.00 15.00 H new ATOM 24 N VAL A 2 -23.638 7.747 -11.654 1.00 15.00 N ATOM 25 CA VAL A 2 -24.055 8.948 -10.940 1.00 15.00 C ATOM 26 C VAL A 2 -23.318 9.070 -9.607 1.00 15.00 C ATOM 27 O VAL A 2 -22.736 8.099 -9.121 1.00 15.00 O ATOM 28 CB VAL A 2 -25.579 8.950 -10.677 1.00 15.00 C ATOM 29 CG1 VAL A 2 -26.351 9.027 -11.983 1.00 15.00 C ATOM 30 CG2 VAL A 2 -25.996 7.719 -9.885 1.00 15.00 C ATOM 0 H VAL A 2 -23.923 6.875 -11.209 1.00 15.00 H new ATOM 0 HA VAL A 2 -23.806 9.799 -11.574 1.00 15.00 H new ATOM 0 HB VAL A 2 -25.815 9.834 -10.084 1.00 15.00 H new ATOM 0 HG11 VAL A 2 -27.421 9.027 -11.774 1.00 15.00 H new ATOM 0 HG12 VAL A 2 -26.084 9.943 -12.510 1.00 15.00 H new ATOM 0 HG13 VAL A 2 -26.103 8.166 -12.604 1.00 15.00 H new ATOM 0 HG21 VAL A 2 -27.072 7.744 -9.713 1.00 15.00 H new ATOM 0 HG22 VAL A 2 -25.739 6.821 -10.447 1.00 15.00 H new ATOM 0 HG23 VAL A 2 -25.476 7.709 -8.927 1.00 15.00 H new ATOM 40 N GLU A 3 -23.366 10.253 -9.011 1.00 15.00 N ATOM 41 CA GLU A 3 -22.699 10.503 -7.737 1.00 15.00 C ATOM 42 C GLU A 3 -23.604 10.129 -6.564 1.00 15.00 C ATOM 43 O GLU A 3 -23.331 10.478 -5.413 1.00 15.00 O ATOM 44 CB GLU A 3 -22.294 11.973 -7.634 1.00 15.00 C ATOM 45 CG GLU A 3 -20.918 12.188 -7.022 1.00 15.00 C ATOM 46 CD GLU A 3 -19.809 11.598 -7.866 1.00 15.00 C ATOM 47 OE1 GLU A 3 -19.309 12.298 -8.769 1.00 15.00 O ATOM 48 OE2 GLU A 3 -19.437 10.427 -7.637 1.00 15.00 O1- ATOM 0 H GLU A 3 -23.862 11.060 -9.390 1.00 15.00 H new ATOM 0 HA GLU A 3 -21.805 9.881 -7.694 1.00 15.00 H new ATOM 0 HB2 GLU A 3 -22.312 12.416 -8.630 1.00 15.00 H new ATOM 0 HB3 GLU A 3 -23.035 12.503 -7.036 1.00 15.00 H new ATOM 0 HG2 GLU A 3 -20.744 13.256 -6.894 1.00 15.00 H new ATOM 0 HG3 GLU A 3 -20.892 11.740 -6.029 1.00 15.00 H new ATOM 55 N PHE A 4 -24.681 9.417 -6.866 1.00 15.00 N ATOM 56 CA PHE A 4 -25.625 8.985 -5.849 1.00 15.00 C ATOM 57 C PHE A 4 -25.427 7.499 -5.556 1.00 15.00 C ATOM 58 O PHE A 4 -26.230 6.655 -5.968 1.00 15.00 O ATOM 59 CB PHE A 4 -27.066 9.261 -6.298 1.00 15.00 C ATOM 60 CG PHE A 4 -27.356 10.715 -6.551 1.00 15.00 C ATOM 61 CD1 PHE A 4 -27.709 11.560 -5.509 1.00 15.00 C ATOM 62 CD2 PHE A 4 -27.273 11.237 -7.833 1.00 15.00 C ATOM 63 CE1 PHE A 4 -27.975 12.897 -5.741 1.00 15.00 C ATOM 64 CE2 PHE A 4 -27.537 12.573 -8.070 1.00 15.00 C ATOM 65 CZ PHE A 4 -27.887 13.404 -7.024 1.00 15.00 C ATOM 0 H PHE A 4 -24.922 9.126 -7.813 1.00 15.00 H new ATOM 0 HA PHE A 4 -25.442 9.551 -4.935 1.00 15.00 H new ATOM 0 HB2 PHE A 4 -27.267 8.696 -7.208 1.00 15.00 H new ATOM 0 HB3 PHE A 4 -27.751 8.891 -5.535 1.00 15.00 H new ATOM 0 HD1 PHE A 4 -27.777 11.169 -4.505 1.00 15.00 H new ATOM 0 HD2 PHE A 4 -26.999 10.593 -8.655 1.00 15.00 H new ATOM 0 HE1 PHE A 4 -28.251 13.544 -4.921 1.00 15.00 H new ATOM 0 HE2 PHE A 4 -27.470 12.967 -9.073 1.00 15.00 H new ATOM 0 HZ PHE A 4 -28.092 14.448 -7.208 1.00 15.00 H new ATOM 75 N SER A 5 -24.335 7.191 -4.869 1.00 15.00 N ATOM 76 CA SER A 5 -24.006 5.818 -4.523 1.00 15.00 C ATOM 77 C SER A 5 -24.239 5.549 -3.038 1.00 15.00 C ATOM 78 O SER A 5 -23.556 6.111 -2.178 1.00 15.00 O ATOM 79 CB SER A 5 -22.547 5.537 -4.888 1.00 15.00 C ATOM 80 OG SER A 5 -21.941 6.675 -5.489 1.00 15.00 O ATOM 0 H SER A 5 -23.659 7.880 -4.539 1.00 15.00 H new ATOM 0 HA SER A 5 -24.660 5.153 -5.087 1.00 15.00 H new ATOM 0 HB2 SER A 5 -21.993 5.256 -3.993 1.00 15.00 H new ATOM 0 HB3 SER A 5 -22.497 4.690 -5.573 1.00 15.00 H new ATOM 0 HG SER A 5 -21.009 6.470 -5.711 1.00 15.00 H new ATOM 86 N GLU A 6 -25.205 4.690 -2.739 1.00 15.00 N ATOM 87 CA GLU A 6 -25.520 4.346 -1.361 1.00 15.00 C ATOM 88 C GLU A 6 -25.262 2.865 -1.112 1.00 15.00 C ATOM 89 O GLU A 6 -25.927 2.003 -1.691 1.00 15.00 O ATOM 90 CB GLU A 6 -26.978 4.681 -1.032 1.00 15.00 C ATOM 91 CG GLU A 6 -27.229 4.864 0.454 1.00 15.00 C ATOM 92 CD GLU A 6 -26.382 5.973 1.046 1.00 15.00 C ATOM 93 OE1 GLU A 6 -25.310 5.674 1.616 1.00 15.00 O ATOM 94 OE2 GLU A 6 -26.780 7.152 0.934 1.00 15.00 O1- ATOM 0 H GLU A 6 -25.784 4.219 -3.434 1.00 15.00 H new ATOM 0 HA GLU A 6 -24.874 4.936 -0.711 1.00 15.00 H new ATOM 0 HB2 GLU A 6 -27.262 5.593 -1.557 1.00 15.00 H new ATOM 0 HB3 GLU A 6 -27.621 3.884 -1.407 1.00 15.00 H new ATOM 0 HG2 GLU A 6 -28.283 5.088 0.618 1.00 15.00 H new ATOM 0 HG3 GLU A 6 -27.017 3.930 0.974 1.00 15.00 H new ATOM 101 N GLU A 7 -24.290 2.573 -0.261 1.00 15.00 N ATOM 102 CA GLU A 7 -23.943 1.195 0.052 1.00 15.00 C ATOM 103 C GLU A 7 -23.211 1.103 1.381 1.00 15.00 C ATOM 104 O GLU A 7 -22.916 2.122 2.009 1.00 15.00 O ATOM 105 CB GLU A 7 -23.076 0.605 -1.058 1.00 15.00 C ATOM 106 CG GLU A 7 -21.951 1.524 -1.495 1.00 15.00 C ATOM 107 CD GLU A 7 -21.349 1.109 -2.815 1.00 15.00 C ATOM 108 OE1 GLU A 7 -20.115 0.949 -2.886 1.00 15.00 O ATOM 109 OE2 GLU A 7 -22.110 0.942 -3.793 1.00 15.00 O1- ATOM 0 H GLU A 7 -23.728 3.272 0.225 1.00 15.00 H new ATOM 0 HA GLU A 7 -24.868 0.624 0.129 1.00 15.00 H new ATOM 0 HB2 GLU A 7 -22.652 -0.339 -0.715 1.00 15.00 H new ATOM 0 HB3 GLU A 7 -23.705 0.378 -1.919 1.00 15.00 H new ATOM 0 HG2 GLU A 7 -22.329 2.543 -1.575 1.00 15.00 H new ATOM 0 HG3 GLU A 7 -21.174 1.531 -0.731 1.00 15.00 H new ATOM 116 N CYS A 8 -22.935 -0.121 1.808 1.00 15.00 N ATOM 117 CA CYS A 8 -22.230 -0.369 3.056 1.00 15.00 C ATOM 118 C CYS A 8 -21.414 -1.651 2.951 1.00 15.00 C ATOM 119 O CYS A 8 -21.840 -2.615 2.311 1.00 15.00 O ATOM 120 CB CYS A 8 -23.221 -0.474 4.220 1.00 15.00 C ATOM 121 SG CYS A 8 -24.036 1.084 4.638 1.00 15.00 S ATOM 0 H CYS A 8 -23.193 -0.967 1.300 1.00 15.00 H new ATOM 0 HA CYS A 8 -21.557 0.467 3.245 1.00 15.00 H new ATOM 0 HB2 CYS A 8 -23.981 -1.214 3.970 1.00 15.00 H new ATOM 0 HB3 CYS A 8 -22.694 -0.843 5.100 1.00 15.00 H new ATOM 0 HG CYS A 8 -23.835 1.948 3.687 1.00 15.00 H new ATOM 127 N MET A 9 -20.249 -1.662 3.577 1.00 15.00 N ATOM 128 CA MET A 9 -19.372 -2.825 3.551 1.00 15.00 C ATOM 129 C MET A 9 -19.261 -3.435 4.943 1.00 15.00 C ATOM 130 O MET A 9 -19.658 -2.813 5.932 1.00 15.00 O ATOM 131 CB MET A 9 -17.989 -2.436 3.025 1.00 15.00 C ATOM 132 CG MET A 9 -18.016 -1.890 1.607 1.00 15.00 C ATOM 133 SD MET A 9 -18.684 -3.068 0.413 1.00 15.00 S ATOM 134 CE MET A 9 -19.005 -1.986 -0.980 1.00 15.00 C ATOM 0 H MET A 9 -19.885 -0.874 4.113 1.00 15.00 H new ATOM 0 HA MET A 9 -19.800 -3.570 2.880 1.00 15.00 H new ATOM 0 HB2 MET A 9 -17.554 -1.687 3.687 1.00 15.00 H new ATOM 0 HB3 MET A 9 -17.337 -3.309 3.058 1.00 15.00 H new ATOM 0 HG2 MET A 9 -18.615 -0.979 1.585 1.00 15.00 H new ATOM 0 HG3 MET A 9 -17.004 -1.614 1.310 1.00 15.00 H new ATOM 0 HE1 MET A 9 -19.183 -2.585 -1.873 1.00 15.00 H new ATOM 0 HE2 MET A 9 -19.884 -1.376 -0.772 1.00 15.00 H new ATOM 0 HE3 MET A 9 -18.144 -1.338 -1.143 1.00 15.00 H new ATOM 144 N HIS A 10 -18.729 -4.646 5.017 1.00 15.00 N ATOM 145 CA HIS A 10 -18.600 -5.351 6.287 1.00 15.00 C ATOM 146 C HIS A 10 -17.285 -5.021 6.998 1.00 15.00 C ATOM 147 O HIS A 10 -16.237 -5.591 6.689 1.00 15.00 O ATOM 148 CB HIS A 10 -18.715 -6.862 6.066 1.00 15.00 C ATOM 149 CG HIS A 10 -18.572 -7.675 7.318 1.00 15.00 C ATOM 150 ND1 HIS A 10 -19.452 -7.545 8.369 1.00 15.00 N ATOM 151 CD2 HIS A 10 -17.637 -8.602 7.638 1.00 15.00 C ATOM 152 CE1 HIS A 10 -19.032 -8.389 9.298 1.00 15.00 C ATOM 153 NE2 HIS A 10 -17.935 -9.045 8.900 1.00 15.00 N ATOM 0 H HIS A 10 -18.378 -5.163 4.211 1.00 15.00 H new ATOM 0 HA HIS A 10 -19.413 -5.015 6.931 1.00 15.00 H new ATOM 0 HB2 HIS A 10 -19.682 -7.080 5.612 1.00 15.00 H new ATOM 0 HB3 HIS A 10 -17.951 -7.174 5.354 1.00 15.00 H new ATOM 0 HD2 HIS A 10 -16.815 -8.929 7.018 1.00 15.00 H new ATOM 0 HE1 HIS A 10 -19.513 -8.530 10.255 1.00 15.00 H new ATOM 0 HE2 HIS A 10 -17.418 -9.743 9.435 1.00 15.00 H new ATOM 161 N GLY A 11 -17.367 -4.088 7.941 1.00 15.00 N ATOM 162 CA GLY A 11 -16.225 -3.683 8.739 1.00 15.00 C ATOM 163 C GLY A 11 -14.999 -3.329 7.929 1.00 15.00 C ATOM 164 O GLY A 11 -15.026 -2.394 7.128 1.00 15.00 O ATOM 0 H GLY A 11 -18.229 -3.594 8.170 1.00 15.00 H new ATOM 0 HA2 GLY A 11 -16.507 -2.823 9.346 1.00 15.00 H new ATOM 0 HA3 GLY A 11 -15.972 -4.490 9.427 1.00 15.00 H new ATOM 168 N SER A 12 -13.932 -4.093 8.132 1.00 15.00 N ATOM 169 CA SER A 12 -12.667 -3.871 7.441 1.00 15.00 C ATOM 170 C SER A 12 -12.796 -4.096 5.940 1.00 15.00 C ATOM 171 O SER A 12 -12.031 -3.540 5.154 1.00 15.00 O ATOM 172 CB SER A 12 -11.596 -4.801 8.014 1.00 15.00 C ATOM 173 OG SER A 12 -12.182 -5.944 8.619 1.00 15.00 O ATOM 0 H SER A 12 -13.919 -4.882 8.778 1.00 15.00 H new ATOM 0 HA SER A 12 -12.379 -2.832 7.598 1.00 15.00 H new ATOM 0 HB2 SER A 12 -10.918 -5.113 7.219 1.00 15.00 H new ATOM 0 HB3 SER A 12 -10.998 -4.263 8.749 1.00 15.00 H new ATOM 0 HG SER A 12 -11.477 -6.523 8.976 1.00 15.00 H new ATOM 179 N GLY A 13 -13.771 -4.905 5.545 1.00 15.00 N ATOM 180 CA GLY A 13 -13.970 -5.188 4.143 1.00 15.00 C ATOM 181 C GLY A 13 -12.836 -6.005 3.561 1.00 15.00 C ATOM 182 O GLY A 13 -12.288 -5.663 2.517 1.00 15.00 O ATOM 0 H GLY A 13 -14.426 -5.369 6.174 1.00 15.00 H new ATOM 0 HA2 GLY A 13 -14.909 -5.726 4.012 1.00 15.00 H new ATOM 0 HA3 GLY A 13 -14.060 -4.251 3.594 1.00 15.00 H new ATOM 186 N GLU A 14 -12.475 -7.085 4.240 1.00 15.00 N ATOM 187 CA GLU A 14 -11.400 -7.951 3.777 1.00 15.00 C ATOM 188 C GLU A 14 -11.786 -8.616 2.460 1.00 15.00 C ATOM 189 O GLU A 14 -10.936 -8.918 1.620 1.00 15.00 O ATOM 190 CB GLU A 14 -11.094 -9.011 4.830 1.00 15.00 C ATOM 191 CG GLU A 14 -9.822 -9.794 4.557 1.00 15.00 C ATOM 192 CD GLU A 14 -9.688 -11.005 5.453 1.00 15.00 C ATOM 193 OE1 GLU A 14 -9.462 -12.118 4.930 1.00 15.00 O ATOM 194 OE2 GLU A 14 -9.809 -10.852 6.681 1.00 15.00 O1- ATOM 0 H GLU A 14 -12.911 -7.382 5.113 1.00 15.00 H new ATOM 0 HA GLU A 14 -10.508 -7.346 3.614 1.00 15.00 H new ATOM 0 HB2 GLU A 14 -11.011 -8.529 5.804 1.00 15.00 H new ATOM 0 HB3 GLU A 14 -11.932 -9.705 4.888 1.00 15.00 H new ATOM 0 HG2 GLU A 14 -9.812 -10.113 3.515 1.00 15.00 H new ATOM 0 HG3 GLU A 14 -8.960 -9.143 4.699 1.00 15.00 H new ATOM 201 N ASN A 15 -13.081 -8.820 2.280 1.00 15.00 N ATOM 202 CA ASN A 15 -13.603 -9.445 1.074 1.00 15.00 C ATOM 203 C ASN A 15 -14.016 -8.387 0.055 1.00 15.00 C ATOM 204 O ASN A 15 -14.896 -8.616 -0.779 1.00 15.00 O ATOM 205 CB ASN A 15 -14.798 -10.343 1.415 1.00 15.00 C ATOM 206 CG ASN A 15 -14.374 -11.653 2.054 1.00 15.00 C ATOM 207 OD1 ASN A 15 -13.295 -12.175 1.769 1.00 15.00 O ATOM 208 ND2 ASN A 15 -15.212 -12.195 2.924 1.00 15.00 N ATOM 0 H ASN A 15 -13.796 -8.560 2.960 1.00 15.00 H new ATOM 0 HA ASN A 15 -12.815 -10.058 0.637 1.00 15.00 H new ATOM 0 HB2 ASN A 15 -15.467 -9.811 2.092 1.00 15.00 H new ATOM 0 HB3 ASN A 15 -15.363 -10.551 0.507 1.00 15.00 H new ATOM 0 HD21 ASN A 15 -14.973 -13.074 3.383 1.00 15.00 H new ATOM 0 HD22 ASN A 15 -16.097 -11.734 3.135 1.00 15.00 H new ATOM 215 N TYR A 16 -13.377 -7.224 0.129 1.00 15.00 N ATOM 216 CA TYR A 16 -13.677 -6.134 -0.785 1.00 15.00 C ATOM 217 C TYR A 16 -13.095 -6.412 -2.163 1.00 15.00 C ATOM 218 O TYR A 16 -11.877 -6.393 -2.352 1.00 15.00 O ATOM 219 CB TYR A 16 -13.134 -4.806 -0.247 1.00 15.00 C ATOM 220 CG TYR A 16 -13.512 -3.610 -1.089 1.00 15.00 C ATOM 221 CD1 TYR A 16 -14.838 -3.209 -1.199 1.00 15.00 C ATOM 222 CD2 TYR A 16 -12.545 -2.881 -1.772 1.00 15.00 C ATOM 223 CE1 TYR A 16 -15.193 -2.118 -1.967 1.00 15.00 C ATOM 224 CE2 TYR A 16 -12.893 -1.786 -2.541 1.00 15.00 C ATOM 225 CZ TYR A 16 -14.217 -1.410 -2.636 1.00 15.00 C ATOM 226 OH TYR A 16 -14.565 -0.324 -3.402 1.00 15.00 O ATOM 0 H TYR A 16 -12.649 -7.015 0.813 1.00 15.00 H new ATOM 0 HA TYR A 16 -14.761 -6.058 -0.870 1.00 15.00 H new ATOM 0 HB2 TYR A 16 -13.504 -4.657 0.767 1.00 15.00 H new ATOM 0 HB3 TYR A 16 -12.047 -4.866 -0.184 1.00 15.00 H new ATOM 0 HD1 TYR A 16 -15.604 -3.760 -0.675 1.00 15.00 H new ATOM 0 HD2 TYR A 16 -11.508 -3.174 -1.701 1.00 15.00 H new ATOM 0 HE1 TYR A 16 -16.229 -1.821 -2.043 1.00 15.00 H new ATOM 0 HE2 TYR A 16 -12.132 -1.227 -3.065 1.00 15.00 H new ATOM 0 HH TYR A 16 -13.828 0.322 -3.408 1.00 15.00 H new ATOM 236 N ASP A 17 -13.977 -6.681 -3.115 1.00 15.00 N ATOM 237 CA ASP A 17 -13.584 -6.947 -4.491 1.00 15.00 C ATOM 238 C ASP A 17 -14.096 -5.812 -5.374 1.00 15.00 C ATOM 239 O ASP A 17 -14.211 -5.946 -6.592 1.00 15.00 O ATOM 240 CB ASP A 17 -14.154 -8.293 -4.966 1.00 15.00 C ATOM 241 CG ASP A 17 -13.439 -8.835 -6.192 1.00 15.00 C ATOM 242 OD1 ASP A 17 -14.019 -8.789 -7.302 1.00 15.00 O ATOM 243 OD2 ASP A 17 -12.295 -9.310 -6.055 1.00 15.00 O1- ATOM 0 H ASP A 17 -14.984 -6.721 -2.955 1.00 15.00 H new ATOM 0 HA ASP A 17 -12.497 -7.003 -4.555 1.00 15.00 H new ATOM 0 HB2 ASP A 17 -14.080 -9.020 -4.157 1.00 15.00 H new ATOM 0 HB3 ASP A 17 -15.214 -8.174 -5.192 1.00 15.00 H new ATOM 248 N GLY A 18 -14.407 -4.690 -4.732 1.00 15.00 N ATOM 249 CA GLY A 18 -14.916 -3.529 -5.436 1.00 15.00 C ATOM 250 C GLY A 18 -13.944 -3.000 -6.467 1.00 15.00 C ATOM 251 O GLY A 18 -12.731 -3.203 -6.359 1.00 15.00 O ATOM 0 H GLY A 18 -14.314 -4.565 -3.724 1.00 15.00 H new ATOM 0 HA2 GLY A 18 -15.854 -3.789 -5.927 1.00 15.00 H new ATOM 0 HA3 GLY A 18 -15.140 -2.742 -4.716 1.00 15.00 H new ATOM 255 N LYS A 19 -14.480 -2.313 -7.462 1.00 15.00 N ATOM 256 CA LYS A 19 -13.671 -1.756 -8.533 1.00 15.00 C ATOM 257 C LYS A 19 -13.342 -0.295 -8.258 1.00 15.00 C ATOM 258 O LYS A 19 -14.201 0.580 -8.366 1.00 15.00 O ATOM 259 CB LYS A 19 -14.407 -1.877 -9.869 1.00 15.00 C ATOM 260 CG LYS A 19 -14.902 -3.283 -10.167 1.00 15.00 C ATOM 261 CD LYS A 19 -16.408 -3.309 -10.393 1.00 15.00 C ATOM 262 CE LYS A 19 -16.798 -2.550 -11.651 1.00 15.00 C ATOM 263 NZ LYS A 19 -18.275 -2.473 -11.824 1.00 15.00 N1+ ATOM 0 H LYS A 19 -15.479 -2.127 -7.550 1.00 15.00 H new ATOM 0 HA LYS A 19 -12.739 -2.320 -8.583 1.00 15.00 H new ATOM 0 HB2 LYS A 19 -15.257 -1.194 -9.869 1.00 15.00 H new ATOM 0 HB3 LYS A 19 -13.741 -1.558 -10.671 1.00 15.00 H new ATOM 0 HG2 LYS A 19 -14.394 -3.669 -11.051 1.00 15.00 H new ATOM 0 HG3 LYS A 19 -14.646 -3.943 -9.338 1.00 15.00 H new ATOM 0 HD2 LYS A 19 -16.747 -4.342 -10.471 1.00 15.00 H new ATOM 0 HD3 LYS A 19 -16.913 -2.872 -9.532 1.00 15.00 H new ATOM 0 HE2 LYS A 19 -16.386 -1.542 -11.608 1.00 15.00 H new ATOM 0 HE3 LYS A 19 -16.357 -3.038 -12.520 1.00 15.00 H new ATOM 0 HZ1 LYS A 19 -18.496 -1.947 -12.694 1.00 15.00 H new ATOM 0 HZ2 LYS A 19 -18.667 -3.434 -11.891 1.00 15.00 H new ATOM 0 HZ3 LYS A 19 -18.695 -1.984 -11.008 1.00 15.00 H new ATOM 277 N ILE A 20 -12.099 -0.043 -7.883 1.00 15.00 N ATOM 278 CA ILE A 20 -11.640 1.305 -7.603 1.00 15.00 C ATOM 279 C ILE A 20 -10.118 1.364 -7.708 1.00 15.00 C ATOM 280 O ILE A 20 -9.415 0.518 -7.147 1.00 15.00 O ATOM 281 CB ILE A 20 -12.118 1.799 -6.212 1.00 15.00 C ATOM 282 CG1 ILE A 20 -11.673 3.244 -5.970 1.00 15.00 C ATOM 283 CG2 ILE A 20 -11.618 0.884 -5.101 1.00 15.00 C ATOM 284 CD1 ILE A 20 -12.405 3.928 -4.835 1.00 15.00 C ATOM 0 H ILE A 20 -11.385 -0.762 -7.765 1.00 15.00 H new ATOM 0 HA ILE A 20 -12.076 1.974 -8.345 1.00 15.00 H new ATOM 0 HB ILE A 20 -13.208 1.770 -6.201 1.00 15.00 H new ATOM 0 HG12 ILE A 20 -10.604 3.254 -5.758 1.00 15.00 H new ATOM 0 HG13 ILE A 20 -11.823 3.818 -6.884 1.00 15.00 H new ATOM 0 HG21 ILE A 20 -11.969 1.256 -4.138 1.00 15.00 H new ATOM 0 HG22 ILE A 20 -11.999 -0.125 -5.261 1.00 15.00 H new ATOM 0 HG23 ILE A 20 -10.528 0.866 -5.108 1.00 15.00 H new ATOM 0 HD11 ILE A 20 -12.035 4.947 -4.725 1.00 15.00 H new ATOM 0 HD12 ILE A 20 -13.473 3.951 -5.052 1.00 15.00 H new ATOM 0 HD13 ILE A 20 -12.235 3.379 -3.909 1.00 15.00 H new ATOM 296 N SER A 21 -9.622 2.334 -8.459 1.00 15.00 N ATOM 