USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 797 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 53 GLN : amide:sc= -0.479 X(o=-1.6,f=-1.5) USER MOD Set 1.2: A 61 TYR OH : rot 30:sc= -1.14 USER MOD Single : A 1 MET CE :methyl -167:sc= 0 (180deg=-0.143) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.293 (180deg=-1.33!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.6 K(o=-1.6,f=-4.2!) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -0.681 F(o=-1.2!,f=-0.68) USER MOD Single : A 32 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -1.59 F(o=-2.9,f=-1.6) USER MOD Single : A 35 ASN : amide:sc= -4.85 K(o=-4.8,f=-7.7!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.51) USER MOD Single : A 40 SER OG : rot 180:sc=-0.00209 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 26:sc= 0.0221 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= -0.251 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 138:sc= -0.291 (180deg=-1.1) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -177:sc= 0 (180deg=-0.00768) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.276 K(o=-0.28,f=-1.9!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN :FLIP amide:sc= -0.556 F(o=-1.3,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.560 -21.623 6.286 1.00 25.95 N ATOM 2 CA MET A 1 -3.329 -22.267 4.966 1.00 25.43 C ATOM 3 C MET A 1 -3.379 -21.242 3.836 1.00 24.53 C ATOM 4 O MET A 1 -4.157 -21.381 2.893 1.00 24.54 O ATOM 5 CB MET A 1 -4.398 -23.342 4.755 1.00 25.66 C ATOM 6 CG MET A 1 -4.577 -24.264 5.950 1.00 26.08 C ATOM 7 SD MET A 1 -3.231 -25.454 6.115 1.00 26.31 S ATOM 8 CE MET A 1 -3.642 -26.613 4.814 1.00 26.54 C ATOM 0 H1 MET A 1 -3.181 -22.231 7.040 1.00 25.95 H new ATOM 0 H2 MET A 1 -3.080 -20.701 6.311 1.00 25.95 H new ATOM 0 H3 MET A 1 -4.581 -21.486 6.432 1.00 25.95 H new ATOM 0 HA MET A 1 -2.336 -22.717 4.955 1.00 25.43 H new ATOM 0 HB2 MET A 1 -5.349 -22.858 4.534 1.00 25.66 H new ATOM 0 HB3 MET A 1 -4.134 -23.939 3.882 1.00 25.66 H new ATOM 0 HG2 MET A 1 -4.642 -23.666 6.859 1.00 26.08 H new ATOM 0 HG3 MET A 1 -5.521 -24.800 5.853 1.00 26.08 H new ATOM 0 HE1 MET A 1 -3.047 -27.519 4.932 1.00 26.54 H new ATOM 0 HE2 MET A 1 -4.701 -26.864 4.872 1.00 26.54 H new ATOM 0 HE3 MET A 1 -3.428 -26.163 3.845 1.00 26.54 H new ATOM 20 N SER A 2 -2.543 -20.213 3.942 1.00 23.85 N ATOM 21 CA SER A 2 -2.487 -19.161 2.933 1.00 23.03 C ATOM 22 C SER A 2 -3.814 -18.409 2.852 1.00 22.32 C ATOM 23 O SER A 2 -3.950 -17.315 3.400 1.00 22.51 O ATOM 24 CB SER A 2 -2.132 -19.750 1.565 1.00 23.09 