USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 871 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 106 TYR OH : rot -82:sc= 0.155 USER MOD Set 1.2: A 108 ASN : amide:sc= -0.0466 K(o=0.11,f=-0.6) USER MOD Single : A 7 ASN : amide:sc= -2.01! C(o=-2!,f=-8.2!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 14 TYR OH : rot -118:sc= -2.17! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot -150:sc= -11.4! USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 160:sc= -1.49! USER MOD Single : A 44 SER OG : rot -50:sc= -1.03! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.47! C(o=-1.5!,f=-1.5!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -112:sc= -0.943 (180deg=-3.35!) USER MOD Single : A 82 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-0.48) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0652 X(o=-0.065,f=-0.19) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot -160:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 153:sc= -1.72 (180deg=-2.55!) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 6.357 -5.016 3.541 1.00 0.45 N ATOM 45 CA VAL A 4 7.356 -5.092 2.437 1.00 0.64 C ATOM 46 C VAL A 4 8.331 -6.262 2.657 1.00 0.45 C ATOM 47 O VAL A 4 8.685 -6.588 3.769 1.00 0.42 O ATOM 48 CB VAL A 4 8.151 -3.802 2.421 1.00 1.17 C ATOM 49 CG1 VAL A 4 8.927 -3.651 3.732 1.00 1.63 C ATOM 50 CG2 VAL A 4 9.129 -3.835 1.245 1.00 2.36 C ATOM 0 HA VAL A 4 6.829 -5.245 1.495 1.00 0.64 H new ATOM 0 HB VAL A 4 7.472 -2.956 2.314 1.00 1.17 H new ATOM 0 HG11 VAL A 4 9.496 -2.721 3.713 1.00 1.63 H new ATOM 0 HG12 VAL A 4 8.228 -3.632 4.568 1.00 1.63 H new ATOM 0 HG13 VAL A 4 9.610 -4.492 3.849 1.00 1.63 H new ATOM 0 HG21 VAL A 4 9.706 -2.910 1.225 1.00 2.36 H new ATOM 0 HG22 VAL A 4 9.805 -4.682 1.358 1.00 2.36 H new ATOM 0 HG23 VAL A 4 8.574 -3.936 0.313 1.00 2.36 H new ATOM 60 N LEU A 5 8.808 -6.859 1.593 1.00 0.48 N ATOM 61 CA LEU A 5 9.811 -7.965 1.713 1.00 0.52 C ATOM 62 C LEU A 5 9.260 -9.175 2.484 1.00 0.51 C ATOM 63 O LEU A 5 8.505 -9.043 3.428 1.00 0.58 O ATOM 64 CB LEU A 5 11.043 -7.421 2.434 1.00 0.61 C ATOM 65 CG LEU A 5 11.240 -5.939 2.086 1.00 0.61 C ATOM 66 CD1 LEU A 5 12.606 -5.480 2.592 1.00 0.61 C ATOM 67 CD2 LEU A 5 11.179 -5.744 0.567 1.00 0.61 C ATOM 0 H LEU A 5 8.543 -6.626 0.636 1.00 0.48 H new ATOM 0 HA LEU A 5 10.060 -8.310 0.709 1.00 0.52 H new ATOM 0 HB2 LEU A 5 10.926 -7.538 3.511 1.00 0.61 H new ATOM 0 HB3 LEU A 5 11.926 -7.992 2.145 1.00 0.61 H new ATOM 0 HG LEU A 5 10.450 -5.354 2.557 1.00 0.61 H new ATOM 0 HD11 LEU A 5 12.750 -4.428 2.347 1.00 0.61 H new ATOM 0 HD12 LEU A 5 12.656 -5.611 3.673 1.00 0.61 H new ATOM 0 HD13 LEU A 5 13.388 -6.073 2.118 1.00 0.61 H new ATOM 0 HD21 LEU A 5 11.320 -4.690 0.330 1.00 0.61 H new ATOM 0 HD22 LEU A 5 11.966 -6.331 0.093 1.00 0.61 H new ATOM 0 HD23 LEU A 5 10.208 -6.073 0.197 1.00 0.61 H new ATOM 79 N GLU A 6 9.648 -10.363 2.068 1.00 0.43 N ATOM 80 CA GLU A 6 9.173 -11.613 2.741 1.00 0.45 C ATOM 81 C GLU A 6 10.318 -12.635 2.881 1.00 0.40 C ATOM 82 O GLU A 6 11.238 -12.675 2.089 1.00 0.34 O ATOM 83 CB GLU A 6 8.047 -12.231 1.914 1.00 0.42 C ATOM 84 CG GLU A 6 6.736 -12.120 2.684 1.00 2.88 C ATOM 85 CD GLU A 6 6.231 -13.520 3.037 1.00 3.53 C ATOM 86 OE1 GLU A 6 5.994 -14.291 2.121 1.00 3.87 O ATOM 87 OE2 GLU A 6 6.089 -13.798 4.216 1.00 4.04 O ATOM 0 H GLU A 6 10.280 -10.517 1.282 1.00 0.43 H new ATOM 0 HA GLU A 6 8.815 -11.355 3.738 1.00 0.45 H new ATOM 0 HB2 GLU A 6 7.963 -11.721 0.955 1.00 0.42 H new ATOM 0 HB3 GLU A 6 8.269 -13.277 1.700 1.00 0.42 H new ATOM 0 HG2 GLU A 6 6.884 -11.536 3.592 1.00 2.88 H new ATOM 0 HG3 GLU A 6 5.993 -11.594 2.084 1.00 2.88 H new ATOM 94 N ASN A 7 10.245 -13.468 3.893 1.00 0.47 N ATOM 95 CA ASN A 7 11.295 -14.507 4.118 1.00 0.49 C ATOM 96 C ASN A 7 11.096 -15.652 3.133 1.00 0.46 C ATOM 97 O ASN A 7 10.479 -16.657 3.432 1.00 0.54 O ATOM 98 CB ASN A 7 11.188 -15.047 5.545 1.00 0.67 C ATOM 99 CG ASN A 7 9.824 -15.707 5.745 1.00 0.80 C ATOM 100 OD1 ASN A 7 8.844 -15.300 5.153 1.00 1.25 O ATOM 101 ND2 ASN A 7 9.720 -16.719 6.561 1.00 0.69 N ATOM 0 H ASN A 7 9.491 -13.470 4.580 1.00 0.47 H new ATOM 0 HA ASN A 7 12.279 -14.061 3.970 1.00 0.49 H new ATOM 0 HB2 ASN A 7 11.983 -15.769 5.731 1.00 0.67 H new ATOM 0 HB3 ASN A 7 11.319 -14.236 6.262 1.00 0.67 H new ATOM 0 HD21 ASN A 7 8.816 -17.169 6.702 1.00 0.69 H new ATOM 0 HD22 ASN A 7 10.543 -17.060 7.058 1.00 0.69 H new ATOM 108 N ARG A 8 11.600 -15.486 1.955 1.00 0.45 N ATOM 109 CA ARG A 8 11.442 -16.531 0.906 1.00 0.54 C ATOM 110 C ARG A 8 12.385 -17.714 1.121 1.00 0.51 C ATOM 111 O ARG A 8 12.012 -18.847 0.943 1.00 0.58 O ATOM 112 CB ARG A 8 11.798 -15.932 -0.448 1.00 0.70 C ATOM 113 CG ARG A 8 11.714 -17.031 -1.508 1.00 0.85 C ATOM 114 CD ARG A 8 10.735 -16.611 -2.603 1.00 0.79 C ATOM 115 NE ARG A 8 11.490 -16.037 -3.751 1.00 1.37 N ATOM 116 CZ ARG A 8 10.916 -15.180 -4.549 1.00 2.16 C ATOM 117 NH1 ARG A 8 10.338 -14.119 -4.059 1.00 2.45 N ATOM 118 NH2 ARG A 8 10.920 -15.386 -5.837 1.00 2.92 N ATOM 0 H ARG A 8 12.124 -14.661 1.663 1.00 0.45 H new ATOM 0 HA ARG A 8 10.410 -16.877 0.953 1.00 0.54 H new ATOM 0 HB2 ARG A 8 11.115 -15.118 -0.692 1.00 0.70 H new ATOM 0 HB3 ARG A 8 12.802 -15.508 -0.422 1.00 0.70 H new ATOM 0 HG2 ARG A 8 12.699 -17.213 -1.937 1.00 0.85 H new ATOM 0 HG3 ARG A 8 11.387 -17.966 -1.053 1.00 0.85 H new ATOM 0 HD2 ARG A 8 10.150 -17.470 -2.932 1.00 0.79 H new ATOM 0 HD3 ARG A 8 10.031 -15.876 -2.213 1.00 0.79 H new ATOM 0 HE ARG A 8 12.458 -16.315 -3.914 1.00 1.37 H new ATOM 0 HH11 ARG A 8 10.335 -13.959 -3.052 1.00 2.45 H new ATOM 0 HH12 ARG A 8 9.889 -13.449 -4.683 1.00 2.45 H new ATOM 0 HH21 ARG A 8 11.372 -16.217 -6.219 1.00 2.92 H new ATOM 0 HH22 ARG A 8 10.471 -14.716 -6.462 1.00 2.92 H new ATOM 132 N ARG A 9 13.616 -17.463 1.431 1.00 0.44 N ATOM 133 CA ARG A 9 14.589 -18.584 1.564 1.00 0.42 C ATOM 134 C ARG A 9 14.219 -19.571 2.672 1.00 0.38 C ATOM 135 O ARG A 9 14.611 -20.714 2.614 1.00 0.32 O ATOM 136 CB ARG A 9 15.977 -18.016 1.850 1.00 0.50 C ATOM 137 CG ARG A 9 16.918 -19.148 2.265 1.00 0.57 C ATOM 138 CD ARG A 9 18.354 -18.626 2.331 1.00 0.62 C ATOM 139 NE ARG A 9 19.166 -19.530 3.189 1.00 1.83 N ATOM 140 CZ ARG A 9 20.136 -20.228 2.667 1.00 0.87 C ATOM 141 NH1 ARG A 9 20.951 -19.673 1.811 1.00 0.78 N ATOM 142 NH2 ARG A 9 20.287 -21.482 2.993 1.00 1.11 N ATOM 0 H ARG A 9 13.998 -16.532 1.600 1.00 0.44 H new ATOM 0 HA ARG A 9 14.573 -19.132 0.622 1.00 0.42 H new ATOM 0 HB2 ARG A 9 16.365 -17.513 0.964 1.00 0.50 H new ATOM 0 HB3 ARG A 9 15.919 -17.269 2.641 1.00 0.50 H new ATOM 0 HG2 ARG A 9 16.620 -19.544 3.236 1.00 0.57 H new ATOM 0 HG3 ARG A 9 16.852 -19.969 1.551 1.00 0.57 H new ATOM 0 HD2 ARG A 9 18.781 -18.575 1.330 1.00 0.62 H new ATOM 0 HD3 ARG A 9 18.367 -17.614 2.735 1.00 0.62 H new ATOM 0 HE ARG A 9 18.964 -19.604 4.186 1.00 1.83 H new ATOM 0 HH11 ARG A 9 20.829 -18.694 1.551 1.00 0.78 H new ATOM 0 HH12 ARG A 9 21.710 -20.218 1.402 1.00 0.78 H new ATOM 0 HH21 ARG A 9 19.646 -21.917 3.657 1.00 1.11 H new ATOM 0 HH22 ARG A 9 21.046 -22.027 2.584 1.00 1.11 H new ATOM 156 N ALA A 10 13.526 -19.157 3.693 1.00 0.53 N ATOM 157 CA ALA A 10 13.211 -20.115 4.787 1.00 0.62 C ATOM 158 C ALA A 10 11.901 -20.851 4.542 1.00 0.81 C ATOM 159 O ALA A 10 11.823 -22.053 4.700 1.00 0.79 O ATOM 160 CB ALA A 10 13.135 -19.356 6.115 1.00 0.83 C ATOM 0 H ALA A 10 13.168 -18.210 3.818 1.00 0.53 H new ATOM 0 HA ALA A 10 14.005 -20.861 4.820 1.00 0.62 H new ATOM 0 HB1 ALA A 10 12.904 -20.054 6.920 1.00 0.83 H new ATOM 0 HB2 ALA A 10 14.093 -18.875 6.315 1.00 0.83 H new ATOM 0 HB3 ALA A 10 12.354 -18.598 6.057 1.00 0.83 H new ATOM 166 N ARG A 11 10.873 -20.165 4.155 1.00 1.01 N ATOM 167 CA ARG A 11 9.594 -20.874 3.911 1.00 1.23 C ATOM 168 C ARG A 11 9.744 -21.702 2.644 1.00 1.20 C ATOM 169 O ARG A 11 9.116 -22.728 2.475 1.00 1.32 O ATOM 170 CB ARG A 11 8.461 -19.862 3.731 1.00 1.43 C ATOM 171 CG ARG A 11 7.117 -20.546 3.997 1.00 1.55 C ATOM 172 CD ARG A 11 6.529 -20.023 5.308 1.00 1.14 C ATOM 173 NE ARG A 11 5.061 -19.828 5.151 1.00 0.49 N ATOM 174 CZ ARG A 11 4.242 -20.809 5.412 1.00 0.56 C ATOM 175 NH1 ARG A 11 4.482 -22.000 4.937 1.00 1.74 N ATOM 176 NH2 ARG A 11 3.186 -20.601 6.148 1.00 1.57 N ATOM 0 H ARG A 11 10.859 -19.157 3.998 1.00 1.01 H new ATOM 0 HA ARG A 11 9.356 -21.516 4.759 1.00 1.23 H new ATOM 0 HB2 ARG A 11 8.596 -19.024 4.415 1.00 1.43 H new ATOM 0 HB3 ARG A 11 8.480 -19.455 2.720 1.00 1.43 H new ATOM 0 HG2 ARG A 11 6.429 -20.352 3.174 1.00 1.55 H new ATOM 0 HG3 ARG A 11 7.251 -21.626 4.052 1.00 1.55 H new ATOM 0 HD2 ARG A 11 6.729 -20.728 6.115 1.00 1.14 H new ATOM 0 HD3 ARG A 11 7.004 -19.081 5.582 1.00 1.14 H new ATOM 0 HE ARG A 11 4.696 -18.928 4.840 1.00 0.49 H new ATOM 0 HH11 ARG A 11 5.309 -22.163 4.363 1.00 1.74 H new ATOM 0 HH12 ARG A 11 3.843 -22.768 5.140 1.00 1.74 H new ATOM 0 HH21 ARG A 11 2.999 -19.670 6.521 1.00 1.57 H new ATOM 0 HH22 ARG A 11 2.547 -21.369 6.351 1.00 1.57 H new ATOM 190 N HIS A 12 10.573 -21.253 1.747 1.00 1.08 N ATOM 191 CA HIS A 12 10.770 -22.005 0.479 1.00 1.13 C ATOM 192 C HIS A 12 11.991 -22.915 0.557 1.00 0.99 C ATOM 193 O HIS A 12 11.990 -24.008 0.028 1.00 1.10 O ATOM 194 CB HIS A 12 10.942 -21.039 -0.695 1.00 1.16 C ATOM 195 CG HIS A 12 9.599 -20.466 -1.070 1.00 0.91 C ATOM 196 ND1 HIS A 12 8.972 -19.482 -0.321 1.00 1.84 N ATOM 197 CD2 HIS A 12 8.747 -20.741 -2.113 1.00 2.32 C ATOM 198 CE1 HIS A 12 7.797 -19.204 -0.918 1.00 3.06 C ATOM 199 NE2 HIS A 12 7.612 -19.944 -2.014 1.00 3.23 N ATOM 0 H HIS A 12 11.123 -20.398 1.836 1.00 1.08 H new ATOM 0 HA HIS A 12 9.883 -22.619 0.324 1.00 1.13 H new ATOM 0 HB2 HIS A 12 11.629 -20.238 -0.424 1.00 1.16 H new ATOM 0 HB3 HIS A 12 11.379 -21.559 -1.547 1.00 1.16 H new ATOM 0 HD2 HIS A 12 8.931 -21.466 -2.892 1.00 2.32 H new ATOM 0 HE1 HIS A 12 7.091 -18.472 -0.555 1.00 3.06 H new ATOM 0 HE2 HIS A 12 6.810 -19.928 -2.644 1.00 3.23 H new ATOM 207 N ASP A 13 13.066 -22.443 1.130 1.00 0.77 N ATOM 208 CA ASP A 13 14.301 -23.272 1.123 1.00 0.69 C ATOM 209 C ASP A 13 14.757 -23.782 2.499 1.00 0.54 C ATOM 210 O ASP A 13 15.437 -24.787 2.552 1.00 0.68 O ATOM 211 CB ASP A 13 15.435 -22.458 0.496 1.00 0.62 C ATOM 212 CG ASP A 13 16.583 -23.395 0.114 1.00 1.15 C ATOM 213 OD1 ASP A 13 16.460 -24.584 0.360 1.00 0.95 O ATOM 214 OD2 ASP A 13 17.566 -22.906 -0.418 1.00 1.95 O ATOM 0 H ASP A 13 13.141 -21.537 1.593 1.00 0.77 H new ATOM 0 HA ASP A 13 14.057 -24.164 0.546 1.00 0.69 H new ATOM 0 HB2 ASP A 13 15.073 -21.930 -0.386 1.00 0.62 H new ATOM 0 HB3 ASP A 13 15.786 -21.702 1.198 1.00 0.62 H new ATOM 219 N TYR A 14 14.484 -23.147 3.615 1.00 0.40 N ATOM 220 CA TYR A 14 15.068 -23.763 4.850 1.00 0.35 C ATOM 221 C TYR A 14 14.345 -23.416 6.176 1.00 0.42 C ATOM 222 O TYR A 14 13.725 -22.382 6.325 1.00 0.45 O ATOM 223 CB TYR A 14 16.542 -23.335 4.943 1.00 0.30 C ATOM 224 CG TYR A 14 17.213 -24.253 5.910 1.00 0.31 C ATOM 225 CD1 TYR A 14 17.129 -23.952 7.257 1.00 0.38 C ATOM 226 CD2 TYR A 14 17.834 -25.440 5.484 1.00 0.29 C ATOM 227 CE1 TYR A 14 17.674 -24.828 8.201 1.00 0.41 C ATOM 228 CE2 TYR A 14 18.353 -26.325 6.427 1.00 0.31 C ATOM 229 CZ TYR A 14 18.275 -26.019 7.786 1.00 0.36 C ATOM 230 OH TYR A 14 18.763 -26.916 8.713 1.00 0.40 O ATOM 0 H TYR A 14 13.929 -22.298 3.726 1.00 0.40 H new ATOM 0 HA TYR A 14 14.947 -24.841 4.741 1.00 0.35 H new ATOM 0 HB2 TYR A 14 17.020 -23.391 3.965 1.00 0.30 H new ATOM 0 HB3 TYR A 14 16.621 -22.301 5.278 1.00 0.30 H new ATOM 0 HD1 TYR A 14 16.644 -23.043 7.579 1.00 0.38 H new ATOM 0 HD2 TYR A 14 17.909 -25.665 4.430 1.00 0.29 H new ATOM 0 HE1 TYR A 14 17.630 -24.584 9.252 1.00 0.41 H new ATOM 0 HE2 TYR A 14 18.815 -27.247 6.106 1.00 0.31 H new ATOM 0 HH TYR A 14 19.729 -27.021 8.589 1.00 0.40 H new ATOM 240 N GLU A 15 14.480 -24.313 7.154 1.00 0.44 N ATOM 241 CA GLU A 15 13.880 -24.126 8.529 1.00 0.49 C ATOM 242 C GLU A 15 14.849 -23.277 9.349 1.00 0.42 C ATOM 243 O GLU A 15 16.008 -23.534 9.391 1.00 0.37 O ATOM 244 CB GLU A 15 13.743 -25.488 9.203 1.00 0.60 C ATOM 245 CG GLU A 15 13.523 -25.289 10.703 1.00 0.64 C ATOM 246 CD GLU A 15 13.018 -26.592 11.324 1.00 0.59 C ATOM 247 OE1 GLU A 15 11.821 -26.823 11.277 1.00 0.99 O ATOM 248 OE2 GLU A 15 13.838 -27.338 11.832 1.00 0.42 O ATOM 0 H GLU A 15 14.996 -25.186 7.045 1.00 0.44 H new ATOM 0 HA GLU A 15 12.903 -23.648 8.457 1.00 0.49 H new ATOM 0 HB2 GLU A 15 12.907 -26.038 8.771 1.00 0.60 H new ATOM 0 HB3 GLU A 15 14.640 -26.084 9.031 1.00 0.60 H new ATOM 0 HG2 GLU A 15 14.454 -24.984 11.180 1.00 0.64 H new ATOM 0 HG3 GLU A 15 12.801 -24.490 10.872 1.00 0.64 H new ATOM 255 N ILE A 16 14.438 -22.238 9.957 1.00 0.44 N ATOM 256 CA ILE A 16 15.471 -21.410 10.631 1.00 0.36 C ATOM 257 C ILE A 16 15.869 -21.810 12.062 1.00 0.42 C ATOM 258 O ILE A 16 15.084 -21.883 12.986 1.00 0.49 O ATOM 259 CB ILE A 16 15.038 -19.973 10.505 1.00 0.29 C ATOM 260 CG1 ILE A 16 15.305 -19.577 9.044 1.00 0.26 C ATOM 261 CG2 ILE A 16 15.826 -19.079 11.461 1.00 0.26 C ATOM 262 CD1 ILE A 16 16.770 -19.845 8.681 1.00 0.26 C ATOM 0 H ILE A 16 13.472 -21.917 10.028 1.00 0.44 H new ATOM 0 HA ILE A 16 16.416 -21.588 10.118 1.00 0.36 H new ATOM 0 HB ILE A 16 13.986 -19.853 10.765 1.00 0.29 H new ATOM 0 HG12 ILE A 16 14.650 -20.142 8.381 1.00 0.26 H new ATOM 0 HG13 ILE A 16 15.074 -18.522 8.898 1.00 0.26 H new ATOM 0 HG21 ILE A 16 15.494 -18.047 11.350 1.00 0.26 H new ATOM 0 HG22 ILE A 16 15.658 -19.406 12.487 1.00 0.26 H new ATOM 0 HG23 ILE A 16 16.889 -19.146 11.229 1.00 0.26 H new ATOM 0 HD11 ILE A 16 16.946 -19.560 7.644 1.00 0.26 H new ATOM 0 HD12 ILE A 16 17.419 -19.260 9.333 1.00 0.26 H new ATOM 0 HD13 ILE A 16 16.988 -20.905 8.808 1.00 0.26 H new ATOM 274 N LEU A 17 17.158 -22.048 12.177 1.00 0.41 N ATOM 275 CA LEU A 17 17.862 -22.442 13.433 1.00 0.48 C ATOM 276 C LEU A 17 17.971 -21.271 14.450 1.00 0.43 C ATOM 277 O LEU A 17 17.347 -21.287 15.492 1.00 0.45 O ATOM 278 CB LEU A 17 19.275 -22.808 12.971 1.00 0.53 C ATOM 279 CG LEU A 17 19.854 -23.997 13.712 1.00 0.50 C ATOM 280 CD1 LEU A 17 21.269 -24.219 13.160 1.00 0.53 C ATOM 281 CD2 LEU A 17 19.918 -23.687 15.210 1.00 0.48 C ATOM 0 H LEU A 17 17.792 -21.976 11.381 1.00 0.41 H new ATOM 0 HA LEU A 17 17.324 -23.245 13.938 1.00 0.48 H new ATOM 0 HB2 LEU A 17 19.256 -23.027 11.903 1.00 0.53 H new ATOM 0 HB3 LEU A 17 19.930 -21.948 13.109 1.00 0.53 H new ATOM 0 HG LEU A 17 19.239 -24.887 13.575 1.00 0.50 H new ATOM 0 HD11 LEU A 17 21.728 -25.069 13.666 1.00 0.53 H new ATOM 0 HD12 LEU A 17 21.215 -24.420 12.090 1.00 0.53 H new ATOM 0 HD13 LEU A 17 21.871 -23.326 13.332 1.00 0.53 H new ATOM 0 HD21 LEU A 17 20.334 -24.543 15.741 1.00 0.48 H new ATOM 0 HD22 LEU A 17 20.551 -22.815 15.374 1.00 0.48 H new ATOM 0 HD23 LEU A 17 18.914 -23.482 15.582 1.00 0.48 H new ATOM 293 N GLU A 18 18.803 -20.278 14.166 1.00 0.39 N ATOM 294 CA GLU A 18 19.003 -19.130 15.133 1.00 0.38 C ATOM 295 C GLU A 18 18.397 -17.833 14.557 1.00 0.31 C ATOM 296 O GLU A 18 18.506 -17.562 13.388 1.00 0.28 O ATOM 297 CB GLU A 18 20.513 -18.956 15.404 1.00 0.44 C ATOM 298 CG GLU A 18 20.712 -18.457 16.834 1.00 0.35 C ATOM 299 CD GLU A 18 20.382 -19.583 17.816 1.00 0.27 C ATOM 300 OE1 GLU A 18 20.477 -20.734 17.423 1.00 0.44 O ATOM 301 OE2 GLU A 18 20.037 -19.274 18.945 1.00 0.53 O ATOM 0 H GLU A 18 19.351 -20.214 13.308 1.00 0.39 H new ATOM 0 HA GLU A 18 18.494 -19.349 16.072 1.00 0.38 H new ATOM 0 HB2 GLU A 18 21.032 -19.904 15.261 1.00 0.44 H new ATOM 0 HB3 GLU A 18 20.943 -18.248 14.696 1.00 0.44 H new ATOM 0 HG2 GLU A 18 21.741 -18.126 16.976 1.00 0.35 H new ATOM 0 HG3 GLU A 18 20.071 -17.596 17.023 1.00 0.35 H new ATOM 308 N THR A 19 17.724 -17.040 15.363 1.00 0.31 N ATOM 309 CA THR A 19 17.081 -15.795 14.815 1.00 0.29 C ATOM 310 C THR A 19 17.346 -14.549 15.686 1.00 0.31 C ATOM 311 O THR A 19 17.585 -14.643 16.875 1.00 0.35 O ATOM 312 CB THR A 19 15.569 -16.031 14.738 1.00 0.28 C ATOM 313 OG1 THR A 19 14.918 -15.251 15.733 1.00 0.52 O ATOM 314 CG2 THR A 19 15.268 -17.515 14.975 1.00 1.02 C ATOM 0 H THR A 19 17.593 -17.196 16.362 1.00 0.31 H new ATOM 0 HA THR A 19 17.514 -15.601 13.834 1.00 0.29 H new ATOM 0 HB THR A 19 15.206 -15.741 13.752 1.00 0.28 H new ATOM 0 HG1 THR A 19 13.951 -15.400 15.684 1.00 0.52 H new ATOM 0 HG21 THR A 19 14.192 -17.681 14.920 1.00 1.02 H new ATOM 0 HG22 THR A 19 15.767 -18.114 14.213 1.00 1.02 H new ATOM 0 HG23 THR A 19 15.630 -17.807 15.961 1.00 1.02 H new ATOM 322 N TYR A 20 17.245 -13.375 15.097 1.00 0.31 N ATOM 323 CA TYR A 20 17.417 -12.097 15.868 1.00 0.32 C ATOM 324 C TYR A 20 16.429 -11.071 15.368 1.00 0.33 C ATOM 325 O TYR A 20 15.908 -11.156 14.275 1.00 0.40 O ATOM 326 CB TYR A 20 18.858 -11.533 15.850 1.00 0.47 C ATOM 327 CG TYR A 20 19.362 -11.096 14.479 1.00 0.56 C ATOM 328 CD1 TYR A 20 18.578 -10.335 13.587 1.00 0.59 C ATOM 329 CD2 TYR A 20 20.663 -11.458 14.115 1.00 0.66 C ATOM 330 CE1 TYR A 20 19.113 -9.947 12.339 1.00 0.72 C ATOM 331 CE2 TYR A 20 21.187 -11.077 12.881 1.00 0.76 C ATOM 332 CZ TYR A 20 20.414 -10.323 11.992 1.00 0.79 C ATOM 333 OH TYR A 20 20.940 -9.944 10.776 1.00 0.93 O ATOM 0 H TYR A 20 17.049 -13.248 14.104 1.00 0.31 H new ATOM 0 HA TYR A 20 17.219 -12.333 16.913 1.00 0.32 H new ATOM 0 HB2 TYR A 20 18.907 -10.680 16.527 1.00 0.47 H new ATOM 0 HB3 TYR A 20 19.534 -12.292 16.244 1.00 0.47 H new ATOM 0 HD1 TYR A 20 17.572 -10.050 13.857 1.00 0.59 H new ATOM 0 HD2 TYR A 20 21.267 -12.038 14.797 1.00 0.66 H new ATOM 0 HE1 TYR A 20 18.518 -9.361 11.654 1.00 0.72 H new ATOM 0 HE2 TYR A 20 22.192 -11.365 12.611 1.00 0.76 H new ATOM 0 HH TYR A 20 21.586 -10.617 10.475 1.00 0.93 H new ATOM 343 N GLU A 21 16.136 -10.129 16.192 1.00 0.30 N ATOM 344 CA GLU A 21 15.149 -9.096 15.833 1.00 0.42 C ATOM 345 C GLU A 21 15.842 -7.734 15.736 1.00 0.50 C ATOM 346 O GLU A 21 16.637 -7.371 16.579 1.00 0.91 O ATOM 347 CB GLU A 21 14.115 -9.101 16.942 1.00 0.38 C ATOM 348 CG GLU A 21 12.710 -9.172 16.340 1.00 0.52 C ATOM 349 CD GLU A 21 11.952 -10.352 16.949 1.00 1.10 C ATOM 350 OE1 GLU A 21 12.441 -11.466 16.846 1.00 1.53 O ATOM 351 OE2 GLU A 21 10.891 -10.123 17.507 1.00 1.63 O ATOM 0 H GLU A 21 16.546 -10.026 17.120 1.00 0.30 H new ATOM 0 HA GLU A 21 14.682 -9.292 14.868 1.00 0.42 H new ATOM 0 HB2 GLU A 21 14.281 -9.952 17.603 1.00 0.38 H new ATOM 0 HB3 GLU A 21 14.215 -8.202 17.549 1.00 0.38 H new ATOM 0 HG2 GLU A 21 12.173 -8.243 16.533 1.00 0.52 H new ATOM 0 HG3 GLU A 21 12.772 -9.286 15.258 1.00 0.52 H new ATOM 358 N ALA A 22 15.563 -6.985 14.703 1.00 0.16 N ATOM 359 CA ALA A 22 16.223 -5.660 14.546 1.00 0.19 C ATOM 360 C ALA A 22 15.178 -4.553 14.446 1.00 0.29 C ATOM 361 O ALA A 22 14.004 -4.797 14.247 1.00 0.36 O ATOM 362 CB ALA A 22 17.071 -5.657 13.274 1.00 0.19 C ATOM 0 H ALA A 22 14.907 -7.234 13.963 1.00 0.16 H new ATOM 0 HA ALA A 22 16.854 -5.481 15.417 1.00 0.19 H new ATOM 0 HB1 ALA A 22 17.553 -4.686 13.161 1.00 0.19 H new ATOM 0 HB2 ALA A 22 17.832 -6.435 13.342 1.00 0.19 H new ATOM 0 HB3 ALA A 22 16.433 -5.848 12.411 1.00 0.19 H new ATOM 368 N GLY A 23 15.611 -3.331 14.564 1.00 0.38 N ATOM 369 CA GLY A 23 14.676 -2.184 14.453 1.00 0.54 C ATOM 370 C GLY A 23 15.168 -1.325 13.301 1.00 0.43 C ATOM 371 O GLY A 23 16.064 -0.517 13.452 1.00 0.39 O ATOM 0 H GLY A 23 16.584 -3.077 14.735 1.00 0.38 H new ATOM 0 HA2 GLY A 23 13.659 -2.531 14.269 1.00 0.54 H new ATOM 0 HA3 GLY A 23 14.655 -1.612 15.380 1.00 0.54 H new ATOM 375 N ILE A 24 14.633 -1.528 12.134 1.00 0.40 N ATOM 376 CA ILE A 24 15.132 -0.759 10.956 1.00 0.28 C ATOM 377 C ILE A 24 14.227 0.439 10.698 1.00 0.24 C ATOM 378 O ILE A 24 13.033 0.317 10.558 1.00 0.42 O ATOM 379 CB ILE A 24 15.136 -1.672 9.734 1.00 0.32 C ATOM 380 CG1 ILE A 24 16.252 -2.707 9.855 1.00 0.34 C ATOM 381 CG2 ILE A 24 15.385 -0.838 8.485 1.00 0.26 C ATOM 382 CD1 ILE A 24 16.593 -2.908 11.322 1.00 0.42 C ATOM 0 H ILE A 24 13.878 -2.186 11.941 1.00 0.40 H new ATOM 0 HA ILE A 24 16.143 -0.402 11.154 1.00 0.28 H new ATOM 0 HB ILE A 24 14.173 -2.178 9.669 1.00 0.32 H new ATOM 0 HG12 ILE A 24 15.938 -3.651 9.410 1.00 0.34 H new ATOM 0 HG13 ILE A 24 17.134 -2.374 9.307 1.00 0.34 H new ATOM 0 HG21 ILE A 24 15.389 -1.487 7.609 1.00 0.26 H new ATOM 0 HG22 ILE A 24 14.596 -0.093 8.382 1.00 0.26 H new ATOM 0 HG23 ILE A 24 16.349 -0.336 8.569 1.00 0.26 H new ATOM 0 HD11 ILE A 24 17.390 -3.646 11.413 1.00 0.42 H new ATOM 0 HD12 ILE A 24 16.924 -1.962 11.751 1.00 0.42 H new ATOM 0 HD13 ILE A 24 15.710 -3.259 11.856 1.00 0.42 H new ATOM 394 N ALA A 25 14.793 1.604 10.640 1.00 0.30 N ATOM 395 CA ALA A 25 13.944 2.812 10.385 1.00 0.35 C ATOM 396 C ALA A 25 13.982 3.195 8.915 1.00 0.39 C ATOM 397 O ALA A 25 14.859 2.832 8.156 1.00 0.39 O ATOM 398 CB ALA A 25 14.391 4.025 11.191 1.00 0.48 C ATOM 0 H ALA A 25 15.791 1.781 10.755 1.00 0.30 H new ATOM 0 HA ALA A 25 12.935 2.536 10.691 1.00 0.35 H new ATOM 0 HB1 ALA A 25 13.741 4.871 10.967 1.00 0.48 H new ATOM 0 HB2 ALA A 25 14.334 3.796 12.255 1.00 0.48 H new ATOM 0 HB3 ALA A 25 15.418 4.278 10.929 1.00 0.48 H new ATOM 404 N LEU A 26 12.998 3.934 8.553 1.00 0.39 N ATOM 405 CA LEU A 26 12.821 4.428 7.158 1.00 0.38 C ATOM 406 C LEU A 26 12.903 5.946 7.113 1.00 0.43 C ATOM 407 O LEU A 26 12.573 6.627 8.064 1.00 0.49 O ATOM 408 CB LEU A 26 11.425 4.048 6.684 1.00 0.21 C ATOM 409 CG LEU A 26 10.533 3.936 7.916 1.00 0.29 C ATOM 410 CD1 LEU A 26 10.459 5.298 8.628 1.00 2.73 C ATOM 411 CD2 LEU A 26 9.149 3.507 7.479 1.00 2.41 C ATOM 0 H LEU A 26 12.264 4.239 9.192 1.00 0.39 H new ATOM 0 HA LEU A 26 13.601 3.991 6.534 1.00 0.38 H new ATOM 0 HB2 LEU A 26 11.036 4.800 5.997 1.00 0.21 H new ATOM 0 HB3 LEU A 26 11.449 3.103 6.142 1.00 0.21 H new ATOM 0 HG LEU A 26 10.945 3.200 8.607 1.00 0.29 H new ATOM 0 HD11 LEU A 26 9.821 5.214 9.508 1.00 2.73 H new ATOM 0 HD12 LEU A 26 11.460 5.604 8.933 1.00 2.73 H new ATOM 0 HD13 LEU A 26 10.044 6.042 7.948 1.00 2.73 H new ATOM 0 HD21 LEU A 26 8.501 3.423 8.352 1.00 2.41 H new ATOM 0 HD22 LEU A 26 8.739 4.247 6.792 1.00 2.41 H new ATOM 0 HD23 LEU A 26 9.209 2.541 6.978 1.00 2.41 H new ATOM 423 N LYS A 27 13.262 6.483 5.991 1.00 0.43 N ATOM 424 CA LYS A 27 13.274 7.955 5.857 1.00 0.47 C ATOM 425 C LYS A 27 11.814 8.367 5.620 1.00 0.37 C ATOM 426 O LYS A 27 10.923 7.544 5.714 1.00 0.29 O ATOM 427 CB LYS A 27 14.153 8.373 4.675 1.00 0.49 C ATOM 428 CG LYS A 27 14.931 9.636 5.047 1.00 0.57 C ATOM 429 CD LYS A 27 15.778 10.083 3.855 1.00 0.58 C ATOM 430 CE LYS A 27 15.668 11.601 3.691 1.00 1.81 C ATOM 431 NZ LYS A 27 16.941 12.240 4.126 1.00 2.60 N ATOM 0 H LYS A 27 13.548 5.966 5.160 1.00 0.43 H new ATOM 0 HA LYS A 27 13.683 8.438 6.745 1.00 0.47 H new ATOM 0 HB2 LYS A 27 14.843 7.569 4.418 1.00 0.49 H new ATOM 0 HB3 LYS A 27 13.536 8.557 3.795 1.00 0.49 H new ATOM 0 HG2 LYS A 27 14.241 10.429 5.334 1.00 0.57 H new ATOM 0 HG3 LYS A 27 15.570 9.442 5.908 1.00 0.57 H new ATOM 0 HD2 LYS A 27 16.819 9.798 4.007 1.00 0.58 H new ATOM 0 HD3 LYS A 27 15.440 9.583 2.947 1.00 0.58 H new ATOM 0 HE2 LYS A 27 15.460 11.851 2.651 1.00 1.81 H new ATOM 0 HE3 LYS A 27 14.836 11.982 4.283 1.00 1.81 H new ATOM 0 HZ1 LYS A 27 16.867 13.271 4.015 1.00 2.60 H new ATOM 0 HZ2 LYS A 27 17.121 12.011 5.124 1.00 2.60 H new ATOM 0 HZ3 LYS A 27 17.725 11.884 3.543 1.00 2.60 H new ATOM 445 N GLY A 28 11.531 9.612 5.374 1.00 0.40 N ATOM 446 CA GLY A 28 10.100 10.015 5.211 1.00 0.38 C ATOM 447 C GLY A 28 9.437 9.387 3.985 1.00 0.24 C ATOM 448 O GLY A 28 8.336 8.881 4.066 1.00 0.29 O ATOM 0 H GLY A 28 12.214 10.363 5.279 1.00 0.40 H new ATOM 0 HA2 GLY A 28 9.544 9.729 6.104 1.00 0.38 H new ATOM 0 HA3 GLY A 28 10.041 11.101 5.133 1.00 0.38 H new ATOM 452 N THR A 29 10.077 9.399 2.862 1.00 0.13 N ATOM 453 CA THR A 29 9.461 8.787 1.661 1.00 0.11 C ATOM 454 C THR A 29 9.835 7.331 1.615 1.00 0.14 C ATOM 455 O THR A 29 9.328 6.573 0.811 1.00 0.24 O ATOM 456 CB THR A 29 9.930 9.440 0.373 1.00 0.20 C ATOM 457 OG1 THR A 29 11.310 9.163 0.173 1.00 0.42 O ATOM 458 CG2 THR A 29 9.707 10.952 0.434 1.00 0.20 C ATOM 0 H THR A 29 11.002 9.806 2.720 1.00 0.13 H new ATOM 0 HA THR A 29 8.383 8.926 1.737 1.00 0.11 H new ATOM 0 HB THR A 29 9.355 9.035 -0.460 1.00 0.20 H