297 CA SER A 21 -8.189 2.495 -8.664 1.00 15.00 C ATOM 298 C SER A 21 -7.706 3.846 -8.148 1.00 15.00 C ATOM 299 O SER A 21 -6.659 4.343 -8.563 1.00 15.00 O ATOM 300 CB SER A 21 -7.870 2.358 -10.154 1.00 15.00 C ATOM 301 OG SER A 21 -9.001 2.694 -10.945 1.00 15.00 O ATOM 0 H SER A 21 -10.195 3.027 -8.941 1.00 15.00 H new ATOM 0 HA SER A 21 -7.669 1.718 -8.103 1.00 15.00 H new ATOM 0 HB2 SER A 21 -7.034 3.008 -10.413 1.00 15.00 H new ATOM 0 HB3 SER A 21 -7.559 1.336 -10.371 1.00 15.00 H new ATOM 0 HG SER A 21 -8.775 2.602 -11.894 1.00 15.00 H new ATOM 307 N LYS A 22 -8.469 4.436 -7.241 1.00 15.00 N ATOM 308 CA LYS A 22 -8.111 5.724 -6.667 1.00 15.00 C ATOM 309 C LYS A 22 -8.234 5.679 -5.150 1.00 15.00 C ATOM 310 O LYS A 22 -9.093 4.982 -4.609 1.00 15.00 O ATOM 311 CB LYS A 22 -8.996 6.835 -7.243 1.00 15.00 C ATOM 312 CG LYS A 22 -8.622 7.229 -8.664 1.00 15.00 C ATOM 313 CD LYS A 22 -9.580 8.261 -9.241 1.00 15.00 C ATOM 314 CE LYS A 22 -10.938 7.655 -9.565 1.00 15.00 C ATOM 315 NZ LYS A 22 -11.808 8.608 -10.307 1.00 15.00 N1+ ATOM 0 H LYS A 22 -9.341 4.043 -6.886 1.00 15.00 H new ATOM 0 HA LYS A 22 -7.075 5.942 -6.926 1.00 15.00 H new ATOM 0 HB2 LYS A 22 -10.035 6.507 -7.226 1.00 15.00 H new ATOM 0 HB3 LYS A 22 -8.929 7.713 -6.601 1.00 15.00 H new ATOM 0 HG2 LYS A 22 -7.608 7.630 -8.674 1.00 15.00 H new ATOM 0 HG3 LYS A 22 -8.620 6.342 -9.297 1.00 15.00 H new ATOM 0 HD2 LYS A 22 -9.707 9.077 -8.529 1.00 15.00 H new ATOM 0 HD3 LYS A 22 -9.149 8.691 -10.145 1.00 15.00 H new ATOM 0 HE2 LYS A 22 -10.800 6.751 -10.159 1.00 15.00 H new ATOM 0 HE3 LYS A 22 -11.432 7.356 -8.641 1.00 15.00 H new ATOM 0 HZ1 LYS A 22 -12.723 8.158 -10.509 1.00 15.00 H new ATOM 0 HZ2 LYS A 22 -11.961 9.460 -9.730 1.00 15.00 H new ATOM 0 HZ3 LYS A 22 -11.348 8.874 -11.201 1.00 15.00 H new ATOM 329 N THR A 23 -7.367 6.411 -4.470 1.00 15.00 N ATOM 330 CA THR A 23 -7.373 6.453 -3.015 1.00 15.00 C ATOM 331 C THR A 23 -8.334 7.528 -2.505 1.00 15.00 C ATOM 332 O THR A 23 -8.959 8.233 -3.299 1.00 15.00 O ATOM 333 CB THR A 23 -5.959 6.727 -2.474 1.00 15.00 C ATOM 334 OG1 THR A 23 -5.398 7.870 -3.134 1.00 15.00 O ATOM 335 CG2 THR A 23 -5.061 5.524 -2.699 1.00 15.00 C ATOM 0 H THR A 23 -6.646 6.987 -4.904 1.00 15.00 H new ATOM 0 HA THR A 23 -7.710 5.480 -2.656 1.00 15.00 H new ATOM 0 HB THR A 23 -6.030 6.921 -1.404 1.00 15.00 H new ATOM 0 HG1 THR A 23 -4.572 8.138 -2.679 1.00 15.00 H new ATOM 0 HG21 THR A 23 -4.065 5.736 -2.310 1.00 15.00 H new ATOM 0 HG22 THR A 23 -5.476 4.659 -2.182 1.00 15.00 H new ATOM 0 HG23 THR A 23 -4.996 5.313 -3.766 1.00 15.00 H new ATOM 343 N MET A 24 -8.435 7.662 -1.183 1.00 15.00 N ATOM 344 CA MET A 24 -9.323 8.657 -0.574 1.00 15.00 C ATOM 345 C MET A 24 -8.871 10.080 -0.899 1.00 15.00 C ATOM 346 O MET A 24 -9.665 11.020 -0.858 1.00 15.00 O ATOM 347 CB MET A 24 -9.396 8.463 0.949 1.00 15.00 C ATOM 348 CG MET A 24 -8.070 8.675 1.677 1.00 15.00 C ATOM 349 SD MET A 24 -7.760 10.402 2.103 1.00 15.00 S ATOM 350 CE MET A 24 -8.955 10.649 3.416 1.00 15.00 C ATOM 0 H MET A 24 -7.915 7.096 -0.513 1.00 15.00 H new ATOM 0 HA MET A 24 -10.317 8.510 -0.996 1.00 15.00 H new ATOM 0 HB2 MET A 24 -10.134 9.154 1.356 1.00 15.00 H new ATOM 0 HB3 MET A 24 -9.754 7.455 1.158 1.00 15.00 H new ATOM 0 HG2 MET A 24 -8.063 8.076 2.588 1.00 15.00 H new ATOM 0 HG3 MET A 24 -7.256 8.311 1.050 1.00 15.00 H new ATOM 0 HE1 MET A 24 -8.665 11.513 4.014 1.00 15.00 H new ATOM 0 HE2 MET A 24 -9.940 10.822 2.983 1.00 15.00 H new ATOM 0 HE3 MET A 24 -8.987 9.763 4.050 1.00 15.00 H new ATOM 360 N SER A 25 -7.596 10.230 -1.232 1.00 15.00 N ATOM 361 CA SER A 25 -7.043 11.537 -1.561 1.00 15.00 C ATOM 362 C SER A 25 -7.208 11.845 -3.050 1.00 15.00 C ATOM 363 O SER A 25 -6.750 12.880 -3.530 1.00 15.00 O ATOM 364 CB SER A 25 -5.565 11.586 -1.168 1.00 15.00 C ATOM 365 OG SER A 25 -5.360 11.000 0.108 1.00 15.00 O ATOM 0 H SER A 25 -6.925 9.463 -1.281 1.00 15.00 H new ATOM 0 HA SER A 25 -7.590 12.295 -1.000 1.00 15.00 H new ATOM 0 HB2 SER A 25 -4.969 11.060 -1.914 1.00 15.00 H new ATOM 0 HB3 SER A 25 -5.222 12.620 -1.157 1.00 15.00 H new ATOM 0 HG SER A 25 -6.202 11.003 0.609 1.00 15.00 H new ATOM 371 N GLY A 26 -7.860 10.937 -3.772 1.00 15.00 N ATOM 372 CA GLY A 26 -8.076 11.130 -5.197 1.00 15.00 C ATOM 373 C GLY A 26 -6.822 10.901 -6.017 1.00 15.00 C ATOM 374 O GLY A 26 -6.721 11.356 -7.157 1.00 15.00 O ATOM 0 H GLY A 26 -8.243 10.070 -3.396 1.00 15.00 H new ATOM 0 HA2 GLY A 26 -8.856 10.449 -5.537 1.00 15.00 H new ATOM 0 HA3 GLY A 26 -8.439 12.143 -5.371 1.00 15.00 H new ATOM 378 N LEU A 27 -5.864 10.189 -5.445 1.00 15.00 N ATOM 379 CA LEU A 27 -4.613 9.908 -6.131 1.00 15.00 C ATOM 380 C LEU A 27 -4.708 8.587 -6.883 1.00 15.00 C ATOM 381 O LEU A 27 -5.446 7.686 -6.476 1.00 15.00 O ATOM 382 CB LEU A 27 -3.456 9.869 -5.132 1.00 15.00 C ATOM 383 CG LEU A 27 -3.285 11.133 -4.288 1.00 15.00 C ATOM 384 CD1 LEU A 27 -2.279 10.898 -3.174 1.00 15.00 C ATOM 385 CD2 LEU A 27 -2.848 12.304 -5.157 1.00 15.00 C ATOM 0 H LEU A 27 -5.929 9.795 -4.506 1.00 15.00 H new ATOM 0 HA LEU A 27 -4.424 10.705 -6.850 1.00 15.00 H new ATOM 0 HB2 LEU A 27 -3.603 9.021 -4.463 1.00 15.00 H new ATOM 0 HB3 LEU A 27 -2.530 9.688 -5.678 1.00 15.00 H new ATOM 0 HG LEU A 27 -4.248 11.377 -3.840 1.00 15.00 H new ATOM 0 HD11 LEU A 27 -2.170 11.808 -2.584 1.00 15.00 H new ATOM 0 HD12 LEU A 27 -2.629 10.089 -2.532 1.00 15.00 H new ATOM 0 HD13 LEU A 27 -1.315 10.628 -3.605 1.00 15.00 H new ATOM 0 HD21 LEU A 27 -2.732 13.193 -4.538 1.00 15.00 H new ATOM 0 HD22 LEU A 27 -1.897 12.068 -5.634 1.00 15.00 H new ATOM 0 HD23 LEU A 27 -3.602 12.490 -5.922 1.00 15.00 H new ATOM 397 N GLU A 28 -3.964 8.482 -7.973 1.00 15.00 N ATOM 398 CA GLU A 28 -3.970 7.277 -8.792 1.00 15.00 C ATOM 399 C GLU A 28 -3.256 6.125 -8.096 1.00 15.00 C ATOM 400 O GLU A 28 -2.202 6.309 -7.480 1.00 15.00 O ATOM 401 CB GLU A 28 -3.306 7.547 -10.141 1.00 15.00 C ATOM 402 CG GLU A 28 -4.160 8.352 -11.107 1.00 15.00 C ATOM 403 CD GLU A 28 -3.612 8.325 -12.517 1.00 15.00 C ATOM 404 OE1 GLU A 28 -3.015 9.333 -12.951 1.00 15.00 O ATOM 405 OE2 GLU A 28 -3.779 7.293 -13.205 1.00 15.00 O1- ATOM 0 H GLU A 28 -3.346 9.219 -8.313 1.00 15.00 H new ATOM 0 HA GLU A 28 -5.011 6.993 -8.948 1.00 15.00 H new ATOM 0 HB2 GLU A 28 -2.369 8.079 -9.972 1.00 15.00 H new ATOM 0 HB3 GLU A 28 -3.052 6.594 -10.605 1.00 15.00 H new ATOM 0 HG2 GLU A 28 -5.176 7.957 -11.107 1.00 15.00 H new ATOM 0 HG3 GLU A 28 -4.220 9.384 -10.762 1.00 15.00 H new ATOM 412 N CYS A 29 -3.833 4.939 -8.207 1.00 15.00 N ATOM 413 CA CYS A 29 -3.266 3.742 -7.603 1.00 15.00 C ATOM 414 C CYS A 29 -2.413 2.988 -8.616 1.00 15.00 C ATOM 415 O CYS A 29 -2.784 2.864 -9.787 1.00 15.00 O ATOM 416 CB CYS A 29 -4.382 2.832 -7.081 1.00 15.00 C ATOM 417 SG CYS A 29 -3.851 1.157 -6.653 1.00 15.00 S ATOM 0 H CYS A 29 -4.703 4.778 -8.715 1.00 15.00 H new ATOM 0 HA CYS A 29 -2.634 4.044 -6.767 1.00 15.00 H new ATOM 0 HB2 CYS A 29 -4.827 3.294 -6.200 1.00 15.00 H new ATOM 0 HB3 CYS A 29 -5.164 2.769 -7.837 1.00 15.00 H new ATOM 0 HG CYS A 29 -2.971 0.747 -7.517 1.00 15.00 H new ATOM 423 N GLN A 30 -1.272 2.488 -8.158 1.00 15.00 N ATOM 424 CA GLN A 30 -0.359 1.735 -9.009 1.00 15.00 C ATOM 425 C GLN A 30 -0.806 0.281 -9.088 1.00 15.00 C ATOM 426 O GLN A 30 -1.395 -0.239 -8.140 1.00 15.00 O ATOM 427 CB GLN A 30 1.066 1.804 -8.452 1.00 15.00 C ATOM 428 CG GLN A 30 2.115 1.194 -9.371 1.00 15.00 C ATOM 429 CD GLN A 30 3.302 0.631 -8.616 1.00 15.00 C ATOM 430 OE1 GLN A 30 4.258 1.346 -8.324 1.00 15.00 O ATOM 431 NE2 GLN A 30 3.259 -0.656 -8.310 1.00 15.00 N ATOM 0 H GLN A 30 -0.955 2.592 -7.194 1.00 15.00 H new ATOM 0 HA GLN A 30 -0.371 2.173 -10.007 1.00 15.00 H new ATOM 0 HB2 GLN A 30 1.323 2.847 -8.265 1.00 15.00 H new ATOM 0 HB3 GLN A 30 1.096 1.291 -7.491 1.00 15.00 H new ATOM 0 HG2 GLN A 30 1.657 0.401 -9.962 1.00 15.00 H new ATOM 0 HG3 GLN A 30 2.463 1.953 -10.072 1.00 15.00 H new ATOM 0 HE21 GLN A 30 2.447 -1.215 -8.570 1.00 15.00 H new ATOM 0 HE22 GLN A 30 4.038 -1.089 -7.814 1.00 15.00 H new ATOM 440 N ALA A 31 -0.537 -0.365 -10.214 1.00 15.00 N ATOM 441 CA ALA A 31 -0.903 -1.760 -10.395 1.00 15.00 C ATOM 442 C ALA A 31 0.017 -2.659 -9.574 1.00 15.00 C ATOM 443 O ALA A 31 1.224 -2.420 -9.498 1.00 15.00 O ATOM 444 CB ALA A 31 -0.851 -2.137 -11.869 1.00 15.00 C ATOM 0 H ALA A 31 -0.067 0.056 -11.015 1.00 15.00 H new ATOM 0 HA ALA A 31 -1.925 -1.901 -10.043 1.00 15.00 H new ATOM 0 HB1 ALA A 31 -1.128 -3.185 -11.987 1.00 15.00 H new ATOM 0 HB2 ALA A 31 -1.547 -1.513 -12.429 1.00 15.00 H new ATOM 0 HB3 ALA A 31 0.159 -1.984 -12.248 1.00 15.00 H new ATOM 450 N TRP A 32 -0.555 -3.687 -8.964 1.00 15.00 N ATOM 451 CA TRP A 32 0.205 -4.620 -8.138 1.00 15.00 C ATOM 452 C TRP A 32 1.184 -5.423 -8.990 1.00 15.00 C ATOM 453 O TRP A 32 2.215 -5.891 -8.507 1.00 15.00 O ATOM 454 CB TRP A 32 -0.748 -5.569 -7.406 1.00 15.00 C ATOM 455 CG TRP A 32 -1.736 -4.875 -6.516 1.00 15.00 C ATOM 456 CD1 TRP A 32 -3.008 -4.492 -6.840 1.00 15.00 C ATOM 457 CD2 TRP A 32 -1.534 -4.492 -5.151 1.00 15.00 C ATOM 458 NE1 TRP A 32 -3.608 -3.889 -5.761 1.00 15.00 N ATOM 459 CE2 TRP A 32 -2.722 -3.876 -4.713 1.00 15.00 C ATOM 460 CE3 TRP A 32 -0.463 -4.605 -4.257 1.00 15.00 C ATOM 461 CZ2 TRP A 32 -2.867 -3.377 -3.419 1.00 15.00 C ATOM 462 CZ3 TRP A 32 -0.610 -4.112 -2.974 1.00 15.00 C ATOM 463 CH2 TRP A 32 -1.804 -3.503 -2.566 1.00 15.00 C ATOM 0 H TRP A 32 -1.551 -3.899 -9.025 1.00 15.00 H new ATOM 0 HA TRP A 32 0.773 -4.046 -7.406 1.00 15.00 H new ATOM 0 HB2 TRP A 32 -1.291 -6.161 -8.142 1.00 15.00 H new ATOM 0 HB3 TRP A 32 -0.162 -6.266 -6.807 1.00 15.00 H new ATOM 0 HD1 TRP A 32 -3.473 -4.642 -7.803 1.00 15.00 H new ATOM 0 HE1 TRP A 32 -4.556 -3.513 -5.742 1.00 15.00 H new ATOM 0 HE3 TRP A 32 0.462 -5.069 -4.564 1.00 15.00 H new ATOM 0 HZ2 TRP A 32 -3.786 -2.907 -3.101 1.00 15.00 H new ATOM 0 HZ3 TRP A 32 0.209 -4.198 -2.275 1.00 15.00 H new ATOM 0 HH2 TRP A 32 -1.887 -3.125 -1.558 1.00 15.00 H new ATOM 474 N ASP A 33 0.851 -5.583 -10.263 1.00 15.00 N ATOM 475 CA ASP A 33 1.698 -6.330 -11.179 1.00 15.00 C ATOM 476 C ASP A 33 2.667 -5.406 -11.915 1.00 15.00 C ATOM 477 O ASP A 33 3.475 -5.857 -12.727 1.00 15.00 O ATOM 478 CB ASP A 33 0.842 -7.116 -12.177 1.00 15.00 C ATOM 479 CG ASP A 33 0.398 -6.284 -13.360 1.00 15.00 C ATOM 480 OD1 ASP A 33 0.924 -6.501 -14.469 1.00 15.00 O ATOM 481 OD2 ASP A 33 -0.481 -5.412 -13.191 1.00 15.00 O1- ATOM 0 H ASP A 33 0.002 -5.206 -10.683 1.00 15.00 H new ATOM 0 HA ASP A 33 2.288 -7.035 -10.593 1.00 15.00 H new ATOM 0 HB2 ASP A 33 1.409 -7.975 -12.536 1.00 15.00 H new ATOM 0 HB3 ASP A 33 -0.037 -7.507 -11.664 1.00 15.00 H new ATOM 486 N SER A 34 2.593 -4.112 -11.621 1.00 15.00 N ATOM 487 CA SER A 34 3.482 -3.143 -12.245 1.00 15.00 C ATOM 488 C SER A 34 4.826 -3.179 -11.532 1.00 15.00 C ATOM 489 O SER A 34 4.923 -3.697 -10.418 1.00 15.00 O ATOM 490 CB SER A 34 2.884 -1.731 -12.182 1.00 15.00 C ATOM 491 OG SER A 34 3.673 -0.799 -12.905 1.00 15.00 O ATOM 0 H SER A 34 1.929 -3.713 -10.957 1.00 15.00 H new ATOM 0 HA SER A 34 3.613 -3.401 -13.296 1.00 15.00 H new ATOM 0 HB2 SER A 34 1.872 -1.745 -12.588 1.00 15.00 H new ATOM 0 HB3 SER A 34 2.806 -1.414 -11.142 1.00 15.00 H new ATOM 0 HG SER A 34 4.009 -0.111 -12.293 1.00 15.00 H new ATOM 497 N GLN A 35 5.859 -2.644 -12.163 1.00 15.00 N ATOM 498 CA GLN A 35 7.175 -2.637 -11.554 1.00 15.00 C ATOM 499 C GLN A 35 7.745 -1.225 -11.477 1.00 15.00 C ATOM 500 O GLN A 35 8.944 -1.018 -11.668 1.00 15.00 O ATOM 501 CB GLN A 35 8.126 -3.574 -12.301 1.00 15.00 C ATOM 502 CG GLN A 35 9.160 -4.233 -11.396 1.00 15.00 C ATOM 503 CD GLN A 35 8.553 -4.808 -10.125 1.00 15.00 C ATOM 504 OE1 GLN A 35 8.523 -4.150 -9.083 1.00 15.00 O ATOM 505 NE2 GLN A 35 8.060 -6.036 -10.197 1.00 15.00 N ATOM 0 H GLN A 35 5.811 -2.214 -13.087 1.00 15.00 H new ATOM 0 HA GLN A 35 7.070 -3.005 -10.533 1.00 15.00 H new ATOM 0 HB2 GLN A 35 7.544 -4.349 -12.800 1.00 15.00 H new ATOM 0 HB3 GLN A 35 8.641 -3.012 -13.080 1.00 15.00 H new ATOM 0 HG2 GLN A 35 9.662 -5.029 -11.946 1.00 15.00 H new ATOM 0 HG3 GLN A 35 9.922 -3.501 -11.130 1.00 15.00 H new ATOM 0 HE21 GLN A 35 8.102 -6.552 -11.076 1.00 15.00 H new ATOM 0 HE22 GLN A 35 7.639 -6.466 -9.373 1.00 15.00 H new ATOM 514 N SER A 36 6.879 -0.249 -11.219 1.00 15.00 N ATOM 515 CA SER A 36 7.326 1.123 -11.050 1.00 15.00 C ATOM 516 C SER A 36 8.147 1.133 -9.766 1.00 15.00 C ATOM 517 O SER A 36 7.766 0.455 -8.810 1.00 15.00 O ATOM 518 CB SER A 36 6.119 2.060 -10.943 1.00 15.00 C ATOM 519 OG SER A 36 5.012 1.550 -11.678 1.00 15.00 O ATOM 0 H SER A 36 5.873 -0.384 -11.124 1.00 15.00 H new ATOM 0 HA SER A 36 7.918 1.470 -11.897 1.00 15.00 H new ATOM 0 HB2 SER A 36 5.840 2.182 -9.896 1.00 15.00 H new ATOM 0 HB3 SER A 36 6.386 3.048 -11.319 1.00 15.00 H new ATOM 0 HG SER A 36 4.253 2.164 -11.594 1.00 15.00 H new ATOM 525 N PRO A 37 9.275 1.857 -9.686 1.00 15.00 N ATOM 526 CA PRO A 37 10.082 1.770 -8.477 1.00 15.00 C ATOM 527 C PRO A 37 9.458 2.451 -7.265 1.00 15.00 C ATOM 528 O PRO A 37 9.524 3.670 -7.081 1.00 15.00 O ATOM 529 CB PRO A 37 11.371 2.486 -8.890 1.00 15.00 C ATOM 530 CG PRO A 37 10.974 3.419 -9.987 1.00 15.00 C ATOM 531 CD PRO A 37 9.828 2.761 -10.705 1.00 15.00 C ATOM 0 HA PRO A 37 10.211 0.737 -8.154 1.00 15.00 H new ATOM 0 HB2 PRO A 37 11.805 3.029 -8.050 1.00 15.00 H new ATOM 0 HB3 PRO A 37 12.123 1.775 -9.232 1.00 15.00 H new ATOM 0 HG2 PRO A 37 10.677 4.388 -9.585 1.00 15.00 H new ATOM 0 HG3 PRO A 37 11.807 3.598 -10.666 1.00 15.00 H new ATOM 0 HD2 PRO A 37 9.090 3.490 -11.041 1.00 15.00 H new ATOM 0 HD3 PRO A 37 10.164 2.217 -11.588 1.00 15.00 H new ATOM 539 N HIS A 38 8.839 1.611 -6.458 1.00 15.00 N ATOM 540 CA HIS A 38 8.253 1.979 -5.189 1.00 15.00 C ATOM 541 C HIS A 38 8.866 1.095 -4.121 1.00 15.00 C ATOM 542 O HIS A 38 9.473 0.080 -4.456 1.00 15.00 O ATOM 543 CB HIS A 38 6.729 1.863 -5.224 1.00 15.00 C ATOM 544 CG HIS A 38 6.069 3.155 -5.591 1.00 15.00 C ATOM 545 ND1 HIS A 38 5.260 3.323 -6.690 1.00 15.00 N ATOM 546 CD2 HIS A 38 6.143 4.370 -4.991 1.00 15.00 C ATOM 547 CE1 HIS A 38 4.879 4.607 -6.727 1.00 15.00 C ATOM 548 NE2 HIS A 38 5.390 5.285 -5.717 1.00 15.00 N ATOM 0 H HIS A 38 8.728 0.621 -6.678 1.00 15.00 H new ATOM 0 HA HIS A 38 8.467 3.024 -4.964 1.00 15.00 H new ATOM 0 HB2 HIS A 38 6.442 1.094 -5.941 1.00 15.00 H new ATOM 0 HB3 HIS A 38 6.369 1.538 -4.248 1.00 15.00 H new ATOM 0 HD1 HIS A 38 4.997 2.599 -7.358 1.00 15.00 H new ATOM 0 HD2 HIS A 38 6.699 4.591 -4.092 1.00 15.00 H new ATOM 0 HE1 HIS A 38 4.237 5.032 -7.485 1.00 15.00 H new ATOM 556 N ALA A 39 8.735 1.441 -2.856 1.00 15.00 N ATOM 557 CA ALA A 39 9.257 0.562 -1.825 1.00 15.00 C ATOM 558 C ALA A 39 8.180 -0.465 -1.496 1.00 15.00 C ATOM 559 O ALA A 39 7.135 -0.115 -0.939 1.00 15.00 O ATOM 560 CB ALA A 39 9.650 1.350 -0.586 1.00 15.00 C ATOM 0 H ALA A 39 8.287 2.295 -2.522 1.00 15.00 H new ATOM 0 HA ALA A 39 10.157 0.061 -2.182 1.00 15.00 H new ATOM 0 HB1 ALA A 39 10.038 0.668 0.171 1.00 15.00 H new ATOM 0 HB2 ALA A 39 10.418 2.078 -0.846 1.00 15.00 H new ATOM 0 HB3 ALA A 39 8.776 1.869 -0.193 1.00 15.00 H new ATOM 566 N HIS A 40 8.430 -1.727 -1.833 1.00 15.00 N ATOM 567 CA HIS A 40 7.452 -2.786 -1.589 1.00 15.00 C ATOM 568 C HIS A 40 8.027 -4.173 -1.858 1.00 15.00 C ATOM 569 O HIS A 40 9.183 -4.324 -2.256 1.00 15.00 O ATOM 570 CB HIS A 40 6.197 -2.579 -2.462 1.00 15.00 C ATOM 571 CG HIS A 40 6.462 -2.547 -3.945 1.00 15.00 C ATOM 572 ND1 HIS A 40 6.425 -1.370 -4.654 1.00 