USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 793 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 GLN : amide:sc= -0.333 K(o=0.41,f=-0.37) USER MOD Set 1.2: A 90 GLN : amide:sc= 0.744 K(o=0.41,f=-0.37) USER MOD Set 2.1: A 77 ASN : amide:sc= -2.78 K(o=-3.7,f=-12!) USER MOD Set 2.2: A 81 LYS NZ :NH3+ 174:sc= -0.915 (180deg=0) USER MOD Set 3.1: A 49 HIS : no HE2:sc= -0.789 K(o=-0.34,f=-3.7) USER MOD Set 3.2: A 50 LYS NZ :NH3+ -135:sc= 0.448 (180deg=-1.42) USER MOD Set 4.1: A 44 ASN : amide:sc= -2.25 K(o=1.9,f=-8.2!) USER MOD Set 4.2: A 47 LYS NZ :NH3+ 158:sc= 2.61 (180deg=0.79) USER MOD Set 4.3: A 48 LYS NZ :NH3+ -173:sc= 1.52 (180deg=1.46) USER MOD Set 5.1: A 27 LYS NZ :NH3+ -120:sc= -0.076 (180deg=-0.898) USER MOD Set 5.2: A 31 SER OG : rot 141:sc= -0.0101 USER MOD Single : A 10 HIS : no HD1:sc= -0.114 X(o=-0.11,f=0) USER MOD Single : A 11 GLN : amide:sc=-0.00802 X(o=-0.008,f=-0.025) USER MOD Single : A 16 MET CE :methyl 155:sc= -0.843 (180deg=-1.24) USER MOD Single : A 21 SER OG : rot 99:sc= 0.257 USER MOD Single : A 24 LYS NZ :NH3+ 139:sc= 0.492 (180deg=-2.75!) USER MOD Single : A 26 LYS NZ :NH3+ 177:sc= 0.422 (180deg=0.412) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD Single : A 59 HIS : no HD1:sc= -2.83! C(o=-2.8!,f=-16!) USER MOD Single : A 64 GLN : amide:sc=-0.00206 K(o=-0.0021,f=-4!) USER MOD Single : A 69 THR OG1 : rot 76:sc= 0.836 USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= 0.722 (180deg=0.566) USER MOD Single : A 72 LYS NZ :NH3+ -138:sc= -2.37 (180deg=-5.5!) USER MOD Single : A 74 SER OG : rot -72:sc= 0.763 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.61) USER MOD Single : A 94 HIS : no HD1:sc= -0.0233 X(o=-0.023,f=-0.19) USER MOD Single : A 96 LYS NZ :NH3+ -161:sc= -0.638 (180deg=-0.867) USER MOD Single : A 99 LYS NZ :NH3+ -169:sc= -0.629 (180deg=-0.846) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.052 F(o=-1.2,f=-0.052) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 10 22.073 -8.271 -14.341 1.00 1.70 N ATOM 2 CA HIS A 10 21.589 -9.646 -14.418 1.00 1.73 C ATOM 3 C HIS A 10 22.682 -10.645 -14.040 1.00 1.58 C ATOM 4 O HIS A 10 22.401 -11.677 -13.430 1.00 1.52 O ATOM 5 CB HIS A 10 21.071 -9.945 -15.828 1.00 2.04 C ATOM 6 CG HIS A 10 20.499 -11.322 -15.974 1.00 2.54 C ATOM 7 ND1 HIS A 10 19.158 -11.612 -15.860 1.00 3.19 N ATOM 8 CD2 HIS A 10 21.119 -12.504 -16.226 1.00 3.29 C ATOM 9 CE1 HIS A 10 19.007 -12.932 -16.040 1.00 4.01 C ATOM 10 NE2 HIS A 10 20.167 -13.519 -16.266 1.00 4.11 N ATOM 0 HA HIS A 10 20.773 -9.753 -13.703 1.00 1.73 H new ATOM 0 HB2 HIS A 10 20.307 -9.213 -16.089 1.00 2.04 H new ATOM 0 HB3 HIS A 10 21.887 -9.821 -16.540 1.00 2.04 H new ATOM 0 HD2 HIS A 10 22.181 -12.635 -16.372 1.00 3.29 H new ATOM 0 HE1 HIS A 10 18.059 -13.448 -16.005 1.00 4.01 H new ATOM 0 HE2 HIS A 10 20.332 -14.511 -16.435 1.00 4.11 H new ATOM 18 N GLN A 11 23.927 -10.343 -14.406 1.00 1.60 N ATOM 19 CA GLN A 11 25.041 -11.231 -14.100 1.00 1.56 C ATOM 20 C GLN A 11 25.132 -11.490 -12.603 1.00 1.29 C ATOM 21 O GLN A 11 25.346 -12.623 -12.180 1.00 1.26 O ATOM 22 CB GLN A 11 26.366 -10.680 -14.641 1.00 1.75 C ATOM 23 CG GLN A 11 26.869 -9.414 -13.955 1.00 2.28 C ATOM 24 CD GLN A 11 28.313 -9.529 -13.509 1.00 3.08 C ATOM 25 OE1 GLN A 11 29.227 -9.097 -14.213 1.00 3.64 O ATOM 26 NE2 GLN A 11 28.529 -10.119 -12.340 1.00 3.73 N ATOM 0 H GLN A 11 24.186 -9.496 -14.911 1.00 1.60 H new ATOM 0 HA GLN A 11 24.852 -12.181 -14.600 1.00 1.56 H new ATOM 0 HB2 GLN A 11 27.129 -11.453 -14.547 1.00 1.75 H new ATOM 0 HB3 GLN A 11 26.249 -10.476 -15.705 1.00 1.75 H new ATOM 0 HG2 GLN A 11 26.769 -8.571 -14.638 1.00 2.28 H new ATOM 0 HG3 GLN A 11 26.241 -9.200 -13.090 1.00 2.28 H new ATOM 0 HE21 GLN A 11 27.742 -10.462 -11.789 1.00 3.73 H new ATOM 0 HE22 GLN A 11 29.482 -10.229 -11.993 1.00 3.73 H new ATOM 35 N PHE A 12 24.945 -10.451 -11.787 1.00 1.14 N ATOM 36 CA PHE A 12 24.996 -10.637 -10.344 1.00 0.98 C ATOM 37 C PHE A 12 23.984 -11.699 -9.954 1.00 0.94 C ATOM 38 O PHE A 12 24.281 -12.596 -9.175 1.00 0.91 O ATOM 39 CB PHE A 12 24.712 -9.339 -9.583 1.00 0.98 C ATOM 40 CG PHE A 12 24.291 -9.578 -8.158 1.00 0.86 C ATOM 41 CD1 PHE A 12 25.232 -9.833 -7.170 1.00 0.83 C ATOM 42 CD2 PHE A 12 22.951 -9.567 -7.811 1.00 0.86 C ATOM 43 CE1 PHE A 12 24.841 -10.065 -5.867 1.00 0.77 C ATOM 44 CE2 PHE A 12 22.556 -9.800 -6.510 1.00 0.82 C ATOM 45 CZ PHE A 12 23.502 -10.049 -5.537 1.00 0.76 C ATOM 0 H PHE A 12 24.761 -9.496 -12.095 1.00 1.14 H new ATOM 0 HA PHE A 12 26.004 -10.951 -10.074 1.00 0.98 H new ATOM 0 HB2 PHE A 12 25.605 -8.714 -9.593 1.00 0.98 H new ATOM 0 HB3 PHE A 12 23.929 -8.784 -10.100 1.00 0.98 H new ATOM 0 HD1 PHE A 12 26.282 -9.850 -7.424 1.00 0.83 H new ATOM 0 HD2 PHE A 12 22.206 -9.374 -8.568 1.00 0.86 H new ATOM 0 HE1 PHE A 12 25.583 -10.259 -5.106 1.00 0.77 H new ATOM 0 HE2 PHE A 12 21.507 -9.788 -6.253 1.00 0.82 H new ATOM 0 HZ PHE A 12 23.194 -10.231 -4.518 1.00 0.76 H new ATOM 55 N PHE A 13 22.786 -11.605 -10.530 1.00 1.03 N ATOM 56 CA PHE A 13 21.740 -12.582 -10.262 1.00 1.16 C ATOM 57 C PHE A 13 22.317 -13.981 -10.429 1.00 1.12 C ATOM 58 O PHE A 13 22.205 -14.826 -9.538 1.00 1.08 O ATOM 59 CB PHE A 13 20.553 -12.379 -11.213 1.00 1.42 C ATOM 60 CG PHE A 13 19.228 -12.767 -10.618 1.00 1.67 C ATOM 61 CD1 PHE A 13 19.020 -14.050 -10.140 1.00 2.16 C ATOM 62 CD2 PHE A 13 18.190 -11.851 -10.544 1.00 1.91 C ATOM 63 CE1 PHE A 13 17.801 -14.414 -9.603 1.00 2.70 C ATOM 64 CE2 PHE A 13 16.970 -12.210 -10.006 1.00 2.42 C ATOM 65 CZ PHE A 13 16.785 -13.475 -9.500 1.00 2.77 C ATOM 0 H PHE A 13 22.520 -10.866 -11.181 1.00 1.03 H new ATOM 0 HA PHE A 13 21.378 -12.453 -9.242 1.00 1.16 H new ATOM 0 HB2 PHE A 13 20.514 -11.332 -11.513 1.00 1.42 H new ATOM 0 HB3 PHE A 13 20.720 -12.963 -12.118 1.00 1.42 H new ATOM 0 HD1 PHE A 13 19.820 -14.774 -10.188 1.00 2.16 H new ATOM 0 HD2 PHE A 13 18.337 -10.846 -10.911 1.00 1.91 H new ATOM 0 HE1 PHE A 13 17.639 -15.427 -9.264 1.00 2.70 H new ATOM 0 HE2 PHE A 13 16.160 -11.496 -9.983 1.00 2.42 H new ATOM 0 HZ PHE A 13 15.852 -13.737 -9.024 1.00 2.77 H new ATOM 75 N ARG A 14 22.969 -14.204 -11.570 1.00 1.21 N ATOM 76 CA ARG A 14 23.600 -15.488 -11.844 1.00 1.30 C ATOM 77 C ARG A 14 24.584 -15.821 -10.731 1.00 1.14 C ATOM 78 O ARG A 14 24.507 -16.887 -10.127 1.00 1.12 O ATOM 79 CB ARG A 14 24.310 -15.471 -13.206 1.00 1.55 C ATOM 80 CG ARG A 14 24.993 -16.785 -13.563 1.00 1.71 C ATOM 81 CD ARG A 14 24.012 -17.949 -13.577 1.00 2.48 C ATOM 82 NE ARG A 14 24.312 -18.927 -12.533 1.00 2.80 N ATOM 83 CZ ARG A 14 23.395 -19.674 -11.925 1.00 3.53 C ATOM 84 NH1 ARG A 14 22.114 -19.574 -12.259 1.00 4.35 N ATOM 85 NH2 ARG A 14 23.765 -20.529 -10.981 1.00 3.79 N ATOM 0 H ARG A 14 23.072 -13.514 -12.314 1.00 1.21 H new ATOM 0 HA ARG A 14 22.829 -16.257 -11.881 1.00 1.30 H new ATOM 0 HB2 ARG A 14 23.583 -15.229 -13.981 1.00 1.55 H new ATOM 0 HB3 ARG A 14 25.054 -14.674 -13.207 1.00 1.55 H new ATOM 0 HG2 ARG A 14 25.464 -16.695 -14.542 1.00 1.71 H new ATOM 0 HG3 ARG A 14 25.787 -16.988 -12.845 1.00 1.71 H new ATOM 0 HD2 ARG A 14 22.999 -17.571 -13.440 1.00 2.48 H new ATOM 0 HD3 ARG A 14 24.042 -18.437 -14.551 1.00 2.48 H new ATOM 0 HE ARG A 14 25.286 -19.044 -12.253 1.00 2.80 H new ATOM 0 HH11 ARG A 14 21.826 -18.920 -12.987 1.00 4.35 H new ATOM 0 HH12 ARG A 14 21.417 -20.151 -11.787 1.00 4.35 H new ATOM 0 HH21 ARG A 14 24.749 -20.611 -10.725 1.00 3.79 H new ATOM 0 HH22 ARG A 14 23.066 -21.104 -10.511 1.00 3.79 H new ATOM 99 N ASP A 15 25.506 -14.899 -10.456 1.00 1.12 N ATOM 100 CA ASP A 15 26.492 -15.106 -9.394 1.00 1.14 C ATOM 101 C ASP A 15 25.800 -15.564 -8.110 1.00 1.00 C ATOM 102 O ASP A 15 26.201 -16.550 -7.497 1.00 1.05 O ATOM 103 CB ASP A 15 27.288 -13.821 -9.122 1.00 1.29 C ATOM 104 CG ASP A 15 27.751 -13.117 -10.387 1.00 1.49 C ATOM 105 OD1 ASP A 15 27.781 -13.761 -11.459 1.00 1.84 O ATOM 106 OD2 ASP A 15 28.093 -11.919 -10.304 1.00 2.10 O ATOM 0 H ASP A 15 25.592 -14.010 -10.948 1.00 1.12 H new ATOM 0 HA ASP A 15 27.185 -15.879 -9.726 1.00 1.14 H new ATOM 0 HB2 ASP A 15 26.671 -13.137 -8.540 1.00 1.29 H new ATOM 0 HB3 ASP A 15 28.158 -14.064 -8.511 1.00 1.29 H new ATOM 111 N MET A 16 24.751 -14.844 -7.711 1.00 0.93 N ATOM 112 CA MET A 16 23.998 -15.182 -6.506 1.00 0.98 C ATOM 113 C MET A 16 23.542 -16.636 -6.568 1.00 0.88 C ATOM 114 O MET A 16 23.797 -17.424 -5.653 1.00 0.88 O ATOM 115 CB MET A 16 22.787 -14.253 -6.354 1.00 1.15 C ATOM 116 CG MET A 16 22.853 -13.361 -5.124 1.00 1.45 C ATOM 117 SD MET A 16 22.699 -14.286 -3.585 1.00 1.92 S ATOM 118 CE MET A 16 20.918 -14.394 -3.428 1.00 2.23 C ATOM 0 H MET A 16 24.404 -14.022 -8.206 1.00 0.93 H new ATOM 0 HA MET A 16 24.646 -15.051 -5.639 1.00 0.98 H new ATOM 0 HB2 MET A 16 22.707 -13.627 -7.242 1.00 1.15 H new ATOM 0 HB3 MET A 16 21.881 -14.857 -6.306 1.00 1.15 H new ATOM 0 HG2 MET A 16 23.798 -12.818 -5.124 1.00 1.45 H new ATOM 0 HG3 MET A 16 22.058 -12.617 -5.177 1.00 1.45 H new ATOM 0 HE1 MET A 16 20.658 -15.264 -2.825 1.00 2.23 H new ATOM 0 HE2 MET A 16 20.540 -13.493 -2.946 1.00 2.23 H new ATOM 0 HE3 MET A 16 20.471 -14.491 -4.417 1.00 2.23 H new ATOM 128 N ASP A 17 22.882 -16.988 -7.669 1.00 0.91 N ATOM 129 CA ASP A 17 22.408 -18.348 -7.874 1.00 0.97 C ATOM 130 C ASP A 17 23.567 -19.325 -7.716 1.00 0.88 C ATOM 131 O ASP A 17 23.437 -20.349 -7.059 1.00 0.86 O ATOM 132 CB ASP A 17 21.775 -18.490 -9.263 1.00 1.19 C ATOM 133 CG ASP A 17 21.115 -19.843 -9.487 1.00 1.80 C ATOM 134 OD1 ASP A 17 21.689 -20.869 -9.061 1.00 2.46 O ATOM 135 OD2 ASP A 17 20.030 -19.875 -10.102 1.00 2.44 O ATOM 0 H ASP A 17 22.665 -16.347 -8.432 1.00 0.91 H new ATOM 0 HA ASP A 17 21.647 -18.575 -7.127 1.00 0.97 H new ATOM 0 HB2 ASP A 17 21.032 -17.704 -9.398 1.00 1.19 H new ATOM 0 HB3 ASP A 17 22.542 -18.337 -10.022 1.00 1.19 H new ATOM 140 N ASP A 18 24.706 -18.989 -8.318 1.00 0.95 N ATOM 141 CA ASP A 18 25.900 -19.827 -8.238 1.00 1.09 C ATOM 142 C ASP A 18 26.225 -20.167 -6.787 1.00 1.01 C ATOM 143 O ASP A 18 26.541 -21.311 -6.471 1.00 1.05 O ATOM 144 CB ASP A 18 27.090 -19.125 -8.904 1.00 1.33 C ATOM 145 CG ASP A 18 27.485 -19.772 -10.219 1.00 1.90 C ATOM 146 OD1 ASP A 18 26.624 -19.860 -11.119 1.00 2.49 O ATOM 147 OD2 ASP A 18 28.655 -20.189 -10.350 1.00 2.48 O ATOM 0 H ASP A 18 24.827 -18.139 -8.869 1.00 0.95 H new ATOM 0 HA ASP A 18 25.702 -20.758 -8.770 1.00 1.09 H new ATOM 0 HB2 ASP A 18 26.839 -18.079 -9.079 1.00 1.33 H new ATOM 0 HB3 ASP A 18 27.943 -19.139 -8.225 1.00 1.33 H new ATOM 152 N GLU A 19 26.126 -19.174 -5.907 1.00 1.02 N ATOM 153 CA GLU A 19 26.388 -19.387 -4.484 1.00 1.12 C ATOM 154 C GLU A 19 25.317 -20.297 -3.899 1.00 0.89 C ATOM 155 O GLU A 19 25.611 -21.382 -3.391 1.00 0.88 O ATOM 156 CB GLU A 19 26.420 -18.054 -3.732 1.00 1.38 C ATOM 157 CG GLU A 19 27.169 -16.959 -4.470 1.00 2.04 C ATOM 158 CD GLU A 19 26.275 -15.797 -4.864 1.00 2.53 C ATOM 159 OE1 GLU A 19 25.803 -15.076 -3.959 1.00 3.07 O ATOM 160 OE2 GLU A 19 26.046 -15.606 -6.077 1.00 3.02 O ATOM 0 H GLU A 19 25.868 -18.218 -6.151 1.00 1.02 H new ATOM 0 HA GLU A 19 27.363 -19.861 -4.374 1.00 1.12 H new ATOM 0 HB2 GLU A 19 25.397 -17.724 -3.550 1.00 1.38 H new ATOM 0 HB3 GLU A 19 26.884 -18.207 -2.758 1.00 1.38 H new ATOM 0 HG2 GLU A 19 27.979 -16.591 -3.840 1.00 2.04 H new ATOM 0 HG3 GLU A 19 27.627 -17.379 -5.365 1.00 2.04 H new ATOM 167 N GLU A 20 24.063 -19.863 -3.997 1.00 0.84 N ATOM 168 CA GLU A 20 22.950 -20.666 -3.504 1.00 0.84 C ATOM 169 C GLU A 20 23.122 -22.104 -3.988 1.00 0.73 C ATOM 