new ATOM 0 HG1 THR A 29 11.611 9.584 -0.659 1.00 0.42 H new ATOM 0 HG21 THR A 29 10.048 11.408 -0.496 1.00 0.20 H new ATOM 0 HG22 THR A 29 8.646 11.158 0.572 1.00 0.20 H new ATOM 0 HG23 THR A 29 10.269 11.369 1.270 1.00 0.20 H new ATOM 466 N GLU A 30 10.730 6.920 2.455 1.00 0.15 N ATOM 467 CA GLU A 30 11.116 5.505 2.413 1.00 0.24 C ATOM 468 C GLU A 30 9.859 4.718 2.598 1.00 0.16 C ATOM 469 O GLU A 30 9.717 3.658 2.090 1.00 0.25 O ATOM 470 CB GLU A 30 12.116 5.191 3.518 1.00 0.32 C ATOM 471 CG GLU A 30 13.531 5.478 3.002 1.00 0.39 C ATOM 472 CD GLU A 30 14.507 4.452 3.580 1.00 0.30 C ATOM 473 OE1 GLU A 30 14.065 3.365 3.911 1.00 1.19 O ATOM 474 OE2 GLU A 30 15.681 4.770 3.682 1.00 1.16 O ATOM 0 H GLU A 30 11.201 7.494 3.155 1.00 0.15 H new ATOM 0 HA GLU A 30 11.598 5.256 1.468 1.00 0.24 H new ATOM 0 HB2 GLU A 30 11.906 5.796 4.400 1.00 0.32 H new ATOM 0 HB3 GLU A 30 12.029 4.147 3.820 1.00 0.32 H new ATOM 0 HG2 GLU A 30 13.547 5.436 1.913 1.00 0.39 H new ATOM 0 HG3 GLU A 30 13.835 6.485 3.287 1.00 0.39 H new ATOM 481 N VAL A 31 8.936 5.220 3.331 1.00 0.07 N ATOM 482 CA VAL A 31 7.704 4.424 3.536 1.00 0.19 C ATOM 483 C VAL A 31 6.952 4.107 2.238 1.00 0.27 C ATOM 484 O VAL A 31 6.356 3.057 2.146 1.00 0.42 O ATOM 485 CB VAL A 31 6.796 5.098 4.537 1.00 0.31 C ATOM 486 CG1 VAL A 31 5.336 4.838 4.168 1.00 0.43 C ATOM 487 CG2 VAL A 31 7.110 4.477 5.890 1.00 0.34 C ATOM 0 H VAL A 31 8.968 6.128 3.794 1.00 0.07 H new ATOM 0 HA VAL A 31 8.026 3.462 3.935 1.00 0.19 H new ATOM 0 HB VAL A 31 6.952 6.177 4.553 1.00 0.31 H new ATOM 0 HG11 VAL A 31 4.685 5.326 4.893 1.00 0.43 H new ATOM 0 HG12 VAL A 31 5.135 5.237 3.174 1.00 0.43 H new ATOM 0 HG13 VAL A 31 5.145 3.765 4.174 1.00 0.43 H new ATOM 0 HG21 VAL A 31 6.478 4.930 6.654 1.00 0.34 H new ATOM 0 HG22 VAL A 31 6.919 3.405 5.851 1.00 0.34 H new ATOM 0 HG23 VAL A 31 8.158 4.651 6.136 1.00 0.34 H new ATOM 497 N LYS A 32 6.920 4.936 1.224 1.00 0.26 N ATOM 498 CA LYS A 32 6.142 4.459 0.036 1.00 0.47 C ATOM 499 C LYS A 32 6.889 3.311 -0.633 1.00 0.61 C ATOM 500 O LYS A 32 6.342 2.277 -0.885 1.00 0.78 O ATOM 501 CB LYS A 32 5.946 5.544 -1.009 1.00 0.53 C ATOM 502 CG LYS A 32 4.864 6.523 -0.549 1.00 0.56 C ATOM 503 CD LYS A 32 5.369 7.956 -0.709 1.00 0.66 C ATOM 504 CE LYS A 32 5.481 8.608 0.668 1.00 0.52 C ATOM 505 NZ LYS A 32 4.120 8.965 1.155 1.00 0.74 N ATOM 0 H LYS A 32 7.361 5.854 1.161 1.00 0.26 H new ATOM 0 HA LYS A 32 5.165 4.149 0.406 1.00 0.47 H new ATOM 0 HB2 LYS A 32 6.883 6.076 -1.173 1.00 0.53 H new ATOM 0 HB3 LYS A 32 5.662 5.096 -1.961 1.00 0.53 H new ATOM 0 HG2 LYS A 32 3.956 6.379 -1.135 1.00 0.56 H new ATOM 0 HG3 LYS A 32 4.605 6.332 0.492 1.00 0.56 H new ATOM 0 HD2 LYS A 32 6.339 7.959 -1.205 1.00 0.66 H new ATOM 0 HD3 LYS A 32 4.687 8.526 -1.340 1.00 0.66 H new ATOM 0 HE2 LYS A 32 5.963 7.926 1.368 1.00 0.52 H new ATOM 0 HE3 LYS A 32 6.105 9.500 0.611 1.00 0.52 H new ATOM 0 HZ1 LYS A 32 4.192 9.409 2.093 1.00 0.74 H new ATOM 0 HZ2 LYS A 32 3.677 9.630 0.490 1.00 0.74 H new ATOM 0 HZ3 LYS A 32 3.539 8.105 1.223 1.00 0.74 H new ATOM 519 N SER A 33 8.141 3.507 -0.914 1.00 0.59 N ATOM 520 CA SER A 33 8.974 2.456 -1.569 1.00 0.72 C ATOM 521 C SER A 33 9.258 1.332 -0.587 1.00 0.58 C ATOM 522 O SER A 33 9.381 0.185 -0.946 1.00 0.67 O ATOM 523 CB SER A 33 10.295 3.066 -2.032 1.00 0.81 C ATOM 524 OG SER A 33 10.056 3.909 -3.151 1.00 1.14 O ATOM 0 H SER A 33 8.640 4.374 -0.713 1.00 0.59 H new ATOM 0 HA SER A 33 8.432 2.057 -2.427 1.00 0.72 H new ATOM 0 HB2 SER A 33 10.749 3.637 -1.222 1.00 0.81 H new ATOM 0 HB3 SER A 33 10.999 2.278 -2.300 1.00 0.81 H new ATOM 0 HG SER A 33 10.902 4.304 -3.450 1.00 1.14 H new ATOM 530 N LEU A 34 9.402 1.675 0.650 1.00 0.38 N ATOM 531 CA LEU A 34 9.714 0.654 1.681 1.00 0.31 C ATOM 532 C LEU A 34 8.494 -0.225 1.867 1.00 0.38 C ATOM 533 O LEU A 34 8.577 -1.415 1.757 1.00 0.46 O ATOM 534 CB LEU A 34 10.126 1.313 3.012 1.00 0.29 C ATOM 535 CG LEU A 34 11.176 0.423 3.662 1.00 0.36 C ATOM 536 CD1 LEU A 34 10.677 -1.024 3.670 1.00 0.93 C ATOM 537 CD2 LEU A 34 12.475 0.513 2.860 1.00 0.44 C ATOM 0 H LEU A 34 9.317 2.629 1.000 1.00 0.38 H new ATOM 0 HA LEU A 34 10.559 0.049 1.352 1.00 0.31 H new ATOM 0 HB2 LEU A 34 10.526 2.312 2.837 1.00 0.29 H new ATOM 0 HB3 LEU A 34 9.262 1.426 3.667 1.00 0.29 H new ATOM 0 HG LEU A 34 11.356 0.750 4.686 1.00 0.36 H new ATOM 0 HD11 LEU A 34 11.426 -1.665 4.135 1.00 0.93 H new ATOM 0 HD12 LEU A 34 9.747 -1.085 4.235 1.00 0.93 H new ATOM 0 HD13 LEU A 34 10.502 -1.354 2.646 1.00 0.93 H new ATOM 0 HD21 LEU A 34 13.232 -0.122 3.320 1.00 0.44 H new ATOM 0 HD22 LEU A 34 12.295 0.181 1.838 1.00 0.44 H new ATOM 0 HD23 LEU A 34 12.825 1.545 2.850 1.00 0.44 H new ATOM 549 N ARG A 35 7.356 0.354 2.092 1.00 0.38 N ATOM 550 CA ARG A 35 6.125 -0.470 2.221 1.00 0.48 C ATOM 551 C ARG A 35 5.749 -0.953 0.822 1.00 0.58 C ATOM 552 O ARG A 35 5.068 -1.944 0.648 1.00 0.66 O ATOM 553 CB ARG A 35 4.982 0.369 2.798 1.00 0.53 C ATOM 554 CG ARG A 35 3.943 -0.562 3.427 1.00 0.70 C ATOM 555 CD ARG A 35 3.035 0.233 4.365 1.00 1.31 C ATOM 556 NE ARG A 35 1.752 -0.502 4.541 1.00 1.38 N ATOM 557 CZ ARG A 35 0.695 -0.136 3.870 1.00 1.00 C ATOM 558 NH1 ARG A 35 0.469 -0.639 2.687 1.00 1.66 N ATOM 559 NH2 ARG A 35 -0.131 0.737 4.378 1.00 0.22 N ATOM 0 H ARG A 35 7.221 1.360 2.193 1.00 0.38 H new ATOM 0 HA ARG A 35 6.302 -1.311 2.891 1.00 0.48 H new ATOM 0 HB2 ARG A 35 5.366 1.063 3.546 1.00 0.53 H new ATOM 0 HB3 ARG A 35 4.522 0.969 2.012 1.00 0.53 H new ATOM 0 HG2 ARG A 35 3.348 -1.038 2.647 1.00 0.70 H new ATOM 0 HG3 ARG A 35 4.442 -1.359 3.978 1.00 0.70 H new ATOM 0 HD2 ARG A 35 3.523 0.374 5.330 1.00 1.31 H new ATOM 0 HD3 ARG A 35 2.847 1.225 3.954 1.00 1.31 H new ATOM 0 HE ARG A 35 1.700 -1.291 5.186 1.00 1.38 H new ATOM 0 HH11 ARG A 35 1.118 -1.317 2.289 1.00 1.66 H new ATOM 0 HH12 ARG A 35 -0.357 -0.354 2.161 1.00 1.66 H new ATOM 0 HH21 ARG A 35 0.050 1.134 5.300 1.00 0.22 H new ATOM 0 HH22 ARG A 35 -0.957 1.023 3.853 1.00 0.22 H new ATOM 573 N ALA A 36 6.207 -0.246 -0.179 1.00 0.58 N ATOM 574 CA ALA A 36 5.909 -0.632 -1.594 1.00 0.65 C ATOM 575 C ALA A 36 7.196 -1.169 -2.220 1.00 0.67 C ATOM 576 O ALA A 36 7.430 -1.014 -3.403 1.00 0.65 O ATOM 577 CB ALA A 36 5.423 0.597 -2.388 1.00 0.65 C ATOM 0 H ALA A 36 6.781 0.591 -0.077 1.00 0.58 H new ATOM 0 HA ALA A 36 5.127 -1.391 -1.617 1.00 0.65 H new ATOM 0 HB1 ALA A 36 5.209 0.305 -3.416 1.00 0.65 H new ATOM 0 HB2 ALA A 36 4.518 0.993 -1.928 1.00 0.65 H new ATOM 0 HB3 ALA A 36 6.198 1.363 -2.383 1.00 0.65 H new ATOM 583 N GLY A 37 8.078 -1.722 -1.422 1.00 0.67 N ATOM 584 CA GLY A 37 9.389 -2.163 -1.980 1.00 0.64 C ATOM 585 C GLY A 37 9.520 -3.670 -2.133 1.00 0.60 C ATOM 586 O GLY A 37 8.978 -4.452 -1.376 1.00 0.61 O ATOM 0 H GLY A 37 7.948 -1.884 -0.423 1.00 0.67 H new ATOM 0 HA2 GLY A 37 9.534 -1.695 -2.954 1.00 0.64 H new ATOM 0 HA3 GLY A 37 10.188 -1.803 -1.332 1.00 0.64 H new ATOM 590 N LYS A 38 10.313 -4.058 -3.091 1.00 0.56 N ATOM 591 CA LYS A 38 10.601 -5.490 -3.312 1.00 0.52 C ATOM 592 C LYS A 38 12.110 -5.661 -3.135 1.00 0.42 C ATOM 593 O LYS A 38 12.898 -5.131 -3.896 1.00 0.40 O ATOM 594 CB LYS A 38 10.192 -5.902 -4.730 1.00 0.55 C ATOM 595 CG LYS A 38 9.823 -7.388 -4.741 1.00 0.57 C ATOM 596 CD LYS A 38 8.897 -7.679 -5.923 1.00 0.80 C ATOM 597 CE LYS A 38 7.546 -8.173 -5.400 1.00 0.98 C ATOM 598 NZ LYS A 38 6.535 -7.086 -5.530 1.00 1.70 N ATOM 0 H LYS A 38 10.780 -3.425 -3.740 1.00 0.56 H new ATOM 0 HA LYS A 38 10.045 -6.114 -2.612 1.00 0.52 H new ATOM 0 HB2 LYS A 38 9.345 -5.303 -5.065 1.00 0.55 H new ATOM 0 HB3 LYS A 38 11.010 -5.714 -5.425 1.00 0.55 H new ATOM 0 HG2 LYS A 38 10.725 -7.996 -4.814 1.00 0.57 H new ATOM 0 HG3 LYS A 38 9.332 -7.658 -3.806 1.00 0.57 H new ATOM 0 HD2 LYS A 38 8.760 -6.779 -6.522 1.00 0.80 H new ATOM 0 HD3 LYS A 38 9.345 -8.430 -6.574 1.00 0.80 H new ATOM 0 HE2 LYS A 38 7.226 -9.051 -5.961 1.00 0.98 H new ATOM 0 HE3 LYS A 38 7.637 -8.477 -4.357 1.00 0.98 H new ATOM 0 HZ1 LYS A 38 5.617 -7.421 -5.175 1.00 1.70 H new ATOM 0 HZ2 LYS A 38 6.840 -6.260 -4.976 1.00 1.70 H new ATOM 0 HZ3 LYS A 38 6.442 -6.817 -6.530 1.00 1.70 H new ATOM 612 N VAL A 39 12.522 -6.383 -2.139 1.00 0.38 N ATOM 613 CA VAL A 39 13.980 -6.578 -1.910 1.00 0.34 C ATOM 614 C VAL A 39 14.268 -8.064 -2.030 1.00 0.46 C ATOM 615 O VAL A 39 13.402 -8.881 -1.788 1.00 0.59 O ATOM 616 CB VAL A 39 14.357 -6.090 -0.501 1.00 0.37 C ATOM 617 CG1 VAL A 39 15.863 -6.256 -0.278 1.00 2.52 C ATOM 618 CG2 VAL A 39 13.989 -4.610 -0.353 1.00 2.65 C ATOM 0 H VAL A 39 11.912 -6.850 -1.468 1.00 0.38 H new ATOM 0 HA VAL A 39 14.561 -6.012 -2.639 1.00 0.34 H new ATOM 0 HB VAL A 39 13.812 -6.681 0.236 1.00 0.37 H new ATOM 0 HG11 VAL A 39 16.123 -5.908 0.722 1.00 2.52 H new ATOM 0 HG12 VAL A 39 16.132 -7.308 -0.378 1.00 2.52 H new ATOM 0 HG13 VAL A 39 16.407 -5.670 -1.019 1.00 2.52 H new ATOM 0 HG21 VAL A 39 14.257 -4.267 0.646 1.00 2.65 H new ATOM 0 HG22 VAL A 39 14.531 -4.024 -1.096 1.00 2.65 H new ATOM 0 HG23 VAL A 39 12.917 -4.485 -0.504 1.00 2.65 H new ATOM 628 N ASP A 40 15.452 -8.446 -2.405 1.00 0.37 N ATOM 629 CA ASP A 40 15.698 -9.903 -2.523 1.00 0.45 C ATOM 630 C ASP A 40 16.103 -10.458 -1.158 1.00 0.51 C ATOM 631 O ASP A 40 17.205 -10.246 -0.691 1.00 0.48 O ATOM 632 CB ASP A 40 16.820 -10.154 -3.534 1.00 0.32 C ATOM 633 CG ASP A 40 16.793 -11.618 -3.975 1.00 0.94 C ATOM 634 OD1 ASP A 40 15.771 -12.255 -3.784 1.00 1.45 O ATOM 635 OD2 ASP A 40 17.796 -12.078 -4.497 1.00 0.98 O ATOM 0 H ASP A 40 16.237 -7.835 -2.629 1.00 0.37 H new ATOM 0 HA ASP A 40 14.790 -10.400 -2.864 1.00 0.45 H new ATOM 0 HB2 ASP A 40 16.698 -9.501 -4.398 1.00 0.32 H new ATOM 0 HB3 ASP A 40 17.786 -9.915 -3.088 1.00 0.32 H new ATOM 640 N PHE A 41 15.227 -11.196 -0.527 1.00 0.62 N ATOM 641 CA PHE A 41 15.578 -11.795 0.786 1.00 0.71 C ATOM 642 C PHE A 41 15.959 -13.247 0.531 1.00 0.74 C ATOM 643 O PHE A 41 15.112 -14.051 0.211 1.00 0.80 O ATOM 644 CB PHE A 41 14.367 -11.733 1.737 1.00 0.80 C ATOM 645 CG PHE A 41 14.369 -10.413 2.483 1.00 0.61 C ATOM 646 CD1 PHE A 41 15.170 -9.361 2.028 1.00 0.39 C ATOM 647 CD2 PHE A 41 13.572 -10.238 3.631 1.00 0.67 C ATOM 648 CE1 PHE A 41 15.178 -8.140 2.712 1.00 0.27 C ATOM 649 CE2 PHE A 41 13.585 -9.016 4.310 1.00 0.50 C ATOM 650 CZ PHE A 41 14.387 -7.969 3.852 1.00 0.31 C ATOM 0 H PHE A 41 14.288 -11.407 -0.866 1.00 0.62 H new ATOM 0 HA PHE A 41 16.401 -11.251 1.249 1.00 0.71 H new ATOM 0 HB2 PHE A 41 13.442 -11.840 1.171 1.00 0.80 H new ATOM 0 HB3 PHE A 41 14.405 -12.561 2.444 1.00 0.80 H new ATOM 0 HD1 PHE A 41 15.783 -9.491 1.148 1.00 0.39 H new ATOM 0 HD2 PHE A 41 12.951 -11.047 3.986 1.00 0.67 H new ATOM 0 HE1 PHE A 41 15.796 -7.328 2.358 1.00 0.27 H new ATOM 0 HE2 PHE A 41 12.974 -8.882 5.190 1.00 0.50 H new ATOM 0 HZ PHE A 41 14.396 -7.026 4.379 1.00 0.31 H new ATOM 660 N THR A 42 17.227 -13.565 0.679 1.00 0.73 N ATOM 661 CA THR A 42 17.741 -14.952 0.456 1.00 0.73 C ATOM 662 C THR A 42 19.106 -14.884 -0.222 1.00 0.69 C ATOM 663 O THR A 42 19.442 -13.888 -0.834 1.00 0.70 O ATOM 664 CB THR A 42 16.790 -15.739 -0.429 1.00 0.71 C ATOM 665 OG1 THR A 42 17.365 -16.997 -0.765 1.00 0.74 O ATOM 666 CG2 THR A 42 16.545 -14.935 -1.688 1.00 0.65 C ATOM 0 H THR A 42 17.946 -12.896 0.954 1.00 0.73 H new ATOM 0 HA THR A 42 17.823 -15.451 1.422 1.00 0.73 H new ATOM 0 HB THR A 42 15.851 -15.918 0.095 1.00 0.71 H new ATOM 0 HG1 THR A 42 16.659 -17.615 -1.048 1.00 0.74 H new ATOM 0 HG21 THR A 42 15.864 -15.480 -2.341 1.00 0.65 H new ATOM 0 HG22 THR A 42 16.104 -13.973 -1.426 1.00 0.65 H new ATOM 0 HG23 THR A 42 17.490 -14.772 -2.205 1.00 0.65 H new ATOM 674 N GLY A 43 19.910 -15.925 -0.100 1.00 0.64 N ATOM 675 CA GLY A 43 21.272 -15.888 -0.719 1.00 0.61 C ATOM 676 C GLY A 43 21.815 -14.494 -0.462 1.00 0.66 C ATOM 677 O GLY A 43 22.500 -13.904 -1.273 1.00 0.60 O ATOM 0 H GLY A 43 19.680 -16.786 0.396 1.00 0.64 H new ATOM 0 HA2 GLY A 43 21.920 -16.646 -0.279 1.00 0.61 H new ATOM 0 HA3 GLY A 43 21.220 -16.095 -1.788 1.00 0.61 H new ATOM 681 N SER A 44 21.429 -13.951 0.656 1.00 0.78 N ATOM 682 CA SER