15.00 N ATOM 573 CD2 HIS A 40 6.748 -3.565 -4.798 1.00 15.00 C ATOM 574 CE1 HIS A 40 6.691 -1.691 -5.910 1.00 15.00 C ATOM 575 NE2 HIS A 40 6.894 -3.007 -6.042 1.00 15.00 N ATOM 0 H HIS A 40 9.295 -2.041 -2.273 1.00 15.00 H new ATOM 0 HA HIS A 40 7.182 -2.727 -0.535 1.00 15.00 H new ATOM 0 HB2 HIS A 40 5.487 -3.379 -2.250 1.00 15.00 H new ATOM 0 HB3 HIS A 40 5.719 -1.644 -2.172 1.00 15.00 H new ATOM 0 HD2 HIS A 40 6.842 -4.611 -4.545 1.00 15.00 H new ATOM 0 HE1 HIS A 40 6.738 -0.982 -6.724 1.00 15.00 H new ATOM 0 HE2 HIS A 40 7.116 -3.502 -6.906 1.00 15.00 H new ATOM 583 N GLY A 41 7.186 -5.173 -1.636 1.00 15.00 N ATOM 584 CA GLY A 41 7.541 -6.557 -1.876 1.00 15.00 C ATOM 585 C GLY A 41 6.289 -7.373 -2.129 1.00 15.00 C ATOM 586 O GLY A 41 6.253 -8.588 -1.914 1.00 15.00 O ATOM 0 H GLY A 41 6.238 -5.043 -1.284 1.00 15.00 H new ATOM 0 HA2 GLY A 41 8.211 -6.627 -2.733 1.00 15.00 H new ATOM 0 HA3 GLY A 41 8.080 -6.958 -1.017 1.00 15.00 H new ATOM 590 N TYR A 42 5.254 -6.683 -2.594 1.00 15.00 N ATOM 591 CA TYR A 42 3.965 -7.299 -2.860 1.00 15.00 C ATOM 592 C TYR A 42 3.870 -7.812 -4.288 1.00 15.00 C ATOM 593 O TYR A 42 3.873 -7.035 -5.240 1.00 15.00 O ATOM 594 CB TYR A 42 2.834 -6.297 -2.602 1.00 15.00 C ATOM 595 CG TYR A 42 2.617 -5.983 -1.139 1.00 15.00 C ATOM 596 CD1 TYR A 42 3.454 -5.103 -0.467 1.00 15.00 C ATOM 597 CD2 TYR A 42 1.577 -6.568 -0.431 1.00 15.00 C ATOM 598 CE1 TYR A 42 3.262 -4.814 0.869 1.00 15.00 C ATOM 599 CE2 TYR A 42 1.376 -6.284 0.906 1.00 15.00 C ATOM 600 CZ TYR A 42 2.223 -5.407 1.551 1.00 15.00 C ATOM 601 OH TYR A 42 2.031 -5.127 2.885 1.00 15.00 O ATOM 0 H TYR A 42 5.287 -5.684 -2.796 1.00 15.00 H new ATOM 0 HA TYR A 42 3.865 -8.149 -2.185 1.00 15.00 H new ATOM 0 HB2 TYR A 42 3.053 -5.371 -3.134 1.00 15.00 H new ATOM 0 HB3 TYR A 42 1.908 -6.693 -3.020 1.00 15.00 H new ATOM 0 HD1 TYR A 42 4.270 -4.636 -0.999 1.00 15.00 H new ATOM 0 HD2 TYR A 42 0.914 -7.257 -0.933 1.00 15.00 H new ATOM 0 HE1 TYR A 42 3.923 -4.127 1.376 1.00 15.00 H new ATOM 0 HE2 TYR A 42 0.561 -6.746 1.443 1.00 15.00 H new ATOM 0 HH TYR A 42 1.094 -4.883 3.037 1.00 15.00 H new ATOM 611 N ILE A 43 3.798 -9.127 -4.422 1.00 15.00 N ATOM 612 CA ILE A 43 3.674 -9.764 -5.722 1.00 15.00 C ATOM 613 C ILE A 43 2.368 -10.560 -5.759 1.00 15.00 C ATOM 614 O ILE A 43 2.075 -11.300 -4.816 1.00 15.00 O ATOM 615 CB ILE A 43 4.867 -10.710 -6.016 1.00 15.00 C ATOM 616 CG1 ILE A 43 6.199 -10.033 -5.668 1.00 15.00 C ATOM 617 CG2 ILE A 43 4.864 -11.141 -7.476 1.00 15.00 C ATOM 618 CD1 ILE A 43 6.555 -8.862 -6.566 1.00 15.00 C ATOM 0 H ILE A 43 3.824 -9.779 -3.638 1.00 15.00 H new ATOM 0 HA ILE A 43 3.673 -8.987 -6.487 1.00 15.00 H new ATOM 0 HB ILE A 43 4.755 -11.596 -5.390 1.00 15.00 H new ATOM 0 HG12 ILE A 43 6.158 -9.686 -4.636 1.00 15.00 H new ATOM 0 HG13 ILE A 43 6.996 -10.774 -5.724 1.00 15.00 H new ATOM 0 HG21 ILE A 43 5.709 -11.804 -7.661 1.00 15.00 H new ATOM 0 HG22 ILE A 43 3.935 -11.666 -7.698 1.00 15.00 H new ATOM 0 HG23 ILE A 43 4.946 -10.262 -8.115 1.00 15.00 H new ATOM 0 HD11 ILE A 43 7.510 -8.440 -6.253 1.00 15.00 H new ATOM 0 HD12 ILE A 43 6.631 -9.205 -7.598 1.00 15.00 H new ATOM 0 HD13 ILE A 43 5.780 -8.099 -6.493 1.00 15.00 H new ATOM 630 N PRO A 44 1.563 -10.411 -6.829 1.00 15.00 N ATOM 631 CA PRO A 44 0.275 -11.117 -6.976 1.00 15.00 C ATOM 632 C PRO A 44 0.364 -12.620 -6.707 1.00 15.00 C ATOM 633 O PRO A 44 -0.577 -13.220 -6.190 1.00 15.00 O ATOM 634 CB PRO A 44 -0.095 -10.865 -8.438 1.00 15.00 C ATOM 635 CG PRO A 44 0.565 -9.579 -8.787 1.00 15.00 C ATOM 636 CD PRO A 44 1.834 -9.520 -7.979 1.00 15.00 C ATOM 0 HA PRO A 44 -0.457 -10.756 -6.253 1.00 15.00 H new ATOM 0 HB2 PRO A 44 0.255 -11.675 -9.079 1.00 15.00 H new ATOM 0 HB3 PRO A 44 -1.176 -10.801 -8.566 1.00 15.00 H new ATOM 0 HG2 PRO A 44 0.781 -9.531 -9.854 1.00 15.00 H new ATOM 0 HG3 PRO A 44 -0.083 -8.734 -8.555 1.00 15.00 H new ATOM 0 HD2 PRO A 44 2.692 -9.863 -8.557 1.00 15.00 H new ATOM 0 HD3 PRO A 44 2.054 -8.503 -7.654 1.00 15.00 H new ATOM 644 N SER A 45 1.502 -13.218 -7.036 1.00 15.00 N ATOM 645 CA SER A 45 1.709 -14.649 -6.839 1.00 15.00 C ATOM 646 C SER A 45 1.757 -15.012 -5.354 1.00 15.00 C ATOM 647 O SER A 45 1.543 -16.167 -4.979 1.00 15.00 O ATOM 648 CB SER A 45 3.006 -15.073 -7.521 1.00 15.00 C ATOM 649 OG SER A 45 3.581 -13.987 -8.230 1.00 15.00 O ATOM 0 H SER A 45 2.301 -12.732 -7.443 1.00 15.00 H new ATOM 0 HA SER A 45 0.866 -15.179 -7.282 1.00 15.00 H new ATOM 0 HB2 SER A 45 3.711 -15.440 -6.775 1.00 15.00 H new ATOM 0 HB3 SER A 45 2.809 -15.897 -8.207 1.00 15.00 H new ATOM 0 HG SER A 45 4.412 -14.280 -8.658 1.00 15.00 H new ATOM 655 N LYS A 46 2.038 -14.025 -4.514 1.00 15.00 N ATOM 656 CA LYS A 46 2.123 -14.241 -3.077 1.00 15.00 C ATOM 657 C LYS A 46 0.759 -14.071 -2.416 1.00 15.00 C ATOM 658 O LYS A 46 0.529 -14.575 -1.317 1.00 15.00 O ATOM 659 CB LYS A 46 3.130 -13.270 -2.451 1.00 15.00 C ATOM 660 CG LYS A 46 4.569 -13.518 -2.881 1.00 15.00 C ATOM 661 CD LYS A 46 5.460 -12.306 -2.626 1.00 15.00 C ATOM 662 CE LYS A 46 5.513 -11.939 -1.151 1.00 15.00 C ATOM 663 NZ LYS A 46 6.690 -11.082 -0.836 1.00 15.00 N1+ ATOM 0 H LYS A 46 2.212 -13.063 -4.805 1.00 15.00 H new ATOM 0 HA LYS A 46 2.461 -15.264 -2.911 1.00 15.00 H new ATOM 0 HB2 LYS A 46 2.851 -12.250 -2.717 1.00 15.00 H new ATOM 0 HB3 LYS A 46 3.067 -13.345 -1.365 1.00 15.00 H new ATOM 0 HG2 LYS A 46 4.965 -14.379 -2.342 1.00 15.00 H new ATOM 0 HG3 LYS A 46 4.592 -13.768 -3.942 1.00 15.00 H new ATOM 0 HD2 LYS A 46 6.468 -12.515 -2.984 1.00 15.00 H new ATOM 0 HD3 LYS A 46 5.088 -11.456 -3.198 1.00 15.00 H new ATOM 0 HE2 LYS A 46 4.598 -11.416 -0.874 1.00 15.00 H new ATOM 0 HE3 LYS A 46 5.555 -12.848 -0.551 1.00 15.00 H new ATOM 0 HZ1 LYS A 46 6.664 -10.811 0.168 1.00 15.00 H new ATOM 0 HZ2 LYS A 46 7.565 -11.609 -1.029 1.00 15.00 H new ATOM 0 HZ3 LYS A 46 6.664 -10.226 -1.426 1.00 15.00 H new ATOM 677 N PHE A 47 -0.150 -13.376 -3.094 1.00 15.00 N ATOM 678 CA PHE A 47 -1.483 -13.137 -2.549 1.00 15.00 C ATOM 679 C PHE A 47 -2.576 -13.448 -3.579 1.00 15.00 C ATOM 680 O PHE A 47 -3.353 -12.564 -3.953 1.00 15.00 O ATOM 681 CB PHE A 47 -1.617 -11.677 -2.086 1.00 15.00 C ATOM 682 CG PHE A 47 -0.414 -11.150 -1.350 1.00 15.00 C ATOM 683 CD1 PHE A 47 -0.277 -11.343 0.013 1.00 15.00 C ATOM 684 CD2 PHE A 47 0.581 -10.461 -2.026 1.00 15.00 C ATOM 685 CE1 PHE A 47 0.831 -10.862 0.687 1.00 15.00 C ATOM 686 CE2 PHE A 47 1.689 -9.979 -1.358 1.00 15.00 C ATOM 687 CZ PHE A 47 1.815 -10.178 0.000 1.00 15.00 C ATOM 0 H PHE A 47 0.010 -12.971 -4.016 1.00 15.00 H new ATOM 0 HA PHE A 47 -1.613 -13.805 -1.697 1.00 15.00 H new ATOM 0 HB2 PHE A 47 -1.801 -11.047 -2.956 1.00 15.00 H new ATOM 0 HB3 PHE A 47 -2.491 -11.591 -1.440 1.00 15.00 H new ATOM 0 HD1 PHE A 47 -1.044 -11.875 0.557 1.00 15.00 H new ATOM 0 HD2 PHE A 47 0.488 -10.299 -3.090 1.00 15.00 H new ATOM 0 HE1 PHE A 47 0.927 -11.021 1.751 1.00 15.00 H new ATOM 0 HE2 PHE A 47 2.457 -9.446 -1.899 1.00 15.00 H new ATOM 0 HZ PHE A 47 2.680 -9.801 0.525 1.00 15.00 H new ATOM 697 N PRO A 48 -2.673 -14.708 -4.040 1.00 15.00 N ATOM 698 CA PRO A 48 -3.675 -15.107 -5.024 1.00 15.00 C ATOM 699 C PRO A 48 -5.042 -15.318 -4.384 1.00 15.00 C ATOM 700 O PRO A 48 -6.075 -15.246 -5.051 1.00 15.00 O ATOM 701 CB PRO A 48 -3.140 -16.438 -5.579 1.00 15.00 C ATOM 702 CG PRO A 48 -1.839 -16.698 -4.885 1.00 15.00 C ATOM 703 CD PRO A 48 -1.833 -15.846 -3.649 1.00 15.00 C ATOM 0 HA PRO A 48 -3.818 -14.344 -5.789 1.00 15.00 H new ATOM 0 HB2 PRO A 48 -3.847 -17.247 -5.394 1.00 15.00 H new ATOM 0 HB3 PRO A 48 -2.999 -16.379 -6.658 1.00 15.00 H new ATOM 0 HG2 PRO A 48 -1.741 -17.753 -4.629 1.00 15.00 H new ATOM 0 HG3 PRO A 48 -0.998 -16.448 -5.532 1.00 15.00 H new ATOM 0 HD2 PRO A 48 -2.243 -16.376 -2.789 1.00 15.00 H new ATOM 0 HD3 PRO A 48 -0.825 -15.532 -3.378 1.00 15.00 H new ATOM 711 N ASN A 49 -5.034 -15.547 -3.074 1.00 15.00 N ATOM 712 CA ASN A 49 -6.255 -15.784 -2.311 1.00 15.00 C ATOM 713 C ASN A 49 -6.973 -14.474 -2.004 1.00 15.00 C ATOM 714 O ASN A 49 -8.114 -14.474 -1.548 1.00 15.00 O ATOM 715 CB ASN A 49 -5.939 -16.527 -1.001 1.00 15.00 C ATOM 716 CG ASN A 49 -5.062 -15.718 -0.054 1.00 15.00 C ATOM 717 OD1 ASN A 49 -4.209 -14.941 -0.484 1.00 15.00 O ATOM 718 ND2 ASN A 49 -5.258 -15.902 1.243 1.00 15.00 N ATOM 0 H ASN A 49 -4.183 -15.573 -2.513 1.00 15.00 H new ATOM 0 HA ASN A 49 -6.913 -16.404 -2.921 1.00 15.00 H new ATOM 0 HB2 ASN A 49 -6.873 -16.778 -0.498 1.00 15.00 H new ATOM 0 HB3 ASN A 49 -5.440 -17.468 -1.235 1.00 15.00 H new ATOM 0 HD21 ASN A 49 -4.693 -15.392 1.922 1.00 15.00 H new ATOM 0 HD22 ASN A 49 -5.974 -16.554 1.563 1.00 15.00 H new ATOM 725 N LYS A 50 -6.296 -13.360 -2.240 1.00 15.00 N ATOM 726 CA LYS A 50 -6.885 -12.048 -1.991 1.00 15.00 C ATOM 727 C LYS A 50 -7.254 -11.373 -3.305 1.00 15.00 C ATOM 728 O LYS A 50 -7.617 -10.195 -3.333 1.00 15.00 O ATOM 729 CB LYS A 50 -5.924 -11.166 -1.184 1.00 15.00 C ATOM 730 CG LYS A 50 -5.663 -11.676 0.228 1.00 15.00 C ATOM 731 CD LYS A 50 -6.962 -11.907 0.990 1.00 15.00 C ATOM 732 CE LYS A 50 -6.703 -12.367 2.416 1.00 15.00 C ATOM 733 NZ LYS A 50 -7.878 -13.076 2.992 1.00 15.00 N1+ ATOM 0 H LYS A 50 -5.343 -13.335 -2.602 1.00 15.00 H new ATOM 0 HA LYS A 50 -7.794 -12.186 -1.405 1.00 15.00 H new ATOM 0 HB2 LYS A 50 -4.975 -11.096 -1.716 1.00 15.00 H new ATOM 0 HB3 LYS A 50 -6.333 -10.157 -1.127 1.00 15.00 H new ATOM 0 HG2 LYS A 50 -5.098 -12.607 0.181 1.00 15.00 H new ATOM 0 HG3 LYS A 50 -5.047 -10.956 0.767 1.00 15.00 H new ATOM 0 HD2 LYS A 50 -7.544 -10.986 1.005 1.00 15.00 H new ATOM 0 HD3 LYS A 50 -7.561 -12.654 0.470 1.00 15.00 H new ATOM 0 HE2 LYS A 50 -5.836 -13.028 2.433 1.00 15.00 H new ATOM 0 HE3 LYS A 50 -6.459 -11.505 3.037 1.00 15.00 H new ATOM 0 HZ1 LYS A 50 -7.570 -13.979 3.406 1.00 15.00 H new ATOM 0 HZ2 LYS A 50 -8.312 -12.486 3.731 1.00 15.00 H new ATOM 0 HZ3 LYS A 50 -8.575 -13.259 2.242 1.00 15.00 H new ATOM 747 N ASN A 51 -7.173 -12.147 -4.385 1.00 15.00 N ATOM 748 CA ASN A 51 -7.489 -11.669 -5.731 1.00 15.00 C ATOM 749 C ASN A 51 -6.742 -10.378 -6.056 1.00 15.00 C ATOM 750 O ASN A 51 -7.348 -9.331 -6.296 1.00 15.00 O ATOM 751 CB ASN A 51 -9.000 -11.465 -5.903 1.00 15.00 C ATOM 752 CG ASN A 51 -9.405 -11.326 -7.362 1.00 15.00 C ATOM 753 OD1 ASN A 51 -8.756 -11.877 -8.255 1.00 15.00 O ATOM 754 ND2 ASN A 51 -10.483 -10.598 -7.615 1.00 15.00 N ATOM 0 H ASN A 51 -6.886 -13.125 -4.352 1.00 15.00 H new ATOM 0 HA ASN A 51 -7.160 -12.436 -6.432 1.00 15.00 H new ATOM 0 HB2 ASN A 51 -9.530 -12.308 -5.461 1.00 15.00 H new ATOM 0 HB3 ASN A 51 -9.308 -10.573 -5.357 1.00 15.00 H new ATOM 0 HD21 ASN A 51 -10.803 -10.477 -8.576 1.00 15.00 H new ATOM 0 HD22 ASN A 51 -10.993 -10.158 -6.849 1.00 15.00 H new ATOM 761 N LEU A 52 -5.418 -10.454 -6.035 1.00 15.00 N ATOM 762 CA LEU A 52 -4.592 -9.302 -6.350 1.00 15.00 C ATOM 763 C LEU A 52 -4.426 -9.213 -7.861 1.00 15.00 C ATOM 764 O LEU A 52 -3.743 -10.044 -8.464 1.00 15.00 O ATOM 765 CB LEU A 52 -3.224 -9.433 -5.672 1.00 15.00 C ATOM 766 CG LEU A 52 -2.672 -8.152 -5.047 1.00 15.00 C ATOM 767 CD1 LEU A 52 -3.482 -7.757 -3.820 1.00 15.00 C ATOM 768 CD2 LEU A 52 -1.208 -8.330 -4.678 1.00 15.00 C ATOM 0 H LEU A 52 -4.897 -11.300 -5.804 1.00 15.00 H new ATOM 0 HA LEU A 52 -5.071 -8.395 -5.982 1.00 15.00 H new ATOM 0 HB2 LEU A 52 -3.295 -10.194 -4.895 1.00 15.00 H new ATOM 0 HB3 LEU A 52 -2.507 -9.795 -6.408 1.00 15.00 H new ATOM 0 HG LEU A 52 -2.752 -7.352 -5.783 1.00 15.00 H new ATOM 0 HD11 LEU A 52 -3.071 -6.843 -3.392 1.00 15.00 H new ATOM 0 HD12 LEU A 52 -4.520 -7.588 -4.108 1.00 15.00 H new ATOM 0 HD13 LEU A 52 -3.436 -8.557 -3.081 1.00 15.00 H new ATOM 0 HD21 LEU A 52 -0.830 -7.409 -4.234 1.00 15.00 H new ATOM 0 HD22 LEU A 52 -1.110 -9.145 -3.961 1.00 15.00 H new ATOM 0 HD23 LEU A 52 -0.633 -8.564 -5.574 1.00 15.00 H new ATOM 780 N LYS A 53 -5.049 -8.205 -8.464 1.00 15.00 N ATOM 781 CA LYS A 53 -4.992 -8.019 -9.911 1.00 15.00 C ATOM 782 C LYS A 53 -5.076 -6.541 -10.277 1.00 15.00 C ATOM 783 O LYS A 53 -5.744 -5.762 -9.593 1.00 15.00 O ATOM 784 CB LYS A 53 -6.141 -8.773 -10.597 1.00 15.00 C ATOM 785 CG LYS A 53 -5.980 -10.288 -10.609 1.00 15.00 C ATOM 786 CD LYS A 53 -4.920 -10.736 -11.604 1.00 15.00 C ATOM 787 CE LYS A 53 -4.637 -12.226 -11.487 1.00 15.00 C ATOM 788 NZ LYS A 53 -3.791 -12.721 -12.605 1.00 15.00 N1+ ATOM 0 H LYS A 53 -5.601 -7.502 -7.972 1.00 15.00 H new ATOM 0 HA LYS A 53 -4.038 -8.417 -10.256 1.00 15.00 H new ATOM 0 HB2 LYS A 53 -7.075 -8.523 -10.094 1.00 15.00 H new ATOM 0 HB3 LYS A 53 -6.228 -8.421 -11.625 1.00 15.00 H new ATOM 0 HG2 LYS A 53 -5.710 -10.633 -9.611 1.00 15.00 H new ATOM 0 HG3 LYS A 53 -6.933 -10.753 -10.860 1.00 15.00 H new ATOM 0 HD2 LYS A 53 -5.251 -10.506 -12.617 1.00 15.00 H new ATOM 0 HD3 LYS A 53 -4.001 -10.176 -11.434 1.00 15.00 H new ATOM 0 HE2 LYS A 53 -4.139 -12.427 -10.539 1.00 15.00 H new ATOM 0 HE3 LYS A 53 -5.579 -12.774 -11.475 1.00 15.00 H new ATOM 0 HZ1 LYS A 53 -3.622 -13.740 -12.487 1.00 15.00 H new ATOM 0 HZ2 LYS A 53 -4.277 -12.553 -13.509 1.00 15.00 H new ATOM 0 HZ3 LYS A 53 -2.882 -12.217 -12.602 1.00 15.00 H new ATOM 802 N LYS A 54 -4.389 -6.175 -11.358 1.00 15.00 N ATOM 803 CA LYS A 54 -4.369 -4.799 -11.862 1.00 15.00 C ATOM 804 C LYS A 54 -4.037 -3.796 -10.756 1.00 15.00 C ATOM 805 O LYS A 54 -3.158 -4.042 -9.928 1.00 15.00 O ATOM 806 CB LYS A 54 -5.713 -4.450 -12.520 1.00 15.00 C ATOM 807 CG LYS A 54 -6.078 -5.354 -13.691 1.00 15.00 C ATOM 808 CD LYS A 54 -5.058 -5.246 -14.813 1.00 15.00 C ATOM 809 CE LYS A 54 -5.444 -6.104 -16.008 1.00 15.00 C ATOM 810 NZ LYS A 54 -4.357 -6.163 -17.021 1.00 15.00 N1+ ATOM 0 H LYS A 54 -3.829 -6.824 -11.911 1.00 15.00 H new ATOM 0 HA LYS A 54 -3.581 -4.733 -12.612 1.00 15.00 H new ATOM 0 HB2 LYS A 54 -6.501 -4.508 -11.769 1.00 15.00 H new ATOM 0 HB3 LYS A 54 -5.680 -3.417 -12.867 1.00 15.00 H new ATOM 0 HG2 LYS A 54 -6.138 -6.388 -13.350 1.00 15.00 H new ATOM 0 HG3 LYS A 54 -7.065 -5.084 -14.067 1.00 15.00 H new ATOM 0 HD2 LYS A 54 -4.969 -4.206 -15.125 1.00 15.00 H new ATOM 0 HD3 LYS A 54 -4.079 -5.553 -14.446 1.00 15.00 H new ATOM 0 HE2 LYS A 54 -5.680 -7.113 -15.670 1.00 15.00 H new ATOM 0 HE3 LYS A 54 -6.347 -5.702 -16.467 1.00 15.00 H new ATOM 0 HZ1 LYS A 54 -4.659 -6.757 -17.820 1.00 15.00 H new ATOM 0 HZ2 LYS A 54 -4.149 -5.203 -17.363 1.00 15.00 H new ATOM 0 HZ3 LYS A 54 -3.503 -6.570 -16.590 1.00 15.00 H new ATOM 824 N ASN A 55 -4.735 -2.667 -10.758 1.00 15.00 N ATOM 825 CA ASN A 55 -4.523 -1.617 -9.765 1.00 15.00 C ATOM 826 C ASN A 55 -5.775 -1.411 -8.919 1.00 15.00 C ATOM 827 O ASN A 55 -6.186 -0.284 -8.644 1.00 15.00 O ATOM 828 CB ASN A 55 -4.104 -0.305 -10.448 1.00 15.00 C ATOM 829 CG ASN A 55 -5.130 0.231 -11.437 1.00 15.00 C ATOM 830 OD1 ASN A 55 -5.939 -0.515 -11.995 1.00 15.00 O ATOM 831 ND2 ASN A 55 -5.090 1.534 -11.677 1.00 15.00 N ATOM 0 H ASN A 55 -5.460 -2.453 -11.443 1.00 15.00 H new ATOM 0 HA ASN A 55 -3.716 -1.931 -9.103 1.00 15.00 H new ATOM 0 HB2 ASN A 55 -3.923 0.450 -9.683 1.00 15.00 H new ATOM 0 HB3 ASN A 55 -3.160 -0.464 -10.969 1.00 15.00 H new ATOM 0 HD21 ASN A 55 -5.742 1.950 -12.342 1.00 15.00 H new ATOM 0 HD22 ASN A 55 -4.407 2.120 -11.197 1.00 15.00 H new ATOM 838 N TYR A 56 -6.378 -2.517 -8.509 1.00 15.00 N ATOM 839 CA TYR A 56 -7.579 -2.470 -7.690 1.00 15.00 C ATOM 840 C TYR A 56 -7.221 -2.418 -6.211 1.00 15.00 C ATOM 841 O TYR A 56 -6.273 -3.073 -5.771 1.00 15.00 O ATOM 842 CB TYR A 56 -8.462 -3.690 -7.953 1.00 15.00 C ATOM 843 