170 O GLU A 20 22.857 -23.061 -3.259 1.00 0.78 O ATOM 171 CB GLU A 20 21.614 -20.089 -3.992 1.00 1.03 C ATOM 172 CG GLU A 20 20.697 -19.614 -2.871 1.00 1.61 C ATOM 173 CD GLU A 20 20.435 -20.689 -1.830 1.00 1.98 C ATOM 174 OE1 GLU A 20 21.374 -21.037 -1.081 1.00 2.49 O ATOM 175 OE2 GLU A 20 19.291 -21.183 -1.763 1.00 2.50 O ATOM 0 H GLU A 20 23.795 -18.969 -4.409 1.00 0.84 H new ATOM 0 HA GLU A 20 22.944 -20.649 -2.414 1.00 0.84 H new ATOM 0 HB2 GLU A 20 21.814 -19.253 -4.662 1.00 1.03 H new ATOM 0 HB3 GLU A 20 21.094 -20.848 -4.576 1.00 1.03 H new ATOM 0 HG2 GLU A 20 21.143 -18.746 -2.386 1.00 1.61 H new ATOM 0 HG3 GLU A 20 19.748 -19.288 -3.297 1.00 1.61 H new ATOM 182 N SER A 21 23.605 -22.237 -5.223 1.00 0.75 N ATOM 183 CA SER A 21 23.860 -23.537 -5.818 1.00 0.89 C ATOM 184 C SER A 21 25.014 -24.214 -5.087 1.00 0.84 C ATOM 185 O SER A 21 24.927 -25.386 -4.724 1.00 0.91 O ATOM 186 CB SER A 21 24.182 -23.379 -7.309 1.00 1.14 C ATOM 187 OG SER A 21 23.010 -23.493 -8.100 1.00 1.59 O ATOM 0 H SER A 21 23.827 -21.449 -5.831 1.00 0.75 H new ATOM 0 HA SER A 21 22.970 -24.160 -5.725 1.00 0.89 H new ATOM 0 HB2 SER A 21 24.649 -22.409 -7.483 1.00 1.14 H new ATOM 0 HB3 SER A 21 24.903 -24.138 -7.611 1.00 1.14 H new ATOM 0 HG SER A 21 22.688 -22.599 -8.339 1.00 1.59 H new ATOM 193 N TRP A 22 26.088 -23.454 -4.842 1.00 0.91 N ATOM 194 CA TRP A 22 27.252 -23.979 -4.129 1.00 1.05 C ATOM 195 C TRP A 22 26.811 -24.669 -2.849 1.00 0.87 C ATOM 196 O TRP A 22 27.298 -25.744 -2.520 1.00 0.92 O ATOM 197 CB TRP A 22 28.261 -22.873 -3.791 1.00 1.38 C ATOM 198 CG TRP A 22 29.329 -23.336 -2.843 1.00 1.53 C ATOM 199 CD1 TRP A 22 30.507 -23.946 -3.169 1.00 2.19 C ATOM 200 CD2 TRP A 22 29.304 -23.252 -1.411 1.00 1.39 C ATOM 201 NE1 TRP A 22 31.208 -24.251 -2.028 1.00 2.16 N ATOM 202 CE2 TRP A 22 30.495 -23.830 -0.940 1.00 1.65 C ATOM 203 CE3 TRP A 22 28.394 -22.741 -0.482 1.00 1.73 C ATOM 204 CZ2 TRP A 22 30.798 -23.914 0.417 1.00 1.79 C ATOM 205 CZ3 TRP A 22 28.698 -22.823 0.864 1.00 2.24 C ATOM 206 CH2 TRP A 22 29.892 -23.406 1.301 1.00 2.11 C ATOM 0 H TRP A 22 26.173 -22.478 -5.127 1.00 0.91 H new ATOM 0 HA TRP A 22 27.743 -24.695 -4.788 1.00 1.05 H new ATOM 0 HB2 TRP A 22 28.726 -22.517 -4.710 1.00 1.38 H new ATOM 0 HB3 TRP A 22 27.733 -22.026 -3.352 1.00 1.38 H new ATOM 0 HD1 TRP A 22 30.838 -24.157 -4.175 1.00 2.19 H new ATOM 0 HE1 TRP A 22 32.115 -24.717 -1.997 1.00 2.16 H new ATOM 0 HE3 TRP A 22 27.469 -22.290 -0.810 1.00 1.73 H new ATOM 0 HZ2 TRP A 22 31.718 -24.366 0.757 1.00 1.79 H new ATOM 0 HZ3 TRP A 22 28.002 -22.430 1.590 1.00 2.24 H new ATOM 0 HH2 TRP A 22 30.101 -23.455 2.360 1.00 2.11 H new ATOM 217 N ILE A 23 25.890 -24.039 -2.125 1.00 0.80 N ATOM 218 CA ILE A 23 25.384 -24.617 -0.885 1.00 0.90 C ATOM 219 C ILE A 23 24.955 -26.062 -1.124 1.00 0.87 C ATOM 220 O ILE A 23 25.490 -26.995 -0.517 1.00 0.95 O ATOM 221 CB ILE A 23 24.186 -23.815 -0.323 1.00 1.16 C ATOM 222 CG1 ILE A 23 24.552 -22.333 -0.156 1.00 1.34 C ATOM 223 CG2 ILE A 23 23.721 -24.408 1.002 1.00 1.46 C ATOM 224 CD1 ILE A 23 25.205 -22.005 1.170 1.00 1.92 C ATOM 0 H ILE A 23 25.483 -23.137 -2.373 1.00 0.80 H new ATOM 0 HA ILE A 23 26.190 -24.580 -0.153 1.00 0.90 H new ATOM 0 HB ILE A 23 23.365 -23.882 -1.037 1.00 1.16 H new ATOM 0 HG12 ILE A 23 25.225 -22.043 -0.962 1.00 1.34 H new ATOM 0 HG13 ILE A 23 23.649 -21.732 -0.263 1.00 1.34 H new ATOM 0 HG21 ILE A 23 22.878 -23.831 1.383 1.00 1.46 H new ATOM 0 HG22 ILE A 23 23.414 -25.443 0.850 1.00 1.46 H new ATOM 0 HG23 ILE A 23 24.538 -24.374 1.722 1.00 1.46 H new ATOM 0 HD11 ILE A 23 25.433 -20.940 1.210 1.00 1.92 H new ATOM 0 HD12 ILE A 23 24.526 -22.262 1.983 1.00 1.92 H new ATOM 0 HD13 ILE A 23 26.127 -22.577 1.273 1.00 1.92 H new ATOM 236 N LYS A 24 24.001 -26.240 -2.033 1.00 0.92 N ATOM 237 CA LYS A 24 23.504 -27.567 -2.379 1.00 1.18 C ATOM 238 C LYS A 24 24.657 -28.484 -2.785 1.00 1.21 C ATOM 239 O LYS A 24 24.714 -29.645 -2.378 1.00 1.38 O ATOM 240 CB LYS A 24 22.483 -27.471 -3.517 1.00 1.40 C ATOM 241 CG LYS A 24 21.269 -28.375 -3.337 1.00 2.00 C ATOM 242 CD LYS A 24 21.601 -29.837 -3.601 1.00 2.68 C ATOM 243 CE LYS A 24 22.069 -30.063 -5.033 1.00 3.24 C ATOM 244 NZ LYS A 24 23.547 -30.218 -5.120 1.00 3.58 N ATOM 0 H LYS A 24 23.555 -25.479 -2.545 1.00 0.92 H new ATOM 0 HA LYS A 24 23.016 -27.991 -1.501 1.00 1.18 H new ATOM 0 HB2 LYS A 24 22.145 -26.438 -3.602 1.00 1.40 H new ATOM 0 HB3 LYS A 24 22.976 -27.724 -4.456 1.00 1.40 H new ATOM 0 HG2 LYS A 24 20.885 -28.268 -2.322 1.00 2.00 H new ATOM 0 HG3 LYS A 24 20.476 -28.056 -4.013 1.00 2.00 H new ATOM 0 HD2 LYS A 24 22.378 -30.164 -2.909 1.00 2.68 H new ATOM 0 HD3 LYS A 24 20.721 -30.450 -3.405 1.00 2.68 H new ATOM 0 HE2 LYS A 24 21.587 -30.954 -5.435 1.00 3.24 H new ATOM 0 HE3 LYS A 24 21.756 -29.223 -5.653 1.00 3.24 H new ATOM 0 HZ1 LYS A 24 23.777 -30.977 -5.793 1.00 3.58 H new ATOM 0 HZ2 LYS A 24 23.971 -29.326 -5.445 1.00 3.58 H new ATOM 0 HZ3 LYS A 24 23.926 -30.460 -4.182 1.00 3.58 H new ATOM 258 N GLU A 25 25.573 -27.955 -3.593 1.00 1.18 N ATOM 259 CA GLU A 25 26.727 -28.723 -4.059 1.00 1.40 C ATOM 260 C GLU A 25 27.550 -29.241 -2.885 1.00 1.37 C ATOM 261 O GLU A 25 27.945 -30.406 -2.865 1.00 1.59 O ATOM 262 CB GLU A 25 27.605 -27.867 -4.976 1.00 1.58 C ATOM 263 CG GLU A 25 27.244 -27.980 -6.448 1.00 2.34 C ATOM 264 CD GLU A 25 25.911 -27.337 -6.771 1.00 2.86 C ATOM 265 OE1 GLU A 25 24.868 -27.910 -6.391 1.00 3.45 O ATOM 266 OE2 GLU A 25 25.908 -26.260 -7.403 1.00 3.26 O ATOM 0 H GLU A 25 25.539 -26.996 -3.939 1.00 1.18 H new ATOM 0 HA GLU A 25 26.354 -29.579 -4.622 1.00 1.40 H new ATOM 0 HB2 GLU A 25 27.525 -26.824 -4.671 1.00 1.58 H new ATOM 0 HB3 GLU A 25 28.647 -28.159 -4.843 1.00 1.58 H new ATOM 0 HG2 GLU A 25 28.024 -27.511 -7.047 1.00 2.34 H new ATOM 0 HG3 GLU A 25 27.214 -29.032 -6.731 1.00 2.34 H new ATOM 273 N LYS A 26 27.804 -28.373 -1.906 1.00 1.19 N ATOM 274 CA LYS A 26 28.575 -28.760 -0.731 1.00 1.29 C ATOM 275 C LYS A 26 27.833 -29.845 0.032 1.00 1.31 C ATOM 276 O LYS A 26 28.398 -30.893 0.341 1.00 1.49 O ATOM 277 CB LYS A 26 28.845 -27.545 0.164 1.00 1.34 C ATOM 278 CG LYS A 26 29.270 -27.898 1.583 1.00 1.63 C ATOM 279 CD LYS A 26 30.654 -28.533 1.609 1.00 2.01 C ATOM 280 CE LYS A 26 31.223 -28.581 3.020 1.00 2.27 C ATOM 281 NZ LYS A 26 32.709 -28.677 3.017 1.00 2.77 N ATOM 0 H LYS A 26 27.488 -27.403 -1.905 1.00 1.19 H new ATOM 0 HA LYS A 26 29.539 -29.155 -1.052 1.00 1.29 H new ATOM 0 HB2 LYS A 26 29.623 -26.935 -0.295 1.00 1.34 H new ATOM 0 HB3 LYS A 26 27.944 -26.933 0.208 1.00 1.34 H new ATOM 0 HG2 LYS A 26 29.270 -26.998 2.199 1.00 1.63 H new ATOM 0 HG3 LYS A 26 28.545 -28.584 2.021 1.00 1.63 H new ATOM 0 HD2 LYS A 26 30.599 -29.543 1.204 1.00 2.01 H new ATOM 0 HD3 LYS A 26 31.326 -27.967 0.964 1.00 2.01 H new ATOM 0 HE2 LYS A 26 30.918 -27.688 3.565 1.00 2.27 H new ATOM 0 HE3 LYS A 26 30.805 -29.436 3.551 1.00 2.27 H new ATOM 0 HZ1 LYS A 26 33.060 -28.656 3.996 1.00 2.77 H new ATOM 0 HZ2 LYS A 26 32.998 -29.567 2.564 1.00 2.77 H new ATOM 0 HZ3 LYS A 26 33.108 -27.875 2.489 1.00 2.77 H new ATOM 295 N LYS A 27 26.555 -29.600 0.312 1.00 1.25 N ATOM 296 CA LYS A 27 25.732 -30.576 1.013 1.00 1.48 C ATOM 297 C LYS A 27 25.861 -31.939 0.335 1.00 1.65 C ATOM 298 O LYS A 27 26.003 -32.970 0.994 1.00 1.84 O ATOM 299 CB LYS A 27 24.269 -30.118 1.025 1.00 1.61 C ATOM 300 CG LYS A 27 23.300 -31.151 1.581 1.00 2.10 C ATOM 301 CD LYS A 27 22.643 -31.957 0.470 1.00 2.50 C ATOM 302 CE LYS A 27 22.098 -33.281 0.983 1.00 3.05 C ATOM 303 NZ LYS A 27 23.164 -34.122 1.595 1.00 3.62 N ATOM 0 H LYS A 27 26.071 -28.737 0.064 1.00 1.25 H new ATOM 0 HA LYS A 27 26.075 -30.662 2.044 1.00 1.48 H new ATOM 0 HB2 LYS A 27 24.190 -29.206 1.616 1.00 1.61 H new ATOM 0 HB3 LYS A 27 23.970 -29.865 0.008 1.00 1.61 H new ATOM 0 HG2 LYS A 27 23.831 -31.824 2.254 1.00 2.10 H new ATOM 0 HG3 LYS A 27 22.532 -30.650 2.171 1.00 2.10 H new ATOM 0 HD2 LYS A 27 21.833 -31.376 0.029 1.00 2.50 H new ATOM 0 HD3 LYS A 27 23.368 -32.144 -0.322 1.00 2.50 H new ATOM 0 HE2 LYS A 27 21.318 -33.091 1.720 1.00 3.05 H new ATOM 0 HE3 LYS A 27 21.634 -33.825 0.161 1.00 3.05 H new ATOM 0 HZ1 LYS A 27 23.235 -35.022 1.079 1.00 3.62 H new ATOM 0 HZ2 LYS A 27 24.074 -33.621 1.544 1.00 3.62 H new ATOM 0 HZ3 LYS A 27 22.929 -34.311 2.590 1.00 3.62 H new ATOM 317 N LEU A 28 25.825 -31.927 -0.996 1.00 1.65 N ATOM 318 CA LEU A 28 25.951 -33.149 -1.782 1.00 1.92 C ATOM 319 C LEU A 28 27.332 -33.768 -1.581 1.00 1.96 C ATOM 320 O LEU A 28 27.474 -34.988 -1.493 1.00 2.16 O ATOM 321 CB LEU A 28 25.721 -32.851 -3.269 1.00 2.05 C ATOM 322 CG LEU A 28 24.528 -33.572 -3.906 1.00 2.51 C ATOM 323 CD1 LEU A 28 24.754 -35.078 -3.912 1.00 2.78 C ATOM 324 CD2 LEU A 28 23.235 -33.224 -3.180 1.00 3.19 C ATOM 0 H LEU A 28 25.709 -31.080 -1.553 1.00 1.65 H new ATOM 0 HA LEU A 28 25.195 -33.858 -1.444 1.00 1.92 H new ATOM 0 HB2 LEU A 28 25.581 -31.777 -3.390 1.00 2.05 H new ATOM 0 HB3 LEU A 28 26.623 -33.119 -3.820 1.00 2.05 H new ATOM 0 HG LEU A 28 24.437 -33.235 -4.939 1.00 2.51 H new ATOM 0 HD11 LEU A 28 23.896 -35.573 -4.368 1.00 2.78 H new ATOM 0 HD12 LEU A 28 25.653 -35.309 -4.484 1.00 2.78 H new ATOM 0 HD13 LEU A 28 24.875 -35.432 -2.888 1.00 2.78 H new ATOM 0 HD21 LEU A 28 22.402 -33.747 -3.650 1.00 3.19 H new ATOM 0 HD22 LEU A 28 23.311 -33.527 -2.136 1.00 3.19 H new ATOM 0 HD23 LEU A 28 23.065 -32.149 -3.235 1.00 3.19 H new ATOM 336 N LEU A 29 28.349 -32.914 -1.504 1.00 1.84 N ATOM 337 CA LEU A 29 29.718 -33.375 -1.306 1.00 2.00 C ATOM 338 C LEU A 29 29.826 -34.140 0.006 1.00 2.03 C ATOM 339 O LEU A 29 30.441 -35.203 0.072 1.00 2.24 O ATOM 340 CB LEU A 29 30.694 -32.192 -1.310 1.00 2.00 C ATOM 341 CG LEU A 29 31.788 -32.254 -2.382 1.00 2.43 C ATOM 342 CD1 LEU A 29 31.188 -32.077 -3.770 1.00 3.08 C ATOM 343 CD2 LEU A 29 32.856 -31.201 -2.121 1.00 3.02 C ATOM 0 H LEU A 29 28.250 -31.901 -1.576 1.00 1.84 H new ATOM 0 HA LEU A 29 29.981 -34.040 -2.128 1.00 2.00 H new ATOM 0 HB2 LEU A 29 30.125 -31.272 -1.447 1.00 2.00 H new ATOM 0 HB3 LEU A 29 31.169 -32.130 -0.331 1.00 2.00 H new ATOM 0 HG LEU A 29 32.258 -33.236 -2.335 1.00 2.43 H new ATOM 0 HD11 LEU A 29 31.980 -32.124 -4.517 1.00 3.08 H new ATOM 0 HD12 LEU A 29 30.465 -32.870 -3.958 1.00 3.08 H new ATOM 0 HD13 LEU A 29 30.689 -31.110 -3.830 1.00 3.08 H new ATOM 0 HD21 LEU A 29 33.623 -31.262 -2.893 1.00 3.02 H new ATOM 0 HD22 LEU A 29 32.402 -30.210 -2.138 1.00 3.02 H new ATOM 0 HD23 LEU A 29 33.309 -31.376 -1.145 1.00 3.02 H new ATOM 355 N VAL A 30 29.206 -33.591 1.048 1.00 1.90 N ATOM 356 CA VAL A 30 29.217 -34.215 2.363 1.00 2.05 C ATOM 357 C VAL A 30 28.664 -35.635 2.286 1.00 2.27 C ATOM 358 O VAL A 30 29.176 -36.546 2.936 1.00 2.48 O ATOM 359 CB VAL A 30 28.410 -33.378 3.391 1.00 2.03 C ATOM 360 CG1 VAL A 30 27.123 -34.084 3.811 1.00 2.26 C ATOM 361 CG2 VAL A 30 29.266 -33.059 4.609 1.00 2.35 C ATOM 0 H VAL A 30 28.689 -32.713 1.004 1.00 1.90 H new ATOM 0 HA VAL A 30 30.252 -34.258 2.702 1.00 2.05 H new ATOM 0 HB VAL A 30 28.128 -32.444 2.905 1.00 2.03 H new ATOM 0 HG11 VAL A 30 26.587 -33.466 4.531 1.00 2.26 H new ATOM 0 HG12 VAL A 30 26.495 -34.248 2.935 1.00 2.26 H new ATOM 0 HG13 VAL A 30 27.367 -35.044 4.267 1.00 2.26 H new ATOM 0 HG21 VAL A 30 28.684 -32.472 5.319 1.00 2.35 H new ATOM 0 HG22 VAL A 30 29.586 -33.987 5.082 1.00 2.35 H new ATOM 0 HG23 VAL A 30 30.142 -32.489 4.299 1.00 2.35 H new ATOM 371 N SER A 31 27.620 -35.811 1.479 1.00 2.30 N ATOM 372 CA SER A 31 26.999 -37.118 1.303 1.00 