USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1101 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: C 43 LYS NZ :NH3+ -142:sc= 1.93 (180deg=0.968) USER MOD Set 1.2: C 54 SER OG : rot 171:sc=-0.00193 USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 7 HIS : no HD1:sc= -0.0384 X(o=-0.038,f=0) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -154:sc= -1.05 (180deg=-2.11) USER MOD Single : A -1 GLY N :NH3+ -134:sc= 0.0212 (180deg=0) USER MOD Single : A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 14 HIS : no HD1:sc= -4.27 X(o=-4.3,f=-4.5!) USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.151 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -106:sc= 1.15 USER MOD Single : C 2 MET CE :methyl -139:sc= -0.336 (180deg=-1.93!) USER MOD Single : C 4 HIS : no HD1:sc= 0 X(o=0,f=-0.007) USER MOD Single : C 5 HIS : no HD1:sc=-0.00241 X(o=-0.0024,f=-0.0024) USER MOD Single : C 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : C 8 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.094) USER MOD Single : C 9 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.0021) USER MOD Single : C 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 16 MET CE :methyl -162:sc= -0.171 (180deg=-0.725) USER MOD Single : C 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 23 THR OG1 : rot 180:sc= 0 USER MOD Single : C 26 SER OG : rot -49:sc= 0.175 USER MOD Single : C 27 GLN : amide:sc= -0.176 K(o=-0.18,f=-0.96) USER MOD Single : C 28 THR OG1 : rot 180:sc= -1.98! USER MOD Single : C 30 THR OG1 : rot 180:sc= 0.0365 USER MOD Single : C 36 GLN : amide:sc= -2.33! K(o=-2.3!,f=-0.023) USER MOD Single : C 37 MET CE :methyl 157:sc= -0.152 (180deg=-0.778) USER MOD Single : C 38 ASN : amide:sc= -2.77! C(o=-2.8!,f=-4.5!) USER MOD Single : C 40 LYS NZ :NH3+ 169:sc= -0.0236 (180deg=-0.18) USER MOD Single : C 45 HIS : no HD1:sc= -0.0573 X(o=-0.057,f=-0.0063) USER MOD Single : C 49 SER OG : rot 66:sc= 1.17 USER MOD Single : C 51 SER OG : rot -5:sc= 1.06 USER MOD Single : C 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 57 GLN : amide:sc= -3.72! C(o=-3.7!,f=-7!) USER MOD Single : C 61 TYR OH : rot 180:sc= -0.135 USER MOD Single : C 62 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.26) USER MOD Single : C 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 71 LYS NZ :NH3+ 168:sc= -0.0123 (180deg=-0.155) USER MOD Single : C 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 75 TYR OH : rot 123:sc= 0.0652 USER MOD Single : C 76 ASN : amide:sc= -0.412 K(o=-0.41,f=-0.96) USER MOD Single : C 80 LYS NZ :NH3+ -166:sc= -0.0549 (180deg=-0.281) USER MOD Single : C 83 HIS : no HD1:sc= -0.0875 X(o=-0.087,f=0) USER MOD Single : C 91 GLN : amide:sc= -0.0378 X(o=-0.038,f=-0.023) USER MOD Single : C 92 THR OG1 : rot 180:sc= 0.0749 USER MOD Single : C 93 HIS : no HD1:sc= -0.0607 X(o=-0.061,f=-0.061) USER MOD Single : C 96 SER OG : rot -150:sc= 0 USER MOD Single : C 99 SER OG : rot 80:sc= 1.3 USER MOD Single : C 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -15.902 -23.818 25.527 1.00 0.00 N ATOM 2 CA GLY A -1 -14.631 -24.570 25.400 1.00 0.00 C ATOM 3 C GLY A -1 -13.506 -23.691 24.901 1.00 0.00 C ATOM 4 O GLY A -1 -13.459 -22.499 25.206 1.00 0.00 O ATOM 0 H1 GLY A -1 -16.347 -24.040 26.441 1.00 0.00 H new ATOM 0 H2 GLY A -1 -15.708 -22.798 25.475 1.00 0.00 H new ATOM 0 H3 GLY A -1 -16.544 -24.088 24.755 1.00 0.00 H new ATOM 0 HA2 GLY A -1 -14.360 -24.992 26.368 1.00 0.00 H new ATOM 0 HA3 GLY A -1 -14.770 -25.406 24.715 1.00 0.00 H new ATOM 10 N SER A 0 -12.602 -24.272 24.132 1.00 0.00 N ATOM 11 CA SER A 0 -11.493 -23.527 23.566 1.00 0.00 C ATOM 12 C SER A 0 -11.892 -22.922 22.225 1.00 0.00 C ATOM 13 O SER A 0 -12.023 -23.629 21.226 1.00 0.00 O ATOM 14 CB SER A 0 -10.281 -24.441 23.392 1.00 0.00 C ATOM 15 OG SER A 0 -9.910 -25.032 24.628 1.00 0.00 O ATOM 0 H SER A 0 -12.615 -25.262 23.885 1.00 0.00 H new ATOM 0 HA SER A 0 -11.230 -22.719 24.248 1.00 0.00 H new ATOM 0 HB2 SER A 0 -10.510 -25.221 22.666 1.00 0.00 H new ATOM 0 HB3 SER A 0 -9.444 -23.869 22.992 1.00 0.00 H new ATOM 0 HG SER A 0 -9.133 -25.614 24.492 1.00 0.00 H new ATOM 21 N MET A 1 -12.100 -21.612 22.221 1.00 0.00 N ATOM 22 CA MET A 1 -12.452 -20.892 21.006 1.00 0.00 C ATOM 23 C MET A 1 -11.281 -20.959 20.032 1.00 0.00 C ATOM 24 O MET A 1 -11.467 -21.258 18.849 1.00 0.00 O ATOM 25 CB MET A 1 -12.806 -19.438 21.346 1.00 0.00 C ATOM 26 CG MET A 1 -13.535 -18.692 20.238 1.00 0.00 C ATOM 27 SD MET A 1 -12.455 -18.176 18.891 1.00 0.00 S ATOM 28 CE MET A 1 -13.647 -17.428 17.785 1.00 0.00 C ATOM 0 H MET A 1 -12.030 -21.024 23.051 1.00 0.00 H new ATOM 0 HA MET A 1 -13.324 -21.350 20.539 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.426 -19.428 22.243 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.889 -18.900 21.587 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.323 -19.330 19.838 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.021 -17.813 20.661 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.274 -17.476 16.762 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.593 -17.965 17.852 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.801 -16.386 18.066 1.00 0.00 H new ATOM 38 N ALA A 2 -10.082 -20.702 20.555 1.00 0.00 N ATOM 39 CA ALA A 2 -8.832 -20.858 19.810 1.00 0.00 C ATOM 40 C ALA A 2 -8.776 -19.963 18.576 1.00 0.00 C ATOM 41 O ALA A 2 -9.172 -20.372 17.480 1.00 0.00 O ATOM 42 CB ALA A 2 -8.613 -22.317 19.427 1.00 0.00 C ATOM 0 H ALA A 2 -9.950 -20.378 21.513 1.00 0.00 H new ATOM 0 HA ALA A 2 -8.025 -20.542 20.471 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.679 -22.412 18.874 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -8.564 -22.927 20.329 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -9.440 -22.658 18.804 1.00 0.00 H new ATOM 48 N GLU A 3 -8.261 -18.750 18.777 1.00 0.00 N ATOM 49 CA GLU A 3 -8.068 -17.772 17.708 1.00 0.00 C ATOM 50 C GLU A 3 -9.388 -17.178 17.238 1.00 0.00 C ATOM 51 O GLU A 3 -10.164 -17.823 16.533 1.00 0.00 O ATOM 52 CB GLU A 3 -7.303 -18.377 16.528 1.00 0.00 C ATOM 53 CG GLU A 3 -5.862 -18.724 16.858 1.00 0.00 C ATOM 54 CD GLU A 3 -5.059 -17.506 17.261 1.00 0.00 C ATOM 55 OE1 GLU A 3 -5.053 -17.162 18.460 1.00 0.00 O ATOM 56 OE2 GLU A 3 -4.438 -16.883 16.375 1.00 0.00 O ATOM 0 H GLU A 3 -7.964 -18.417 19.694 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.468 -16.963 18.126 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -7.818 -19.277 16.194 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.318 -17.673 15.696 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.842 -19.454 17.667 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.396 -19.194 15.992 1.00 0.00 H new ATOM 63 N ALA A 4 -9.633 -15.939 17.639 1.00 0.00 N ATOM 64 CA ALA A 4 -10.824 -15.223 17.217 1.00 0.00 C ATOM 65 C ALA A 4 -10.749 -14.912 15.729 1.00 0.00 C ATOM 66 O ALA A 4 -9.942 -14.083 15.302 1.00 0.00 O ATOM 67 CB ALA A 4 -10.992 -13.948 18.027 1.00 0.00 C ATOM 0 H ALA A 4 -9.020 -15.409 18.258 1.00 0.00 H new ATOM 0 HA ALA A 4 -11.695 -15.854 17.394 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -11.889 -13.424 17.698 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -11.085 -14.198 19.084 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -10.123 -13.307 17.881 1.00 0.00 H new ATOM 73 N SER A 5 -11.575 -15.604 14.951 1.00 0.00 N ATOM 74 CA SER A 5 -11.590 -15.466 13.497 1.00 0.00 C ATOM 75 C SER A 5 -10.241 -15.877 12.894 1.00 0.00 C ATOM 76 O SER A 5 -9.445 -15.033 12.479 1.00 0.00 O ATOM 77 CB SER A 5 -11.952 -14.027 13.094 1.00 0.00 C ATOM 78 OG SER A 5 -12.020 -13.886 11.684 1.00 0.00 O ATOM 0 H SER A 5 -12.253 -16.276 15.310 1.00 0.00 H new ATOM 0 HA SER A 5 -12.353 -16.135 13.100 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.911 -13.754 13.535 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.209 -13.337 13.495 1.00 0.00 H new ATOM 0 HG SER A 5 -12.253 -12.961 11.459 1.00 0.00 H new ATOM 84 N PRO A 6 -9.963 -17.191 12.832 1.00 0.00 N ATOM 85 CA PRO A 6 -8.726 -17.716 12.267 1.00 0.00 C ATOM 86 C PRO A 6 -8.822 -17.872 10.754 1.00 0.00 C ATOM 87 O PRO A 6 -8.556 -18.943 10.206 1.00 0.00 O ATOM 88 CB PRO A 6 -8.572 -19.088 12.938 1.00 0.00 C ATOM 89 CG PRO A 6 -9.839 -19.339 13.701 1.00 0.00 C ATOM 90 CD PRO A 6 -10.824 -18.275 13.301 1.00 0.00 C ATOM 0 HA PRO A 6 -7.879 -17.052 12.442 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.408 -19.867 12.193 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.710 -19.098 13.605 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -10.232 -20.330 13.476 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.653 -19.306 14.775 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.498 -18.623 12.518 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.445 -17.963 14.141 1.00 0.00 H new ATOM 98 N HIS A 7 -9.219 -16.798 10.088 1.00 0.00 N ATOM 99 CA HIS A 7 -9.417 -16.808 8.645 1.00 0.00 C ATOM 100 C HIS A 7 -9.451 -15.372 8.133 1.00 0.00 C ATOM 101 O HIS A 7 -9.766 -14.456 8.893 1.00 0.00 O ATOM 102 CB HIS A 7 -10.722 -17.544 8.281 1.00 0.00 C ATOM 103 CG HIS A 7 -11.982 -16.893 8.783 1.00 0.00 C ATOM 104 ND1 HIS A 7 -12.987 -16.452 7.949 1.00 0.00 N ATOM 105 CD2 HIS A 7 -12.405 -16.629 10.042 1.00 0.00 C ATOM 106 CE1 HIS A 7 -13.969 -15.945 8.672 1.00 0.00 C ATOM 107 NE2 HIS A 7 -13.640 -16.041 9.945 1.00 0.00 N ATOM 0 H HIS A 7 -9.412 -15.899 10.529 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.591 -17.339 8.173 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.783 -17.629 7.196 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.672 -18.558 8.678 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.868 -16.842 10.955 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -14.885 -15.524 8.286 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -14.211 -15.729 10.730 1.00 0.00 H new ATOM 116 N PRO A 8 -9.135 -15.151 6.847 1.00 0.00 N ATOM 117 CA PRO A 8 -9.131 -13.844 6.264 1.00 0.00 C ATOM 118 C PRO A 8 -10.530 -13.336 5.945 1.00 0.00 C ATOM 119 O PRO A 8 -10.930 -13.233 4.784 1.00 0.00 O ATOM 120 CB PRO A 8 -8.287 -13.985 5.025 1.00 0.00 C ATOM 121 CG PRO A 8 -8.457 -15.395 4.609 1.00 0.00 C ATOM 122 CD PRO A 8 -8.813 -16.160 5.859 1.00 0.00 C ATOM 0 HA PRO A 8 -8.732 -13.101 6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.615 -13.300 4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.241 -13.757 5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.242 -15.488 3.858 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.541 -15.783 4.162 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.659 -16.825 5.686 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.981 -16.782 6.189 1.00 0.00 H new ATOM 130 N GLY A 9 -11.272 -13.021 6.996 1.00 0.00 N ATOM 131 CA GLY A 9 -12.643 -12.599 6.837 1.00 0.00 C ATOM 132 C GLY A 9 -12.856 -11.154 7.232 1.00 0.00 C ATOM 133 O GLY A 9 -13.991 -10.692 7.311 1.00 0.00 O ATOM 0 H GLY A 9 -10.944 -13.051 7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -12.943 -12.736 5.798 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -13.288 -13.236 7.442 1.00 0.00 H new ATOM 137 N ARG A 10 -11.771 -10.437 7.492 1.00 0.00 N ATOM 138 CA ARG A 10 -11.874 -9.037 7.878 1.00 0.00 C ATOM 139 C ARG A 10 -11.108 -8.150 6.907 1.00 0.00 C ATOM 140 O ARG A 10 -9.941 -7.835 7.134 1.00 0.00 O ATOM 141 CB ARG A 10 -11.336 -8.802 9.293 1.00 0.00 C ATOM 142 CG ARG A 10 -11.905 -9.736 10.350 1.00 0.00 C ATOM 143 CD ARG A 10 -11.530 -9.277 11.752 1.00 0.00 C ATOM 144 NE ARG A 10 -10.139 -8.822 11.840 1.00 0.00 N ATOM 145 CZ ARG A 10 -9.480 -8.653 12.986 1.00 0.00 C ATOM 146 NH1 ARG A 10 -10.050 -8.971 14.144 1.00 0.00 N ATOM 147 NH2 ARG A 10 -8.250 -8.163 12.970 1.00 0.00 N ATOM 0 H ARG A 10 -10.818 -10.798 7.443 1.00 0.00 H new ATOM 0 HA ARG A 10 -12.933 -8.779 7.855 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -10.251 -8.910 9.278 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.550 -7.773 9.583 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -12.990 -9.777 10.256 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -11.532 -10.747 10.184 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.194 -8.467 12.056 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.686 -10.097 12.453 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.645 -8.622 10.970 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.998 -9.347 14.160 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.539 -8.839 15.017 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.811 -7.917 12.083 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.742 -8.032 13.845 1.00 0.00 H new ATOM 161 N TYR A 11 -11.750 -7.766 5.818 1.00 0.00 N ATOM 162 CA TYR A 11 -11.184 -6.770 4.923 1.00 0.00 C ATOM 163 C TYR A 11 -12.083 -5.564 4.868 1.00 0.00 C ATOM 164 O TYR A 11 -13.249 -5.618 5.252 1.00 0.00 O ATOM 165 CB TYR A 11 -10.994 -7.287 3.497 1.00 0.00 C ATOM 166 CG TYR A 11 -9.847 -8.210 3.302 1.00 0.00 C ATOM 167 CD1 TYR A 11 -9.773 -9.393 4.005 1.00 0.00 C ATOM 168 CD2 TYR A 11 -8.853 -7.904 2.392 1.00 0.00 C ATOM 169 CE1 TYR A 11 -8.722 -10.253 3.821 1.00 0.00 C ATOM 170 CE2 TYR A 11 -7.795 -8.761 2.195 1.00 0.00 C ATOM 171 CZ TYR A 11 -7.731 -9.939 2.912 1.00 0.00 C ATOM 172 OH TYR A 11 -6.673 -10.800 2.723 1.00 0.00 O ATOM 0 H TYR A 11 -12.660 -8.127 5.532 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.203 -6.517 5.325 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.906 -7.798 3.189 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.868 -6.432 2.832 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -10.552 -9.645 4.709 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -8.907 -6.983 1.830 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -8.669 -11.173 4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.020 -8.514 1.485 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.966 -11.720 2.891 1.00 0.00 H new ATOM 182 N PHE A 12 -11.543 -4.500 4.347 1.00 0.00 N ATOM 183 CA PHE A 12 -12.279 -3.264 4.203 1.00 0.00 C ATOM 184 C PHE A 12 -11.933 -2.621 2.874 1.00 0.00 C ATOM 185 O PHE A 12 -10.786 -2.245 2.628 1.00 0.00 O ATOM 186 CB PHE A 12 -11.991 -2.291 5.351 1.00 0.00 C ATOM 187 CG PHE A 12 -12.911 -1.100 5.378 1.00 0.00 C ATOM 188 CD1 PHE A 12 -14.134 -1.171 6.028 1.00 0.00 C ATOM 189 CD2 PHE A 12 -12.561 0.086 4.750 1.00 0.00 C ATOM 190 CE1 PHE A 12 -14.991 -0.086 6.049 1.00 0.00 C ATOM 191 CE2 PHE A 12 -13.412 1.176 4.770 1.00 0.00 C ATOM 192 CZ PHE A 12 -14.629 1.091 5.419 1.00 0.00 C ATOM 0 H PHE A 12 -10.582 -4.458 4.009 1.00 0.00 H new ATOM 0 HA PHE A 12 -13.343 -3.499 4.235 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.074 -2.825 6.298 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.961 -1.942 5.271 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.421 -2.086 6.525 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -11.612 0.159 4.239 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.942 -0.157 6.557 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -13.125 2.094 4.278 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.295 1.941 5.434 1.00 0.00 H new ATOM 202 N CYS A 13 -12.915 -2.528 2.004 1.00 0.00 N ATOM 203 CA CYS A 13 -12.735 -1.832 0.753 1.00 0.00 C ATOM 204 C CYS A 13 -13.193 -0.404 0.916 1.00 0.00 C ATOM 205 O CYS A 13 -14.385 -0.126 1.049 1.00 0.00 O ATOM 206 CB CYS A 13 -13.471 -2.544 -0.377 1.00 0.00 C ATOM 207 SG CYS A 13 -14.084 -1.489 -1.715 1.00 0.00 S ATOM 0 H CYS A 13 -13.844 -2.926 2.141 1.00 0.00 H new ATOM 0 HA CYS A 13 -11.679 -1.829 0.482 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -12.802 -3.289 -0.807 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.317 -3.083 0.050 1.00 0.00 H new ATOM 212 N HIS A 14 -12.225 0.494 0.940 1.00 0.00 N ATOM 213 CA HIS A 14 -12.481 1.901 1.164 1.00 0.00 C ATOM 214 C HIS A 14 -13.303 2.511 0.032 1.00 0.00 C ATOM 215 O HIS A 14 -13.854 3.597 0.177 1.00 0.00 O ATOM 216 CB HIS A 14 -11.158 2.648 1.350 1.00 0.00 C ATOM 217 CG HIS A 14 -10.159 2.456 0.247 1.00 0.00 C ATOM 218 ND1 HIS A 14 -9.973 3.365 -0.769 1.00 0.00 N ATOM 219 CD2 HIS A 14 -9.269 