CG TYR A 56 -9.140 -3.688 -9.302 1.00 15.00 C ATOM 844 CD1 TYR A 56 -8.918 -4.715 -10.209 1.00 15.00 C ATOM 845 CD2 TYR A 56 -10.005 -2.664 -9.666 1.00 15.00 C ATOM 846 CE1 TYR A 56 -9.539 -4.723 -11.444 1.00 15.00 C ATOM 847 CE2 TYR A 56 -10.628 -2.663 -10.898 1.00 15.00 C ATOM 848 CZ TYR A 56 -10.393 -3.695 -11.783 1.00 15.00 C ATOM 849 OH TYR A 56 -11.013 -3.696 -13.008 1.00 15.00 O ATOM 0 H TYR A 56 -6.055 -3.459 -8.731 1.00 15.00 H new ATOM 0 HA TYR A 56 -8.127 -1.567 -7.958 1.00 15.00 H new ATOM 0 HB2 TYR A 56 -7.853 -4.590 -7.867 1.00 15.00 H new ATOM 0 HB3 TYR A 56 -9.225 -3.746 -7.176 1.00 15.00 H new ATOM 0 HD1 TYR A 56 -8.249 -5.521 -9.946 1.00 15.00 H new ATOM 0 HD2 TYR A 56 -10.193 -1.856 -8.974 1.00 15.00 H new ATOM 0 HE1 TYR A 56 -9.356 -5.529 -12.139 1.00 15.00 H new ATOM 0 HE2 TYR A 56 -11.296 -1.858 -11.168 1.00 15.00 H new ATOM 0 HH TYR A 56 -11.582 -2.902 -13.087 1.00 15.00 H new ATOM 859 N CYS A 57 -7.976 -1.629 -5.456 1.00 15.00 N ATOM 860 CA CYS A 57 -7.762 -1.506 -4.019 1.00 15.00 C ATOM 861 C CYS A 57 -8.110 -2.827 -3.333 1.00 15.00 C ATOM 862 O CYS A 57 -9.180 -3.397 -3.568 1.00 15.00 O ATOM 863 CB CYS A 57 -8.616 -0.367 -3.451 1.00 15.00 C ATOM 864 SG CYS A 57 -8.101 0.208 -1.818 1.00 15.00 S ATOM 0 H CYS A 57 -8.744 -1.063 -5.816 1.00 15.00 H new ATOM 0 HA CYS A 57 -6.713 -1.275 -3.832 1.00 15.00 H new ATOM 0 HB2 CYS A 57 -8.587 0.473 -4.145 1.00 15.00 H new ATOM 0 HB3 CYS A 57 -9.653 -0.699 -3.396 1.00 15.00 H new ATOM 0 HG CYS A 57 -9.136 0.651 -1.168 1.00 15.00 H new ATOM 870 N ARG A 58 -7.199 -3.316 -2.497 1.00 15.00 N ATOM 871 CA ARG A 58 -7.397 -4.577 -1.787 1.00 15.00 C ATOM 872 C ARG A 58 -6.913 -4.465 -0.344 1.00 15.00 C ATOM 873 O ARG A 58 -6.228 -3.508 0.015 1.00 15.00 O ATOM 874 CB ARG A 58 -6.625 -5.707 -2.482 1.00 15.00 C ATOM 875 CG ARG A 58 -7.093 -6.011 -3.896 1.00 15.00 C ATOM 876 CD ARG A 58 -8.415 -6.753 -3.899 1.00 15.00 C ATOM 877 NE ARG A 58 -9.450 -6.015 -4.623 1.00 15.00 N ATOM 878 CZ ARG A 58 -10.048 -6.453 -5.735 1.00 15.00 C ATOM 879 NH1 ARG A 58 -9.711 -7.629 -6.258 1.00 15.00 N1+ ATOM 880 NH2 ARG A 58 -10.980 -5.713 -6.327 1.00 15.00 N ATOM 0 H ARG A 58 -6.312 -2.856 -2.293 1.00 15.00 H new ATOM 0 HA ARG A 58 -8.464 -4.801 -1.794 1.00 15.00 H new ATOM 0 HB2 ARG A 58 -5.568 -5.444 -2.511 1.00 15.00 H new ATOM 0 HB3 ARG A 58 -6.711 -6.612 -1.881 1.00 15.00 H new ATOM 0 HG2 ARG A 58 -7.196 -5.080 -4.454 1.00 15.00 H new ATOM 0 HG3 ARG A 58 -6.339 -6.608 -4.409 1.00 15.00 H new ATOM 0 HD2 ARG A 58 -8.281 -7.733 -4.356 1.00 15.00 H new ATOM 0 HD3 ARG A 58 -8.740 -6.922 -2.872 1.00 15.00 H new ATOM 0 HE ARG A 58 -9.734 -5.107 -4.255 1.00 15.00 H new ATOM 0 HH11 ARG A 58 -8.994 -8.200 -5.810 1.00 15.00 H new ATOM 0 HH12 ARG A 58 -10.170 -7.960 -7.107 1.00 15.00 H new ATOM 0 HH21 ARG A 58 -11.240 -4.809 -5.933 1.00 15.00 H new ATOM 0 HH22 ARG A 58 -11.435 -6.049 -7.176 1.00 15.00 H new ATOM 894 N ASN A 59 -7.270 -5.443 0.479 1.00 15.00 N ATOM 895 CA ASN A 59 -6.844 -5.465 1.874 1.00 15.00 C ATOM 896 C ASN A 59 -6.200 -6.812 2.195 1.00 15.00 C ATOM 897 O ASN A 59 -6.866 -7.737 2.663 1.00 15.00 O ATOM 898 CB ASN A 59 -8.026 -5.202 2.810 1.00 15.00 C ATOM 899 CG ASN A 59 -7.583 -4.891 4.230 1.00 15.00 C ATOM 900 OD1 ASN A 59 -6.517 -5.325 4.668 1.00 15.00 O ATOM 901 ND2 ASN A 59 -8.398 -4.145 4.960 1.00 15.00 N ATOM 0 H ASN A 59 -7.854 -6.233 0.205 1.00 15.00 H new ATOM 0 HA ASN A 59 -6.111 -4.673 2.027 1.00 15.00 H new ATOM 0 HB2 ASN A 59 -8.613 -4.368 2.425 1.00 15.00 H new ATOM 0 HB3 ASN A 59 -8.680 -6.074 2.819 1.00 15.00 H new ATOM 0 HD21 ASN A 59 -8.151 -3.911 5.922 1.00 15.00 H new ATOM 0 HD22 ASN A 59 -9.273 -3.804 4.561 1.00 15.00 H new ATOM 908 N PRO A 60 -4.892 -6.951 1.931 1.00 15.00 N ATOM 909 CA PRO A 60 -4.167 -8.195 2.172 1.00 15.00 C ATOM 910 C PRO A 60 -3.596 -8.308 3.587 1.00 15.00 C ATOM 911 O PRO A 60 -2.970 -9.313 3.927 1.00 15.00 O ATOM 912 CB PRO A 60 -3.041 -8.117 1.146 1.00 15.00 C ATOM 913 CG PRO A 60 -2.761 -6.658 0.970 1.00 15.00 C ATOM 914 CD PRO A 60 -4.016 -5.911 1.352 1.00 15.00 C ATOM 0 HA PRO A 60 -4.814 -9.068 2.080 1.00 15.00 H new ATOM 0 HB2 PRO A 60 -2.155 -8.647 1.495 1.00 15.00 H new ATOM 0 HB3 PRO A 60 -3.337 -8.576 0.203 1.00 15.00 H new ATOM 0 HG2 PRO A 60 -1.924 -6.349 1.596 1.00 15.00 H new ATOM 0 HG3 PRO A 60 -2.484 -6.442 -0.062 1.00 15.00 H new ATOM 0 HD2 PRO A 60 -3.806 -5.120 2.072 1.00 15.00 H new ATOM 0 HD3 PRO A 60 -4.478 -5.438 0.485 1.00 15.00 H new ATOM 922 N ASP A 61 -3.811 -7.286 4.404 1.00 15.00 N ATOM 923 CA ASP A 61 -3.299 -7.286 5.778 1.00 15.00 C ATOM 924 C ASP A 61 -4.435 -7.472 6.777 1.00 15.00 C ATOM 925 O ASP A 61 -4.203 -7.767 7.948 1.00 15.00 O ATOM 926 CB ASP A 61 -2.543 -5.979 6.074 1.00 15.00 C ATOM 927 CG ASP A 61 -2.050 -5.890 7.514 1.00 15.00 C ATOM 928 OD1 ASP A 61 -2.680 -5.176 8.320 1.00 15.00 O ATOM 929 OD2 ASP A 61 -1.037 -6.540 7.844 1.00 15.00 O1- ATOM 0 H ASP A 61 -4.333 -6.448 4.146 1.00 15.00 H new ATOM 0 HA ASP A 61 -2.606 -8.121 5.880 1.00 15.00 H new ATOM 0 HB2 ASP A 61 -1.692 -5.897 5.398 1.00 15.00 H new ATOM 0 HB3 ASP A 61 -3.197 -5.132 5.867 1.00 15.00 H new ATOM 934 N ARG A 62 -5.670 -7.331 6.297 1.00 15.00 N ATOM 935 CA ARG A 62 -6.858 -7.461 7.140 1.00 15.00 C ATOM 936 C ARG A 62 -6.895 -6.309 8.139 1.00 15.00 C ATOM 937 O ARG A 62 -7.355 -6.457 9.276 1.00 15.00 O ATOM 938 CB ARG A 62 -6.887 -8.813 7.876 1.00 15.00 C ATOM 939 CG ARG A 62 -6.601 -10.008 6.981 1.00 15.00 C ATOM 940 CD ARG A 62 -6.940 -11.321 7.674 1.00 15.00 C ATOM 941 NE ARG A 62 -6.184 -11.516 8.910 1.00 15.00 N ATOM 942 CZ ARG A 62 -6.593 -12.277 9.921 1.00 15.00 C ATOM 943 NH1 ARG A 62 -7.753 -12.924 9.846 1.00 15.00 N1+ ATOM 944 NH2 ARG A 62 -5.837 -12.392 11.006 1.00 15.00 N ATOM 0 H ARG A 62 -5.875 -7.125 5.319 1.00 15.00 H new ATOM 0 HA ARG A 62 -7.741 -7.422 6.501 1.00 15.00 H new ATOM 0 HB2 ARG A 62 -6.154 -8.792 8.683 1.00 15.00 H new ATOM 0 HB3 ARG A 62 -7.866 -8.943 8.338 1.00 15.00 H new ATOM 0 HG2 ARG A 62 -7.180 -9.921 6.061 1.00 15.00 H new ATOM 0 HG3 ARG A 62 -5.549 -10.007 6.697 1.00 15.00 H new ATOM 0 HD2 ARG A 62 -8.007 -11.345 7.897 1.00 15.00 H new ATOM 0 HD3 ARG A 62 -6.738 -12.149 6.994 1.00 15.00 H new ATOM 0 HE ARG A 62 -5.287 -11.039 9.003 1.00 15.00 H new ATOM 0 HH11 ARG A 62 -8.332 -12.837 9.011 1.00 15.00 H new ATOM 0 HH12 ARG A 62 -8.063 -13.507 10.624 1.00 15.00 H new ATOM 0 HH21 ARG A 62 -4.946 -11.898 11.062 1.00 15.00 H new ATOM 0 HH22 ARG A 62 -6.147 -12.975 11.784 1.00 15.00 H new ATOM 958 N ASP A 63 -6.408 -5.157 7.691 1.00 15.00 N ATOM 959 CA ASP A 63 -6.357 -3.955 8.515 1.00 15.00 C ATOM 960 C ASP A 63 -7.711 -3.243 8.533 1.00 15.00 C ATOM 961 O ASP A 63 -8.707 -3.782 8.050 1.00 15.00 O ATOM 962 CB ASP A 63 -5.245 -3.009 8.041 1.00 15.00 C ATOM 963 CG ASP A 63 -5.658 -2.138 6.877 1.00 15.00 C ATOM 964 OD1 ASP A 63 -6.008 -0.961 7.118 1.00 15.00 O ATOM 965 OD2 ASP A 63 -5.629 -2.624 5.735 1.00 15.00 O1- ATOM 0 H ASP A 63 -6.038 -5.030 6.749 1.00 15.00 H new ATOM 0 HA ASP A 63 -6.125 -4.260 9.536 1.00 15.00 H new ATOM 0 HB2 ASP A 63 -4.940 -2.373 8.872 1.00 15.00 H new ATOM 0 HB3 ASP A 63 -4.374 -3.598 7.754 1.00 15.00 H new ATOM 970 N LEU A 64 -7.730 -2.035 9.099 1.00 15.00 N ATOM 971 CA LEU A 64 -8.947 -1.233 9.236 1.00 15.00 C ATOM 972 C LEU A 64 -9.741 -1.117 7.933 1.00 15.00 C ATOM 973 O LEU A 64 -10.956 -1.316 7.937 1.00 15.00 O ATOM 974 CB LEU A 64 -8.589 0.168 9.728 1.00 15.00 C ATOM 975 CG LEU A 64 -8.036 0.239 11.149 1.00 15.00 C ATOM 976 CD1 LEU A 64 -7.230 1.512 11.344 1.00 15.00 C ATOM 977 CD2 LEU A 64 -9.171 0.166 12.160 1.00 15.00 C ATOM 0 H LEU A 64 -6.897 -1.583 9.477 1.00 15.00 H new ATOM 0 HA LEU A 64 -9.580 -1.749 9.958 1.00 15.00 H new ATOM 0 HB2 LEU A 64 -7.853 0.597 9.048 1.00 15.00 H new ATOM 0 HB3 LEU A 64 -9.480 0.794 9.671 1.00 15.00 H new ATOM 0 HG LEU A 64 -7.374 -0.613 11.307 1.00 15.00 H new ATOM 0 HD11 LEU A 64 -6.844 1.546 12.363 1.00 15.00 H new ATOM 0 HD12 LEU A 64 -6.398 1.527 10.640 1.00 15.00 H new ATOM 0 HD13 LEU A 64 -7.869 2.378 11.170 1.00 15.00 H new ATOM 0 HD21 LEU A 64 -8.763 0.218 13.169 1.00 15.00 H new ATOM 0 HD22 LEU A 64 -9.854 1.001 12.001 1.00 15.00 H new ATOM 0 HD23 LEU A 64 -9.710 -0.773 12.034 1.00 15.00 H new ATOM 989 N ARG A 65 -9.074 -0.798 6.828 1.00 15.00 N ATOM 990 CA ARG A 65 -9.766 -0.660 5.548 1.00 15.00 C ATOM 991 C ARG A 65 -8.803 -0.794 4.374 1.00 15.00 C ATOM 992 O ARG A 65 -7.628 -0.466 4.496 1.00 15.00 O ATOM 993 CB ARG A 65 -10.531 0.671 5.470 1.00 15.00 C ATOM 994 CG ARG A 65 -9.740 1.898 5.898 1.00 15.00 C ATOM 995 CD ARG A 65 -10.683 3.010 6.329 1.00 15.00 C ATOM 996 NE ARG A 65 -10.050 4.329 6.343 1.00 15.00 N ATOM 997 CZ ARG A 65 -10.704 5.466 6.078 1.00 15.00 C ATOM 998 NH1 ARG A 65 -12.003 5.431 5.781 1.00 15.00 N1+ ATOM 999 NH2 ARG A 65 -10.061 6.630 6.104 1.00 15.00 N ATOM 0 H ARG A 65 -8.068 -0.632 6.790 1.00 15.00 H new ATOM 0 HA ARG A 65 -10.489 -1.473 5.483 1.00 15.00 H new ATOM 0 HB2 ARG A 65 -10.871 0.817 4.445 1.00 15.00 H new ATOM 0 HB3 ARG A 65 -11.422 0.597 6.094 1.00 15.00 H new ATOM 0 HG2 ARG A 65 -9.072 1.640 6.720 1.00 15.00 H new ATOM 0 HG3 ARG A 65 -9.114 2.241 5.074 1.00 15.00 H new ATOM 0 HD2 ARG A 65 -11.540 3.032 5.656 1.00 15.00 H new ATOM 0 HD3 ARG A 65 -11.066 2.787 7.325 1.00 15.00 H new ATOM 0 HE ARG A 65 -9.056 4.385 6.567 1.00 15.00 H new ATOM 0 HH11 ARG A 65 -12.497 4.539 5.756 1.00 15.00 H new ATOM 0 HH12 ARG A 65 -12.503 6.296 5.579 1.00 15.00 H new ATOM 0 HH21 ARG A 65 -9.066 6.658 6.326 1.00 15.00 H new ATOM 0 HH22 ARG A 65 -10.563 7.495 5.901 1.00 15.00 H new ATOM 1013 N PRO A 66 -9.305 -1.286 3.222 1.00 15.00 N ATOM 1014 CA PRO A 66 -8.500 -1.480 2.009 1.00 15.00 C ATOM 1015 C PRO A 66 -7.639 -0.275 1.646 1.00 15.00 C ATOM 1016 O PRO A 66 -8.064 0.881 1.759 1.00 15.00 O ATOM 1017 CB PRO A 66 -9.552 -1.725 0.929 1.00 15.00 C ATOM 1018 CG PRO A 66 -10.704 -2.325 1.652 1.00 15.00 C ATOM 1019 CD PRO A 66 -10.707 -1.704 3.021 1.00 15.00 C ATOM 0 HA PRO A 66 -7.784 -2.292 2.136 1.00 15.00 H new ATOM 0 HB2 PRO A 66 -9.835 -0.796 0.435 1.00 15.00 H new ATOM 0 HB3 PRO A 66 -9.177 -2.396 0.156 1.00 15.00 H new ATOM 0 HG2 PRO A 66 -11.639 -2.123 1.130 1.00 15.00 H new ATOM 0 HG3 PRO A 66 -10.602 -3.408 1.716 1.00 15.00 H new ATOM 0 HD2 PRO A 66 -11.389 -0.855 3.074 1.00 15.00 H new ATOM 0 HD3 PRO A 66 -11.025 -2.416 3.782 1.00 15.00 H new ATOM 1027 N TRP A 67 -6.431 -0.567 1.192 1.00 15.00 N ATOM 1028 CA TRP A 67 -5.474 0.452 0.807 1.00 15.00 C ATOM 1029 C TRP A 67 -4.779 0.046 -0.483 1.00 15.00 C ATOM 1030 O TRP A 67 -5.008 -1.050 -1.000 1.00 15.00 O ATOM 1031 CB TRP A 67 -4.440 0.650 1.920 1.00 15.00 C ATOM 1032 CG TRP A 67 -3.778 -0.626 2.348 1.00 15.00 C ATOM 1033 CD1 TRP A 67 -4.252 -1.526 3.257 1.00 15.00 C ATOM 1034 CD2 TRP A 67 -2.526 -1.148 1.882 1.00 15.00 C ATOM 1035 NE1 TRP A 67 -3.379 -2.574 3.386 1.00 15.00 N ATOM 1036 CE2 TRP A 67 -2.310 -2.365 2.551 1.00 15.00 C ATOM 1037 CE3 TRP A 67 -1.571 -0.704 0.963 1.00 15.00 C ATOM 1038 CZ2 TRP A 67 -1.179 -3.144 2.331 1.00 15.00 C ATOM 1039 CZ3 TRP A 67 -0.447 -1.477 0.746 1.00 15.00 C ATOM 1040 CH2 TRP A 67 -0.259 -2.685 1.428 1.00 15.00 C ATOM 0 H TRP A 67 -6.088 -1.521 1.081 1.00 15.00 H new ATOM 0 HA TRP A 67 -6.002 1.392 0.646 1.00 15.00 H new ATOM 0 HB2 TRP A 67 -3.678 1.350 1.578 1.00 15.00 H new ATOM 0 HB3 TRP A 67 -4.927 1.106 2.782 1.00 15.00 H new ATOM 0 HD1 TRP A 67 -5.182 -1.427 3.797 1.00 15.00 H new ATOM 0 HE1 TRP A 67 -3.503 -3.378 4.002 1.00 15.00 H new ATOM 0 HE3 TRP A 67 -1.709 0.226 0.432 1.00 15.00 H new ATOM 0 HZ2 TRP A 67 -1.032 -4.077 2.854 1.00 15.00 H new ATOM 0 HZ3 TRP A 67 0.299 -1.144 0.039 1.00 15.00 H new ATOM 0 HH2 TRP A 67 0.631 -3.267 1.237 1.00 15.00 H new ATOM 1051 N CYS A 68 -3.937 0.922 -1.004 1.00 15.00 N ATOM 1052 CA CYS A 68 -3.214 0.636 -2.228 1.00 15.00 C ATOM 1053 C CYS A 68 -2.051 1.601 -2.409 1.00 15.00 C ATOM 1054 O CYS A 68 -2.021 2.672 -1.796 1.00 15.00 O ATOM 1055 CB CYS A 68 -4.158 0.711 -3.429 1.00 15.00 C ATOM 1056 SG CYS A 68 -5.434 1.986 -3.297 1.00 15.00 S ATOM 0 H CYS A 68 -3.738 1.836 -0.598 1.00 15.00 H new ATOM 0 HA CYS A 68 -2.810 -0.374 -2.159 1.00 15.00 H new ATOM 0 HB2 CYS A 68 -3.569 0.895 -4.328 1.00 15.00 H new ATOM 0 HB3 CYS A 68 -4.641 -0.258 -3.557 1.00 15.00 H new ATOM 0 HG CYS A 68 -6.510 1.471 -2.781 1.00 15.00 H new ATOM 1062 N PHE A 69 -1.087 1.210 -3.236 1.00 15.00 N ATOM 1063 CA PHE A 69 0.073 2.047 -3.505 1.00 15.00 C ATOM 1064 C PHE A 69 -0.294 3.119 -4.519 1.00 15.00 C ATOM 1065 O PHE A 69 -1.137 2.897 -5.391 1.00 15.00 O ATOM 1066 CB PHE A 69 1.247 1.208 -4.021 1.00 15.00 C ATOM 1067 CG PHE A 69 1.878 0.335 -2.969 1.00 15.00 C ATOM 1068 CD1 PHE A 69 2.755 0.873 -2.038 1.00 15.00 C ATOM 1069 CD2 PHE A 69 1.596 -1.021 -2.912 1.00 15.00 C ATOM 1070 CE1 PHE A 69 3.338 0.075 -1.071 1.00 15.00 C ATOM 1071 CE2 PHE A 69 2.177 -1.822 -1.947 1.00 15.00 C ATOM 1072 CZ PHE A 69 3.050 -1.275 -1.026 1.00 15.00 C ATOM 0 H PHE A 69 -1.088 0.318 -3.731 1.00 15.00 H new ATOM 0 HA PHE A 69 0.383 2.522 -2.574 1.00 15.00 H new ATOM 0 HB2 PHE A 69 0.900 0.580 -4.841 1.00 15.00 H new ATOM 0 HB3 PHE A 69 2.006 1.875 -4.430 1.00 15.00 H new ATOM 0 HD1 PHE A 69 2.985 1.928 -2.069 1.00 15.00 H new ATOM 0 HD2 PHE A 69 0.915 -1.456 -3.629 1.00 15.00 H new ATOM 0 HE1 PHE A 69 4.018 0.507 -0.352 1.00 15.00 H new ATOM 0 HE2 PHE A 69 1.948 -2.877 -1.913 1.00 15.00 H new ATOM 0 HZ PHE A 69 3.506 -1.901 -0.273 1.00 15.00 H new ATOM 1082 N THR A 70 0.337 4.269 -4.412 1.00 15.00 N ATOM 1083 CA THR A 70 0.057 5.373 -5.310 1.00 15.00 C ATOM 1084 C THR A 70 1.015 5.380 -6.499 1.00 15.00 C ATOM 1085 O THR A 70 1.873 4.508 -6.615 1.00 15.00 O ATOM 1086 CB THR A 70 0.153 6.710 -4.555 1.00 15.00 C ATOM 1087 OG1 THR A 70 0.831 6.514 -3.305 1.00 15.00 O ATOM 1088 CG2 THR A 70 -1.230 7.280 -4.292 1.00 15.00 C ATOM 0 H THR A 70 1.050 4.466 -3.710 1.00 15.00 H new ATOM 0 HA THR A 70 -0.956 5.244 -5.690 1.00 15.00 H new ATOM 0 HB THR A 70 0.712 7.413 -5.172 1.00 15.00 H new ATOM 0 HG1 THR A 70 1.772 6.770 -3.400 1.00 15.00 H new ATOM 0 HG21 THR A 70 -1.138 8.225 -3.757 1.00 15.00 H new ATOM 0 HG22 THR A 70 -1.741 7.448 -5.240 1.00 15.00 H new ATOM 0 HG23 THR A 70 -1.805 6.577 -3.690 1.00 15.00 H new ATOM 1096 N THR A 71 0.846 6.345 -7.396 1.00 15.00 N ATOM 1097 CA THR A 71 1.709 6.453 -8.569 1.00 15.00 C ATOM 1098 C THR A 71 2.590 7.700 -8.474 1.00 15.00 C ATOM 1099 O THR A 71 3.324 8.041 -9.402 1.00 15.00 O ATOM 1100 CB THR A 71 0.879 6.508 -9.868 1.00 15.00 C ATOM 1101 OG1 THR A 71 -0.372 5.836 -9.674 1.00 15.00 O ATOM 1102 CG2 THR A 71 1.630 5.854 -11.019 1.00 15.00 C ATOM 0 H THR A 71 0.123 7.062 -7.335 1.00 15.00 H new ATOM 0 HA THR A 71 2.341 5.565 -8.596 1.00 15.00 H new ATOM 0 HB THR A 71 0.701 7.554 -10.116 1.00 15.00 H new ATOM 0 HG1 THR A 71 -0.896 5.875 -10.501 1.00 15.00 H new ATOM 0 HG21 THR A 71 1.025 5.905 -11.924 1.00 15.00 H new ATOM 0 HG22 THR A 71 2.572 6.377 -11.183 1.00 15.00 H new ATOM 0 HG23 THR A 71 1.832 4.811 -10.776 1.00 15.00 H new ATOM 1110 N ASP A 72 2.517 8.365 -7.334 1.00 15.00 N ATOM 1111 CA ASP A 72 3.289 9.573 -7.098 1.00 15.00 C ATOM 1112 C ASP A 72 4.431 9.267 -6.143 1.00 15.00 C ATOM 1113 O ASP A 72 4.196 8.810 -5.033 1.00 15.00 O ATOM 1114 CB ASP A 72 2.395 10.669 -6.513 1.00 15.00 C ATOM 1115 CG ASP A 72 1.315 11.117 -7.478 1.00 15.00 C ATOM 1116 OD1 ASP A 72 1.536 12.106 -8.209 1.00 15.00 O ATOM 1117 OD2 ASP A 72 0.240 