2.61 C ATOM 373 C SER A 31 27.988 -38.099 0.684 1.00 2.74 C ATOM 374 O SER A 31 27.989 -39.286 1.013 1.00 3.01 O ATOM 375 CB SER A 31 25.754 -37.004 0.420 1.00 2.70 C ATOM 376 OG SER A 31 25.009 -35.837 0.726 1.00 2.71 O ATOM 0 H SER A 31 27.187 -35.063 0.937 1.00 2.30 H new ATOM 0 HA SER A 31 26.702 -37.490 2.283 1.00 2.61 H new ATOM 0 HB2 SER A 31 26.050 -36.984 -0.629 1.00 2.70 H new ATOM 0 HB3 SER A 31 25.127 -37.885 0.557 1.00 2.70 H new ATOM 0 HG SER A 31 24.665 -35.442 -0.102 1.00 2.71 H new ATOM 382 N SER A 32 28.829 -37.591 -0.213 1.00 2.63 N ATOM 383 CA SER A 32 29.831 -38.416 -0.880 1.00 2.85 C ATOM 384 C SER A 32 30.960 -38.773 0.083 1.00 2.93 C ATOM 385 O SER A 32 31.398 -39.922 0.122 1.00 3.19 O ATOM 386 CB SER A 32 30.391 -37.689 -2.105 1.00 2.84 C ATOM 387 OG SER A 32 29.362 -37.029 -2.824 1.00 3.16 O ATOM 0 H SER A 32 28.836 -36.611 -0.495 1.00 2.63 H new ATOM 0 HA SER A 32 29.352 -39.338 -1.209 1.00 2.85 H new ATOM 0 HB2 SER A 32 31.141 -36.963 -1.789 1.00 2.84 H new ATOM 0 HB3 SER A 32 30.893 -38.403 -2.757 1.00 2.84 H new ATOM 0 HG SER A 32 29.747 -36.571 -3.600 1.00 3.16 H new ATOM 393 N GLU A 33 31.397 -37.766 0.852 1.00 2.79 N ATOM 394 CA GLU A 33 32.470 -37.888 1.857 1.00 2.95 C ATOM 395 C GLU A 33 33.421 -36.694 1.775 1.00 3.13 C ATOM 396 O GLU A 33 34.304 -36.536 2.619 1.00 3.53 O ATOM 397 CB GLU A 33 33.267 -39.194 1.725 1.00 3.57 C ATOM 398 CG GLU A 33 32.640 -40.372 2.464 1.00 3.89 C ATOM 399 CD GLU A 33 32.869 -40.321 3.963 1.00 3.97 C ATOM 400 OE1 GLU A 33 32.304 -39.421 4.619 1.00 4.15 O ATOM 401 OE2 GLU A 33 33.615 -41.181 4.480 1.00 4.37 O ATOM 0 H GLU A 33 31.009 -36.824 0.794 1.00 2.79 H new ATOM 0 HA GLU A 33 31.979 -37.904 2.830 1.00 2.95 H new ATOM 0 HB2 GLU A 33 33.360 -39.447 0.669 1.00 3.57 H new ATOM 0 HB3 GLU A 33 34.276 -39.034 2.105 1.00 3.57 H new ATOM 0 HG2 GLU A 33 31.568 -40.389 2.266 1.00 3.89 H new ATOM 0 HG3 GLU A 33 33.052 -41.301 2.070 1.00 3.89 H new ATOM 408 N ASP A 34 33.219 -35.851 0.762 1.00 3.39 N ATOM 409 CA ASP A 34 34.036 -34.652 0.557 1.00 4.20 C ATOM 410 C ASP A 34 35.509 -34.994 0.327 1.00 4.34 C ATOM 411 O ASP A 34 36.181 -35.528 1.208 1.00 4.57 O ATOM 412 CB ASP A 34 33.902 -33.698 1.753 1.00 4.70 C ATOM 413 CG ASP A 34 33.432 -34.402 3.015 1.00 4.63 C ATOM 414 OD1 ASP A 34 32.505 -35.235 2.923 1.00 4.83 O ATOM 415 OD2 ASP A 34 33.985 -34.117 4.098 1.00 4.85 O ATOM 0 H ASP A 34 32.488 -35.978 0.062 1.00 3.39 H new ATOM 0 HA ASP A 34 33.664 -34.160 -0.342 1.00 4.20 H new ATOM 0 HB2 ASP A 34 34.865 -33.224 1.944 1.00 4.70 H new ATOM 0 HB3 ASP A 34 33.199 -32.904 1.502 1.00 4.70 H new ATOM 420 N TYR A 35 36.004 -34.660 -0.864 1.00 4.62 N ATOM 421 CA TYR A 35 37.401 -34.904 -1.232 1.00 5.01 C ATOM 422 C TYR A 35 37.768 -36.387 -1.131 1.00 4.75 C ATOM 423 O TYR A 35 38.629 -36.774 -0.339 1.00 5.05 O ATOM 424 CB TYR A 35 38.346 -34.064 -0.361 1.00 5.66 C ATOM 425 CG TYR A 35 39.565 -33.570 -1.108 1.00 6.44 C ATOM 426 CD1 TYR A 35 40.587 -34.441 -1.463 1.00 6.95 C ATOM 427 CD2 TYR A 35 39.700 -32.228 -1.447 1.00 6.97 C ATOM 428 CE1 TYR A 35 41.708 -33.991 -2.133 1.00 7.93 C ATOM 429 CE2 TYR A 35 40.817 -31.772 -2.119 1.00 7.94 C ATOM 430 CZ TYR A 35 41.794 -32.664 -2.506 1.00 8.40 C ATOM 431 OH TYR A 35 42.933 -32.205 -3.128 1.00 9.52 O ATOM 0 H TYR A 35 35.453 -34.215 -1.598 1.00 4.62 H new ATOM 0 HA TYR A 35 37.517 -34.604 -2.273 1.00 5.01 H new ATOM 0 HB2 TYR A 35 37.800 -33.208 0.035 1.00 5.66 H new ATOM 0 HB3 TYR A 35 38.668 -34.660 0.493 1.00 5.66 H new ATOM 0 HD1 TYR A 35 40.504 -35.488 -1.211 1.00 6.95 H new ATOM 0 HD2 TYR A 35 38.919 -31.531 -1.181 1.00 6.97 H new ATOM 0 HE1 TYR A 35 42.513 -34.673 -2.364 1.00 7.93 H new ATOM 0 HE2 TYR A 35 40.925 -30.720 -2.340 1.00 7.94 H new ATOM 0 HH TYR A 35 42.835 -31.250 -3.327 1.00 9.52 H new ATOM 441 N GLY A 36 37.125 -37.206 -1.959 1.00 4.65 N ATOM 442 CA GLY A 36 37.405 -38.634 -1.974 1.00 4.85 C ATOM 443 C GLY A 36 37.192 -39.313 -0.633 1.00 4.72 C ATOM 444 O GLY A 36 36.871 -38.664 0.364 1.00 4.78 O ATOM 0 H GLY A 36 36.412 -36.906 -2.623 1.00 4.65 H new ATOM 0 HA2 GLY A 36 36.768 -39.112 -2.718 1.00 4.85 H new ATOM 0 HA3 GLY A 36 38.437 -38.789 -2.290 1.00 4.85 H new ATOM 448 N ARG A 37 37.373 -40.634 -0.619 1.00 4.88 N ATOM 449 CA ARG A 37 37.204 -41.431 0.592 1.00 4.91 C ATOM 450 C ARG A 37 37.903 -42.777 0.450 1.00 4.57 C ATOM 451 O ARG A 37 37.570 -43.570 -0.433 1.00 4.62 O ATOM 452 CB ARG A 37 35.715 -41.649 0.885 1.00 5.47 C ATOM 453 CG ARG A 37 35.427 -42.842 1.796 1.00 5.76 C ATOM 454 CD ARG A 37 34.978 -44.067 1.007 1.00 5.57 C ATOM 455 NE ARG A 37 33.592 -44.435 1.301 1.00 6.10 N ATOM 456 CZ ARG A 37 32.535 -43.704 0.946 1.00 6.73 C ATOM 457 NH1 ARG A 37 32.701 -42.578 0.265 1.00 7.28 N ATOM 458 NH2 ARG A 37 31.312 -44.102 1.266 1.00 7.03 N ATOM 0 H ARG A 37 37.639 -41.176 -1.441 1.00 4.88 H new ATOM 0 HA ARG A 37 37.654 -40.887 1.422 1.00 4.91 H new ATOM 0 HB2 ARG A 37 35.310 -40.748 1.346 1.00 5.47 H new ATOM 0 HB3 ARG A 37 35.187 -41.790 -0.058 1.00 5.47 H new ATOM 0 HG2 ARG A 37 36.323 -43.087 2.367 1.00 5.76 H new ATOM 0 HG3 ARG A 37 34.654 -42.571 2.515 1.00 5.76 H new ATOM 0 HD2 ARG A 37 35.081 -43.868 -0.060 1.00 5.57 H new ATOM 0 HD3 ARG A 37 35.633 -44.907 1.239 1.00 5.57 H new ATOM 0 HE ARG A 37 33.425 -45.304 1.808 1.00 6.10 H new ATOM 0 HH11 ARG A 37 33.639 -42.269 0.011 1.00 7.28 H new ATOM 0 HH12 ARG A 37 31.890 -42.021 -0.005 1.00 7.28 H new ATOM 0 HH21 ARG A 37 31.178 -44.970 1.785 1.00 7.03 H new ATOM 0 HH22 ARG A 37 30.505 -43.541 0.993 1.00 7.03 H new ATOM 472 N ASP A 38 38.856 -43.034 1.337 1.00 4.69 N ATOM 473 CA ASP A 38 39.589 -44.296 1.332 1.00 4.86 C ATOM 474 C ASP A 38 38.740 -45.379 1.988 1.00 4.66 C ATOM 475 O ASP A 38 38.818 -46.547 1.610 1.00 4.86 O ATOM 476 CB ASP A 38 40.928 -44.149 2.066 1.00 5.43 C ATOM 477 CG ASP A 38 40.852 -43.197 3.246 1.00 5.48 C ATOM 478 OD1 ASP A 38 39.758 -43.060 3.828 1.00 5.43 O ATOM 479 OD2 ASP A 38 41.887 -42.587 3.585 1.00 5.96 O ATOM 0 H ASP A 38 39.141 -42.385 2.071 1.00 4.69 H new ATOM 0 HA ASP A 38 39.800 -44.579 0.301 1.00 4.86 H new ATOM 0 HB2 ASP A 38 41.254 -45.128 2.416 1.00 5.43 H new ATOM 0 HB3 ASP A 38 41.683 -43.793 1.366 1.00 5.43 H new ATOM 484 N LEU A 39 37.924 -44.951 2.963 1.00 4.60 N ATOM 485 CA LEU A 39 37.008 -45.820 3.715 1.00 4.67 C ATOM 486 C LEU A 39 37.296 -45.745 5.214 1.00 4.33 C ATOM 487 O LEU A 39 37.583 -46.754 5.859 1.00 4.41 O ATOM 488 CB LEU A 39 37.054 -47.276 3.227 1.00 4.84 C ATOM 489 CG LEU A 39 36.005 -48.208 3.847 1.00 5.16 C ATOM 490 CD1 LEU A 39 34.604 -47.811 3.398 1.00 5.40 C ATOM 491 CD2 LEU A 39 36.297 -49.656 3.479 1.00 5.47 C ATOM 0 H LEU A 39 37.882 -43.975 3.255 1.00 4.60 H new ATOM 0 HA LEU A 39 35.998 -45.451 3.533 1.00 4.67 H new ATOM 0 HB2 LEU A 39 36.928 -47.283 2.144 1.00 4.84 H new ATOM 0 HB3 LEU A 39 38.044 -47.681 3.435 1.00 4.84 H new ATOM 0 HG LEU A 39 36.056 -48.112 4.932 1.00 5.16 H new ATOM 0 HD11 LEU A 39 33.874 -48.483 3.848 1.00 5.40 H new ATOM 0 HD12 LEU A 39 34.397 -46.788 3.712 1.00 5.40 H new ATOM 0 HD13 LEU A 39 34.538 -47.877 2.312 1.00 5.40 H new ATOM 0 HD21 LEU A 39 35.544 -50.304 3.927 1.00 5.47 H new ATOM 0 HD22 LEU A 39 36.274 -49.768 2.395 1.00 5.47 H new ATOM 0 HD23 LEU A 39 37.283 -49.934 3.851 1.00 5.47 H new ATOM 503 N THR A 40 37.203 -44.533 5.761 1.00 4.12 N ATOM 504 CA THR A 40 37.432 -44.307 7.190 1.00 3.95 C ATOM 505 C THR A 40 36.603 -43.123 7.678 1.00 3.81 C ATOM 506 O THR A 40 37.132 -42.040 7.915 1.00 3.56 O ATOM 507 CB THR A 40 38.918 -44.059 7.472 1.00 3.89 C ATOM 508 OG1 THR A 40 39.123 -43.754 8.842 1.00 4.22 O ATOM 509 CG2 THR A 40 39.505 -42.926 6.655 1.00 3.59 C ATOM 0 H THR A 40 36.970 -43.690 5.236 1.00 4.12 H new ATOM 0 HA THR A 40 37.124 -45.203 7.729 1.00 3.95 H new ATOM 0 HB THR A 40 39.423 -44.983 7.192 1.00 3.89 H new ATOM 0 HG1 THR A 40 40.077 -43.600 9.004 1.00 4.22 H new ATOM 0 HG21 THR A 40 40.559 -42.805 6.905 1.00 3.59 H new ATOM 0 HG22 THR A 40 39.407 -43.154 5.594 1.00 3.59 H new ATOM 0 HG23 THR A 40 38.971 -42.002 6.878 1.00 3.59 H new ATOM 517 N GLY A 41 35.298 -43.341 7.817 1.00 4.04 N ATOM 518 CA GLY A 41 34.396 -42.288 8.263 1.00 4.02 C ATOM 519 C GLY A 41 34.967 -41.404 9.360 1.00 3.78 C ATOM 520 O GLY A 41 35.005 -40.185 9.214 1.00 3.57 O ATOM 0 H GLY A 41 34.845 -44.235 7.627 1.00 4.04 H new ATOM 0 HA2 GLY A 41 34.133 -41.664 7.409 1.00 4.02 H new ATOM 0 HA3 GLY A 41 33.473 -42.743 8.622 1.00 4.02 H new ATOM 524 N VAL A 42 35.393 -42.012 10.464 1.00 3.86 N ATOM 525 CA VAL A 42 35.942 -41.264 11.601 1.00 3.76 C ATOM 526 C VAL A 42 37.011 -40.253 11.184 1.00 3.39 C ATOM 527 O VAL A 42 36.854 -39.050 11.401 1.00 3.25 O ATOM 528 CB VAL A 42 36.540 -42.211 12.667 1.00 3.99 C ATOM 529 CG1 VAL A 42 35.518 -42.503 13.757 1.00 4.39 C ATOM 530 CG2 VAL A 42 37.038 -43.503 12.032 1.00 4.39 C ATOM 0 H VAL A 42 35.370 -43.023 10.599 1.00 3.86 H new ATOM 0 HA VAL A 42 35.099 -40.718 12.025 1.00 3.76 H new ATOM 0 HB VAL A 42 37.395 -41.711 13.123 1.00 3.99 H new ATOM 0 HG11 VAL A 42 35.957 -43.171 14.498 1.00 4.39 H new ATOM 0 HG12 VAL A 42 35.223 -41.571 14.238 1.00 4.39 H new ATOM 0 HG13 VAL A 42 34.641 -42.977 13.316 1.00 4.39 H new ATOM 0 HG21 VAL A 42 37.454 -44.151 12.804 1.00 4.39 H new ATOM 0 HG22 VAL A 42 36.208 -44.010 11.540 1.00 4.39 H new ATOM 0 HG23 VAL A 42 37.809 -43.273 11.297 1.00 4.39 H new ATOM 540 N GLN A 43 38.102 -40.733 10.594 1.00 3.28 N ATOM 541 CA GLN A 43 39.179 -39.845 10.170 1.00 3.01 C ATOM 542 C GLN A 43 38.711 -38.952 9.029 1.00 2.82 C ATOM 543 O GLN A 43 39.245 -37.863 8.813 1.00 2.61 O ATOM 544 CB GLN A 43 40.410 -40.652 9.752 1.00 3.07 C ATOM 545 CG GLN A 43 40.920 -41.590 10.837 1.00 3.47 C ATOM 546 CD GLN A 43 41.199 -40.876 12.146 1.00 3.77 C ATOM 547 OE1 GLN A 43 40.488 -41.063 13.133 1.00 4.06 O ATOM 548 NE2 GLN A 43 42.237 -40.048 12.159 1.00 4.24 N ATOM 0 H GLN A 43 38.263 -41.721 10.400 1.00 3.28 H new ATOM 0 HA GLN A 43 39.457 -39.212 11.013 1.00 3.01 H new ATOM 0 HB2 GLN A 43 40.168 -41.235 8.864 1.00 3.07 H new ATOM 0 HB3 GLN A 43 41.208 -39.964 9.474 1.00 3.07 H new ATOM 0 HG2 GLN A 43 40.184 -42.376 11.007 1.00 3.47 H new ATOM 0 HG3 GLN A 43 41.832 -42.076 10.492 1.00 3.47 H new ATOM 0 HE21 GLN A 43 42.800 -39.923 11.318 1.00 4.24 H new ATOM 0 HE22 GLN A 43 42.471 -39.537 13.010 1.00 4.24 H new ATOM 557 N ASN A 44 37.689 -39.413 8.317 1.00 2.97 N ATOM 558 CA ASN A 44 37.121 -38.658 7.209 1.00 2.93 C ATOM 559 C ASN A 44 36.331 -37.470 7.745 1.00 2.82 C ATOM 560 O ASN A 44 36.303 -36.406 7.134 1.00 2.66 O ATOM 561 CB ASN A 44 36.226 -39.560 6.351 1.00 3.26 C ATOM 562 CG ASN A 44 34.986 -38.852 5.849 1.00 3.37 C ATOM 563 OD1 ASN A 44 34.932 -38.412 4.702 1.00 3.42 O ATOM 564 ND2 ASN A 44 33.984 -38.735 6.712 1.00 3.83 N ATOM 0 H ASN A 44 37.236 -40.310 8.489 1.00 2.97 H new ATOM 0 HA ASN A 44 37.930 -38.286 6.581 1.00 2.93 H new ATOM 0 HB2 ASN A 44 36.799 -39.927 5.499 1.00 3.26 H new ATOM 0 HB3 ASN A 44 35.930 -40.431 6.935 1.00 3.26 H new ATOM 0 HD21 ASN A 44 33.123 -38.264 6.433 1.00 3.83 H new ATOM 0 HD22 ASN A 44 34.075 -39.116 7.654 1.00 3.83 H new ATOM 571 N LEU A 45 35.706 -37.661 8.903 1.00 3.00 N ATOM 572 CA LEU A 45 34.930 -36.606 9.541 1.00 3.01 C ATOM 573 C LEU A 45 35.843 -35.431 9.872 1.00 2.73 C ATOM 574 O LEU A 45 35.617 -34.306 9.422 1.00 2.57 O ATOM 575 CB LEU A 45 34.252 -37.142 10.807 1.00 3.36 C ATOM 576 CG LEU A 45 32.947 -36.438 11.198 1.00 3.84 C ATOM 577 CD1 LEU A 45 32.275 -37.169 12.351 1.00 4.23 