1.460 0.024 1.00 0.00 C ATOM 220 CE1 HIS A 14 -9.017 2.937 -1.570 1.00 0.00 C ATOM 221 NE2 HIS A 14 -8.569 1.783 -1.112 1.00 0.00 N ATOM 0 H HIS A 14 -11.240 0.266 0.805 1.00 0.00 H new ATOM 0 HA HIS A 14 -13.072 2.000 2.075 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -11.370 3.713 1.446 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -10.706 2.327 2.289 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -9.135 0.575 0.628 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -8.660 3.446 -2.453 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.826 1.224 -1.532 1.00 0.00 H new ATOM 230 N CYS A 15 -13.385 1.807 -1.090 1.00 0.00 N ATOM 231 CA CYS A 15 -14.218 2.240 -2.198 1.00 0.00 C ATOM 232 C CYS A 15 -15.701 2.048 -1.861 1.00 0.00 C ATOM 233 O CYS A 15 -16.542 2.868 -2.224 1.00 0.00 O ATOM 234 CB CYS A 15 -13.851 1.494 -3.454 1.00 0.00 C ATOM 235 SG CYS A 15 -14.345 2.313 -4.988 1.00 0.00 S ATOM 0 H CYS A 15 -12.884 0.934 -1.254 1.00 0.00 H new ATOM 0 HA CYS A 15 -14.044 3.302 -2.370 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -12.772 1.344 -3.469 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -14.310 0.506 -3.421 1.00 0.00 H new ATOM 0 HG CYS A 15 -13.980 1.589 -6.004 1.00 0.00 H new ATOM 241 N CYS A 16 -16.008 0.963 -1.148 1.00 0.00 N ATOM 242 CA CYS A 16 -17.376 0.701 -0.694 1.00 0.00 C ATOM 243 C CYS A 16 -17.625 1.352 0.671 1.00 0.00 C ATOM 244 O CYS A 16 -18.762 1.653 1.042 1.00 0.00 O ATOM 245 CB CYS A 16 -17.645 -0.809 -0.583 1.00 0.00 C ATOM 246 SG CYS A 16 -17.816 -1.693 -2.151 1.00 0.00 S ATOM 0 H CYS A 16 -15.330 0.253 -0.873 1.00 0.00 H new ATOM 0 HA CYS A 16 -18.052 1.130 -1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -16.831 -1.264 -0.018 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -18.556 -0.955 -0.003 1.00 0.00 H new ATOM 251 N SER A 17 -16.527 1.569 1.397 1.00 0.00 N ATOM 252 CA SER A 17 -16.538 2.078 2.774 1.00 0.00 C ATOM 253 C SER A 17 -17.327 1.153 3.701 1.00 0.00 C ATOM 254 O SER A 17 -17.919 1.596 4.685 1.00 0.00 O ATOM 255 CB SER A 17 -17.090 3.501 2.863 1.00 0.00 C ATOM 256 OG SER A 17 -17.196 4.108 1.583 1.00 0.00 O ATOM 0 H SER A 17 -15.588 1.394 1.040 1.00 0.00 H new ATOM 0 HA SER A 17 -15.498 2.103 3.101 1.00 0.00 H new ATOM 0 HB2 SER A 17 -18.071 3.481 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 17 -16.441 4.103 3.498 1.00 0.00 H new ATOM 0 HG SER A 17 -17.554 5.015 1.680 1.00 0.00 H new ATOM 262 N VAL A 18 -17.316 -0.131 3.380 1.00 0.00 N ATOM 263 CA VAL A 18 -17.936 -1.150 4.214 1.00 0.00 C ATOM 264 C VAL A 18 -17.038 -2.371 4.282 1.00 0.00 C ATOM 265 O VAL A 18 -16.136 -2.534 3.452 1.00 0.00 O ATOM 266 CB VAL A 18 -19.324 -1.581 3.697 1.00 0.00 C ATOM 267 CG1 VAL A 18 -20.388 -0.572 4.088 1.00 0.00 C ATOM 268 CG2 VAL A 18 -19.302 -1.763 2.194 1.00 0.00 C ATOM 0 H VAL A 18 -16.878 -0.497 2.535 1.00 0.00 H new ATOM 0 HA VAL A 18 -18.071 -0.710 5.202 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.571 -2.536 4.160 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.357 -0.900 3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -20.430 -0.490 5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.143 0.400 3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.291 -2.067 1.850 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -19.025 -0.822 1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -18.574 -2.531 1.931 1.00 0.00 H new ATOM 278 N GLU A 19 -17.288 -3.223 5.259 1.00 0.00 N ATOM 279 CA GLU A 19 -16.441 -4.373 5.494 1.00 0.00 C ATOM 280 C GLU A 19 -16.827 -5.529 4.584 1.00 0.00 C ATOM 281 O GLU A 19 -18.004 -5.731 4.279 1.00 0.00 O ATOM 282 CB GLU A 19 -16.517 -4.793 6.941 1.00 0.00 C ATOM 283 CG GLU A 19 -15.361 -5.633 7.371 1.00 0.00 C ATOM 284 CD GLU A 19 -15.319 -5.838 8.870 1.00 0.00 C ATOM 285 OE1 GLU A 19 -15.135 -4.846 9.605 1.00 0.00 O ATOM 286 OE2 GLU A 19 -15.494 -6.986 9.326 1.00 0.00 O ATOM 0 H GLU A 19 -18.074 -3.138 5.903 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.413 -4.091 5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -16.565 -3.903 7.569 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.441 -5.348 7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -15.417 -6.603 6.876 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.433 -5.162 7.046 1.00 0.00 H new ATOM 293 N ILE A 20 -15.829 -6.291 4.163 1.00 0.00 N ATOM 294 CA ILE A 20 -16.018 -7.321 3.151 1.00 0.00 C ATOM 295 C ILE A 20 -15.275 -8.602 3.525 1.00 0.00 C ATOM 296 O ILE A 20 -14.454 -8.617 4.447 1.00 0.00 O ATOM 297 CB ILE A 20 -15.464 -6.870 1.784 1.00 0.00 C ATOM 298 CG1 ILE A 20 -13.964 -7.097 1.786 1.00 0.00 C ATOM 299 CG2 ILE A 20 -15.761 -5.406 1.545 1.00 0.00 C ATOM 300 CD1 ILE A 20 -13.337 -7.183 0.434 1.00 0.00 C ATOM 0 H ILE A 20 -14.873 -6.215 4.509 1.00 0.00 H new ATOM 0 HA ILE A 20 -17.092 -7.498 3.092 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.937 -7.444 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.490 -6.286 2.339 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.752 -8.019 2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -15.362 -5.107 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -16.839 -5.247 1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -15.296 -4.808 2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -12.264 -7.346 0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -13.777 -8.013 -0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -13.511 -6.253 -0.108 1.00 0.00 H new ATOM 312 N VAL A 21 -15.577 -9.664 2.797 1.00 0.00 N ATOM 313 CA VAL A 21 -14.735 -10.838 2.754 1.00 0.00 C ATOM 314 C VAL A 21 -14.399 -11.127 1.301 1.00 0.00 C ATOM 315 O VAL A 21 -15.210 -11.660 0.543 1.00 0.00 O ATOM 316 CB VAL A 21 -15.401 -12.070 3.394 1.00 0.00 C ATOM 317 CG1 VAL A 21 -14.447 -13.255 3.404 1.00 0.00 C ATOM 318 CG2 VAL A 21 -15.891 -11.752 4.798 1.00 0.00 C ATOM 0 H VAL A 21 -16.415 -9.732 2.220 1.00 0.00 H new ATOM 0 HA VAL A 21 -13.834 -10.636 3.334 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.267 -12.341 2.790 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -14.939 -14.114 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.162 -13.501 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -13.556 -13.000 3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -16.358 -12.637 5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.047 -11.448 5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -16.620 -10.942 4.754 1.00 0.00 H new ATOM 328 N PRO A 22 -13.203 -10.704 0.909 1.00 0.00 N ATOM 329 CA PRO A 22 -12.703 -10.734 -0.470 1.00 0.00 C ATOM 330 C PRO A 22 -12.722 -12.085 -1.162 1.00 0.00 C ATOM 331 O PRO A 22 -13.005 -13.128 -0.575 1.00 0.00 O ATOM 332 CB PRO A 22 -11.247 -10.293 -0.309 1.00 0.00 C ATOM 333 CG PRO A 22 -10.980 -10.440 1.143 1.00 0.00 C ATOM 334 CD PRO A 22 -12.208 -10.100 1.793 1.00 0.00 C ATOM 0 HA PRO A 22 -13.342 -10.114 -1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.575 -10.913 -0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -11.104 -9.264 -0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.677 -11.458 1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -10.172 -9.782 1.462 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.260 -10.507 2.803 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.339 -9.021 1.877 1.00 0.00 H new ATOM 342 N ARG A 23 -12.353 -12.018 -2.429 1.00 0.00 N ATOM 343 CA ARG A 23 -12.218 -13.143 -3.295 1.00 0.00 C ATOM 344 C ARG A 23 -10.725 -13.334 -3.544 1.00 0.00 C ATOM 345 O ARG A 23 -10.238 -13.337 -4.674 1.00 0.00 O ATOM 346 CB ARG A 23 -13.016 -12.869 -4.559 1.00 0.00 C ATOM 347 CG ARG A 23 -14.518 -13.025 -4.392 1.00 0.00 C ATOM 348 CD ARG A 23 -15.259 -11.943 -5.137 1.00 0.00 C ATOM 349 NE ARG A 23 -16.710 -12.037 -4.982 1.00 0.00 N ATOM 350 CZ ARG A 23 -17.584 -11.276 -5.646 1.00 0.00 C ATOM 351 NH1 ARG A 23 -17.154 -10.362 -6.507 1.00 0.00 N ATOM 352 NH2 ARG A 23 -18.887 -11.427 -5.444 1.00 0.00 N ATOM 0 H ARG A 23 -12.133 -11.134 -2.888 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.611 -14.067 -2.871 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.803 -11.855 -4.898 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.677 -13.545 -5.344 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.829 -14.003 -4.759 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.776 -12.985 -3.334 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.923 -10.969 -4.782 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.007 -12.000 -6.196 1.00 0.00 H new ATOM 0 HE ARG A 23 -17.077 -12.726 -4.326 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.154 -10.239 -6.663 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.824 -9.782 -7.013 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -19.223 -12.125 -4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.553 -10.845 -5.952 1.00 0.00 H new ATOM 366 N LEU A 24 -10.042 -13.320 -2.399 1.00 0.00 N ATOM 367 CA LEU A 24 -8.600 -13.613 -2.190 1.00 0.00 C ATOM 368 C LEU A 24 -7.753 -13.910 -3.436 1.00 0.00 C ATOM 369 O LEU A 24 -6.773 -13.202 -3.641 1.00 0.00 O ATOM 370 CB LEU A 24 -8.442 -14.750 -1.163 1.00 0.00 C ATOM 371 CG LEU A 24 -8.025 -14.340 0.255 1.00 0.00 C ATOM 372 CD1 LEU A 24 -6.576 -13.886 0.276 1.00 0.00 C ATOM 373 CD2 LEU A 24 -8.930 -13.245 0.798 1.00 0.00 C ATOM 0 H LEU A 24 -10.505 -13.088 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.194 -12.670 -1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.389 -15.285 -1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.703 -15.455 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.126 -15.214 0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.299 -13.599 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.934 -14.701 -0.059 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.453 -13.031 -0.389 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.611 -12.975 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.871 -12.370 0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.959 -13.605 0.828 1.00 0.00 H new ATOM 385 N PRO A 25 -8.035 -14.977 -4.234 1.00 0.00 N ATOM 386 CA PRO A 25 -7.306 -15.266 -5.468 1.00 0.00 C ATOM 387 C PRO A 25 -6.854 -14.023 -6.243 1.00 0.00 C ATOM 388 O PRO A 25 -5.789 -14.014 -6.858 1.00 0.00 O ATOM 389 CB PRO A 25 -8.317 -16.057 -6.268 1.00 0.00 C ATOM 390 CG PRO A 25 -9.026 -16.864 -5.242 1.00 0.00 C ATOM 391 CD PRO A 25 -9.042 -16.025 -3.986 1.00 0.00 C ATOM 0 HA PRO A 25 -6.371 -15.787 -5.264 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.002 -15.402 -6.806 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.832 -16.691 -7.011 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.040 -17.101 -5.565 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.516 -17.812 -5.071 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -10.028 -15.595 -3.808 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -8.790 -16.619 -3.108 1.00 0.00 H new ATOM 399 N ASP A 26 -7.667 -12.980 -6.194 1.00 0.00 N ATOM 400 CA ASP A 26 -7.373 -11.732 -6.883 1.00 0.00 C ATOM 401 C ASP A 26 -7.151 -10.582 -5.908 1.00 0.00 C ATOM 402 O ASP A 26 -6.532 -9.571 -6.250 1.00 0.00 O ATOM 403 CB ASP A 26 -8.550 -11.374 -7.755 1.00 0.00 C ATOM 404 CG ASP A 26 -8.239 -11.402 -9.237 1.00 0.00 C ATOM 405 OD1 ASP A 26 -8.165 -12.504 -9.817 1.00 0.00 O ATOM 406 OD2 ASP A 26 -8.081 -10.315 -9.832 1.00 0.00 O ATOM 0 H ASP A 26 -8.547 -12.973 -5.678 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.463 -11.878 -7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -9.366 -12.067 -7.551 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.902 -10.378 -7.485 1.00 0.00 H new ATOM 411 N TYR A 27 -7.685 -10.755 -4.700 1.00 0.00 N ATOM 412 CA TYR A 27 -7.795 -9.680 -3.710 1.00 0.00 C ATOM 413 C TYR A 27 -8.744 -8.619 -4.211 1.00 0.00 C ATOM 414 O TYR A 27 -8.399 -7.447 -4.354 1.00 0.00 O ATOM 415 CB TYR A 27 -6.458 -9.059 -3.339 1.00 0.00 C ATOM 416 CG TYR A 27 -5.596 -9.978 -2.523 1.00 0.00 C ATOM 417 CD1 TYR A 27 -5.834 -10.138 -1.169 1.00 0.00 C ATOM 418 CD2 TYR A 27 -4.555 -10.685 -3.096 1.00 0.00 C ATOM 419 CE1 TYR A 27 -5.058 -10.976 -0.405 1.00 0.00 C ATOM 420 CE2 TYR A 27 -3.770 -11.530 -2.340 1.00 0.00 C ATOM 421 CZ TYR A 27 -4.021 -11.671 -0.994 1.00 0.00 C ATOM 422 OH TYR A 27 -3.234 -12.514 -0.240 1.00 0.00 O ATOM 0 H TYR A 27 -8.056 -11.649 -4.377 1.00 0.00 H new ATOM 0 HA TYR A 27 -8.184 -10.132 -2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -5.926 -8.782 -4.249 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -6.632 -8.140 -2.780 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.644 -9.595 -0.705 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.354 -10.574 -4.151 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -5.258 -11.090 0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -2.962 -12.078 -2.802 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.552 -12.924 -0.812 1.00 0.00 H new ATOM 432 N ILE A 28 -9.937 -9.074 -4.482 1.00 0.00 N ATOM 433 CA ILE A 28 -11.030 -8.228 -4.902 1.00 0.00 C ATOM 434 C ILE A 28 -12.049 -8.132 -3.793 1.00 0.00 C ATOM 435 O ILE A 28 -12.088 -8.969 -2.894 1.00 0.00 O ATOM 436 CB ILE A 28 -11.742 -8.781 -6.147 1.00 0.00 C ATOM 437 CG1 ILE A 28 -11.464 -10.271 -6.248 1.00 0.00 C ATOM 438 CG2 ILE A 28 -11.301 -8.040 -7.394 1.00 0.00 C ATOM 439 CD1 ILE A 28 -12.447 -11.049 -7.081 1.00 0.00 C ATOM 0 H ILE A 28 -10.185 -10.061 -4.417 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.607 -7.252 -5.141 1.00 0.00 H new ATOM 0 HB ILE A 28 -12.818 -8.629 -6.056 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.467 -10.411 -6.665 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.451 -10.691 -5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.818 -8.449 -8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.542 -6.982 -7.293 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.225 -8.156 -7.525 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.163 -12.101 -7.091 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.445 -10.947 -6.655 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -12.446 -10.663 -8.100 1.00 0.00 H new ATOM 451 N CYS A 29 -12.895 -7.147 -3.899 1.00 0.00 N ATOM 452 CA CYS A 29 -13.955 -6.937 -2.947 1.00 0.00 C ATOM 453 C CYS A 29 -15.213 -7.584 -3.506 1.00 0.00 C ATOM 454 O CYS A 29 -15.404 -7.634 -4.706 1.00 0.00 O ATOM 455 CB CYS A 29 -14.103 -5.421 -2.763 1.00 0.00 C ATOM 456 SG CYS A 29 -15.678 -4.812 -2.116 1.00 0.00 S ATOM 0 H CYS A 29 -12.871 -6.461 -4.653 1.00 0.00 H new ATOM 0 HA CYS A 29 -13.754 -7.384 -1.973 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -13.311 -5.084 -2.094 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -13.929 -4.946 -3.728 1.00 0.00 H new ATOM 461 N PRO A 30 -16.066 -8.127 -2.650 1.00 0.00 N ATOM 462 CA PRO A 30 -17.245 -8.859 -3.078 1.00 0.00 C ATOM 463 C PRO A 30 -18.346 -7.880 -3.365 1.00 0.00 C ATOM 464 O PRO A 30 -19.311 -8.164 -4.070 1.00 0.00 O ATOM 465 CB PRO A 30 -17.583 -9.701 -1.852 1.00 0.00 C ATOM 466 CG PRO A 30 -17.135 -8.869 -0.695 1.00 0.00 C ATOM 467 CD PRO A 30 -15.996 -8.011 -1.199 1.00 0.00 C ATOM 0 HA PRO A 30 -17.103 -9.458 -3.978 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -18.651 -9.914 -1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -17.067 -10.661 -1.875 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -17.952 -8.250 -0.323 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.809 -9.499 0.133 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.107 -6.975 -0.878 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.037 -8.362 -0.819 1.00 0.00 H new ATOM 475 N ARG A 31 -18.166 -6.710 -2.786 1.00 0.00 N ATOM 476 CA ARG A 31 -19.143 -5.653 -2.902 1.00 0.00 C ATOM 477 C ARG A 31 -18.978 -4.786 -4.146 1.00 0.00 C ATOM 478 O ARG A 31 -19.873 -4.019 -4.490 1.00 0.00 O ATOM 479 CB ARG A 31 -19.143 -4.844 -1.660 1.00 0.00 C ATOM 480 CG ARG A 31 -19.624 -5.700 -0.536 1.00 0.00 C ATOM 481 CD ARG A 31 -19.745 -4.949 0.773 1.00 0.00 C ATOM 482 NE ARG A 31 -20.133 -5.828 1.874 1.00 0.00 N ATOM 483 CZ ARG A 31 -20.986 -5.486 2.840 1.00 