10.484 -7.511 1.00 15.00 O1- ATOM 0 H ASP A 72 1.926 8.086 -6.551 1.00 15.00 H new ATOM 0 HA ASP A 72 3.696 9.927 -8.045 1.00 15.00 H new ATOM 0 HB2 ASP A 72 1.930 10.303 -5.597 1.00 15.00 H new ATOM 0 HB3 ASP A 72 3.010 11.526 -6.238 1.00 15.00 H new ATOM 1122 N PRO A 73 5.686 9.526 -6.556 1.00 15.00 N ATOM 1123 CA PRO A 73 6.876 9.258 -5.727 1.00 15.00 C ATOM 1124 C PRO A 73 6.825 9.919 -4.348 1.00 15.00 C ATOM 1125 O PRO A 73 7.505 9.481 -3.418 1.00 15.00 O ATOM 1126 CB PRO A 73 8.025 9.847 -6.551 1.00 15.00 C ATOM 1127 CG PRO A 73 7.530 9.857 -7.954 1.00 15.00 C ATOM 1128 CD PRO A 73 6.047 10.087 -7.869 1.00 15.00 C ATOM 0 HA PRO A 73 6.972 8.193 -5.515 1.00 15.00 H new ATOM 0 HB2 PRO A 73 8.276 10.853 -6.214 1.00 15.00 H new ATOM 0 HB3 PRO A 73 8.928 9.244 -6.456 1.00 15.00 H new ATOM 0 HG2 PRO A 73 8.014 10.644 -8.533 1.00 15.00 H new ATOM 0 HG3 PRO A 73 7.750 8.913 -8.452 1.00 15.00 H new ATOM 0 HD2 PRO A 73 5.801 11.147 -7.934 1.00 15.00 H new ATOM 0 HD3 PRO A 73 5.516 9.586 -8.679 1.00 15.00 H new ATOM 1136 N ASN A 74 6.011 10.961 -4.217 1.00 15.00 N ATOM 1137 CA ASN A 74 5.880 11.681 -2.954 1.00 15.00 C ATOM 1138 C ASN A 74 4.967 10.940 -1.980 1.00 15.00 C ATOM 1139 O ASN A 74 4.915 11.272 -0.795 1.00 15.00 O ATOM 1140 CB ASN A 74 5.352 13.104 -3.191 1.00 15.00 C ATOM 1141 CG ASN A 74 4.001 13.124 -3.886 1.00 15.00 C ATOM 1142 OD1 ASN A 74 4.007 13.404 -5.180 1.00 15.00 O flip ATOM 1143 ND2 ASN A 74 2.961 12.918 -3.264 1.00 15.00 N flip ATOM 0 H ASN A 74 5.430 11.327 -4.972 1.00 15.00 H new ATOM 0 HA ASN A 74 6.873 11.742 -2.509 1.00 15.00 H new ATOM 0 HB2 ASN A 74 5.271 13.620 -2.234 1.00 15.00 H new ATOM 0 HB3 ASN A 74 6.073 13.658 -3.792 1.00 15.00 H new ATOM 0 HD21 ASN A 74 2.997 12.705 -2.267 1.00 15.00 H new ATOM 0 HD22 ASN A 74 2.062 12.960 -3.745 1.00 15.00 H new ATOM 1150 N LYS A 75 4.258 9.931 -2.469 1.00 15.00 N ATOM 1151 CA LYS A 75 3.356 9.159 -1.628 1.00 15.00 C ATOM 1152 C LYS A 75 3.547 7.668 -1.873 1.00 15.00 C ATOM 1153 O LYS A 75 3.418 7.187 -2.996 1.00 15.00 O ATOM 1154 CB LYS A 75 1.905 9.561 -1.889 1.00 15.00 C ATOM 1155 CG LYS A 75 1.093 9.748 -0.617 1.00 15.00 C ATOM 1156 CD LYS A 75 1.596 10.936 0.189 1.00 15.00 C ATOM 1157 CE LYS A 75 0.946 11.003 1.561 1.00 15.00 C ATOM 1158 NZ LYS A 75 1.278 9.817 2.396 1.00 15.00 N1+ ATOM 0 H LYS A 75 4.291 9.629 -3.443 1.00 15.00 H new ATOM 0 HA LYS A 75 3.590 9.371 -0.585 1.00 15.00 H new ATOM 0 HB2 LYS A 75 1.890 10.489 -2.461 1.00 15.00 H new ATOM 0 HB3 LYS A 75 1.430 8.799 -2.506 1.00 15.00 H new ATOM 0 HG2 LYS A 75 0.043 9.896 -0.871 1.00 15.00 H new ATOM 0 HG3 LYS A 75 1.149 8.844 -0.011 1.00 15.00 H new ATOM 0 HD2 LYS A 75 2.678 10.866 0.302 1.00 15.00 H new ATOM 0 HD3 LYS A 75 1.391 11.858 -0.356 1.00 15.00 H new ATOM 0 HE2 LYS A 75 1.272 11.909 2.072 1.00 15.00 H new ATOM 0 HE3 LYS A 75 -0.136 11.074 1.446 1.00 15.00 H new ATOM 0 HZ1 LYS A 75 0.508 9.121 2.332 1.00 15.00 H new ATOM 0 HZ2 LYS A 75 2.162 9.388 2.054 1.00 15.00 H new ATOM 0 HZ3 LYS A 75 1.397 10.112 3.386 1.00 15.00 H new ATOM 1172 N ARG A 76 3.840 6.938 -0.813 1.00 15.00 N ATOM 1173 CA ARG A 76 4.076 5.505 -0.920 1.00 15.00 C ATOM 1174 C ARG A 76 2.766 4.738 -1.090 1.00 15.00 C ATOM 1175 O ARG A 76 2.547 4.088 -2.113 1.00 15.00 O ATOM 1176 CB ARG A 76 4.834 5.025 0.314 1.00 15.00 C ATOM 1177 CG ARG A 76 5.915 5.999 0.759 1.00 15.00 C ATOM 1178 CD ARG A 76 7.293 5.361 0.749 1.00 15.00 C ATOM 1179 NE ARG A 76 7.515 4.524 1.926 1.00 15.00 N ATOM 1180 CZ ARG A 76 8.712 4.104 2.330 1.00 15.00 C ATOM 1181 NH1 ARG A 76 9.800 4.437 1.654 1.00 15.00 N1+ ATOM 1182 NH2 ARG A 76 8.814 3.341 3.413 1.00 15.00 N ATOM 0 H ARG A 76 3.921 7.311 0.133 1.00 15.00 H new ATOM 0 HA ARG A 76 4.678 5.312 -1.808 1.00 15.00 H new ATOM 0 HB2 ARG A 76 4.129 4.874 1.131 1.00 15.00 H new ATOM 0 HB3 ARG A 76 5.289 4.057 0.102 1.00 15.00 H new ATOM 0 HG2 ARG A 76 5.913 6.868 0.101 1.00 15.00 H new ATOM 0 HG3 ARG A 76 5.689 6.358 1.763 1.00 15.00 H new ATOM 0 HD2 ARG A 76 7.407 4.758 -0.152 1.00 15.00 H new ATOM 0 HD3 ARG A 76 8.054 6.141 0.709 1.00 15.00 H new ATOM 0 HE ARG A 76 6.701 4.244 2.473 1.00 15.00 H new ATOM 0 HH11 ARG A 76 9.724 5.018 0.819 1.00 15.00 H new ATOM 0 HH12 ARG A 76 10.715 4.113 1.968 1.00 15.00 H new ATOM 0 HH21 ARG A 76 7.976 3.078 3.933 1.00 15.00 H new ATOM 0 HH22 ARG A 76 9.730 3.018 3.725 1.00 15.00 H new ATOM 1196 N TRP A 77 1.901 4.811 -0.084 1.00 15.00 N ATOM 1197 CA TRP A 77 0.609 4.140 -0.133 1.00 15.00 C ATOM 1198 C TRP A 77 -0.418 4.960 0.630 1.00 15.00 C ATOM 1199 O TRP A 77 -0.069 5.668 1.577 1.00 15.00 O ATOM 1200 CB TRP A 77 0.690 2.711 0.433 1.00 15.00 C ATOM 1201 CG TRP A 77 0.900 2.630 1.916 1.00 15.00 C ATOM 1202 CD1 TRP A 77 2.093 2.560 2.568 1.00 15.00 C ATOM 1203 CD2 TRP A 77 -0.112 2.589 2.931 1.00 15.00 C ATOM 1204 NE1 TRP A 77 1.888 2.482 3.923 1.00 15.00 N ATOM 1205 CE2 TRP A 77 0.544 2.503 4.170 1.00 15.00 C ATOM 1206 CE3 TRP A 77 -1.509 2.624 2.910 1.00 15.00 C ATOM 1207 CZ2 TRP A 77 -0.146 2.449 5.378 1.00 15.00 C ATOM 1208 CZ3 TRP A 77 -2.193 2.571 4.107 1.00 15.00 C ATOM 1209 CH2 TRP A 77 -1.513 2.484 5.326 1.00 15.00 C ATOM 0 H TRP A 77 2.073 5.330 0.777 1.00 15.00 H new ATOM 0 HA TRP A 77 0.304 4.057 -1.176 1.00 15.00 H new ATOM 0 HB2 TRP A 77 -0.230 2.184 0.182 1.00 15.00 H new ATOM 0 HB3 TRP A 77 1.505 2.185 -0.064 1.00 15.00 H new ATOM 0 HD1 TRP A 77 3.061 2.565 2.089 1.00 15.00 H new ATOM 0 HE1 TRP A 77 2.620 2.419 4.631 1.00 15.00 H new ATOM 0 HE3 TRP A 77 -2.043 2.691 1.974 1.00 15.00 H new ATOM 0 HZ2 TRP A 77 0.378 2.382 6.320 1.00 15.00 H new ATOM 0 HZ3 TRP A 77 -3.273 2.597 4.103 1.00 15.00 H new ATOM 0 HH2 TRP A 77 -2.078 2.444 6.245 1.00 15.00 H new ATOM 1220 N GLU A 78 -1.675 4.868 0.229 1.00 15.00 N ATOM 1221 CA GLU A 78 -2.725 5.626 0.888 1.00 15.00 C ATOM 1222 C GLU A 78 -3.961 4.770 1.145 1.00 15.00 C ATOM 1223 O GLU A 78 -4.130 3.699 0.560 1.00 15.00 O ATOM 1224 CB GLU A 78 -3.095 6.866 0.072 1.00 15.00 C ATOM 1225 CG GLU A 78 -2.254 8.084 0.421 1.00 15.00 C ATOM 1226 CD GLU A 78 -2.195 8.332 1.915 1.00 15.00 C ATOM 1227 OE1 GLU A 78 -1.087 8.569 2.443 1.00 15.00 O ATOM 1228 OE2 GLU A 78 -3.256 8.288 2.570 1.00 15.00 O1- ATOM 0 H GLU A 78 -1.991 4.281 -0.543 1.00 15.00 H new ATOM 0 HA GLU A 78 -2.336 5.947 1.854 1.00 15.00 H new ATOM 0 HB2 GLU A 78 -2.978 6.643 -0.989 1.00 15.00 H new ATOM 0 HB3 GLU A 78 -4.147 7.100 0.235 1.00 15.00 H new ATOM 0 HG2 GLU A 78 -1.243 7.947 0.037 1.00 15.00 H new ATOM 0 HG3 GLU A 78 -2.667 8.962 -0.075 1.00 15.00 H new ATOM 1235 N TYR A 79 -4.813 5.266 2.030 1.00 15.00 N ATOM 1236 CA TYR A 79 -6.041 4.582 2.418 1.00 15.00 C ATOM 1237 C TYR A 79 -7.208 4.943 1.503 1.00 15.00 C ATOM 1238 O TYR A 79 -7.161 5.931 0.768 1.00 15.00 O ATOM 1239 CB TYR A 79 -6.410 4.966 3.852 1.00 15.00 C ATOM 1240 CG TYR A 79 -5.948 3.985 4.901 1.00 15.00 C ATOM 1241 CD1 TYR A 79 -5.192 4.402 5.992 1.00 15.00 C ATOM 1242 CD2 TYR A 79 -6.282 2.642 4.813 1.00 15.00 C ATOM 1243 CE1 TYR A 79 -4.783 3.507 6.961 1.00 15.00 C ATOM 1244 CE2 TYR A 79 -5.874 1.744 5.775 1.00 15.00 C ATOM 1245 CZ TYR A 79 -5.127 2.180 6.847 1.00 15.00 C ATOM 1246 OH TYR A 79 -4.732 1.282 7.813 1.00 15.00 O ATOM 0 H TYR A 79 -4.673 6.159 2.503 1.00 15.00 H new ATOM 0 HA TYR A 79 -5.858 3.511 2.338 1.00 15.00 H new ATOM 0 HB2 TYR A 79 -5.983 5.944 4.074 1.00 15.00 H new ATOM 0 HB3 TYR A 79 -7.493 5.068 3.920 1.00 15.00 H new ATOM 0 HD1 TYR A 79 -4.920 5.443 6.083 1.00 15.00 H new ATOM 0 HD2 TYR A 79 -6.871 2.294 3.977 1.00 15.00 H new ATOM 0 HE1 TYR A 79 -4.197 3.847 7.802 1.00 15.00 H new ATOM 0 HE2 TYR A 79 -6.139 0.701 5.689 1.00 15.00 H new ATOM 0 HH TYR A 79 -5.072 0.390 7.590 1.00 15.00 H new ATOM 1256 N CYS A 80 -8.236 4.113 1.534 1.00 15.00 N ATOM 1257 CA CYS A 80 -9.441 4.351 0.760 1.00 15.00 C ATOM 1258 C CYS A 80 -10.625 4.476 1.723 1.00 15.00 C ATOM 1259 O CYS A 80 -10.720 3.725 2.694 1.00 15.00 O ATOM 1260 CB CYS A 80 -9.673 3.215 -0.239 1.00 15.00 C ATOM 1261 SG CYS A 80 -10.679 3.682 -1.669 1.00 15.00 S ATOM 0 H CYS A 80 -8.259 3.260 2.093 1.00 15.00 H new ATOM 0 HA CYS A 80 -9.335 5.274 0.190 1.00 15.00 H new ATOM 0 HB2 CYS A 80 -8.707 2.852 -0.591 1.00 15.00 H new ATOM 0 HB3 CYS A 80 -10.157 2.385 0.277 1.00 15.00 H new ATOM 0 HG CYS A 80 -9.906 4.107 -2.623 1.00 15.00 H new ATOM 1267 N ASP A 81 -11.505 5.438 1.472 1.00 15.00 N ATOM 1268 CA ASP A 81 -12.660 5.661 2.341 1.00 15.00 C ATOM 1269 C ASP A 81 -13.909 4.997 1.776 1.00 15.00 C ATOM 1270 O ASP A 81 -14.472 5.450 0.777 1.00 15.00 O ATOM 1271 CB ASP A 81 -12.907 7.159 2.527 1.00 15.00 C ATOM 1272 CG ASP A 81 -14.016 7.454 3.518 1.00 15.00 C ATOM 1273 OD1 ASP A 81 -13.857 7.124 4.712 1.00 15.00 O ATOM 1274 OD2 ASP A 81 -15.048 8.031 3.108 1.00 15.00 O1- ATOM 0 H ASP A 81 -11.444 6.075 0.678 1.00 15.00 H new ATOM 0 HA ASP A 81 -12.440 5.212 3.310 1.00 15.00 H new ATOM 0 HB2 ASP A 81 -11.987 7.635 2.866 1.00 15.00 H new ATOM 0 HB3 ASP A 81 -13.159 7.603 1.564 1.00 15.00 H new ATOM 1279 N ILE A 82 -14.327 3.917 2.418 1.00 15.00 N ATOM 1280 CA ILE A 82 -15.504 3.172 1.990 1.00 15.00 C ATOM 1281 C ILE A 82 -16.514 3.075 3.134 1.00 15.00 C ATOM 1282 O ILE A 82 -16.156 2.687 4.247 1.00 15.00 O ATOM 1283 CB ILE A 82 -15.126 1.748 1.516 1.00 15.00 C ATOM 1284 CG1 ILE A 82 -13.914 1.802 0.587 1.00 15.00 C ATOM 1285 CG2 ILE A 82 -16.305 1.089 0.808 1.00 15.00 C ATOM 1286 CD1 ILE A 82 -13.209 0.473 0.445 1.00 15.00 C ATOM 0 H ILE A 82 -13.866 3.534 3.243 1.00 15.00 H new ATOM 0 HA ILE A 82 -15.949 3.709 1.153 1.00 15.00 H new ATOM 0 HB ILE A 82 -14.870 1.150 2.391 1.00 15.00 H new ATOM 0 HG12 ILE A 82 -14.235 2.142 -0.398 1.00 15.00 H new ATOM 0 HG13 ILE A 82 -13.208 2.541 0.965 1.00 15.00 H new ATOM 0 HG21 ILE A 82 -16.021 0.089 0.482 1.00 15.00 H new ATOM 0 HG22 ILE A 82 -17.149 1.021 1.494 1.00 15.00 H new ATOM 0 HG23 ILE A 82 -16.589 1.686 -0.059 1.00 15.00 H new ATOM 0 HD11 ILE A 82 -12.358 0.582 -0.228 1.00 15.00 H new ATOM 0 HD12 ILE A 82 -12.858 0.141 1.422 1.00 15.00 H new ATOM 0 HD13 ILE A 82 -13.901 -0.264 0.038 1.00 15.00 H new ATOM 1298 N PRO A 83 -17.787 3.447 2.878 1.00 15.00 N ATOM 1299 CA PRO A 83 -18.849 3.405 3.891 1.00 15.00 C ATOM 1300 C PRO A 83 -19.083 2.003 4.455 1.00 15.00 C ATOM 1301 O PRO A 83 -19.287 1.041 3.710 1.00 15.00 O ATOM 1302 CB PRO A 83 -20.098 3.891 3.140 1.00 15.00 C ATOM 1303 CG PRO A 83 -19.774 3.751 1.693 1.00 15.00 C ATOM 1304 CD PRO A 83 -18.287 3.943 1.582 1.00 15.00 C ATOM 0 HA PRO A 83 -18.590 4.016 4.756 1.00 15.00 H new ATOM 0 HB2 PRO A 83 -20.972 3.296 3.406 1.00 15.00 H new ATOM 0 HB3 PRO A 83 -20.329 4.926 3.392 1.00 15.00 H new ATOM 0 HG2 PRO A 83 -20.070 2.771 1.320 1.00 15.00 H new ATOM 0 HG3 PRO A 83 -20.309 4.493 1.100 1.00 15.00 H new ATOM 0 HD2 PRO A 83 -17.869 3.380 0.747 1.00 15.00 H new ATOM 0 HD3 PRO A 83 -18.027 4.989 1.423 1.00 15.00 H new ATOM 1312 N ARG A 84 -19.053 1.901 5.774 1.00 15.00 N ATOM 1313 CA ARG A 84 -19.260 0.630 6.460 1.00 15.00 C ATOM 1314 C ARG A 84 -20.654 0.583 7.087 1.00 15.00 C ATOM 1315 O ARG A 84 -21.339 1.605 7.169 1.00 15.00 O ATOM 1316 CB ARG A 84 -18.190 0.407 7.538 1.00 15.00 C ATOM 1317 CG ARG A 84 -18.145 1.497 8.599 1.00 15.00 C ATOM 1318 CD ARG A 84 -17.110 2.559 8.261 1.00 15.00 C ATOM 1319 NE ARG A 84 -17.373 3.819 8.955 1.00 15.00 N ATOM 1320 CZ ARG A 84 -16.457 4.501 9.643 1.00 15.00 C ATOM 1321 NH1 ARG A 84 -15.213 4.049 9.736 1.00 15.00 N1+ ATOM 1322 NH2 ARG A 84 -16.786 5.640 10.234 1.00 15.00 N ATOM 0 H ARG A 84 -18.886 2.690 6.399 1.00 15.00 H new ATOM 0 HA ARG A 84 -19.177 -0.168 5.723 1.00 15.00 H new ATOM 0 HB2 ARG A 84 -18.372 -0.552 8.024 1.00 15.00 H new ATOM 0 HB3 ARG A 84 -17.214 0.341 7.058 1.00 15.00 H new ATOM 0 HG2 ARG A 84 -19.128 1.960 8.689 1.00 15.00 H new ATOM 0 HG3 ARG A 84 -17.912 1.055 9.567 1.00 15.00 H new ATOM 0 HD2 ARG A 84 -16.118 2.197 8.530 1.00 15.00 H new ATOM 0 HD3 ARG A 84 -17.106 2.732 7.185 1.00 15.00 H new ATOM 0 HE ARG A 84 -18.318 4.201 8.910 1.00 15.00 H new ATOM 0 HH11 ARG A 84 -14.953 3.175 9.280 1.00 15.00 H new ATOM 0 HH12 ARG A 84 -14.517 4.576 10.264 1.00 15.00 H new ATOM 0 HH21 ARG A 84 -17.740 5.995 10.163 1.00 15.00 H new ATOM 0 HH22 ARG A 84 -16.086 6.162 10.761 1.00 15.00 H new ATOM 1336 N CYS A 85 -21.067 -0.595 7.529 1.00 15.00 N ATOM 1337 CA CYS A 85 -22.377 -0.764 8.144 1.00 15.00 C ATOM 1338 C CYS A 85 -22.376 -0.230 9.573 1.00 15.00 C ATOM 1339 O CYS A 85 -21.345 -0.246 10.250 1.00 15.00 O ATOM 1340 CB CYS A 85 -22.778 -2.238 8.133 1.00 15.00 C ATOM 1341 SG CYS A 85 -22.566 -3.039 6.526 1.00 15.00 S ATOM 0 H CYS A 85 -20.514 -1.450 7.474 1.00 15.00 H new ATOM 0 HA CYS A 85 -23.104 -0.195 7.565 1.00 15.00 H new ATOM 0 HB2 CYS A 85 -22.185 -2.772 8.876 1.00 15.00 H new ATOM 0 HB3 CYS A 85 -23.821 -2.323 8.436 1.00 15.00 H new ATOM 0 HG CYS A 85 -21.416 -2.702 6.021 1.00 15.00 H new ATOM 1347 N ALA A 86 -23.531 0.243 10.020 1.00 15.00 N ATOM 1348 CA ALA A 86 -23.668 0.787 11.366 1.00 15.00 C ATOM 1349 C ALA A 86 -23.789 -0.320 12.409 1.00 15.00 C ATOM 1350 O ALA A 86 -23.509 -0.102 13.588 1.00 15.00 O ATOM 1351 CB ALA A 86 -24.875 1.709 11.441 1.00 15.00 C ATOM 0 H ALA A 86 -24.389 0.261 9.469 1.00 15.00 H new ATOM 0 HA ALA A 86 -22.766 1.357 11.586 1.00 15.00 H new ATOM 0 HB1 ALA A 86 -24.966 2.108 12.451 1.00 15.00 H new ATOM 0 HB2 ALA A 86 -24.749 2.531 10.736 1.00 15.00 H new ATOM 0 HB3 ALA A 86 -25.776 1.150 11.190 1.00 15.00 H new ATOM 1357 N ALA A 87 -24.205 -1.505 11.976 1.00 15.00 N ATOM 1358 CA ALA A 87 -24.365 -2.629 12.886 1.00 15.00 C ATOM 1359 C ALA A 87 -23.871 -3.921 12.249 1.00 15.00 C ATOM 1360 O ALA A 87 -24.345 -4.264 11.145 1.00 15.00 O ATOM 1361 CB ALA A 87 -25.820 -2.767 13.312 1.00 15.00 C ATOM 1362 OXT ALA A 87 -23.020 -4.598 12.864 1.00 15.00 O1- ATOM 0 H ALA A 87 -24.436 -1.710 11.004 1.00 15.00 H new ATOM 0 HA ALA A 87 -23.760 -2.436 13.772 1.00 15.00 H new ATOM 0 HB1 ALA A 87 -25.921 -3.613 13.992 1.00 15.00 H new ATOM 0 HB2 ALA A 87 -26.139 -1.855 13.816 1.00 15.00 H new ATOM 0 HB3 ALA A 87 -26.442 -2.932 12.433 1.00 15.00 H new TER 1368 ALA A 87 ATOM 1369 N GLY B 101 22.252 2.971 -15.057 1.00 15.00 N ATOM 1370 CA GLY B 101 21.323 2.327 -14.100 1.00 15.00 C ATOM 1371 C GLY B 101 19.977 3.018 -14.073 1.00 15.00 C ATOM 1372 O GLY B 101 19.626 3.732 -15.009 1.00 15.00 O ATOM 0 HA2 GLY B 101 21.189 1.280 -14.372 1.00 15.00 H new ATOM 0 HA3 GLY B 101 21.760 2.343 -13.102 1.00 15.00 H new ATOM 1378 N SER B 102 19.233 2.830 -12.995 1.00 15.00 N ATOM 1379 CA SER B 102 17.916 3.430 -12.860 1.00 15.00 C ATOM 1380 C SER B 102 17.869 4.269 -11.586 1.00 15.00 C ATOM 1381 O SER B 102 18.911 4.552 -10.991 1.00 15.00 O ATOM 1382 CB SER B 102 16.838 2.333 -12.840 1.00 15.00 C ATOM 1383 OG SER B 102 15.533 2.882 -12.945 1.00 15.00 O ATOM 0 H SER B 102 19.521 2.264 -12.197 1.00 15.00 H new ATOM 0 HA SER B 102 17.719 4.080 -13.712 1.00 15.00 H new ATOM 0 HB2 SER B 102 17.009 1.639 -13.663 1.00 15.00 H new ATOM 0 HB3 SER B 102 16.919 1.759 -11.917 1.00 15.00 H new ATOM 0 HG SER B 102 14.872 2.159 -12.931 1.00 15.00 H new ATOM 1389 N VAL B 103 16.677 4.681 -11.178 1.00 15.00 N ATOM 1390 CA VAL B 103 16.519 5.469 -9.966 1.00 15.00 C ATOM 1391 C VAL B 103 16.753 4.585 -8.739 1.00 15.00 C ATOM 1392 O VAL B 103 15.839 3.971 -8.187 1.00 15.00 O ATOM 1393 CB VAL B 103 15.136 6.164 -9.908 1.00 15.00 C ATOM 1394 CG1 VAL B 103 14.002 5.185 -10.174 1.00 15.00 C ATOM 1395 CG2 VAL B 103 14.937 6.872 -8.575 1.00 15.00 C ATOM 