C ATOM 578 CD2 LEU A 45 33.208 -34.983 11.564 1.00 4.27 C ATOM 0 H LEU A 45 35.723 -38.541 9.419 1.00 3.00 H new ATOM 0 HA LEU A 45 34.152 -36.264 8.858 1.00 3.01 H new ATOM 0 HB2 LEU A 45 34.046 -38.203 10.668 1.00 3.36 H new ATOM 0 HB3 LEU A 45 34.953 -37.060 11.638 1.00 3.36 H new ATOM 0 HG LEU A 45 32.276 -36.456 10.339 1.00 3.84 H new ATOM 0 HD11 LEU A 45 31.350 -36.657 12.617 1.00 4.23 H new ATOM 0 HD12 LEU A 45 32.050 -38.192 12.051 1.00 4.23 H new ATOM 0 HD13 LEU A 45 32.943 -37.182 13.212 1.00 4.23 H new ATOM 0 HD21 LEU A 45 32.269 -34.503 11.838 1.00 4.27 H new ATOM 0 HD22 LEU A 45 33.898 -34.938 12.407 1.00 4.27 H new ATOM 0 HD23 LEU A 45 33.644 -34.466 10.710 1.00 4.27 H new ATOM 590 N ARG A 46 36.894 -35.707 10.641 1.00 2.73 N ATOM 591 CA ARG A 46 37.861 -34.677 11.007 1.00 2.59 C ATOM 592 C ARG A 46 38.418 -34.022 9.746 1.00 2.28 C ATOM 593 O ARG A 46 38.604 -32.805 9.690 1.00 2.17 O ATOM 594 CB ARG A 46 39.001 -35.280 11.832 1.00 2.76 C ATOM 595 CG ARG A 46 38.910 -34.973 13.319 1.00 2.97 C ATOM 596 CD ARG A 46 39.789 -35.905 14.144 1.00 3.51 C ATOM 597 NE ARG A 46 39.044 -36.557 15.217 1.00 4.06 N ATOM 598 CZ ARG A 46 38.085 -37.457 15.013 1.00 4.80 C ATOM 599 NH1 ARG A 46 37.767 -37.818 13.778 1.00 5.49 N ATOM 600 NH2 ARG A 46 37.444 -37.996 16.041 1.00 5.15 N ATOM 0 H ARG A 46 37.097 -36.632 11.021 1.00 2.73 H new ATOM 0 HA ARG A 46 37.358 -33.923 11.612 1.00 2.59 H new ATOM 0 HB2 ARG A 46 39.005 -36.361 11.693 1.00 2.76 H new ATOM 0 HB3 ARG A 46 39.951 -34.906 11.450 1.00 2.76 H new ATOM 0 HG2 ARG A 46 39.209 -33.940 13.496 1.00 2.97 H new ATOM 0 HG3 ARG A 46 37.874 -35.065 13.647 1.00 2.97 H new ATOM 0 HD2 ARG A 46 40.224 -36.663 13.493 1.00 3.51 H new ATOM 0 HD3 ARG A 46 40.617 -35.338 14.571 1.00 3.51 H new ATOM 0 HE ARG A 46 39.272 -36.308 16.180 1.00 4.06 H new ATOM 0 HH11 ARG A 46 38.257 -37.406 12.984 1.00 5.49 H new ATOM 0 HH12 ARG A 46 37.032 -38.508 13.622 1.00 5.49 H new ATOM 0 HH21 ARG A 46 37.685 -37.721 16.993 1.00 5.15 H new ATOM 0 HH22 ARG A 46 36.710 -38.685 15.880 1.00 5.15 H new ATOM 614 N LYS A 47 38.673 -34.847 8.732 1.00 2.24 N ATOM 615 CA LYS A 47 39.198 -34.367 7.458 1.00 2.12 C ATOM 616 C LYS A 47 38.212 -33.398 6.814 1.00 2.02 C ATOM 617 O LYS A 47 38.599 -32.334 6.331 1.00 1.89 O ATOM 618 CB LYS A 47 39.480 -35.556 6.526 1.00 2.32 C ATOM 619 CG LYS A 47 39.467 -35.211 5.040 1.00 2.70 C ATOM 620 CD LYS A 47 38.140 -35.582 4.384 1.00 3.12 C ATOM 621 CE LYS A 47 38.228 -36.905 3.635 1.00 3.66 C ATOM 622 NZ LYS A 47 36.921 -37.292 3.034 1.00 4.30 N ATOM 0 H LYS A 47 38.523 -35.855 8.770 1.00 2.24 H new ATOM 0 HA LYS A 47 40.133 -33.836 7.635 1.00 2.12 H new ATOM 0 HB2 LYS A 47 40.453 -35.978 6.780 1.00 2.32 H new ATOM 0 HB3 LYS A 47 38.738 -36.332 6.713 1.00 2.32 H new ATOM 0 HG2 LYS A 47 39.650 -34.144 4.913 1.00 2.70 H new ATOM 0 HG3 LYS A 47 40.280 -35.735 4.538 1.00 2.70 H new ATOM 0 HD2 LYS A 47 37.364 -35.647 5.146 1.00 3.12 H new ATOM 0 HD3 LYS A 47 37.843 -34.793 3.693 1.00 3.12 H new ATOM 0 HE2 LYS A 47 38.980 -36.828 2.850 1.00 3.66 H new ATOM 0 HE3 LYS A 47 38.559 -37.687 4.318 1.00 3.66 H new ATOM 0 HZ1 LYS A 47 37.082 -37.958 2.252 1.00 4.30 H new ATOM 0 HZ2 LYS A 47 36.327 -37.745 3.758 1.00 4.30 H new ATOM 0 HZ3 LYS A 47 36.440 -36.444 2.672 1.00 4.30 H new ATOM 636 N LYS A 48 36.934 -33.766 6.823 1.00 2.17 N ATOM 637 CA LYS A 48 35.892 -32.920 6.255 1.00 2.20 C ATOM 638 C LYS A 48 35.896 -31.567 6.953 1.00 2.02 C ATOM 639 O LYS A 48 35.938 -30.525 6.305 1.00 1.90 O ATOM 640 CB LYS A 48 34.521 -33.589 6.401 1.00 2.54 C ATOM 641 CG LYS A 48 34.167 -34.513 5.244 1.00 3.02 C ATOM 642 CD LYS A 48 33.209 -35.618 5.671 1.00 3.19 C ATOM 643 CE LYS A 48 31.935 -35.604 4.842 1.00 3.73 C ATOM 644 NZ LYS A 48 31.062 -36.776 5.136 1.00 4.17 N ATOM 0 H LYS A 48 36.596 -34.644 7.217 1.00 2.17 H new ATOM 0 HA LYS A 48 36.091 -32.776 5.193 1.00 2.20 H new ATOM 0 HB2 LYS A 48 34.502 -34.159 7.330 1.00 2.54 H new ATOM 0 HB3 LYS A 48 33.756 -32.817 6.485 1.00 2.54 H new ATOM 0 HG2 LYS A 48 33.715 -33.932 4.440 1.00 3.02 H new ATOM 0 HG3 LYS A 48 35.078 -34.957 4.843 1.00 3.02 H new ATOM 0 HD2 LYS A 48 33.700 -36.586 5.569 1.00 3.19 H new ATOM 0 HD3 LYS A 48 32.959 -35.497 6.725 1.00 3.19 H new ATOM 0 HE2 LYS A 48 31.385 -34.684 5.039 1.00 3.73 H new ATOM 0 HE3 LYS A 48 32.192 -35.601 3.783 1.00 3.73 H new ATOM 0 HZ1 LYS A 48 30.265 -36.791 4.468 1.00 4.17 H new ATOM 0 HZ2 LYS A 48 31.613 -37.653 5.038 1.00 4.17 H new ATOM 0 HZ3 LYS A 48 30.698 -36.703 6.108 1.00 4.17 H new ATOM 658 N HIS A 49 35.874 -31.599 8.283 1.00 2.10 N ATOM 659 CA HIS A 49 35.892 -30.381 9.084 1.00 2.10 C ATOM 660 C HIS A 49 37.041 -29.472 8.650 1.00 1.82 C ATOM 661 O HIS A 49 36.830 -28.302 8.331 1.00 1.72 O ATOM 662 CB HIS A 49 36.019 -30.731 10.572 1.00 2.37 C ATOM 663 CG HIS A 49 36.665 -29.660 11.399 1.00 2.66 C ATOM 664 ND1 HIS A 49 36.176 -28.379 11.518 1.00 2.97 N ATOM 665 CD2 HIS A 49 37.791 -29.701 12.155 1.00 3.22 C ATOM 666 CE1 HIS A 49 37.001 -27.696 12.324 1.00 3.47 C ATOM 667 NE2 HIS A 49 37.998 -28.455 12.738 1.00 3.60 N ATOM 0 H HIS A 49 35.844 -32.460 8.829 1.00 2.10 H new ATOM 0 HA HIS A 49 34.955 -29.847 8.928 1.00 2.10 H new ATOM 0 HB2 HIS A 49 35.026 -30.935 10.972 1.00 2.37 H new ATOM 0 HB3 HIS A 49 36.597 -31.650 10.670 1.00 2.37 H new ATOM 0 HD1 HIS A 49 35.335 -28.014 11.072 1.00 2.97 H new ATOM 0 HD2 HIS A 49 38.426 -30.565 12.284 1.00 3.22 H new ATOM 0 HE1 HIS A 49 36.867 -26.660 12.599 1.00 3.47 H new ATOM 675 N LYS A 50 38.258 -30.019 8.635 1.00 1.76 N ATOM 676 CA LYS A 50 39.431 -29.252 8.230 1.00 1.67 C ATOM 677 C LYS A 50 39.197 -28.604 6.868 1.00 1.49 C ATOM 678 O LYS A 50 39.440 -27.411 6.684 1.00 1.46 O ATOM 679 CB LYS A 50 40.670 -30.152 8.176 1.00 1.79 C ATOM 680 CG LYS A 50 41.537 -30.076 9.425 1.00 2.13 C ATOM 681 CD LYS A 50 40.843 -30.699 10.629 1.00 2.64 C ATOM 682 CE LYS A 50 41.381 -30.142 11.939 1.00 3.07 C ATOM 683 NZ LYS A 50 40.993 -28.717 12.144 1.00 3.17 N ATOM 0 H LYS A 50 38.454 -30.985 8.898 1.00 1.76 H new ATOM 0 HA LYS A 50 39.600 -28.469 8.969 1.00 1.67 H new ATOM 0 HB2 LYS A 50 40.352 -31.184 8.027 1.00 1.79 H new ATOM 0 HB3 LYS A 50 41.271 -29.876 7.310 1.00 1.79 H new ATOM 0 HG2 LYS A 50 42.482 -30.588 9.244 1.00 2.13 H new ATOM 0 HG3 LYS A 50 41.775 -29.034 9.640 1.00 2.13 H new ATOM 0 HD2 LYS A 50 39.771 -30.513 10.568 1.00 2.64 H new ATOM 0 HD3 LYS A 50 40.981 -31.780 10.609 1.00 2.64 H new ATOM 0 HE2 LYS A 50 41.007 -30.742 12.768 1.00 3.07 H new ATOM 0 HE3 LYS A 50 42.468 -30.226 11.949 1.00 3.07 H new ATOM 0 HZ1 LYS A 50 41.818 -28.176 12.473 1.00 3.17 H new ATOM 0 HZ2 LYS A 50 40.653 -28.317 11.246 1.00 3.17 H new ATOM 0 HZ3 LYS A 50 40.237 -28.662 12.856 1.00 3.17 H new ATOM 697 N ARG A 51 38.710 -29.401 5.922 1.00 1.50 N ATOM 698 CA ARG A 51 38.426 -28.909 4.579 1.00 1.50 C ATOM 699 C ARG A 51 37.419 -27.767 4.639 1.00 1.38 C ATOM 700 O ARG A 51 37.524 -26.787 3.901 1.00 1.27 O ATOM 701 CB ARG A 51 37.886 -30.045 3.702 1.00 1.77 C ATOM 702 CG ARG A 51 38.765 -30.367 2.503 1.00 2.17 C ATOM 703 CD ARG A 51 38.372 -29.550 1.282 1.00 2.52 C ATOM 704 NE ARG A 51 36.959 -29.724 0.939 1.00 2.87 N ATOM 705 CZ ARG A 51 36.039 -28.769 1.052 1.00 3.47 C ATOM 706 NH1 ARG A 51 36.383 -27.573 1.509 1.00 3.79 N ATOM 707 NH2 ARG A 51 34.783 -29.002 0.698 1.00 4.13 N ATOM 0 H ARG A 51 38.504 -30.390 6.061 1.00 1.50 H new ATOM 0 HA ARG A 51 39.352 -28.537 4.140 1.00 1.50 H new ATOM 0 HB2 ARG A 51 37.777 -30.942 4.312 1.00 1.77 H new ATOM 0 HB3 ARG A 51 36.890 -29.777 3.349 1.00 1.77 H new ATOM 0 HG2 ARG A 51 39.808 -30.170 2.753 1.00 2.17 H new ATOM 0 HG3 ARG A 51 38.688 -31.429 2.270 1.00 2.17 H new ATOM 0 HD2 ARG A 51 38.572 -28.495 1.471 1.00 2.52 H new ATOM 0 HD3 ARG A 51 38.990 -29.845 0.434 1.00 2.52 H new ATOM 0 HE ARG A 51 36.661 -30.635 0.591 1.00 2.87 H new ATOM 0 HH11 ARG A 51 37.351 -27.387 1.773 1.00 3.79 H new ATOM 0 HH12 ARG A 51 35.680 -26.839 1.597 1.00 3.79 H new ATOM 0 HH21 ARG A 51 34.517 -29.918 0.336 1.00 4.13 H new ATOM 0 HH22 ARG A 51 34.083 -28.266 0.787 1.00 4.13 H new ATOM 721 N LEU A 52 36.451 -27.901 5.540 1.00 1.51 N ATOM 722 CA LEU A 52 35.422 -26.887 5.724 1.00 1.55 C ATOM 723 C LEU A 52 36.058 -25.558 6.111 1.00 1.33 C ATOM 724 O LEU A 52 35.814 -24.538 5.474 1.00 1.22 O ATOM 725 CB LEU A 52 34.427 -27.331 6.801 1.00 1.88 C ATOM 726 CG LEU A 52 33.009 -26.772 6.655 1.00 2.21 C ATOM 727 CD1 LEU A 52 32.055 -27.503 7.590 1.00 2.58 C ATOM 728 CD2 LEU A 52 32.987 -25.274 6.929 1.00 2.90 C ATOM 0 H LEU A 52 36.359 -28.708 6.157 1.00 1.51 H new ATOM 0 HA LEU A 52 34.885 -26.758 4.784 1.00 1.55 H new ATOM 0 HB2 LEU A 52 34.373 -28.420 6.795 1.00 1.88 H new ATOM 0 HB3 LEU A 52 34.817 -27.037 7.775 1.00 1.88 H new ATOM 0 HG LEU A 52 32.680 -26.932 5.628 1.00 2.21 H new ATOM 0 HD11 LEU A 52 31.050 -27.096 7.476 1.00 2.58 H new ATOM 0 HD12 LEU A 52 32.046 -28.565 7.343 1.00 2.58 H new ATOM 0 HD13 LEU A 52 32.385 -27.373 8.621 1.00 2.58 H new ATOM 0 HD21 LEU A 52 31.969 -24.899 6.819 1.00 2.90 H new ATOM 0 HD22 LEU A 52 33.336 -25.085 7.944 1.00 2.90 H new ATOM 0 HD23 LEU A 52 33.640 -24.765 6.220 1.00 2.90 H new ATOM 740 N GLU A 53 36.880 -25.580 7.156 1.00 1.38 N ATOM 741 CA GLU A 53 37.557 -24.372 7.617 1.00 1.39 C ATOM 742 C GLU A 53 38.263 -23.681 6.454 1.00 1.16 C ATOM 743 O GLU A 53 38.110 -22.477 6.251 1.00 1.13 O ATOM 744 CB GLU A 53 38.568 -24.700 8.722 1.00 1.66 C ATOM 745 CG GLU A 53 38.064 -25.705 9.750 1.00 2.20 C ATOM 746 CD GLU A 53 39.074 -26.795 10.059 1.00 2.62 C ATOM 747 OE1 GLU A 53 39.242 -27.703 9.218 1.00 3.08 O ATOM 748 OE2 GLU A 53 39.693 -26.743 11.141 1.00 3.17 O ATOM 0 H GLU A 53 37.093 -26.418 7.698 1.00 1.38 H new ATOM 0 HA GLU A 53 36.804 -23.698 8.026 1.00 1.39 H new ATOM 0 HB2 GLU A 53 39.477 -25.090 8.264 1.00 1.66 H new ATOM 0 HB3 GLU A 53 38.841 -23.778 9.235 1.00 1.66 H new ATOM 0 HG2 GLU A 53 37.812 -25.179 10.671 1.00 2.20 H new ATOM 0 HG3 GLU A 53 37.145 -26.162 9.383 1.00 2.20 H new ATOM 755 N ALA A 54 39.025 -24.455 5.684 1.00 1.13 N ATOM 756 CA ALA A 54 39.741 -23.915 4.531 1.00 1.16 C ATOM 757 C ALA A 54 38.780 -23.200 3.588 1.00 0.99 C ATOM 758 O ALA A 54 38.993 -22.042 3.223 1.00 1.03 O ATOM 759 CB ALA A 54 40.484 -25.024 3.801 1.00 1.35 C ATOM 0 H ALA A 54 39.162 -25.454 5.837 1.00 1.13 H new ATOM 0 HA ALA A 54 40.471 -23.188 4.888 1.00 1.16 H new ATOM 0 HB1 ALA A 54 41.012 -24.605 2.944 1.00 1.35 H new ATOM 0 HB2 ALA A 54 41.201 -25.488 4.478 1.00 1.35 H new ATOM 0 HB3 ALA A 54 39.772 -25.774 3.457 1.00 1.35 H new ATOM 765 N GLU A 55 37.714 -23.896 3.208 1.00 0.99 N ATOM 766 CA GLU A 55 36.706 -23.329 2.321 1.00 1.06 C ATOM 767 C GLU A 55 36.147 -22.038 2.917 1.00 0.88 C ATOM 768 O GLU A 55 36.075 -21.008 2.245 1.00 0.90 O ATOM 769 CB GLU A 55 35.577 -24.343 2.093 1.00 1.35 C ATOM 770 CG GLU A 55 35.374 -24.717 0.632 1.00 1.84 C ATOM 771 CD GLU A 55 34.128 -25.557 0.401 1.00 1.93 C ATOM 772 OE1 GLU A 55 33.765 -26.353 1.297 1.00 2.20 O ATOM 773 OE2 GLU A 55 33.517 -25.424 -0.679 1.00 2.60 O ATOM 0 H GLU A 55 37.526 -24.855 3.501 1.00 0.99 H new ATOM 0 HA GLU A 55 37.169 -23.098 1.362 1.00 1.06 H new ATOM 0 HB2 GLU A 55 35.792 -25.247 2.663 1.00 1.35 H new ATOM 0 HB3 GLU A 55 34.647 -23.932 2.486 1.00 1.35 H new ATOM 0 HG2 GLU A 55 35.308 -23.807 0.036 1.00 1.84 H new ATOM 0 HG3 GLU A 55 36.247 -25.267 0.279 1.00 1.84 H new ATOM 780 N LEU A 56 35.765 -22.110 4.188 1.00 0.90 N ATOM 781 CA LEU A 56 35.215 -20.971 4.914 1.00 0.98 C ATOM 