C ATOM 25 OG SER A 2 -0.804 -20.243 1.551 1.00 22.98 O ATOM 0 H SER A 2 -1.894 -20.086 4.718 1.00 23.85 H new ATOM 0 HA SER A 2 -1.710 -18.455 3.226 1.00 23.03 H new ATOM 0 HB2 SER A 2 -2.825 -20.556 1.322 1.00 23.09 H new ATOM 0 HB3 SER A 2 -2.248 -18.987 0.796 1.00 23.09 H new ATOM 0 HG SER A 2 -0.603 -20.615 0.667 1.00 22.98 H new ATOM 31 N SER A 3 -4.787 -19.000 2.168 1.00 21.58 N ATOM 32 CA SER A 3 -6.101 -18.383 2.018 1.00 20.90 C ATOM 33 C SER A 3 -6.771 -18.192 3.375 1.00 20.00 C ATOM 34 O SER A 3 -7.553 -17.261 3.567 1.00 20.06 O ATOM 35 CB SER A 3 -6.989 -19.239 1.114 1.00 21.13 C ATOM 36 OG SER A 3 -7.882 -18.431 0.365 1.00 21.22 O ATOM 0 H SER A 3 -4.691 -19.906 1.708 1.00 21.58 H new ATOM 0 HA SER A 3 -5.964 -17.404 1.560 1.00 20.90 H new ATOM 0 HB2 SER A 3 -6.367 -19.824 0.436 1.00 21.13 H new ATOM 0 HB3 SER A 3 -7.555 -19.947 1.719 1.00 21.13 H new ATOM 0 HG SER A 3 -8.438 -19.001 -0.207 1.00 21.22 H new ATOM 42 N ASP A 4 -6.460 -19.081 4.314 1.00 19.24 N ATOM 43 CA ASP A 4 -7.032 -19.011 5.653 1.00 18.42 C ATOM 44 C ASP A 4 -8.547 -19.177 5.606 1.00 17.51 C ATOM 45 O ASP A 4 -9.111 -19.542 4.574 1.00 17.62 O ATOM 46 CB ASP A 4 -6.673 -17.679 6.316 1.00 18.66 C ATOM 47 CG ASP A 4 -6.345 -17.837 7.789 1.00 18.89 C ATOM 48 OD1 ASP A 4 -5.707 -18.848 8.149 1.00 19.06 O ATOM 49 OD2 ASP A 4 -6.727 -16.949 8.580 1.00 19.02 O ATOM 0 H ASP A 4 -5.815 -19.858 4.171 1.00 19.24 H new ATOM 0 HA ASP A 4 -6.613 -19.826 6.243 1.00 18.42 H new ATOM 0 HB2 ASP A 4 -5.819 -17.238 5.801 1.00 18.66 H new ATOM 0 HB3 ASP A 4 -7.506 -16.984 6.204 1.00 18.66 H new ATOM 54 N GLY A 5 -9.202 -18.909 6.732 1.00 16.72 N ATOM 55 CA GLY A 5 -10.646 -19.037 6.797 1.00 15.87 C ATOM 56 C GLY A 5 -11.362 -17.940 6.034 1.00 15.20 C ATOM 57 O GLY A 5 -12.164 -18.216 5.142 1.00 15.48 O ATOM 0 H GLY A 5 -8.759 -18.606 7.599 1.00 16.72 H new ATOM 0 HA2 GLY A 5 -10.940 -20.006 6.394 1.00 15.87 H new ATOM 0 HA3 GLY A 5 -10.963 -19.016 7.840 1.00 15.87 H new ATOM 61 N GLY A 6 -11.072 -16.690 6.385 1.00 14.42 N ATOM 62 CA GLY A 6 -11.702 -15.564 5.718 1.00 13.83 C ATOM 63 C GLY A 6 -11.500 -15.591 4.211 1.00 12.95 C ATOM 64 O GLY A 6 -10.390 -15.363 3.732 1.00 12.52 O ATOM 0 H GLY A 6 -10.412 -16.437 7.120 1.00 14.42 H new ATOM 0 HA2 GLY A 6 -12.770 -15.567 5.938 1.00 13.83 H new ATOM 0 HA3 GLY A 6 -11.296 -14.635 6.119 1.00 13.83 H new ATOM 68 N PRO A 7 -12.561 -15.871 3.432 1.00 12.83 N ATOM 69 CA PRO A 7 -12.471 -15.923 1.970 1.00 12.18 C ATOM 70 C PRO A 7 -12.369 -14.535 1.346 1.00 11.22 C ATOM 71 O PRO A 7 -12.147 -13.545 2.042 