0 H VAL B 103 15.806 4.482 -11.669 1.00 15.00 H new ATOM 0 HA VAL B 103 17.266 6.263 -9.973 1.00 15.00 H new ATOM 0 HB VAL B 103 15.116 6.913 -10.700 1.00 15.00 H new ATOM 0 HG11 VAL B 103 13.048 5.711 -10.125 1.00 15.00 H new ATOM 0 HG12 VAL B 103 14.124 4.747 -11.165 1.00 15.00 H new ATOM 0 HG13 VAL B 103 14.020 4.395 -9.423 1.00 15.00 H new ATOM 0 HG21 VAL B 103 13.958 7.352 -8.560 1.00 15.00 H new ATOM 0 HG22 VAL B 103 14.997 6.146 -7.765 1.00 15.00 H new ATOM 0 HG23 VAL B 103 15.713 7.626 -8.444 1.00 15.00 H new ATOM 1405 N GLU B 104 18.009 4.506 -8.341 1.00 15.00 N ATOM 1406 CA GLU B 104 18.415 3.691 -7.213 1.00 15.00 C ATOM 1407 C GLU B 104 18.736 4.558 -5.997 1.00 15.00 C ATOM 1408 O GLU B 104 19.681 4.282 -5.256 1.00 15.00 O ATOM 1409 CB GLU B 104 19.627 2.844 -7.613 1.00 15.00 C ATOM 1410 CG GLU B 104 19.364 1.960 -8.827 1.00 15.00 C ATOM 1411 CD GLU B 104 20.627 1.576 -9.575 1.00 15.00 C ATOM 1412 OE1 GLU B 104 20.989 2.278 -10.544 1.00 15.00 O ATOM 1413 OE2 GLU B 104 21.253 0.559 -9.208 1.00 15.00 O1- ATOM 0 H GLU B 104 18.776 5.005 -8.791 1.00 15.00 H new ATOM 0 HA GLU B 104 17.592 3.033 -6.935 1.00 15.00 H new ATOM 0 HB2 GLU B 104 20.469 3.503 -7.826 1.00 15.00 H new ATOM 0 HB3 GLU B 104 19.919 2.217 -6.771 1.00 15.00 H new ATOM 0 HG2 GLU B 104 18.852 1.054 -8.504 1.00 15.00 H new ATOM 0 HG3 GLU B 104 18.691 2.481 -9.508 1.00 15.00 H new ATOM 1420 N LYS B 105 17.922 5.592 -5.794 1.00 15.00 N ATOM 1421 CA LYS B 105 18.095 6.523 -4.681 1.00 15.00 C ATOM 1422 C LYS B 105 18.039 5.791 -3.342 1.00 15.00 C ATOM 1423 O LYS B 105 18.885 6.001 -2.469 1.00 15.00 O ATOM 1424 CB LYS B 105 17.013 7.609 -4.737 1.00 15.00 C ATOM 1425 CG LYS B 105 17.195 8.719 -3.710 1.00 15.00 C ATOM 1426 CD LYS B 105 16.255 9.890 -3.973 1.00 15.00 C ATOM 1427 CE LYS B 105 16.697 11.146 -3.240 1.00 15.00 C ATOM 1428 NZ LYS B 105 16.004 12.359 -3.753 1.00 15.00 N1+ ATOM 0 H LYS B 105 17.126 5.808 -6.395 1.00 15.00 H new ATOM 0 HA LYS B 105 19.076 6.989 -4.771 1.00 15.00 H new ATOM 0 HB2 LYS B 105 17.005 8.049 -5.734 1.00 15.00 H new ATOM 0 HB3 LYS B 105 16.039 7.145 -4.586 1.00 15.00 H new ATOM 0 HG2 LYS B 105 17.013 8.324 -2.711 1.00 15.00 H new ATOM 0 HG3 LYS B 105 18.227 9.069 -3.731 1.00 15.00 H new ATOM 0 HD2 LYS B 105 16.214 10.090 -5.044 1.00 15.00 H new ATOM 0 HD3 LYS B 105 15.246 9.623 -3.660 1.00 15.00 H new ATOM 0 HE2 LYS B 105 16.495 11.035 -2.175 1.00 15.00 H new ATOM 0 HE3 LYS B 105 17.774 11.270 -3.349 1.00 15.00 H new ATOM 0 HZ1 LYS B 105 16.679 12.946 -4.284 1.00 15.00 H new ATOM 0 HZ2 LYS B 105 15.225 12.074 -4.380 1.00 15.00 H new ATOM 0 HZ3 LYS B 105 15.624 12.905 -2.954 1.00 15.00 H new ATOM 1442 N LEU B 106 17.058 4.910 -3.195 1.00 15.00 N ATOM 1443 CA LEU B 106 16.899 4.148 -1.963 1.00 15.00 C ATOM 1444 C LEU B 106 17.797 2.919 -1.987 1.00 15.00 C ATOM 1445 O LEU B 106 17.320 1.788 -1.958 1.00 15.00 O ATOM 1446 CB LEU B 106 15.438 3.723 -1.757 1.00 15.00 C ATOM 1447 CG LEU B 106 14.445 4.850 -1.430 1.00 15.00 C ATOM 1448 CD1 LEU B 106 15.079 5.893 -0.519 1.00 15.00 C ATOM 1449 CD2 LEU B 106 13.919 5.496 -2.706 1.00 15.00 C ATOM 0 H LEU B 106 16.362 4.706 -3.912 1.00 15.00 H new ATOM 0 HA LEU B 106 17.188 4.790 -1.131 1.00 15.00 H new ATOM 0 HB2 LEU B 106 15.097 3.217 -2.660 1.00 15.00 H new ATOM 0 HB3 LEU B 106 15.404 2.991 -0.950 1.00 15.00 H new ATOM 0 HG LEU B 106 13.602 4.408 -0.899 1.00 15.00 H new ATOM 0 HD11 LEU B 106 14.354 6.678 -0.305 1.00 15.00 H new ATOM 0 HD12 LEU B 106 15.390 5.421 0.413 1.00 15.00 H new ATOM 0 HD13 LEU B 106 15.948 6.327 -1.013 1.00 15.00 H new ATOM 0 HD21 LEU B 106 13.218 6.290 -2.449 1.00 15.00 H new ATOM 0 HD22 LEU B 106 14.751 5.915 -3.272 1.00 15.00 H new ATOM 0 HD23 LEU B 106 13.411 4.745 -3.311 1.00 15.00 H new ATOM 1461 N THR B 107 19.099 3.152 -2.047 1.00 15.00 N ATOM 1462 CA THR B 107 20.076 2.077 -2.096 1.00 15.00 C ATOM 1463 C THR B 107 20.097 1.267 -0.798 1.00 15.00 C ATOM 1464 O THR B 107 19.849 0.061 -0.805 1.00 15.00 O ATOM 1465 CB THR B 107 21.485 2.636 -2.375 1.00 15.00 C ATOM 1466 OG1 THR B 107 21.383 3.876 -3.093 1.00 15.00 O ATOM 1467 CG2 THR B 107 22.311 1.645 -3.181 1.00 15.00 C ATOM 0 H THR B 107 19.506 4.087 -2.063 1.00 15.00 H new ATOM 0 HA THR B 107 19.780 1.413 -2.908 1.00 15.00 H new ATOM 0 HB THR B 107 21.983 2.806 -1.420 1.00 15.00 H new ATOM 0 HG1 THR B 107 20.724 3.784 -3.812 1.00 15.00 H new ATOM 0 HG21 THR B 107 23.301 2.062 -3.365 1.00 15.00 H new ATOM 0 HG22 THR B 107 22.408 0.713 -2.623 1.00 15.00 H new ATOM 0 HG23 THR B 107 21.817 1.449 -4.133 1.00 15.00 H new ATOM 1475 N ALA B 108 20.368 1.938 0.312 1.00 15.00 N ATOM 1476 CA ALA B 108 20.438 1.279 1.609 1.00 15.00 C ATOM 1477 C ALA B 108 19.054 1.069 2.215 1.00 15.00 C ATOM 1478 O ALA B 108 18.801 0.052 2.869 1.00 15.00 O ATOM 1479 CB ALA B 108 21.307 2.093 2.556 1.00 15.00 C ATOM 0 H ALA B 108 20.544 2.942 0.341 1.00 15.00 H new ATOM 0 HA ALA B 108 20.883 0.295 1.459 1.00 15.00 H new ATOM 0 HB1 ALA B 108 21.355 1.595 3.524 1.00 15.00 H new ATOM 0 HB2 ALA B 108 22.312 2.181 2.143 1.00 15.00 H new ATOM 0 HB3 ALA B 108 20.877 3.087 2.680 1.00 15.00 H new ATOM 1485 N ASP B 109 18.159 2.023 1.976 1.00 15.00 N ATOM 1486 CA ASP B 109 16.798 1.966 2.514 1.00 15.00 C ATOM 1487 C ASP B 109 16.041 0.744 2.007 1.00 15.00 C ATOM 1488 O ASP B 109 15.458 -0.005 2.795 1.00 15.00 O ATOM 1489 CB ASP B 109 16.026 3.237 2.159 1.00 15.00 C ATOM 1490 CG ASP B 109 15.816 4.143 3.356 1.00 15.00 C ATOM 1491 OD1 ASP B 109 15.842 5.379 3.185 1.00 15.00 O ATOM 1492 OD2 ASP B 109 15.621 3.626 4.476 1.00 15.00 O1- ATOM 0 H ASP B 109 18.351 2.850 1.411 1.00 15.00 H new ATOM 0 HA ASP B 109 16.882 1.886 3.598 1.00 15.00 H new ATOM 0 HB2 ASP B 109 16.567 3.782 1.385 1.00 15.00 H new ATOM 0 HB3 ASP B 109 15.058 2.965 1.739 1.00 15.00 H new ATOM 1497 N ALA B 110 16.058 0.532 0.696 1.00 15.00 N ATOM 1498 CA ALA B 110 15.359 -0.605 0.106 1.00 15.00 C ATOM 1499 C ALA B 110 16.119 -1.903 0.353 1.00 15.00 C ATOM 1500 O ALA B 110 15.526 -2.981 0.393 1.00 15.00 O ATOM 1501 CB ALA B 110 15.143 -0.388 -1.382 1.00 15.00 C ATOM 0 H ALA B 110 16.544 1.127 0.025 1.00 15.00 H new ATOM 0 HA ALA B 110 14.385 -0.687 0.588 1.00 15.00 H new ATOM 0 HB1 ALA B 110 14.620 -1.247 -1.803 1.00 15.00 H new ATOM 0 HB2 ALA B 110 14.546 0.511 -1.536 1.00 15.00 H new ATOM 0 HB3 ALA B 110 16.107 -0.272 -1.877 1.00 15.00 H new ATOM 1507 N GLU B 111 17.431 -1.785 0.535 1.00 15.00 N ATOM 1508 CA GLU B 111 18.287 -2.941 0.787 1.00 15.00 C ATOM 1509 C GLU B 111 17.806 -3.711 2.016 1.00 15.00 C ATOM 1510 O GLU B 111 17.612 -4.928 1.965 1.00 15.00 O ATOM 1511 CB GLU B 111 19.732 -2.478 0.988 1.00 15.00 C ATOM 1512 CG GLU B 111 20.749 -3.604 1.020 1.00 15.00 C ATOM 1513 CD GLU B 111 22.150 -3.095 1.278 1.00 15.00 C ATOM 1514 OE1 GLU B 111 22.969 -3.080 0.333 1.00 15.00 O ATOM 1515 OE2 GLU B 111 22.437 -2.702 2.430 1.00 15.00 O1- ATOM 0 H GLU B 111 17.928 -0.894 0.512 1.00 15.00 H new ATOM 0 HA GLU B 111 18.238 -3.607 -0.074 1.00 15.00 H new ATOM 0 HB2 GLU B 111 19.995 -1.789 0.186 1.00 15.00 H new ATOM 0 HB3 GLU B 111 19.796 -1.920 1.922 1.00 15.00 H new ATOM 0 HG2 GLU B 111 20.474 -4.319 1.796 1.00 15.00 H new ATOM 0 HG3 GLU B 111 20.727 -4.140 0.071 1.00 15.00 H new ATOM 1522 N LEU B 112 17.593 -2.984 3.107 1.00 15.00 N ATOM 1523 CA LEU B 112 17.129 -3.583 4.352 1.00 15.00 C ATOM 1524 C LEU B 112 15.693 -4.080 4.207 1.00 15.00 C ATOM 1525 O LEU B 112 15.345 -5.154 4.701 1.00 15.00 O ATOM 1526 CB LEU B 112 17.211 -2.568 5.495 1.00 15.00 C ATOM 1527 CG LEU B 112 18.602 -1.985 5.752 1.00 15.00 C ATOM 1528 CD1 LEU B 112 18.513 -0.778 6.675 1.00 15.00 C ATOM 1529 CD2 LEU B 112 19.523 -3.044 6.346 1.00 15.00 C ATOM 0 H LEU B 112 17.735 -1.975 3.154 1.00 15.00 H new ATOM 0 HA LEU B 112 17.774 -4.431 4.582 1.00 15.00 H new ATOM 0 HB2 LEU B 112 16.525 -1.748 5.281 1.00 15.00 H new ATOM 0 HB3 LEU B 112 16.861 -3.046 6.410 1.00 15.00 H new ATOM 0 HG LEU B 112 19.020 -1.660 4.799 1.00 15.00 H new ATOM 0 HD11 LEU B 112 19.512 -0.377 6.847 1.00 15.00 H new ATOM 0 HD12 LEU B 112 17.889 -0.013 6.214 1.00 15.00 H new ATOM 0 HD13 LEU B 112 18.075 -1.079 7.626 1.00 15.00 H new ATOM 0 HD21 LEU B 112 20.508 -2.612 6.522 1.00 15.00 H new ATOM 0 HD22 LEU B 112 19.108 -3.399 7.289 1.00 15.00 H new ATOM 0 HD23 LEU B 112 19.612 -3.879 5.652 1.00 15.00 H new ATOM 1541 N GLN B 113 14.872 -3.303 3.503 1.00 15.00 N ATOM 1542 CA GLN B 113 13.470 -3.654 3.297 1.00 15.00 C ATOM 1543 C GLN B 113 13.337 -4.966 2.526 1.00 15.00 C ATOM 1544 O GLN B 113 12.620 -5.870 2.957 1.00 15.00 O ATOM 1545 CB GLN B 113 12.731 -2.538 2.554 1.00 15.00 C ATOM 1546 CG GLN B 113 11.238 -2.798 2.394 1.00 15.00 C ATOM 1547 CD GLN B 113 10.513 -2.904 3.724 1.00 15.00 C ATOM 1548 OE1 GLN B 113 10.006 -1.914 4.249 1.00 15.00 O ATOM 1549 NE2 GLN B 113 10.464 -4.104 4.282 1.00 15.00 N ATOM 0 H GLN B 113 15.155 -2.426 3.066 1.00 15.00 H new ATOM 0 HA GLN B 113 13.018 -3.782 4.280 1.00 15.00 H new ATOM 0 HB2 GLN B 113 12.873 -1.600 3.090 1.00 15.00 H new ATOM 0 HB3 GLN B 113 13.177 -2.412 1.568 1.00 15.00 H new ATOM 0 HG2 GLN B 113 10.795 -1.994 1.807 1.00 15.00 H new ATOM 0 HG3 GLN B 113 11.093 -3.720 1.832 1.00 15.00 H new ATOM 0 HE21 GLN B 113 10.897 -4.901 3.816 1.00 15.00 H new ATOM 0 HE22 GLN B 113 9.994 -4.231 5.178 1.00 15.00 H new ATOM 1558 N ARG B 114 14.028 -5.067 1.394 1.00 15.00 N ATOM 1559 CA ARG B 114 13.979 -6.275 0.576 1.00 15.00 C ATOM 1560 C ARG B 114 14.535 -7.468 1.345 1.00 15.00 C ATOM 1561 O ARG B 114 13.959 -8.556 1.313 1.00 15.00 O ATOM 1562 CB ARG B 114 14.759 -6.085 -0.728 1.00 15.00 C ATOM 1563 CG ARG B 114 14.777 -7.327 -1.608 1.00 15.00 C ATOM 1564 CD ARG B 114 15.474 -7.068 -2.933 1.00 15.00 C ATOM 1565 NE ARG B 114 14.605 -6.388 -3.895 1.00 15.00 N ATOM 1566 CZ ARG B 114 14.948 -6.122 -5.156 1.00 15.00 C ATOM 1567 NH1 ARG B 114 16.146 -6.477 -5.616 1.00 15.00 N1+ ATOM 1568 NH2 ARG B 114 14.091 -5.511 -5.962 1.00 15.00 N ATOM 0 H ARG B 114 14.627 -4.329 1.023 1.00 15.00 H new ATOM 0 HA ARG B 114 12.935 -6.469 0.331 1.00 15.00 H new ATOM 0 HB2 ARG B 114 14.321 -5.259 -1.288 1.00 15.00 H new ATOM 0 HB3 ARG B 114 15.785 -5.802 -0.491 1.00 15.00 H new ATOM 0 HG2 ARG B 114 15.283 -8.137 -1.083 1.00 15.00 H new ATOM 0 HG3 ARG B 114 13.755 -7.656 -1.793 1.00 15.00 H new ATOM 0 HD2 ARG B 114 16.364 -6.463 -2.760 1.00 15.00 H new ATOM 0 HD3 ARG B 114 15.809 -8.015 -3.356 1.00 15.00 H new ATOM 0 HE ARG B 114 13.678 -6.099 -3.581 1.00 15.00 H new ATOM 0 HH11 ARG B 114 16.807 -6.955 -5.003 1.00 15.00 H new ATOM 0 HH12 ARG B 114 16.403 -6.271 -6.581 1.00 15.00 H new ATOM 0 HH21 ARG B 114 13.169 -5.244 -5.618 1.00 15.00 H new ATOM 0 HH22 ARG B 114 14.354 -5.308 -6.926 1.00 15.00 H new ATOM 1582 N LEU B 115 15.645 -7.248 2.048 1.00 15.00 N ATOM 1583 CA LEU B 115 16.281 -8.297 2.837 1.00 15.00 C ATOM 1584 C LEU B 115 15.293 -8.871 3.850 1.00 15.00 C ATOM 1585 O LEU B 115 15.093 -10.088 3.920 1.00 15.00 O ATOM 1586 CB LEU B 115 17.509 -7.739 3.563 1.00 15.00 C ATOM 1587 CG LEU B 115 18.271 -8.739 4.432 1.00 15.00 C ATOM 1588 CD1 LEU B 115 19.184 -9.607 3.579 1.00 15.00 C ATOM 1589 CD2 LEU B 115 19.073 -8.005 5.493 1.00 15.00 C ATOM 0 H LEU B 115 16.123 -6.348 2.086 1.00 15.00 H new ATOM 0 HA LEU B 115 16.598 -9.094 2.165 1.00 15.00 H new ATOM 0 HB2 LEU B 115 18.195 -7.333 2.820 1.00 15.00 H new ATOM 0 HB3 LEU B 115 17.191 -6.907 4.191 1.00 15.00 H new ATOM 0 HG LEU B 115 17.549 -9.389 4.926 1.00 15.00 H new ATOM 0 HD11 LEU B 115 19.717 -10.312 4.217 1.00 15.00 H new ATOM 0 HD12 LEU B 115 18.587 -10.157 2.851 1.00 15.00 H new ATOM 0 HD13 LEU B 115 19.903 -8.976 3.057 1.00 15.00 H new ATOM 0 HD21 LEU B 115 19.612 -8.727 6.106 1.00 15.00 H new ATOM 0 HD22 LEU B 115 19.785 -7.335 5.012 1.00 15.00 H new ATOM 0 HD23 LEU B 115 18.398 -7.426 6.123 1.00 15.00 H new ATOM 1601 N LYS B 116 14.659 -7.982 4.607 1.00 15.00 N ATOM 1602 CA LYS B 116 13.688 -8.382 5.615 1.00 15.00 C ATOM 1603 C LYS B 116 12.459 -9.019 4.967 1.00 15.00 C ATOM 1604 O LYS B 116 11.956 -10.032 5.444 1.00 15.00 O ATOM 1605 CB LYS B 116 13.271 -7.170 6.448 1.00 15.00 C ATOM 1606 CG LYS B 116 12.480 -7.529 7.693 1.00 15.00 C ATOM 1607 CD LYS B 116 12.230 -6.306 8.555 1.00 15.00 C ATOM 1608 CE LYS B 116 11.823 -6.689 9.966 1.00 15.00 C ATOM 1609 NZ LYS B 116 11.553 -5.496 10.805 1.00 15.00 N1+ ATOM 0 H LYS B 116 14.802 -6.974 4.540 1.00 15.00 H new ATOM 0 HA LYS B 116 14.154 -9.122 6.265 1.00 15.00 H new ATOM 0 HB2 LYS B 116 14.164 -6.618 6.742 1.00 15.00 H new ATOM 0 HB3 LYS B 116 12.673 -6.502 5.828 1.00 15.00 H new ATOM 0 HG2 LYS B 116 11.528 -7.976 7.406 1.00 15.00 H new ATOM 0 HG3 LYS B 116 13.023 -8.278 8.269 1.00 15.00 H new ATOM 0 HD2 LYS B 116 13.132 -5.694 8.589 1.00 15.00 H new ATOM 0 HD3 LYS B 116 11.448 -5.696 8.103 1.00 15.00 H new ATOM 0 HE2 LYS B 116 10.933 -7.317 9.930 1.00 15.00 H new ATOM 0 HE3 LYS B 116 12.614 -7.284 10.424 1.00 15.00 H new ATOM 0 HZ1 LYS B 116 10.998 -5.776 11.639 1.00 15.00 H new ATOM 0 HZ2 LYS B 116 12.454 -5.078 11.114 1.00 15.00 H new ATOM 0 HZ3 LYS B 116 11.018 -4.797 10.252 1.00 15.00 H new ATOM 1623 N ASN B 117 11.989 -8.425 3.872 1.00 15.00 N ATOM 1624 CA ASN B 117 10.817 -8.929 3.161 1.00 15.00 C ATOM 1625 C ASN B 117 11.048 -10.352 2.661 1.00 15.00 C ATOM 1626 O ASN B 117 10.151 -11.194 2.733 1.00 15.00 O ATOM 1627 CB ASN B 117 10.458 -8.002 1.990 1.00 15.00 C ATOM 1628 CG ASN B 117 9.583 -8.669 0.937 1.00 15.00 C ATOM 1629 OD1 ASN B 117 8.362 -8.768 1.087 1.00 15.00 O ATOM 1630 ND2 ASN B 117 10.204 -9.118 -0.146 1.00 15.00 N ATOM 0 H ASN B 117 12.404 -7.591 3.457 1.00 15.00 H new ATOM 0 HA ASN B 117 9.982 -8.948 3.861 1.00 15.00 H new ATOM 0 HB2 ASN B 117 9.942 -7.123 2.377 1.00 15.00 H new ATOM 0 HB3 ASN B 117 11.376 -7.651 1.519 1.00 15.00 H new ATOM 0 HD21 ASN B 117 9.670 -9.564 -0.892 1.00 15.00 H new ATOM 0 HD22 ASN B 117 11.215 -9.017 -0.233 1.00 15.00 H new ATOM 1637 N GLU B 118 12.255 -10.624 2.173 1.00 15.00 N ATOM 1638 CA GLU B 118 12.591 -11.947 1.661 1.00 15.00 C ATOM 1639 C GLU B 118 12.605 -12.975 2.790 1.00 15.00 C ATOM 1640 O GLU B 118 12.138 -14.099 2.619 1.00 15.00 O ATOM 1641 CB GLU B 118 13.945 -11.924 0.949 1.00 15.00 C ATOM 1642 CG GLU B 118 14.210 -13.167 0.117 1.00 15.00 C ATOM 1643 CD GLU B 118 15.460 -13.048 -0.727 1.00 15.00 C ATOM 1644 OE1 GLU B 118 16.533 -13.498 -0.275 1.00 15.00 O ATOM 1645 OE2 GLU B 118 15.375 -12.505 -1.850 1.00 15.00 O1- ATOM 0 H GLU B 118 13.015 -9.946 2.122 1.00 15.00 H new ATOM 0 HA GLU B 118 11.826 -12.234 0.940 1.00 15.00 H new ATOM 0 HB2 GLU B 118 13.993 -11.047 0.304 1.00 15.00 H new ATOM 0 HB3 GLU B 118 14.736 -11.817 1.691 1.00 15.00 H new ATOM 0 HG2 GLU B 118 14.303 -14.029 0.778 1.00 15.00 H new ATOM 0 HG3 GLU B 118 13.355 -13.354 -0.532 1.00 15.00 H new ATOM 1652 N ALA B 119 13.131 -12.586 3.945 1.00 15.00 N ATOM 1653 CA ALA B 119 13.188 -13.484 5.097 1.00 15.00 C ATOM 1654 C ALA B 119 11.798 -13.684 5.691 1.00 15.00 C ATOM 1655 O ALA B 119 11.437 -14.785 6.115 1.00 15.00 O ATOM 1656 CB ALA B 119 14.139 -12.940 6.154 1.00 15.00 C ATOM 0 H ALA B 119 13.523 -11.659 4.111 1.00 15.00 H new ATOM 0 HA ALA B 119 13.562 -14.450 4.757 1.00 15.00 H new ATOM 0 HB1 ALA B 119 14.168 -13.622 7.003 1.00 15.00 H new ATOM 0 HB2 ALA B 119 15.139 -12.846 5.730 1.00 15.00 H new ATOM 0 HB3 ALA B 119 13.792 -11.961 6.486 1.00 15.00 H new ATOM 1662 N ALA B 120 11.018 -12.610 5.703 1.00 15.00 N ATOM 1663 CA ALA B 120 9.664 -12.642 6.240 1.00 15.00 