A 44 21.804 -12.568 1.005 1.00 0.84 C ATOM 683 C SER A 44 22.662 -12.548 2.278 1.00 0.74 C ATOM 684 O SER A 44 22.974 -13.586 2.825 1.00 0.84 O ATOM 685 CB SER A 44 20.493 -11.835 1.210 1.00 0.94 C ATOM 686 OG SER A 44 20.167 -11.156 0.004 1.00 3.11 O ATOM 0 H SER A 44 20.856 -14.424 1.354 1.00 0.78 H new ATOM 0 HA SER A 44 22.403 -12.096 0.226 1.00 0.84 H new ATOM 0 HB2 SER A 44 19.703 -12.537 1.476 1.00 0.94 H new ATOM 0 HB3 SER A 44 20.579 -11.126 2.033 1.00 0.94 H new ATOM 0 HG SER A 44 20.944 -10.643 -0.303 1.00 3.11 H new ATOM 692 N PHE A 45 23.076 -11.389 2.757 1.00 0.60 N ATOM 693 CA PHE A 45 23.932 -11.391 3.977 1.00 0.58 C ATOM 694 C PHE A 45 23.701 -10.151 4.834 1.00 0.47 C ATOM 695 O PHE A 45 23.279 -9.112 4.377 1.00 0.40 O ATOM 696 CB PHE A 45 25.407 -11.440 3.581 1.00 0.68 C ATOM 697 CG PHE A 45 25.653 -12.660 2.740 1.00 0.78 C ATOM 698 CD1 PHE A 45 25.485 -13.935 3.284 1.00 0.48 C ATOM 699 CD2 PHE A 45 26.041 -12.510 1.410 1.00 1.77 C ATOM 700 CE1 PHE A 45 25.707 -15.064 2.490 1.00 0.52 C ATOM 701 CE2 PHE A 45 26.262 -13.629 0.617 1.00 1.87 C ATOM 702 CZ PHE A 45 26.093 -14.912 1.152 1.00 1.00 C ATOM 0 H PHE A 45 22.861 -10.473 2.364 1.00 0.60 H new ATOM 0 HA PHE A 45 23.662 -12.273 4.558 1.00 0.58 H new ATOM 0 HB2 PHE A 45 25.677 -10.541 3.027 1.00 0.68 H new ATOM 0 HB3 PHE A 45 26.034 -11.465 4.472 1.00 0.68 H new ATOM 0 HD1 PHE A 45 25.184 -14.049 4.315 1.00 0.48 H new ATOM 0 HD2 PHE A 45 26.170 -11.521 0.995 1.00 1.77 H new ATOM 0 HE1 PHE A 45 25.581 -16.052 2.908 1.00 0.52 H new ATOM 0 HE2 PHE A 45 26.564 -13.509 -0.413 1.00 1.87 H new ATOM 0 HZ PHE A 45 26.260 -15.782 0.535 1.00 1.00 H new ATOM 712 N ALA A 46 24.025 -10.268 6.079 1.00 0.47 N ATOM 713 CA ALA A 46 23.904 -9.134 7.018 1.00 0.38 C ATOM 714 C ALA A 46 25.244 -9.064 7.764 1.00 0.46 C ATOM 715 O ALA A 46 25.926 -10.059 7.898 1.00 0.57 O ATOM 716 CB ALA A 46 22.708 -9.322 7.962 1.00 0.28 C ATOM 0 H ALA A 46 24.379 -11.128 6.498 1.00 0.47 H new ATOM 0 HA ALA A 46 23.709 -8.195 6.501 1.00 0.38 H new ATOM 0 HB1 ALA A 46 22.644 -8.472 8.642 1.00 0.28 H new ATOM 0 HB2 ALA A 46 21.790 -9.389 7.378 1.00 0.28 H new ATOM 0 HB3 ALA A 46 22.839 -10.238 8.538 1.00 0.28 H new ATOM 722 N ARG A 47 25.679 -7.908 8.176 1.00 0.47 N ATOM 723 CA ARG A 47 27.023 -7.817 8.817 1.00 0.60 C ATOM 724 C ARG A 47 26.861 -7.561 10.312 1.00 0.52 C ATOM 725 O ARG A 47 25.911 -6.947 10.754 1.00 0.33 O ATOM 726 CB ARG A 47 27.786 -6.661 8.153 1.00 0.72 C ATOM 727 CG ARG A 47 28.826 -6.069 9.118 1.00 0.70 C ATOM 728 CD ARG A 47 29.982 -7.055 9.294 1.00 1.38 C ATOM 729 NE ARG A 47 31.086 -6.703 8.354 1.00 1.42 N ATOM 730 CZ ARG A 47 32.058 -5.921 8.746 1.00 0.78 C ATOM 731 NH1 ARG A 47 33.065 -6.414 9.416 1.00 0.97 N ATOM 732 NH2 ARG A 47 32.025 -4.646 8.466 1.00 0.64 N ATOM 0 H ARG A 47 25.169 -7.028 8.099 1.00 0.47 H new ATOM 0 HA ARG A 47 27.576 -8.748 8.689 1.00 0.60 H new ATOM 0 HB2 ARG A 47 28.282 -7.018 7.250 1.00 0.72 H new ATOM 0 HB3 ARG A 47 27.085 -5.885 7.846 1.00 0.72 H new ATOM 0 HG2 ARG A 47 29.199 -5.121 8.730 1.00 0.70 H new ATOM 0 HG3 ARG A 47 28.364 -5.859 10.083 1.00 0.70 H new ATOM 0 HD2 ARG A 47 30.343 -7.028 10.322 1.00 1.38 H new ATOM 0 HD3 ARG A 47 29.639 -8.072 9.103 1.00 1.38 H new ATOM 0 HE ARG A 47 31.083 -7.073 7.404 1.00 1.42 H new ATOM 0 HH11 ARG A 47 33.094 -7.410 9.634 1.00 0.97 H new ATOM 0 HH12 ARG A 47 33.823 -5.803 9.721 1.00 0.97 H new ATOM 0 HH21 ARG A 47 31.241 -4.259 7.941 1.00 0.64 H new ATOM 0 HH22 ARG A 47 32.784 -4.037 8.772 1.00 0.64 H new ATOM 746 N PHE A 48 27.765 -8.091 11.099 1.00 0.69 N ATOM 747 CA PHE A 48 27.647 -7.951 12.563 1.00 0.62 C ATOM 748 C PHE A 48 28.739 -7.093 13.159 1.00 0.77 C ATOM 749 O PHE A 48 29.867 -7.508 13.341 1.00 0.98 O ATOM 750 CB PHE A 48 27.712 -9.332 13.189 1.00 0.75 C ATOM 751 CG PHE A 48 26.532 -10.100 12.696 1.00 2.04 C ATOM 752 CD1 PHE A 48 26.457 -10.471 11.352 1.00 2.61 C ATOM 753 CD2 PHE A 48 25.502 -10.414 13.573 1.00 3.80 C ATOM 754 CE1 PHE A 48 25.341 -11.163 10.885 1.00 4.91 C ATOM 755 CE2 PHE A 48 24.387 -11.106 13.113 1.00 6.15 C ATOM 756 CZ PHE A 48 24.305 -11.484 11.765 1.00 6.69 C ATOM 0 H PHE A 48 28.579 -8.615 10.778 1.00 0.69 H new ATOM 0 HA PHE A 48 26.697 -7.460 12.771 1.00 0.62 H new ATOM 0 HB2 PHE A 48 28.639 -9.835 12.915 1.00 0.75 H new ATOM 0 HB3 PHE A 48 27.697 -9.262 14.277 1.00 0.75 H new ATOM 0 HD1 PHE A 48 27.262 -10.222 10.676 1.00 2.61 H new ATOM 0 HD2 PHE A 48 25.567 -10.121 14.611 1.00 3.80 H new ATOM 0 HE1 PHE A 48 25.277 -11.450 9.846 1.00 4.91 H new ATOM 0 HE2 PHE A 48 23.585 -11.352 13.793 1.00 6.15 H new ATOM 0 HZ PHE A 48 23.440 -12.023 11.407 1.00 6.69 H new ATOM 766 N GLU A 49 28.366 -5.928 13.529 1.00 0.73 N ATOM 767 CA GLU A 49 29.306 -5.010 14.204 1.00 0.99 C ATOM 768 C GLU A 49 28.906 -4.981 15.681 1.00 1.07 C ATOM 769 O GLU A 49 29.180 -4.036 16.395 1.00 1.17 O ATOM 770 CB GLU A 49 29.184 -3.612 13.596 1.00 1.03 C ATOM 771 CG GLU A 49 29.567 -3.669 12.115 1.00 2.18 C ATOM 772 CD GLU A 49 31.087 -3.803 11.986 1.00 0.83 C ATOM 773 OE1 GLU A 49 31.774 -3.456 12.932 1.00 1.38 O ATOM 774 OE2 GLU A 49 31.538 -4.249 10.942 1.00 0.71 O ATOM 0 H GLU A 49 27.427 -5.554 13.393 1.00 0.73 H new ATOM 0 HA GLU A 49 30.339 -5.339 14.087 1.00 0.99 H new ATOM 0 HB2 GLU A 49 28.164 -3.243 13.706 1.00 1.03 H new ATOM 0 HB3 GLU A 49 29.834 -2.915 14.125 1.00 1.03 H new ATOM 0 HG2 GLU A 49 29.074 -4.514 11.633 1.00 2.18 H new ATOM 0 HG3 GLU A 49 29.226 -2.768 11.605 1.00 2.18 H new ATOM 781 N ASP A 50 28.235 -6.020 16.136 1.00 1.04 N ATOM 782 CA ASP A 50 27.787 -6.063 17.559 1.00 1.13 C ATOM 783 C ASP A 50 27.173 -4.705 17.897 1.00 1.22 C ATOM 784 O ASP A 50 27.769 -3.887 18.569 1.00 1.38 O ATOM 785 CB ASP A 50 28.991 -6.337 18.465 1.00 1.30 C ATOM 786 CG ASP A 50 29.827 -7.468 17.867 1.00 1.29 C ATOM 787 OD1 ASP A 50 29.251 -8.316 17.206 1.00 1.19 O ATOM 788 OD2 ASP A 50 31.028 -7.470 18.082 1.00 1.47 O ATOM 0 H ASP A 50 27.982 -6.836 15.579 1.00 1.04 H new ATOM 0 HA ASP A 50 27.053 -6.855 17.710 1.00 1.13 H new ATOM 0 HB2 ASP A 50 29.597 -5.436 18.566 1.00 1.30 H new ATOM 0 HB3 ASP A 50 28.654 -6.609 19.465 1.00 1.30 H new ATOM 793 N GLY A 51 25.989 -4.458 17.413 1.00 1.17 N ATOM 794 CA GLY A 51 25.326 -3.153 17.674 1.00 1.29 C ATOM 795 C GLY A 51 24.790 -2.619 16.355 1.00 1.04 C ATOM 796 O GLY A 51 23.818 -1.890 16.311 1.00 1.11 O ATOM 0 H GLY A 51 25.449 -5.110 16.844 1.00 1.17 H new ATOM 0 HA2 GLY A 51 24.515 -3.276 18.392 1.00 1.29 H new ATOM 0 HA3 GLY A 51 26.034 -2.448 18.110 1.00 1.29 H new ATOM 800 N GLU A 52 25.415 -2.987 15.272 1.00 0.81 N ATOM 801 CA GLU A 52 24.944 -2.516 13.949 1.00 0.64 C ATOM 802 C GLU A 52 24.853 -3.705 12.990 1.00 0.56 C ATOM 803 O GLU A 52 25.846 -4.300 12.618 1.00 0.89 O ATOM 804 CB GLU A 52 25.921 -1.467 13.403 1.00 0.56 C ATOM 805 CG GLU A 52 25.955 -0.267 14.356 1.00 0.54 C ATOM 806 CD GLU A 52 27.156 0.622 14.031 1.00 0.44 C ATOM 807 OE1 GLU A 52 28.088 0.128 13.418 1.00 0.42 O ATOM 808 OE2 GLU A 52 27.126 1.783 14.405 1.00 0.45 O ATOM 0 H GLU A 52 26.233 -3.595 15.250 1.00 0.81 H new ATOM 0 HA GLU A 52 23.957 -2.063 14.048 1.00 0.64 H new ATOM 0 HB2 GLU A 52 26.918 -1.897 13.305 1.00 0.56 H new ATOM 0 HB3 GLU A 52 25.612 -1.148 12.408 1.00 0.56 H new ATOM 0 HG2 GLU A 52 25.032 0.306 14.266 1.00 0.54 H new ATOM 0 HG3 GLU A 52 26.016 -0.613 15.388 1.00 0.54 H new ATOM 815 N LEU A 53 23.662 -4.034 12.564 1.00 0.22 N ATOM 816 CA LEU A 53 23.477 -5.142 11.605 1.00 0.17 C ATOM 817 C LEU A 53 23.298 -4.486 10.260 1.00 0.16 C ATOM 818 O LEU A 53 22.264 -3.945 9.944 1.00 0.06 O ATOM 819 CB LEU A 53 22.234 -5.973 11.944 1.00 0.16 C ATOM 820 CG LEU A 53 22.061 -7.070 10.883 1.00 0.38 C ATOM 821 CD1 LEU A 53 22.829 -8.319 11.316 1.00 0.55 C ATOM 822 CD2 LEU A 53 20.579 -7.428 10.723 1.00 0.56 C ATOM 0 H LEU A 53 22.800 -3.569 12.850 1.00 0.22 H new ATOM 0 HA LEU A 53 24.328 -5.823 11.628 1.00 0.17 H new ATOM 0 HB2 LEU A 53 22.338 -6.419 12.933 1.00 0.16 H new ATOM 0 HB3 LEU A 53 21.351 -5.335 11.973 1.00 0.16 H new ATOM 0 HG LEU A 53 22.446 -6.702 9.932 1.00 0.38 H new ATOM 0 HD11 LEU A 53 22.708 -9.099 10.565 1.00 0.55 H new ATOM 0 HD12 LEU A 53 23.887 -8.078 11.421 1.00 0.55 H new ATOM 0 HD13 LEU A 53 22.441 -8.672 12.271 1.00 0.55 H new ATOM 0 HD21 LEU A 53 20.472 -8.207 9.968 1.00 0.56 H new ATOM 0 HD22 LEU A 53 20.187 -7.789 11.674 1.00 0.56 H new ATOM 0 HD23 LEU A 53 20.022 -6.543 10.413 1.00 0.56 H new ATOM 834 N TYR A 54 24.323 -4.473 9.497 1.00 0.29 N ATOM 835 CA TYR A 54 24.257 -3.774 8.194 1.00 0.32 C ATOM 836 C TYR A 54 23.699 -4.667 7.110 1.00 0.32 C ATOM 837 O TYR A 54 24.063 -5.813 6.973 1.00 0.39 O ATOM 838 CB TYR A 54 25.673 -3.398 7.761 1.00 0.41 C ATOM 839 CG TYR A 54 26.097 -2.128 8.457 1.00 0.66 C ATOM 840 CD1 TYR A 54 25.677 -0.886 7.963 1.00 0.71 C ATOM 841 CD2 TYR A 54 26.911 -2.192 9.594 1.00 0.98 C ATOM 842 CE1 TYR A 54 26.074 0.292 8.607 1.00 1.04 C ATOM 843 CE2 TYR A 54 27.308 -1.014 10.237 1.00 1.24 C ATOM 844 CZ TYR A 54 26.888 0.228 9.745 1.00 1.26 C ATOM 845 OH TYR A 54 27.284 1.389 10.375 1.00 1.58 O ATOM 0 H TYR A 54 25.217 -4.916 9.710 1.00 0.29 H new ATOM 0 HA TYR A 54 23.615 -2.903 8.322 1.00 0.32 H new ATOM 0 HB2 TYR A 54 26.364 -4.205 8.003 1.00 0.41 H new ATOM 0 HB3 TYR A 54 25.709 -3.261 6.680 1.00 0.41 H new ATOM 0 HD1 TYR A 54 25.048 -0.837 7.087 1.00 0.71 H new ATOM 0 HD2 TYR A 54 27.233 -3.150 9.975 1.00 0.98 H new ATOM 0 HE1 TYR A 54 25.753 1.250 8.226 1.00 1.04 H new ATOM 0 HE2 TYR A 54 27.938 -1.063 11.113 1.00 1.24 H new ATOM 0 HH TYR A 54 27.844 1.167 11.148 1.00 1.58 H new ATOM 855 N LEU A 55 22.874 -4.121 6.276 1.00 0.26 N ATOM 856 CA LEU A 55 22.385 -4.926 5.153 1.00 0.25 C ATOM 857 C LEU A 55 23.654 -5.211 4.377 1.00 0.33 C ATOM 858 O LEU A 55 24.517 -4.359 4.306 1.00 0.38 O ATOM 859 CB LEU A 55 21.458 -4.104 4.271 1.00 0.21 C ATOM 860 CG LEU A 55 20.006 -4.430 4.576 1.00 0.27 C ATOM 861 CD1 LEU A 55 19.261 -3.169 5.007 1.00 0.42 C ATOM 862 CD2 LEU A 55 19.374 -4.980 3.308 1.00 0.32 C ATOM 0 H LEU A 55 22.524 -3.164 6.326 1.00 0.26 H new ATOM 0 HA LEU A 55 21.834 -5.810 5.473 1.00 0.25 H new ATOM 0 HB2 LEU A 55 21.640 -3.042 4.433 1.00 0.21 H new ATOM 0 HB3 LEU A 55 21.670 -4.308 3.221 1.00 0.21 H new ATOM 0 HG LEU A 55 19.950 -5.159 5.385 1.00 0.27 H new ATOM 0 HD11 LEU A 55 18.222 -3.416 5.223 1.00 0.42 H new ATOM 0 HD12 LEU A 55 19.729 -2.758 5.901 1.00 0.42 H new ATOM 0 HD13 LEU A 55 19.300 -2.432 4.205 1.00 0.42 H new ATOM 0 HD21 LEU A 55 18.329 -5.223 3.498 1.00 0.32 H new ATOM 0 HD22 LEU A 55 19.434 -4.232 2.517 1.00 0.32 H new ATOM 0 HD23 LEU A 55 19.905 -5.880 2.997 1.00 0.32 H new ATOM 874 N GLU A 56 23.844 -6.359 3.835 1.00 0.37 N ATOM 875 CA GLU A 56 25.142 -6.557 3.144 1.00 0.45 C ATOM 876 C GLU A 56 24.896 -7.158 1.766 1.00 0.42 C ATOM 877 O GLU A 56 25.345 -6.636 0.764 1.00 0.44 O ATOM 878 CB GLU A 56 26.038 -7.435 4.030 1.00 0.56 C ATOM 879 CG GLU A 56 27.142 -8.072 3.179 1.00 0.55 C ATOM 880 CD GLU A 56 28.372 -8.333 4.048 1.00 0.30 C ATOM 881 OE1 GLU A 56 28.200 -8.832 5.148 1.00 0.98 O ATOM 882 OE2 GLU A 56 29.466 -8.030 3.600 1.00 1.33 O ATOM 0 H GLU A 56 23.195 -7.146 3.832 1.00 0.37 H new ATOM 0 HA GLU A 56 25.657 -5.609 2.987 1.00 0.45 H new ATOM 0 HB2 GLU A 56 26.480 -6.834 4.825 1.00 0.56 H new ATOM 0 HB3 GLU A 56 25.442 -8.211 4.510 1.00 0.56 H new ATOM 0 HG2 GLU A 56 26.787 -9.006 2.744 1.00 0.55 H new ATOM 0 HG3 GLU A 56 27.402 -7.413 2.351 1.00 0.55 H new ATOM 889 N ASN A 57 24.137 -8.204 1.691 1.00 0.38 N ATOM 890 CA ASN A 57 23.817 -8.773 0.365 1.00 0.34 C ATOM 891 C ASN A 57 22.298 -8.712 0.187 1.00 0.27 C ATOM 892 O ASN A 57 21.737 -9.330 -0.696 1.00 0.29 O ATOM 893 CB ASN A 57 24.345 -10.206 0.246 1.00 0.44 C ATOM 894 CG ASN A 57 25.512 -10.216 -0.746 1.00 0.88 C ATOM 895 OD1 ASN A 57 26.525 -9.584 -0.516 1.00 1.08 O ATOM 896 ND2 ASN A 57 25.410 -10.908 -1.846 1.00 1.15 N ATOM 0 H ASN A 57 23.725 -8.689 2.488 1.00 0.38 H new ATOM 0 HA ASN A 57 24.301 -8.199 -0.425 1.00 0.34 H new ATOM 0 HB2 ASN A 57 24.673 -10.570 1.220 1.00 0.44 H