1.00 11.35 O ATOM 72 CB PRO A 7 -13.782 -16.597 1.564 1.00 12.65 C ATOM 73 CG PRO A 7 -14.738 -16.237 2.646 1.00 13.18 C ATOM 74 CD PRO A 7 -13.927 -16.159 3.912 1.00 13.53 C ATOM 0 HA PRO A 7 -11.579 -16.451 1.632 1.00 12.18 H new ATOM 0 HB2 PRO A 7 -14.128 -16.240 0.594 1.00 12.65 H new ATOM 0 HB3 PRO A 7 -13.664 -17.677 1.482 1.00 12.65 H new ATOM 0 HG2 PRO A 7 -15.224 -15.284 2.435 1.00 13.18 H new ATOM 0 HG3 PRO A 7 -15.526 -16.984 2.734 1.00 13.18 H new ATOM 0 HD2 PRO A 7 -14.293 -15.375 4.575 1.00 13.53 H new ATOM 0 HD3 PRO A 7 -13.967 -17.093 4.472 1.00 13.53 H new ATOM 82 N VAL A 8 -12.533 -14.472 0.028 1.00 10.41 N ATOM 83 CA VAL A 8 -12.460 -13.207 -0.692 1.00 9.58 C ATOM 84 C VAL A 8 -13.855 -12.670 -0.997 1.00 8.52 C ATOM 85 O VAL A 8 -14.109 -12.150 -2.084 1.00 8.39 O ATOM 86 CB VAL A 8 -11.677 -13.354 -2.014 1.00 9.72 C ATOM 87 CG1 VAL A 8 -11.234 -11.992 -2.526 1.00 9.38 C ATOM 88 CG2 VAL A 8 -10.480 -14.277 -1.832 1.00 10.03 C ATOM 0 H VAL A 8 -12.717 -15.283 -0.562 1.00 10.41 H new ATOM 0 HA VAL A 8 -11.934 -12.504 -0.045 1.00 9.58 H new ATOM 0 HB VAL A 8 -12.339 -13.800 -2.756 1.00 9.72 H new ATOM 0 HG11 VAL A 8 -10.684 -12.115 -3.459 1.00 9.38 H new ATOM 0 HG12 VAL A 8 -12.110 -11.367 -2.701 1.00 9.38 H new ATOM 0 HG13 VAL A 8 -10.591 -11.516 -1.785 1.00 9.38 H new ATOM 0 HG21 VAL A 8 -9.943 -14.366 -2.776 1.00 10.03 H new ATOM 0 HG22 VAL A 8 -9.815 -13.865 -1.073 1.00 10.03 H new ATOM 0 HG23 VAL A 8 -10.825 -15.262 -1.516 1.00 10.03 H new ATOM 98 N LEU A 9 -14.758 -12.804 -0.030 1.00 8.01 N ATOM 99 CA LEU A 9 -16.129 -12.335 -0.194 1.00 7.14 C ATOM 100 C LEU A 9 -16.376 -11.062 0.609 1.00 6.20 C ATOM 101 O LEU A 9 -17.225 -10.247 0.250 1.00 6.43 O ATOM 102 CB LEU A 9 -17.115 -13.422 0.239 1.00 7.57 C ATOM 103 CG LEU A 9 -18.591 -13.031 0.152 1.00 7.87 C ATOM 104 CD1 LEU A 9 -19.452 -14.252 -0.131 1.00 8.68 C ATOM 105 CD2 LEU A 9 -19.036 -12.348 1.437 1.00 8.06 C ATOM 0 H LEU A 9 -14.565 -13.233 0.875 1.00 8.01 H new ATOM 0 HA LEU A 9 -16.282 -12.109 -1.249 1.00 7.14 H new ATOM 0 HB2 LEU A 9 -16.952 -14.305 -0.378 1.00 7.57 H new ATOM 0 HB3 LEU A 9 -16.890 -13.706 1.267 1.00 7.57 H new ATOM 0 HG LEU A 9 -18.714 -12.328 -0.672 1.00 7.87 H new ATOM 0 HD11 LEU A 9 -20.499 -13.954 -0.189 1.00 8.68 H new ATOM 0 HD12 LEU A 9 -19.149 -14.699 -1.078 1.00 8.68 H new ATOM 0 HD13 LEU A 9 -19.326 -14.980 0.671 1.00 8.68 H new ATOM 0 HD21 LEU A 9 -20.089 -12.076 1.359 1.00 8.06 H new ATOM 0 HD22 LEU A 9 -18.898 -13.029 2.277 1.00 8.06 H new ATOM 0 HD23 LEU A 9 -18.440 -11.449 1.597 1.00 8.06 H