0.00 C ATOM 484 NH1 ARG A 31 -21.596 -4.306 2.813 1.00 0.00 N ATOM 485 NH2 ARG A 31 -21.240 -6.338 3.825 1.00 0.00 N ATOM 0 H ARG A 31 -17.347 -6.469 -2.228 1.00 0.00 H new ATOM 0 HA ARG A 31 -20.116 -6.127 -3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -18.140 -4.472 -1.450 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -19.788 -3.973 -1.775 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -20.595 -6.121 -0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -18.938 -6.537 -0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.793 -4.473 1.007 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.482 -4.153 0.668 1.00 0.00 H new ATOM 0 HE ARG A 31 -19.725 -6.762 1.906 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -21.413 -3.655 2.050 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -22.247 -4.051 3.556 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.783 -7.250 3.841 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -21.892 -6.081 4.566 1.00 0.00 H new ATOM 499 N CYS A 32 -17.834 -4.891 -4.814 1.00 0.00 N ATOM 500 CA CYS A 32 -17.640 -4.163 -6.070 1.00 0.00 C ATOM 501 C CYS A 32 -16.651 -4.859 -7.010 1.00 0.00 C ATOM 502 O CYS A 32 -16.586 -4.538 -8.195 1.00 0.00 O ATOM 503 CB CYS A 32 -17.183 -2.725 -5.808 1.00 0.00 C ATOM 504 SG CYS A 32 -15.554 -2.579 -5.036 1.00 0.00 S ATOM 0 H CYS A 32 -17.040 -5.459 -4.518 1.00 0.00 H new ATOM 0 HA CYS A 32 -18.610 -4.148 -6.566 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -17.172 -2.184 -6.754 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -17.918 -2.235 -5.169 1.00 0.00 H new ATOM 509 N GLU A 33 -15.893 -5.819 -6.472 1.00 0.00 N ATOM 510 CA GLU A 33 -14.883 -6.560 -7.233 1.00 0.00 C ATOM 511 C GLU A 33 -13.772 -5.653 -7.749 1.00 0.00 C ATOM 512 O GLU A 33 -13.257 -5.843 -8.849 1.00 0.00 O ATOM 513 CB GLU A 33 -15.515 -7.361 -8.370 1.00 0.00 C ATOM 514 CG GLU A 33 -14.761 -8.647 -8.645 1.00 0.00 C ATOM 515 CD GLU A 33 -15.361 -9.467 -9.763 1.00 0.00 C ATOM 516 OE1 GLU A 33 -16.376 -10.145 -9.521 1.00 0.00 O ATOM 517 OE2 GLU A 33 -14.815 -9.448 -10.886 1.00 0.00 O ATOM 0 H GLU A 33 -15.963 -6.105 -5.495 1.00 0.00 H new ATOM 0 HA GLU A 33 -14.424 -7.267 -6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.550 -7.594 -8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -15.536 -6.753 -9.274 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.727 -8.407 -8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.738 -9.248 -7.736 1.00 0.00 H new ATOM 524 N SER A 34 -13.406 -4.666 -6.950 1.00 0.00 N ATOM 525 CA SER A 34 -12.185 -3.918 -7.187 1.00 0.00 C ATOM 526 C SER A 34 -11.174 -4.306 -6.115 1.00 0.00 C ATOM 527 O SER A 34 -11.562 -4.734 -5.023 1.00 0.00 O ATOM 528 CB SER A 34 -12.451 -2.410 -7.162 1.00 0.00 C ATOM 529 OG SER A 34 -12.882 -1.983 -5.883 1.00 0.00 O ATOM 0 H SER A 34 -13.936 -4.365 -6.133 1.00 0.00 H new ATOM 0 HA SER A 34 -11.792 -4.158 -8.175 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.543 -1.874 -7.439 1.00 0.00 H new ATOM 0 HB3 SER A 34 -13.208 -2.160 -7.905 1.00 0.00 H new ATOM 0 HG SER A 34 -13.844 -1.796 -5.908 1.00 0.00 H new ATOM 535 N GLY A 35 -9.892 -4.174 -6.418 1.00 0.00 N ATOM 536 CA GLY A 35 -8.866 -4.588 -5.480 1.00 0.00 C ATOM 537 C GLY A 35 -8.493 -3.496 -4.498 1.00 0.00 C ATOM 538 O GLY A 35 -7.339 -3.391 -4.081 1.00 0.00 O ATOM 0 H GLY A 35 -9.542 -3.788 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.215 -5.462 -4.929 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.977 -4.893 -6.032 1.00 0.00 H new ATOM 542 N PHE A 36 -9.468 -2.682 -4.121 1.00 0.00 N ATOM 543 CA PHE A 36 -9.238 -1.599 -3.174 1.00 0.00 C ATOM 544 C PHE A 36 -9.566 -2.036 -1.754 1.00 0.00 C ATOM 545 O PHE A 36 -10.255 -1.326 -1.016 1.00 0.00 O ATOM 546 CB PHE A 36 -10.067 -0.373 -3.546 1.00 0.00 C ATOM 547 CG PHE A 36 -9.516 0.382 -4.715 1.00 0.00 C ATOM 548 CD1 PHE A 36 -8.489 1.290 -4.536 1.00 0.00 C ATOM 549 CD2 PHE A 36 -10.023 0.188 -5.987 1.00 0.00 C ATOM 550 CE1 PHE A 36 -7.973 1.993 -5.603 1.00 0.00 C ATOM 551 CE2 PHE A 36 -9.511 0.888 -7.062 1.00 0.00 C ATOM 552 CZ PHE A 36 -8.487 1.793 -6.869 1.00 0.00 C ATOM 0 H PHE A 36 -10.429 -2.751 -4.457 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.181 -1.337 -3.220 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -11.086 -0.687 -3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -10.123 0.294 -2.686 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.086 1.450 -3.547 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -10.826 -0.517 -6.141 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.169 2.698 -5.450 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -9.911 0.727 -8.052 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.088 2.344 -7.708 1.00 0.00 H new ATOM 562 N ILE A 37 -9.063 -3.195 -1.375 1.00 0.00 N ATOM 563 CA ILE A 37 -9.314 -3.738 -0.054 1.00 0.00 C ATOM 564 C ILE A 37 -8.052 -3.808 0.772 1.00 0.00 C ATOM 565 O ILE A 37 -6.996 -4.182 0.270 1.00 0.00 O ATOM 566 CB ILE A 37 -9.888 -5.148 -0.119 1.00 0.00 C ATOM 567 CG1 ILE A 37 -9.142 -6.024 -1.121 1.00 0.00 C ATOM 568 CG2 ILE A 37 -11.337 -5.082 -0.456 1.00 0.00 C ATOM 569 CD1 ILE A 37 -9.794 -7.372 -1.325 1.00 0.00 C ATOM 0 H ILE A 37 -8.475 -3.782 -1.967 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.032 -3.060 0.408 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.763 -5.609 0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.086 -5.505 -2.078 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.118 -6.170 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -11.746 -6.091 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.863 -4.512 0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.464 -4.595 -1.423 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.218 -7.949 -2.048 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -9.826 -7.908 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -10.809 -7.233 -1.698 1.00 0.00 H new ATOM 581 N GLU A 38 -8.175 -3.474 2.035 1.00 0.00 N ATOM 582 CA GLU A 38 -7.100 -3.674 2.981 1.00 0.00 C ATOM 583 C GLU A 38 -7.569 -4.644 4.050 1.00 0.00 C ATOM 584 O GLU A 38 -8.748 -4.659 4.413 1.00 0.00 O ATOM 585 CB GLU A 38 -6.683 -2.345 3.607 1.00 0.00 C ATOM 586 CG GLU A 38 -7.827 -1.623 4.297 1.00 0.00 C ATOM 587 CD GLU A 38 -7.416 -0.309 4.919 1.00 0.00 C ATOM 588 OE1 GLU A 38 -6.730 -0.324 5.964 1.00 0.00 O ATOM 589 OE2 GLU A 38 -7.813 0.749 4.392 1.00 0.00 O ATOM 0 H GLU A 38 -9.016 -3.059 2.435 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.231 -4.086 2.468 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.887 -2.525 4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.270 -1.700 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.622 -1.442 3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.241 -2.269 5.071 1.00 0.00 H new ATOM 596 N GLU A 39 -6.670 -5.492 4.508 1.00 0.00 N ATOM 597 CA GLU A 39 -6.999 -6.430 5.559 1.00 0.00 C ATOM 598 C GLU A 39 -6.971 -5.725 6.908 1.00 0.00 C ATOM 599 O GLU A 39 -6.096 -4.898 7.176 1.00 0.00 O ATOM 600 CB GLU A 39 -6.022 -7.603 5.553 1.00 0.00 C ATOM 601 CG GLU A 39 -6.255 -8.584 6.669 1.00 0.00 C ATOM 602 CD GLU A 39 -5.133 -9.583 6.824 1.00 0.00 C ATOM 603 OE1 GLU A 39 -4.064 -9.201 7.335 1.00 0.00 O ATOM 604 OE2 GLU A 39 -5.315 -10.754 6.446 1.00 0.00 O ATOM 0 H GLU A 39 -5.710 -5.550 4.169 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.002 -6.819 5.383 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.099 -8.125 4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -5.005 -7.218 5.624 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.379 -8.038 7.604 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.187 -9.119 6.486 1.00 0.00 H new ATOM 611 N LEU A 40 -7.938 -6.057 7.739 1.00 0.00 N ATOM 612 CA LEU A 40 -8.099 -5.430 9.040 1.00 0.00 C ATOM 613 C LEU A 40 -7.344 -6.221 10.099 1.00 0.00 C ATOM 614 O LEU A 40 -6.255 -5.779 10.515 1.00 0.00 O ATOM 615 CB LEU A 40 -9.592 -5.349 9.387 1.00 0.00 C ATOM 616 CG LEU A 40 -10.402 -4.223 8.713 1.00 0.00 C ATOM 617 CD1 LEU A 40 -9.842 -3.841 7.351 1.00 0.00 C ATOM 618 CD2 LEU A 40 -11.845 -4.661 8.551 1.00 0.00 C ATOM 619 OXT LEU A 40 -7.827 -7.305 10.488 1.00 0.00 O ATOM 0 H LEU A 40 -8.637 -6.771 7.533 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.688 -4.421 9.010 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.053 -6.302 9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.684 -5.234 10.467 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.336 -3.347 9.358 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.448 -3.045 6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.815 -3.495 7.464 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.862 -4.710 6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.416 -3.864 8.075 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.886 -5.557 7.932 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -12.272 -4.877 9.530 1.00 0.00 H new TER 631 LEU A 40 ATOM 632 N MET C 2 29.465 -17.825 8.948 1.00 0.00 N ATOM 633 CA MET C 2 28.182 -18.517 8.688 1.00 0.00 C ATOM 634 C MET C 2 27.233 -17.630 7.883 1.00 0.00 C ATOM 635 O MET C 2 26.927 -17.925 6.729 1.00 0.00 O ATOM 636 CB MET C 2 27.522 -18.923 10.010 1.00 0.00 C ATOM 637 CG MET C 2 26.215 -19.697 9.857 1.00 0.00 C ATOM 638 SD MET C 2 26.436 -21.383 9.241 1.00 0.00 S ATOM 639 CE MET C 2 26.395 -21.142 7.465 1.00 0.00 C ATOM 0 HA MET C 2 28.394 -19.412 8.103 1.00 0.00 H new ATOM 0 HB2 MET C 2 28.224 -19.531 10.580 1.00 0.00 H new ATOM 0 HB3 MET C 2 27.330 -18.024 10.596 1.00 0.00 H new ATOM 0 HG2 MET C 2 25.711 -19.736 10.823 1.00 0.00 H new ATOM 0 HG3 MET C 2 25.559 -19.154 9.176 1.00 0.00 H new ATOM 0 HE1 MET C 2 25.819 -21.943 7.002 1.00 0.00 H new ATOM 0 HE2 MET C 2 25.929 -20.183 7.239 1.00 0.00 H new ATOM 0 HE3 MET C 2 27.412 -21.153 7.073 1.00 0.00 H new ATOM 651 N ALA C 3 26.781 -16.535 8.488 1.00 0.00 N ATOM 652 CA ALA C 3 25.802 -15.658 7.855 1.00 0.00 C ATOM 653 C ALA C 3 26.432 -14.833 6.739 1.00 0.00 C ATOM 654 O ALA C 3 27.506 -14.255 6.908 1.00 0.00 O ATOM 655 CB ALA C 3 25.165 -14.742 8.887 1.00 0.00 C ATOM 0 H ALA C 3 27.078 -16.234 9.416 1.00 0.00 H new ATOM 0 HA ALA C 3 25.030 -16.288 7.413 1.00 0.00 H new ATOM 0 HB1 ALA C 3 24.437 -14.094 8.399 1.00 0.00 H new ATOM 0 HB2 ALA C 3 24.664 -15.342 9.647 1.00 0.00 H new ATOM 0 HB3 ALA C 3 25.936 -14.132 9.357 1.00 0.00 H new ATOM 661 N HIS C 4 25.756 -14.793 5.600 1.00 0.00 N ATOM 662 CA HIS C 4 26.210 -14.020 4.449 1.00 0.00 C ATOM 663 C HIS C 4 25.031 -13.295 3.812 1.00 0.00 C ATOM 664 O HIS C 4 24.938 -13.182 2.587 1.00 0.00 O ATOM 665 CB HIS C 4 26.885 -14.928 3.413 1.00 0.00 C ATOM 666 CG HIS C 4 28.206 -15.483 3.855 1.00 0.00 C ATOM 667 ND1 HIS C 4 28.446 -16.832 3.993 1.00 0.00 N ATOM 668 CD2 HIS C 4 29.363 -14.862 4.184 1.00 0.00 C ATOM 669 CE1 HIS C 4 29.691 -17.017 4.387 1.00 0.00 C ATOM 670 NE2 HIS C 4 30.271 -15.839 4.512 1.00 0.00 N ATOM 0 H HIS C 4 24.880 -15.293 5.446 1.00 0.00 H new ATOM 0 HA HIS C 4 26.941 -13.288 4.794 1.00 0.00 H new ATOM 0 HB2 HIS C 4 26.215 -15.755 3.179 1.00 0.00 H new ATOM 0 HB3 HIS C 4 27.030 -14.365 2.491 1.00 0.00 H new ATOM 0 HD2 HIS C 4 29.539 -13.796 4.188 1.00 0.00 H new ATOM 0 HE1 HIS C 4 30.157 -17.973 4.576 1.00 0.00 H new ATOM 0 HE2 HIS C 4 31.235 -15.680 4.804 1.00 0.00 H new ATOM 679 N HIS C 5 24.127 -12.802 4.649 1.00 0.00 N ATOM 680 CA HIS C 5 22.918 -12.147 4.168 1.00 0.00 C ATOM 681 C HIS C 5 23.180 -10.670 3.887 1.00 0.00 C ATOM 682 O HIS C 5 22.740 -9.791 4.629 1.00 0.00 O ATOM 683 CB HIS C 5 21.775 -12.307 5.179 1.00 0.00 C ATOM 684 CG HIS C 5 20.445 -11.816 4.676 1.00 0.00 C ATOM 685 ND1 HIS C 5 19.795 -10.722 5.209 1.00 0.00 N ATOM 686 CD2 HIS C 5 19.641 -12.283 3.689 1.00 0.00 C ATOM 687 CE1 HIS C 5 18.653 -10.537 4.572 1.00 0.00 C ATOM 688 NE2 HIS C 5 18.535 -11.470 3.648 1.00 0.00 N ATOM 0 H HIS C 5 24.209 -12.844 5.665 1.00 0.00 H new ATOM 0 HA HIS C 5 22.621 -12.626 3.235 1.00 0.00 H new ATOM 0 HB2 HIS C 5 21.685 -13.360 5.448 1.00 0.00 H new ATOM 0 HB3 HIS C 5 22.030 -11.766 6.090 1.00 0.00 H new ATOM 0 HD2 HIS C 5 19.834 -13.135 3.054 1.00 0.00 H new ATOM 0 HE1 HIS C 5 17.937 -9.754 4.774 1.00 0.00 H new ATOM 0 HE2 HIS C 5 17.749 -11.572 3.006 1.00 0.00 H new ATOM 697 N HIS C 6 23.924 -10.412 2.827 1.00 0.00 N ATOM 698 CA HIS C 6 24.164 -9.055 2.364 1.00 0.00 C ATOM 699 C HIS C 6 24.272 -9.063 0.848 1.00 0.00 C ATOM 700 O HIS C 6 25.098 -9.778 0.283 1.00 0.00 O ATOM 701 CB HIS C 6 25.443 -8.480 2.985 1.00 0.00 C ATOM 702 CG HIS C 6 25.619 -7.008 2.747 1.00 0.00 C ATOM 703 ND1 HIS C 6 26.487 -6.490 1.808 1.00 0.00 N ATOM 704 CD2 HIS C 6 25.033 -5.942 3.341 1.00 0.00 C ATOM 705 CE1 HIS C 6 26.426 -5.171 1.835 1.00 0.00 C ATOM 706 NE2 HIS C 6 25.551 -4.814 2.756 1.00 0.00 N ATOM 0 H HIS C 6 24.377 -11.132 2.265 1.00 0.00 H new ATOM 0 HA HIS C 6 23.332 -8.421 2.672 1.00 0.00 H new ATOM 0 HB2 HIS C 6 25.431 -8.667 4.059 1.00 0.00 H new ATOM 0 HB3 HIS C 6 26.304 -9.011 2.579 1.00 0.00 H new ATOM 0 HD2 HIS C 6 24.295 -5.973 4.129 1.00 0.00 H new ATOM 0 HE1 HIS C 6 26.995 -4.499 1.210 1.00 0.00 H new ATOM 0 HE2 HIS C 6 25.300 -3.855 2.995 1.00 0.00 H new ATOM 715 N HIS C 7 23.421 -8.298 0.189 1.00 0.00 N ATOM 716 CA HIS C 7 23.394 -8.279 -1.265 1.00 0.00 C ATOM 717 C HIS C 7 23.469 -6.852 -1.791 1.00 0.00 C ATOM 718 O HIS C 7 22.491 -6.106 -1.740 1.00 0.00 O ATOM 719 CB HIS C 7 22.133 -8.975 -1.788 1.00 0.00 C ATOM 720 CG HIS C 7 22.140 -10.460 -1.590 1.00 0.00 C ATOM 721 ND1 HIS C 7 22.441 -11.353 -2.597 1.00 0.00 N ATOM 722 CD2 HIS C 7 21.882 -11.209 -0.494 1.00 0.00 C ATOM 723 CE1 HIS C 7 22.366 -12.582 -2.126 1.00 0.00 C ATOM 724 NE2 HIS C 7 22.029 -12.523 -0.853 1.00 0.00 N ATOM 0 H HIS C 7 22.740 -7.683 0.635 1.00 0.00 H new ATOM 0 HA HIS C 7 24.267 -8.822 -1.627 1.00 0.00 H new ATOM 0 HB2 HIS C 7 21.262 -8.554 -1.286 1.00 0.00 H new ATOM 0 HB3 HIS C 7 22.024 -8.759 -2.851 1.00 0.00 H new ATOM 0 HD2 HIS C 7 21.610 -10.840 0.484 1.00 0.00 H new ATOM 0 HE1 HIS C 7 22.550 -13.485 -2.689 1.00 0.00 H new ATOM 0 HE2 HIS C 7 21.899 -13.325 -0.236 1.00 0.00 H new ATOM 733 N HIS C 8 24.635 -6.482 -2.297 1.00 0.00 N ATOM 734 CA HIS C 8 24.855 -5.144 -2.826 1.00 0.00 C ATOM 735 C HIS C 8 25.319 -5.218 -4.283 1.00 0.00 C ATOM 736 O HIS C 8 26.130 -4.410 -4.735 1.00 0.00 O ATOM 737 CB HIS C 8 25.886 -4.402 -1.963 1.00 0.00 C ATOM 738 CG HIS C 8 25.897 -2.914 -2.162 1.00 0.00 C ATOM 739 ND1 HIS C 8 24.996 -2.072 -1.548 1.00 0.00 N ATOM 740 CD2 HIS C 8 26.705 -2.118 -2.902 1.00 0.00 C ATOM 741 CE1 HIS C 8 25.249 -0.826 -1.903 1.00 0.00 C ATOM 742 NE2 HIS C 8 26.281 -0.827 -2.722 1.00 0.00 N ATOM 0 H HIS C 8 25.449 -7.094 -2.353 1.00 0.00 H new ATOM 0 HA HIS C 8 23.916 -4.591 -2.796 1.00 0.00 H new ATOM 0 HB2 HIS C 8 25.686 -4.616 -0.913 1.00 0.00 H new ATOM 0 HB3 HIS C 8 26.879 -4.794 -2.184 1.00 0.00 H new ATOM 0 HD2 HIS C 8 27.530 -2.441 -3.519 1.00 0.00 H new ATOM 0 HE1 HIS C 8 24.702 0.047 -1.577 1.00 0.00 H new ATOM 0 HE2 HIS C 8 26.697 -0.001 -3.152 1.00 0.00 H new ATOM 751 N HIS C 9 24.807 -6.198 -5.016 1.00 0.00 N ATOM 752 CA HIS C 9 25.141 -6.344 -6.430 1.00 0.00 C ATOM 753 C HIS C 9 24.403 -5.314 -7.271 1.00 0.00 C ATOM 754 O HIS C 9 23.339 -5.594 -7.825 1.00 0.00 O ATOM 755 CB HIS C 9 24.811 -7.749 -6.945 1.00 0.00 C ATOM 756 CG HIS C 9 25.870 -8.767 -6.663 1.00 0.00 C ATOM 757 ND1 HIS C 9 25.587 -10.067 -6.310 1.00 0.00 N ATOM 758 CD2 HIS C 9 27.219 -8.677 -6.713 1.00 0.00 C ATOM 759 CE1 HIS C 9 26.715 -10.733 -6.155 1.00 0.00 C ATOM 760 NE2 HIS C 9 27.721 -9.912 -6.393 1.00 0.00 N ATOM 0 H HIS C 9 24.161 -6.902 -4.658 1.00 0.00 H new ATOM 0 HA HIS C 9 26.215 -6.183 -6.522 1.00 0.00 H new ATOM 0 HB2 HIS C 9 23.875 -8.079 -6.494 1.00 0.00 H new ATOM 0 HB3 HIS C 9 24.646 -7.700 -8.021 1.00 0.00 H new ATOM 0 HD2 HIS C 9 27.793 -7.796 -6.959 1.00 0.00 H new ATOM 0 HE1 HIS C 9 26.801 -11.774 -5.880 1.00 0.00 H new ATOM 0 HE2 HIS C 9 28.710 -10.157 -6.346 1.00 0.00 H new ATOM 769 N VAL C 10 24.963 -4.122 -7.353 1.00 0.00 N ATOM 770 CA VAL C 10 24.393 -3.072 -8.176 1.00 0.00 C ATOM 771 C VAL C 10 25.412 -2.597 -9.203 1.00 0.00 C ATOM 772 O VAL