new ATOM 0 HB3 ASN A 57 23.554 -10.874 -0.094 1.00 0.44 H new ATOM 0 HD21 ASN A 57 26.180 -10.920 -2.515 1.00 1.15 H new ATOM 0 HD22 ASN A 57 24.560 -11.438 -2.038 1.00 1.15 H new ATOM 903 N LEU A 58 21.637 -7.913 1.000 1.00 0.27 N ATOM 904 CA LEU A 58 20.164 -7.737 0.866 1.00 0.32 C ATOM 905 C LEU A 58 19.968 -6.480 0.026 1.00 0.25 C ATOM 906 O LEU A 58 20.157 -5.378 0.501 1.00 0.19 O ATOM 907 CB LEU A 58 19.528 -7.492 2.236 1.00 0.40 C ATOM 908 CG LEU A 58 19.107 -8.773 2.934 1.00 0.79 C ATOM 909 CD1 LEU A 58 18.400 -9.709 1.962 1.00 1.80 C ATOM 910 CD2 LEU A 58 20.355 -9.420 3.515 1.00 3.43 C ATOM 0 H LEU A 58 22.066 -7.375 1.753 1.00 0.27 H new ATOM 0 HA LEU A 58 19.709 -8.623 0.422 1.00 0.32 H new ATOM 0 HB2 LEU A 58 20.236 -6.956 2.868 1.00 0.40 H new ATOM 0 HB3 LEU A 58 18.657 -6.847 2.116 1.00 0.40 H new ATOM 0 HG LEU A 58 18.399 -8.554 3.734 1.00 0.79 H new ATOM 0 HD11 LEU A 58 18.107 -10.621 2.483 1.00 1.80 H new ATOM 0 HD12 LEU A 58 17.512 -9.217 1.564 1.00 1.80 H new ATOM 0 HD13 LEU A 58 19.074 -9.960 1.143 1.00 1.80 H new ATOM 0 HD21 LEU A 58 20.082 -10.345 4.024 1.00 3.43 H new ATOM 0 HD22 LEU A 58 21.058 -9.641 2.712 1.00 3.43 H new ATOM 0 HD23 LEU A 58 20.821 -8.738 4.227 1.00 3.43 H new ATOM 922 N TYR A 59 19.649 -6.619 -1.221 1.00 0.28 N ATOM 923 CA TYR A 59 19.512 -5.411 -2.077 1.00 0.26 C ATOM 924 C TYR A 59 18.068 -4.941 -2.145 1.00 0.19 C ATOM 925 O TYR A 59 17.161 -5.705 -2.397 1.00 0.05 O ATOM 926 CB TYR A 59 20.023 -5.758 -3.461 1.00 0.27 C ATOM 927 CG TYR A 59 21.469 -6.182 -3.333 1.00 0.34 C ATOM 928 CD1 TYR A 59 22.153 -6.023 -2.107 1.00 0.32 C ATOM 929 CD2 TYR A 59 22.131 -6.735 -4.434 1.00 0.42 C ATOM 930 CE1 TYR A 59 23.493 -6.418 -2.002 1.00 0.38 C ATOM 931 CE2 TYR A 59 23.471 -7.127 -4.324 1.00 0.48 C ATOM 932 CZ TYR A 59 24.152 -6.970 -3.109 1.00 0.45 C ATOM 933 OH TYR A 59 25.473 -7.358 -3.004 1.00 0.51 O ATOM 0 H TYR A 59 19.477 -7.510 -1.687 1.00 0.28 H new ATOM 0 HA TYR A 59 20.093 -4.594 -1.650 1.00 0.26 H new ATOM 0 HB2 TYR A 59 19.428 -6.560 -3.897 1.00 0.27 H new ATOM 0 HB3 TYR A 59 19.935 -4.899 -4.126 1.00 0.27 H new ATOM 0 HD1 TYR A 59 21.645 -5.598 -1.254 1.00 0.32 H new ATOM 0 HD2 TYR A 59 21.608 -6.860 -5.371 1.00 0.42 H new ATOM 0 HE1 TYR A 59 24.019 -6.297 -1.067 1.00 0.38 H new ATOM 0 HE2 TYR A 59 23.980 -7.551 -5.177 1.00 0.48 H new ATOM 0 HH TYR A 59 25.776 -7.721 -3.862 1.00 0.51 H new ATOM 943 N ILE A 60 17.855 -3.675 -1.924 1.00 0.28 N ATOM 944 CA ILE A 60 16.478 -3.134 -1.964 1.00 0.19 C ATOM 945 C ILE A 60 16.114 -2.759 -3.407 1.00 0.31 C ATOM 946 O ILE A 60 16.616 -1.798 -3.952 1.00 0.32 O ATOM 947 CB ILE A 60 16.419 -1.902 -1.051 1.00 0.28 C ATOM 948 CG1 ILE A 60 17.241 -2.174 0.224 1.00 0.92 C ATOM 949 CG2 ILE A 60 14.966 -1.617 -0.668 1.00 0.21 C ATOM 950 CD1 ILE A 60 18.634 -1.555 0.083 1.00 1.83 C ATOM 0 H ILE A 60 18.583 -2.991 -1.717 1.00 0.28 H new ATOM 0 HA ILE A 60 15.762 -3.879 -1.616 1.00 0.19 H new ATOM 0 HB ILE A 60 16.830 -1.040 -1.576 1.00 0.28 H new ATOM 0 HG12 ILE A 60 16.733 -1.755 1.092 1.00 0.92 H new ATOM 0 HG13 ILE A 60 17.325 -3.248 0.392 1.00 0.92 H new ATOM 0 HG21 ILE A 60 14.926 -0.742 -0.020 1.00 0.21 H new ATOM 0 HG22 ILE A 60 14.383 -1.428 -1.569 1.00 0.21 H new ATOM 0 HG23 ILE A 60 14.553 -2.478 -0.142 1.00 0.21 H new ATOM 0 HD11 ILE A 60 19.212 -1.750 0.987 1.00 1.83 H new ATOM 0 HD12 ILE A 60 19.143 -1.995 -0.775 1.00 1.83 H new ATOM 0 HD13 ILE A 60 18.541 -0.479 -0.063 1.00 1.83 H new ATOM 962 N ALA A 61 15.244 -3.515 -4.029 1.00 0.63 N ATOM 963 CA ALA A 61 14.846 -3.209 -5.437 1.00 0.90 C ATOM 964 C ALA A 61 13.433 -2.607 -5.448 1.00 0.78 C ATOM 965 O ALA A 61 12.460 -3.320 -5.311 1.00 0.69 O ATOM 966 CB ALA A 61 14.848 -4.503 -6.258 1.00 1.17 C ATOM 0 H ALA A 61 14.791 -4.333 -3.621 1.00 0.63 H new ATOM 0 HA ALA A 61 15.551 -2.499 -5.868 1.00 0.90 H new ATOM 0 HB1 ALA A 61 14.558 -4.283 -7.285 1.00 1.17 H new ATOM 0 HB2 ALA A 61 15.847 -4.938 -6.248 1.00 1.17 H new ATOM 0 HB3 ALA A 61 14.140 -5.210 -5.825 1.00 1.17 H new ATOM 1243 N LYS A 78 21.602 -0.970 5.866 1.00 0.38 N ATOM 1244 CA LYS A 78 22.261 -0.804 7.194 1.00 0.32 C ATOM 1245 C LYS A 78 21.262 -1.058 8.329 1.00 0.17 C ATOM 1246 O LYS A 78 20.984 -0.178 9.121 1.00 0.28 O ATOM 1247 CB LYS A 78 22.827 0.617 7.323 1.00 0.40 C ATOM 1248 CG LYS A 78 21.817 1.638 6.795 1.00 2.97 C ATOM 1249 CD LYS A 78 22.479 3.019 6.724 1.00 3.14 C ATOM 1250 CE LYS A 78 22.525 3.643 8.122 1.00 1.17 C ATOM 1251 NZ LYS A 78 23.709 3.122 8.863 1.00 1.53 N ATOM 0 HA LYS A 78 23.071 -1.529 7.268 1.00 0.32 H new ATOM 0 HB2 LYS A 78 23.059 0.830 8.366 1.00 0.40 H new ATOM 0 HB3 LYS A 78 23.761 0.696 6.766 1.00 0.40 H new ATOM 0 HG2 LYS A 78 21.465 1.340 5.807 1.00 2.97 H new ATOM 0 HG3 LYS A 78 20.945 1.674 7.447 1.00 2.97 H new ATOM 0 HD2 LYS A 78 23.488 2.929 6.322 1.00 3.14 H new ATOM 0 HD3 LYS A 78 21.922 3.665 6.045 1.00 3.14 H new ATOM 0 HE2 LYS A 78 22.580 4.729 8.045 1.00 1.17 H new ATOM 0 HE3 LYS A 78 21.610 3.408 8.666 1.00 1.17 H new ATOM 0 HZ1 LYS A 78 23.390 2.520 9.649 1.00 1.53 H new ATOM 0 HZ2 LYS A 78 24.304 2.563 8.218 1.00 1.53 H new ATOM 0 HZ3 LYS A 78 24.261 3.919 9.240 1.00 1.53 H new ATOM 1265 N LEU A 79 20.723 -2.250 8.432 1.00 0.10 N ATOM 1266 CA LEU A 79 19.750 -2.522 9.544 1.00 0.24 C ATOM 1267 C LEU A 79 20.354 -2.087 10.889 1.00 0.34 C ATOM 1268 O LEU A 79 21.553 -2.093 11.078 1.00 0.34 O ATOM 1269 CB LEU A 79 19.443 -4.024 9.586 1.00 0.42 C ATOM 1270 CG LEU A 79 19.135 -4.525 8.176 1.00 0.38 C ATOM 1271 CD1 LEU A 79 20.273 -5.422 7.690 1.00 0.33 C ATOM 1272 CD2 LEU A 79 17.836 -5.329 8.199 1.00 0.78 C ATOM 0 H LEU A 79 20.909 -3.035 7.808 1.00 0.10 H new ATOM 0 HA LEU A 79 18.833 -1.960 9.367 1.00 0.24 H new ATOM 0 HB2 LEU A 79 20.293 -4.568 9.998 1.00 0.42 H new ATOM 0 HB3 LEU A 79 18.594 -4.214 10.243 1.00 0.42 H new ATOM 0 HG LEU A 79 19.031 -3.673 7.504 1.00 0.38 H new ATOM 0 HD11 LEU A 79 20.051 -5.778 6.684 1.00 0.33 H new ATOM 0 HD12 LEU A 79 21.203 -4.854 7.677 1.00 0.33 H new ATOM 0 HD13 LEU A 79 20.377 -6.274 8.362 1.00 0.33 H new ATOM 0 HD21 LEU A 79 17.613 -5.688 7.194 1.00 0.78 H new ATOM 0 HD22 LEU A 79 17.946 -6.179 8.872 1.00 0.78 H new ATOM 0 HD23 LEU A 79 17.021 -4.694 8.547 1.00 0.78 H new ATOM 1284 N LEU A 80 19.524 -1.708 11.826 1.00 0.45 N ATOM 1285 CA LEU A 80 20.031 -1.277 13.160 1.00 0.60 C ATOM 1286 C LEU A 80 19.620 -2.325 14.199 1.00 0.70 C ATOM 1287 O LEU A 80 18.455 -2.490 14.478 1.00 0.89 O ATOM 1288 CB LEU A 80 19.415 0.081 13.507 1.00 0.74 C ATOM 1289 CG LEU A 80 19.568 1.020 12.306 1.00 1.42 C ATOM 1290 CD1 LEU A 80 18.304 1.866 12.146 1.00 1.80 C ATOM 1291 CD2 LEU A 80 20.772 1.938 12.529 1.00 2.63 C ATOM 0 H LEU A 80 18.510 -1.679 11.722 1.00 0.45 H new ATOM 0 HA LEU A 80 21.117 -1.184 13.149 1.00 0.60 H new ATOM 0 HB2 LEU A 80 18.362 -0.037 13.761 1.00 0.74 H new ATOM 0 HB3 LEU A 80 19.908 0.505 14.382 1.00 0.74 H new ATOM 0 HG LEU A 80 19.721 0.429 11.403 1.00 1.42 H new ATOM 0 HD11 LEU A 80 18.418 2.532 11.291 1.00 1.80 H new ATOM 0 HD12 LEU A 80 17.447 1.212 11.985 1.00 1.80 H new ATOM 0 HD13 LEU A 80 18.145 2.457 13.048 1.00 1.80 H new ATOM 0 HD21 LEU A 80 20.883 2.607 11.675 1.00 2.63 H new ATOM 0 HD22 LEU A 80 20.618 2.526 13.434 1.00 2.63 H new ATOM 0 HD23 LEU A 80 21.674 1.335 12.637 1.00 2.63 H new ATOM 1303 N LEU A 81 20.550 -3.046 14.767 1.00 0.57 N ATOM 1304 CA LEU A 81 20.175 -4.077 15.765 1.00 0.66 C ATOM 1305 C LEU A 81 20.795 -3.774 17.098 1.00 0.71 C ATOM 1306 O LEU A 81 21.998 -3.652 17.216 1.00 0.56 O ATOM 1307 CB LEU A 81 20.716 -5.452 15.371 1.00 0.50 C ATOM 1308 CG LEU A 81 19.566 -6.356 14.925 1.00 0.71 C ATOM 1309 CD1 LEU A 81 19.743 -6.716 13.453 1.00 2.06 C ATOM 1310 CD2 LEU A 81 19.573 -7.638 15.758 1.00 0.93 C ATOM 0 H LEU A 81 21.549 -2.962 14.581 1.00 0.57 H new ATOM 0 HA LEU A 81 19.086 -4.075 15.810 1.00 0.66 H new ATOM 0 HB2 LEU A 81 21.443 -5.349 14.565 1.00 0.50 H new ATOM 0 HB3 LEU A 81 21.238 -5.903 16.215 1.00 0.50 H new ATOM 0 HG LEU A 81 18.620 -5.832 15.064 1.00 0.71 H new ATOM 0 HD11 LEU A 81 18.923 -7.360 13.135 1.00 2.06 H new ATOM 0 HD12 LEU A 81 19.743 -5.806 12.853 1.00 2.06 H new ATOM 0 HD13 LEU A 81 20.689 -7.239 13.318 1.00 2.06 H new ATOM 0 HD21 LEU A 81 18.753 -8.283 15.440 1.00 0.93 H new ATOM 0 HD22 LEU A 81 20.520 -8.159 15.616 1.00 0.93 H new ATOM 0 HD23 LEU A 81 19.450 -7.388 16.812 1.00 0.93 H new ATOM 1322 N HIS A 82 20.009 -3.758 18.114 1.00 0.98 N ATOM 1323 CA HIS A 82 20.605 -3.598 19.452 1.00 1.02 C ATOM 1324 C HIS A 82 21.659 -4.695 19.464 1.00 0.71 C ATOM 1325 O HIS A 82 21.408 -5.787 18.995 1.00 0.65 O ATOM 1326 CB HIS A 82 19.548 -3.828 20.533 1.00 1.31 C ATOM 1327 CG HIS A 82 18.387 -2.905 20.282 1.00 1.20 C ATOM 1328 ND1 HIS A 82 17.316 -2.806 21.155 1.00 1.27 N ATOM 1329 CD2 HIS A 82 18.118 -2.029 19.258 1.00 2.30 C ATOM 1330 CE1 HIS A 82 16.460 -1.900 20.646 1.00 1.29 C ATOM 1331 NE2 HIS A 82 16.901 -1.395 19.490 1.00 2.45 N ATOM 0 H HIS A 82 18.993 -3.847 18.083 1.00 0.98 H new ATOM 0 HA HIS A 82 21.013 -2.606 19.648 1.00 1.02 H new ATOM 0 HB2 HIS A 82 19.215 -4.866 20.520 1.00 1.31 H new ATOM 0 HB3 HIS A 82 19.971 -3.642 21.520 1.00 1.31 H new ATOM 0 HD2 HIS A 82 18.755 -1.858 18.403 1.00 2.30 H new ATOM 0 HE1 HIS A 82 15.530 -1.616 21.115 1.00 1.29 H new ATOM 0 HE2 HIS A 82 16.444 -0.696 18.904 1.00 2.45 H new ATOM 1339 N LYS A 83 22.850 -4.425 19.874 1.00 0.59 N ATOM 1340 CA LYS A 83 23.879 -5.485 19.748 1.00 0.28 C ATOM 1341 C LYS A 83 23.482 -6.756 20.495 1.00 0.33 C ATOM 1342 O LYS A 83 23.800 -7.848 20.065 1.00 0.36 O ATOM 1343 CB LYS A 83 25.214 -4.994 20.290 1.00 0.37 C ATOM 1344 CG LYS A 83 26.242 -6.103 20.110 1.00 0.52 C ATOM 1345 CD LYS A 83 26.205 -7.040 21.318 1.00 0.74 C ATOM 1346 CE LYS A 83 27.631 -7.289 21.811 1.00 1.40 C ATOM 1347 NZ LYS A 83 27.598 -7.652 23.256 1.00 1.30 N ATOM 0 H LYS A 83 23.158 -3.542 20.282 1.00 0.59 H new ATOM 0 HA LYS A 83 23.967 -5.719 18.687 1.00 0.28 H new ATOM 0 HB2 LYS A 83 25.530 -4.094 19.762 1.00 0.37 H new ATOM 0 HB3 LYS A 83 25.122 -4.730 21.343 1.00 0.37 H new ATOM 0 HG2 LYS A 83 26.033 -6.662 19.198 1.00 0.52 H new ATOM 0 HG3 LYS A 83 27.238 -5.675 20.000 1.00 0.52 H new ATOM 0 HD2 LYS A 83 25.604 -6.601 22.115 1.00 0.74 H new ATOM 0 HD3 LYS A 83 25.732 -7.984 21.046 1.00 0.74 H new ATOM 0 HE2 LYS A 83 28.093 -8.090 21.234 1.00 1.40 H new ATOM 0 HE3 LYS A 83 28.240 -6.397 21.662 1.00 1.40 H new ATOM 0 HZ1 LYS A 83 28.567 -7.822 23.593 1.00 1.30 H new ATOM 0 HZ2 LYS A 83 27.173 -6.874 23.800 1.00 1.30 H new ATOM 0 HZ3 LYS A 83 27.031 -8.514 23.385 1.00 1.30 H new ATOM 1361 N HIS A 84 22.797 -6.659 21.593 1.00 0.52 N ATOM 1362 CA HIS A 84 22.418 -7.912 22.299 1.00 0.68 C ATOM 1363 C HIS A 84 21.643 -8.780 21.308 1.00 0.75 C ATOM 1364 O HIS A 84 21.768 -9.988 21.280 1.00 0.82 O ATOM 1365 CB HIS A 84 21.539 -7.575 23.504 1.00 0.88 C ATOM 1366 CG HIS A 84 22.391 -6.955 24.575 1.00 1.61 C ATOM 1367 ND1 HIS A 84 23.470 -7.620 25.133 1.00 2.00 N ATOM 1368 CD2 HIS A 84 22.342 -5.732 25.195 1.00 3.21 C ATOM 1369 CE1 HIS A 84 24.023 -6.801 26.046 1.00 2.40 C ATOM 1370 NE2 HIS A 84 23.374 -5.636 26.124 1.00 3.18 N ATOM 0 H HIS A 84 22.487 -5.789 22.027 1.00 0.52 H new ATOM 0 HA HIS A 84 23.301 -8.441 22.657 1.00 0.68 H new ATOM 0 HB2 HIS A 84 20.745 -6.888 23.210 1.00 0.88 H new ATOM 0 HB3 HIS A 84 21.057 -8.477 23.882 1.00 0.88 H new ATOM 0 HD2 HIS A 84 21.613 -4.961 24.993 1.00 3.21 H new ATOM 0 HE1 HIS A 84 24.886 -7.055 26.643 1.00 2.40 H new ATOM 0 HE2 HIS A 84 23.588 -4.846 26.733 1.00 3.18 H new ATOM 1378 N GLU A 85 20.855 -8.152 20.489 1.00 0.77 N ATOM 1379 CA GLU A 85 20.060 -8.887 19.466 1.00 0.85 C ATOM 1380 C GLU A 85 20.957 -9.368 18.320 1.00 0.78 C ATOM 1381 O GLU A 85 20.700 -10.378 17.695 1.00 0.88 O ATOM 1382 CB GLU A 85 19.016 -7.933 18.886 1.00 0.90 C ATOM 1383 CG GLU A 85 18.047 -7.507 19.989 1.00 0.80 C ATOM 1384 CD GLU A 85 16.763 -8.330 19.878 1.00 1.33 C ATOM 1385 OE1 GLU A 85 16.739 -9.427 20.410 1.00 1.71 O ATOM 1386 OE2 GLU A 85 15.827 -7.849 19.261 1.00 1.84 O ATOM 