new ATOM 117 N GLY A 10 -15.629 -10.897 1.698 1.00 5.40 N ATOM 118 CA GLY A 10 -15.786 -9.720 2.534 1.00 4.65 C ATOM 119 C GLY A 10 -15.647 -8.426 1.754 1.00 3.67 C ATOM 120 O GLY A 10 -16.212 -7.401 2.134 1.00 3.90 O ATOM 0 H GLY A 10 -14.919 -11.557 2.016 1.00 5.40 H new ATOM 0 HA2 GLY A 10 -16.765 -9.747 3.013 1.00 4.65 H new ATOM 0 HA3 GLY A 10 -15.041 -9.742 3.329 1.00 4.65 H new ATOM 124 N GLY A 11 -14.891 -8.474 0.662 1.00 2.98 N ATOM 125 CA GLY A 11 -14.693 -7.291 -0.155 1.00 2.29 C ATOM 126 C GLY A 11 -13.697 -6.326 0.455 1.00 1.82 C ATOM 127 O GLY A 11 -13.335 -6.452 1.625 1.00 2.26 O ATOM 0 H GLY A 11 -14.412 -9.311 0.328 1.00 2.98 H new ATOM 0 HA2 GLY A 11 -14.346 -7.590 -1.144 1.00 2.29 H new ATOM 0 HA3 GLY A 11 -15.648 -6.784 -0.292 1.00 2.29 H new ATOM 131 N VAL A 12 -13.251 -5.358 -0.340 1.00 1.47 N ATOM 132 CA VAL A 12 -12.290 -4.368 0.129 1.00 1.09 C ATOM 133 C VAL A 12 -12.877 -3.524 1.258 1.00 0.92 C ATOM 134 O VAL A 12 -13.570 -2.537 1.016 1.00 1.19 O ATOM 135 CB VAL A 12 -11.834 -3.442 -1.018 1.00 1.46 C ATOM 136 CG1 VAL A 12 -13.024 -2.715 -1.627 1.00 1.77 C ATOM 137 CG2 VAL A 12 -10.787 -2.452 -0.527 1.00 2.13 C ATOM 0 H VAL A 12 -13.540 -5.239 -1.311 1.00 1.47 H new ATOM 0 HA VAL A 12 -11.426 -4.915 0.505 1.00 1.09 H new ATOM 0 HB VAL A 12 -11.379 -4.058 -1.794 1.00 1.46 H new ATOM 0 HG11 VAL A 12 -12.681 -2.067 -2.434 1.00 1.77 H new ATOM 0 HG12 VAL A 12 -13.732 -3.443 -2.023 1.00 1.77 H new ATOM 0 HG13 VAL A 12 -13.513 -2.113 -0.861 1.00 1.77 H new ATOM 0 HG21 VAL A 12 -10.479 -1.809 -1.352 1.00 2.13 H new ATOM 0 HG22 VAL A 12 -11.209 -1.842 0.271 1.00 2.13 H new ATOM 0 HG23 VAL A 12 -9.921 -2.996 -0.149 1.00 2.13 H new ATOM 147 N GLU A 13 -12.593 -3.923 2.494 1.00 0.56 N ATOM 148 CA GLU A 13 -13.091 -3.207 3.662 1.00 0.49 C ATOM 149 C GLU A 13 -12.501 -1.797 3.729 1.00 0.41 C ATOM 150 O GLU A 13 -11.304 -1.631 3.963 1.00 0.41 O ATOM 151 CB GLU A 13 -12.750 -3.977 4.940 1.00 0.64 C ATOM 152 CG GLU A 13 -13.911 -4.078 5.916 1.00 1.16 C ATOM 153 CD GLU A 13 -13.464 -4.459 7.314 1.00 1.47 C ATOM 154 OE1 GLU A 13 -13.135 -3.546 8.101 1.00 2.13 O ATOM 155 OE2 GLU A 13 -13.442 -5.669 7.623 1.00 1.99 O ATOM 0 H GLU A 13 -12.020 -4.739 2.712 1.00 0.56 H new ATOM 0 HA GLU A 13 -14.174 -3.124 3.574 1.00 0.49 H new ATOM 0 HB2 GLU A 13 -12.422 -4.982 4.673 1.00 0.64 H new ATOM 0 HB3 GLU A 13 -11.911 -3.489 5.436 1.00 0.64 H new ATOM 0 HG2 GLU A 13 -14.434 -3.122 5.953 1.00 1.16 H new ATOM 0 HG3 GLU A 13 -14.624 -4.818 5.552 1.00 1.16 H new ATOM 162 N PRO A 14 -13.332 -0.758 3.523 1.00 0.46 