C 10 26.619 -2.600 -8.955 1.00 0.00 O ATOM 773 CB VAL C 10 23.899 -1.871 -7.334 1.00 0.00 C ATOM 774 CG1 VAL C 10 22.797 -2.302 -6.373 1.00 0.00 C ATOM 775 CG2 VAL C 10 25.045 -1.224 -6.574 1.00 0.00 C ATOM 0 H VAL C 10 25.814 -3.856 -6.858 1.00 0.00 H new ATOM 0 HA VAL C 10 23.528 -3.496 -8.685 1.00 0.00 H new ATOM 0 HB VAL C 10 23.489 -1.130 -8.020 1.00 0.00 H new ATOM 0 HG11 VAL C 10 22.465 -1.442 -5.791 1.00 0.00 H new ATOM 0 HG12 VAL C 10 21.957 -2.703 -6.939 1.00 0.00 H new ATOM 0 HG13 VAL C 10 23.180 -3.069 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL C 10 24.667 -0.384 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL C 10 25.496 -1.956 -5.904 1.00 0.00 H new ATOM 0 HG23 VAL C 10 25.795 -0.868 -7.280 1.00 0.00 H new ATOM 785 N ASP C 11 24.911 -2.217 -10.364 1.00 0.00 N ATOM 786 CA ASP C 11 25.750 -1.742 -11.455 1.00 0.00 C ATOM 787 C ASP C 11 25.348 -0.319 -11.815 1.00 0.00 C ATOM 788 O ASP C 11 25.973 0.646 -11.379 1.00 0.00 O ATOM 789 CB ASP C 11 25.616 -2.679 -12.660 1.00 0.00 C ATOM 790 CG ASP C 11 26.329 -2.172 -13.894 1.00 0.00 C ATOM 791 OD1 ASP C 11 27.576 -2.189 -13.918 1.00 0.00 O ATOM 792 OD2 ASP C 11 25.637 -1.775 -14.856 1.00 0.00 O ATOM 0 H ASP C 11 23.914 -2.228 -10.580 1.00 0.00 H new ATOM 0 HA ASP C 11 26.795 -1.739 -11.147 1.00 0.00 H new ATOM 0 HB2 ASP C 11 26.014 -3.659 -12.396 1.00 0.00 H new ATOM 0 HB3 ASP C 11 24.559 -2.815 -12.890 1.00 0.00 H new ATOM 797 N ASP C 12 24.287 -0.199 -12.594 1.00 0.00 N ATOM 798 CA ASP C 12 23.635 1.084 -12.817 1.00 0.00 C ATOM 799 C ASP C 12 22.249 1.023 -12.207 1.00 0.00 C ATOM 800 O ASP C 12 21.736 2.001 -11.661 1.00 0.00 O ATOM 801 CB ASP C 12 23.535 1.403 -14.310 1.00 0.00 C ATOM 802 CG ASP C 12 22.705 2.645 -14.584 1.00 0.00 C ATOM 803 OD1 ASP C 12 23.249 3.766 -14.486 1.00 0.00 O ATOM 804 OD2 ASP C 12 21.504 2.505 -14.902 1.00 0.00 O ATOM 0 H ASP C 12 23.854 -0.980 -13.087 1.00 0.00 H new ATOM 0 HA ASP C 12 24.225 1.874 -12.351 1.00 0.00 H new ATOM 0 HB2 ASP C 12 24.537 1.542 -14.717 1.00 0.00 H new ATOM 0 HB3 ASP C 12 23.095 0.553 -14.831 1.00 0.00 H new ATOM 809 N ASP C 13 21.671 -0.163 -12.290 1.00 0.00 N ATOM 810 CA ASP C 13 20.365 -0.445 -11.729 1.00 0.00 C ATOM 811 C ASP C 13 20.459 -0.652 -10.220 1.00 0.00 C ATOM 812 O ASP C 13 20.398 -1.776 -9.720 1.00 0.00 O ATOM 813 CB ASP C 13 19.757 -1.675 -12.420 1.00 0.00 C ATOM 814 CG ASP C 13 20.685 -2.880 -12.437 1.00 0.00 C ATOM 815 OD1 ASP C 13 21.843 -2.749 -12.898 1.00 0.00 O ATOM 816 OD2 ASP C 13 20.259 -3.971 -12.004 1.00 0.00 O ATOM 0 H ASP C 13 22.101 -0.963 -12.754 1.00 0.00 H new ATOM 0 HA ASP C 13 19.712 0.410 -11.904 1.00 0.00 H new ATOM 0 HB2 ASP C 13 18.831 -1.946 -11.913 1.00 0.00 H new ATOM 0 HB3 ASP C 13 19.494 -1.414 -13.445 1.00 0.00 H new ATOM 821 N ASP C 14 20.631 0.450 -9.505 1.00 0.00 N ATOM 822 CA ASP C 14 20.704 0.429 -8.055 1.00 0.00 C ATOM 823 C ASP C 14 19.338 0.112 -7.466 1.00 0.00 C ATOM 824 O ASP C 14 19.207 -0.752 -6.598 1.00 0.00 O ATOM 825 CB ASP C 14 21.205 1.780 -7.550 1.00 0.00 C ATOM 826 CG ASP C 14 21.157 1.905 -6.039 1.00 0.00 C ATOM 827 OD1 ASP C 14 22.110 1.459 -5.369 1.00 0.00 O ATOM 828 OD2 ASP C 14 20.173 2.474 -5.515 1.00 0.00 O ATOM 0 H ASP C 14 20.723 1.380 -9.914 1.00 0.00 H new ATOM 0 HA ASP C 14 21.401 -0.347 -7.740 1.00 0.00 H new ATOM 0 HB2 ASP C 14 22.230 1.930 -7.889 1.00 0.00 H new ATOM 0 HB3 ASP C 14 20.603 2.573 -7.994 1.00 0.00 H new ATOM 833 N LYS C 15 18.324 0.826 -7.942 1.00 0.00 N ATOM 834 CA LYS C 15 16.956 0.566 -7.543 1.00 0.00 C ATOM 835 C LYS C 15 16.536 -0.846 -7.931 1.00 0.00 C ATOM 836 O LYS C 15 16.961 -1.378 -8.960 1.00 0.00 O ATOM 837 CB LYS C 15 16.033 1.597 -8.162 1.00 0.00 C ATOM 838 CG LYS C 15 16.389 2.990 -7.708 1.00 0.00 C ATOM 839 CD LYS C 15 15.535 4.054 -8.375 1.00 0.00 C ATOM 840 CE LYS C 15 15.887 5.442 -7.865 1.00 0.00 C ATOM 841 NZ LYS C 15 15.119 6.502 -8.563 1.00 0.00 N ATOM 0 H LYS C 15 18.430 1.592 -8.607 1.00 0.00 H new ATOM 0 HA LYS C 15 16.887 0.644 -6.458 1.00 0.00 H new ATOM 0 HB2 LYS C 15 16.095 1.539 -9.249 1.00 0.00 H new ATOM 0 HB3 LYS C 15 15.001 1.375 -7.889 1.00 0.00 H new ATOM 0 HG2 LYS C 15 16.270 3.058 -6.627 1.00 0.00 H new ATOM 0 HG3 LYS C 15 17.440 3.182 -7.926 1.00 0.00 H new ATOM 0 HD2 LYS C 15 15.677 4.014 -9.455 1.00 0.00 H new ATOM 0 HD3 LYS C 15 14.481 3.850 -8.185 1.00 0.00 H new ATOM 0 HE2 LYS C 15 15.689 5.496 -6.795 1.00 0.00 H new ATOM 0 HE3 LYS C 15 16.954 5.618 -8.001 1.00 0.00 H new ATOM 0 HZ1 LYS C 15 15.389 7.432 -8.185 1.00 0.00 H new ATOM 0 HZ2 LYS C 15 15.327 6.468 -9.581 1.00 0.00 H new ATOM 0 HZ3 LYS C 15 14.101 6.350 -8.412 1.00 0.00 H new ATOM 855 N MET C 16 15.679 -1.431 -7.111 1.00 0.00 N ATOM 856 CA MET C 16 15.386 -2.851 -7.193 1.00 0.00 C ATOM 857 C MET C 16 13.954 -3.119 -7.642 1.00 0.00 C ATOM 858 O MET C 16 13.735 -3.828 -8.621 1.00 0.00 O ATOM 859 CB MET C 16 15.633 -3.518 -5.837 1.00 0.00 C ATOM 860 CG MET C 16 17.087 -3.490 -5.389 1.00 0.00 C ATOM 861 SD MET C 16 18.191 -4.324 -6.547 1.00 0.00 S ATOM 862 CE MET C 16 17.489 -5.970 -6.548 1.00 0.00 C ATOM 0 H MET C 16 15.171 -0.939 -6.376 1.00 0.00 H new ATOM 0 HA MET C 16 16.053 -3.275 -7.943 1.00 0.00 H new ATOM 0 HB2 MET C 16 15.022 -3.022 -5.083 1.00 0.00 H new ATOM 0 HB3 MET C 16 15.299 -4.554 -5.887 1.00 0.00 H new ATOM 0 HG2 MET C 16 17.406 -2.455 -5.271 1.00 0.00 H new ATOM 0 HG3 MET C 16 17.170 -3.963 -4.410 1.00 0.00 H new ATOM 0 HE1 MET C 16 18.218 -6.676 -6.946 1.00 0.00 H new ATOM 0 HE2 MET C 16 17.227 -6.254 -5.529 1.00 0.00 H new ATOM 0 HE3 MET C 16 16.594 -5.983 -7.170 1.00 0.00 H new ATOM 872 N LEU C 17 12.973 -2.556 -6.944 1.00 0.00 N ATOM 873 CA LEU C 17 11.596 -2.928 -7.201 1.00 0.00 C ATOM 874 C LEU C 17 10.917 -1.903 -8.071 1.00 0.00 C ATOM 875 O LEU C 17 10.918 -0.709 -7.763 1.00 0.00 O ATOM 876 CB LEU C 17 10.832 -3.062 -5.914 1.00 0.00 C ATOM 877 CG LEU C 17 11.665 -3.376 -4.681 1.00 0.00 C ATOM 878 CD1 LEU C 17 10.862 -3.085 -3.447 1.00 0.00 C ATOM 879 CD2 LEU C 17 12.123 -4.823 -4.665 1.00 0.00 C ATOM 0 H LEU C 17 13.105 -1.857 -6.213 1.00 0.00 H new ATOM 0 HA LEU C 17 11.606 -3.888 -7.717 1.00 0.00 H new ATOM 0 HB2 LEU C 17 10.290 -2.133 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU C 17 10.087 -3.848 -6.036 1.00 0.00 H new ATOM 0 HG LEU C 17 12.554 -2.746 -4.706 1.00 0.00 H new ATOM 0 HD11 LEU C 17 11.459 -3.310 -2.563 1.00 0.00 H new ATOM 0 HD12 LEU C 17 10.580 -2.032 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU C 17 9.963 -3.701 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU C 17 12.715 -5.007 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU C 17 11.253 -5.480 -4.667 1.00 0.00 H new ATOM 0 HD23 LEU C 17 12.730 -5.022 -5.548 1.00 0.00 H new ATOM 891 N GLU C 18 10.323 -2.374 -9.144 1.00 0.00 N ATOM 892 CA GLU C 18 9.555 -1.516 -10.001 1.00 0.00 C ATOM 893 C GLU C 18 8.175 -1.414 -9.430 1.00 0.00 C ATOM 894 O GLU C 18 7.311 -2.248 -9.681 1.00 0.00 O ATOM 895 CB GLU C 18 9.527 -2.046 -11.406 1.00 0.00 C ATOM 896 CG GLU C 18 8.848 -1.129 -12.403 1.00 0.00 C ATOM 897 CD GLU C 18 8.756 -1.744 -13.781 1.00 0.00 C ATOM 898 OE1 GLU C 18 7.877 -2.603 -13.999 1.00 0.00 O ATOM 899 OE2 GLU C 18 9.563 -1.371 -14.656 1.00 0.00 O ATOM 0 H GLU C 18 10.360 -3.349 -9.440 1.00 0.00 H new ATOM 0 HA GLU C 18 10.010 -0.527 -10.049 1.00 0.00 H new ATOM 0 HB2 GLU C 18 10.550 -2.227 -11.734 1.00 0.00 H new ATOM 0 HB3 GLU C 18 9.016 -3.009 -11.409 1.00 0.00 H new ATOM 0 HG2 GLU C 18 7.846 -0.889 -12.048 1.00 0.00 H new ATOM 0 HG3 GLU C 18 9.399 -0.190 -12.463 1.00 0.00 H new ATOM 906 N VAL C 19 7.983 -0.407 -8.621 1.00 0.00 N ATOM 907 CA VAL C 19 6.757 -0.265 -7.919 1.00 0.00 C ATOM 908 C VAL C 19 5.728 0.259 -8.877 1.00 0.00 C ATOM 909 O VAL C 19 5.976 1.223 -9.569 1.00 0.00 O ATOM 910 CB VAL C 19 6.935 0.706 -6.753 1.00 0.00 C ATOM 911 CG1 VAL C 19 5.596 1.311 -6.342 1.00 0.00 C ATOM 912 CG2 VAL C 19 7.575 0.014 -5.566 1.00 0.00 C ATOM 0 H VAL C 19 8.669 0.325 -8.438 1.00 0.00 H new ATOM 0 HA VAL C 19 6.437 -1.227 -7.517 1.00 0.00 H new ATOM 0 HB VAL C 19 7.594 1.508 -7.086 1.00 0.00 H new ATOM 0 HG11 VAL C 19 5.748 1.999 -5.510 1.00 0.00 H new ATOM 0 HG12 VAL C 19 5.166 1.851 -7.186 1.00 0.00 H new ATOM 0 HG13 VAL C 19 4.916 0.516 -6.036 1.00 0.00 H new ATOM 0 HG21 VAL C 19 7.691 0.726 -4.749 1.00 0.00 H new ATOM 0 HG22 VAL C 19 6.941 -0.811 -5.241 1.00 0.00 H new ATOM 0 HG23 VAL C 19 8.553 -0.371 -5.853 1.00 0.00 H new ATOM 922 N LEU C 20 4.621 -0.406 -8.992 1.00 0.00 N ATOM 923 CA LEU C 20 3.536 0.140 -9.729 1.00 0.00 C ATOM 924 C LEU C 20 2.411 0.400 -8.739 1.00 0.00 C ATOM 925 O LEU C 20 2.386 -0.214 -7.679 1.00 0.00 O ATOM 926 CB LEU C 20 3.109 -0.831 -10.826 1.00 0.00 C ATOM 927 CG LEU C 20 4.102 -1.934 -11.214 1.00 0.00 C ATOM 928 CD1 LEU C 20 3.430 -2.934 -12.135 1.00 0.00 C ATOM 929 CD2 LEU C 20 5.326 -1.364 -11.898 1.00 0.00 C ATOM 0 H LEU C 20 4.450 -1.325 -8.584 1.00 0.00 H new ATOM 0 HA LEU C 20 3.816 1.071 -10.223 1.00 0.00 H new ATOM 0 HB2 LEU C 20 2.181 -1.308 -10.512 1.00 0.00 H new ATOM 0 HB3 LEU C 20 2.882 -0.251 -11.721 1.00 0.00 H new ATOM 0 HG LEU C 20 4.422 -2.430 -10.298 1.00 0.00 H new ATOM 0 HD11 LEU C 20 4.141 -3.714 -12.406 1.00 0.00 H new ATOM 0 HD12 LEU C 20 2.577 -3.382 -11.625 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.088 -2.426 -13.036 1.00 0.00 H new ATOM 0 HD21 LEU C 20 6.007 -2.174 -12.159 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.025 -0.838 -12.804 1.00 0.00 H new ATOM 0 HD23 LEU C 20 5.829 -0.669 -11.225 1.00 0.00 H new ATOM 941 N VAL C 21 1.523 1.330 -9.043 1.00 0.00 N ATOM 942 CA VAL C 21 0.403 1.637 -8.159 1.00 0.00 C ATOM 943 C VAL C 21 -0.852 1.900 -8.982 1.00 0.00 C ATOM 944 O VAL C 21 -0.751 2.259 -10.142 1.00 0.00 O ATOM 945 CB VAL C 21 0.666 2.885 -7.294 1.00 0.00 C ATOM 946 CG1 VAL C 21 1.966 2.747 -6.523 1.00 0.00 C ATOM 947 CG2 VAL C 21 0.644 4.140 -8.153 1.00 0.00 C ATOM 0 H VAL C 21 1.552 1.889 -9.896 1.00 0.00 H new ATOM 0 HA VAL C 21 0.275 0.774 -7.506 1.00 0.00 H new ATOM 0 HB VAL C 21 -0.133 2.975 -6.558 1.00 0.00 H new ATOM 0 HG11 VAL C 21 2.128 3.641 -5.921 1.00 0.00 H new ATOM 0 HG12 VAL C 21 1.912 1.875 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL C 21 2.793 2.626 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL C 21 0.831 5.013 -7.527 1.00 0.00 H new ATOM 0 HG22 VAL C 21 1.416 4.070 -8.919 1.00 0.00 H new ATOM 0 HG23 VAL C 21 -0.332 4.238 -8.629 1.00 0.00 H new ATOM 957 N LYS C 22 -2.019 1.701 -8.392 1.00 0.00 N ATOM 958 CA LYS C 22 -3.272 2.110 -8.975 1.00 0.00 C ATOM 959 C LYS C 22 -4.123 2.801 -7.917 1.00 0.00 C ATOM 960 O LYS C 22 -4.528 2.179 -6.933 1.00 0.00 O ATOM 961 CB LYS C 22 -4.044 0.911 -9.514 1.00 0.00 C ATOM 962 CG LYS C 22 -3.368 0.171 -10.655 1.00 0.00 C ATOM 963 CD LYS C 22 -4.365 -0.635 -11.481 1.00 0.00 C ATOM 964 CE LYS C 22 -5.114 -1.653 -10.641 1.00 0.00 C ATOM 965 NZ LYS C 22 -6.041 -2.473 -11.462 1.00 0.00 N ATOM 0 H LYS C 22 -2.117 1.245 -7.485 1.00 0.00 H new ATOM 0 HA LYS C 22 -3.056 2.791 -9.798 1.00 0.00 H new ATOM 0 HB2 LYS C 22 -4.214 0.210 -8.697 1.00 0.00 H new ATOM 0 HB3 LYS C 22 -5.023 1.251 -9.851 1.00 0.00 H new ATOM 0 HG2 LYS C 22 -2.857 0.887 -11.300 1.00 0.00 H new ATOM 0 HG3 LYS C 22 -2.606 -0.497 -10.253 1.00 0.00 H new ATOM 0 HD2 LYS C 22 -5.079 0.043 -11.949 1.00 0.00 H new ATOM 0 HD3 LYS C 22 -3.838 -1.148 -12.285 1.00 0.00 H new ATOM 0 HE2 LYS C 22 -4.400 -2.306 -10.139 1.00 0.00 H new ATOM 0 HE3 LYS C 22 -5.677 -1.138 -9.863 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 -6.533 -3.156 -10.852 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 -6.739 -1.853 -11.921 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 -5.501 -2.985 -12.189 1.00 0.00 H new ATOM 979 N THR C 23 -4.366 4.083 -8.106 1.00 0.00 N ATOM 980 CA THR C 23 -5.228 4.839 -7.213 1.00 0.00 C ATOM 981 C THR C 23 -6.693 4.657 -7.598 1.00 0.00 C ATOM 982 O THR C 23 -6.999 3.948 -8.561 1.00 0.00 O ATOM 983 CB THR C 23 -4.881 6.340 -7.244 1.00 0.00 C ATOM 984 OG1 THR C 23 -4.979 6.840 -8.585 1.00 0.00 O ATOM 985 CG2 THR C 23 -3.481 6.585 -6.710 1.00 0.00 C ATOM 0 H THR C 23 -3.976 4.628 -8.875 1.00 0.00 H new ATOM 0 HA THR C 23 -5.067 4.458 -6.204 1.00 0.00 H new ATOM 0 HB THR C 23 -5.592 6.865 -6.607 1.00 0.00 H new ATOM 0 HG1 THR C 23 -4.759 7.795 -8.595 1.00 0.00 H new ATOM 0 HG21 THR C 23 -3.261 7.652 -6.743 1.00 0.00 H new ATOM 0 HG22 THR C 23 -3.417 6.233 -5.680 1.00 0.00 H new ATOM 0 HG23 THR C 23 -2.758 6.046 -7.323 1.00 0.00 H new ATOM 993 N LEU C 24 -7.590 5.312 -6.875 1.00 0.00 N ATOM 994 CA LEU C 24 -9.016 5.227 -7.171 1.00 0.00 C ATOM 995 C LEU C 24 -9.326 5.951 -8.476 1.00 0.00 C ATOM 996 O LEU C 24 -10.296 5.636 -9.165 1.00 0.00 O ATOM 997 CB LEU C 24 -9.823 5.812 -6.018 1.00 0.00 C ATOM 998 CG LEU C 24 -9.886 4.926 -4.774 1.00 0.00 C ATOM 999 CD1 LEU C 24 -10.059 5.771 -3.531 1.00 0.00 C ATOM 1000 CD2 LEU C 24 -11.023 3.922 -4.892 1.00 0.00 C ATOM 0 H LEU C 24 -7.358 5.908 -6.080 1.00 0.00 H new ATOM 0 HA LEU C 24 -9.295 4.180 -7.289 1.00 0.00 H new ATOM 0 HB2 LEU C 24 -9.392 6.774 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU C 24 -10.839 6.005 -6.363 1.00 0.00 H new ATOM 0 HG LEU C 24 -8.947 4.379 -4.694 1.00 0.00 H new ATOM 0 HD11 LEU C 24 -10.102 5.124 -2.655 1.00 0.00 H new ATOM 0 HD12 LEU C 24 -9.216 6.455 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU C 24 -10.984 6.343 -3.606 1.00 0.00 H new ATOM 0 HD21 LEU C 24 -11.053 3.300 -3.998 1.00 0.00 H new ATOM 0 HD22 LEU C 24 -11.969 4.454 -4.996 1.00 0.00 H new ATOM 0 HD23 LEU C 24 -10.863 3.292 -5.767 1.00 0.00 H new ATOM 1012 N ASP C 25 -8.468 6.904 -8.822 1.00 0.00 N ATOM 1013 CA ASP C 25 -8.578 7.607 -10.094 1.00 0.00 C ATOM 1014 C ASP C 25 -7.992 6.779 -11.232 1.00 0.00 C ATOM 1015 O ASP C 25 -7.893 7.257 -12.362 1.00 0.00 O ATOM 1016 CB ASP C 25 -7.889 8.970 -10.035 1.00 0.00 C ATOM 1017 CG ASP C 25 -8.787 10.050 -9.472 1.00 0.00 C ATOM 1018 OD1 ASP C 25 -9.570 10.643 -10.244 1.00 0.00 O ATOM 1019 OD2 ASP C 25 -8.711 10.324 -8.261 1.00 0.00 O ATOM 0 H ASP C 25 -7.688 7.207 -8.239 1.00 0.00 H new ATOM 0 HA ASP C 25 -9.640 7.763 -10.286 1.00 0.00 H new ATOM 0 HB2 ASP C 25 -6.991 8.893 -9.422 1.00 0.00 H new ATOM 0 HB3 ASP C 25 -7.568 9.255 -11.037 1.00 0.00 H new ATOM 1024 N SER C 26 -7.572 5.551 -10.916 1.00 0.00 N ATOM 1025 CA SER C 26 -7.137 4.587 -11.927 1.00 0.00 C ATOM 1026 C SER C 26 -5.875 5.063 -12.643 1.00 0.00 C ATOM 1027 O SER C 26 -5.591 4.658 -13.769 1.00 0.00 O ATOM 1028 CB SER C 26 -8.263 4.379 -12.930 1.00 0.00 C ATOM 1029 OG SER C 26 -8.079 3.206 -13.704 1.00 0.00 O ATOM 0 H SER C 26 -7.524 5.200 -9.959 1.00 0.00 H new ATOM 0 HA SER C 26 -6.899 3.645 -11.433 1.00 0.00 H new ATOM 0 HB2 SER C 26 -9.213 4.317 -12.400 1.00 0.00 H new ATOM 0 HB3 SER C 26 -8.323 5.243 -13.591 1.00 0.00 H new ATOM 0 HG SER C 26 -7.166 3.189 -14.060 1.00 0.00 H new ATOM 1035 N GLN C 27 -5.146 5.939 -11.977 1.00 0.00 N ATOM 1036 CA GLN C 27 -3.888 6.480 -12.493 1.00 0.00 C ATOM 1037 C GLN C 27 -2.959 5.387 -13.017 1.00 0.00 C ATOM 1038 O GLN C 27 -2.582 5.395 -14.188 1.00 0.00 O ATOM 1039 CB GLN C 27 -3.164 7.260 -11.398 1.00 0.00 C ATOM 1040 CG GLN C 27 -3.749 8.636 -11.120 1.00 0.00 C ATOM 1041 CD GLN C 27 -2.955 9.399 -10.089 1.00 0.00 C ATOM 1042 OE1 GLN C 27 -1.758 9.170 -9.912 1.00 0.00 O ATOM 1043 NE2 GLN C 27 -3.604 10.331 -9.423 1.00 0.00 N ATOM 0 H GLN C 27 -5.405 6.301 -11.059 1.00 0.00 H new ATOM 0 HA GLN C 27 -4.143 7.137 -13.324 1.00 0.00 H new ATOM 0 HB2 GLN C 27 -3.185 6.676 -10.478 1.00 0.00 H new ATOM 0 HB3 GLN C 27 -2.117 7.373 -11.680 1.00 0.00 H new ATOM 0 HG2 GLN C 27 -3.781 9.209 -12.047 1.00 0.00 H new ATOM 0 HG3 GLN C 27 -4.778 8.528 -10.776 1.00 0.00 H new ATOM 0 HE21 GLN C 27 -4.596 10.488 -9.601 1.00 0.00 H new ATOM 0 HE22 GLN C 27 -3.115 10.896 -8.729 1.00 0.00 H new ATOM 1052 N THR C 28 -2.620 4.447 -12.142 1.00 0.00 N ATOM 1053 CA THR C 28 -1.625 3.423 -12.428 1.00 0.00 C ATOM 1054 C THR C 28 -0.282 4.042 -12.837 1.00 0.00 C ATOM 1055 O THR C 28 -0.069 4.392 -14.000 1.00 0.00 O ATOM 1056 CB THR C 28 -2.087 2.461 -13.524 1.00 0.00 C ATOM 1057 OG1 THR C 28 -3.290 1.797 -13.123 1.00 0.00 O ATOM 1058 CG2 THR C 28 -0.988 1.452 -13.823 1.00 0.00 C ATOM 0 H THR C 28 -3.030 4.374 -11.211 1.00 0.00 H new ATOM 0 HA THR C 28 -1.496 2.861 -11.503 1.00 0.00 H new ATOM 0 HB THR C 28 -2.296 3.026 -14.432 1.00 0.00 H new ATOM 0 HG1 THR C 28 -3.578 1.185 -13.832 1.00 0.00 H new ATOM 0 HG21 THR C 28 -1.323 0.770 -14.604 1.00 0.00 H new ATOM 0 HG22 THR C 28 -0.094 1.977 -14.159 1.00 0.00 H new ATOM 0 HG23 THR C 28 -0.759 0.885 -12.920 1.00 0.00 H new ATOM 1066 N ARG C 29 0.624 4.179 -11.882 1.00 0.00 N ATOM 1067 CA ARG C 29 1.943 4.726 -12.170 1.00 0.00 C ATOM 1068 C ARG C 29 3.027 3.881 -11.523 1.00 0.00 C ATOM 1069 O ARG C 29 2.728 2.992 -10.734 1.00 0.00 O ATOM 1070 CB ARG C 29 2.061 6.160 -11.680 1.00 0.00 C ATOM 1071 CG ARG C 29 1.135 7.131 -12.382 1.00 0.00 C ATOM 1072 CD ARG C 29 1.294 8.532 -11.823 1.00 0.00 C ATOM 1073 NE ARG C 29 0.325 9.465 -12.390 1.00 0.00 N ATOM 1074 CZ ARG C 29 0.444 10.788 -12.339 1.00 0.00 C ATOM 1075 NH1 ARG C 29 1.526 11.344 -11.799 1.00 0.00 N ATOM 1076 NH2 ARG C 29 -0.511 11.552 -12.845 1.00 0.00 N ATOM 0 H ARG C 29 0.473 3.921 -10.907 1.00 0.00 H new ATOM 0 HA ARG C 29 2.074 4.713 -13.252 1.00 0.00 H new ATOM 0 HB2 ARG C 29 1.853 6.185 -10.610 1.00 0.00 H new ATOM 0 HB3 ARG C 29 3.090 6.495 -11.813 1.00 0.00 H new ATOM 0 HG2 ARG C 29 1.349 7.135 -13.451 1.00 0.00 H new ATOM 0 HG3 ARG C 29 0.102 6.804 -12.265 1.00 0.00 H new ATOM 0 HD2 ARG C 29 1.178 8.504 -10.740 1.00 0.00 H new ATOM 0 HD3 ARG C 29 2.303 8.890 -12.027 1.00 0.00 H new ATOM 0 HE ARG C 29 -0.496 9.077 -12.855 1.00 0.00 H new ATOM 0 HH11 ARG C 29 2.268 10.754 -11.422 1.00 0.00 H new ATOM 0 HH12 ARG C 29 1.613 12.360 -11.762 1.00 0.00 H new ATOM 0 HH21 ARG C 29 -1.333 11.125 -13.271 1.00 0.00 H new ATOM 0 HH22 ARG C 29 -0.425 12.568 -12.808 1.00 0.00 H new ATOM 1090 N THR C 30 4.280 4.148 -11.862 1.00 0.00 N ATOM 1091 CA THR C 30 5.380 3.402 -11.349 1.00 0.00 C ATOM 1092 C THR C 30 6.264 4.231 -10.411 1.00 0.00 C ATOM 1093 O THR C 30 6.459 5.426 -10.635 1.00 0.00 O ATOM 1094 CB THR C 30 6.197 2.938 -12.527 1.00 0.00 C ATOM 1095 OG1 THR C 30 6.259 3.973 -13.519 1.00 0.00 O ATOM 1096 CG2 THR C 30 5.623 1.678 -13.131 1.00 0.00 C ATOM 0 H THR C 30 4.545 4.895 -12.504 1.00 0.00 H new ATOM 0 HA THR C 30 4.997 2.566 -10.764 1.00 0.00 H new ATOM 0 HB THR C 30 7.203 2.715 -12.173 1.00 0.00 H new ATOM 0 HG1 THR C 30 6.793 3.665 -14.281 1.00 0.00 H new ATOM 0 HG21 THR C 30 6.235 1.369 -13.978 1.00 0.00 H new ATOM 0 HG22 THR C 30 5.615 0.886 -12.382 1.00 0.00 H new ATOM 0 HG23 THR C 30 4.604 1.868 -13.469 1.00 0.00 H new ATOM 1104 N PHE C 31 6.814 3.581 -9.380 1.00 0.00 N ATOM 1105 CA PHE C 31 7.574 4.252 -8.336 1.00 0.00 C ATOM 1106 C PHE C 31 8.768 3.426 -7.924 1.00 0.00 C ATOM 1107 O PHE C 31 8.844 2.933 -6.799 1.00 0.00 O ATOM 1108 CB PHE C 31 6.703 4.452 -7.120 1.00 0.00 C ATOM 1109 CG PHE C 31 5.539 5.305 -7.388 1.00 0.00 C ATOM 1110 CD1 PHE C 31 5.714 6.514 -8.008 1.00 0.00 C ATOM 1111 CD2 PHE C 31 4.279 4.903 -7.023 1.00 0.00 C ATOM 1112 CE1 PHE C 31 4.634 7.322 -8.271 1.00 0.00 C ATOM 1113 CE2 PHE C 31 3.197 5.690 -7.278 1.00 0.00 C ATOM 1114 CZ PHE C 31 3.362 6.910 -7.906 1.00 0.00 C ATOM 0 H PHE C 31 6.741 2.572 -9.251 1.00 0.00 H new ATOM 0 HA PHE C 31 7.911 5.210 -8.731 1.00 0.00 H new ATOM 0 HB2 PHE C 31 6.361 3.482 -6.760 1.00 0.00 H new ATOM 0 HB3 PHE C 31 7.298 4.897 -6.322 1.00 0.00 H new ATOM 0 HD1 PHE C 31 6.706 6.834 -8.292 1.00 0.00 H new ATOM 0 HD2 PHE C 31 4.144 3.953 -6.528 1.00 0.00 H new ATOM 0 HE1 PHE C 31 4.776 8.274 -8.760 1.00 0.00 H new ATOM 0 HE2 PHE C 31 2.210 5.361 -6.989 1.00 0.00 H new ATOM 0 HZ PHE C 31 2.507 7.537 -8.111 1.00 0.00 H new ATOM 1124 N ILE C 32 9.685 3.268 -8.831 1.00 0.00 N ATOM 1125 CA ILE C 32 10.819 2.413 -8.609 1.00 0.00 C ATOM 1126 C ILE C 32 11.671 2.817 -7.448 1.00 0.00 C ATOM 1127 O ILE C 32 12.204 3.923 -7.351 1.00 0.00 O ATOM 1128 CB ILE C 32 11.638 2.270 -9.861 1.00 0.00 C ATOM 1129 CG1 ILE C 32 10.775 1.605 -10.823 1.00 0.00 C ATOM 1130 CG2 ILE C 32 12.807 1.374 -9.627 1.00 0.00 C ATOM 1131 CD1 ILE C 32 10.241 2.461 -11.940 1.00 0.00 C ATOM 0 H ILE C 32 9.671 3.725 -9.743 1.00 0.00 H new ATOM 0 HA ILE C 32 10.407 1.440 -8.342 1.00 0.00 H new ATOM 0 HB ILE C 32 11.997 3.244 -10.193 1.00 0.00 H new ATOM 0 HG12 ILE C 32 11.328 0.774 -11.262 1.00 0.00 H new ATOM 0 HG13 ILE C 32 9.929 1.176 -10.285 1.00 0.00 H new ATOM 0 HG21 ILE C 32 13.386 1.284 -10.546 1.00 0.00 H new ATOM 0 HG22 ILE C 32 13.435 1.793 -8.841 1.00 0.00 H new ATOM 0 HG23 ILE C 32 12.455 0.388 -9.322 1.00 0.00 H new ATOM 0 HD11 ILE C 32 9.611 1.856 -12.593 1.00 0.00 H new ATOM 0 HD12 ILE C 32 9.652 3.278 -11.523 1.00 0.00 H new ATOM 0 HD13 ILE C 32 11.072 2.870 -12.515 1.00 0.00 H new ATOM 1143 N VAL C 33 11.756 1.856 -6.574 1.00 0.00 N ATOM 1144 CA VAL C 33 12.517 1.956 -5.344 1.00 0.00 C ATOM 1145 C VAL C 33 13.515 0.832 -5.223 1.00 0.00 C ATOM 1146 O VAL C 33 13.665 0.020 -6.129 1.00 0.00 O ATOM 1147 CB VAL C 33 11.600 1.925 -4.125 1.00 0.00 C ATOM 1148 CG1 VAL C 33 10.864 3.225 -4.044 1.00 0.00 C ATOM 1149 CG2 VAL C 33 10.628 0.759 -4.211 1.00 0.00 C ATOM 0 H VAL C 33 11.290 0.956 -6.692 1.00 0.00 H new ATOM 0 HA VAL C 33 13.046 2.908 -5.379 1.00 0.00 H new ATOM 0 HB VAL C 33 12.197 1.787 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL C 33 10.204 3.216 -3.176 1.00 0.00 H new ATOM 0 HG12 VAL C 33 11.579 4.042 -3.948 1.00 0.00 H new ATOM 0 HG13 VAL C 33 10.272 3.365 -4.948 1.00 0.00 H new ATOM 0 HG21 VAL C 33 9.984 0.756 -3.332 1.00 0.00 H new ATOM 0 HG22 VAL C 33 10.017 0.860 -5.108 1.00 0.00 H new ATOM 0 HG23 VAL C 33 11.185 -0.177 -4.255 1.00 0.00 H new ATOM 1159 N GLY C 34 14.170 0.771 -4.082 1.00 0.00 N ATOM 1160 CA GLY C 34 15.248 -0.190 -3.919 1.00 0.00 C ATOM 1161 C GLY C 34 15.106 -1.078 -2.702 1.00 0.00 C ATOM 1162 O GLY C 34 16.056 -1.267 -1.951 1.00 0.00 O ATOM 0 H GLY C 34 13.984 1.359 -3.270 1.00 0.00 H new ATOM 0 HA2 GLY C 34 15.299 -0.817 -4.809 1.00 0.00 H new ATOM 0 HA3 GLY C 34 16.194 0.348 -3.854 1.00 0.00 H new ATOM 1166 N ALA C 35 13.899 -1.595 -2.511 1.00 0.00 N ATOM 1167 CA ALA C 35 13.602 -2.650 -1.537 1.00 0.00 C ATOM 1168 C ALA C 35 13.683 -2.236 -0.086 1.00 0.00 C ATOM 1169 O ALA C 35 13.029 -2.838 0.764 1.00 0.00 O ATOM 1170 CB ALA C 35 14.471 -3.870 -1.759 1.00 0.00 C ATOM 0 H ALA C 35 13.080 -1.290 -3.037 1.00 0.00 H new ATOM 0 HA ALA C 35 12.555 -2.887 -1.725 1.00 0.00 H new ATOM 0 HB1 ALA C 35 14.224 -4.632 -1.020 1.00 0.00 H new ATOM 0 HB2 ALA C 35 14.295 -4.265 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA C 35 15.520 -3.593 -1.658 1.00 0.00 H new ATOM 1176 N GLN C 36 14.469 -1.243 0.203 1.00 0.00 N ATOM 1177 CA GLN C 36 14.686 -0.829 1.565 1.00 0.00 C ATOM 1178 C GLN C 36 15.277 0.535 1.512 1.00 0.00 C ATOM 1179 O GLN C 36 15.970 0.999 2.419 1.00 0.00 O ATOM 1180 CB GLN C 36 15.596 -1.849 2.231 1.00 0.00 C ATOM 1181 CG GLN C 36 14.927 -2.726 3.239 1.00 0.00 C ATOM 1182 CD GLN C 36 15.813 -3.898 3.477 1.00 0.00 C ATOM 1183 OE1 GLN C 36 15.377 -4.979 3.871 1.00 0.00 O ATOM 1184 NE2 GLN C 36 17.075 -3.686 3.165 1.00 0.00 N ATOM 0 H GLN C 36 14.978 -0.696 -0.492 1.00 0.00 H new ATOM 0 HA GLN C 36 13.770 -0.784 2.154 1.00 0.00 H new ATOM 0 HB2 GLN C 36 16.038 -2.479 1.459 1.00 0.00 H new ATOM 0 HB3 GLN C 36 16.415 -1.320 2.718 1.00 0.00 H new ATOM 0 HG2 GLN C 36 14.756 -2.181 4.167 1.00 0.00 H new ATOM 0 HG3 GLN C 36 13.952 -3.051 2.876 1.00 0.00 H new ATOM 0 HE21 GLN C 36 17.373 -2.765 2.844 1.00 0.00 H new ATOM 0 HE22 GLN C 36 17.754 -4.443 3.244 1.00 0.00 H new ATOM 1193 N MET C 37 14.953 1.172 0.412 1.00 0.00 N ATOM 1194 CA MET C 37 15.454 2.472 0.109 1.00 0.00 C ATOM 1195 C MET C 37 14.702 3.517 0.931 1.00 0.00 C ATOM 1196 O MET C 37 15.270 4.134 1.832 1.00 0.00 O ATOM 1197 CB MET C 37 15.324 2.676 -1.376 1.00 0.00 C ATOM 1198 CG MET C 37 15.469 4.098 -1.823 1.00 0.00 C ATOM 1199 SD MET C 37 17.165 4.710 -1.758 1.00 0.00 S ATOM 1200 CE MET C 37 17.946 3.671 -2.992 1.00 0.00 C ATOM 0 H MET C 37 14.328 0.791 -0.298 1.00 0.00 H new ATOM 0 HA MET C 37 16.506 2.576 0.376 1.00 0.00 H new ATOM 0 HB2 MET C 37 16.078 2.071 -1.880 1.00 0.00 H new ATOM 0 HB3 MET C 37 14.351 2.305 -1.697 1.00 0.00 H new ATOM 0 HG2 MET C 37 15.099 4.188 -2.844 1.00 0.00 H new ATOM 0 HG3 MET C 37 14.839 4.732 -1.199 1.00 0.00 H new ATOM 0 HE1 MET C 37 18.844 4.163 -3.366 1.00 0.00 H new ATOM 0 HE2 MET C 37 18.216 2.715 -2.544 1.00 0.00 H new ATOM 0 HE3 MET C 37 17.254 3.503 -3.817 1.00 0.00 H new ATOM 1210 N ASN C 38 13.426 3.706 0.615 1.00 0.00 N ATOM 1211 CA ASN C 38 12.531 4.488 1.396 1.00 0.00 C ATOM 1212 C ASN C 38 11.169 3.812 1.369 1.00 0.00 C ATOM 1213 O ASN C 38 11.073 2.621 1.109 1.00 0.00 O ATOM 1214 CB ASN C 38 12.423 5.878 0.793 1.00 0.00 C ATOM 1215 CG ASN C 38 13.760 6.562 0.599 1.00 0.00 C ATOM 1216 OD1 ASN C 38 14.322 6.545 -0.490 1.00 0.00 O ATOM 1217 ND2 ASN C 38 14.287 7.153 1.651 1.00 0.00 N ATOM 0 H ASN C 38 12.994 3.301 -0.216 1.00 0.00 H new ATOM 0 HA ASN C 38 12.890 4.572 2.422 1.00 0.00 H new ATOM 0 HB2 ASN C 38 11.917 5.809 -0.170 1.00 0.00 H new ATOM 0 HB3 ASN C 38 11.798 6.497 1.437 1.00 0.00 H new ATOM 0 HD21 ASN C 38 15.192 7.617 1.575 1.00 0.00 H new ATOM 0 HD22 ASN C 38 13.790 7.147 2.542 1.00 0.00 H new ATOM 1224 N VAL C 39 10.144 4.602 1.623 1.00 0.00 N ATOM 1225 CA VAL C 39 8.754 4.196 1.649 1.00 0.00 C ATOM 1226 C VAL C 39 8.033 5.251 2.453 1.00 0.00 C ATOM 1227 O VAL C 39 6.823 5.384 2.429 1.00 0.00 O ATOM 1228 CB VAL C 39 8.526 2.821 2.237 1.00 0.00 C ATOM 1229 CG1 VAL C 39 8.536 2.960 3.691 1.00 0.00 C ATOM 1230 CG2 VAL C 39 7.219 2.266 1.738 1.00 0.00 C ATOM 0 H VAL C 39 10.265 5.594 1.827 1.00 0.00 H new ATOM 0 HA VAL C 39 8.380 4.117 0.628 1.00 0.00 H new ATOM 0 HB VAL C 39 9.307 2.123 1.935 1.00 0.00 H new ATOM 0 HG11 VAL C 39 8.374 1.985 4.151 1.00 0.00 H new ATOM 0 HG12 VAL C 39 9.499 3.357 4.012 1.00 0.00 H new ATOM 0 HG13 VAL C 39 7.742 3.642 3.997 1.00 0.00 H new ATOM 0 HG21 VAL C 39 7.058 1.275 2.164 1.00 0.00 H new ATOM 0 HG22 VAL C 39 6.405 2.926 2.038 1.00 0.00 H new ATOM 0 HG23 VAL C 39 7.246 2.194 0.651 1.00 0.00 H new ATOM 1240 N LYS C 40 8.843 6.006 3.164 1.00 0.00 N ATOM 1241 CA LYS C 40 8.422 7.194 3.838 1.00 0.00 C ATOM 1242 C LYS C 40 8.497 8.346 2.859 1.00 0.00 C ATOM 1243 O LYS C 40 7.494 8.865 2.376 1.00 0.00 O ATOM 1244 CB LYS C 40 9.363 7.434 5.023 1.00 0.00 C ATOM 1245 CG LYS C 40 10.031 6.173 5.565 1.00 0.00 C ATOM 1246 CD LYS C 40 11.455 6.013 5.037 1.00 0.00 C ATOM 1247 CE LYS C 40 12.354 7.173 5.448 1.00 0.00 C ATOM 1248 NZ LYS C 40 12.372 7.387 6.920 1.00 0.00 N ATOM 0 H LYS C 40 9.834 5.797 3.286 1.00 0.00 H new ATOM 0 HA LYS C 40 7.400 7.102 4.206 1.00 0.00 H new ATOM 0 HB2 LYS C 40 10.137 8.138 4.719 1.00 0.00 H new ATOM 0 HB3 LYS C 40 8.800 7.907 5.828 1.00 0.00 H new ATOM 0 HG2 LYS C 40 10.049 6.211 6.654 1.00 0.00 H new ATOM 0 HG3 LYS C 40 9.440 5.300 5.287 1.00 0.00 H new ATOM 0 HD2 LYS C 40 11.876 5.079 5.409 1.00 0.00 H new ATOM 0 HD3 LYS C 40 11.432 5.941 3.950 1.00 0.00 H new ATOM 0 HE2 LYS C 40 13.369 6.983 5.100 1.00 0.00 H new ATOM 0 HE3 LYS C 40 12.014 8.084 4.956 1.00 0.00 H new ATOM 0 HZ1 LYS C 40 13.131 8.055 7.164 1.00 0.00 H new ATOM 0 HZ2 LYS C 40 11.457 7.775 7.226 1.00 0.00 H new ATOM 0 HZ3 LYS C 40 12.541 6.480 7.401 1.00 0.00 H new ATOM 1262 N GLU C 41 9.728 8.687 2.557 1.00 0.00 N ATOM 1263 CA GLU C 41 10.082 9.660 1.560 1.00 0.00 C ATOM 1264 C GLU C 41 9.623 9.221 0.173 1.00 0.00 C ATOM 1265 O GLU C 41 9.285 10.048 -0.665 1.00 0.00 O ATOM 1266 CB GLU C 41 11.587 9.821 1.600 1.00 0.00 C ATOM 1267 CG GLU C 41 12.092 10.351 2.930 1.00 0.00 C ATOM 1268 CD GLU C 41 13.587 10.209 3.087 1.00 0.00 C ATOM 1269 OE1 GLU C 41 14.329 11.063 2.564 1.00 0.00 O ATOM 1270 OE2 GLU C 41 14.024 9.234 3.734 1.00 0.00 O ATOM 0 H GLU C 41 10.539 8.276 3.019 1.00 0.00 H new ATOM 0 HA GLU C 41 9.588 10.609 1.769 1.00 0.00 H new ATOM 0 HB2 GLU C 41 12.055 8.858 1.398 1.00 0.00 H new ATOM 0 HB3 GLU C 41 11.896 10.499 0.804 1.00 0.00 H new ATOM 0 HG2 GLU C 41 11.820 11.402 3.024 1.00 0.00 H new ATOM 0 HG3 GLU C 41 11.594 9.819 3.741 1.00 0.00 H new ATOM 1277 N PHE C 42 9.628 7.914 -0.060 1.00 0.00 N ATOM 1278 CA PHE C 42 9.090 7.338 -1.264 1.00 0.00 C ATOM 1279 C PHE C 42 7.626 7.733 -1.402 1.00 0.00 C ATOM 1280 O PHE C 42 7.231 8.285 -2.429 1.00 0.00 O ATOM 1281 CB PHE C 42 9.323 5.833 -1.155 1.00 0.00 C ATOM 1282 CG PHE C 42 8.477 4.915 -1.992 1.00 0.00 C ATOM 1283 CD1 PHE C 42 7.748 5.352 -3.078 1.00 0.00 C ATOM 1284 CD2 PHE C 42 8.432 3.579 -1.656 1.00 0.00 C ATOM 1285 CE1 PHE C 42 6.974 4.468 -3.808 1.00 0.00 C ATOM 1286 CE2 PHE C 42 7.671 2.690 -2.377 1.00 0.00 C ATOM 1287 CZ PHE C 42 6.937 3.133 -3.452 1.00 0.00 C ATOM 0 H PHE C 42 10.010 7.229 0.592 1.00 0.00 H new ATOM 0 HA PHE C 42 9.573 7.700 -2.172 1.00 0.00 H new ATOM 0 HB2 PHE C 42 10.367 5.640 -1.403 1.00 0.00 H new ATOM 0 HB3 PHE C 42 9.186 5.551 -0.111 1.00 0.00 H new ATOM 0 HD1 PHE C 42 7.782 6.394 -3.361 1.00 0.00 H new ATOM 0 HD2 PHE C 42 9.005 3.225 -0.812 1.00 0.00 H new ATOM 0 HE1 PHE C 42 6.401 4.820 -4.653 1.00 0.00 H new ATOM 0 HE2 PHE C 42 7.650 1.646 -2.100 1.00 0.00 H new ATOM 0 HZ PHE C 42 6.333 2.439 -4.017 1.00 0.00 H new ATOM 1297 N LYS C 43 6.835 7.512 -0.360 1.00 0.00 N ATOM 1298 CA LYS C 43 5.449 7.947 -0.392 1.00 0.00 C ATOM 1299 C LYS C 43 5.355 9.471 -0.477 1.00 0.00 C ATOM 1300 O LYS C 43 4.491 10.011 -1.164 1.00 0.00 O ATOM 1301 CB LYS C 43 4.684 7.473 0.833 1.00 0.00 C ATOM 1302 CG LYS C 43 4.408 5.978 0.873 1.00 0.00 C ATOM 1303 CD LYS C 43 3.814 5.573 2.215 1.00 0.00 C ATOM 1304 CE LYS C 43 2.479 6.250 2.463 1.00 0.00 C ATOM 1305 NZ LYS C 43 2.189 6.384 3.911 1.00 0.00 N ATOM 0 H LYS C 43 7.123 7.044 0.500 1.00 0.00 H new ATOM 0 HA LYS C 43 5.001 7.503 -1.281 1.00 0.00 H new ATOM 0 HB2 LYS C 43 5.247 7.748 1.725 1.00 0.00 H new ATOM 0 HB3 LYS C 43 3.734 8.005 0.879 1.00 0.00 H new ATOM 0 HG2 LYS C 43 3.721 5.709 0.070 1.00 0.00 H new ATOM 0 HG3 LYS C 43 5.333 5.428 0.699 1.00 0.00 H new ATOM 0 HD2 LYS C 43 3.685 4.491 2.245 1.00 0.00 H new ATOM 0 HD3 LYS C 43 4.508 5.833 3.014 1.00 0.00 H new ATOM 0 HE2 LYS C 43 2.481 7.237 2.000 1.00 0.00 H new ATOM 0 HE3 LYS C 43 1.686 5.675 1.985 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 1.176 6.221 4.079 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 2.745 5.684 4.443 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 2.443 7.341 4.229 1.00 0.00 H new ATOM 1319 N GLU C 44 6.236 10.151 0.247 1.00 0.00 N ATOM 1320 CA GLU C 44 6.301 11.599 0.244 1.00 0.00 C ATOM 1321 C GLU C 44 6.502 12.141 -1.176 1.00 0.00 C ATOM 1322 O GLU C 44 5.956 13.183 -1.541 1.00 0.00 O ATOM 1323 CB GLU C 44 7.447 12.043 1.135 1.00 0.00 C ATOM 1324 CG GLU C 44 7.250 13.412 1.737 1.00 0.00 C ATOM 1325 CD GLU C 44 8.446 13.872 2.541 1.00 0.00 C ATOM 1326 OE1 GLU C 44 9.385 14.434 1.944 1.00 0.00 O ATOM 1327 OE2 GLU C 44 8.453 13.681 3.775 1.00 0.00 O ATOM 0 H GLU C 44 6.926 9.708 0.853 1.00 0.00 H new ATOM 0 HA GLU C 44 5.358 11.995 0.622 1.00 0.00 H new ATOM 0 HB2 GLU C 44 7.574 11.317 1.938 1.00 0.00 H new ATOM 0 HB3 GLU C 44 8.369 12.040 0.554 1.00 0.00 H new ATOM 0 HG2 GLU C 44 7.054 14.130 0.941 1.00 0.00 H new ATOM 0 HG3 GLU C 44 6.369 13.399 2.378 1.00 0.00 H new ATOM 1334 N HIS C 45 7.281 11.417 -1.975 1.00 0.00 N ATOM 1335 CA HIS C 45 7.569 11.791 -3.337 1.00 0.00 C ATOM 1336 C HIS C 45 6.334 11.666 -4.219 1.00 0.00 C ATOM 1337 O HIS C 45 6.088 12.507 -5.082 1.00 0.00 O ATOM 1338 CB HIS C 45 8.672 10.886 -3.867 1.00 0.00 C ATOM 1339 CG HIS C 45 10.049 11.242 -3.396 1.00 0.00 C ATOM 1340 ND1 HIS C 45 11.046 10.307 -3.215 1.00 0.00 N ATOM 1341 CD2 HIS C 45 10.595 12.436 -3.073 1.00 0.00 C ATOM 1342 CE1 HIS C 45 12.143 10.910 -2.798 1.00 0.00 C ATOM 1343 NE2 HIS C 45 11.896 12.201 -2.704 1.00 0.00 N ATOM 0 H HIS C 45 7.729 10.548 -1.683 1.00 0.00 H new ATOM 0 HA HIS C 45 7.888 12.833 -3.356 1.00 0.00 H new ATOM 0 HB2 HIS C 45 8.455 9.859 -3.572 1.00 0.00 H new ATOM 0 HB3 HIS C 45 8.656 10.915 -4.957 1.00 0.00 H new ATOM 0 HD2 HIS C 45 10.100 13.395 -3.100 1.00 0.00 H new ATOM 0 HE1 HIS C 45 13.083 10.428 -2.572 1.00 0.00 H new ATOM 0 HE2 HIS C 45 12.564 12.911 -2.405 1.00 0.00 H new ATOM 1352 N ILE C 46 5.556 