C ATOM 1664 C ALA B 120 8.714 -13.370 5.299 1.00 15.00 C ATOM 1665 O ALA B 120 7.650 -13.823 5.708 1.00 15.00 O ATOM 1666 CB ALA B 120 9.167 -11.227 6.506 1.00 15.00 C ATOM 0 H ALA B 120 11.304 -11.699 5.344 1.00 15.00 H new ATOM 0 HA ALA B 120 9.688 -13.190 7.182 1.00 15.00 H new ATOM 0 HB1 ALA B 120 8.154 -11.266 6.907 1.00 15.00 H new ATOM 0 HB2 ALA B 120 9.824 -10.740 7.227 1.00 15.00 H new ATOM 0 HB3 ALA B 120 9.167 -10.660 5.575 1.00 15.00 H new ATOM 1672 N GLU B 121 9.118 -13.499 4.041 1.00 15.00 N ATOM 1673 CA GLU B 121 8.306 -14.164 3.025 1.00 15.00 C ATOM 1674 C GLU B 121 7.983 -15.611 3.412 1.00 15.00 C ATOM 1675 O GLU B 121 7.075 -16.223 2.847 1.00 15.00 O ATOM 1676 CB GLU B 121 9.018 -14.120 1.669 1.00 15.00 C ATOM 1677 CG GLU B 121 8.080 -14.263 0.481 1.00 15.00 C ATOM 1678 CD GLU B 121 8.755 -13.942 -0.835 1.00 15.00 C ATOM 1679 OE1 GLU B 121 8.654 -12.785 -1.289 1.00 15.00 O ATOM 1680 OE2 GLU B 121 9.385 -14.847 -1.420 1.00 15.00 O1- ATOM 0 H GLU B 121 10.012 -13.149 3.696 1.00 15.00 H new ATOM 0 HA GLU B 121 7.361 -13.627 2.951 1.00 15.00 H new ATOM 0 HB2 GLU B 121 9.558 -13.177 1.583 1.00 15.00 H new ATOM 0 HB3 GLU B 121 9.760 -14.917 1.632 1.00 15.00 H new ATOM 0 HG2 GLU B 121 7.694 -15.282 0.448 1.00 15.00 H new ATOM 0 HG3 GLU B 121 7.224 -13.602 0.617 1.00 15.00 H new ATOM 1687 N GLU B 122 8.733 -16.152 4.366 1.00 15.00 N ATOM 1688 CA GLU B 122 8.519 -17.516 4.827 1.00 15.00 C ATOM 1689 C GLU B 122 7.201 -17.636 5.601 1.00 15.00 C ATOM 1690 O GLU B 122 6.340 -18.443 5.247 1.00 15.00 O ATOM 1691 CB GLU B 122 9.689 -17.963 5.700 1.00 15.00 C ATOM 1692 CG GLU B 122 9.619 -19.420 6.114 1.00 15.00 C ATOM 1693 CD GLU B 122 10.078 -19.636 7.540 1.00 15.00 C ATOM 1694 OE1 GLU B 122 9.240 -19.999 8.390 1.00 15.00 O ATOM 1695 OE2 GLU B 122 11.280 -19.439 7.821 1.00 15.00 O1- ATOM 0 H GLU B 122 9.496 -15.664 4.835 1.00 15.00 H new ATOM 0 HA GLU B 122 8.457 -18.166 3.954 1.00 15.00 H new ATOM 0 HB2 GLU B 122 10.620 -17.792 5.159 1.00 15.00 H new ATOM 0 HB3 GLU B 122 9.721 -17.341 6.595 1.00 15.00 H new ATOM 0 HG2 GLU B 122 8.595 -19.777 6.007 1.00 15.00 H new ATOM 0 HG3 GLU B 122 10.236 -20.016 5.442 1.00 15.00 H new ATOM 1702 N ALA B 123 7.042 -16.828 6.645 1.00 15.00 N ATOM 1703 CA ALA B 123 5.827 -16.865 7.457 1.00 15.00 C ATOM 1704 C ALA B 123 5.543 -15.525 8.142 1.00 15.00 C ATOM 1705 O ALA B 123 4.396 -15.216 8.464 1.00 15.00 O ATOM 1706 CB ALA B 123 5.920 -17.974 8.498 1.00 15.00 C ATOM 0 H ALA B 123 7.734 -16.143 6.949 1.00 15.00 H new ATOM 0 HA ALA B 123 4.996 -17.068 6.781 1.00 15.00 H new ATOM 0 HB1 ALA B 123 5.008 -17.990 9.095 1.00 15.00 H new ATOM 0 HB2 ALA B 123 6.042 -18.934 7.997 1.00 15.00 H new ATOM 0 HB3 ALA B 123 6.776 -17.792 9.148 1.00 15.00 H new ATOM 1712 N GLU B 124 6.582 -14.728 8.361 1.00 15.00 N ATOM 1713 CA GLU B 124 6.430 -13.430 9.020 1.00 15.00 C ATOM 1714 C GLU B 124 5.946 -12.357 8.044 1.00 15.00 C ATOM 1715 O GLU B 124 6.015 -11.162 8.337 1.00 15.00 O ATOM 1716 CB GLU B 124 7.757 -12.994 9.644 1.00 15.00 C ATOM 1717 CG GLU B 124 8.176 -13.834 10.836 1.00 15.00 C ATOM 1718 CD GLU B 124 8.382 -13.001 12.077 1.00 15.00 C ATOM 1719 OE1 GLU B 124 7.381 -12.653 12.735 1.00 15.00 O ATOM 1720 OE2 GLU B 124 9.544 -12.674 12.394 1.00 15.00 O1- ATOM 0 H GLU B 124 7.540 -14.955 8.093 1.00 15.00 H new ATOM 0 HA GLU B 124 5.679 -13.545 9.801 1.00 15.00 H new ATOM 0 HB2 GLU B 124 8.538 -13.041 8.885 1.00 15.00 H new ATOM 0 HB3 GLU B 124 7.677 -11.952 9.955 1.00 15.00 H new ATOM 0 HG2 GLU B 124 7.416 -14.590 11.030 1.00 15.00 H new ATOM 0 HG3 GLU B 124 9.099 -14.363 10.599 1.00 15.00 H new ATOM 1727 N LEU B 125 5.436 -12.785 6.897 1.00 15.00 N ATOM 1728 CA LEU B 125 4.949 -11.865 5.879 1.00 15.00 C ATOM 1729 C LEU B 125 3.740 -11.090 6.391 1.00 15.00 C ATOM 1730 O LEU B 125 3.488 -9.961 5.969 1.00 15.00 O ATOM 1731 CB LEU B 125 4.598 -12.626 4.599 1.00 15.00 C ATOM 1732 CG LEU B 125 4.486 -11.771 3.332 1.00 15.00 C ATOM 1733 CD1 LEU B 125 5.802 -11.055 3.045 1.00 15.00 C ATOM 1734 CD2 LEU B 125 4.079 -12.634 2.147 1.00 15.00 C ATOM 0 H LEU B 125 5.349 -13.770 6.648 1.00 15.00 H new ATOM 0 HA LEU B 125 5.740 -11.151 5.651 1.00 15.00 H new ATOM 0 HB2 LEU B 125 5.355 -13.392 4.433 1.00 15.00 H new ATOM 0 HB3 LEU B 125 3.651 -13.143 4.753 1.00 15.00 H new ATOM 0 HG LEU B 125 3.717 -11.016 3.494 1.00 15.00 H new ATOM 0 HD11 LEU B 125 5.700 -10.454 2.141 1.00 15.00 H new ATOM 0 HD12 LEU B 125 6.055 -10.408 3.885 1.00 15.00 H new ATOM 0 HD13 LEU B 125 6.593 -11.791 2.903 1.00 15.00 H new ATOM 0 HD21 LEU B 125 4.003 -12.014 1.254 1.00 15.00 H new ATOM 0 HD22 LEU B 125 4.828 -13.410 1.988 1.00 15.00 H new ATOM 0 HD23 LEU B 125 3.114 -13.098 2.349 1.00 15.00 H new ATOM 1746 N GLU B 126 3.001 -11.703 7.310 1.00 15.00 N ATOM 1747 CA GLU B 126 1.837 -11.064 7.903 1.00 15.00 C ATOM 1748 C GLU B 126 2.280 -9.866 8.736 1.00 15.00 C ATOM 1749 O GLU B 126 1.704 -8.780 8.654 1.00 15.00 O ATOM 1750 CB GLU B 126 1.067 -12.059 8.775 1.00 15.00 C ATOM 1751 CG GLU B 126 0.525 -13.255 8.007 1.00 15.00 C ATOM 1752 CD GLU B 126 -0.210 -12.854 6.742 1.00 15.00 C ATOM 1753 OE1 GLU B 126 -1.034 -11.921 6.793 1.00 15.00 O ATOM 1754 OE2 GLU B 126 0.043 -13.461 5.683 1.00 15.00 O1- ATOM 0 H GLU B 126 3.190 -12.643 7.659 1.00 15.00 H new ATOM 0 HA GLU B 126 1.176 -10.722 7.107 1.00 15.00 H new ATOM 0 HB2 GLU B 126 1.723 -12.416 9.569 1.00 15.00 H new ATOM 0 HB3 GLU B 126 0.237 -11.541 9.255 1.00 15.00 H new ATOM 0 HG2 GLU B 126 1.349 -13.919 7.748 1.00 15.00 H new ATOM 0 HG3 GLU B 126 -0.149 -13.820 8.651 1.00 15.00 H new ATOM 1761 N ARG B 127 3.334 -10.067 9.517 1.00 15.00 N ATOM 1762 CA ARG B 127 3.873 -9.011 10.361 1.00 15.00 C ATOM 1763 C ARG B 127 4.542 -7.947 9.497 1.00 15.00 C ATOM 1764 O ARG B 127 4.529 -6.763 9.826 1.00 15.00 O ATOM 1765 CB ARG B 127 4.868 -9.591 11.369 1.00 15.00 C ATOM 1766 CG ARG B 127 5.368 -8.574 12.386 1.00 15.00 C ATOM 1767 CD ARG B 127 6.112 -9.241 13.534 1.00 15.00 C ATOM 1768 NE ARG B 127 7.341 -9.905 13.097 1.00 15.00 N ATOM 1769 CZ ARG B 127 8.495 -9.274 12.866 1.00 15.00 C ATOM 1770 NH1 ARG B 127 8.584 -7.953 13.020 1.00 15.00 N1+ ATOM 1771 NH2 ARG B 127 9.562 -9.969 12.495 1.00 15.00 N ATOM 0 H ARG B 127 3.833 -10.954 9.583 1.00 15.00 H new ATOM 0 HA ARG B 127 3.056 -8.548 10.915 1.00 15.00 H new ATOM 0 HB2 ARG B 127 4.396 -10.419 11.898 1.00 15.00 H new ATOM 0 HB3 ARG B 127 5.721 -10.002 10.829 1.00 15.00 H new ATOM 0 HG2 ARG B 127 6.027 -7.860 11.892 1.00 15.00 H new ATOM 0 HG3 ARG B 127 4.523 -8.009 12.780 1.00 15.00 H new ATOM 0 HD2 ARG B 127 6.356 -8.492 14.288 1.00 15.00 H new ATOM 0 HD3 ARG B 127 5.458 -9.972 14.010 1.00 15.00 H new ATOM 0 HE ARG B 127 7.314 -10.915 12.960 1.00 15.00 H new ATOM 0 HH11 ARG B 127 7.768 -7.418 13.316 1.00 15.00 H new ATOM 0 HH12 ARG B 127 9.468 -7.477 12.842 1.00 15.00 H new ATOM 0 HH21 ARG B 127 9.499 -10.981 12.387 1.00 15.00 H new ATOM 0 HH22 ARG B 127 10.445 -9.491 12.317 1.00 15.00 H new ATOM 1785 N LEU B 128 5.114 -8.392 8.382 1.00 15.00 N ATOM 1786 CA LEU B 128 5.781 -7.500 7.438 1.00 15.00 C ATOM 1787 C LEU B 128 4.780 -6.492 6.873 1.00 15.00 C ATOM 1788 O LEU B 128 5.096 -5.313 6.708 1.00 15.00 O ATOM 1789 CB LEU B 128 6.413 -8.325 6.305 1.00 15.00 C ATOM 1790 CG LEU B 128 7.424 -7.601 5.397 1.00 15.00 C ATOM 1791 CD1 LEU B 128 6.726 -6.977 4.198 1.00 15.00 C ATOM 1792 CD2 LEU B 128 8.203 -6.549 6.173 1.00 15.00 C ATOM 0 H LEU B 128 5.129 -9.374 8.108 1.00 15.00 H new ATOM 0 HA LEU B 128 6.568 -6.951 7.955 1.00 15.00 H new ATOM 0 HB2 LEU B 128 6.912 -9.186 6.750 1.00 15.00 H new ATOM 0 HB3 LEU B 128 5.610 -8.711 5.678 1.00 15.00 H new ATOM 0 HG LEU B 128 8.133 -8.343 5.031 1.00 15.00 H new ATOM 0 HD11 LEU B 128 7.461 -6.471 3.572 1.00 15.00 H new ATOM 0 HD12 LEU B 128 6.231 -7.756 3.619 1.00 15.00 H new ATOM 0 HD13 LEU B 128 5.986 -6.255 4.543 1.00 15.00 H new ATOM 0 HD21 LEU B 128 8.909 -6.054 5.506 1.00 15.00 H new ATOM 0 HD22 LEU B 128 7.512 -5.812 6.581 1.00 15.00 H new ATOM 0 HD23 LEU B 128 8.747 -7.027 6.988 1.00 15.00 H new ATOM 1804 N LYS B 129 3.569 -6.963 6.591 1.00 15.00 N ATOM 1805 CA LYS B 129 2.519 -6.106 6.054 1.00 15.00 C ATOM 1806 C LYS B 129 2.162 -5.000 7.042 1.00 15.00 C ATOM 1807 O LYS B 129 2.240 -3.816 6.715 1.00 15.00 O ATOM 1808 CB LYS B 129 1.272 -6.932 5.727 1.00 15.00 C ATOM 1809 CG LYS B 129 1.415 -7.798 4.491 1.00 15.00 C ATOM 1810 CD LYS B 129 0.162 -8.619 4.239 1.00 15.00 C ATOM 1811 CE LYS B 129 0.437 -10.106 4.388 1.00 15.00 C ATOM 1812 NZ LYS B 129 -0.810 -10.913 4.368 1.00 15.00 N1+ ATOM 0 H LYS B 129 3.291 -7.935 6.726 1.00 15.00 H new ATOM 0 HA LYS B 129 2.893 -5.647 5.139 1.00 15.00 H new ATOM 0 HB2 LYS B 129 1.036 -7.569 6.580 1.00 15.00 H new ATOM 0 HB3 LYS B 129 0.427 -6.257 5.590 1.00 15.00 H new ATOM 0 HG2 LYS B 129 1.619 -7.168 3.625 1.00 15.00 H new ATOM 0 HG3 LYS B 129 2.270 -8.464 4.609 1.00 15.00 H new ATOM 0 HD2 LYS B 129 -0.618 -8.319 4.939 1.00 15.00 H new ATOM 0 HD3 LYS B 129 -0.213 -8.415 3.236 1.00 15.00 H new ATOM 0 HE2 LYS B 129 1.093 -10.435 3.582 1.00 15.00 H new ATOM 0 HE3 LYS B 129 0.967 -10.284 5.324 1.00 15.00 H new ATOM 0 HZ1 LYS B 129 -0.620 -11.834 3.924 1.00 15.00 H new ATOM 0 HZ2 LYS B 129 -1.144 -11.060 5.342 1.00 15.00 H new ATOM 0 HZ3 LYS B 129 -1.540 -10.411 3.824 1.00 15.00 H new ATOM 1826 N SER B 130 1.797 -5.400 8.253 1.00 15.00 N ATOM 1827 CA SER B 130 1.420 -4.459 9.299 1.00 15.00 C ATOM 1828 C SER B 130 2.571 -3.506 9.639 1.00 15.00 C ATOM 1829 O SER B 130 2.351 -2.324 9.923 1.00 15.00 O ATOM 1830 CB SER B 130 0.983 -5.224 10.547 1.00 15.00 C ATOM 1831 OG SER B 130 0.010 -6.214 10.233 1.00 15.00 O ATOM 0 H SER B 130 1.754 -6.379 8.537 1.00 15.00 H new ATOM 0 HA SER B 130 0.589 -3.857 8.931 1.00 15.00 H new ATOM 0 HB2 SER B 130 1.850 -5.697 11.008 1.00 15.00 H new ATOM 0 HB3 SER B 130 0.573 -4.527 11.278 1.00 15.00 H new ATOM 0 HG SER B 130 -0.372 -6.028 9.350 1.00 15.00 H new ATOM 1837 N GLU B 131 3.795 -4.021 9.603 1.00 15.00 N ATOM 1838 CA GLU B 131 4.972 -3.219 9.910 1.00 15.00 C ATOM 1839 C GLU B 131 5.177 -2.136 8.853 1.00 15.00 C ATOM 1840 O GLU B 131 5.567 -1.013 9.172 1.00 15.00 O ATOM 1841 CB GLU B 131 6.217 -4.107 10.001 1.00 15.00 C ATOM 1842 CG GLU B 131 7.395 -3.429 10.678 1.00 15.00 C ATOM 1843 CD GLU B 131 8.608 -4.329 10.787 1.00 15.00 C ATOM 1844 OE1 GLU B 131 8.833 -4.908 11.876 1.00 15.00 O ATOM 1845 OE2 GLU B 131 9.348 -4.458 9.794 1.00 15.00 O1- ATOM 0 H GLU B 131 3.997 -4.992 9.364 1.00 15.00 H new ATOM 0 HA GLU B 131 4.813 -2.737 10.875 1.00 15.00 H new ATOM 0 HB2 GLU B 131 5.967 -5.015 10.549 1.00 15.00 H new ATOM 0 HB3 GLU B 131 6.511 -4.411 8.996 1.00 15.00 H new ATOM 0 HG2 GLU B 131 7.663 -2.533 10.119 1.00 15.00 H new ATOM 0 HG3 GLU B 131 7.098 -3.105 11.676 1.00 15.00 H new ATOM 1852 N ARG B 132 4.887 -2.476 7.599 1.00 15.00 N ATOM 1853 CA ARG B 132 5.041 -1.536 6.491 1.00 15.00 C ATOM 1854 C ARG B 132 4.158 -0.307 6.695 1.00 15.00 C ATOM 1855 O ARG B 132 4.494 0.792 6.249 1.00 15.00 O ATOM 1856 CB ARG B 132 4.693 -2.211 5.162 1.00 15.00 C ATOM 1857 CG ARG B 132 5.469 -1.654 3.978 1.00 15.00 C ATOM 1858 CD ARG B 132 4.567 -1.402 2.782 1.00 15.00 C ATOM 1859 NE ARG B 132 5.222 -0.559 1.782 1.00 15.00 N ATOM 1860 CZ ARG B 132 5.398 0.754 1.920 1.00 15.00 C ATOM 1861 NH1 ARG B 132 4.976 1.375 3.011 1.00 15.00 N1+ ATOM 1862 NH2 ARG B 132 6.000 1.445 0.965 1.00 15.00 N ATOM 0 H ARG B 132 4.544 -3.396 7.325 1.00 15.00 H new ATOM 0 HA ARG B 132 6.083 -1.216 6.464 1.00 15.00 H new ATOM 0 HB2 ARG B 132 4.889 -3.280 5.244 1.00 15.00 H new ATOM 0 HB3 ARG B 132 3.626 -2.096 4.973 1.00 15.00 H new ATOM 0 HG2 ARG B 132 5.957 -0.723 4.268 1.00 15.00 H new ATOM 0 HG3 ARG B 132 6.257 -2.353 3.698 1.00 15.00 H new ATOM 0 HD2 ARG B 132 4.287 -2.353 2.330 1.00 15.00 H new ATOM 0 HD3 ARG B 132 3.646 -0.924 3.115 1.00 15.00 H new ATOM 0 HE ARG B 132 5.564 -1.002 0.929 1.00 15.00 H new ATOM 0 HH11 ARG B 132 4.513 0.848 3.751 1.00 15.00 H new ATOM 0 HH12 ARG B 132 5.114 2.381 3.111 1.00 15.00 H new ATOM 0 HH21 ARG B 132 6.329 0.972 0.123 1.00 15.00 H new ATOM 0 HH22 ARG B 132 6.135 2.451 1.071 1.00 15.00 H new ATOM 1876 N HIS B 133 3.027 -0.504 7.362 1.00 15.00 N ATOM 1877 CA HIS B 133 2.093 0.583 7.640 1.00 15.00 C ATOM 1878 C HIS B 133 2.704 1.584 8.613 1.00 15.00 C ATOM 1879 O HIS B 133 2.676 2.792 8.381 1.00 15.00 O ATOM 1880 CB HIS B 133 0.788 0.041 8.235 1.00 15.00 C ATOM 1881 CG HIS B 133 -0.137 -0.596 7.242 1.00 15.00 C ATOM 1882 ND1 HIS B 133 -1.492 -0.689 7.261 1.00 15.00 N flip ATOM 1883 CD2 HIS B 133 0.337 -1.216 6.111 1.00 15.00 C flip ATOM 1884 CE1 HIS B 133 -1.854 -1.376 6.134 1.00 15.00 C flip ATOM 1885 NE2 HIS B 133 -0.727 -1.672 5.474 1.00 15.00 N flip ATOM 0 H HIS B 133 2.732 -1.412 7.723 1.00 15.00 H new ATOM 0 HA HIS B 133 1.879 1.082 6.695 1.00 15.00 H new ATOM 0 HB2 HIS B 133 1.032 -0.691 9.005 1.00 15.00 H new ATOM 0 HB3 HIS B 133 0.262 0.859 8.728 1.00 15.00 H new ATOM 0 HD2 HIS B 133 1.368 -1.311 5.805 1.00 15.00 H new ATOM 0 HE1 HIS B 133 -2.859 -1.631 5.833 1.00 15.00 H new ATOM 0 HE2 HIS B 133 -0.694 -2.184 4.592 1.00 15.00 H new ATOM 1893 N ASP B 134 3.279 1.071 9.698 1.00 15.00 N ATOM 1894 CA ASP B 134 3.879 1.922 10.721 1.00 15.00 C ATOM 1895 C ASP B 134 5.194 2.528 10.239 1.00 15.00 C ATOM 1896 O ASP B 134 5.482 3.693 10.500 1.00 15.00 O ATOM 1897 CB ASP B 134 4.110 1.130 12.007 1.00 15.00 C ATOM 1898 CG ASP B 134 4.293 2.033 13.210 1.00 15.00 C ATOM 1899 OD1 ASP B 134 5.371 1.989 13.835 1.00 15.00 O ATOM 1900 OD2 ASP B 134 3.351 2.789 13.538 1.00 15.00 O1- ATOM 0 H ASP B 134 3.342 0.071 9.891 1.00 15.00 H new ATOM 0 HA ASP B 134 3.183 2.736 10.923 1.00 15.00 H new ATOM 0 HB2 ASP B 134 3.264 0.465 12.179 1.00 15.00 H new ATOM 0 HB3 ASP B 134 4.992 0.500 11.890 1.00 15.00 H new ATOM 1905 N HIS B 135 5.982 1.739 9.524 1.00 15.00 N ATOM 1906 CA HIS B 135 7.269 2.201 9.009 1.00 15.00 C ATOM 1907 C HIS B 135 7.092 3.350 8.022 1.00 15.00 C ATOM 1908 O HIS B 135 7.936 4.238 7.940 1.00 15.00 O ATOM 1909 CB HIS B 135 8.026 1.051 8.334 1.00 15.00 C ATOM 1910 CG HIS B 135 8.843 0.228 9.282 1.00 15.00 C ATOM 1911 ND1 HIS B 135 9.910 -0.527 8.846 1.00 15.00 N ATOM 1912 CD2 HIS B 135 8.715 0.078 10.624 1.00 15.00 C ATOM 1913 CE1 HIS B 135 10.399 -1.118 9.923 1.00 15.00 C ATOM 1914 NE2 HIS B 135 9.708 -0.781 11.019 1.00 15.00 N ATOM 0 H HIS B 135 5.755 0.774 9.285 1.00 15.00 H new ATOM 0 HA HIS B 135 7.850 2.562 9.858 1.00 15.00 H new ATOM 0 HB2 HIS B 135 7.309 0.403 7.829 1.00 15.00 H new ATOM 0 HB3 HIS B 135 8.681 1.461 7.565 1.00 15.00 H new ATOM 0 HD2 HIS B 135 7.975 0.544 11.258 1.00 15.00 H new ATOM 0 HE1 HIS B 135 11.247 -1.787 9.919 1.00 15.00 H new ATOM 0 HE2 HIS B 135 9.887 -1.103 11.970 1.00 15.00 H new ATOM 1922 N ASP B 136 5.985 3.338 7.287 1.00 15.00 N ATOM 1923 CA ASP B 136 5.721 4.374 6.294 1.00 15.00 C ATOM 1924 C ASP B 136 5.526 5.742 6.937 1.00 15.00 C ATOM 1925 O ASP B 136 6.113 6.732 6.494 1.00 15.00 O ATOM 1926 CB ASP B 136 4.494 4.024 5.463 1.00 15.00 C ATOM 1927 CG ASP B 136 4.609 4.546 4.048 1.00 15.00 C ATOM 1928 OD1 ASP B 136 5.351 3.928 3.254 1.00 15.00 O ATOM 1929 OD2 ASP B 136 3.965 5.562 3.722 1.00 15.00 O1- ATOM 0 H ASP B 136 5.259 2.626 7.359 1.00 15.00 H new ATOM 0 HA ASP B 136 6.597 4.423 5.647 1.00 15.00 H new ATOM 0 HB2 ASP B 136 4.365 2.942 5.442 1.00 15.00 H new ATOM 0 HB3 ASP B 136 3.604 4.442 5.934 1.00 15.00 H new ATOM 1934 N LYS B 137 4.716 5.793 7.992 1.00 15.00 N ATOM 1935 