N ATOM 163 CA PRO A 14 -12.876 0.634 3.562 1.00 0.47 C ATOM 164 C PRO A 14 -12.606 1.117 4.982 1.00 0.46 C ATOM 165 O PRO A 14 -13.386 0.856 5.897 1.00 0.68 O ATOM 166 CB PRO A 14 -14.047 1.402 2.951 1.00 0.64 C ATOM 167 CG PRO A 14 -15.244 0.574 3.264 1.00 0.70 C ATOM 168 CD PRO A 14 -14.778 -0.857 3.235 1.00 0.61 C ATOM 0 HA PRO A 14 -11.933 0.771 3.033 1.00 0.47 H new ATOM 0 HB2 PRO A 14 -14.133 2.401 3.380 1.00 0.64 H new ATOM 0 HB3 PRO A 14 -13.921 1.526 1.875 1.00 0.64 H new ATOM 0 HG2 PRO A 14 -15.652 0.832 4.241 1.00 0.70 H new ATOM 0 HG3 PRO A 14 -16.036 0.741 2.534 1.00 0.70 H new ATOM 0 HD2 PRO A 14 -15.295 -1.462 3.980 1.00 0.61 H new ATOM 0 HD3 PRO A 14 -14.963 -1.319 2.265 1.00 0.61 H new ATOM 176 N VAL A 15 -11.496 1.827 5.159 1.00 0.42 N ATOM 177 CA VAL A 15 -11.121 2.351 6.464 1.00 0.53 C ATOM 178 C VAL A 15 -10.262 3.601 6.321 1.00 0.67 C ATOM 179 O VAL A 15 -9.501 3.738 5.363 1.00 0.76 O ATOM 180 CB VAL A 15 -10.353 1.305 7.295 1.00 0.81 C ATOM 181 CG1 VAL A 15 -10.151 1.798 8.720 1.00 1.23 C ATOM 182 CG2 VAL A 15 -11.083 -0.029 7.284 1.00 1.59 C ATOM 0 H VAL A 15 -10.840 2.052 4.411 1.00 0.42 H new ATOM 0 HA VAL A 15 -12.046 2.602 6.983 1.00 0.53 H new ATOM 0 HB VAL A 15 -9.372 1.159 6.842 1.00 0.81 H new ATOM 0 HG11 VAL A 15 -9.607 1.046 9.291 1.00 1.23 H new ATOM 0 HG12 VAL A 15 -9.580 2.727 8.706 1.00 1.23 H new ATOM 0 HG13 VAL A 15 -11.121 1.975 9.185 1.00 1.23 H new ATOM 0 HG21 VAL A 15 -10.525 -0.754 7.876 1.00 1.59 H new ATOM 0 HG22 VAL A 15 -12.079 0.098 7.709 1.00 1.59 H new ATOM 0 HG23 VAL A 15 -11.170 -0.388 6.258 1.00 1.59 H new ATOM 192 N GLY A 16 -10.391 4.510 7.277 1.00 1.01 N ATOM 193 CA GLY A 16 -9.622 5.741 7.241 1.00 1.30 C ATOM 194 C GLY A 16 -9.268 6.245 8.626 1.00 1.05 C ATOM 195 O GLY A 16 -10.134 6.720 9.361 1.00 1.70 O ATOM 0 H GLY A 16 -11.015 4.418 8.079 1.00 1.01 H new ATOM 0 HA2 GLY A 16 -8.707 5.577 6.673 1.00 1.30 H new ATOM 0 HA3 GLY A 16 -10.192 6.506 6.714 1.00 1.30 H new ATOM 199 N ASN A 17 -7.992 6.141 8.984 1.00 1.08 N ATOM 200 CA ASN A 17 -7.526 6.590 10.290 1.00 1.11 C ATOM 201 C ASN A 17 -6.008 6.481 10.395 1.00 0.99 C ATOM 202 O ASN A 17 -5.472 5.418 10.708 1.00 1.45 O ATOM 203 CB ASN A 17 -8.187 5.769 11.399 1.00 1.70 C ATOM 204 CG ASN A 17 -9.397 6.466 11.992 1.00 2.22 C ATOM 205 OD1 ASN A 17 -9.567 7.676 11.841 1.00 2.67 O ATOM 206 ND2 ASN A 17 -10.247 5.703 12.669 1.00 2.90 N ATOM 0 H ASN A 17 -7.263 5.750 8.388 1.00 1.08 H new ATOM 0 HA ASN A 17 -7.804 7.637 10.407 1.00 1.11 H new ATOM 0 HB2 ASN A 17 -8.488 4.801 11.000 1.00 1.70 H new