0 H GLU A 85 20.724 -7.141 20.483 1.00 0.77 H new ATOM 0 HA GLU A 85 19.592 -9.750 19.939 1.00 0.85 H new ATOM 0 HB2 GLU A 85 19.505 -7.058 18.459 1.00 0.90 H new ATOM 0 HB3 GLU A 85 18.472 -8.421 18.077 1.00 0.90 H new ATOM 0 HG2 GLU A 85 18.504 -7.655 20.968 1.00 0.80 H new ATOM 0 HG3 GLU A 85 17.821 -6.444 19.900 1.00 0.80 H new ATOM 1393 N LEU A 86 21.954 -8.595 17.986 1.00 0.66 N ATOM 1394 CA LEU A 86 22.817 -8.931 16.816 1.00 0.63 C ATOM 1395 C LEU A 86 23.761 -10.130 17.050 1.00 0.59 C ATOM 1396 O LEU A 86 23.868 -11.007 16.217 1.00 0.65 O ATOM 1397 CB LEU A 86 23.662 -7.690 16.512 1.00 0.55 C ATOM 1398 CG LEU A 86 23.482 -7.299 15.049 1.00 1.76 C ATOM 1399 CD1 LEU A 86 24.606 -6.354 14.622 1.00 1.92 C ATOM 1400 CD2 LEU A 86 23.515 -8.558 14.196 1.00 3.07 C ATOM 0 H LEU A 86 22.210 -7.738 18.477 1.00 0.66 H new ATOM 0 HA LEU A 86 22.164 -9.220 15.993 1.00 0.63 H new ATOM 0 HB2 LEU A 86 23.363 -6.866 17.159 1.00 0.55 H new ATOM 0 HB3 LEU A 86 24.713 -7.893 16.719 1.00 0.55 H new ATOM 0 HG LEU A 86 22.527 -6.790 14.919 1.00 1.76 H new ATOM 0 HD11 LEU A 86 24.472 -6.078 13.576 1.00 1.92 H new ATOM 0 HD12 LEU A 86 24.581 -5.456 15.240 1.00 1.92 H new ATOM 0 HD13 LEU A 86 25.567 -6.853 14.745 1.00 1.92 H new ATOM 0 HD21 LEU A 86 23.387 -8.290 13.147 1.00 3.07 H new ATOM 0 HD22 LEU A 86 24.473 -9.062 14.328 1.00 3.07 H new ATOM 0 HD23 LEU A 86 22.709 -9.225 14.501 1.00 3.07 H new ATOM 1412 N ARG A 87 24.483 -10.145 18.129 1.00 0.49 N ATOM 1413 CA ARG A 87 25.473 -11.250 18.373 1.00 0.45 C ATOM 1414 C ARG A 87 24.857 -12.666 18.544 1.00 0.35 C ATOM 1415 O ARG A 87 25.518 -13.650 18.273 1.00 0.32 O ATOM 1416 CB ARG A 87 26.270 -10.910 19.635 1.00 0.42 C ATOM 1417 CG ARG A 87 26.847 -12.192 20.240 1.00 1.21 C ATOM 1418 CD ARG A 87 28.019 -11.843 21.162 1.00 1.42 C ATOM 1419 NE ARG A 87 29.304 -12.045 20.434 1.00 0.91 N ATOM 1420 CZ ARG A 87 30.434 -11.710 20.996 1.00 1.46 C ATOM 1421 NH1 ARG A 87 30.820 -10.464 20.990 1.00 3.46 N ATOM 1422 NH2 ARG A 87 31.178 -12.621 21.564 1.00 1.54 N ATOM 0 H ARG A 87 24.437 -9.439 18.864 1.00 0.49 H new ATOM 0 HA ARG A 87 26.092 -11.303 17.478 1.00 0.45 H new ATOM 0 HB2 ARG A 87 27.075 -10.216 19.393 1.00 0.42 H new ATOM 0 HB3 ARG A 87 25.627 -10.411 20.360 1.00 0.42 H new ATOM 0 HG2 ARG A 87 26.076 -12.721 20.800 1.00 1.21 H new ATOM 0 HG3 ARG A 87 27.181 -12.862 19.448 1.00 1.21 H new ATOM 0 HD2 ARG A 87 27.937 -10.809 21.496 1.00 1.42 H new ATOM 0 HD3 ARG A 87 27.992 -12.469 22.054 1.00 1.42 H new ATOM 0 HE ARG A 87 29.301 -12.445 19.496 1.00 0.91 H new ATOM 0 HH11 ARG A 87 30.239 -9.752 20.547 1.00 3.46 H new ATOM 0 HH12 ARG A 87 31.703 -10.201 21.429 1.00 3.46 H new ATOM 0 HH21 ARG A 87 30.877 -13.595 21.569 1.00 1.54 H new ATOM 0 HH22 ARG A 87 32.061 -12.358 22.003 1.00 1.54 H new ATOM 1436 N ARG A 88 23.666 -12.812 19.070 1.00 0.32 N ATOM 1437 CA ARG A 88 23.141 -14.208 19.330 1.00 0.22 C ATOM 1438 C ARG A 88 22.727 -15.015 18.073 1.00 0.19 C ATOM 1439 O ARG A 88 23.083 -16.171 17.954 1.00 0.14 O ATOM 1440 CB ARG A 88 21.937 -14.124 20.267 1.00 0.32 C ATOM 1441 CG ARG A 88 21.614 -15.527 20.793 1.00 0.45 C ATOM 1442 CD ARG A 88 21.286 -15.457 22.286 1.00 0.67 C ATOM 1443 NE ARG A 88 22.550 -15.354 23.070 1.00 1.53 N ATOM 1444 CZ ARG A 88 22.579 -15.747 24.312 1.00 1.30 C ATOM 1445 NH1 ARG A 88 22.625 -17.020 24.593 1.00 1.71 N ATOM 1446 NH2 ARG A 88 22.568 -14.867 25.275 1.00 0.79 N ATOM 0 H ARG A 88 23.039 -12.050 19.329 1.00 0.32 H new ATOM 0 HA ARG A 88 23.980 -14.749 19.768 1.00 0.22 H new ATOM 0 HB2 ARG A 88 22.152 -13.451 21.097 1.00 0.32 H new ATOM 0 HB3 ARG A 88 21.077 -13.713 19.739 1.00 0.32 H new ATOM 0 HG2 ARG A 88 20.770 -15.946 20.245 1.00 0.45 H new ATOM 0 HG3 ARG A 88 22.462 -16.192 20.628 1.00 0.45 H new ATOM 0 HD2 ARG A 88 20.649 -14.596 22.489 1.00 0.67 H new ATOM 0 HD3 ARG A 88 20.729 -16.344 22.589 1.00 0.67 H new ATOM 0 HE ARG A 88 23.391 -14.976 22.634 1.00 1.53 H new ATOM 0 HH11 ARG A 88 22.638 -17.708 23.840 1.00 1.71 H new ATOM 0 HH12 ARG A 88 22.648 -17.327 25.565 1.00 1.71 H new ATOM 0 HH21 ARG A 88 22.537 -13.871 25.056 1.00 0.79 H new ATOM 0 HH22 ARG A 88 22.591 -15.175 26.247 1.00 0.79 H new ATOM 1460 N LEU A 89 21.960 -14.475 17.165 1.00 0.30 N ATOM 1461 CA LEU A 89 21.527 -15.306 15.982 1.00 0.35 C ATOM 1462 C LEU A 89 22.737 -15.688 15.125 1.00 0.41 C ATOM 1463 O LEU A 89 22.808 -16.765 14.569 1.00 0.43 O ATOM 1464 CB LEU A 89 20.492 -14.508 15.167 1.00 0.50 C ATOM 1465 CG LEU A 89 20.703 -14.603 13.639 1.00 0.52 C ATOM 1466 CD1 LEU A 89 21.999 -13.905 13.218 1.00 0.49 C ATOM 1467 CD2 LEU A 89 20.736 -16.069 13.208 1.00 0.53 C ATOM 0 H LEU A 89 21.615 -13.515 17.180 1.00 0.30 H new ATOM 0 HA LEU A 89 21.069 -16.233 16.327 1.00 0.35 H new ATOM 0 HB2 LEU A 89 19.493 -14.869 15.411 1.00 0.50 H new ATOM 0 HB3 LEU A 89 20.534 -13.461 15.467 1.00 0.50 H new ATOM 0 HG LEU A 89 19.870 -14.100 13.147 1.00 0.52 H new ATOM 0 HD11 LEU A 89 22.122 -13.987 12.138 1.00 0.49 H new ATOM 0 HD12 LEU A 89 21.953 -12.853 13.499 1.00 0.49 H new ATOM 0 HD13 LEU A 89 22.845 -14.377 13.717 1.00 0.49 H new ATOM 0 HD21 LEU A 89 20.885 -16.128 12.130 1.00 0.53 H new ATOM 0 HD22 LEU A 89 21.554 -16.579 13.716 1.00 0.53 H new ATOM 0 HD23 LEU A 89 19.792 -16.547 13.470 1.00 0.53 H new ATOM 1479 N LEU A 90 23.671 -14.797 14.999 1.00 0.50 N ATOM 1480 CA LEU A 90 24.874 -15.055 14.161 1.00 0.66 C ATOM 1481 C LEU A 90 25.769 -16.125 14.796 1.00 0.76 C ATOM 1482 O LEU A 90 26.485 -16.828 14.110 1.00 0.79 O ATOM 1483 CB LEU A 90 25.644 -13.744 13.987 1.00 0.82 C ATOM 1484 CG LEU A 90 27.084 -14.009 13.519 1.00 1.11 C ATOM 1485 CD1 LEU A 90 27.123 -14.026 11.994 1.00 2.17 C ATOM 1486 CD2 LEU A 90 27.999 -12.900 14.034 1.00 2.87 C ATOM 0 H LEU A 90 23.654 -13.882 15.449 1.00 0.50 H new ATOM 0 HA LEU A 90 24.559 -15.429 13.187 1.00 0.66 H new ATOM 0 HB2 LEU A 90 25.133 -13.111 13.262 1.00 0.82 H new ATOM 0 HB3 LEU A 90 25.659 -13.199 14.931 1.00 0.82 H new ATOM 0 HG LEU A 90 27.422 -14.970 13.907 1.00 1.11 H new ATOM 0 HD11 LEU A 90 28.143 -14.214 11.658 1.00 2.17 H new ATOM 0 HD12 LEU A 90 26.468 -14.814 11.622 1.00 2.17 H new ATOM 0 HD13 LEU A 90 26.786 -13.063 11.611 1.00 2.17 H new ATOM 0 HD21 LEU A 90 29.020 -13.088 13.702 1.00 2.87 H new ATOM 0 HD22 LEU A 90 27.662 -11.940 13.644 1.00 2.87 H new ATOM 0 HD23 LEU A 90 27.969 -12.880 15.123 1.00 2.87 H new ATOM 1498 N GLY A 91 25.788 -16.217 16.092 1.00 0.83 N ATOM 1499 CA GLY A 91 26.699 -17.199 16.748 1.00 0.95 C ATOM 1500 C GLY A 91 26.450 -18.629 16.243 1.00 0.87 C ATOM 1501 O GLY A 91 27.334 -19.460 16.304 1.00 0.86 O ATOM 0 H GLY A 91 25.216 -15.659 16.727 1.00 0.83 H new ATOM 0 HA2 GLY A 91 27.735 -16.920 16.555 1.00 0.95 H new ATOM 0 HA3 GLY A 91 26.555 -17.164 17.828 1.00 0.95 H new ATOM 1505 N LYS A 92 25.280 -18.953 15.751 1.00 0.81 N ATOM 1506 CA LYS A 92 25.071 -20.350 15.273 1.00 0.76 C ATOM 1507 C LYS A 92 25.475 -20.497 13.793 1.00 0.61 C ATOM 1508 O LYS A 92 25.945 -21.539 13.378 1.00 0.60 O ATOM 1509 CB LYS A 92 23.604 -20.738 15.456 1.00 0.80 C ATOM 1510 CG LYS A 92 23.412 -21.353 16.843 1.00 1.17 C ATOM 1511 CD LYS A 92 23.137 -22.849 16.696 1.00 1.31 C ATOM 1512 CE LYS A 92 24.209 -23.473 15.802 1.00 1.94 C ATOM 1513 NZ LYS A 92 24.336 -24.924 16.112 1.00 3.17 N ATOM 0 H LYS A 92 24.480 -18.327 15.661 1.00 0.81 H new ATOM 0 HA LYS A 92 25.702 -21.015 15.862 1.00 0.76 H new ATOM 0 HB2 LYS A 92 22.967 -19.860 15.344 1.00 0.80 H new ATOM 0 HB3 LYS A 92 23.305 -21.449 14.686 1.00 0.80 H new ATOM 0 HG2 LYS A 92 24.302 -21.193 17.451 1.00 1.17 H new ATOM 0 HG3 LYS A 92 22.583 -20.868 17.358 1.00 1.17 H new ATOM 0 HD2 LYS A 92 23.139 -23.329 17.675 1.00 1.31 H new ATOM 0 HD3 LYS A 92 22.149 -23.008 16.264 1.00 1.31 H new ATOM 0 HE2 LYS A 92 23.946 -23.337 14.753 1.00 1.94 H new ATOM 0 HE3 LYS A 92 25.164 -22.972 15.959 1.00 1.94 H new ATOM 0 HZ1 LYS A 92 25.066 -25.347 15.503 1.00 3.17 H new ATOM 0 HZ2 LYS A 92 24.606 -25.044 17.109 1.00 3.17 H new ATOM 0 HZ3 LYS A 92 23.426 -25.397 15.941 1.00 3.17 H new ATOM 1527 N VAL A 93 25.277 -19.485 12.987 1.00 0.51 N ATOM 1528 CA VAL A 93 25.628 -19.592 11.539 1.00 0.36 C ATOM 1529 C VAL A 93 27.127 -19.821 11.329 1.00 0.37 C ATOM 1530 O VAL A 93 27.541 -20.482 10.398 1.00 0.32 O ATOM 1531 CB VAL A 93 25.239 -18.296 10.836 1.00 0.32 C ATOM 1532 CG1 VAL A 93 23.731 -18.251 10.651 1.00 0.29 C ATOM 1533 CG2 VAL A 93 25.681 -17.105 11.682 1.00 0.46 C ATOM 0 H VAL A 93 24.886 -18.587 13.271 1.00 0.51 H new ATOM 0 HA VAL A 93 25.088 -20.445 11.129 1.00 0.36 H new ATOM 0 HB VAL A 93 25.727 -18.252 9.862 1.00 0.32 H new ATOM 0 HG11 VAL A 93 23.454 -17.324 10.148 1.00 0.29 H new ATOM 0 HG12 VAL A 93 23.413 -19.101 10.047 1.00 0.29 H new ATOM 0 HG13 VAL A 93 23.243 -18.296 11.625 1.00 0.29 H new ATOM 0 HG21 VAL A 93 25.403 -16.179 11.179 1.00 0.46 H new ATOM 0 HG22 VAL A 93 25.194 -17.150 12.656 1.00 0.46 H new ATOM 0 HG23 VAL A 93 26.762 -17.135 11.816 1.00 0.46 H new ATOM 1543 N GLU A 94 27.933 -19.245 12.161 1.00 0.42 N ATOM 1544 CA GLU A 94 29.415 -19.374 12.004 1.00 0.40 C ATOM 1545 C GLU A 94 29.854 -20.841 11.967 1.00 0.40 C ATOM 1546 O GLU A 94 30.973 -21.144 11.604 1.00 0.34 O ATOM 1547 CB GLU A 94 30.107 -18.683 13.180 1.00 0.47 C ATOM 1548 CG GLU A 94 29.646 -17.227 13.260 1.00 2.09 C ATOM 1549 CD GLU A 94 30.822 -16.337 13.666 1.00 1.68 C ATOM 1550 OE1 GLU A 94 31.900 -16.869 13.872 1.00 1.60 O ATOM 1551 OE2 GLU A 94 30.623 -15.137 13.764 1.00 2.02 O ATOM 0 H GLU A 94 27.634 -18.681 12.957 1.00 0.42 H new ATOM 0 HA GLU A 94 29.695 -18.907 11.059 1.00 0.40 H new ATOM 0 HB2 GLU A 94 29.872 -19.201 14.110 1.00 0.47 H new ATOM 0 HB3 GLU A 94 31.189 -18.727 13.056 1.00 0.47 H new ATOM 0 HG2 GLU A 94 29.251 -16.907 12.296 1.00 2.09 H new ATOM 0 HG3 GLU A 94 28.837 -17.131 13.984 1.00 2.09 H new ATOM 1558 N GLN A 95 29.011 -21.757 12.346 1.00 0.48 N ATOM 1559 CA GLN A 95 29.436 -23.187 12.326 1.00 0.51 C ATOM 1560 C GLN A 95 29.973 -23.566 10.937 1.00 0.48 C ATOM 1561 O GLN A 95 31.169 -23.620 10.728 1.00 0.54 O ATOM 1562 CB GLN A 95 28.261 -24.090 12.693 1.00 0.59 C ATOM 1563 CG GLN A 95 28.783 -25.496 12.998 1.00 1.82 C ATOM 1564 CD GLN A 95 27.842 -26.181 13.990 1.00 0.94 C ATOM 1565 OE1 GLN A 95 28.248 -26.551 15.074 1.00 0.80 O ATOM 1566 NE2 GLN A 95 26.593 -26.363 13.665 1.00 0.98 N ATOM 0 H GLN A 95 28.058 -21.584 12.665 1.00 0.48 H new ATOM 0 HA GLN A 95 30.231 -23.323 13.059 1.00 0.51 H new ATOM 0 HB2 GLN A 95 27.735 -23.689 13.559 1.00 0.59 H new ATOM 0 HB3 GLN A 95 27.544 -24.125 11.873 1.00 0.59 H new ATOM 0 HG2 GLN A 95 28.849 -26.079 12.079 1.00 1.82 H new ATOM 0 HG3 GLN A 95 29.789 -25.441 13.413 1.00 1.82 H new ATOM 0 HE21 GLN A 95 26.252 -26.052 12.755 1.00 0.98 H new ATOM 0 HE22 GLN A 95 25.956 -26.816 14.321 1.00 0.98 H new ATOM 1575 N LYS A 96 29.115 -23.835 9.984 1.00 0.41 N ATOM 1576 CA LYS A 96 29.615 -24.213 8.629 1.00 0.42 C ATOM 1577 C LYS A 96 28.438 -24.549 7.708 1.00 0.38 C ATOM 1578 O LYS A 96 27.735 -25.519 7.910 1.00 0.37 O ATOM 1579 CB LYS A 96 30.525 -25.438 8.748 1.00 0.49 C ATOM 1580 CG LYS A 96 31.765 -25.244 7.872 1.00 0.50 C ATOM 1581 CD LYS A 96 33.021 -25.474 8.714 1.00 1.17 C ATOM 1582 CE LYS A 96 34.012 -26.337 7.930 1.00 1.30 C ATOM 1583 NZ LYS A 96 35.093 -26.804 8.843 1.00 0.67 N ATOM 0 H LYS A 96 28.100 -23.809 10.085 1.00 0.41 H new ATOM 0 HA LYS A 96 30.171 -23.375 8.209 1.00 0.42 H new ATOM 0 HB2 LYS A 96 30.821 -25.584 9.787 1.00 0.49 H new ATOM 0 HB3 LYS A 96 29.987 -26.335 8.440 1.00 0.49 H new ATOM 0 HG2 LYS A 96 31.744 -25.939 7.033 1.00 0.50 H new ATOM 0 HG3 LYS A 96 31.774 -24.238 7.452 1.00 0.50 H new ATOM 0 HD2 LYS A 96 33.479 -24.519 8.971 1.00 1.17 H new ATOM 0 HD3 LYS A 96 32.758 -25.964 9.651 1.00 1.17 H new ATOM 0 HE2 LYS A 96 33.498 -27.192 7.490 1.00 1.30 H new ATOM 0 HE3 LYS A 96 34.439 -25.764 7.107 1.00 1.30 H new ATOM 0 HZ1 LYS A 96 35.767 -27.391 8.311 1.00 0.67 H new ATOM 0 HZ2 LYS A 96 35.589 -25.982 9.242 1.00 0.67 H new ATOM 0 HZ3 LYS A 96 34.678 -27.366 9.614 1.00 0.67 H new ATOM 1597 