782 C LEU A 56 36.106 -19.739 4.788 1.00 0.91 C ATOM 783 O LEU A 56 35.613 -18.618 4.660 1.00 0.99 O ATOM 784 CB LEU A 56 35.032 -21.346 6.389 1.00 1.26 C ATOM 785 CG LEU A 56 34.658 -20.196 7.329 1.00 2.02 C ATOM 786 CD1 LEU A 56 33.340 -19.569 6.905 1.00 2.67 C ATOM 787 CD2 LEU A 56 34.581 -20.686 8.768 1.00 2.55 C ATOM 0 H LEU A 56 35.828 -22.962 4.745 1.00 0.90 H new ATOM 0 HA LEU A 56 34.249 -20.721 4.476 1.00 0.98 H new ATOM 0 HB2 LEU A 56 34.259 -22.111 6.456 1.00 1.26 H new ATOM 0 HB3 LEU A 56 35.958 -21.796 6.747 1.00 1.26 H new ATOM 0 HG LEU A 56 35.435 -19.434 7.268 1.00 2.02 H new ATOM 0 HD11 LEU A 56 33.090 -18.754 7.584 1.00 2.67 H new ATOM 0 HD12 LEU A 56 33.431 -19.181 5.890 1.00 2.67 H new ATOM 0 HD13 LEU A 56 32.552 -20.322 6.936 1.00 2.67 H new ATOM 0 HD21 LEU A 56 34.314 -19.855 9.421 1.00 2.55 H new ATOM 0 HD22 LEU A 56 33.825 -21.467 8.846 1.00 2.55 H new ATOM 0 HD23 LEU A 56 35.549 -21.087 9.068 1.00 2.55 H new ATOM 799 N ALA A 57 37.415 -19.953 4.842 1.00 0.92 N ATOM 800 CA ALA A 57 38.374 -18.859 4.744 1.00 1.14 C ATOM 801 C ALA A 57 38.169 -18.048 3.466 1.00 1.08 C ATOM 802 O ALA A 57 38.118 -16.820 3.499 1.00 1.22 O ATOM 803 CB ALA A 57 39.791 -19.405 4.804 1.00 1.37 C ATOM 0 H ALA A 57 37.837 -20.875 4.953 1.00 0.92 H new ATOM 0 HA ALA A 57 38.211 -18.190 5.589 1.00 1.14 H new ATOM 0 HB1 ALA A 57 40.502 -18.582 4.730 1.00 1.37 H new ATOM 0 HB2 ALA A 57 39.939 -19.929 5.748 1.00 1.37 H new ATOM 0 HB3 ALA A 57 39.950 -20.097 3.977 1.00 1.37 H new ATOM 809 N ALA A 58 38.063 -18.745 2.340 1.00 1.03 N ATOM 810 CA ALA A 58 37.870 -18.094 1.047 1.00 1.19 C ATOM 811 C ALA A 58 36.433 -17.620 0.870 1.00 1.03 C ATOM 812 O ALA A 58 36.167 -16.698 0.098 1.00 1.17 O ATOM 813 CB ALA A 58 38.245 -19.049 -0.075 1.00 1.43 C ATOM 0 H ALA A 58 38.107 -19.763 2.295 1.00 1.03 H new ATOM 0 HA ALA A 58 38.518 -17.218 1.011 1.00 1.19 H new ATOM 0 HB1 ALA A 58 38.098 -18.556 -1.036 1.00 1.43 H new ATOM 0 HB2 ALA A 58 39.291 -19.339 0.028 1.00 1.43 H new ATOM 0 HB3 ALA A 58 37.615 -19.937 -0.023 1.00 1.43 H new ATOM 819 N HIS A 59 35.510 -18.262 1.578 1.00 0.87 N ATOM 820 CA HIS A 59 34.109 -17.922 1.488 1.00 0.90 C ATOM 821 C HIS A 59 33.803 -16.612 2.203 1.00 0.80 C ATOM 822 O HIS A 59 32.866 -15.918 1.841 1.00 0.89 O ATOM 823 CB HIS A 59 33.273 -19.064 2.053 1.00 1.13 C ATOM 824 CG HIS A 59 33.064 -20.162 1.061 1.00 1.46 C ATOM 825 ND1 HIS A 59 34.007 -20.537 0.130 1.00 2.16 N ATOM 826 CD2 HIS A 59 31.985 -20.950 0.838 1.00 1.68 C ATOM 827 CE1 HIS A 59 33.481 -21.513 -0.618 1.00 2.61 C ATOM 828 NE2 HIS A 59 32.256 -21.801 -0.230 1.00 2.36 N ATOM 0 H HIS A 59 35.717 -19.025 2.223 1.00 0.87 H new ATOM 0 HA HIS A 59 33.853 -17.777 0.439 1.00 0.90 H new ATOM 0 HB2 HIS A 59 33.764 -19.467 2.939 1.00 1.13 H new ATOM 0 HB3 HIS A 59 32.305 -18.678 2.373 1.00 1.13 H new ATOM 0 HD2 HIS A 59 31.062 -20.923 1.399 1.00 1.68 H new ATOM 0 HE1 HIS A 59 33.994 -22.001 -1.434 1.00 2.61 H new ATOM 0 HE2 HIS A 59 31.634 -22.503 -0.630 1.00 2.36 H new ATOM 836 N GLU A 60 34.587 -16.246 3.208 1.00 0.87 N ATOM 837 CA GLU A 60 34.322 -14.986 3.888 1.00 1.09 C ATOM 838 C GLU A 60 34.381 -13.856 2.861 1.00 1.11 C ATOM 839 O GLU A 60 33.380 -13.184 2.612 1.00 1.12 O ATOM 840 CB GLU A 60 35.309 -14.744 5.039 1.00 1.39 C ATOM 841 CG GLU A 60 34.643 -14.660 6.404 1.00 1.92 C ATOM 842 CD GLU A 60 33.974 -15.959 6.811 1.00 2.39 C ATOM 843 OE1 GLU A 60 34.698 -16.951 7.037 1.00 2.70 O ATOM 844 OE2 GLU A 60 32.728 -15.984 6.908 1.00 3.01 O ATOM 0 H GLU A 60 35.382 -16.780 3.560 1.00 0.87 H new ATOM 0 HA GLU A 60 33.329 -15.023 4.336 1.00 1.09 H new ATOM 0 HB2 GLU A 60 36.044 -15.549 5.051 1.00 1.39 H new ATOM 0 HB3 GLU A 60 35.853 -13.818 4.852 1.00 1.39 H new ATOM 0 HG2 GLU A 60 35.389 -14.391 7.152 1.00 1.92 H new ATOM 0 HG3 GLU A 60 33.901 -13.862 6.393 1.00 1.92 H new ATOM 851 N PRO A 61 35.553 -13.643 2.229 1.00 1.23 N ATOM 852 CA PRO A 61 35.715 -12.605 1.205 1.00 1.42 C ATOM 853 C PRO A 61 34.745 -12.785 0.036 1.00 1.32 C ATOM 854 O PRO A 61 34.085 -11.836 -0.391 1.00 1.44 O ATOM 855 CB PRO A 61 37.158 -12.803 0.719 1.00 1.60 C ATOM 856 CG PRO A 61 37.848 -13.501 1.835 1.00 1.59 C ATOM 857 CD PRO A 61 36.811 -14.386 2.461 1.00 1.29 C ATOM 0 HA PRO A 61 35.512 -11.611 1.604 1.00 1.42 H new ATOM 0 HB2 PRO A 61 37.189 -13.395 -0.196 1.00 1.60 H new ATOM 0 HB3 PRO A 61 37.634 -11.848 0.497 1.00 1.60 H new ATOM 0 HG2 PRO A 61 38.693 -14.085 1.469 1.00 1.59 H new ATOM 0 HG3 PRO A 61 38.243 -12.788 2.559 1.00 1.59 H new ATOM 0 HD2 PRO A 61 36.789 -15.372 1.997 1.00 1.29 H new ATOM 0 HD3 PRO A 61 36.999 -14.538 3.524 1.00 1.29 H new ATOM 865 N ALA A 62 34.677 -14.010 -0.486 1.00 1.18 N ATOM 866 CA ALA A 62 33.807 -14.325 -1.624 1.00 1.22 C ATOM 867 C ALA A 62 32.334 -14.076 -1.313 1.00 1.00 C ATOM 868 O ALA A 62 31.659 -13.331 -2.024 1.00 1.06 O ATOM 869 CB ALA A 62 34.010 -15.771 -2.064 1.00 1.31 C ATOM 0 H ALA A 62 35.215 -14.804 -0.139 1.00 1.18 H new ATOM 0 HA ALA A 62 34.088 -13.655 -2.436 1.00 1.22 H new ATOM 0 HB1 ALA A 62 33.357 -15.989 -2.909 1.00 1.31 H new ATOM 0 HB2 ALA A 62 35.049 -15.919 -2.360 1.00 1.31 H new ATOM 0 HB3 ALA A 62 33.769 -16.440 -1.238 1.00 1.31 H new ATOM 875 N ILE A 63 31.839 -14.715 -0.259 1.00 0.82 N ATOM 876 CA ILE A 63 30.439 -14.571 0.141 1.00 0.73 C ATOM 877 C ILE A 63 30.093 -13.097 0.348 1.00 0.73 C ATOM 878 O ILE A 63 29.107 -12.599 -0.200 1.00 0.73 O ATOM 879 CB ILE A 63 30.127 -15.367 1.436 1.00 0.79 C ATOM 880 CG1 ILE A 63 30.618 -16.827 1.322 1.00 1.08 C ATOM 881 CG2 ILE A 63 28.637 -15.316 1.756 1.00 0.96 C ATOM 882 CD1 ILE A 63 29.556 -17.838 0.959 1.00 0.67 C ATOM 0 H ILE A 63 32.384 -15.339 0.336 1.00 0.82 H new ATOM 0 HA ILE A 63 29.827 -14.979 -0.664 1.00 0.73 H new ATOM 0 HB ILE A 63 30.667 -14.897 2.258 1.00 0.79 H new ATOM 0 HG12 ILE A 63 31.408 -16.870 0.573 1.00 1.08 H new ATOM 0 HG13 ILE A 63 31.064 -17.118 2.273 1.00 1.08 H new ATOM 0 HG21 ILE A 63 28.441 -15.881 2.668 1.00 0.96 H new ATOM 0 HG22 ILE A 63 28.331 -14.280 1.898 1.00 0.96 H new ATOM 0 HG23 ILE A 63 28.073 -15.751 0.931 1.00 0.96 H new ATOM 0 HD11 ILE A 63 30.002 -18.831 0.904 1.00 0.67 H new ATOM 0 HD12 ILE A 63 28.774 -17.833 1.718 1.00 0.67 H new ATOM 0 HD13 ILE A 63 29.124 -17.581 -0.008 1.00 0.67 H new ATOM 894 N GLN A 64 30.922 -12.396 1.124 1.00 0.83 N ATOM 895 CA GLN A 64 30.713 -10.975 1.385 1.00 0.95 C ATOM 896 C GLN A 64 30.559 -10.212 0.072 1.00 0.95 C ATOM 897 O GLN A 64 29.613 -9.443 -0.103 1.00 0.92 O ATOM 898 CB GLN A 64 31.884 -10.407 2.196 1.00 1.17 C ATOM 899 CG GLN A 64 31.711 -8.945 2.589 1.00 1.62 C ATOM 900 CD GLN A 64 32.632 -8.015 1.821 1.00 2.58 C ATOM 901 OE1 GLN A 64 32.787 -8.139 0.606 1.00 3.24 O ATOM 902 NE2 GLN A 64 33.250 -7.076 2.528 1.00 3.27 N ATOM 0 H GLN A 64 31.744 -12.791 1.581 1.00 0.83 H new ATOM 0 HA GLN A 64 29.797 -10.858 1.965 1.00 0.95 H new ATOM 0 HB2 GLN A 64 32.011 -11.003 3.100 1.00 1.17 H new ATOM 0 HB3 GLN A 64 32.800 -10.511 1.615 1.00 1.17 H new ATOM 0 HG2 GLN A 64 30.677 -8.648 2.417 1.00 1.62 H new ATOM 0 HG3 GLN A 64 31.901 -8.836 3.657 1.00 1.62 H new ATOM 0 HE21 GLN A 64 33.093 -7.009 3.534 1.00 3.27 H new ATOM 0 HE22 GLN A 64 33.882 -6.422 2.065 1.00 3.27 H new ATOM 911 N GLY A 65 31.491 -10.439 -0.854 1.00 1.05 N ATOM 912 CA GLY A 65 31.435 -9.777 -2.144 1.00 1.14 C ATOM 913 C GLY A 65 30.045 -9.821 -2.744 1.00 0.94 C ATOM 914 O GLY A 65 29.532 -8.807 -3.214 1.00 0.94 O ATOM 0 H GLY A 65 32.283 -11.070 -0.731 1.00 1.05 H new ATOM 0 HA2 GLY A 65 31.749 -8.739 -2.033 1.00 1.14 H new ATOM 0 HA3 GLY A 65 32.140 -10.252 -2.826 1.00 1.14 H new ATOM 918 N VAL A 66 29.423 -10.999 -2.712 1.00 0.83 N ATOM 919 CA VAL A 66 28.073 -11.159 -3.248 1.00 0.72 C ATOM 920 C VAL A 66 27.117 -10.195 -2.557 1.00 0.59 C ATOM 921 O VAL A 66 26.487 -9.356 -3.201 1.00 0.56 O ATOM 922 CB VAL A 66 27.554 -12.604 -3.076 1.00 0.77 C ATOM 923 CG1 VAL A 66 26.317 -12.848 -3.931 1.00 1.22 C ATOM 924 CG2 VAL A 66 28.645 -13.610 -3.409 1.00 1.46 C ATOM 0 H VAL A 66 29.829 -11.850 -2.324 1.00 0.83 H new ATOM 0 HA VAL A 66 28.118 -10.938 -4.314 1.00 0.72 H new ATOM 0 HB VAL A 66 27.271 -12.737 -2.032 1.00 0.77 H new ATOM 0 HG11 VAL A 66 25.974 -13.873 -3.790 1.00 1.22 H new ATOM 0 HG12 VAL A 66 25.528 -12.157 -3.635 1.00 1.22 H new ATOM 0 HG13 VAL A 66 26.563 -12.689 -4.981 1.00 1.22 H new ATOM 0 HG21 VAL A 66 28.259 -14.621 -3.281 1.00 1.46 H new ATOM 0 HG22 VAL A 66 28.965 -13.471 -4.442 1.00 1.46 H new ATOM 0 HG23 VAL A 66 29.494 -13.459 -2.743 1.00 1.46 H new ATOM 934 N LEU A 67 27.036 -10.304 -1.233 1.00 0.58 N ATOM 935 CA LEU A 67 26.176 -9.426 -0.444 1.00 0.62 C ATOM 936 C LEU A 67 26.402 -7.971 -0.844 1.00 0.69 C ATOM 937 O LEU A 67 25.456 -7.247 -1.152 1.00 0.71 O ATOM 938 CB LEU A 67 26.451 -9.613 1.053 1.00 0.74 C ATOM 939 CG LEU A 67 25.561 -8.788 1.992 1.00 1.29 C ATOM 940 CD1 LEU A 67 25.498 -9.435 3.370 1.00 2.13 C ATOM 941 CD2 LEU A 67 26.067 -7.353 2.096 1.00 1.90 C ATOM 0 H LEU A 67 27.554 -10.990 -0.685 1.00 0.58 H new ATOM 0 HA LEU A 67 25.136 -9.687 -0.641 1.00 0.62 H new ATOM 0 HB2 LEU A 67 26.330 -10.668 1.299 1.00 0.74 H new ATOM 0 HB3 LEU A 67 27.492 -9.357 1.249 1.00 0.74 H new ATOM 0 HG LEU A 67 24.554 -8.763 1.575 1.00 1.29 H new ATOM 0 HD11 LEU A 67 24.863 -8.837 4.024 1.00 2.13 H new ATOM 0 HD12 LEU A 67 25.085 -10.440 3.282 1.00 2.13 H new ATOM 0 HD13 LEU A 67 26.502 -9.491 3.792 1.00 2.13 H new ATOM 0 HD21 LEU A 67 25.421 -6.787 2.767 1.00 1.90 H new ATOM 0 HD22 LEU A 67 27.084 -7.353 2.487 1.00 1.90 H new ATOM 0 HD23 LEU A 67 26.058 -6.892 1.109 1.00 1.90 H new ATOM 953 N ASP A 68 27.666 -7.557 -0.849 1.00 0.79 N ATOM 954 CA ASP A 68 28.027 -6.192 -1.225 1.00 0.94 C ATOM 955 C ASP A 68 27.416 -5.826 -2.578 1.00 0.86 C ATOM 956 O ASP A 68 26.734 -4.809 -2.705 1.00 0.91 O ATOM 957 CB ASP A 68 29.553 -6.042 -1.273 1.00 1.12 C ATOM 958 CG ASP A 68 30.009 -5.016 -2.294 1.00 1.55 C ATOM 959 OD1 ASP A 68 30.084 -3.821 -1.941 1.00 2.24 O ATOM 960 OD2 ASP A 68 30.279 -5.407 -3.449 1.00 2.04 O ATOM 0 H ASP A 68 28.459 -8.147 -0.597 1.00 0.79 H new ATOM 0 HA ASP A 68 27.630 -5.510 -0.473 1.00 0.94 H new ATOM 0 HB2 ASP A 68 29.917 -5.754 -0.287 1.00 1.12 H new ATOM 0 HB3 ASP A 68 30.002 -7.007 -1.509 1.00 1.12 H new ATOM 965 N THR A 69 27.663 -6.661 -3.586 1.00 0.80 N ATOM 966 CA THR A 69 27.132 -6.421 -4.924 1.00 0.80 C ATOM 967 C THR A 69 25.611 -6.300 -4.880 1.00 0.67 C ATOM 968 O THR A 69 25.035 -5.377 -5.453 1.00 0.73 O ATOM 969 CB THR A 69 27.549 -7.545 -5.875 1.00 0.86 C ATOM 970 OG1 THR A 69 28.941 -7.785 -5.781 1.00 1.02 O ATOM 971 CG2 THR A 69 27.234 -7.253 -7.328 1.00 0.94 C ATOM 0 H THR A 69 28.226 -7.507 -3.501 1.00 0.80 H new ATOM 0 HA THR A 69 27.544 -5.483 -5.295 1.00 0.80 H new ATOM 0 HB THR A 69 26.971 -8.415 -5.564 1.00 0.86 H new ATOM 0 HG1 THR A 69 29.132 -8.283 -4.959 1.00 1.02 H new ATOM 0 HG21 THR A 69 27.556 -8.091 -7.946 1.00 0.94 H new ATOM 0 HG22 THR A 69 26.160 -7.107 -7.445 1.00 0.94 H new ATOM 0 HG23 THR A 69 27.759 -6.350 -7.640 1.00 0.94 H new ATOM 979 N GLY A 70 24.963 -7.236 -4.189 1.00 0.57 N ATOM 980 CA GLY A 70 23.516 -7.198 -4.075 1.00 0.59 C ATOM 981 C GLY A 70 23.033 -5.874 -3.514 1.00 0.69 C ATOM 982 O GLY A 70 22.056 -5.301 -3.999 1.00 0.79 O ATOM 0 H GLY A 70 25.412 -8.016 -3.709 1.00 0.57 H new ATOM 0 HA2 GLY A 70 23.069 -7.363 -5.055 1.00 0.59 H new ATOM 0 HA3 GLY A 70 23.180 -8.011 -3.431 1.00 0.59 H new ATOM 986 N LYS A 71 23.728 -5.383 -2.491 1.00 0.76 N ATOM 987 CA LYS A 71 23.378 -4.114 -1.866 1.00 0.94 C ATOM 988 C LYS A 71 23.413 -2.985 -2.892 1.00 0.99 C ATOM 989 O LYS A 71 22.557 -2.102 -2.887 1.00 1.12 O ATOM 990 CB LYS A 71 24.338 -3.809 -0.712 1.00 1.05 C ATOM 991 CG LYS A 71 24.000 -2.535 0.052 1.00 1.35 C ATOM 992 CD LYS A 71 25.236 -1.676 0.279 1.00 1.91 C ATOM 993 CE LYS A 71 24.946 -0.512 1.214 1.00 2.53 C ATOM 994 NZ LYS A 71 24.167 0.563 0.540 1.00 3.25 N ATOM 0 H LYS A 71 24.537 -5.847 -2.078 1.00 0.76 H new ATOM 0 HA LYS A 71 22.365 -4.192 -1.470 1.00 0.94 H new ATOM 0 HB2 LYS A 71 24.334 -4.649 -0.018 1.00 1.05 H new ATOM 0 HB3 LYS A 71 25.351 -3.726 -1.107 1.00 1.05 H new ATOM 0 HG2 LYS A 71 23.255 -1.964 -0.502 1.00 1.35 H new ATOM 0 HG3 LYS A 71 23.554 -2.793 1.012 1.00 1.35 H new ATOM 0 HD2 LYS A 71 26.034 -2.289 0.698 1.00 1.91 H new ATOM 0 HD3 LYS A 71 25.595 -1.295 -0.677 1.00 1.91 H new ATOM 0 HE2 LYS A 71 24.392 -0.872 2.081 1.00 2.53 H new ATOM 0 HE3 LYS A 71 25.885 -0.101 1.584 1.00 2.53 H new ATOM 0 HZ1 LYS A 71 23.889 1.281 1.239 1.00 3.25 H new ATOM 0 HZ2 LYS A 71 24.752 1.006 -0.197 1.00 3.25 H new ATOM 0 HZ3 LYS A 71 23.315 0.154 0.106 1.00 3.25 H new ATOM 1008 N LYS A 72 24.410 -3.026 -3.776 1.00 0.95 N ATOM 1009 CA LYS A 72 24.557 -2.007 -4.815 1.00 1.08 C ATOM 1010 C LYS A 72 23.236 -1.789 -5.547 1.00 1.06 C ATOM 1011 O LYS A 72 22.739 -0.666 -5.621 1.00 1.26 O ATOM 1012 CB LYS A 72 25.657 -2.403 -5.808 1.00 1.14 C ATOM 1013 CG LYS A 72 26.852 -1.458 -5.810 1.00 1.49 C ATOM 1014 CD LYS A 72 28.108 -2.139 -6.342 1.00 2.07 C ATOM 1015 CE LYS A 72 29.081 -2.484 -5.224 1.00 2.89 C ATOM 1016 NZ LYS A 72 28.442 -3.300 -4.155 1.00 3.71 N ATOM 0 H LYS A 72 25.126 -3.752 -3.793 1.00 0.95 H new ATOM 0 HA LYS A 72 24.844 -1.071 -4.335 1.00 1.08 H new ATOM 0 HB2 LYS A 72 26.002 -3.410 -5.572 1.00 1.14 H new ATOM 0 HB3 LYS A 72 25.232 -2.439 -6.811 1.00 1.14 H new ATOM 0 HG2 LYS A 72 26.625 -0.585 -6.422 1.00 1.49 H new ATOM 0 HG3 LYS A 72 27.034 -1.099 -4.797 1.00 1.49 H new ATOM 0 HD2 LYS A 72 27.830 -3.048 -6.875 1.00 2.07 H new ATOM 0 HD3 LYS A 72 28.599 -1.484 -7.062 1.00 2.07 H new ATOM 0 HE2 LYS A 72 29.929 -3.030 -5.638 1.00 2.89 H new ATOM 0 HE3 LYS A 72 29.475 -1.565 -4.791 1.00 2.89 H new ATOM 0 HZ1 LYS A 72 28.753 -2.957 -3.224 1.00 3.71 H new ATOM 0 HZ2 LYS A 72 27.408 -3.217 -4.226 1.00 3.71 H new ATOM 0 HZ3 LYS A 72 28.718 -4.296 -4.267 1.00 3.71 H new ATOM 1030 N LEU A 73 22.665 -2.868 -6.075 1.00 0.89 N ATOM 1031 CA LEU A 73 21.394 -2.784 -6.790 1.00 0.98 C ATOM 1032 C LEU A 73 20.335 -2.114 -5.922 1.00 1.14 C ATOM 1033 O LEU A 73 19.630 -1.211 -6.370 1.00 1.32 O ATOM 1034 CB LEU A 73 20.913 -4.176 -7.202 1.00 0.97 C ATOM 1035 CG LEU A 73 21.816 -4.910 -8.197 1.00 0.92 C ATOM 1036 CD1 LEU A 73 22.566 -6.035 -7.503 1.00 0.96 C ATOM 1037 CD2 LEU A 73 21.000 -5.452 -9.361 1.00 1.52 C ATOM 0 H LEU A 73 23.060 -3.807 -6.022 1.00 0.89 H new ATOM 0 HA LEU A 73 21.552 -2.184 -7.686 1.00 0.98 H new ATOM 0 HB2 LEU A 73 20.814 -4.789 -6.306 1.00 0.97 H new ATOM 0 HB3 LEU A 73 19.918 -4.085 -7.638 1.00 0.97 H new ATOM 0 HG LEU A 73 22.544 -4.200 -8.590 1.00 0.92 H new ATOM 0 HD11 LEU A 73 23.203 -6.547 -8.224 1.00 0.96 H new ATOM 0 HD12 LEU A 73 23.181 -5.623 -6.703 1.00 0.96 H new ATOM 0 HD13 LEU A 73 21.852 -6.743 -7.083 1.00 0.96 H new ATOM 0 HD21 LEU A 73 21.659 -5.970 -10.057 1.00 1.52 H new ATOM 0 HD22 LEU A 73 20.249 -6.148 -8.986 1.00 1.52 H new ATOM 0 HD23 LEU A 73 20.506 -4.627 -9.875 1.00 1.52 H new ATOM 1049 N SER A 74 20.225 -2.571 -4.678 1.00 1.13 N ATOM 1050 CA SER A 74 19.250 -2.022 -3.743 1.00 1.36 C ATOM 1051 C SER A 74 19.372 -0.501 -3.664 1.00 1.52 C ATOM 1052 O SER A 74 18.366 0.212 -3.686 1.00 1.76 O ATOM 1053 CB SER A 74 19.433 -2.648 -2.355 1.00 1.37 C ATOM 1054 OG SER A 74 20.144 -1.785 -1.483 1.00 1.67 O ATOM 0 H SER A 74 20.800 -3.321 -4.294 1.00 1.13 H new ATOM 0 HA SER A 74 18.251 -2.265 -4.106 1.00 1.36 H new ATOM 0 HB2 SER A 74 18.457 -2.876 -1.926 1.00 1.37 H new ATOM 0 HB3 SER A 74 19.968 -3.593 -2.449 1.00 1.37 H new ATOM 0 HG SER A 74 21.085 -1.747 -1.755 1.00 1.67 H new ATOM 1060 N ASP A 75 20.609 -0.018 -3.567 1.00 1.47 N ATOM 1061 CA ASP A 75 20.872 1.416 -3.483 1.00 1.71 C ATOM 1062 C ASP A 75 20.390 2.131 -4.742 1.00 1.86 C ATOM 1063 O ASP A 75 19.832 3.227 -4.667 1.00 2.14 O ATOM 1064 CB ASP A 75 22.368 1.678 -3.269 1.00 1.72 C ATOM 1065 CG ASP A 75 22.996 0.718 -2.273 1.00 1.79 C ATOM 1066 OD1 ASP A 75 22.280 0.247 -1.363 1.00 2.34 O ATOM 1067 OD2 ASP A 75 24.206 0.436 -2.400 1.00 2.15 O ATOM 0 H ASP A 75 21.446 -0.600 -3.545 1.00 1.47 H new ATOM 0 HA ASP A 75 20.321 1.810 -2.629 1.00 1.71 H new ATOM 0 HB2 ASP A 75 22.887 1.595 -4.224 1.00 1.72 H new ATOM 0 HB3 ASP A 75 22.507 2.701 -2.918 1.00 1.72 H new ATOM 1072 N ASP A 76 20.607 1.504 -5.896 1.00 1.77 N ATOM 1073 CA ASP A 76 20.185 2.084 -7.170 1.00 2.01 C ATOM 1074 C ASP A 76 18.666 2.242 -7.183 1.00 1.98 C ATOM 1075 O ASP A 76 18.138 3.300 -7.532 1.00 2.28 O ATOM 1076 CB ASP A 76 20.664 1.209 -8.342 1.00 2.20 C ATOM 1077 CG ASP A 76 22.174 1.061 -8.403 1.00 2.36 C ATOM 1078 OD1 ASP A 76 22.719 0.226 -7.650 1.00 2.64 O ATOM 1079 OD2 ASP A 76 22.812 1.778 -9.203 1.00 2.89 O ATOM 0 H ASP A 76 21.070 0.599 -5.976 1.00 1.77 H new ATOM 0 HA ASP A 76 20.636 3.069 -7.286 1.00 2.01 H new ATOM 0 HB2 ASP A 76 20.212 0.221 -8.257 1.00 2.20 H new ATOM 0 HB3 ASP A 76 20.310 1.642 -9.278 1.00 2.20 H new ATOM 1084 N ASN A 77 17.980 1.182 -6.773 1.00 1.87 N ATOM 1085 CA ASN A 77 16.525 1.170 -6.696 1.00 2.13 C ATOM 1086 C ASN A 77 16.064 -0.053 -5.911 1.00 1.92 C ATOM 1087 O ASN A 77 16.596 -1.149 -6.082 1.00 2.30 O ATOM 1088 CB ASN A 77 15.883 1.204 -8.092 1.00 3.00 C ATOM 1089 CG ASN A 77 16.068 -0.078 -8.884 1.00 3.68 C ATOM 1090 OD1 ASN A 77 15.666 -1.157 -8.452 1.00 3.93 O ATOM 1091 ND2 ASN A 77 16.672 0.037 -10.060 1.00 4.42 N ATOM 0 H ASN A 77 18.417 0.307 -6.485 1.00 1.87 H new ATOM 0 HA ASN A 77 16.200 2.071 -6.175 1.00 2.13 H new ATOM 0 HB2 ASN A 77 14.817 1.404 -7.986 1.00 3.00 H new ATOM 0 HB3 ASN A 77 16.308 2.033 -8.657 1.00 3.00 H new ATOM 0 HD21 ASN A 77 16.817 -0.788 -10.642 1.00 4.42 H new ATOM 0 HD22 ASN A 77 16.991 0.951 -10.382 1.00 4.42 H new ATOM 1098 N THR A 78 15.092 0.145 -5.031 1.00 2.42 N ATOM 1099 CA THR A 78 14.577 -0.940 -4.202 1.00 3.13 C ATOM 1100 C THR A 78 13.430 -1.665 -4.897 1.00 3.07 C ATOM 1101 O THR A 78 13.331 -2.892 -4.833 1.00 3.33 O ATOM 1102 CB THR A 78 14.120 -0.390 -2.852 1.00 4.02 C ATOM 1103 OG1 THR A 78 15.050 0.565 -2.367 1.00 4.29 O ATOM 1104 CG2 THR A 78 13.963 -1.457 -1.789 1.00 4.87 C ATOM 0 H THR A 78 14.643 1.047 -4.872 1.00 2.42 H new ATOM 0 HA THR A 78 15.379 -1.661 -4.041 1.00 3.13 H new ATOM 0 HB THR A 78 13.144 0.059 -3.036 1.00 4.02 H new ATOM 0 HG1 THR A 78 14.744 0.910 -1.502 1.00 4.29 H new ATOM 0 HG21 THR A 78 13.636 -0.996 -0.857 1.00 4.87 H new ATOM 0 HG22 THR A 78 13.221 -2.187 -2.113 1.00 4.87 H new ATOM 0 HG23 THR A 78 14.919 -1.957 -1.631 1.00 4.87 H new ATOM 1112 N ILE A 79 12.573 -0.897 -5.566 1.00 3.06 N ATOM 1113 CA ILE A 79 11.430 -1.456 -6.282 1.00 3.21 C ATOM 1114 C ILE A 79 11.883 -2.493 -7.310 1.00 2.90 C ATOM 1115 O ILE A 79 12.319 -2.145 -8.409 1.00 3.08 O ATOM 1116 CB ILE A 79 10.610 -0.356 -6.996 1.00 3.81 C ATOM 1117 CG1 ILE A 79 10.609 0.944 -6.180 1.00 4.11 C ATOM 1118 CG2 ILE A 79 9.185 -0.832 -7.244 1.00 4.49 C ATOM 1119 CD1 ILE A 79 10.129 0.776 -4.753 1.00 4.56 C ATOM 0 H ILE A 79 12.650 0.118 -5.627 1.00 3.06 H new ATOM 0 HA ILE A 79 10.795 -1.937 -5.538 1.00 3.21 H new ATOM 0 HB ILE A 79 11.081 -0.151 -7.958 1.00 3.81 H new ATOM 0 HG12 ILE A 79 11.619 1.353 -6.167 1.00 4.11 H new ATOM 0 HG13 ILE A 79 9.975 1.675 -6.682 1.00 4.11 H new ATOM 0 HG21 ILE A 79 8.621 -0.046 -7.747 1.00 4.49 H new ATOM 0 HG22 ILE A 79 9.203 -1.724 -7.871 1.00 4.49 H new ATOM 0 HG23 ILE A 79 8.709 -1.067 -6.292 1.00 4.49 H new ATOM 0 HD11 ILE A 79 10.158 1.739 -4.244 1.00 4.56 H new ATOM 0 HD12 ILE A 79 9.107 0.397 -4.755 1.00 4.56 H new ATOM 0 HD13 ILE A 79 10.776 0.070 -4.232 1.00 4.56 H new ATOM 1131 N GLY A 80 11.780 -3.767 -6.937 1.00 2.87 N ATOM 1132 CA GLY A 80 12.183 -4.847 -7.823 1.00 2.77 C ATOM 1133 C GLY A 80 13.285 -5.699 -7.226 1.00 2.49 C ATOM 1134 O GLY A 80 13.305 -6.917 -7.406 1.00 2.38 O ATOM 0 H GLY A 80 11.422 -4.072 -6.032 1.00 2.87 H new ATOM 0 HA2 GLY A 80 11.320 -5.475 -8.043 1.00 2.77 H new ATOM 0 HA3 GLY A 80 12.523 -4.429 -8.771 1.00 2.77 H new ATOM 1138 N LYS A 81 14.199 -5.055 -6.504 1.00 2.47 N ATOM 1139 CA LYS A 81 15.317 -5.751 -5.871 1.00 2.30 C ATOM 1140 C LYS A 81 14.864 -6.524 -4.636 1.00 2.13 C ATOM 1141 O LYS A 81 15.497 -7.504 -4.249 1.00 1.92 O ATOM 1142 CB LYS A 81 16.416 -4.759 -5.485 1.00 2.45 C ATOM 1143 CG LYS A 81 17.518 -4.632 -6.526 1.00 2.98 C ATOM 1144 CD LYS A 81 17.228 -3.512 -7.513 1.00 3.54 C ATOM 1145 CE LYS A 81 17.410 -3.960 -8.953 1.00 4.27 C ATOM 1146 NZ LYS A 81 17.403 -2.807 -9.893 1.00 4.40 N ATOM 0 H LYS A 81 14.187 -4.048 -6.342 1.00 2.47 H new ATOM 0 HA LYS A 81 15.713 -6.463 -6.595 1.00 2.30 H new ATOM 0 HB2 LYS A 81 15.968 -3.779 -5.322 1.00 2.45 H new ATOM 0 HB3 LYS A 81 16.857 -5.069 -4.538 1.00 2.45 H new ATOM 0 HG2 LYS A 81 18.469 -4.442 -6.029 1.00 2.98 H new ATOM 0 HG3 LYS A 81 17.622 -5.574 -7.064 1.00 2.98 H new ATOM 0 HD2 LYS A 81 16.207 -3.158 -7.370 1.00 3.54 H new ATOM 0 HD3 LYS A 81 17.889 -2.669 -7.309 1.00 3.54 H new ATOM 0 HE2 LYS A 81 18.351 -4.502 -9.049 1.00 4.27 H new ATOM 0 HE3 LYS A 81 16.613 -4.654 -9.222 1.00 4.27 H new ATOM 0 HZ1 LYS A 81 17.631 -3.139 -10.852 1.00 4.40 H new ATOM 0 HZ2 LYS A 81 16.461 -2.366 -9.894 1.00 4.40 H new ATOM 0 HZ3 LYS A 81 18.112 -2.109 -9.591 1.00 4.40 H new ATOM 1160 N GLU A 82 13.775 -6.074 -4.014 1.00 2.24 N ATOM 1161 CA GLU A 82 13.250 -6.731 -2.817 1.00 2.14 C ATOM 1162 C GLU A 82 13.323 -8.252 -2.942 1.00 1.94 C ATOM 1163 O GLU A 82 13.785 -8.932 -2.029 1.00 1.76 O ATOM 1164 CB GLU A 82 11.806 -6.296 -2.559 1.00 2.37 C ATOM 1165 CG GLU A 82 11.675 -4.844 -2.121 1.00 2.74 C ATOM 1166 CD GLU A 82 12.606 -4.492 -0.977 1.00 2.68 C ATOM 1167 OE1 GLU A 82 12.566 -5.190 0.058 1.00 3.00 O ATOM 1168 OE2 GLU A 82 13.377 -3.517 -1.114 1.00 2.89 O ATOM 0 H GLU A 82 13.240 -5.260 -4.317 1.00 2.24 H new ATOM 0 HA GLU A 82 13.870 -6.429 -1.973 1.00 2.14 H new ATOM 0 HB2 GLU A 82 11.222 -6.447 -3.467 1.00 2.37 H new ATOM 0 HB3 GLU A 82 11.374 -6.938 -1.792 1.00 2.37 H new ATOM 0 HG2 GLU A 82 11.886 -4.192 -2.969 1.00 2.74 H new ATOM 0 HG3 GLU A 82 10.646 -4.651 -1.819 1.00 2.74 H new ATOM 1175 N GLU A 83 12.879 -8.777 -4.082 1.00 2.03 N ATOM 1176 CA GLU A 83 12.907 -10.219 -4.326 1.00 1.94 C ATOM 1177 C GLU A 83 14.296 -10.786 -4.045 1.00 1.73 C ATOM 1178 O GLU A 83 14.465 -11.657 -3.189 1.00 1.57 O ATOM 1179 CB GLU A 83 12.495 -10.524 -5.771 1.00 2.17 C ATOM 1180 CG GLU A 83 12.814 -11.946 -6.220 1.00 2.39 C ATOM 1181 CD GLU A 83 14.175 -12.064 -6.888 1.00 2.51 C ATOM 1182 OE1 GLU A 83 14.399 -11.377 -7.907 1.00 2.93 O ATOM 1183 OE2 GLU A 83 15.015 -12.844 -6.393 1.00 2.94 O ATOM 0 H GLU A 83 12.496 -8.227 -4.851 1.00 2.03 H new ATOM 0 HA GLU A 83 12.196 -10.694 -3.650 1.00 1.94 H new ATOM 0 HB2 GLU A 83 11.424 -10.352 -5.876 1.00 2.17 H new ATOM 0 HB3 GLU A 83 12.997 -9.822 -6.437 1.00 2.17 H new ATOM 0 HG2 GLU A 83 12.780 -12.611 -5.357 1.00 2.39 H new ATOM 0 HG3 GLU A 83 12.044 -12.284 -6.913 1.00 2.39 H new ATOM 1190 N ILE A 84 15.291 -10.287 -4.772 1.00 1.75 N ATOM 1191 CA ILE A 84 16.663 -10.741 -4.594 1.00 1.60 C ATOM 1192 C ILE A 84 17.087 -10.580 -3.141 1.00 1.38 C ATOM 1193 O ILE A 84 17.683 -11.479 -2.557 1.00 1.22 O ATOM 1194 CB ILE A 84 17.639 -9.968 -5.504 1.00 1.73 C ATOM 1195 CG1 ILE A 84 17.204 -10.089 -6.970 1.00 2.03 C ATOM 1196 CG2 ILE A 84 19.064 -10.479 -5.319 1.00 1.57 C ATOM 1197 CD1 ILE A 84 18.109 -9.360 -7.940 1.00 2.47 C ATOM 0 H ILE A 84 15.172 -9.570 -5.488 1.00 1.75 H new ATOM 0 HA ILE A 84 16.698 -11.794 -4.872 1.00 1.60 H new ATOM 0 HB ILE A 84 17.618 -8.915 -5.223 1.00 1.73 H new ATOM 0 HG12 ILE A 84 17.170 -11.144 -7.243 1.00 2.03 H new ATOM 0 HG13 ILE A 84 16.191 -9.700 -7.071 1.00 2.03 H new ATOM 0 HG21 ILE A 84 19.738 -9.921 -5.969 1.00 1.57 H new ATOM 0 HG22 ILE A 84 19.367 -10.344 -4.281 1.00 1.57 H new ATOM 0 HG23 ILE A 84 19.107 -11.538 -5.574 1.00 1.57 H new ATOM 0 HD11 ILE A 84 17.736 -9.493 -8.956 1.00 2.47 H new ATOM 0 HD12 ILE A 84 18.125 -8.298 -7.695 1.00 2.47 H new ATOM 0 HD13 ILE A 84 19.119 -9.764 -7.869 1.00 2.47 H new ATOM 1209 N GLN A 85 16.763 -9.429 -2.563 1.00 1.45 N ATOM 1210 CA GLN A 85 17.101 -9.149 -1.173 1.00 1.35 C ATOM 1211 C GLN A 85 16.568 -10.249 -0.259 1.00 1.19 C ATOM 1212 O GLN A 85 17.261 -10.697 0.652 1.00 1.05 O ATOM 1213 CB GLN A 85 16.540 -7.790 -0.749 1.00 1.56 C ATOM 1214 CG GLN A 85 17.612 -6.781 -0.367 1.00 1.77 C ATOM 1215 CD GLN A 85 18.515 -6.414 -1.531 1.00 2.36 C ATOM 1216 OE1 GLN A 85 18.224 -5.489 -2.288 1.00 2.80 O ATOM 1217 NE2 GLN A 85 19.616 -7.141 -1.681 1.00 3.13 N ATOM 0 H GLN A 85 16.266 -8.674 -3.036 1.00 1.45 H new ATOM 0 HA GLN A 85 18.187 -9.121 -1.084 1.00 1.35 H new ATOM 0 HB2 GLN A 85 15.943 -7.382 -1.565 1.00 1.56 H new ATOM 0 HB3 GLN A 85 15.868 -7.932 0.098 1.00 1.56 H new ATOM 0 HG2 GLN A 85 17.135 -5.879 0.016 1.00 1.77 H new ATOM 0 HG3 GLN A 85 18.217 -7.190 0.442 1.00 1.77 H new ATOM 0 HE21 GLN A 85 19.819 -7.899 -1.030 1.00 3.13 H new ATOM 0 HE22 GLN A 85 20.259 -6.941 -2.447 1.00 3.13 H new ATOM 1226 N GLN A 86 15.338 -10.687 -0.515 1.00 1.26 N ATOM 1227 CA GLN A 86 14.725 -11.744 0.282 1.00 1.18 C ATOM 1228 C GLN A 86 15.556 -13.019 0.194 1.00 1.03 C ATOM 1229 O GLN A 86 15.892 -13.625 1.211 1.00 0.90 O ATOM 1230 CB GLN A 86 13.292 -12.011 -0.189 1.00 1.37 C ATOM 1231 CG GLN A 86 12.373 -12.522 0.911 1.00 1.47 C ATOM 1232 CD GLN A 86 12.744 -13.914 1.387 1.00 2.31 C ATOM 1233 OE1 GLN A 86 12.776 -14.184 2.587 1.00 2.90 O ATOM 1234 NE2 GLN A 86 13.028 -14.807 0.446 1.00 3.09 N ATOM 0 H GLN A 86 14.748 -10.327 -1.266 1.00 1.26 H new ATOM 0 HA GLN A 86 14.691 -11.418 1.321 1.00 1.18 H new ATOM 0 HB2 GLN A 86 12.876 -11.091 -0.600 1.00 1.37 H new ATOM 0 HB3 GLN A 86 13.315 -12.740 -0.999 1.00 1.37 H new ATOM 0 HG2 GLN A 86 12.406 -11.833 1.755 1.00 1.47 H new ATOM 0 HG3 GLN A 86 11.346 -12.529 0.546 1.00 1.47 H new ATOM 0 HE21 GLN A 86 12.989 -14.541 -0.538 1.00 3.09 H new ATOM 0 HE22 GLN A 86 13.285 -15.759 0.707 1.00 3.09 H new ATOM 1243 N ARG A 87 15.892 -13.416 -1.032 1.00 1.11 N ATOM 1244 CA ARG A 87 16.696 -14.614 -1.255 1.00 1.09 C ATOM 1245 C ARG A 87 18.065 -14.458 -0.597 1.00 0.91 C ATOM 1246 O ARG A 87 18.538 -15.353 0.102 1.00 0.87 O ATOM 1247 CB ARG A 87 16.858 -14.882 -2.755 1.00 1.29 C ATOM 1248 CG ARG A 87 16.035 -16.060 -3.254 1.00 1.78 C ATOM 1249 CD ARG A 87 16.305 -16.357 -4.723 1.00 2.22 C ATOM 1250 NE ARG A 87 16.587 -15.143 -5.490 1.00 2.81 N ATOM 1251 CZ ARG A 87 17.782 -14.831 -5.987 1.00 3.73 C ATOM 1252 NH1 ARG A 87 18.808 -15.644 -5.782 1.00 4.21 N ATOM 1253 NH2 ARG A 87 17.954 -13.719 -6.691 1.00 4.43 N ATOM 0 H ARG A 87 15.620 -12.926 -1.884 1.00 1.11 H new ATOM 0 HA ARG A 87 16.183 -15.464 -0.806 1.00 1.09 H new ATOM 0 HB2 ARG A 87 16.571 -13.988 -3.309 1.00 1.29 H new ATOM 0 HB3 ARG A 87 17.910 -15.067 -2.971 1.00 1.29 H new ATOM 0 HG2 ARG A 87 16.264 -16.942 -2.657 1.00 1.78 H new ATOM 0 HG3 ARG A 87 14.975 -15.848 -3.115 1.00 1.78 H new ATOM 0 HD2 ARG A 87 17.150 -17.041 -4.804 1.00 2.22 H new ATOM 0 HD3 ARG A 87 15.442 -16.865 -5.154 1.00 2.22 H new ATOM 0 HE ARG A 87 15.818 -14.494 -5.655 1.00 2.81 H new ATOM 0 HH11 ARG A 87 18.679 -16.502 -5.246 1.00 4.21 H new ATOM 0 HH12 ARG A 87 19.726 -15.411 -6.160 1.00 4.21 H new ATOM 0 HH21 ARG A 87 17.166 -13.093 -6.856 1.00 4.43 H new ATOM 0 HH22 ARG A 87 18.874 -13.490 -7.067 1.00 4.43 H new ATOM 1267 N LEU A 88 18.694 -13.310 -0.828 1.00 0.87 N ATOM 1268 CA LEU A 88 20.000 -13.018 -0.258 1.00 0.78 C ATOM 1269 C LEU A 88 19.955 -13.158 1.258 1.00 0.71 C ATOM 1270 O LEU A 88 20.856 -13.733 1.864 1.00 0.67 O ATOM 1271 CB LEU A 88 20.444 -11.605 -0.649 1.00 0.86 C ATOM 1272 CG LEU A 88 21.795 -11.162 -0.078 1.00 1.04 C ATOM 1273 CD1 LEU A 88 22.918 -12.034 -0.620 1.00 1.15 C ATOM 1274 CD2 LEU A 88 22.055 -9.696 -0.394 1.00 1.90 C ATOM 0 H LEU A 88 18.315 -12.563 -1.411 1.00 0.87 H new ATOM 0 HA LEU A 88 20.723 -13.732 -0.653 1.00 0.78 H new ATOM 0 HB2 LEU A 88 20.490 -11.544 -1.736 1.00 0.86 H new ATOM 0 HB3 LEU A 88 19.681 -10.899 -0.322 1.00 0.86 H new ATOM 0 HG LEU A 88 21.764 -11.279 1.005 1.00 1.04 H new ATOM 0 HD11 LEU A 88 23.869 -11.703 -0.203 1.00 1.15 H new ATOM 0 HD12 LEU A 88 22.740 -13.072 -0.340 1.00 1.15 H new ATOM 0 HD13 LEU A 88 22.950 -11.952 -1.706 1.00 1.15 H new ATOM 0 HD21 LEU A 88 23.019 -9.400 0.020 1.00 1.90 H new ATOM 0 HD22 LEU A 88 22.064 -9.553 -1.475 1.00 1.90 H new ATOM 0 HD23 LEU A 88 21.268 -9.084 0.046 1.00 1.90 H new ATOM 1286 N ALA A 89 18.887 -12.640 1.865 1.00 0.77 N ATOM 1287 CA ALA A 89 18.715 -12.722 3.309 1.00 0.81 C ATOM 1288 C ALA A 89 18.718 -14.177 3.753 1.00 0.74 C ATOM 1289 O ALA A 89 19.287 -14.524 4.789 1.00 0.77 O ATOM 1290 CB ALA A 89 17.423 -12.037 3.731 1.00 0.97 C ATOM 0 H ALA A 89 18.131 -12.160 1.377 1.00 0.77 H new ATOM 0 HA ALA A 89 19.547 -12.208 3.791 1.00 0.81 H new ATOM 0 HB1 ALA A 89 17.310 -12.108 4.813 1.00 0.97 H new ATOM 0 HB2 ALA A 89 17.455 -10.988 3.437 1.00 0.97 H new ATOM 0 HB3 ALA A 89 16.577 -12.524 3.246 1.00 0.97 H new ATOM 1296 N GLN A 90 18.089 -15.028 2.948 1.00 0.73 N ATOM 1297 CA GLN A 90 18.027 -16.455 3.240 1.00 0.79 C ATOM 1298 C GLN A 90 19.426 -17.055 3.193 1.00 0.73 C ATOM 1299 O GLN A 90 19.804 -17.853 4.053 1.00 0.79 O ATOM 1300 CB GLN A 90 17.109 -17.170 2.242 1.00 0.90 C ATOM 1301 CG GLN A 90 15.872 -17.783 2.882 1.00 1.35 C ATOM 1302 CD GLN A 90 14.828 -18.185 1.860 1.00 1.96 C ATOM 1303 OE1 GLN A 90 14.072 -17.348 1.369 1.00 2.38 O ATOM 1304 NE2 GLN A 90 14.781 -19.471 1.532 1.00 2.72 N ATOM 0 H GLN A 90 17.615 -14.753 2.088 1.00 0.73 H new ATOM 0 HA GLN A 90 17.616 -16.589 4.241 1.00 0.79 H new ATOM 0 HB2 GLN A 90 16.797 -16.461 1.475 1.00 0.90 H new ATOM 0 HB3 GLN A 90 17.674 -17.955 1.739 1.00 0.90 H new ATOM 0 HG2 GLN A 90 16.163 -18.658 3.463 1.00 1.35 H new ATOM 0 HG3 GLN A 90 15.436 -17.068 3.580 1.00 1.35 H new ATOM 0 HE21 GLN A 90 15.427 -20.131 1.964 1.00 2.72 H new ATOM 0 HE22 GLN A 90 14.099 -19.798 0.848 1.00 2.72 H new ATOM 1313 N PHE A 91 20.197 -16.663 2.181 1.00 0.66 N ATOM 1314 CA PHE A 91 21.557 -17.157 2.029 1.00 0.67 C ATOM 1315 C PHE A 91 22.355 -16.867 3.291 1.00 0.67 C ATOM 1316 O PHE A 91 23.004 -17.752 3.839 1.00 0.74 O ATOM 1317 CB PHE A 91 22.242 -16.520 0.811 1.00 0.65 C ATOM 1318 CG PHE A 91 23.580 -17.128 0.491 1.00 0.66 C ATOM 1319 CD1 PHE A 91 24.678 -16.876 1.296 1.00 1.03 C ATOM 1320 CD2 PHE A 91 23.744 -17.941 -0.621 1.00 0.93 C ATOM 1321 CE1 PHE A 91 25.909 -17.423 1.001 1.00 1.19 C ATOM 1322 CE2 PHE A 91 24.973 -18.490 -0.918 1.00 0.92 C ATOM 1323 CZ PHE A 91 26.045 -18.269 -0.090 1.00 0.90 C ATOM 0 H PHE A 91 19.901 -16.007 1.458 1.00 0.66 H new ATOM 0 HA PHE A 91 21.516 -18.234 1.868 1.00 0.67 H new ATOM 0 HB2 PHE A 91 21.590 -16.619 -0.056 1.00 0.65 H new ATOM 0 HB3 PHE A 91 22.370 -15.453 0.993 1.00 0.65 H new ATOM 0 HD1 PHE A 91 24.569 -16.244 2.165 1.00 1.03 H new ATOM 0 HD2 PHE A 91 22.899 -18.146 -1.261 1.00 0.93 H new ATOM 0 HE1 PHE A 91 26.765 -17.193 1.618 1.00 1.19 H new ATOM 0 HE2 PHE A 91 25.093 -19.095 -1.804 1.00 0.92 H new ATOM 0 HZ PHE A 91 26.991 -18.752 -0.287 1.00 0.90 H new ATOM 1333 N VAL A 92 22.289 -15.623 3.762 1.00 0.64 N ATOM 1334 CA VAL A 92 23.005 -15.231 4.970 1.00 0.72 C ATOM 1335 C VAL A 92 22.693 -16.187 6.115 1.00 0.77 C ATOM 1336 O VAL A 92 23.598 -16.738 6.732 1.00 0.86 O ATOM 1337 CB VAL A 92 22.662 -13.791 5.409 1.00 0.77 C ATOM 1338 CG1 VAL A 92 23.753 -13.234 6.312 1.00 0.86 C ATOM 1339 CG2 VAL A 92 22.452 -12.891 4.201 1.00 1.37 C ATOM 0 H VAL A 92 21.750 -14.874 3.327 1.00 0.64 H new ATOM 0 HA VAL A 92 24.067 -15.273 4.730 1.00 0.72 H new ATOM 0 HB VAL A 92 21.730 -13.820 5.974 1.00 0.77 H new ATOM 0 HG11 VAL A 92 23.494 -12.218 6.611 1.00 0.86 H new ATOM 0 HG12 VAL A 92 23.847 -13.861 7.199 1.00 0.86 H new ATOM 0 HG13 VAL A 92 24.701 -13.223 5.774 1.00 0.86 H new ATOM 0 HG21 VAL A 92 22.212 -11.882 4.536 1.00 1.37 H new ATOM 0 HG22 VAL A 92 23.363 -12.867 3.602 1.00 1.37 H new ATOM 0 HG23 VAL A 92 21.631 -13.278 3.597 1.00 1.37 H new ATOM 1349 N ASP A 93 21.405 -16.390 6.388 1.00 0.77 N ATOM 1350 CA ASP A 93 20.987 -17.294 7.459 1.00 0.86 C ATOM 1351 C ASP A 93 21.674 -18.645 7.312 1.00 0.91 C ATOM 1352 O ASP A 93 22.308 -19.133 8.246 1.00 1.00 O ATOM 1353 CB ASP A 93 19.464 -17.470 7.461 1.00 0.90 C ATOM 1354 CG ASP A 93 19.048 -18.919 7.642 1.00 1.10 C ATOM 1355 OD1 ASP A 93 19.798 -19.812 7.196 1.00 1.71 O ATOM 1356 OD2 ASP A 93 17.970 -19.158 8.226 1.00 1.55 O ATOM 0 H ASP A 93 20.637 -15.944 5.886 1.00 0.77 H new ATOM 0 HA ASP A 93 21.282 -16.852 8.411 1.00 0.86 H new ATOM 0 HB2 ASP A 93 19.033 -16.869 8.261 1.00 0.90 H new ATOM 0 HB3 ASP A 93 19.056 -17.092 6.523 1.00 0.90 H new ATOM 1361 N HIS A 94 21.571 -19.234 6.123 1.00 0.89 N ATOM 1362 CA HIS A 94 22.205 -20.520 5.860 1.00 0.98 C ATOM 1363 C HIS A 94 23.693 -20.438 6.167 1.00 1.00 C ATOM 1364 O HIS A 94 24.226 -21.233 6.935 1.00 1.12 O ATOM 1365 CB HIS A 94 21.999 -20.923 4.403 1.00 1.00 C ATOM 1366 CG HIS A 94 20.791 -21.779 4.190 1.00 1.35 C ATOM 1367 ND1 HIS A 94 20.582 -22.979 4.833 1.00 2.17 N ATOM 1368 CD2 HIS A 94 19.703 -21.582 3.403 1.00 1.73 C ATOM 1369 CE1 HIS A 94 19.402 -23.464 4.426 1.00 2.46 C ATOM 1370 NE2 HIS A 94 18.828 -22.654 3.557 1.00 2.14 N ATOM 0 H HIS A 94 21.058 -18.843 5.333 1.00 0.89 H new ATOM 0 HA HIS A 94 21.748 -21.273 6.502 1.00 0.98 H new ATOM 0 HB2 HIS A 94 21.910 -20.024 3.794 1.00 1.00 H new ATOM 0 HB3 HIS A 94 22.881 -21.459 4.053 1.00 1.00 H new ATOM 0 HD2 HIS A 94 19.542 -20.730 2.760 1.00 1.73 H new ATOM 0 HE1 HIS A 94 18.976 -24.397 4.765 1.00 2.46 H new ATOM 0 HE2 HIS A 94 17.929 -22.786 3.094 1.00 2.14 H new ATOM 1378 N TRP A 95 24.351 -19.445 5.573 1.00 0.93 N ATOM 1379 CA TRP A 95 25.774 -19.229 5.784 1.00 1.00 C ATOM 1380 C TRP A 95 26.080 -19.187 7.275 1.00 1.06 C ATOM 1381 O TRP A 95 27.032 -19.806 7.744 1.00 1.16 O ATOM 1382 CB TRP A 95 26.214 -17.920 5.118 1.00 0.97 C ATOM 1383 CG TRP A 95 27.668 -17.621 5.307 1.00 1.09 C ATOM 1384 CD1 TRP A 95 28.214 -16.517 5.900 1.00 2.01 C ATOM 1385 CD2 TRP A 95 28.764 -18.447 4.909 1.00 1.04 C ATOM 1386 NE1 TRP A 95 29.585 -16.609 5.893 1.00 1.88 N ATOM 1387 CE2 TRP A 95 29.945 -17.785 5.292 1.00 1.04 C ATOM 1388 CE3 TRP A 95 28.860 -19.684 4.268 1.00 2.03 C ATOM 1389 CZ2 TRP A 95 31.204 -18.321 5.056 1.00 1.13 C ATOM 1390 CZ3 TRP A 95 30.112 -20.214 4.033 1.00 2.64 C ATOM 1391 CH2 TRP A 95 31.269 -19.535 4.428 1.00 2.05 C ATOM 0 H TRP A 95 23.915 -18.776 4.939 1.00 0.93 H new ATOM 0 HA TRP A 95 26.326 -20.054 5.334 1.00 1.00 H new ATOM 0 HB2 TRP A 95 25.996 -17.972 4.051 1.00 0.97 H new ATOM 0 HB3 TRP A 