ATOM 0 HB3 ASN A 17 -7.459 5.576 12.187 1.00 1.70 H new ATOM 0 HD21 ASN A 17 -11.080 6.116 13.089 1.00 2.90 H new ATOM 0 HD22 ASN A 17 -10.067 4.704 12.769 1.00 2.90 H new ATOM 213 N GLU A 18 -5.322 7.590 10.133 1.00 0.79 N ATOM 214 CA GLU A 18 -3.864 7.622 10.199 1.00 1.20 C ATOM 215 C GLU A 18 -3.361 7.167 11.567 1.00 1.03 C ATOM 216 O GLU A 18 -2.215 6.736 11.703 1.00 1.58 O ATOM 217 CB GLU A 18 -3.353 9.033 9.901 1.00 1.66 C ATOM 218 CG GLU A 18 -3.784 10.066 10.930 1.00 1.92 C ATOM 219 CD GLU A 18 -3.345 11.470 10.565 1.00 2.52 C ATOM 220 OE1 GLU A 18 -4.113 12.170 9.871 1.00 2.94 O ATOM 221 OE2 GLU A 18 -2.235 11.871 10.972 1.00 3.00 O ATOM 0 H GLU A 18 -5.752 8.478 9.873 1.00 0.79 H new ATOM 0 HA GLU A 18 -3.480 6.932 9.448 1.00 1.20 H new ATOM 0 HB2 GLU A 18 -2.264 9.013 9.852 1.00 1.66 H new ATOM 0 HB3 GLU A 18 -3.711 9.340 8.918 1.00 1.66 H new ATOM 0 HG2 GLU A 18 -4.869 10.043 11.030 1.00 1.92 H new ATOM 0 HG3 GLU A 18 -3.369 9.800 11.902 1.00 1.92 H new ATOM 228 N ASN A 19 -4.220 7.266 12.579 1.00 0.58 N ATOM 229 CA ASN A 19 -3.858 6.865 13.938 1.00 0.55 C ATOM 230 C ASN A 19 -3.187 5.493 13.949 1.00 0.51 C ATOM 231 O ASN A 19 -2.318 5.223 14.778 1.00 0.71 O ATOM 232 CB ASN A 19 -5.100 6.844 14.832 1.00 0.53 C ATOM 233 CG ASN A 19 -5.263 8.126 15.624 1.00 1.03 C ATOM 234 OD1 ASN A 19 -5.067 8.147 16.840 1.00 1.51 O ATOM 235 ND2 ASN A 19 -5.625 9.204 14.939 1.00 1.58 N ATOM 0 H ASN A 19 -5.172 7.620 12.484 1.00 0.58 H new ATOM 0 HA ASN A 19 -3.148 7.596 14.325 1.00 0.55 H new ATOM 0 HB2 ASN A 19 -5.985 6.686 14.216 1.00 0.53 H new ATOM 0 HB3 ASN A 19 -5.035 6.001 15.520 1.00 0.53 H new ATOM 0 HD21 ASN A 19 -5.751 10.095 15.419 1.00 1.58 H new ATOM 0 HD22 ASN A 19 -5.777 9.141 13.932 1.00 1.58 H new ATOM 242 N ASP A 20 -3.592 4.633 13.020 1.00 0.38 N ATOM 243 CA ASP A 20 -3.036 3.300 12.916 1.00 0.35 C ATOM 244 C ASP A 20 -1.589 3.359 12.458 1.00 0.30 C ATOM 245 O ASP A 20 -1.288 3.232 11.271 1.00 0.27 O ATOM 246 CB ASP A 20 -3.848 2.459 11.945 1.00 0.39 C ATOM 247 CG ASP A 20 -5.342 2.697 12.065 1.00 0.75 C ATOM 248 OD1 ASP A 20 -5.777 3.234 13.105 1.00 1.06 O ATOM 249 OD2 ASP A 20 -6.076 2.348 11.116 1.00 1.70 O ATOM 0 H ASP A 20 -4.309 4.843 12.326 1.00 0.38 H new ATOM 0 HA ASP A 20 -3.075 2.839 13.903 1.00 0.35 H new ATOM 0 HB2 ASP A 20 -3.530 2.681 10.926 1.00 0.39 H new ATOM 0 HB3 ASP A 20 -3.638 1.404 12.122 1.00 0.39 H new ATOM 254 N LEU A 21 -0.704 3.560 13.416 1.00 0.32 N ATOM 255 CA LEU A 21 0.729 3.648 13.146 1.00 0.30 C ATOM 256 C LEU A 21 1.201 2.491 12.271 1.00 0.24 C ATOM 257 O