10.614 -4.000 1.00 0.00 N ATOM 1353 CA ILE C 46 4.410 10.344 -4.834 1.00 0.00 C ATOM 1354 C ILE C 46 3.192 11.129 -4.364 1.00 0.00 C ATOM 1355 O ILE C 46 2.204 11.234 -5.092 1.00 0.00 O ATOM 1356 CB ILE C 46 4.081 8.838 -4.851 1.00 0.00 C ATOM 1357 CG1 ILE C 46 3.314 8.419 -3.607 1.00 0.00 C ATOM 1358 CG2 ILE C 46 5.354 8.024 -4.926 1.00 0.00 C ATOM 1359 CD1 ILE C 46 2.661 7.061 -3.745 1.00 0.00 C ATOM 0 H ILE C 46 5.704 9.939 -3.250 1.00 0.00 H new ATOM 0 HA ILE C 46 4.663 10.661 -5.846 1.00 0.00 H new ATOM 0 HB ILE C 46 3.461 8.654 -5.729 1.00 0.00 H new ATOM 0 HG12 ILE C 46 3.994 8.404 -2.755 1.00 0.00 H new ATOM 0 HG13 ILE C 46 2.548 9.164 -3.391 1.00 0.00 H new ATOM 0 HG21 ILE C 46 5.107 6.962 -4.937 1.00 0.00 H new ATOM 0 HG22 ILE C 46 5.896 8.280 -5.836 1.00 0.00 H new ATOM 0 HG23 ILE C 46 5.977 8.242 -4.059 1.00 0.00 H new ATOM 0 HD11 ILE C 46 2.129 6.818 -2.825 1.00 0.00 H new ATOM 0 HD12 ILE C 46 1.957 7.078 -4.577 1.00 0.00 H new ATOM 0 HD13 ILE C 46 3.426 6.307 -3.932 1.00 0.00 H new ATOM 1371 N ALA C 47 3.293 11.688 -3.157 1.00 0.00 N ATOM 1372 CA ALA C 47 2.213 12.437 -2.524 1.00 0.00 C ATOM 1373 C ALA C 47 1.470 13.354 -3.488 1.00 0.00 C ATOM 1374 O ALA C 47 0.260 13.252 -3.616 1.00 0.00 O ATOM 1375 CB ALA C 47 2.762 13.251 -1.366 1.00 0.00 C ATOM 0 H ALA C 47 4.137 11.631 -2.588 1.00 0.00 H new ATOM 0 HA ALA C 47 1.491 11.703 -2.167 1.00 0.00 H new ATOM 0 HB1 ALA C 47 1.951 13.809 -0.897 1.00 0.00 H new ATOM 0 HB2 ALA C 47 3.214 12.582 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA C 47 3.515 13.947 -1.735 1.00 0.00 H new ATOM 1381 N ALA C 48 2.180 14.233 -4.174 1.00 0.00 N ATOM 1382 CA ALA C 48 1.533 15.210 -5.042 1.00 0.00 C ATOM 1383 C ALA C 48 0.851 14.559 -6.236 1.00 0.00 C ATOM 1384 O ALA C 48 -0.261 14.937 -6.602 1.00 0.00 O ATOM 1385 CB ALA C 48 2.528 16.227 -5.532 1.00 0.00 C ATOM 0 H ALA C 48 3.198 14.293 -4.150 1.00 0.00 H new ATOM 0 HA ALA C 48 0.768 15.702 -4.442 1.00 0.00 H new ATOM 0 HB1 ALA C 48 2.025 16.947 -6.178 1.00 0.00 H new ATOM 0 HB2 ALA C 48 2.965 16.748 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA C 48 3.316 15.724 -6.093 1.00 0.00 H new ATOM 1391 N SER C 49 1.517 13.582 -6.838 1.00 0.00 N ATOM 1392 CA SER C 49 1.004 12.914 -8.014 1.00 0.00 C ATOM 1393 C SER C 49 -0.318 12.221 -7.711 1.00 0.00 C ATOM 1394 O SER C 49 -1.194 12.117 -8.565 1.00 0.00 O ATOM 1395 CB SER C 49 2.034 11.910 -8.492 1.00 0.00 C ATOM 1396 OG SER C 49 3.130 11.841 -7.591 1.00 0.00 O ATOM 0 H SER C 49 2.423 13.236 -6.522 1.00 0.00 H new ATOM 0 HA SER C 49 0.817 13.650 -8.796 1.00 0.00 H new ATOM 0 HB2 SER C 49 1.573 10.927 -8.586 1.00 0.00 H new ATOM 0 HB3 SER C 49 2.390 12.192 -9.483 1.00 0.00 H new ATOM 0 HG SER C 49 2.827 11.472 -6.735 1.00 0.00 H new ATOM 1402 N VAL C 50 -0.455 11.763 -6.479 1.00 0.00 N ATOM 1403 CA VAL C 50 -1.671 11.107 -6.043 1.00 0.00 C ATOM 1404 C VAL C 50 -2.524 12.043 -5.198 1.00 0.00 C ATOM 1405 O VAL C 50 -3.599 11.659 -4.748 1.00 0.00 O ATOM 1406 CB VAL C 50 -1.363 9.815 -5.261 1.00 0.00 C ATOM 1407 CG1 VAL C 50 -0.700 8.799 -6.178 1.00 0.00 C ATOM 1408 CG2 VAL C 50 -0.476 10.103 -4.058 1.00 0.00 C ATOM 0 H VAL C 50 0.266 11.835 -5.761 1.00 0.00 H new ATOM 0 HA VAL C 50 -2.233 10.838 -6.937 1.00 0.00 H new ATOM 0 HB VAL C 50 -2.303 9.403 -4.894 1.00 0.00 H new ATOM 0 HG11 VAL C 50 -0.486 7.889 -5.618 1.00 0.00 H new ATOM 0 HG12 VAL C 50 -1.369 8.566 -7.007 1.00 0.00 H new ATOM 0 HG13 VAL C 50 0.230 9.213 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL C 50 -0.274 9.174 -3.524 1.00 0.00 H new ATOM 0 HG22 VAL C 50 0.464 10.539 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL C 50 -0.982 10.802 -3.392 1.00 0.00 H new ATOM 1418 N SER C 51 -2.012 13.262 -4.965 1.00 0.00 N ATOM 1419 CA SER C 51 -2.720 14.314 -4.240 1.00 0.00 C ATOM 1420 C SER C 51 -2.971 13.864 -2.815 1.00 0.00 C ATOM 1421 O SER C 51 -3.875 14.347 -2.131 1.00 0.00 O ATOM 1422 CB SER C 51 -4.021 14.734 -4.951 1.00 0.00 C ATOM 1423 OG SER C 51 -5.016 13.721 -4.928 1.00 0.00 O ATOM 0 H SER C 51 -1.083 13.542 -5.281 1.00 0.00 H new ATOM 0 HA SER C 51 -2.092 15.205 -4.219 1.00 0.00 H new ATOM 0 HB2 SER C 51 -4.414 15.633 -4.477 1.00 0.00 H new ATOM 0 HB3 SER C 51 -3.796 14.992 -5.986 1.00 0.00 H new ATOM 0 HG SER C 51 -4.648 12.910 -4.519 1.00 0.00 H new ATOM 1429 N ILE C 52 -2.139 12.933 -2.378 1.00 0.00 N ATOM 1430 CA ILE C 52 -2.241 12.392 -1.052 1.00 0.00 C ATOM 1431 C ILE C 52 -0.885 12.409 -0.355 1.00 0.00 C ATOM 1432 O ILE C 52 0.032 11.697 -0.762 1.00 0.00 O ATOM 1433 CB ILE C 52 -2.759 10.941 -1.047 1.00 0.00 C ATOM 1434 CG1 ILE C 52 -4.082 10.813 -1.797 1.00 0.00 C ATOM 1435 CG2 ILE C 52 -2.943 10.490 0.389 1.00 0.00 C ATOM 1436 CD1 ILE C 52 -5.276 11.187 -0.949 1.00 0.00 C ATOM 0 H ILE C 52 -1.381 12.539 -2.936 1.00 0.00 H new ATOM 0 HA ILE C 52 -2.954 13.025 -0.523 1.00 0.00 H new ATOM 0 HB ILE C 52 -2.027 10.312 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE C 52 -4.056 11.450 -2.681 1.00 0.00 H new ATOM 0 HG13 ILE C 52 -4.198 9.787 -2.147 1.00 0.00 H new ATOM 0 HG21 ILE C 52 -3.310 9.464 0.404 1.00 0.00 H new ATOM 0 HG22 ILE C 52 -1.988 10.542 0.912 1.00 0.00 H new ATOM 0 HG23 ILE C 52 -3.664 11.140 0.885 1.00 0.00 H new ATOM 0 HD11 ILE C 52 -6.188 11.076 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE C 52 -5.323 10.533 -0.078 1.00 0.00 H new ATOM 0 HD13 ILE C 52 -5.179 12.222 -0.621 1.00 0.00 H new ATOM 1448 N PRO C 53 -0.751 13.188 0.724 1.00 0.00 N ATOM 1449 CA PRO C 53 0.495 13.275 1.473 1.00 0.00 C ATOM 1450 C PRO C 53 0.776 11.984 2.214 1.00 0.00 C ATOM 1451 O PRO C 53 -0.144 11.312 2.657 1.00 0.00 O ATOM 1452 CB PRO C 53 0.270 14.398 2.464 1.00 0.00 C ATOM 1453 CG PRO C 53 -1.073 14.985 2.173 1.00 0.00 C ATOM 1454 CD PRO C 53 -1.815 13.996 1.324 1.00 0.00 C ATOM 0 HA PRO C 53 1.348 13.453 0.818 1.00 0.00 H new ATOM 0 HB2 PRO C 53 0.312 14.022 3.486 1.00 0.00 H new ATOM 0 HB3 PRO C 53 1.049 15.155 2.370 1.00 0.00 H new ATOM 0 HG2 PRO C 53 -1.615 15.182 3.098 1.00 0.00 H new ATOM 0 HG3 PRO C 53 -0.972 15.938 1.654 1.00 0.00 H new ATOM 0 HD2 PRO C 53 -2.494 13.386 1.920 1.00 0.00 H new ATOM 0 HD3 PRO C 53 -2.418 14.493 0.564 1.00 0.00 H new ATOM 1462 N SER C 54 2.060 11.659 2.346 1.00 0.00 N ATOM 1463 CA SER C 54 2.513 10.415 2.973 1.00 0.00 C ATOM 1464 C SER C 54 1.876 10.199 4.347 1.00 0.00 C ATOM 1465 O SER C 54 1.739 9.059 4.795 1.00 0.00 O ATOM 1466 CB SER C 54 4.045 10.411 3.092 1.00 0.00 C ATOM 1467 OG SER C 54 4.519 9.212 3.685 1.00 0.00 O ATOM 0 H SER C 54 2.822 12.254 2.020 1.00 0.00 H new ATOM 0 HA SER C 54 2.196 9.591 2.334 1.00 0.00 H new ATOM 0 HB2 SER C 54 4.488 10.528 2.103 1.00 0.00 H new ATOM 0 HB3 SER C 54 4.367 11.265 3.689 1.00 0.00 H new ATOM 0 HG SER C 54 5.496 9.176 3.615 1.00 0.00 H new ATOM 1473 N GLU C 55 1.479 11.286 5.003 1.00 0.00 N ATOM 1474 CA GLU C 55 0.831 11.194 6.308 1.00 0.00 C ATOM 1475 C GLU C 55 -0.585 10.614 6.195 1.00 0.00 C ATOM 1476 O GLU C 55 -1.028 9.866 7.067 1.00 0.00 O ATOM 1477 CB GLU C 55 0.786 12.561 6.979 1.00 0.00 C ATOM 1478 CG GLU C 55 0.105 13.592 6.148 1.00 0.00 C ATOM 1479 CD GLU C 55 -0.034 14.927 6.840 1.00 0.00 C ATOM 1480 OE1 GLU C 55 0.947 15.697 6.864 1.00 0.00 O ATOM 1481 OE2 GLU C 55 -1.128 15.216 7.365 1.00 0.00 O ATOM 0 H GLU C 55 1.594 12.237 4.654 1.00 0.00 H new ATOM 0 HA GLU C 55 1.423 10.516 6.922 1.00 0.00 H new ATOM 0 HB2 GLU C 55 0.271 12.474 7.935 1.00 0.00 H new ATOM 0 HB3 GLU C 55 1.803 12.888 7.194 1.00 0.00 H new ATOM 0 HG2 GLU C 55 0.664 13.728 5.222 1.00 0.00 H new ATOM 0 HG3 GLU C 55 -0.885 13.229 5.873 1.00 0.00 H new ATOM 1488 N LYS C 56 -1.285 10.956 5.119 1.00 0.00 N ATOM 1489 CA LYS C 56 -2.652 10.481 4.900 1.00 0.00 C ATOM 1490 C LYS C 56 -2.653 9.285 3.954 1.00 0.00 C ATOM 1491 O LYS C 56 -3.546 8.437 3.993 1.00 0.00 O ATOM 1492 CB LYS C 56 -3.521 11.596 4.300 1.00 0.00 C ATOM 1493 CG LYS C 56 -3.695 12.812 5.196 1.00 0.00 C ATOM 1494 CD LYS C 56 -4.647 13.824 4.572 1.00 0.00 C ATOM 1495 CE LYS C 56 -4.821 15.049 5.455 1.00 0.00 C ATOM 1496 NZ LYS C 56 -5.772 16.030 4.869 1.00 0.00 N ATOM 0 H LYS C 56 -0.929 11.563 4.380 1.00 0.00 H new ATOM 0 HA LYS C 56 -3.063 10.183 5.864 1.00 0.00 H new ATOM 0 HB2 LYS C 56 -3.079 11.916 3.357 1.00 0.00 H new ATOM 0 HB3 LYS C 56 -4.505 11.188 4.068 1.00 0.00 H new ATOM 0 HG2 LYS C 56 -4.078 12.499 6.167 1.00 0.00 H new ATOM 0 HG3 LYS C 56 -2.726 13.280 5.371 1.00 0.00 H new ATOM 0 HD2 LYS C 56 -4.266 14.129 3.597 1.00 0.00 H new ATOM 0 HD3 LYS C 56 -5.617 13.356 4.403 1.00 0.00 H new ATOM 0 HE2 LYS C 56 -5.179 14.740 6.437 1.00 0.00 H new ATOM 0 HE3 LYS C 56 -3.853 15.528 5.605 1.00 0.00 H new ATOM 0 HZ1 LYS C 56 -5.861 16.849 5.504 1.00 0.00 H new ATOM 0 HZ2 LYS C 56 -5.419 16.346 3.943 1.00 0.00 H new ATOM 0 HZ3 LYS C 56 -6.703 15.582 4.750 1.00 0.00 H new ATOM 1510 N GLN C 57 -1.644 9.249 3.100 1.00 0.00 N ATOM 1511 CA GLN C 57 -1.515 8.239 2.061 1.00 0.00 C ATOM 1512 C GLN C 57 -1.237 6.868 2.657 1.00 0.00 C ATOM 1513 O GLN C 57 -0.419 6.736 3.564 1.00 0.00 O ATOM 1514 CB GLN C 57 -0.362 8.625 1.125 1.00 0.00 C ATOM 1515 CG GLN C 57 -0.036 7.580 0.081 1.00 0.00 C ATOM 1516 CD GLN C 57 1.313 7.805 -0.568 1.00 0.00 C ATOM 1517 OE1 GLN C 57 2.003 6.848 -0.890 1.00 0.00 O ATOM 1518 NE2 GLN C 57 1.694 9.061 -0.790 1.00 0.00 N ATOM 0 H GLN C 57 -0.882 9.927 3.108 1.00 0.00 H new ATOM 0 HA GLN C 57 -2.454 8.190 1.510 1.00 0.00 H new ATOM 0 HB2 GLN C 57 -0.614 9.559 0.622 1.00 0.00 H new ATOM 0 HB3 GLN C 57 0.529 8.815 1.723 1.00 0.00 H new ATOM 0 HG2 GLN C 57 -0.052 6.593 0.543 1.00 0.00 H new ATOM 0 HG3 GLN C 57 -0.810 7.585 -0.687 1.00 0.00 H new ATOM 0 HE21 GLN C 57 1.092 9.834 -0.507 1.00 0.00 H new ATOM 0 HE22 GLN C 57 2.588 9.250 -1.243 1.00 0.00 H new ATOM 1527 N ARG C 58 -1.909 5.851 2.143 1.00 0.00 N ATOM 1528 CA ARG C 58 -1.602 4.470 2.537 1.00 0.00 C ATOM 1529 C ARG C 58 -1.597 3.535 1.328 1.00 0.00 C ATOM 1530 O ARG C 58 -2.458 3.634 0.448 1.00 0.00 O ATOM 1531 CB ARG C 58 -2.575 3.950 3.604 1.00 0.00 C ATOM 1532 CG ARG C 58 -2.500 4.704 4.927 1.00 0.00 C ATOM 1533 CD ARG C 58 -3.451 4.120 5.958 1.00 0.00 C ATOM 1534 NE ARG C 58 -4.828 4.105 5.475 1.00 0.00 N ATOM 1535 CZ ARG C 58 -5.612 3.029 5.488 1.00 0.00 C ATOM 1536 NH1 ARG C 58 -5.199 1.899 6.051 1.00 0.00 N ATOM 1537 NH2 ARG C 58 -6.822 3.091 4.958 1.00 0.00 N ATOM 0 H ARG C 58 -2.662 5.944 1.461 1.00 0.00 H new ATOM 0 HA ARG C 58 -0.602 4.482 2.971 1.00 0.00 H new ATOM 0 HB2 ARG C 58 -3.592 4.015 3.217 1.00 0.00 H new ATOM 0 HB3 ARG C 58 -2.370 2.895 3.786 1.00 0.00 H new ATOM 0 HG2 ARG C 58 -1.480 4.668 5.310 1.00 0.00 H new ATOM 0 HG3 ARG C 58 -2.741 5.754 4.762 1.00 0.00 H new ATOM 0 HD2 ARG C 58 -3.141 3.105 6.205 1.00 0.00 H new ATOM 0 HD3 ARG C 58 -3.394 4.703 6.877 1.00 0.00 H new ATOM 0 HE ARG C 58 -5.214 4.973 5.104 1.00 0.00 H new ATOM 0 HH11 ARG C 58 -4.274 1.850 6.478 1.00 0.00 H new ATOM 0 HH12 ARG C 58 -5.807 1.080 6.056 1.00 0.00 H new ATOM 0 HH21 ARG C 58 -7.152 3.961 4.541 1.00 0.00 H new ATOM 0 HH22 ARG C 58 -7.425 2.268 4.966 1.00 0.00 H new ATOM 1551 N LEU C 59 -0.605 2.646 1.290 1.00 0.00 N ATOM 1552 CA LEU C 59 -0.427 1.695 0.211 1.00 0.00 C ATOM 1553 C LEU C 59 -1.047 0.340 0.567 1.00 0.00 C ATOM 1554 O LEU C 59 -0.708 -0.223 1.588 1.00 0.00 O ATOM 1555 CB LEU C 59 1.071 1.502 0.025 1.00 0.00 C ATOM 1556 CG LEU C 59 1.893 2.767 -0.217 1.00 0.00 C ATOM 1557 CD1 LEU C 59 3.377 2.452 -0.102 1.00 0.00 C ATOM 1558 CD2 LEU C 59 1.578 3.353 -1.584 1.00 0.00 C ATOM 0 H LEU C 59 0.103 2.571 2.021 1.00 0.00 H new ATOM 0 HA LEU C 59 -0.909 2.070 -0.692 1.00 0.00 H new ATOM 0 HB2 LEU C 59 1.464 1.003 0.911 1.00 0.00 H new ATOM 0 HB3 LEU C 59 1.227 0.827 -0.816 1.00 0.00 H new ATOM 0 HG LEU C 59 1.631 3.506 0.540 1.00 0.00 H new ATOM 0 HD11 LEU C 59 3.956 3.359 -0.276 1.00 0.00 H new ATOM 0 HD12 LEU C 59 3.592 2.070 0.896 1.00 0.00 H new ATOM 0 HD13 LEU C 59 3.648 1.701 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU C 59 2.172 4.253 -1.740 1.00 0.00 H new ATOM 0 HD22 LEU C 59 1.817 2.622 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU C 59 0.519 3.604 -1.637 1.00 0.00 H new ATOM 1570 N ILE C 60 -1.962 -0.184 -0.236 1.00 0.00 N ATOM 1571 CA ILE C 60 -2.398 -1.565 -0.041 1.00 0.00 C ATOM 1572 C ILE C 60 -1.965 -2.452 -1.199 1.00 0.00 C ATOM 1573 O ILE C 60 -2.309 -2.203 -2.354 1.00 0.00 O ATOM 1574 CB ILE C 60 -3.916 -1.675 0.097 1.00 0.00 C ATOM 1575 CG1 ILE C 60 -4.449 -0.586 1.012 1.00 0.00 C ATOM 1576 CG2 ILE C 60 -4.287 -3.047 0.644 1.00 0.00 C ATOM 1577 CD1 ILE C 60 -5.928 -0.381 0.851 1.00 0.00 C ATOM 0 H ILE C 60 -2.409 0.308 -1.010 1.00 0.00 H new ATOM 0 HA ILE C 60 -1.926 -1.898 0.883 1.00 0.00 H new ATOM 0 HB ILE C 60 -4.367 -1.548 -0.887 1.00 0.00 H new ATOM 0 HG12 ILE C 60 -4.231 -0.846 2.048 1.00 0.00 H new ATOM 0 HG13 ILE C 60 -3.930 0.349 0.802 1.00 0.00 H new ATOM 0 HG21 ILE C 60 -5.370 -3.120 0.740 1.00 0.00 H new ATOM 0 HG22 ILE C 60 -3.931 -3.819 -0.038 1.00 0.00 H new ATOM 0 HG23 ILE C 60 -3.826 -3.186 1.622 1.00 0.00 H new ATOM 0 HD11 ILE C 60 -6.262 0.407 1.526 1.00 0.00 H new ATOM 0 HD12 ILE C 60 -6.146 -0.094 -0.178 1.00 0.00 H new ATOM 0 HD13 ILE C 60 -6.452 -1.307 1.088 1.00 0.00 H new ATOM 1589 N TYR C 61 -1.217 -3.489 -0.880 1.00 0.00 N ATOM 1590 CA TYR C 61 -0.788 -4.461 -1.868 1.00 0.00 C ATOM 1591 C TYR C 61 -1.131 -5.862 -1.388 1.00 0.00 C ATOM 1592 O TYR C 61 -0.670 -6.285 -0.332 1.00 0.00 O ATOM 1593 CB TYR C 61 0.713 -4.344 -2.125 1.00 0.00 C ATOM 1594 CG TYR C 61 1.195 -5.321 -3.159 1.00 0.00 C ATOM 1595 CD1 TYR C 61 0.611 -5.348 -4.409 1.00 0.00 C ATOM 1596 CD2 TYR C 61 2.216 -6.221 -2.885 1.00 0.00 C ATOM 1597 CE1 TYR C 61 1.019 -6.243 -5.362 1.00 0.00 C ATOM 1598 CE2 TYR C 61 2.640 -7.121 -3.840 1.00 0.00 C ATOM 1599 CZ TYR C 61 2.038 -7.131 -5.077 1.00 0.00 C ATOM 1600 OH TYR C 61 2.451 -8.033 -6.031 1.00 0.00 O ATOM 0 H TYR C 61 -0.890 -3.682 0.067 1.00 0.00 H new ATOM 0 HA TYR C 61 -1.310 -4.263 -2.804 1.00 0.00 H new ATOM 0 HB2 TYR C 61 0.945 -3.330 -2.451 1.00 0.00 H new ATOM 0 HB3 TYR C 61 1.253 -4.510 -1.193 1.00 0.00 H new ATOM 0 HD1 TYR C 61 -0.181 -4.651 -4.640 1.00 0.00 H new ATOM 0 HD2 TYR C 61 2.684 -6.216 -1.912 1.00 0.00 H new ATOM 0 HE1 TYR C 61 0.546 -6.254 -6.333 1.00 0.00 H new ATOM 0 HE2 TYR C 61 3.439 -7.813 -3.618 1.00 0.00 H new ATOM 0 HH TYR C 61 3.177 -8.583 -5.669 1.00 0.00 H new ATOM 1610 N GLN C 62 -1.964 -6.560 -2.157 1.00 0.00 N ATOM 1611 CA GLN C 62 -2.417 -7.904 -1.800 1.00 0.00 C ATOM 1612 C GLN C 62 -3.124 -7.886 -0.444 1.00 0.00 C ATOM 1613 O GLN C 62 -2.977 -8.804 0.362 1.00 0.00 O ATOM 1614 CB GLN C 62 -1.245 -8.900 -1.771 1.00 0.00 C ATOM 1615 CG GLN C 62 -0.417 -8.933 -3.047 1.00 0.00 C ATOM 1616 CD GLN C 62 0.640 -10.012 -3.028 1.00 0.00 C ATOM 1617 OE1 GLN C 62 1.754 -9.807 -2.547 1.00 0.00 O ATOM 1618 NE2 GLN C 62 0.311 -11.159 -3.582 1.00 0.00 N ATOM 0 H GLN C 62 -2.342 -6.214 -3.039 1.00 0.00 H new ATOM 0 HA GLN C 62 -3.121 -8.231 -2.565 1.00 0.00 H new ATOM 0 HB2 GLN C 62 -0.592 -8.650 -0.935 1.00 0.00 H new ATOM 0 HB3 GLN C 62 -1.638 -9.899 -1.581 1.00 0.00 H new ATOM 0 HG2 GLN C 62 -1.077 -9.092 -3.900 1.00 0.00 H new ATOM 0 HG3 GLN C 62 0.061 -7.964 -3.190 1.00 0.00 H new ATOM 0 HE21 GLN C 62 -0.624 -11.289 -3.969 1.00 0.00 H new ATOM 0 HE22 GLN C 62 0.990 -11.919 -3.624 1.00 0.00 H new ATOM 1627 N GLY C 63 -3.877 -6.821 -0.189 1.00 0.00 N ATOM 1628 CA GLY C 63 -4.601 -6.698 1.065 1.00 0.00 C ATOM 1629 C GLY C 63 -3.720 -6.219 2.208 1.00 0.00 C ATOM 1630 O GLY C 63 -4.206 -5.968 3.312 1.00 0.00 O ATOM 0 H GLY C 63 -4.000 -6.038 -0.831 1.00 0.00 H new ATOM 0 HA2 GLY C 63 -5.430 -6.002 0.934 1.00 0.00 H new ATOM 0 HA3 GLY C 63 -5.034 -7.664 1.326 1.00 0.00 H new ATOM 1634 N ARG C 64 -2.427 -6.083 1.938 1.00 0.00 N ATOM 1635 CA ARG C 64 -1.461 -5.681 2.951 1.00 0.00 C ATOM 1636 C ARG C 64 -1.302 -4.172 2.916 1.00 0.00 C ATOM 1637 O ARG C 64 -1.017 -3.600 1.866 1.00 0.00 O ATOM 1638 CB ARG C 64 -0.109 -6.357 2.690 1.00 0.00 C ATOM 1639 CG ARG C 64 0.861 -6.322 3.867 1.00 0.00 C ATOM 1640 CD ARG C 64 0.424 -7.245 4.997 1.00 0.00 C ATOM 1641 NE ARG C 64 -0.722 -6.724 5.738 1.00 0.00 N ATOM 1642 CZ ARG C 64 -1.768 -7.458 6.113 1.00 0.00 C ATOM 1643 