N GLY A 97 28.228 -23.758 6.693 1.00 0.38 N ATOM 1598 CA GLY A 97 27.105 -24.029 5.747 1.00 0.36 C ATOM 1599 C GLY A 97 25.862 -23.253 6.181 1.00 0.30 C ATOM 1600 O GLY A 97 24.797 -23.393 5.611 1.00 0.57 O ATOM 0 H GLY A 97 28.786 -22.933 6.476 1.00 0.38 H new ATOM 0 HA2 GLY A 97 27.391 -23.739 4.736 1.00 0.36 H new ATOM 0 HA3 GLY A 97 26.888 -25.097 5.723 1.00 0.36 H new ATOM 1604 N LEU A 98 25.986 -22.436 7.188 1.00 0.37 N ATOM 1605 CA LEU A 98 24.814 -21.652 7.660 1.00 0.28 C ATOM 1606 C LEU A 98 24.886 -20.235 7.108 1.00 0.27 C ATOM 1607 O LEU A 98 25.954 -19.722 6.837 1.00 0.33 O ATOM 1608 CB LEU A 98 24.836 -21.543 9.175 1.00 0.31 C ATOM 1609 CG LEU A 98 24.328 -22.829 9.801 1.00 0.33 C ATOM 1610 CD1 LEU A 98 24.890 -24.028 9.028 1.00 0.39 C ATOM 1611 CD2 LEU A 98 24.784 -22.906 11.261 1.00 0.39 C ATOM 0 H LEU A 98 26.851 -22.277 7.705 1.00 0.37 H new ATOM 0 HA LEU A 98 23.909 -22.158 7.322 1.00 0.28 H new ATOM 0 HB2 LEU A 98 25.851 -21.339 9.517 1.00 0.31 H new ATOM 0 HB3 LEU A 98 24.217 -20.705 9.496 1.00 0.31 H new ATOM 0 HG LEU A 98 23.239 -22.845 9.761 1.00 0.33 H new ATOM 0 HD11 LEU A 98 24.526 -24.953 9.476 1.00 0.39 H new ATOM 0 HD12 LEU A 98 24.565 -23.976 7.989 1.00 0.39 H new ATOM 0 HD13 LEU A 98 25.979 -24.009 9.069 1.00 0.39 H new ATOM 0 HD21 LEU A 98 24.418 -23.830 11.708 1.00 0.39 H new ATOM 0 HD22 LEU A 98 25.873 -22.889 11.303 1.00 0.39 H new ATOM 0 HD23 LEU A 98 24.386 -22.054 11.812 1.00 0.39 H new ATOM 1623 N THR A 99 23.768 -19.583 6.962 1.00 0.21 N ATOM 1624 CA THR A 99 23.817 -18.182 6.452 1.00 0.25 C ATOM 1625 C THR A 99 23.052 -17.257 7.388 1.00 0.22 C ATOM 1626 O THR A 99 22.262 -17.687 8.206 1.00 0.25 O ATOM 1627 CB THR A 99 23.184 -18.095 5.059 1.00 0.28 C ATOM 1628 OG1 THR A 99 22.877 -19.403 4.598 1.00 0.59 O ATOM 1629 CG2 THR A 99 24.163 -17.427 4.096 1.00 0.30 C ATOM 0 H THR A 99 22.838 -19.948 7.168 1.00 0.21 H new ATOM 0 HA THR A 99 24.863 -17.879 6.399 1.00 0.25 H new ATOM 0 HB THR A 99 22.269 -17.505 5.109 1.00 0.28 H new ATOM 0 HG1 THR A 99 22.777 -19.391 3.623 1.00 0.59 H new ATOM 0 HG21 THR A 99 23.713 -17.365 3.105 1.00 0.30 H new ATOM 0 HG22 THR A 99 24.396 -16.424 4.452 1.00 0.30 H new ATOM 0 HG23 THR A 99 25.079 -18.015 4.042 1.00 0.30 H new ATOM 1637 N LEU A 100 23.256 -15.978 7.239 1.00 0.40 N ATOM 1638 CA LEU A 100 22.528 -15.013 8.063 1.00 0.40 C ATOM 1639 C LEU A 100 21.801 -14.083 7.107 1.00 0.44 C ATOM 1640 O LEU A 100 22.366 -13.471 6.225 1.00 0.50 O ATOM 1641 CB LEU A 100 23.504 -14.242 8.940 1.00 0.44 C ATOM 1642 CG LEU A 100 24.869 -14.260 8.281 1.00 0.32 C ATOM 1643 CD1 LEU A 100 24.782 -13.424 7.019 1.00 0.38 C ATOM 1644 CD2 LEU A 100 25.874 -13.654 9.242 1.00 0.49 C ATOM 0 H LEU A 100 23.907 -15.569 6.569 1.00 0.40 H new ATOM 0 HA LEU A 100 21.818 -15.507 8.726 1.00 0.40 H new ATOM 0 HB2 LEU A 100 23.162 -13.216 9.073 1.00 0.44 H new ATOM 0 HB3 LEU A 100 23.557 -14.692 9.932 1.00 0.44 H new ATOM 0 HG LEU A 100 25.180 -15.275 8.032 1.00 0.32 H new ATOM 0 HD11 LEU A 100 25.751 -13.417 6.520 1.00 0.38 H new ATOM 0 HD12 LEU A 100 24.033 -13.850 6.351 1.00 0.38 H new ATOM 0 HD13 LEU A 100 24.499 -12.403 7.277 1.00 0.38 H new ATOM 0 HD21 LEU A 100 26.863 -13.658 8.784 1.00 0.49 H new ATOM 0 HD22 LEU A 100 25.585 -12.628 9.472 1.00 0.49 H new ATOM 0 HD23 LEU A 100 25.897 -14.239 10.161 1.00 0.49 H new ATOM 1656 N VAL A 101 20.543 -14.019 7.270 1.00 0.41 N ATOM 1657 CA VAL A 101 19.697 -13.178 6.388 1.00 0.46 C ATOM 1658 C VAL A 101 18.513 -12.626 7.197 1.00 0.44 C ATOM 1659 O VAL A 101 17.904 -13.367 7.932 1.00 0.39 O ATOM 1660 CB VAL A 101 19.181 -14.084 5.264 1.00 0.46 C ATOM 1661 CG1 VAL A 101 17.993 -14.893 5.782 1.00 0.36 C ATOM 1662 CG2 VAL A 101 18.735 -13.246 4.064 1.00 0.60 C ATOM 0 H VAL A 101 20.032 -14.523 7.995 1.00 0.41 H new ATOM 0 HA VAL A 101 20.261 -12.339 5.981 1.00 0.46 H new ATOM 0 HB VAL A 101 19.983 -14.751 4.949 1.00 0.46 H new ATOM 0 HG11 VAL A 101 17.620 -15.540 4.988 1.00 0.36 H new ATOM 0 HG12 VAL A 101 18.309 -15.502 6.629 1.00 0.36 H new ATOM 0 HG13 VAL A 101 17.201 -14.214 6.099 1.00 0.36 H new ATOM 0 HG21 VAL A 101 18.372 -13.905 3.275 1.00 0.60 H new ATOM 0 HG22 VAL A 101 17.936 -12.570 4.369 1.00 0.60 H new ATOM 0 HG23 VAL A 101 19.579 -12.666 3.692 1.00 0.60 H new ATOM 1672 N PRO A 102 18.178 -11.372 7.011 1.00 0.46 N ATOM 1673 CA PRO A 102 17.010 -10.772 7.690 1.00 0.44 C ATOM 1674 C PRO A 102 15.775 -11.352 6.965 1.00 0.54 C ATOM 1675 O PRO A 102 15.230 -10.748 6.065 1.00 1.02 O ATOM 1676 CB PRO A 102 17.181 -9.269 7.435 1.00 0.44 C ATOM 1677 CG PRO A 102 18.099 -9.140 6.197 1.00 0.47 C ATOM 1678 CD PRO A 102 18.906 -10.451 6.114 1.00 0.50 C ATOM 0 HA PRO A 102 16.910 -10.966 8.758 1.00 0.44 H new ATOM 0 HB2 PRO A 102 16.217 -8.793 7.255 1.00 0.44 H new ATOM 0 HB3 PRO A 102 17.624 -8.776 8.300 1.00 0.44 H new ATOM 0 HG2 PRO A 102 17.511 -8.988 5.292 1.00 0.47 H new ATOM 0 HG3 PRO A 102 18.763 -8.281 6.294 1.00 0.47 H new ATOM 0 HD2 PRO A 102 18.944 -10.833 5.094 1.00 0.50 H new ATOM 0 HD3 PRO A 102 19.936 -10.307 6.439 1.00 0.50 H new ATOM 1686 N LEU A 103 15.407 -12.570 7.291 1.00 0.50 N ATOM 1687 CA LEU A 103 14.298 -13.274 6.564 1.00 0.56 C ATOM 1688 C LEU A 103 13.047 -12.415 6.348 1.00 0.48 C ATOM 1689 O LEU A 103 12.398 -12.541 5.335 1.00 0.65 O ATOM 1690 CB LEU A 103 13.936 -14.571 7.306 1.00 0.67 C ATOM 1691 CG LEU A 103 13.076 -14.267 8.532 1.00 1.53 C ATOM 1692 CD1 LEU A 103 11.765 -15.049 8.441 1.00 1.99 C ATOM 1693 CD2 LEU A 103 13.833 -14.691 9.789 1.00 3.03 C ATOM 0 H LEU A 103 15.834 -13.114 8.041 1.00 0.50 H new ATOM 0 HA LEU A 103 14.676 -13.498 5.567 1.00 0.56 H new ATOM 0 HB2 LEU A 103 13.399 -15.242 6.636 1.00 0.67 H new ATOM 0 HB3 LEU A 103 14.846 -15.087 7.612 1.00 0.67 H new ATOM 0 HG LEU A 103 12.859 -13.200 8.574 1.00 1.53 H new ATOM 0 HD11 LEU A 103 11.151 -14.833 9.315 1.00 1.99 H new ATOM 0 HD12 LEU A 103 11.228 -14.756 7.539 1.00 1.99 H new ATOM 0 HD13 LEU A 103 11.980 -16.117 8.404 1.00 1.99 H new ATOM 0 HD21 LEU A 103 13.226 -14.477 10.669 1.00 3.03 H new ATOM 0 HD22 LEU A 103 14.043 -15.760 9.744 1.00 3.03 H new ATOM 0 HD23 LEU A 103 14.771 -14.139 9.853 1.00 3.03 H new ATOM 1705 N LYS A 104 12.671 -11.561 7.248 1.00 0.30 N ATOM 1706 CA LYS A 104 11.433 -10.768 6.975 1.00 0.28 C ATOM 1707 C LYS A 104 11.580 -9.337 7.477 1.00 0.19 C ATOM 1708 O LYS A 104 11.843 -9.089 8.634 1.00 0.20 O ATOM 1709 CB LYS A 104 10.241 -11.432 7.667 1.00 0.36 C ATOM 1710 CG LYS A 104 9.433 -12.217 6.631 1.00 0.54 C ATOM 1711 CD LYS A 104 7.938 -11.930 6.811 1.00 0.58 C ATOM 1712 CE LYS A 104 7.538 -12.170 8.267 1.00 0.56 C ATOM 1713 NZ LYS A 104 7.387 -10.862 8.964 1.00 2.76 N ATOM 0 H LYS A 104 13.142 -11.375 8.133 1.00 0.30 H new ATOM 0 HA LYS A 104 11.271 -10.740 5.898 1.00 0.28 H new ATOM 0 HB2 LYS A 104 10.588 -12.099 8.456 1.00 0.36 H new ATOM 0 HB3 LYS A 104 9.613 -10.677 8.140 1.00 0.36 H new ATOM 0 HG2 LYS A 104 9.747 -11.939 5.625 1.00 0.54 H new ATOM 0 HG3 LYS A 104 9.623 -13.285 6.741 1.00 0.54 H new ATOM 0 HD2 LYS A 104 7.719 -10.900 6.529 1.00 0.58 H new ATOM 0 HD3 LYS A 104 7.353 -12.572 6.153 1.00 0.58 H new ATOM 0 HE2 LYS A 104 6.602 -12.727 8.311 1.00 0.56 H new ATOM 0 HE3 LYS A 104 8.294 -12.776 8.768 1.00 0.56 H new ATOM 0 HZ1 LYS A 104 6.711 -10.962 9.748 1.00 2.76 H new ATOM 0 HZ2 LYS A 104 8.309 -10.560 9.338 1.00 2.76 H new ATOM 0 HZ3 LYS A 104 7.035 -10.150 8.293 1.00 2.76 H new ATOM 1727 N ILE A 105 11.400 -8.393 6.603 1.00 0.21 N ATOM 1728 CA ILE A 105 11.521 -6.964 7.014 1.00 0.23 C ATOM 1729 C ILE A 105 10.178 -6.240 6.822 1.00 0.16 C ATOM 1730 O ILE A 105 9.751 -5.998 5.714 1.00 0.32 O ATOM 1731 CB ILE A 105 12.593 -6.282 6.152 1.00 0.41 C ATOM 1732 CG1 ILE A 105 13.916 -6.216 6.926 1.00 0.61 C ATOM 1733 CG2 ILE A 105 12.143 -4.864 5.797 1.00 0.23 C ATOM 1734 CD1 ILE A 105 14.968 -5.475 6.088 1.00 0.60 C ATOM 0 H ILE A 105 11.174 -8.545 5.620 1.00 0.21 H new ATOM 0 HA ILE A 105 11.801 -6.917 8.066 1.00 0.23 H new ATOM 0 HB ILE A 105 12.736 -6.859 5.238 1.00 0.41 H new ATOM 0 HG12 ILE A 105 13.767 -5.704 7.877 1.00 0.61 H new ATOM 0 HG13 ILE A 105 14.264 -7.223 7.157 1.00 0.61 H new ATOM 0 HG21 ILE A 105 12.906 -4.383 5.185 1.00 0.23 H new ATOM 0 HG22 ILE A 105 11.206 -4.908 5.241 1.00 0.23 H new ATOM 0 HG23 ILE A 105 11.995 -4.289 6.711 1.00 0.23 H new ATOM 0 HD11 ILE A 105 15.907 -5.429 6.640 1.00 0.60 H new ATOM 0 HD12 ILE A 105 15.125 -6.006 5.149 1.00 0.60 H new ATOM 0 HD13 ILE A 105 14.620 -4.463 5.879 1.00 0.60 H new ATOM 1746 N TYR A 106 9.523 -5.861 7.893 1.00 0.07 N ATOM 1747 CA TYR A 106 8.230 -5.121 7.755 1.00 0.20 C ATOM 1748 C TYR A 106 8.525 -3.652 8.047 1.00 0.11 C ATOM 1749 O TYR A 106 9.497 -3.337 8.700 1.00 0.15 O ATOM 1750 CB TYR A 106 7.182 -5.676 8.733 1.00 0.46 C ATOM 1751 CG TYR A 106 6.837 -4.646 9.785 1.00 2.23 C ATOM 1752 CD1 TYR A 106 6.120 -3.493 9.436 1.00 2.91 C ATOM 1753 CD2 TYR A 106 7.231 -4.845 11.111 1.00 4.30 C ATOM 1754 CE1 TYR A 106 5.807 -2.540 10.410 1.00 5.11 C ATOM 1755 CE2 TYR A 106 6.913 -3.893 12.089 1.00 6.62 C ATOM 1756 CZ TYR A 106 6.203 -2.740 11.738 1.00 6.92 C ATOM 1757 OH TYR A 106 5.896 -1.797 12.698 1.00 9.25 O ATOM 0 H TYR A 106 9.826 -6.031 8.852 1.00 0.07 H new ATOM 0 HA TYR A 106 7.820 -5.237 6.752 1.00 0.20 H new ATOM 0 HB2 TYR A 106 6.283 -5.961 8.187 1.00 0.46 H new ATOM 0 HB3 TYR A 106 7.564 -6.578 9.211 1.00 0.46 H new ATOM 0 HD1 TYR A 106 5.809 -3.341 8.413 1.00 2.91 H new ATOM 0 HD2 TYR A 106 7.781 -5.734 11.382 1.00 4.30 H new ATOM 0 HE1 TYR A 106 5.260 -1.650 10.138 1.00 5.11 H new ATOM 0 HE2 TYR A 106 7.216 -4.050 13.114 1.00 6.62 H new ATOM 0 HH TYR A 106 6.551 -1.069 12.663 1.00 9.25 H new ATOM 1767 N PHE A 107 7.754 -2.744 7.517 1.00 0.16 N ATOM 1768 CA PHE A 107 8.094 -1.306 7.730 1.00 0.24 C ATOM 1769 C PHE A 107 6.885 -0.432 8.126 1.00 0.32 C ATOM 1770 O PHE A 107 5.759 -0.700 7.755 1.00 0.33 O ATOM 1771 CB PHE A 107 8.660 -0.788 6.408 1.00 0.28 C ATOM 1772 CG PHE A 107 10.150 -0.619 6.529 1.00 0.30 C ATOM 1773 CD1 PHE A 107 10.998 -1.721 6.375 1.00 0.32 C ATOM 1774 CD2 PHE A 107 10.682 0.646 6.782 1.00 0.28 C ATOM 1775 CE1 PHE A 107 12.384 -1.554 6.470 1.00 0.33 C ATOM 1776 CE2 PHE A 107 12.068 0.815 6.879 1.00 0.30 C ATOM 1777 CZ PHE A 107 12.918 -0.285 6.721 1.00 0.33 C ATOM 0 H PHE A 107 6.921 -2.926 6.957 1.00 0.16 H new ATOM 0 HA PHE A 107 8.800 -1.242 8.558 1.00 0.24 H new ATOM 0 HB2 PHE A 107 8.427 -1.485 5.603 1.00 0.28 H new ATOM 0 HB3 PHE A 107 8.196 0.164 6.150 1.00 0.28 H new ATOM 0 HD1 PHE A 107 10.583 -2.700 6.183 1.00 0.32 H new ATOM 0 HD2 PHE A 107 10.025 1.494 6.903 1.00 0.28 H new ATOM 0 HE1 PHE A 107 13.041 -2.403 6.350 1.00 0.33 H new ATOM 0 HE2 PHE A 107 12.481 1.793 7.076 1.00 0.30 H new ATOM 0 HZ PHE A 107 13.988 -0.155 6.793 1.00 0.33 H new ATOM 1787 N ASN A 108 7.139 0.649 8.845 1.00 0.38 N ATOM 1788 CA ASN A 108 6.042 1.597 9.239 1.00 0.44 C ATOM 1789 C ASN A 108 6.594 3.031 9.236 1.00 0.47 C ATOM 1790 O ASN A 108 7.749 3.258 9.523 1.00 0.46 O ATOM 1791 CB ASN A 108 5.514 1.267 10.634 1.00 0.44 C ATOM 1792 CG ASN A 108 4.049 0.836 10.536 1.00 0.72 C ATOM 1793 OD1 ASN A 108 3.299 1.374 9.747 1.00 0.90 O ATOM 1794 ND2 ASN A 108 3.609 -0.117 11.310 1.00 1.08 N ATOM 0 H ASN A 108 8.067 0.912 9.175 1.00 0.38 H new ATOM 0 HA ASN A 108 5.224 1.502 8.525 1.00 0.44 H new ATOM 0 HB2 ASN A 108 6.109 0.471 11.081 1.00 0.44 H new ATOM 0 HB3 ASN A 108 5.606 2.137 11.284 1.00 0.44 H new ATOM 0 HD21 ASN A 108 2.634 -0.411 11.253 1.00 1.08 H new ATOM 0 HD22 ASN A 108 4.240 -0.568 11.972 1.00 1.08 H new ATOM 1801 N GLU A 109 5.774 3.994 8.902 1.00 0.51 N ATOM 1802 CA GLU A 109 6.248 5.417 8.841 1.00 0.53 C ATOM 1803 C GLU A 109 6.696 5.927 10.215 1.00 0.55 C ATOM 1804 O GLU A 109 7.198 7.028 10.336 1.00 0.57 O ATOM 1805 CB GLU A 109 5.118 6.311 8.326 1.00 0.57 C ATOM 1806 CG GLU A 109 5.710 7.610 7.774 1.00 0.53 C ATOM 1807 CD GLU A 109 4.818 8.790 8.165 1.00 1.07 C ATOM 1808 OE1 GLU A 109 4.350 8.807 9.292 1.00 1.34 O ATOM 1809 OE2 GLU A 109 4.617 9.656 7.330 1.00 1.30 O ATOM 0 H