LEU A 21 2.061 2.667 11.407 1.00 0.24 O ATOM 258 CB LEU A 21 1.515 3.665 14.459 1.00 0.36 C ATOM 259 CG LEU A 21 1.480 2.358 15.254 1.00 0.42 C ATOM 260 CD1 LEU A 21 2.676 1.487 14.900 1.00 0.61 C ATOM 261 CD2 LEU A 21 1.448 2.642 16.748 1.00 0.60 C ATOM 0 H LEU A 21 -0.950 3.667 14.400 1.00 0.32 H new ATOM 0 HA LEU A 21 0.911 4.577 12.606 1.00 0.30 H new ATOM 0 HB2 LEU A 21 2.554 3.911 14.239 1.00 0.36 H new ATOM 0 HB3 LEU A 21 1.124 4.465 15.088 1.00 0.36 H new ATOM 0 HG LEU A 21 0.571 1.818 14.989 1.00 0.42 H new ATOM 0 HD11 LEU A 21 2.635 0.562 15.475 1.00 0.61 H new ATOM 0 HD12 LEU A 21 2.654 1.254 13.835 1.00 0.61 H new ATOM 0 HD13 LEU A 21 3.597 2.020 15.136 1.00 0.61 H new ATOM 0 HD21 LEU A 21 1.423 1.701 17.297 1.00 0.60 H new ATOM 0 HD22 LEU A 21 2.338 3.204 17.031 1.00 0.60 H new ATOM 0 HD23 LEU A 21 0.559 3.226 16.988 1.00 0.60 H new ATOM 273 N HIS A 22 0.636 1.311 12.497 1.00 0.22 N ATOM 274 CA HIS A 22 1.001 0.130 11.723 1.00 0.20 C ATOM 275 C HIS A 22 0.673 0.328 10.246 1.00 0.17 C ATOM 276 O HIS A 22 1.542 0.206 9.382 1.00 0.17 O ATOM 277 CB HIS A 22 0.265 -1.102 12.255 1.00 0.24 C ATOM 278 CG HIS A 22 0.556 -2.352 11.490 1.00 0.40 C ATOM 279 ND1 HIS A 22 -0.129 -2.949 10.493 1.00 0.75 N flip ATOM 280 CD2 HIS A 22 1.662 -3.143 11.722 1.00 0.55 C flip ATOM 281 CE1 HIS A 22 0.566 -4.078 10.138 1.00 0.89 C flip ATOM 282 NE2 HIS A 22 1.644 -4.173 10.894 1.00 0.74 N flip ATOM 0 H HIS A 22 -0.076 1.146 13.209 1.00 0.22 H new ATOM 0 HA HIS A 22 2.075 -0.023 11.825 1.00 0.20 H new ATOM 0 HB2 HIS A 22 0.537 -1.254 13.299 1.00 0.24 H new ATOM 0 HB3 HIS A 22 -0.808 -0.912 12.230 1.00 0.24 H new ATOM 0 HD2 HIS A 22 2.423 -2.951 12.464 1.00 0.55 H new ATOM 0 HE1 HIS A 22 0.278 -4.776 9.365 1.00 0.89 H new ATOM 0 HE2 HIS A 22 2.343 -4.914 10.847 1.00 0.74 H new ATOM 291 N LEU A 23 -0.590 0.633 9.968 1.00 0.18 N ATOM 292 CA LEU A 23 -1.043 0.846 8.599 1.00 0.17 C ATOM 293 C LEU A 23 -0.255 1.968 7.932 1.00 0.15 C ATOM 294 O LEU A 23 0.144 1.858 6.771 1.00 0.14 O ATOM 295 CB LEU A 23 -2.538 1.174 8.583 1.00 0.22 C ATOM 296 CG LEU A 23 -3.413 0.258 9.444 1.00 0.35 C ATOM 297 CD1 LEU A 23 -4.884 0.595 9.254 1.00 0.86 C ATOM 298 CD2 LEU A 23 -3.153 -1.206 9.110 1.00 0.29 C ATOM 0 H LEU A 23 -1.319 0.738 10.674 1.00 0.18 H new ATOM 0 HA LEU A 23 -0.873 -0.073 8.038 1.00 0.17 H new ATOM 0 HB2 LEU A 23 -2.672 2.202 8.921 1.00 0.22 H new ATOM 0 HB3 LEU A 23 -2.893 1.128 7.554 1.00 0.22 H new ATOM 0 HG LEU A 23 -3.153 0.421 10.490 1.00 0.35 H new ATOM 0 HD11 LEU A 23 -5.491 -0.065 9.873 1.00 0.86 H new ATOM 0 