NH1 ARG C 64 -1.857 -8.737 5.770 1.00 0.00 N ATOM 1644 NH2 ARG C 64 -2.733 -6.913 6.838 1.00 0.00 N ATOM 0 H ARG C 64 -2.021 -6.247 1.017 1.00 0.00 H new ATOM 0 HA ARG C 64 -1.818 -5.988 3.934 1.00 0.00 H new ATOM 0 HB2 ARG C 64 -0.286 -7.396 2.414 1.00 0.00 H new ATOM 0 HB3 ARG C 64 0.363 -5.875 1.834 1.00 0.00 H new ATOM 0 HG2 ARG C 64 1.855 -6.612 3.526 1.00 0.00 H new ATOM 0 HG3 ARG C 64 0.938 -5.302 4.242 1.00 0.00 H new ATOM 0 HD2 ARG C 64 0.172 -8.222 4.586 1.00 0.00 H new ATOM 0 HD3 ARG C 64 1.258 -7.393 5.683 1.00 0.00 H new ATOM 0 HE ARG C 64 -0.721 -5.734 5.984 1.00 0.00 H new ATOM 0 HH11 ARG C 64 -1.119 -9.168 5.213 1.00 0.00 H new ATOM 0 HH12 ARG C 64 -2.663 -9.289 6.063 1.00 0.00 H new ATOM 0 HH21 ARG C 64 -2.675 -5.931 7.109 1.00 0.00 H new ATOM 0 HH22 ARG C 64 -3.534 -7.475 7.125 1.00 0.00 H new ATOM 1658 N VAL C 65 -1.483 -3.529 4.054 1.00 0.00 N ATOM 1659 CA VAL C 65 -1.464 -2.081 4.109 1.00 0.00 C ATOM 1660 C VAL C 65 -0.062 -1.576 4.426 1.00 0.00 C ATOM 1661 O VAL C 65 0.317 -1.422 5.589 1.00 0.00 O ATOM 1662 CB VAL C 65 -2.467 -1.548 5.149 1.00 0.00 C ATOM 1663 CG1 VAL C 65 -3.040 -0.214 4.698 1.00 0.00 C ATOM 1664 CG2 VAL C 65 -3.569 -2.567 5.412 1.00 0.00 C ATOM 0 H VAL C 65 -1.645 -3.986 4.951 1.00 0.00 H new ATOM 0 HA VAL C 65 -1.761 -1.708 3.129 1.00 0.00 H new ATOM 0 HB VAL C 65 -1.939 -1.386 6.089 1.00 0.00 H new ATOM 0 HG11 VAL C 65 -3.747 0.149 5.444 1.00 0.00 H new ATOM 0 HG12 VAL C 65 -2.232 0.508 4.582 1.00 0.00 H new ATOM 0 HG13 VAL C 65 -3.552 -0.342 3.744 1.00 0.00 H new ATOM 0 HG21 VAL C 65 -4.265 -2.168 6.150 1.00 0.00 H new ATOM 0 HG22 VAL C 65 -4.103 -2.774 4.484 1.00 0.00 H new ATOM 0 HG23 VAL C 65 -3.129 -3.490 5.790 1.00 0.00 H new ATOM 1674 N LEU C 66 0.697 -1.335 3.368 1.00 0.00 N ATOM 1675 CA LEU C 66 2.069 -0.872 3.465 1.00 0.00 C ATOM 1676 C LEU C 66 2.090 0.577 3.907 1.00 0.00 C ATOM 1677 O LEU C 66 1.142 1.330 3.662 1.00 0.00 O ATOM 1678 CB LEU C 66 2.788 -0.986 2.119 1.00 0.00 C ATOM 1679 CG LEU C 66 2.099 -1.832 1.045 1.00 0.00 C ATOM 1680 CD1 LEU C 66 2.823 -1.661 -0.274 1.00 0.00 C ATOM 1681 CD2 LEU C 66 2.055 -3.303 1.441 1.00 0.00 C ATOM 0 H LEU C 66 0.372 -1.457 2.409 1.00 0.00 H new ATOM 0 HA LEU C 66 2.583 -1.499 4.194 1.00 0.00 H new ATOM 0 HB2 LEU C 66 2.930 0.019 1.722 1.00 0.00 H new ATOM 0 HB3 LEU C 66 3.780 -1.402 2.296 1.00 0.00 H new ATOM 0 HG LEU C 66 1.070 -1.489 0.942 1.00 0.00 H new ATOM 0 HD11 LEU C 66 2.333 -2.263 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU C 66 2.800 -0.612 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU C 66 3.858 -1.985 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU C 66 1.560 -3.876 0.657 1.00 0.00 H new ATOM 0 HD22 LEU C 66 3.071 -3.674 1.575 1.00 0.00 H new ATOM 0 HD23 LEU C 66 1.503 -3.412 2.374 1.00 0.00 H new ATOM 1693 N GLN C 67 3.180 0.983 4.526 1.00 0.00 N ATOM 1694 CA GLN C 67 3.250 2.304 5.101 1.00 0.00 C ATOM 1695 C GLN C 67 4.691 2.813 5.144 1.00 0.00 C ATOM 1696 O GLN C 67 5.589 2.196 4.578 1.00 0.00 O ATOM 1697 CB GLN C 67 2.644 2.258 6.506 1.00 0.00 C ATOM 1698 CG GLN C 67 3.180 1.118 7.359 1.00 0.00 C ATOM 1699 CD GLN C 67 2.385 0.911 8.631 1.00 0.00 C ATOM 1700 OE1 GLN C 67 2.677 1.510 9.665 1.00 0.00 O ATOM 1701 NE2 GLN C 67 1.370 0.061 8.563 1.00 0.00 N ATOM 0 H GLN C 67 4.022 0.419 4.642 1.00 0.00 H new ATOM 0 HA GLN C 67 2.685 2.999 4.480 1.00 0.00 H new ATOM 0 HB2 GLN C 67 2.843 3.204 7.010 1.00 0.00 H new ATOM 0 HB3 GLN C 67 1.561 2.162 6.424 1.00 0.00 H new ATOM 0 HG2 GLN C 67 3.169 0.198 6.775 1.00 0.00 H new ATOM 0 HG3 GLN C 67 4.220 1.320 7.615 1.00 0.00 H new ATOM 0 HE21 GLN C 67 1.162 -0.415 7.685 1.00 0.00 H new ATOM 0 HE22 GLN C 67 0.797 -0.117 9.388 1.00 0.00 H new ATOM 1710 N ASP C 68 4.898 3.931 5.829 1.00 0.00 N ATOM 1711 CA ASP C 68 6.208 4.550 5.966 1.00 0.00 C ATOM 1712 C ASP C 68 7.152 3.718 6.849 1.00 0.00 C ATOM 1713 O ASP C 68 8.314 4.075 7.035 1.00 0.00 O ATOM 1714 CB ASP C 68 6.061 5.966 6.542 1.00 0.00 C ATOM 1715 CG ASP C 68 5.393 5.970 7.904 1.00 0.00 C ATOM 1716 OD1 ASP C 68 4.156 5.808 7.961 1.00 0.00 O ATOM 1717 OD2 ASP C 68 6.101 6.131 8.920 1.00 0.00 O ATOM 0 H ASP C 68 4.154 4.437 6.309 1.00 0.00 H new ATOM 0 HA ASP C 68 6.652 4.602 4.972 1.00 0.00 H new ATOM 0 HB2 ASP C 68 7.046 6.427 6.622 1.00 0.00 H new ATOM 0 HB3 ASP C 68 5.478 6.577 5.853 1.00 0.00 H new ATOM 1722 N ASP C 69 6.640 2.613 7.386 1.00 0.00 N ATOM 1723 CA ASP C 69 7.374 1.762 8.339 1.00 0.00 C ATOM 1724 C ASP C 69 8.635 1.136 7.730 1.00 0.00 C ATOM 1725 O ASP C 69 9.452 0.550 8.444 1.00 0.00 O ATOM 1726 CB ASP C 69 6.448 0.653 8.831 1.00 0.00 C ATOM 1727 CG ASP C 69 7.012 -0.123 10.006 1.00 0.00 C ATOM 1728 OD1 ASP C 69 6.874 0.348 11.155 1.00 0.00 O ATOM 1729 OD2 ASP C 69 7.576 -1.219 9.789 1.00 0.00 O ATOM 0 H ASP C 69 5.701 2.275 7.176 1.00 0.00 H new ATOM 0 HA ASP C 69 7.697 2.398 9.163 1.00 0.00 H new ATOM 0 HB2 ASP C 69 5.491 1.089 9.118 1.00 0.00 H new ATOM 0 HB3 ASP C 69 6.251 -0.037 8.010 1.00 0.00 H new ATOM 1734 N LYS C 70 8.774 1.270 6.414 1.00 0.00 N ATOM 1735 CA LYS C 70 9.923 0.751 5.657 1.00 0.00 C ATOM 1736 C LYS C 70 9.822 -0.753 5.431 1.00 0.00 C ATOM 1737 O LYS C 70 8.814 -1.375 5.773 1.00 0.00 O ATOM 1738 CB LYS C 70 11.255 1.096 6.341 1.00 0.00 C ATOM 1739 CG LYS C 70 11.473 2.588 6.529 1.00 0.00 C ATOM 1740 CD LYS C 70 12.871 2.888 7.054 1.00 0.00 C ATOM 1741 CE LYS C 70 13.081 2.316 8.447 1.00 0.00 C ATOM 1742 NZ LYS C 70 14.458 2.561 8.947 1.00 0.00 N ATOM 0 H LYS C 70 8.087 1.747 5.831 1.00 0.00 H new ATOM 0 HA LYS C 70 9.900 1.242 4.684 1.00 0.00 H new ATOM 0 HB2 LYS C 70 11.292 0.606 7.314 1.00 0.00 H new ATOM 0 HB3 LYS C 70 12.074 0.689 5.748 1.00 0.00 H new ATOM 0 HG2 LYS C 70 11.323 3.101 5.579 1.00 0.00 H new ATOM 0 HG3 LYS C 70 10.731 2.980 7.224 1.00 0.00 H new ATOM 0 HD2 LYS C 70 13.613 2.471 6.373 1.00 0.00 H new ATOM 0 HD3 LYS C 70 13.029 3.966 7.075 1.00 0.00 H new ATOM 0 HE2 LYS C 70 12.361 2.761 9.134 1.00 0.00 H new ATOM 0 HE3 LYS C 70 12.886 1.244 8.432 1.00 0.00 H new ATOM 0 HZ1 LYS C 70 14.559 2.155 9.899 1.00 0.00 H new ATOM 0 HZ2 LYS C 70 15.145 2.115 8.306 1.00 0.00 H new ATOM 0 HZ3 LYS C 70 14.636 3.585 8.986 1.00 0.00 H new ATOM 1756 N LYS C 71 10.879 -1.311 4.830 1.00 0.00 N ATOM 1757 CA LYS C 71 10.969 -2.738 4.508 1.00 0.00 C ATOM 1758 C LYS C 71 10.094 -3.074 3.300 1.00 0.00 C ATOM 1759 O LYS C 71 9.090 -3.776 3.412 1.00 0.00 O ATOM 1760 CB LYS C 71 10.594 -3.616 5.712 1.00 0.00 C ATOM 1761 CG LYS C 71 11.461 -3.392 6.944 1.00 0.00 C ATOM 1762 CD LYS C 71 12.921 -3.724 6.677 1.00 0.00 C ATOM 1763 CE LYS C 71 13.775 -3.528 7.921 1.00 0.00 C ATOM 1764 NZ LYS C 71 13.407 -4.473 9.009 1.00 0.00 N ATOM 0 H LYS C 71 11.703 -0.779 4.551 1.00 0.00 H new ATOM 0 HA LYS C 71 12.007 -2.954 4.256 1.00 0.00 H new ATOM 0 HB2 LYS C 71 9.553 -3.427 5.975 1.00 0.00 H new ATOM 0 HB3 LYS C 71 10.663 -4.664 5.419 1.00 0.00 H new ATOM 0 HG2 LYS C 71 11.377 -2.353 7.263 1.00 0.00 H new ATOM 0 HG3 LYS C 71 11.093 -4.008 7.764 1.00 0.00 H new ATOM 0 HD2 LYS C 71 13.004 -4.756 6.337 1.00 0.00 H new ATOM 0 HD3 LYS C 71 13.298 -3.092 5.873 1.00 0.00 H new ATOM 0 HE2 LYS C 71 14.825 -3.664 7.664 1.00 0.00 H new ATOM 0 HE3 LYS C 71 13.664 -2.504 8.278 1.00 0.00 H new ATOM 0 HZ1 LYS C 71 14.134 -4.447 9.752 1.00 0.00 H new ATOM 0 HZ2 LYS C 71 12.489 -4.197 9.413 1.00 0.00 H new ATOM 0 HZ3 LYS C 71 13.340 -5.437 8.624 1.00 0.00 H new ATOM 1778 N LEU C 72 10.509 -2.580 2.139 1.00 0.00 N ATOM 1779 CA LEU C 72 9.747 -2.737 0.903 1.00 0.00 C ATOM 1780 C LEU C 72 9.681 -4.186 0.437 1.00 0.00 C ATOM 1781 O LEU C 72 8.647 -4.632 -0.049 1.00 0.00 O ATOM 1782 CB LEU C 72 10.358 -1.888 -0.204 1.00 0.00 C ATOM 1783 CG LEU C 72 10.197 -0.384 -0.040 1.00 0.00 C ATOM 1784 CD1 LEU C 72 11.240 0.348 -0.865 1.00 0.00 C ATOM 1785 CD2 LEU C 72 8.800 0.034 -0.458 1.00 0.00 C ATOM 0 H LEU C 72 11.380 -2.061 2.027 1.00 0.00 H new ATOM 0 HA LEU C 72 8.731 -2.406 1.118 1.00 0.00 H new ATOM 0 HB2 LEU C 72 11.422 -2.117 -0.269 1.00 0.00 H new ATOM 0 HB3 LEU C 72 9.910 -2.183 -1.153 1.00 0.00 H new ATOM 0 HG LEU C 72 10.342 -0.123 1.008 1.00 0.00 H new ATOM 0 HD11 LEU C 72 11.114 1.423 -0.739 1.00 0.00 H new ATOM 0 HD12 LEU C 72 12.237 0.058 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU C 72 11.119 0.089 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU C 72 8.692 1.112 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU C 72 8.637 -0.233 -1.502 1.00 0.00 H new ATOM 0 HD23 LEU C 72 8.066 -0.476 0.166 1.00 0.00 H new ATOM 1797 N GLN C 73 10.782 -4.919 0.565 1.00 0.00 N ATOM 1798 CA GLN C 73 10.832 -6.290 0.138 1.00 0.00 C ATOM 1799 C GLN C 73 9.950 -7.174 1.000 1.00 0.00 C ATOM 1800 O GLN C 73 9.569 -8.270 0.594 1.00 0.00 O ATOM 1801 CB GLN C 73 12.265 -6.763 0.182 1.00 0.00 C ATOM 1802 CG GLN C 73 12.965 -6.546 1.515 1.00 0.00 C ATOM 1803 CD GLN C 73 14.261 -7.328 1.619 1.00 0.00 C ATOM 1804 OE1 GLN C 73 14.273 -8.470 2.080 1.00 0.00 O ATOM 1805 NE2 GLN C 73 15.358 -6.723 1.192 1.00 0.00 N ATOM 0 H GLN C 73 11.653 -4.572 0.966 1.00 0.00 H new ATOM 0 HA GLN C 73 10.452 -6.356 -0.882 1.00 0.00 H new ATOM 0 HB2 GLN C 73 12.290 -7.826 -0.057 1.00 0.00 H new ATOM 0 HB3 GLN C 73 12.828 -6.248 -0.597 1.00 0.00 H new ATOM 0 HG2 GLN C 73 13.173 -5.484 1.645 1.00 0.00 H new ATOM 0 HG3 GLN C 73 12.299 -6.842 2.325 1.00 0.00 H new ATOM 0 HE21 GLN C 73 15.305 -5.776 0.817 1.00 0.00 H new ATOM 0 HE22 GLN C 73 16.256 -7.204 1.238 1.00 0.00 H new ATOM 1814 N GLU C 74 9.628 -6.685 2.185 1.00 0.00 N ATOM 1815 CA GLU C 74 8.676 -7.349 3.050 1.00 0.00 C ATOM 1816 C GLU C 74 7.278 -7.204 2.461 1.00 0.00 C ATOM 1817 O GLU C 74 6.401 -8.037 2.698 1.00 0.00 O ATOM 1818 CB GLU C 74 8.731 -6.770 4.464 1.00 0.00 C ATOM 1819 CG GLU C 74 10.073 -6.968 5.157 1.00 0.00 C ATOM 1820 CD GLU C 74 10.366 -8.418 5.485 1.00 0.00 C ATOM 1821 OE1 GLU C 74 9.931 -8.884 6.558 1.00 0.00 O ATOM 1822 OE2 GLU C 74 11.047 -9.092 4.685 1.00 0.00 O ATOM 0 H GLU C 74 10.017 -5.824 2.570 1.00 0.00 H new ATOM 0 HA GLU C 74 8.930 -8.407 3.117 1.00 0.00 H new ATOM 0 HB2 GLU C 74 8.510 -5.704 4.419 1.00 0.00 H new ATOM 0 HB3 GLU C 74 7.949 -7.233 5.067 1.00 0.00 H new ATOM 0 HG2 GLU C 74 10.866 -6.579 4.518 1.00 0.00 H new ATOM 0 HG3 GLU C 74 10.090 -6.383 6.077 1.00 0.00 H new ATOM 1829 N TYR C 75 7.072 -6.130 1.694 1.00 0.00 N ATOM 1830 CA TYR C 75 5.800 -5.899 1.041 1.00 0.00 C ATOM 1831 C TYR C 75 5.800 -6.587 -0.315 1.00 0.00 C ATOM 1832 O TYR C 75 4.751 -6.932 -0.857 1.00 0.00 O ATOM 1833 CB TYR C 75 5.555 -4.405 0.833 1.00 0.00 C ATOM 1834 CG TYR C 75 5.602 -3.560 2.087 1.00 0.00 C ATOM 1835 CD1 TYR C 75 4.886 -3.909 3.222 1.00 0.00 C ATOM 1836 CD2 TYR C 75 6.342 -2.386 2.112 1.00 0.00 C ATOM 1837 CE1 TYR C 75 4.903 -3.109 4.349 1.00 0.00 C ATOM 1838 CE2 TYR C 75 6.375 -1.582 3.237 1.00 0.00 C ATOM 1839 CZ TYR C 75 5.649 -1.949 4.351 1.00 0.00 C ATOM 1840 OH TYR C 75 5.655 -1.146 5.468 1.00 0.00 O ATOM 0 H TYR C 75 7.775 -5.413 1.516 1.00 0.00 H new ATOM 0 HA TYR C 75 5.010 -6.301 1.676 1.00 0.00 H new ATOM 0 HB2 TYR C 75 6.298 -4.026 0.132 1.00 0.00 H new ATOM 0 HB3 TYR C 75 4.580 -4.276 0.364 1.00 0.00 H new ATOM 0 HD1 TYR C 75 4.306 -4.820 3.225 1.00 0.00 H new ATOM 0 HD2 TYR C 75 6.903 -2.095 1.236 1.00 0.00 H new ATOM 0 HE1 TYR C 75 4.335 -3.391 5.223 1.00 0.00 H new ATOM 0 HE2 TYR C 75 6.963 -0.676 3.243 1.00 0.00 H new ATOM 0 HH TYR C 75 6.576 -1.031 5.783 1.00 0.00 H new ATOM 1850 N ASN C 76 7.020 -6.770 -0.845 1.00 0.00 N ATOM 1851 CA ASN C 76 7.252 -7.530 -2.074 1.00 0.00 C ATOM 1852 C ASN C 76 6.506 -6.906 -3.256 1.00 0.00 C ATOM 1853 O ASN C 76 6.061 -7.596 -4.168 1.00 0.00 O ATOM 1854 CB ASN C 76 6.830 -8.993 -1.868 1.00 0.00 C ATOM 1855 CG ASN C 76 7.190 -9.902 -3.035 1.00 0.00 C ATOM 1856 OD1 ASN C 76 8.179 -9.681 -3.738 1.00 0.00 O ATOM 1857 ND2 ASN C 76 6.387 -10.932 -3.250 1.00 0.00 N ATOM 0 H ASN C 76 7.872 -6.393 -0.429 1.00 0.00 H new ATOM 0 HA ASN C 76 8.316 -7.501 -2.307 1.00 0.00 H new ATOM 0 HB2 ASN C 76 7.302 -9.374 -0.962 1.00 0.00 H new ATOM 0 HB3 ASN C 76 5.753 -9.032 -1.707 1.00 0.00 H new ATOM 0 HD21 ASN C 76 6.577 -11.575 -4.019 1.00 0.00 H new ATOM 0 HD22 ASN C 76 5.578 -11.083 -2.647 1.00 0.00 H new ATOM 1864 N VAL C 77 6.402 -5.583 -3.251 1.00 0.00 N ATOM 1865 CA VAL C 77 5.609 -4.877 -4.263 1.00 0.00 C ATOM 1866 C VAL C 77 6.386 -4.638 -5.557 1.00 0.00 C ATOM 1867 O VAL C 77 5.950 -3.875 -6.422 1.00 0.00 O ATOM 1868 CB VAL C 77 5.097 -3.523 -3.737 1.00 0.00 C ATOM 1869 CG1 VAL C 77 4.322 -3.714 -2.453 1.00 0.00 C ATOM 1870 CG2 VAL C 77 6.242 -2.546 -3.530 1.00 0.00 C ATOM 0 H VAL C 77 6.851 -4.976 -2.565 1.00 0.00 H new ATOM 0 HA VAL C 77 4.764 -5.530 -4.481 1.00 0.00 H new ATOM 0 HB VAL C 77 4.429 -3.101 -4.487 1.00 0.00 H new ATOM 0 HG11 VAL C 77 3.967 -2.748 -2.095 1.00 0.00 H new ATOM 0 HG12 VAL C 77 3.470 -4.368 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL C 77 4.970 -4.164 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL C 77 5.850 -1.599 -3.158 1.00 0.00 H new ATOM 0 HG22 VAL C 77 6.945 -2.957 -2.805 1.00 0.00 H new ATOM 0 HG23 VAL C 77 6.754 -2.380 -4.478 1.00 0.00 H new ATOM 1880 N GLY C 78 7.532 -5.287 -5.691 1.00 0.00 N ATOM 1881 CA GLY C 78 8.347 -5.117 -6.855 1.00 0.00 C ATOM 1882 C GLY C 78 7.766 -5.743 -8.079 1.00 0.00 C ATOM 1883 O GLY C 78 7.836 -6.953 -8.304 1.00 0.00 O ATOM 0 H GLY C 78 7.908 -5.935 -4.999 1.00 0.00 H new ATOM 0 HA2 GLY C 78 8.494 -4.052 -7.035 1.00 0.00 H new ATOM 0 HA3 GLY C 78 9.331 -5.547 -6.667 1.00 0.00 H new ATOM 1887 N GLY C 79 7.195 -4.879 -8.840 1.00 0.00 N ATOM 1888 CA GLY C 79 6.740 -5.204 -10.180 1.00 0.00 C ATOM 1889 C GLY C 79 5.235 -5.407 -10.340 1.00 0.00 C ATOM 1890 O GLY C 79 4.787 -5.923 -11.364 1.00 0.00 O ATOM 0 H GLY C 79 7.020 -3.913 -8.564 1.00 0.00 H new ATOM 0 HA2 GLY C 79 7.053 -4.406 -10.853 1.00 0.00 H new ATOM 0 HA3 GLY C 79 7.247 -6.113 -10.505 1.00 0.00 H new ATOM 1894 N LYS C 80 4.453 -5.014 -9.348 1.00 0.00 N ATOM 1895 CA LYS C 80 2.984 -5.104 -9.445 1.00 0.00 C ATOM 1896 C LYS C 80 2.331 -3.820 -8.918 1.00 0.00 C ATOM 1897 O LYS C 80 2.881 -3.176 -8.027 1.00 0.00 O ATOM 1898 CB LYS C 80 2.486 -6.315 -8.651 1.00 0.00 C ATOM 1899 CG LYS C 80 0.984 -6.564 -8.754 1.00 0.00 C ATOM 1900 CD LYS C 80 0.569 -7.024 -10.143 1.00 0.00 C ATOM 1901 CE LYS C 80 -0.920 -7.336 -10.208 1.00 0.00 C ATOM 1902 NZ LYS C 80 -1.318 -8.408 -9.251 1.00 0.00 N ATOM 0 H LYS C 80 4.796 -4.631 -8.467 1.00 0.00 H new ATOM 0 HA LYS C 80 2.707 -5.225 -10.492 1.00 0.00 H new ATOM 0 HB2 LYS C 80 3.014 -7.203 -8.998 1.00 0.00 H new ATOM 0 HB3 LYS C 80 2.748 -6.179 -7.602 1.00 0.00 H new ATOM 0 HG2 LYS C 80 0.692 -7.317 -8.022 1.00 0.00 H new ATOM 0 HG3 LYS C 80 0.448 -5.649 -8.502 1.00 0.00 H new ATOM 0 HD2 LYS C 80 0.811 -6.250 -10.871 1.00 0.00 H new ATOM 0 HD3 LYS C 80 1.140 -7.911 -10.419 1.00 0.00 H new ATOM 0 HE2 LYS C 80 -1.488 -6.431 -9.992 1.00 0.00 H new ATOM 0 HE3 LYS C 80 -1.181 -7.642 -11.221 1.00 0.00 H new ATOM 0 HZ1 LYS C 80 -2.270 -8.751 -9.490 1.00 0.00 H new ATOM 0 HZ2 LYS C 80 -0.642 -9.196 -9.311 1.00 0.00 H new ATOM 0 HZ3 LYS C 80 -1.320 -8.026 -8.284 1.00 0.00 H new ATOM 1916 N VAL C 81 1.166 -3.435 -9.477 1.00 0.00 N ATOM 1917 CA VAL C 81 0.505 -2.193 -9.066 1.00 0.00 C ATOM 1918 C VAL C 81 -0.164 -2.312 -7.700 1.00 0.00 C ATOM 1919 O VAL C 81 -1.056 -3.138 -7.478 1.00 0.00 O ATOM 1920 CB VAL C 81 -0.515 -1.618 -10.082 1.00 0.00 C ATOM 1921 CG1 VAL C 81 0.119 -1.198 -11.392 1.00 0.00 C ATOM 1922 CG2 VAL C 81 -1.612 -2.576 -10.369 1.00 0.00 C ATOM 0 H VAL C 81 0.675 -3.960 -10.201 1.00 0.00 H new ATOM 0 HA VAL C 81 1.331 -1.484 -9.014 1.00 0.00 H new ATOM 0 HB VAL C 81 -0.921 -0.730 -9.598 1.00 0.00 H new ATOM 0 HG11 VAL C 81 -0.649 -0.805 -12.058 1.00 0.00 H new ATOM 0 HG12 VAL C 81 0.866 -0.427 -11.204 1.00 0.00 H new ATOM 0 HG13 VAL C 81 0.597 -2.060 -11.858 1.00 0.00 H new ATOM 0 HG21 VAL C 81 -2.304 -2.133 -11.085 1.00 0.00 H new ATOM 0 HG22 VAL C 81 -1.195 -3.492 -10.787 1.00 0.00 H new ATOM 0 HG23 VAL C 81 -2.144 -2.807 -9.446 1.00 0.00 H new ATOM 1932 N ILE C 82 0.312 -1.478 -6.788 1.00 0.00 N ATOM 1933 CA ILE C 82 -0.269 -1.322 -5.468 1.00 0.00 C ATOM 1934 C ILE C 82 -1.615 -0.610 -5.584 