GLU A 109 4.791 3.859 8.667 1.00 0.51 H new ATOM 0 HA GLU A 109 7.104 5.452 8.167 1.00 0.53 H new ATOM 0 HB2 GLU A 109 4.557 5.794 7.547 1.00 0.57 H new ATOM 0 HB3 GLU A 109 4.417 6.531 9.132 1.00 0.57 H new ATOM 0 HG2 GLU A 109 6.717 7.757 8.165 1.00 0.53 H new ATOM 0 HG3 GLU A 109 5.795 7.550 6.689 1.00 0.53 H new ATOM 1816 N ARG A 110 6.532 5.156 11.247 1.00 0.55 N ATOM 1817 CA ARG A 110 6.966 5.629 12.593 1.00 0.56 C ATOM 1818 C ARG A 110 8.455 5.329 12.786 1.00 0.54 C ATOM 1819 O ARG A 110 8.954 5.308 13.894 1.00 0.55 O ATOM 1820 CB ARG A 110 6.157 4.908 13.673 1.00 0.56 C ATOM 1821 CG ARG A 110 5.415 5.935 14.529 1.00 0.62 C ATOM 1822 CD ARG A 110 5.705 5.665 16.007 1.00 2.23 C ATOM 1823 NE ARG A 110 4.437 5.728 16.787 1.00 0.79 N ATOM 1824 CZ ARG A 110 3.927 4.637 17.291 1.00 0.56 C ATOM 1825 NH1 ARG A 110 3.346 3.766 16.512 1.00 1.15 N ATOM 1826 NH2 ARG A 110 3.997 4.418 18.576 1.00 0.74 N ATOM 0 H ARG A 110 6.119 4.224 11.222 1.00 0.55 H new ATOM 0 HA ARG A 110 6.799 6.703 12.670 1.00 0.56 H new ATOM 0 HB2 ARG A 110 5.446 4.222 13.212 1.00 0.56 H new ATOM 0 HB3 ARG A 110 6.819 4.309 14.298 1.00 0.56 H new ATOM 0 HG2 ARG A 110 5.731 6.944 14.263 1.00 0.62 H new ATOM 0 HG3 ARG A 110 4.343 5.877 14.340 1.00 0.62 H new ATOM 0 HD2 ARG A 110 6.167 4.685 16.124 1.00 2.23 H new ATOM 0 HD3 ARG A 110 6.415 6.399 16.388 1.00 2.23 H new ATOM 0 HE ARG A 110 3.968 6.623 16.927 1.00 0.79 H new ATOM 0 HH11 ARG A 110 3.290 3.937 15.508 1.00 1.15 H new ATOM 0 HH12 ARG A 110 2.948 2.914 16.907 1.00 1.15 H new ATOM 0 HH21 ARG A 110 4.450 5.099 19.185 1.00 0.74 H new ATOM 0 HH22 ARG A 110 3.599 3.566 18.971 1.00 0.74 H new ATOM 1840 N GLY A 111 9.169 5.073 11.721 1.00 0.51 N ATOM 1841 CA GLY A 111 10.616 4.748 11.863 1.00 0.48 C ATOM 1842 C GLY A 111 10.723 3.454 12.642 1.00 0.47 C ATOM 1843 O GLY A 111 11.678 3.212 13.353 1.00 0.47 O ATOM 0 H GLY A 111 8.814 5.075 10.765 1.00 0.51 H new ATOM 0 HA2 GLY A 111 11.083 4.644 10.883 1.00 0.48 H new ATOM 0 HA3 GLY A 111 11.139 5.551 12.382 1.00 0.48 H new ATOM 1847 N TYR A 112 9.743 2.612 12.499 1.00 0.47 N ATOM 1848 CA TYR A 112 9.776 1.320 13.212 1.00 0.46 C ATOM 1849 C TYR A 112 9.567 0.200 12.208 1.00 0.42 C ATOM 1850 O TYR A 112 8.473 -0.045 11.738 1.00 0.45 O ATOM 1851 CB TYR A 112 8.663 1.282 14.261 1.00 0.53 C ATOM 1852 CG TYR A 112 9.249 1.545 15.627 1.00 0.82 C ATOM 1853 CD1 TYR A 112 10.401 0.862 16.034 1.00 2.09 C ATOM 1854 CD2 TYR A 112 8.646 2.474 16.484 1.00 1.13 C ATOM 1855 CE1 TYR A 112 10.951 1.108 17.298 1.00 2.42 C ATOM 1856 CE2 TYR A 112 9.196 2.720 17.748 1.00 1.38 C ATOM 1857 CZ TYR A 112 10.348 2.037 18.155 1.00 1.66 C ATOM 1858 OH TYR A 112 10.889 2.279 19.401 1.00 2.11 O ATOM 0 H TYR A 112 8.920 2.767 11.916 1.00 0.47 H new ATOM 0 HA TYR A 112 10.738 1.198 13.709 1.00 0.46 H new ATOM 0 HB2 TYR A 112 7.904 2.030 14.029 1.00 0.53 H new ATOM 0 HB3 TYR A 112 8.168 0.311 14.247 1.00 0.53 H new ATOM 0 HD1 TYR A 112 10.866 0.145 15.373 1.00 2.09 H new ATOM 0 HD2 TYR A 112 7.757 3.001 16.170 1.00 1.13 H new ATOM 0 HE1 TYR A 112 11.840 0.581 17.612 1.00 2.42 H new ATOM 0 HE2 TYR A 112 8.731 3.437 18.409 1.00 1.38 H new ATOM 0 HH TYR A 112 10.349 2.951 19.867 1.00 2.11 H new ATOM 1868 N ALA A 113 10.610 -0.499 11.905 1.00 0.36 N ATOM 1869 CA ALA A 113 10.512 -1.636 10.966 1.00 0.33 C ATOM 1870 C ALA A 113 11.008 -2.851 11.720 1.00 0.33 C ATOM 1871 O ALA A 113 12.003 -2.787 12.413 1.00 0.31 O ATOM 1872 CB ALA A 113 11.387 -1.389 9.736 1.00 0.25 C ATOM 0 H ALA A 113 11.545 -0.328 12.275 1.00 0.36 H new ATOM 0 HA ALA A 113 9.488 -1.772 10.617 1.00 0.33 H new ATOM 0 HB1 ALA A 113 11.304 -2.235 9.054 1.00 0.25 H new ATOM 0 HB2 ALA A 113 11.056 -0.482 9.230 1.00 0.25 H new ATOM 0 HB3 ALA A 113 12.426 -1.273 10.046 1.00 0.25 H new ATOM 1878 N LYS A 114 10.339 -3.949 11.638 1.00 0.37 N ATOM 1879 CA LYS A 114 10.838 -5.116 12.412 1.00 0.36 C ATOM 1880 C LYS A 114 11.564 -6.075 11.485 1.00 0.28 C ATOM 1881 O LYS A 114 11.092 -6.417 10.421 1.00 0.30 O ATOM 1882 CB LYS A 114 9.670 -5.836 13.083 1.00 0.51 C ATOM 1883 CG LYS A 114 9.889 -5.867 14.597 1.00 1.51 C ATOM 1884 CD LYS A 114 9.003 -4.814 15.269 1.00 1.45 C ATOM 1885 CE LYS A 114 8.019 -5.504 16.217 1.00 1.31 C ATOM 1886 NZ LYS A 114 7.180 -4.480 16.902 1.00 1.45 N ATOM 0 H LYS A 114 9.492 -4.097 11.089 1.00 0.37 H new ATOM 0 HA LYS A 114 11.528 -4.764 13.179 1.00 0.36 H new ATOM 0 HB2 LYS A 114 8.734 -5.327 12.851 1.00 0.51 H new ATOM 0 HB3 LYS A 114 9.585 -6.852 12.697 1.00 0.51 H new ATOM 0 HG2 LYS A 114 9.654 -6.857 14.988 1.00 1.51 H new ATOM 0 HG3 LYS A 114 10.937 -5.674 14.826 1.00 1.51 H new ATOM 0 HD2 LYS A 114 9.619 -4.104 15.821 1.00 1.45 H new ATOM 0 HD3 LYS A 114 8.459 -4.245 14.514 1.00 1.45 H new ATOM 0 HE2 LYS A 114 7.385 -6.194 15.660 1.00 1.31 H new ATOM 0 HE3 LYS A 114 8.563 -6.095 16.954 1.00 1.31 H new ATOM 0 HZ1 LYS A 114 6.513 -4.952 17.545 1.00 1.45 H new ATOM 0 HZ2 LYS A 114 7.791 -3.838 17.447 1.00 1.45 H new ATOM 0 HZ3 LYS A 114 6.650 -3.934 16.193 1.00 1.45 H new ATOM 1900 N VAL A 115 12.716 -6.511 11.890 1.00 0.21 N ATOM 1901 CA VAL A 115 13.493 -7.453 11.040 1.00 0.19 C ATOM 1902 C VAL A 115 13.552 -8.829 11.695 1.00 0.21 C ATOM 1903 O VAL A 115 13.744 -8.959 12.887 1.00 0.41 O ATOM 1904 CB VAL A 115 14.914 -6.932 10.870 1.00 0.28 C ATOM 1905 CG1 VAL A 115 15.577 -7.655 9.696 1.00 0.54 C ATOM 1906 CG2 VAL A 115 14.873 -5.430 10.596 1.00 0.96 C ATOM 0 H VAL A 115 13.157 -6.258 12.774 1.00 0.21 H new ATOM 0 HA VAL A 115 13.003 -7.533 10.070 1.00 0.19 H new ATOM 0 HB VAL A 115 15.487 -7.116 11.779 1.00 0.28 H new ATOM 0 HG11 VAL A 115 16.595 -7.286 9.569 1.00 0.54 H new ATOM 0 HG12 VAL A 115 15.602 -8.726 9.895 1.00 0.54 H new ATOM 0 HG13 VAL A 115 15.008 -7.468 8.785 1.00 0.54 H new ATOM 0 HG21 VAL A 115 15.889 -5.055 10.474 1.00 0.96 H new ATOM 0 HG22 VAL A 115 14.305 -5.242 9.685 1.00 0.96 H new ATOM 0 HG23 VAL A 115 14.396 -4.920 11.433 1.00 0.96 H new ATOM 1916 N LEU A 116 13.414 -9.857 10.911 1.00 0.06 N ATOM 1917 CA LEU A 116 13.487 -11.233 11.463 1.00 0.12 C ATOM 1918 C LEU A 116 14.658 -11.944 10.780 1.00 0.15 C ATOM 1919 O LEU A 116 14.696 -12.088 9.574 1.00 0.24 O ATOM 1920 CB LEU A 116 12.165 -11.963 11.196 1.00 0.15 C ATOM 1921 CG LEU A 116 11.086 -11.411 12.134 1.00 1.48 C ATOM 1922 CD1 LEU A 116 9.699 -11.800 11.619 1.00 1.43 C ATOM 1923 CD2 LEU A 116 11.285 -11.989 13.537 1.00 2.50 C ATOM 0 H LEU A 116 13.253 -9.802 9.905 1.00 0.06 H new ATOM 0 HA LEU A 116 13.646 -11.218 12.541 1.00 0.12 H new ATOM 0 HB2 LEU A 116 11.864 -11.828 10.157 1.00 0.15 H new ATOM 0 HB3 LEU A 116 12.289 -13.034 11.355 1.00 0.15 H new ATOM 0 HG LEU A 116 11.165 -10.324 12.169 1.00 1.48 H new ATOM 0 HD11 LEU A 116 8.937 -11.404 12.291 1.00 1.43 H new ATOM 0 HD12 LEU A 116 9.553 -11.387 10.621 1.00 1.43 H new ATOM 0 HD13 LEU A 116 9.618 -12.886 11.578 1.00 1.43 H new ATOM 0 HD21 LEU A 116 10.518 -11.597 14.204 1.00 2.50 H new ATOM 0 HD22 LEU A 116 11.210 -13.076 13.497 1.00 2.50 H new ATOM 0 HD23 LEU A 116 12.269 -11.707 13.910 1.00 2.50 H new ATOM 1935 N LEU A 117 15.631 -12.355 11.542 1.00 0.08 N ATOM 1936 CA LEU A 117 16.825 -13.018 10.950 1.00 0.10 C ATOM 1937 C LEU A 117 16.681 -14.512 11.079 1.00 0.11 C ATOM 1938 O LEU A 117 16.426 -15.039 12.140 1.00 0.39 O ATOM 1939 CB LEU A 117 18.065 -12.534 11.714 1.00 0.34 C ATOM 1940 CG LEU A 117 19.399 -13.022 11.098 1.00 0.09 C ATOM 1941 CD1 LEU A 117 19.406 -14.544 10.881 1.00 0.17 C ATOM 1942 CD2 LEU A 117 19.661 -12.309 9.764 1.00 0.27 C ATOM 0 H LEU A 117 15.651 -12.259 12.557 1.00 0.08 H new ATOM 0 HA LEU A 117 16.922 -12.769 9.893 1.00 0.10 H new ATOM 0 HB2 LEU A 117 18.063 -11.444 11.741 1.00 0.34 H new ATOM 0 HB3 LEU A 117 18.003 -12.878 12.746 1.00 0.34 H new ATOM 0 HG LEU A 117 20.192 -12.779 11.805 1.00 0.09 H new ATOM 0 HD11 LEU A 117 20.360 -14.845 10.447 1.00 0.17 H new ATOM 0 HD12 LEU A 117 19.267 -15.048 11.837 1.00 0.17 H new ATOM 0 HD13 LEU A 117 18.597 -14.819 10.204 1.00 0.17 H new ATOM 0 HD21 LEU A 117 20.602 -12.661 9.342 1.00 0.27 H new ATOM 0 HD22 LEU A 117 18.849 -12.525 9.070 1.00 0.27 H new ATOM 0 HD23 LEU A 117 19.719 -11.233 9.931 1.00 0.27 H new ATOM 1954 N GLY A 118 16.854 -15.204 10.003 1.00 0.15 N ATOM 1955 CA GLY A 118 16.742 -16.660 10.070 1.00 0.10 C ATOM 1956 C GLY A 118 18.076 -17.287 9.691 1.00 0.10 C ATOM 1957 O GLY A 118 18.515 -17.228 8.559 1.00 0.10 O ATOM 0 H GLY A 118 17.068 -14.819 9.083 1.00 0.15 H new ATOM 0 HA2 GLY A 118 16.455 -16.968 11.076 1.00 0.10 H new ATOM 0 HA3 GLY A 118 15.960 -17.007 9.395 1.00 0.10 H new ATOM 1961 N LEU A 119 18.700 -17.913 10.635 1.00 0.10 N ATOM 1962 CA LEU A 119 19.984 -18.593 10.369 1.00 0.11 C ATOM 1963 C LEU A 119 19.620 -19.979 9.920 1.00 0.13 C ATOM 1964 O LEU A 119 18.982 -20.707 10.636 1.00 0.15 O ATOM 1965 CB LEU A 119 20.809 -18.662 11.652 1.00 0.10 C ATOM 1966 CG LEU A 119 21.345 -20.098 11.889 1.00 0.15 C ATOM 1967 CD1 LEU A 119 22.194 -20.580 10.711 1.00 0.18 C ATOM 1968 CD2 LEU A 119 22.208 -20.098 13.145 1.00 0.15 C ATOM 0 H LEU A 119 18.369 -17.984 11.597 1.00 0.10 H new ATOM 0 HA LEU A 119 20.577 -18.066 9.621 1.00 0.11 H new ATOM 0 HB2 LEU A 119 21.644 -17.964 11.590 1.00 0.10 H new ATOM 0 HB3 LEU A 119 20.197 -18.353 12.500 1.00 0.10 H new ATOM 0 HG LEU A 119 20.493 -20.769 11.997 1.00 0.15 H new ATOM 0 HD11 LEU A 119 22.553 -21.590 10.911 1.00 0.18 H new ATOM 0 HD12 LEU A 119 21.590 -20.583 9.804 1.00 0.18 H new ATOM 0 HD13 LEU A 119 23.045 -19.912 10.578 1.00 0.18 H new ATOM 0 HD21 LEU A 119 22.591 -21.103 13.323 1.00 0.15 H new ATOM 0 HD22 LEU A 119 23.042 -19.409 13.013 1.00 0.15 H new ATOM 0 HD23 LEU A 119 21.608 -19.782 13.999 1.00 0.15 H new ATOM 1980 N ALA A 120 19.976 -20.356 8.748 1.00 0.12 N ATOM 1981 CA ALA A 120 19.581 -21.701 8.309 1.00 0.14 C ATOM 1982 C ALA A 120 20.773 -22.618 8.369 1.00 0.17 C ATOM 1983 O ALA A 120 21.860 -22.285 7.941 1.00 0.16 O ATOM 1984 CB ALA A 120 19.042 -21.645 6.890 1.00 0.11 C ATOM 0 H ALA A 120 20.515 -19.805 8.080 1.00 0.12 H new ATOM 0 HA ALA A 120 18.800 -22.081 8.968 1.00 0.14 H new ATOM 0 HB1 ALA A 120 18.751 -22.646 6.571 1.00 0.11 H new ATOM 0 HB2 ALA A 120 18.174 -20.987 6.856 1.00 0.11 H new ATOM 0 HB3 ALA A 120 19.814 -21.262 6.222 1.00 0.11 H new ATOM 1990 N ARG A 121 20.573 -23.785 8.876 1.00 0.28 N ATOM 1991 CA ARG A 121 21.698 -24.734 8.936 1.00 0.32 C ATOM 1992 C ARG A 121 21.570 -25.639 7.708 1.00 0.27 C ATOM 1993 O ARG A 121 20.677 -26.436 7.601 1.00 0.36 O ATOM 1994 CB ARG A 121 21.619 -25.527 10.246 1.00 0.45 C ATOM 1995 CG ARG A 121 20.173 -25.551 10.767 1.00 0.51 C ATOM 1996 CD ARG A 121 19.966 -26.763 11.680 1.00 0.71 C ATOM 1997 NE ARG A 121 21.277 -27.399 11.980 1.00 1.34 N ATOM 1998 CZ ARG A 121 21.372 -28.700 12.011 1.00 1.62 C ATOM 1999 NH1 ARG A 121 20.360 -29.412 12.422 1.00 1.77 N ATOM 2000 NH2 ARG A 121 22.473 -29.288 11.628 1.00 2.73 N ATOM 0 H ARG A 121 19.686 -24.124 9.250 1.00 0.28 H new ATOM 0 HA ARG A 121 22.666 -24.234 8.924 1.00 0.32 H new ATOM 0 HB2 ARG A 121 21.972 -26.546 10.085 1.00 0.45 H new ATOM 0 HB3 ARG A 121 22.274 -25.077 10.992 1.00 0.45 H new ATOM 0 HG2 ARG A 121 19.959 -24.633 11.314 1.00 0.51 H new ATOM 0 HG3 ARG A 121 19.477 -25.593 9.930 1.00 0.51 H new ATOM 0 HD2 ARG A 121 19.481 -26.453 12.606 1.00 0.71 H new ATOM 0 HD3 ARG A 121 19.304 -27.483 11.199 1.00 0.71 H new ATOM 0 HE ARG A 121 22.098 -26.821 12.161 1.00 1.34 H new ATOM 0 HH11 ARG A 121 19.499 -28.952 12.717 1.00 1.77 H new ATOM 0 HH12 ARG A 121 20.429 -30.429 12.448 1.00 1.77 H new ATOM 0 HH21 ARG A 121 23.263 -28.730 11.303 1.00 2.73 H new ATOM 0 HH22 ARG A 121 22.543 -30.305 11.654 1.00 2.73 H new ATOM 2014 N GLY A 122 22.445 -25.501 6.758 1.00 0.17 N ATOM 2015 CA GLY A 122 22.315 -26.329 5.520 1.00 0.16 C ATOM 2016 C GLY A 122 22.425 -27.817 5.848 1.00 0.45 C ATOM 2017 O GLY A 122 22.034 -28.660 5.065 1.00 0.53 O ATOM 0 H GLY A 122 23.238 -24.860 6.778 1.00 0.17 H new ATOM 0 HA2 GLY A 122 21.357 -26.127 5.041 1.00 0.16 H new ATOM 0 HA3 GLY A 122 23.092 -26.051 4.808 1.00 0.16 H new