95 25.625 -17.098 5.524 1.00 0.97 H new ATOM 0 HD1 TRP A 95 27.651 -15.693 6.313 1.00 2.01 H new ATOM 0 HE1 TRP A 95 30.229 -15.915 6.273 1.00 1.88 H new ATOM 0 HE3 TRP A 95 27.971 -20.216 3.962 1.00 2.03 H new ATOM 0 HZ2 TRP A 95 32.100 -17.798 5.357 1.00 1.13 H new ATOM 0 HZ3 TRP A 95 30.200 -21.169 3.536 1.00 2.64 H new ATOM 0 HH2 TRP A 95 32.234 -19.978 4.233 1.00 2.05 H new ATOM 1402 N LYS A 96 25.246 -18.461 8.007 1.00 1.03 N ATOM 1403 CA LYS A 96 25.392 -18.339 9.451 1.00 1.12 C ATOM 1404 C LYS A 96 25.438 -19.719 10.093 1.00 1.21 C ATOM 1405 O LYS A 96 26.386 -20.055 10.801 1.00 1.32 O ATOM 1406 CB LYS A 96 24.229 -17.523 10.031 1.00 1.12 C ATOM 1407 CG LYS A 96 24.639 -16.162 10.575 1.00 1.49 C ATOM 1408 CD LYS A 96 23.433 -15.356 11.042 1.00 1.83 C ATOM 1409 CE LYS A 96 22.620 -14.819 9.869 1.00 2.36 C ATOM 1410 NZ LYS A 96 21.158 -15.036 10.058 1.00 2.86 N ATOM 0 H LYS A 96 24.456 -17.944 7.621 1.00 1.03 H new ATOM 0 HA LYS A 96 26.327 -17.822 9.668 1.00 1.12 H new ATOM 0 HB2 LYS A 96 23.476 -17.381 9.256 1.00 1.12 H new ATOM 0 HB3 LYS A 96 23.760 -18.096 10.831 1.00 1.12 H new ATOM 0 HG2 LYS A 96 25.331 -16.296 11.406 1.00 1.49 H new ATOM 0 HG3 LYS A 96 25.171 -15.607 9.803 1.00 1.49 H new ATOM 0 HD2 LYS A 96 22.797 -15.983 11.668 1.00 1.83 H new ATOM 0 HD3 LYS A 96 23.770 -14.525 11.661 1.00 1.83 H new ATOM 0 HE2 LYS A 96 22.816 -13.753 9.750 1.00 2.36 H new ATOM 0 HE3 LYS A 96 22.943 -15.308 8.950 1.00 2.36 H new ATOM 0 HZ1 LYS A 96 20.675 -14.963 9.140 1.00 2.86 H new ATOM 0 HZ2 LYS A 96 20.997 -15.981 10.460 1.00 2.86 H new ATOM 0 HZ3 LYS A 96 20.781 -14.315 10.706 1.00 2.86 H new ATOM 1424 N GLU A 97 24.412 -20.519 9.825 1.00 1.20 N ATOM 1425 CA GLU A 97 24.333 -21.873 10.361 1.00 1.32 C ATOM 1426 C GLU A 97 25.605 -22.647 10.024 1.00 1.36 C ATOM 1427 O GLU A 97 26.161 -23.345 10.869 1.00 1.47 O ATOM 1428 CB GLU A 97 23.079 -22.580 9.810 1.00 1.36 C ATOM 1429 CG GLU A 97 23.318 -23.967 9.215 1.00 1.86 C ATOM 1430 CD GLU A 97 23.396 -25.056 10.272 1.00 2.35 C ATOM 1431 OE1 GLU A 97 24.445 -25.158 10.945 1.00 3.03 O ATOM 1432 OE2 GLU A 97 22.414 -25.810 10.425 1.00 2.68 O ATOM 0 H GLU A 97 23.621 -20.252 9.238 1.00 1.20 H new ATOM 0 HA GLU A 97 24.248 -21.830 11.447 1.00 1.32 H new ATOM 0 HB2 GLU A 97 22.349 -22.669 10.615 1.00 1.36 H new ATOM 0 HB3 GLU A 97 22.632 -21.946 9.044 1.00 1.36 H new ATOM 0 HG2 GLU A 97 22.514 -24.201 8.517 1.00 1.86 H new ATOM 0 HG3 GLU A 97 24.245 -23.957 8.642 1.00 1.86 H new ATOM 1439 N LEU A 98 26.060 -22.511 8.783 1.00 1.31 N ATOM 1440 CA LEU A 98 27.267 -23.195 8.327 1.00 1.37 C ATOM 1441 C LEU A 98 28.468 -22.807 9.183 1.00 1.42 C ATOM 1442 O LEU A 98 29.161 -23.671 9.721 1.00 1.54 O ATOM 1443 CB LEU A 98 27.536 -22.866 6.855 1.00 1.31 C ATOM 1444 CG LEU A 98 28.041 -24.039 6.009 1.00 1.61 C ATOM 1445 CD1 LEU A 98 27.941 -23.709 4.526 1.00 2.07 C ATOM 1446 CD2 LEU A 98 29.474 -24.393 6.383 1.00 2.38 C ATOM 0 H LEU A 98 25.611 -21.932 8.073 1.00 1.31 H new ATOM 0 HA LEU A 98 27.111 -24.269 8.427 1.00 1.37 H new ATOM 0 HB2 LEU A 98 26.616 -22.486 6.410 1.00 1.31 H new ATOM 0 HB3 LEU A 98 28.269 -22.061 6.807 1.00 1.31 H new ATOM 0 HG LEU A 98 27.411 -24.905 6.212 1.00 1.61 H new ATOM 0 HD11 LEU A 98 28.304 -24.553 3.940 1.00 2.07 H new ATOM 0 HD12 LEU A 98 26.901 -23.508 4.267 1.00 2.07 H new ATOM 0 HD13 LEU A 98 28.546 -22.829 4.307 1.00 2.07 H new ATOM 0 HD21 LEU A 98 29.814 -25.228 5.771 1.00 2.38 H new ATOM 0 HD22 LEU A 98 30.119 -23.531 6.211 1.00 2.38 H new ATOM 0 HD23 LEU A 98 29.517 -24.673 7.435 1.00 2.38 H new ATOM 1458 N LYS A 99 28.705 -21.505 9.321 1.00 1.38 N ATOM 1459 CA LYS A 99 29.819 -21.020 10.125 1.00 1.47 C ATOM 1460 C LYS A 99 29.695 -21.538 11.554 1.00 1.60 C ATOM 1461 O LYS A 99 30.669 -21.998 12.150 1.00 1.74 O ATOM 1462 CB LYS A 99 29.867 -19.488 10.109 1.00 1.45 C ATOM 1463 CG LYS A 99 31.000 -18.924 9.262 1.00 1.90 C ATOM 1464 CD LYS A 99 31.629 -17.694 9.902 1.00 2.41 C ATOM 1465 CE LYS A 99 30.672 -16.512 9.912 1.00 3.14 C ATOM 1466 NZ LYS A 99 30.250 -16.129 8.537 1.00 4.07 N ATOM 0 H LYS A 99 28.143 -20.772 8.888 1.00 1.38 H new ATOM 0 HA LYS A 99 30.749 -21.393 9.697 1.00 1.47 H new ATOM 0 HB2 LYS A 99 28.918 -19.107 9.732 1.00 1.45 H new ATOM 0 HB3 LYS A 99 29.973 -19.125 11.131 1.00 1.45 H new ATOM 0 HG2 LYS A 99 31.763 -19.690 9.120 1.00 1.90 H new ATOM 0 HG3 LYS A 99 30.620 -18.665 8.274 1.00 1.90 H new ATOM 0 HD2 LYS A 99 31.928 -17.928 10.924 1.00 2.41 H new ATOM 0 HD3 LYS A 99 32.535 -17.424 9.359 1.00 2.41 H new ATOM 0 HE2 LYS A 99 29.793 -16.762 10.505 1.00 3.14 H new ATOM 0 HE3 LYS A 99 31.151 -15.661 10.395 1.00 3.14 H new ATOM 0 HZ1 LYS A 99 29.754 -15.216 8.568 1.00 4.07 H new ATOM 0 HZ2 LYS A 99 31.088 -16.047 7.927 1.00 4.07 H new ATOM 0 HZ3 LYS A 99 29.613 -16.856 8.154 1.00 4.07 H new ATOM 1480 N GLN A 100 28.478 -21.479 12.088 1.00 1.58 N ATOM 1481 CA GLN A 100 28.205 -21.959 13.437 1.00 1.72 C ATOM 1482 C GLN A 100 28.605 -23.424 13.567 1.00 1.81 C ATOM 1483 O GLN A 100 29.374 -23.791 14.455 1.00 1.95 O ATOM 1484 CB GLN A 100 26.719 -21.781 13.767 1.00 1.71 C ATOM 1485 CG GLN A 100 26.417 -20.531 14.581 1.00 1.93 C ATOM 1486 CD GLN A 100 26.366 -19.276 13.730 1.00 2.66 C ATOM 1487 OE1 GLN A 100 27.498 -18.916 13.137 1.00 3.23 O flip ATOM 1488 NE2 GLN A 100 25.321 -18.638 13.605 1.00 3.33 N flip ATOM 0 H GLN A 100 27.663 -21.102 11.604 1.00 1.58 H new ATOM 0 HA GLN A 100 28.794 -21.375 14.145 1.00 1.72 H new ATOM 0 HB2 GLN A 100 26.152 -21.744 12.837 1.00 1.71 H new ATOM 0 HB3 GLN A 100 26.371 -22.655 14.318 1.00 1.71 H new ATOM 0 HG2 GLN A 100 25.463 -20.657 15.092 1.00 1.93 H new ATOM 0 HG3 GLN A 100 27.178 -20.412 15.352 1.00 1.93 H new ATOM 0 HE21 GLN A 100 24.473 -18.950 14.079 1.00 3.33 H new ATOM 0 HE22 GLN A 100 25.303 -17.797 13.028 1.00 3.33 H new ATOM 1497 N LEU A 101 28.090 -24.257 12.665 1.00 1.77 N ATOM 1498 CA LEU A 101 28.404 -25.680 12.667 1.00 1.89 C ATOM 1499 C LEU A 101 29.915 -25.883 12.678 1.00 1.96 C ATOM 1500 O LEU A 101 30.443 -26.645 13.485 1.00 2.12 O ATOM 1501 CB LEU A 101 27.787 -26.365 11.444 1.00 1.86 C ATOM 1502 CG LEU A 101 27.240 -27.775 11.694 1.00 2.09 C ATOM 1503 CD1 LEU A 101 26.054 -28.059 10.782 1.00 2.56 C ATOM 1504 CD2 LEU A 101 28.332 -28.816 11.496 1.00 2.59 C ATOM 0 H LEU A 101 27.452 -23.968 11.923 1.00 1.77 H new ATOM 0 HA LEU A 101 27.981 -26.129 13.566 1.00 1.89 H new ATOM 0 HB2 LEU A 101 26.978 -25.740 11.067 1.00 1.86 H new ATOM 0 HB3 LEU A 101 28.541 -26.419 10.658 1.00 1.86 H new ATOM 0 HG LEU A 101 26.898 -27.832 12.727 1.00 2.09 H new ATOM 0 HD11 LEU A 101 25.680 -29.064 10.974 1.00 2.56 H new ATOM 0 HD12 LEU A 101 25.264 -27.334 10.977 1.00 2.56 H new ATOM 0 HD13 LEU A 101 26.369 -27.982 9.741 1.00 2.56 H new ATOM 0 HD21 LEU A 101 27.924 -29.810 11.678 1.00 2.59 H new ATOM 0 HD22 LEU A 101 28.708 -28.759 10.474 1.00 2.59 H new ATOM 0 HD23 LEU A 101 29.147 -28.625 12.194 1.00 2.59 H new ATOM 1516 N ALA A 102 30.603 -25.184 11.777 1.00 1.86 N ATOM 1517 CA ALA A 102 32.055 -25.274 11.682 1.00 1.95 C ATOM 1518 C ALA A 102 32.702 -25.025 13.042 1.00 2.09 C ATOM 1519 O ALA A 102 33.519 -25.820 13.505 1.00 2.24 O ATOM 1520 CB ALA A 102 32.578 -24.285 10.652 1.00 1.85 C ATOM 0 H ALA A 102 30.176 -24.549 11.103 1.00 1.86 H new ATOM 0 HA ALA A 102 32.318 -26.282 11.361 1.00 1.95 H new ATOM 0 HB1 ALA A 102 33.664 -24.363 10.591 1.00 1.85 H new ATOM 0 HB2 ALA A 102 32.143 -24.510 9.678 1.00 1.85 H new ATOM 0 HB3 ALA A 102 32.303 -23.272 10.947 1.00 1.85 H new ATOM 1526 N ALA A 103 32.323 -23.918 13.679 1.00 2.07 N ATOM 1527 CA ALA A 103 32.860 -23.568 14.990 1.00 2.24 C ATOM 1528 C ALA A 103 32.669 -24.717 15.977 1.00 2.38 C ATOM 1529 O ALA A 103 33.603 -25.115 16.673 1.00 2.56 O ATOM 1530 CB ALA A 103 32.198 -22.298 15.512 1.00 2.21 C ATOM 0 H ALA A 103 31.647 -23.250 13.308 1.00 2.07 H new ATOM 0 HA ALA A 103 33.929 -23.384 14.886 1.00 2.24 H new ATOM 0 HB1 ALA A 103 32.609 -22.049 16.491 1.00 2.21 H new ATOM 0 HB2 ALA A 103 32.388 -21.478 14.820 1.00 2.21 H new ATOM 0 HB3 ALA A 103 31.123 -22.457 15.599 1.00 2.21 H new ATOM 1536 N ALA A 104 31.450 -25.249 16.024 1.00 2.34 N ATOM 1537 CA ALA A 104 31.133 -26.359 16.915 1.00 2.50 C ATOM 1538 C ALA A 104 32.003 -27.569 16.594 1.00 2.58 C ATOM 1539 O ALA A 104 32.442 -28.288 17.490 1.00 2.74 O ATOM 1540 CB ALA A 104 29.658 -26.719 16.808 1.00 2.48 C ATOM 0 H ALA A 104 30.666 -24.928 15.455 1.00 2.34 H new ATOM 0 HA ALA A 104 31.341 -26.050 17.939 1.00 2.50 H new ATOM 0 HB1 ALA A 104 29.436 -27.549 17.479 1.00 2.48 H new ATOM 0 HB2 ALA A 104 29.052 -25.857 17.085 1.00 2.48 H new ATOM 0 HB3 ALA A 104 29.428 -27.010 15.783 1.00 2.48 H new ATOM 1546 N ARG A 105 32.246 -27.781 15.305 1.00 2.50 N ATOM 1547 CA ARG A 105 33.063 -28.898 14.847 1.00 2.60 C ATOM 1548 C ARG A 105 34.495 -28.758 15.355 1.00 2.72 C ATOM 1549 O ARG A 105 35.108 -29.734 15.784 1.00 2.88 O ATOM 1550 CB ARG A 105 33.044 -28.970 13.316 1.00 2.49 C ATOM 1551 CG ARG A 105 32.867 -30.379 12.769 1.00 2.62 C ATOM 1552 CD ARG A 105 31.409 -30.819 12.807 1.00 2.76 C ATOM 1553 NE ARG A 105 30.888 -30.877 14.171 1.00 3.19 N ATOM 1554 CZ ARG A 105 31.208 -31.825 15.048 1.00 3.86 C ATOM 1555 NH1 ARG A 105 32.032 -32.801 14.701 1.00 4.42 N ATOM 1556 NH2 ARG A 105 30.705 -31.801 16.275 1.00 4.39 N ATOM 0 H ARG A 105 31.886 -27.190 14.555 1.00 2.50 H new ATOM 0 HA ARG A 105 32.646 -29.822 15.248 1.00 2.60 H new ATOM 0 HB2 ARG A 105 32.236 -28.341 12.942 1.00 2.49 H new ATOM 0 HB3 ARG A 105 33.975 -28.555 12.931 1.00 2.49 H new ATOM 0 HG2 ARG A 105 33.233 -30.420 11.743 1.00 2.62 H new ATOM 0 HG3 ARG A 105 33.472 -31.074 13.351 1.00 2.62 H new ATOM 0 HD2 ARG A 105 30.807 -30.127 12.218 1.00 2.76 H new ATOM 0 HD3 ARG A 105 31.314 -31.800 12.341 1.00 2.76 H new ATOM 0 HE ARG A 105 30.240 -30.147 14.468 1.00 3.19 H new ATOM 0 HH11 ARG A 105 32.423 -32.828 13.759 1.00 4.42 H new ATOM 0 HH12 ARG A 105 32.276 -33.527 15.375 1.00 4.42 H new ATOM 0 HH21 ARG A 105 30.069 -31.053 16.551 1.00 4.39 H new ATOM 0 HH22 ARG A 105 30.954 -32.531 16.943 1.00 4.39 H new ATOM 1570 N GLY A 106 35.018 -27.536 15.309 1.00 2.67 N ATOM 1571 CA GLY A 106 36.370 -27.288 15.778 1.00 2.83 C ATOM 1572 C GLY A 106 36.535 -27.656 17.239 1.00 3.06 C ATOM 1573 O GLY A 106 37.551 -28.231 17.632 1.00 3.27 O ATOM 0 H GLY A 106 34.530 -26.713 14.955 1.00 2.67 H new ATOM 0 HA2 GLY A 106 37.075 -27.863 15.177 1.00 2.83 H new ATOM 0 HA3 GLY A 106 36.616 -26.235 15.638 1.00 2.83 H new ATOM 1577 N GLN A 107 35.528 -27.323 18.043 1.00 3.06 N ATOM 1578 CA GLN A 107 35.550 -27.624 19.470 1.00 3.32 C ATOM 1579 C GLN A 107 35.403 -29.127 19.696 1.00 3.48 C ATOM 1580 O GLN A 107 36.070 -29.707 20.554 1.00 3.75 O ATOM 1581 CB GLN A 107 34.426 -26.870 20.188 1.00 3.32 C ATOM 1582 CG GLN A 107 34.583 -26.827 21.701 1.00 3.59 C ATOM 1583 CD GLN A 107 33.560 -25.926 22.369 1.00 3.56 C ATOM 1584 OE1 GLN A 107 33.896 -24.854 22.874 1.00 3.65 O ATOM 1585 NE2 GLN A 107 32.304 -26.357 22.376 1.00 4.07 N ATOM 0 H GLN A 107 34.685 -26.843 17.728 1.00 3.06 H new ATOM 0 HA GLN A 107 36.507 -27.300 19.880 1.00 3.32 H new ATOM 0 HB2 GLN A 107 34.385 -25.849 19.807 1.00 3.32 H new ATOM 0 HB3 GLN A 107 33.473 -27.340 19.944 1.00 3.32 H new ATOM 0 HG2 GLN A 107 34.489 -27.837 22.101 1.00 3.59 H new ATOM 0 HG3 GLN A 107 35.586 -26.478 21.949 1.00 3.59 H new ATOM 0 HE21 GLN A 107 32.069 -27.252 21.946 1.00 4.07 H new ATOM 0 HE22 GLN A 107 31.574 -25.793 22.811 1.00 4.07 H new TER 1594 GLN A 107