1.00 0.00 C ATOM 1935 O ILE C 82 -1.889 0.005 -6.591 1.00 0.00 O ATOM 1936 CB ILE C 82 0.676 -0.501 -4.556 1.00 0.00 C ATOM 1937 CG1 ILE C 82 2.003 -1.180 -4.403 1.00 0.00 C ATOM 1938 CG2 ILE C 82 0.067 -0.228 -3.191 1.00 0.00 C ATOM 1939 CD1 ILE C 82 3.003 -0.341 -3.645 1.00 0.00 C ATOM 0 H ILE C 82 1.125 -0.883 -6.949 1.00 0.00 H new ATOM 0 HA ILE C 82 -0.412 -2.309 -5.027 1.00 0.00 H new ATOM 0 HB ILE C 82 0.826 0.460 -5.048 1.00 0.00 H new ATOM 0 HG12 ILE C 82 1.863 -2.128 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE C 82 2.404 -1.412 -5.390 1.00 0.00 H new ATOM 0 HG21 ILE C 82 0.768 0.350 -2.589 1.00 0.00 H new ATOM 0 HG22 ILE C 82 -0.858 0.335 -3.312 1.00 0.00 H new ATOM 0 HG23 ILE C 82 -0.146 -1.173 -2.692 1.00 0.00 H new ATOM 0 HD11 ILE C 82 3.946 -0.883 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE C 82 3.168 0.597 -4.176 1.00 0.00 H new ATOM 0 HD13 ILE C 82 2.619 -0.131 -2.647 1.00 0.00 H new ATOM 1951 N HIS C 83 -2.472 -0.710 -4.587 1.00 0.00 N ATOM 1952 CA HIS C 83 -3.704 0.063 -4.591 1.00 0.00 C ATOM 1953 C HIS C 83 -3.690 1.050 -3.433 1.00 0.00 C ATOM 1954 O HIS C 83 -3.635 0.654 -2.272 1.00 0.00 O ATOM 1955 CB HIS C 83 -4.937 -0.842 -4.479 1.00 0.00 C ATOM 1956 CG HIS C 83 -5.137 -1.766 -5.641 1.00 0.00 C ATOM 1957 ND1 HIS C 83 -6.067 -1.537 -6.631 1.00 0.00 N ATOM 1958 CD2 HIS C 83 -4.548 -2.947 -5.947 1.00 0.00 C ATOM 1959 CE1 HIS C 83 -6.042 -2.535 -7.493 1.00 0.00 C ATOM 1960 NE2 HIS C 83 -5.130 -3.406 -7.103 1.00 0.00 N ATOM 0 H HIS C 83 -2.343 -1.310 -3.772 1.00 0.00 H new ATOM 0 HA HIS C 83 -3.763 0.599 -5.539 1.00 0.00 H new ATOM 0 HB2 HIS C 83 -4.855 -1.436 -3.569 1.00 0.00 H new ATOM 0 HB3 HIS C 83 -5.823 -0.216 -4.372 1.00 0.00 H new ATOM 0 HD2 HIS C 83 -3.766 -3.437 -5.386 1.00 0.00 H new ATOM 0 HE1 HIS C 83 -6.664 -2.625 -8.371 1.00 0.00 H new ATOM 0 HE2 HIS C 83 -4.896 -4.276 -7.581 1.00 0.00 H new ATOM 1969 N LEU C 84 -3.728 2.327 -3.751 1.00 0.00 N ATOM 1970 CA LEU C 84 -3.650 3.373 -2.740 1.00 0.00 C ATOM 1971 C LEU C 84 -5.014 3.684 -2.147 1.00 0.00 C ATOM 1972 O LEU C 84 -6.053 3.344 -2.719 1.00 0.00 O ATOM 1973 CB LEU C 84 -3.040 4.652 -3.315 1.00 0.00 C ATOM 1974 CG LEU C 84 -1.512 4.674 -3.393 1.00 0.00 C ATOM 1975 CD1 LEU C 84 -1.006 3.691 -4.435 1.00 0.00 C ATOM 1976 CD2 LEU C 84 -1.017 6.079 -3.695 1.00 0.00 C ATOM 0 H LEU C 84 -3.813 2.672 -4.707 1.00 0.00 H new ATOM 0 HA LEU C 84 -3.005 2.996 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU C 84 -3.440 4.806 -4.317 1.00 0.00 H new ATOM 0 HB3 LEU C 84 -3.368 5.496 -2.707 1.00 0.00 H new ATOM 0 HG LEU C 84 -1.117 4.368 -2.424 1.00 0.00 H new ATOM 0 HD11 LEU C 84 0.083 3.727 -4.470 1.00 0.00 H new ATOM 0 HD12 LEU C 84 -1.328 2.684 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU C 84 -1.409 3.957 -5.412 1.00 0.00 H new ATOM 0 HD21 LEU C 84 0.072 6.078 -3.747 1.00 0.00 H new ATOM 0 HD22 LEU C 84 -1.426 6.411 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU C 84 -1.342 6.757 -2.905 1.00 0.00 H new ATOM 1988 N VAL C 85 -4.998 4.311 -0.981 1.00 0.00 N ATOM 1989 CA VAL C 85 -6.215 4.809 -0.371 1.00 0.00 C ATOM 1990 C VAL C 85 -6.167 6.324 -0.365 1.00 0.00 C ATOM 1991 O VAL C 85 -5.131 6.929 -0.073 1.00 0.00 O ATOM 1992 CB VAL C 85 -6.417 4.306 1.082 1.00 0.00 C ATOM 1993 CG1 VAL C 85 -6.242 2.808 1.166 1.00 0.00 C ATOM 1994 CG2 VAL C 85 -5.481 5.003 2.055 1.00 0.00 C ATOM 0 H VAL C 85 -4.152 4.486 -0.439 1.00 0.00 H new ATOM 0 HA VAL C 85 -7.053 4.434 -0.959 1.00 0.00 H new ATOM 0 HB VAL C 85 -7.439 4.553 1.368 1.00 0.00 H new ATOM 0 HG11 VAL C 85 -6.389 2.482 2.196 1.00 0.00 H new ATOM 0 HG12 VAL C 85 -6.974 2.320 0.523 1.00 0.00 H new ATOM 0 HG13 VAL C 85 -5.237 2.540 0.841 1.00 0.00 H new ATOM 0 HG21 VAL C 85 -5.654 4.623 3.062 1.00 0.00 H new ATOM 0 HG22 VAL C 85 -4.448 4.811 1.767 1.00 0.00 H new ATOM 0 HG23 VAL C 85 -5.669 6.076 2.035 1.00 0.00 H new ATOM 2004 N GLU C 86 -7.263 6.932 -0.747 1.00 0.00 N ATOM 2005 CA GLU C 86 -7.331 8.345 -0.845 1.00 0.00 C ATOM 2006 C GLU C 86 -8.344 8.905 0.137 1.00 0.00 C ATOM 2007 O GLU C 86 -9.519 8.533 0.103 1.00 0.00 O ATOM 2008 CB GLU C 86 -7.712 8.671 -2.249 1.00 0.00 C ATOM 2009 CG GLU C 86 -6.578 8.509 -3.247 1.00 0.00 C ATOM 2010 CD GLU C 86 -7.052 8.579 -4.678 1.00 0.00 C ATOM 2011 OE1 GLU C 86 -7.437 9.679 -5.123 1.00 0.00 O ATOM 2012 OE2 GLU C 86 -7.041 7.536 -5.365 1.00 0.00 O ATOM 0 H GLU C 86 -8.126 6.449 -0.996 1.00 0.00 H new ATOM 0 HA GLU C 86 -6.369 8.794 -0.597 1.00 0.00 H new ATOM 0 HB2 GLU C 86 -8.541 8.030 -2.548 1.00 0.00 H new ATOM 0 HB3 GLU C 86 -8.073 9.699 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU C 86 -5.834 9.287 -3.076 1.00 0.00 H new ATOM 0 HG3 GLU C 86 -6.084 7.552 -3.078 1.00 0.00 H new ATOM 2019 N ARG C 87 -7.891 9.782 1.014 1.00 0.00 N ATOM 2020 CA ARG C 87 -8.774 10.414 1.970 1.00 0.00 C ATOM 2021 C ARG C 87 -9.464 11.607 1.327 1.00 0.00 C ATOM 2022 O ARG C 87 -9.193 11.938 0.170 1.00 0.00 O ATOM 2023 CB ARG C 87 -8.004 10.854 3.218 1.00 0.00 C ATOM 2024 CG ARG C 87 -7.134 9.758 3.810 1.00 0.00 C ATOM 2025 CD ARG C 87 -6.708 10.090 5.231 1.00 0.00 C ATOM 2026 NE ARG C 87 -5.780 9.100 5.779 1.00 0.00 N ATOM 2027 CZ ARG C 87 -5.453 9.021 7.071 1.00 0.00 C ATOM 2028 NH1 ARG C 87 -5.975 9.871 7.946 1.00 0.00 N ATOM 2029 NH2 ARG C 87 -4.590 8.100 7.482 1.00 0.00 N ATOM 0 H ARG C 87 -6.915 10.071 1.082 1.00 0.00 H new ATOM 0 HA ARG C 87 -9.528 9.689 2.277 1.00 0.00 H new ATOM 0 HB2 ARG C 87 -7.376 11.709 2.966 1.00 0.00 H new ATOM 0 HB3 ARG C 87 -8.714 11.191 3.973 1.00 0.00 H new ATOM 0 HG2 ARG C 87 -7.681 8.815 3.804 1.00 0.00 H new ATOM 0 HG3 ARG C 87 -6.250 9.618 3.188 1.00 0.00 H new ATOM 0 HD2 ARG C 87 -6.238 11.073 5.246 1.00 0.00 H new ATOM 0 HD3 ARG C 87 -7.591 10.149 5.868 1.00 0.00 H new ATOM 0 HE ARG C 87 -5.358 8.430 5.136 1.00 0.00 H new ATOM 0 HH11 ARG C 87 -6.629 10.588 7.632 1.00 0.00 H new ATOM 0 HH12 ARG C 87 -5.722 9.807 8.932 1.00 0.00 H new ATOM 0 HH21 ARG C 87 -4.177 7.453 6.811 1.00 0.00 H new ATOM 0 HH22 ARG C 87 -4.340 8.040 8.469 1.00 0.00 H new ATOM 2043 N ALA C 88 -10.354 12.236 2.070 1.00 0.00 N ATOM 2044 CA ALA C 88 -11.090 13.382 1.567 1.00 0.00 C ATOM 2045 C ALA C 88 -10.147 14.528 1.205 1.00 0.00 C ATOM 2046 O ALA C 88 -9.100 14.704 1.835 1.00 0.00 O ATOM 2047 CB ALA C 88 -12.113 13.842 2.591 1.00 0.00 C ATOM 0 H ALA C 88 -10.586 11.972 3.028 1.00 0.00 H new ATOM 0 HA ALA C 88 -11.612 13.077 0.660 1.00 0.00 H new ATOM 0 HB1 ALA C 88 -12.657 14.702 2.201 1.00 0.00 H new ATOM 0 HB2 ALA C 88 -12.813 13.032 2.795 1.00 0.00 H new ATOM 0 HB3 ALA C 88 -11.604 14.123 3.513 1.00 0.00 H new ATOM 2053 N PRO C 89 -10.505 15.307 0.172 1.00 0.00 N ATOM 2054 CA PRO C 89 -9.717 16.462 -0.270 1.00 0.00 C ATOM 2055 C PRO C 89 -9.590 17.516 0.828 1.00 0.00 C ATOM 2056 O PRO C 89 -10.414 17.557 1.743 1.00 0.00 O ATOM 2057 CB PRO C 89 -10.520 17.015 -1.450 1.00 0.00 C ATOM 2058 CG PRO C 89 -11.358 15.876 -1.898 1.00 0.00 C ATOM 2059 CD PRO C 89 -11.707 15.127 -0.650 1.00 0.00 C ATOM 0 HA PRO C 89 -8.695 16.187 -0.530 1.00 0.00 H new ATOM 0 HB2 PRO C 89 -11.133 17.864 -1.149 1.00 0.00 H new ATOM 0 HB3 PRO C 89 -9.864 17.363 -2.248 1.00 0.00 H new ATOM 0 HG2 PRO C 89 -12.254 16.225 -2.411 1.00 0.00 H new ATOM 0 HG3 PRO C 89 -10.816 15.241 -2.599 1.00 0.00 H new ATOM 0 HD2 PRO C 89 -12.595 15.535 -0.166 1.00 0.00 H new ATOM 0 HD3 PRO C 89 -11.908 14.075 -0.851 1.00 0.00 H new ATOM 2067 N PRO C 90 -8.559 18.380 0.747 1.00 0.00 N ATOM 2068 CA PRO C 90 -8.301 19.430 1.744 1.00 0.00 C ATOM 2069 C PRO C 90 -9.556 20.236 2.075 1.00 0.00 C ATOM 2070 O PRO C 90 -10.345 20.570 1.191 1.00 0.00 O ATOM 2071 CB PRO C 90 -7.246 20.326 1.076 1.00 0.00 C ATOM 2072 CG PRO C 90 -7.149 19.855 -0.339 1.00 0.00 C ATOM 2073 CD PRO C 90 -7.566 18.415 -0.331 1.00 0.00 C ATOM 0 HA PRO C 90 -7.972 19.009 2.694 1.00 0.00 H new ATOM 0 HB2 PRO C 90 -7.539 21.375 1.120 1.00 0.00 H new ATOM 0 HB3 PRO C 90 -6.285 20.243 1.583 1.00 0.00 H new ATOM 0 HG2 PRO C 90 -7.795 20.444 -0.990 1.00 0.00 H new ATOM 0 HG3 PRO C 90 -6.132 19.964 -0.716 1.00 0.00 H new ATOM 0 HD2 PRO C 90 -7.993 18.111 -1.287 1.00 0.00 H new ATOM 0 HD3 PRO C 90 -6.726 17.750 -0.131 1.00 0.00 H new ATOM 2081 N GLN C 91 -9.734 20.541 3.356 1.00 0.00 N ATOM 2082 CA GLN C 91 -10.953 21.193 3.829 1.00 0.00 C ATOM 2083 C GLN C 91 -10.936 22.689 3.503 1.00 0.00 C ATOM 2084 O GLN C 91 -11.975 23.354 3.520 1.00 0.00 O ATOM 2085 CB GLN C 91 -11.133 20.951 5.336 1.00 0.00 C ATOM 2086 CG GLN C 91 -10.641 22.080 6.215 1.00 0.00 C ATOM 2087 CD GLN C 91 -10.494 21.695 7.628 1.00 0.00 C ATOM 2088 OE1 GLN C 91 -11.291 20.958 8.207 1.00 0.00 O ATOM 2089 NE2 GLN C 91 -9.383 22.132 8.152 1.00 0.00 N ATOM 0 H GLN C 91 -9.050 20.347 4.087 1.00 0.00 H new ATOM 0 HA GLN C 91 -11.806 20.756 3.309 1.00 0.00 H new ATOM 0 HB2 GLN C 91 -12.190 20.782 5.540 1.00 0.00 H new ATOM 0 HB3 GLN C 91 -10.606 20.037 5.610 1.00 0.00 H new ATOM 0 HG2 GLN C 91 -9.680 22.432 5.839 1.00 0.00 H new ATOM 0 HG3 GLN C 91 -11.336 22.916 6.144 1.00 0.00 H new ATOM 0 HE21 GLN C 91 -8.769 22.742 7.611 1.00 0.00 H new ATOM 0 HE22 GLN C 91 -9.128 21.864 9.103 1.00 0.00 H new ATOM 2098 N THR C 92 -9.756 23.208 3.192 1.00 0.00 N ATOM 2099 CA THR C 92 -9.612 24.601 2.811 1.00 0.00 C ATOM 2100 C THR C 92 -10.198 24.826 1.420 1.00 0.00 C ATOM 2101 O THR C 92 -10.184 23.929 0.576 1.00 0.00 O ATOM 2102 CB THR C 92 -8.130 25.045 2.829 1.00 0.00 C ATOM 2103 OG1 THR C 92 -8.030 26.436 2.503 1.00 0.00 O ATOM 2104 CG2 THR C 92 -7.290 24.233 1.848 1.00 0.00 C ATOM 0 H THR C 92 -8.883 22.680 3.197 1.00 0.00 H new ATOM 0 HA THR C 92 -10.155 25.202 3.540 1.00 0.00 H new ATOM 0 HB THR C 92 -7.746 24.872 3.834 1.00 0.00 H new ATOM 0 HG1 THR C 92 -7.089 26.709 2.518 1.00 0.00 H new ATOM 0 HG21 THR C 92 -6.255 24.572 1.888 1.00 0.00 H new ATOM 0 HG22 THR C 92 -7.336 23.177 2.116 1.00 0.00 H new ATOM 0 HG23 THR C 92 -7.678 24.368 0.838 1.00 0.00 H new ATOM 2112 N HIS C 93 -10.738 26.016 1.199 1.00 0.00 N ATOM 2113 CA HIS C 93 -11.334 26.359 -0.086 1.00 0.00 C ATOM 2114 C HIS C 93 -10.265 26.876 -1.045 1.00 0.00 C ATOM 2115 O HIS C 93 -10.524 27.090 -2.231 1.00 0.00 O ATOM 2116 CB HIS C 93 -12.440 27.395 0.098 1.00 0.00 C ATOM 2117 CG HIS C 93 -13.228 27.678 -1.148 1.00 0.00 C ATOM 2118 ND1 HIS C 93 -13.298 28.926 -1.728 1.00 0.00 N ATOM 2119 CD2 HIS C 93 -13.984 26.864 -1.924 1.00 0.00 C ATOM 2120 CE1 HIS C 93 -14.061 28.868 -2.804 1.00 0.00 C ATOM 2121 NE2 HIS C 93 -14.488 27.629 -2.945 1.00 0.00 N ATOM 0 H HIS C 93 -10.776 26.762 1.894 1.00 0.00 H new ATOM 0 HA HIS C 93 -11.776 25.460 -0.516 1.00 0.00 H new ATOM 0 HB2 HIS C 93 -13.121 27.049 0.875 1.00 0.00 H new ATOM 0 HB3 HIS C 93 -11.996 28.325 0.454 1.00 0.00 H new ATOM 0 HD2 HIS C 93 -14.157 25.810 -1.768 1.00 0.00 H new ATOM 0 HE1 HIS C 93 -14.295 29.695 -3.458 1.00 0.00 H new ATOM 0 HE2 HIS C 93 -15.095 27.293 -3.693 1.00 0.00 H new ATOM 2130 N LEU C 94 -9.063 27.074 -0.516 1.00 0.00 N ATOM 2131 CA LEU C 94 -7.929 27.497 -1.320 1.00 0.00 C ATOM 2132 C LEU C 94 -7.537 26.388 -2.295 1.00 0.00 C ATOM 2133 O LEU C 94 -7.267 25.263 -1.877 1.00 0.00 O ATOM 2134 CB LEU C 94 -6.759 27.871 -0.409 1.00 0.00 C ATOM 2135 CG LEU C 94 -5.464 28.308 -1.107 1.00 0.00 C ATOM 2136 CD1 LEU C 94 -4.733 29.337 -0.263 1.00 0.00 C ATOM 2137 CD2 LEU C 94 -4.551 27.114 -1.357 1.00 0.00 C ATOM 0 H LEU C 94 -8.851 26.947 0.474 1.00 0.00 H new ATOM 0 HA LEU C 94 -8.204 28.377 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU C 94 -7.082 28.678 0.248 1.00 0.00 H new ATOM 0 HB3 LEU C 94 -6.533 27.014 0.226 1.00 0.00 H new ATOM 0 HG LEU C 94 -5.732 28.751 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU C 94 -3.816 29.638 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU C 94 -5.371 30.209 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU C 94 -4.486 28.904 0.706 1.00 0.00 H new ATOM 0 HD21 LEU C 94 -3.640 27.450 -1.853 1.00 0.00 H new ATOM 0 HD22 LEU C 94 -4.295 26.646 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU C 94 -5.063 26.391 -1.991 1.00 0.00 H new ATOM 2149 N PRO C 95 -7.528 26.685 -3.607 1.00 0.00 N ATOM 2150 CA PRO C 95 -7.166 25.708 -4.638 1.00 0.00 C ATOM 2151 C PRO C 95 -5.731 25.217 -4.490 1.00 0.00 C ATOM 2152 O PRO C 95 -4.775 25.970 -4.704 1.00 0.00 O ATOM 2153 CB PRO C 95 -7.326 26.475 -5.954 1.00 0.00 C ATOM 2154 CG PRO C 95 -8.176 27.651 -5.622 1.00 0.00 C ATOM 2155 CD PRO C 95 -7.882 27.989 -4.191 1.00 0.00 C ATOM 0 HA PRO C 95 -7.789 24.816 -4.576 1.00 0.00 H new ATOM 0 HB2 PRO C 95 -6.359 26.787 -6.347 1.00 0.00 H new ATOM 0 HB3 PRO C 95 -7.795 25.854 -6.717 1.00 0.00 H new ATOM 0 HG2 PRO C 95 -7.948 28.493 -6.276 1.00 0.00 H new ATOM 0 HG3 PRO C 95 -9.232 27.419 -5.758 1.00 0.00 H new ATOM 0 HD2 PRO C 95 -7.064 28.705 -4.105 1.00 0.00 H new ATOM 0 HD3 PRO C 95 -8.746 28.432 -3.695 1.00 0.00 H new ATOM 2163 N SER C 96 -5.590 23.958 -4.105 1.00 0.00 N ATOM 2164 CA SER C 96 -4.297 23.335 -3.952 1.00 0.00 C ATOM 2165 C SER C 96 -3.664 23.042 -5.314 1.00 0.00 C ATOM 2166 O SER C 96 -4.159 23.500 -6.346 1.00 0.00 O ATOM 2167 CB SER C 96 -4.441 22.049 -3.136 1.00 0.00 C ATOM 2168 OG SER C 96 -5.007 22.320 -1.864 1.00 0.00 O ATOM 0 H SER C 96 -6.375 23.343 -3.891 1.00 0.00 H new ATOM 0 HA SER C 96 -3.637 24.022 -3.422 1.00 0.00 H new ATOM 0 HB2 SER C 96 -5.069 21.340 -3.675 1.00 0.00 H new ATOM 0 HB3 SER C 96 -3.465 21.580 -3.012 1.00 0.00 H new ATOM 0 HG SER C 96 -4.675 21.667 -1.213 1.00 0.00 H new ATOM 2174 N GLY C 97 -2.577 22.279 -5.311 1.00 0.00 N ATOM 2175 CA GLY C 97 -1.890 21.956 -6.546 1.00 0.00 C ATOM 2176 C GLY C 97 -2.650 20.955 -7.395 1.00 0.00 C ATOM 2177 O GLY C 97 -3.719 21.270 -7.928 1.00 0.00 O ATOM 0 H GLY C 97 -2.159 21.877 -4.472 1.00 0.00 H new ATOM 0 HA2 GLY C 97 -1.735 22.869 -7.120 1.00 0.00 H new ATOM 0 HA3 GLY C 97 -0.904 21.554 -6.314 1.00 0.00 H new ATOM 2181 N ALA C 98 -2.099 19.747 -7.515 1.00 0.00 N ATOM 2182 CA ALA C 98 -2.664 18.711 -8.379 1.00 0.00 C ATOM 2183 C ALA C 98 -2.825 19.246 -9.797 1.00 0.00 C ATOM 2184 O ALA C 98 -3.818 18.980 -10.478 1.00 0.00 O ATOM 2185 CB ALA C 98 -3.995 18.210 -7.828 1.00 0.00 C ATOM 0 H ALA C 98 -1.255 19.461 -7.020 1.00 0.00 H new ATOM 0 HA ALA C 98 -1.978 17.864 -8.404 1.00 0.00 H new ATOM 0 HB1 ALA C 98 -4.395 17.440 -8.488 1.00 0.00 H new ATOM 0 HB2 ALA C 98 -3.843 17.792 -6.833 1.00 0.00 H new ATOM 0 HB3 ALA C 98 -4.700 19.039 -7.769 1.00 0.00 H new ATOM 2191 N SER C 99 -1.834 20.019 -10.220 1.00 0.00 N ATOM 2192 CA SER C 99 -1.867 20.697 -11.501 1.00 0.00 C ATOM 2193 C SER C 99 -1.067 19.935 -12.554 1.00 0.00 C ATOM 2194 O SER C 99 -0.616 18.813 -12.307 1.00 0.00 O ATOM 2195 CB SER C 99 -1.318 22.115 -11.324 1.00 0.00 C ATOM 2196 OG SER C 99 -0.232 22.126 -10.405 1.00 0.00 O ATOM 0 H SER C 99 -0.985 20.191 -9.681 1.00 0.00 H new ATOM 0 HA SER C 99 -2.898 20.743 -11.853 1.00 0.00 H new ATOM 0 HB2 SER C 99 -0.989 22.505 -12.287 1.00 0.00 H new ATOM 0 HB3 SER C 99 -2.109 22.774 -10.967 1.00 0.00 H new ATOM 0 HG SER C 99 0.584 21.831 -10.860 1.00 0.00 H new ATOM 2202 N SER C 100 -0.910 20.529 -13.728 1.00 0.00 N ATOM 2203 CA SER C 100 -0.101 19.929 -14.776 1.00 0.00 C ATOM 2204 C SER C 100 1.375 20.029 -14.405 1.00 0.00 C ATOM 2205 O SER C 100 2.156 19.106 -14.641 1.00 0.00 O ATOM 2206 CB SER C 100 -0.364 20.622 -16.117 1.00 0.00 C ATOM 2207 OG SER C 100 0.222 19.906 -17.192 1.00 0.00 O ATOM 0 H SER C 100 -1.331 21.424 -13.977 1.00 0.00 H new ATOM 0 HA SER C 100 -0.372 18.878 -14.877 1.00 0.00 H new ATOM 0 HB2 SER C 100 -1.438 20.710 -16.279 1.00 0.00 H new ATOM 0 HB3 SER C 100 0.038 21.635 -16.090 1.00 0.00 H new ATOM 0 HG SER C 100 0.036 20.371 -18.034 1.00 0.00 H new ATOM 2213 N GLY C 101 1.746 21.151 -13.802 1.00 0.00 N ATOM 2214 CA GLY C 101 3.114 21.351 -13.386 1.00 0.00 C ATOM 2215 C GLY C 101 3.228 21.501 -11.886 1.00 0.00 C ATOM 2216 O GLY C 101 4.278 21.129 -11.320 1.00 0.00 O ATOM 2217 OXT GLY C 101 2.263 21.991 -11.265 1.00 0.00 O ATOM 0 H GLY C 101 1.118 21.928 -13.594 1.00 0.00 H new ATOM 0 HA2 GLY C 101 3.721 20.507 -13.714 1.00 0.00 H new ATOM 0 HA3 GLY C 101 3.515 22.240 -13.872 1.00 0.00 H new TER 2221 GLY C 101 HETATM 2222 ZN ZN A 101 -15.800 -2.609 -2.756 1.00 0.00 ZN