CA LYS B 137 4.446 7.053 8.682 1.00 15.00 C ATOM 1936 C LYS B 137 5.723 7.610 9.313 1.00 15.00 C ATOM 1937 O LYS B 137 5.866 8.820 9.480 1.00 15.00 O ATOM 1938 CB LYS B 137 3.355 6.869 9.747 1.00 15.00 C ATOM 1939 CG LYS B 137 3.825 6.159 11.009 1.00 15.00 C ATOM 1940 CD LYS B 137 2.707 6.009 12.031 1.00 15.00 C ATOM 1941 CE LYS B 137 1.650 5.015 11.575 1.00 15.00 C ATOM 1942 NZ LYS B 137 1.202 4.145 12.690 1.00 15.00 N1+ ATOM 0 H LYS B 137 4.238 4.983 8.386 1.00 15.00 H new ATOM 0 HA LYS B 137 4.086 7.771 7.945 1.00 15.00 H new ATOM 0 HB2 LYS B 137 2.961 7.848 10.020 1.00 15.00 H new ATOM 0 HB3 LYS B 137 2.531 6.304 9.312 1.00 15.00 H new ATOM 0 HG2 LYS B 137 4.211 5.174 10.748 1.00 15.00 H new ATOM 0 HG3 LYS B 137 4.649 6.717 11.453 1.00 15.00 H new ATOM 0 HD2 LYS B 137 3.127 5.682 12.982 1.00 15.00 H new ATOM 0 HD3 LYS B 137 2.242 6.979 12.205 1.00 15.00 H new ATOM 0 HE2 LYS B 137 0.795 5.554 11.167 1.00 15.00 H new ATOM 0 HE3 LYS B 137 2.052 4.399 10.771 1.00 15.00 H new ATOM 0 HZ1 LYS B 137 0.349 3.624 12.403 1.00 15.00 H new ATOM 0 HZ2 LYS B 137 1.956 3.470 12.928 1.00 15.00 H new ATOM 0 HZ3 LYS B 137 0.986 4.730 13.522 1.00 15.00 H new ATOM 1956 N LYS B 138 6.646 6.718 9.658 1.00 15.00 N ATOM 1957 CA LYS B 138 7.912 7.121 10.256 1.00 15.00 C ATOM 1958 C LYS B 138 8.874 7.593 9.170 1.00 15.00 C ATOM 1959 O LYS B 138 9.668 8.514 9.375 1.00 15.00 O ATOM 1960 CB LYS B 138 8.527 5.958 11.041 1.00 15.00 C ATOM 1961 CG LYS B 138 9.733 6.351 11.880 1.00 15.00 C ATOM 1962 CD LYS B 138 9.364 7.370 12.947 1.00 15.00 C ATOM 1963 CE LYS B 138 10.574 7.771 13.775 1.00 15.00 C ATOM 1964 NZ LYS B 138 11.031 6.672 14.666 1.00 15.00 N1+ ATOM 0 H LYS B 138 6.540 5.711 9.533 1.00 15.00 H new ATOM 0 HA LYS B 138 7.727 7.944 10.947 1.00 15.00 H new ATOM 0 HB2 LYS B 138 7.766 5.531 11.694 1.00 15.00 H new ATOM 0 HB3 LYS B 138 8.823 5.176 10.341 1.00 15.00 H new ATOM 0 HG2 LYS B 138 10.153 5.463 12.353 1.00 15.00 H new ATOM 0 HG3 LYS B 138 10.508 6.764 11.234 1.00 15.00 H new ATOM 0 HD2 LYS B 138 8.935 8.254 12.475 1.00 15.00 H new ATOM 0 HD3 LYS B 138 8.597 6.954 13.600 1.00 15.00 H new ATOM 0 HE2 LYS B 138 11.388 8.060 13.110 1.00 15.00 H new ATOM 0 HE3 LYS B 138 10.327 8.646 14.376 1.00 15.00 H new ATOM 0 HZ1 LYS B 138 11.814 7.010 15.261 1.00 15.00 H new ATOM 0 HZ2 LYS B 138 10.243 6.366 15.272 1.00 15.00 H new ATOM 0 HZ3 LYS B 138 11.355 5.870 14.089 1.00 15.00 H new ATOM 1978 N GLU B 139 8.786 6.956 8.014 1.00 15.00 N ATOM 1979 CA GLU B 139 9.628 7.306 6.880 1.00 15.00 C ATOM 1980 C GLU B 139 9.312 8.709 6.382 1.00 15.00 C ATOM 1981 O GLU B 139 10.218 9.477 6.068 1.00 15.00 O ATOM 1982 CB GLU B 139 9.442 6.296 5.752 1.00 15.00 C ATOM 1983 CG GLU B 139 10.430 5.149 5.821 1.00 15.00 C ATOM 1984 CD GLU B 139 11.857 5.638 5.920 1.00 15.00 C ATOM 1985 OE1 GLU B 139 12.389 6.141 4.904 1.00 15.00 O ATOM 1986 OE2 GLU B 139 12.456 5.528 7.010 1.00 15.00 O1- ATOM 0 H GLU B 139 8.137 6.190 7.835 1.00 15.00 H new ATOM 0 HA GLU B 139 10.667 7.284 7.209 1.00 15.00 H new ATOM 0 HB2 GLU B 139 8.428 5.898 5.790 1.00 15.00 H new ATOM 0 HB3 GLU B 139 9.549 6.805 4.794 1.00 15.00 H new ATOM 0 HG2 GLU B 139 10.200 4.524 6.684 1.00 15.00 H new ATOM 0 HG3 GLU B 139 10.322 4.523 4.935 1.00 15.00 H new ATOM 1993 N ALA B 140 8.027 9.043 6.337 1.00 15.00 N ATOM 1994 CA ALA B 140 7.585 10.358 5.882 1.00 15.00 C ATOM 1995 C ALA B 140 8.152 11.470 6.762 1.00 15.00 C ATOM 1996 O ALA B 140 8.355 12.596 6.306 1.00 15.00 O ATOM 1997 CB ALA B 140 6.064 10.418 5.858 1.00 15.00 C ATOM 0 H ALA B 140 7.269 8.418 6.611 1.00 15.00 H new ATOM 0 HA ALA B 140 7.962 10.512 4.871 1.00 15.00 H new ATOM 0 HB1 ALA B 140 5.744 11.403 5.517 1.00 15.00 H new ATOM 0 HB2 ALA B 140 5.681 9.657 5.179 1.00 15.00 H new ATOM 0 HB3 ALA B 140 5.677 10.238 6.861 1.00 15.00 H new ATOM 2003 N GLU B 141 8.419 11.144 8.022 1.00 15.00 N ATOM 2004 CA GLU B 141 8.963 12.115 8.961 1.00 15.00 C ATOM 2005 C GLU B 141 10.444 12.377 8.679 1.00 15.00 C ATOM 2006 O GLU B 141 10.922 13.503 8.813 1.00 15.00 O ATOM 2007 CB GLU B 141 8.772 11.634 10.402 1.00 15.00 C ATOM 2008 CG GLU B 141 8.136 12.678 11.309 1.00 15.00 C ATOM 2009 CD GLU B 141 6.698 12.984 10.935 1.00 15.00 C ATOM 2010 OE1 GLU B 141 6.473 13.689 9.928 1.00 15.00 O ATOM 2011 OE2 GLU B 141 5.783 12.516 11.645 1.00 15.00 O1- ATOM 0 H GLU B 141 8.267 10.215 8.415 1.00 15.00 H new ATOM 0 HA GLU B 141 8.420 13.051 8.831 1.00 15.00 H new ATOM 0 HB2 GLU B 141 8.150 10.739 10.399 1.00 15.00 H new ATOM 0 HB3 GLU B 141 9.740 11.348 10.813 1.00 15.00 H new ATOM 0 HG2 GLU B 141 8.172 12.327 12.340 1.00 15.00 H new ATOM 0 HG3 GLU B 141 8.721 13.596 11.265 1.00 15.00 H new ATOM 2018 N ARG B 142 11.160 11.335 8.273 1.00 15.00 N ATOM 2019 CA ARG B 142 12.584 11.463 7.973 1.00 15.00 C ATOM 2020 C ARG B 142 12.798 12.000 6.562 1.00 15.00 C ATOM 2021 O ARG B 142 13.558 12.946 6.355 1.00 15.00 O ATOM 2022 CB ARG B 142 13.301 10.112 8.127 1.00 15.00 C ATOM 2023 CG ARG B 142 14.705 10.105 7.529 1.00 15.00 C ATOM 2024 CD ARG B 142 15.502 8.871 7.930 1.00 15.00 C ATOM 2025 NE ARG B 142 14.930 7.630 7.398 1.00 15.00 N ATOM 2026 CZ ARG B 142 15.538 6.840 6.511 1.00 15.00 C ATOM 2027 NH1 ARG B 142 16.735 7.150 6.032 1.00 15.00 N1+ ATOM 2028 NH2 ARG B 142 14.936 5.742 6.091 1.00 15.00 N ATOM 0 H ARG B 142 10.782 10.396 8.144 1.00 15.00 H new ATOM 0 HA ARG B 142 13.008 12.170 8.686 1.00 15.00 H new ATOM 0 HB2 ARG B 142 13.363 9.859 9.186 1.00 15.00 H new ATOM 0 HB3 ARG B 142 12.705 9.335 7.648 1.00 15.00 H new ATOM 0 HG2 ARG B 142 14.634 10.151 6.442 1.00 15.00 H new ATOM 0 HG3 ARG B 142 15.239 10.999 7.852 1.00 15.00 H new ATOM 0 HD2 ARG B 142 16.527 8.975 7.575 1.00 15.00 H new ATOM 0 HD3 ARG B 142 15.546 8.809 9.017 1.00 15.00 H new ATOM 0 HE ARG B 142 14.006 7.352 7.728 1.00 15.00 H new ATOM 0 HH11 ARG B 142 17.203 8.002 6.341 1.00 15.00 H new ATOM 0 HH12 ARG B 142 17.188 6.537 5.354 1.00 15.00 H new ATOM 0 HH21 ARG B 142 14.010 5.501 6.445 1.00 15.00 H new ATOM 0 HH22 ARG B 142 15.397 5.135 5.413 1.00 15.00 H new ATOM 2042 N LYS B 143 12.098 11.405 5.599 1.00 15.00 N ATOM 2043 CA LYS B 143 12.218 11.791 4.195 1.00 15.00 C ATOM 2044 C LYS B 143 11.895 13.265 3.970 1.00 15.00 C ATOM 2045 O LYS B 143 12.404 13.870 3.029 1.00 15.00 O ATOM 2046 CB LYS B 143 11.314 10.919 3.326 1.00 15.00 C ATOM 2047 CG LYS B 143 11.785 9.475 3.210 1.00 15.00 C ATOM 2048 CD LYS B 143 13.049 9.362 2.374 1.00 15.00 C ATOM 2049 CE LYS B 143 13.544 7.925 2.299 1.00 15.00 C ATOM 2050 NZ LYS B 143 14.277 7.518 3.528 1.00 15.00 N1+ ATOM 0 H LYS B 143 11.436 10.647 5.768 1.00 15.00 H new ATOM 0 HA LYS B 143 13.258 11.637 3.908 1.00 15.00 H new ATOM 0 HB2 LYS B 143 10.306 10.931 3.740 1.00 15.00 H new ATOM 0 HB3 LYS B 143 11.254 11.354 2.328 1.00 15.00 H new ATOM 0 HG2 LYS B 143 11.970 9.071 4.205 1.00 15.00 H new ATOM 0 HG3 LYS B 143 10.997 8.870 2.762 1.00 15.00 H new ATOM 0 HD2 LYS B 143 12.855 9.734 1.368 1.00 15.00 H new ATOM 0 HD3 LYS B 143 13.827 9.994 2.803 1.00 15.00 H new ATOM 0 HE2 LYS B 143 12.696 7.258 2.146 1.00 15.00 H new ATOM 0 HE3 LYS B 143 14.198 7.812 1.434 1.00 15.00 H new ATOM 0 HZ1 LYS B 143 15.040 6.858 3.275 1.00 15.00 H new ATOM 0 HZ2 LYS B 143 14.684 8.359 3.984 1.00 15.00 H new ATOM 0 HZ3 LYS B 143 13.620 7.051 4.185 1.00 15.00 H new ATOM 2064 N ALA B 144 11.062 13.834 4.838 1.00 15.00 N ATOM 2065 CA ALA B 144 10.690 15.242 4.729 1.00 15.00 C ATOM 2066 C ALA B 144 11.924 16.140 4.799 1.00 15.00 C ATOM 2067 O ALA B 144 12.070 17.073 4.013 1.00 15.00 O ATOM 2068 CB ALA B 144 9.699 15.615 5.824 1.00 15.00 C ATOM 0 H ALA B 144 10.633 13.343 5.623 1.00 15.00 H new ATOM 0 HA ALA B 144 10.215 15.394 3.760 1.00 15.00 H new ATOM 0 HB1 ALA B 144 9.431 16.667 5.729 1.00 15.00 H new ATOM 0 HB2 ALA B 144 8.803 15.003 5.727 1.00 15.00 H new ATOM 0 HB3 ALA B 144 10.153 15.442 6.800 1.00 15.00 H new ATOM 2074 N LEU B 145 12.808 15.850 5.745 1.00 15.00 N ATOM 2075 CA LEU B 145 14.031 16.626 5.914 1.00 15.00 C ATOM 2076 C LEU B 145 15.166 16.039 5.080 1.00 15.00 C ATOM 2077 O LEU B 145 16.007 16.766 4.556 1.00 15.00 O ATOM 2078 CB LEU B 145 14.441 16.669 7.392 1.00 15.00 C ATOM 2079 CG LEU B 145 13.741 17.731 8.251 1.00 15.00 C ATOM 2080 CD1 LEU B 145 13.791 19.094 7.576 1.00 15.00 C ATOM 2081 CD2 LEU B 145 12.302 17.330 8.548 1.00 15.00 C ATOM 0 H LEU B 145 12.701 15.082 6.408 1.00 15.00 H new ATOM 0 HA LEU B 145 13.834 17.641 5.570 1.00 15.00 H new ATOM 0 HB2 LEU B 145 14.249 15.690 7.831 1.00 15.00 H new ATOM 0 HB3 LEU B 145 15.517 16.837 7.446 1.00 15.00 H new ATOM 0 HG LEU B 145 14.275 17.801 9.198 1.00 15.00 H new ATOM 0 HD11 LEU B 145 13.288 19.830 8.204 1.00 15.00 H new ATOM 0 HD12 LEU B 145 14.830 19.390 7.431 1.00 15.00 H new ATOM 0 HD13 LEU B 145 13.290 19.040 6.609 1.00 15.00 H new ATOM 0 HD21 LEU B 145 11.828 18.099 9.158 1.00 15.00 H new ATOM 0 HD22 LEU B 145 11.754 17.221 7.612 1.00 15.00 H new ATOM 0 HD23 LEU B 145 12.292 16.383 9.087 1.00 15.00 H new ATOM 2093 N GLU B 146 15.169 14.716 4.961 1.00 15.00 N ATOM 2094 CA GLU B 146 16.196 13.995 4.216 1.00 15.00 C ATOM 2095 C GLU B 146 16.248 14.430 2.751 1.00 15.00 C ATOM 2096 O GLU B 146 17.302 14.824 2.249 1.00 15.00 O ATOM 2097 CB GLU B 146 15.924 12.493 4.303 1.00 15.00 C ATOM 2098 CG GLU B 146 17.157 11.622 4.133 1.00 15.00 C ATOM 2099 CD GLU B 146 16.902 10.185 4.535 1.00 15.00 C ATOM 2100 OE1 GLU B 146 15.933 9.584 4.022 1.00 15.00 O ATOM 2101 OE2 GLU B 146 17.670 9.645 5.362 1.00 15.00 O1- ATOM 0 H GLU B 146 14.460 14.113 5.378 1.00 15.00 H new ATOM 0 HA GLU B 146 17.163 14.228 4.662 1.00 15.00 H new ATOM 0 HB2 GLU B 146 15.469 12.274 5.269 1.00 15.00 H new ATOM 0 HB3 GLU B 146 15.195 12.223 3.539 1.00 15.00 H new ATOM 0 HG2 GLU B 146 17.482 11.654 3.093 1.00 15.00 H new ATOM 0 HG3 GLU B 146 17.971 12.027 4.734 1.00 15.00 H new ATOM 2108 N ASP B 147 15.105 14.377 2.081 1.00 15.00 N ATOM 2109 CA ASP B 147 15.026 14.745 0.668 1.00 15.00 C ATOM 2110 C ASP B 147 15.177 16.252 0.483 1.00 15.00 C ATOM 2111 O ASP B 147 15.528 16.731 -0.595 1.00 15.00 O ATOM 2112 CB ASP B 147 13.694 14.273 0.084 1.00 15.00 C ATOM 2113 CG ASP B 147 13.655 14.334 -1.430 1.00 15.00 C ATOM 2114 OD1 ASP B 147 14.240 13.442 -2.084 1.00 15.00 O ATOM 2115 OD2 ASP B 147 13.001 15.249 -1.972 1.00 15.00 O1- ATOM 0 H ASP B 147 14.218 14.083 2.490 1.00 15.00 H new ATOM 0 HA ASP B 147 15.845 14.257 0.140 1.00 15.00 H new ATOM 0 HB2 ASP B 147 13.505 13.249 0.406 1.00 15.00 H new ATOM 0 HB3 ASP B 147 12.889 14.887 0.488 1.00 15.00 H new ATOM 2120 N LYS B 148 14.920 16.994 1.551 1.00 15.00 N ATOM 2121 CA LYS B 148 15.027 18.449 1.524 1.00 15.00 C ATOM 2122 C LYS B 148 16.489 18.876 1.606 1.00 15.00 C ATOM 2123 O LYS B 148 16.894 19.879 1.014 1.00 15.00 O ATOM 2124 CB LYS B 148 14.239 19.054 2.687 1.00 15.00 C ATOM 2125 CG LYS B 148 13.987 20.547 2.558 1.00 15.00 C ATOM 2126 CD LYS B 148 13.165 21.063 3.724 1.00 15.00 C ATOM 2127 CE LYS B 148 12.741 22.508 3.513 1.00 15.00 C ATOM 2128 NZ LYS B 148 11.736 22.943 4.517 1.00 15.00 N1+ ATOM 0 H LYS B 148 14.634 16.611 2.452 1.00 15.00 H new ATOM 0 HA LYS B 148 14.610 18.812 0.585 1.00 15.00 H new ATOM 0 HB2 LYS B 148 13.281 18.541 2.768 1.00 15.00 H new ATOM 0 HB3 LYS B 148 14.780 18.867 3.614 1.00 15.00 H new ATOM 0 HG2 LYS B 148 14.938 21.078 2.516 1.00 15.00 H new ATOM 0 HG3 LYS B 148 13.466 20.752 1.623 1.00 15.00 H new ATOM 0 HD2 LYS B 148 12.281 20.439 3.851 1.00 15.00 H new ATOM 0 HD3 LYS B 148 13.746 20.984 4.643 1.00 15.00 H new ATOM 0 HE2 LYS B 148 13.616 23.155 3.571 1.00 15.00 H new ATOM 0 HE3 LYS B 148 12.326 22.622 2.511 1.00 15.00 H new ATOM 0 HZ1 LYS B 148 11.473 23.933 4.339 1.00 15.00 H new ATOM 0 HZ2 LYS B 148 10.890 22.342 4.445 1.00 15.00 H new ATOM 0 HZ3 LYS B 148 12.140 22.859 5.472 1.00 15.00 H new ATOM 2142 N LEU B 149 17.274 18.113 2.349 1.00 15.00 N ATOM 2143 CA LEU B 149 18.691 18.398 2.521 1.00 15.00 C ATOM 2144 C LEU B 149 19.509 17.801 1.379 1.00 15.00 C ATOM 2145 O LEU B 149 20.382 18.462 0.812 1.00 15.00 O ATOM 2146 CB LEU B 149 19.162 17.836 3.866 1.00 15.00 C ATOM 2147 CG LEU B 149 20.674 17.683 4.024 1.00 15.00 C ATOM 2148 CD1 LEU B 149 21.330 19.030 4.291 1.00 15.00 C ATOM 2149 CD2 LEU B 149 20.991 16.692 5.135 1.00 15.00 C ATOM 0 H LEU B 149 16.951 17.284 2.847 1.00 15.00 H new ATOM 0 HA LEU B 149 18.838 19.478 2.508 1.00 15.00 H new ATOM 0 HB2 LEU B 149 18.796 18.487 4.660 1.00 15.00 H new ATOM 0 HB3 LEU B 149 18.699 16.861 4.014 1.00 15.00 H new ATOM 0 HG LEU B 149 21.082 17.294 3.091 1.00 15.00 H new ATOM 0 HD11 LEU B 149 22.406 18.895 4.400 1.00 15.00 H new ATOM 0 HD12 LEU B 149 21.131 19.703 3.457 1.00 15.00 H new ATOM 0 HD13 LEU B 149 20.923 19.457 5.207 1.00 15.00 H new ATOM 0 HD21 LEU B 149 22.072 16.593 5.237 1.00 15.00 H new ATOM 0 HD22 LEU B 149 20.570 17.051 6.074 1.00 15.00 H new ATOM 0 HD23 LEU B 149 20.559 15.722 4.891 1.00 15.00 H new ATOM 2161 N ALA B 150 19.215 16.556 1.036 1.00 15.00 N ATOM 2162 CA ALA B 150 19.927 15.870 -0.030 1.00 15.00 C ATOM 2163 C ALA B 150 19.003 15.616 -1.215 1.00 15.00 C ATOM 2164 O ALA B 150 18.117 14.761 -1.151 1.00 15.00 O ATOM 2165 CB ALA B 150 20.506 14.562 0.491 1.00 15.00 C ATOM 0 H ALA B 150 18.486 15.999 1.482 1.00 15.00 H new ATOM 0 HA ALA B 150 20.746 16.504 -0.371 1.00 15.00 H new ATOM 0 HB1 ALA B 150 21.038 14.054 -0.313 1.00 15.00 H new ATOM 0 HB2 ALA B 150 21.197 14.770 1.308 1.00 15.00 H new ATOM 0 HB3 ALA B 150 19.699 13.925 0.851 1.00 15.00 H new ATOM 2171 N ASP B 151 19.215 16.358 -2.296 1.00 15.00 N ATOM 2172 CA ASP B 151 18.392 16.221 -3.493 1.00 15.00 C ATOM 2173 C ASP B 151 18.654 14.888 -4.183 1.00 15.00 C ATOM 2174 O ASP B 151 17.752 14.298 -4.777 1.00 15.00 O ATOM 2175 CB ASP B 151 18.627 17.392 -4.461 1.00 15.00 C ATOM 2176 CG ASP B 151 19.940 17.309 -5.223 1.00 15.00 C ATOM 2177 OD1 ASP B 151 21.018 17.348 -4.583 1.00 15.00 O ATOM 2178 OD2 ASP B 151 19.899 17.242 -6.468 1.00 15.00 O1- ATOM 0 H ASP B 151 19.950 17.061 -2.369 1.00 15.00 H new ATOM 0 HA ASP B 151 17.347 16.244 -3.185 1.00 15.00 H new ATOM 0 HB2 ASP B 151 17.805 17.430 -5.176 1.00 15.00 H new ATOM 0 HB3 ASP B 151 18.603 18.325 -3.899 1.00 15.00 H new ATOM 2183 N TYR B 152 19.878 14.402 -4.081 1.00 15.00 N ATOM 2184 CA TYR B 152 20.243 13.132 -4.685 1.00 15.00 C ATOM 2185 C TYR B 152 20.727 12.166 -3.617 1.00 15.00 C ATOM 2186 O TYR B 152 19.983 11.219 -3.295 1.00 15.00 O ATOM 2187 CB TYR B 152 21.319 13.320 -5.762 1.00 15.00 C ATOM 2188 CG TYR B 152 20.754 13.507 -7.152 1.00 15.00 C ATOM 2189 CD1 TYR B 152 20.867 14.723 -7.810 1.00 15.00 C ATOM 2190 CD2 TYR B 152 20.100 12.469 -7.802 1.00 15.00 C ATOM 2191 CE1 TYR B 152 20.344 14.901 -9.076 1.00 15.00 C ATOM 2192 CE2 TYR B 152 19.577 12.637 -9.068 1.00 15.00 C ATOM 2193 CZ TYR B 152 19.701 13.857 -9.700 1.00 15.00 C ATOM 2194 OH TYR B 152 19.176 14.033 -10.962 1.00 15.00 O ATOM 2195 OXT TYR B 152 21.836 12.373 -3.084 1.00 15.00 O1- ATOM 0 H TYR B 152 20.638 14.868 -3.585 1.00 15.00 H new ATOM 0 HA TYR B 152 19.357 12.716 -5.165 1.00 15.00 H new ATOM 0 HB2 TYR B 152 21.930 14.186 -5.507 1.00 15.00 H new ATOM 0 HB3 TYR B 152 21.979 12.453 -5.760 1.00 15.00 H new ATOM 0 HD1 TYR B 152 21.372 15.544 -7.324 1.00 15.00 H new ATOM 0 HD2 TYR B 152 19.999 11.514 -7.308 1.00 15.00 H new ATOM 0 HE1 TYR B 152 20.439 15.855 -9.573 1.00 15.00 H new ATOM 0 HE2 TYR B 152 19.074 11.818 -9.561 1.00 15.00 H new ATOM 0 HH TYR B 152 18.756 13.199 -11.261 1.00 15.00 H new TER 2205 TYR B 152