HD12 LEU A 23 -5.061 1.630 9.546 1.00 0.86 H new ATOM 0 HD13 LEU A 23 -5.155 0.462 8.207 1.00 0.86 H new ATOM 0 HD21 LEU A 23 -3.785 -1.839 9.733 1.00 0.29 H new ATOM 0 HD22 LEU A 23 -3.382 -1.386 8.060 1.00 0.29 H new ATOM 0 HD23 LEU A 23 -2.106 -1.442 9.298 1.00 0.29 H new ATOM 310 N VAL A 24 -0.026 3.047 8.673 1.00 0.16 N ATOM 311 CA VAL A 24 0.720 4.181 8.150 1.00 0.17 C ATOM 312 C VAL A 24 2.177 3.806 7.927 1.00 0.15 C ATOM 313 O VAL A 24 2.798 4.247 6.964 1.00 0.17 O ATOM 314 CB VAL A 24 0.633 5.397 9.091 1.00 0.22 C ATOM 315 CG1 VAL A 24 1.509 6.539 8.592 1.00 0.24 C ATOM 316 CG2 VAL A 24 -0.811 5.845 9.222 1.00 0.26 C ATOM 0 H VAL A 24 -0.346 3.158 9.635 1.00 0.16 H new ATOM 0 HA VAL A 24 0.270 4.455 7.196 1.00 0.17 H new ATOM 0 HB VAL A 24 1.002 5.103 10.074 1.00 0.22 H new ATOM 0 HG11 VAL A 24 1.429 7.385 9.275 1.00 0.24 H new ATOM 0 HG12 VAL A 24 2.546 6.208 8.545 1.00 0.24 H new ATOM 0 HG13 VAL A 24 1.180 6.843 7.598 1.00 0.24 H new ATOM 0 HG21 VAL A 24 -0.866 6.705 9.889 1.00 0.26 H new ATOM 0 HG22 VAL A 24 -1.197 6.121 8.241 1.00 0.26 H new ATOM 0 HG23 VAL A 24 -1.409 5.030 9.631 1.00 0.26 H new ATOM 326 N ASP A 25 2.714 2.974 8.813 1.00 0.16 N ATOM 327 CA ASP A 25 4.096 2.528 8.691 1.00 0.16 C ATOM 328 C ASP A 25 4.312 1.906 7.320 1.00 0.14 C ATOM 329 O ASP A 25 5.371 2.058 6.713 1.00 0.16 O ATOM 330 CB ASP A 25 4.429 1.516 9.786 1.00 0.18 C ATOM 331 CG ASP A 25 5.921 1.310 9.951 1.00 0.21 C ATOM 332 OD1 ASP A 25 6.494 0.490 9.204 1.00 1.00 O ATOM 333 OD2 ASP A 25 6.518 1.970 10.828 1.00 1.00 O ATOM 0 H ASP A 25 2.216 2.597 9.619 1.00 0.16 H new ATOM 0 HA ASP A 25 4.757 3.387 8.804 1.00 0.16 H new ATOM 0 HB2 ASP A 25 4.006 1.856 10.731 1.00 0.18 H new ATOM 0 HB3 ASP A 25 3.958 0.562 9.550 1.00 0.18 H new ATOM 338 N LEU A 26 3.283 1.219 6.831 1.00 0.12 N ATOM 339 CA LEU A 26 3.346 0.591 5.520 1.00 0.12 C ATOM 340 C LEU A 26 3.390 1.661 4.438 1.00 0.12 C ATOM 341 O LEU A 26 4.196 1.588 3.512 1.00 0.15 O ATOM 342 CB LEU A 26 2.146 -0.331 5.300 1.00 0.12 C ATOM 343 CG LEU A 26 1.890 -1.358 6.408 1.00 0.14 C ATOM 344 CD1 LEU A 26 1.346 -2.649 5.817 1.00 0.20 C ATOM 345 CD2 LEU A 26 3.156 -1.637 7.208 1.00 0.13 C ATOM 0 H LEU A 26 2.400 1.085 7.323 1.00 0.12 H new ATOM 0 HA LEU A 26 4.253 -0.012 5.467 1.00 0.12 H new ATOM 0 HB2 LEU A 26 1.254 0.284 5.186 1.00 0.12 H new ATOM 0 HB3 LEU A 26 2.288 -0.864 4.360 1.00 0.12 H new ATOM 0 HG LEU A 26 1.148 -0.939 7.088 1.00 0.14 H new ATOM 0 HD11 LEU A 26 1.169 -3.369 6.616 1.00 0.20 H new ATOM 0 HD12 LEU A 26 0.409 -2.445 5.298 1.00 0.20 H new ATOM 0 HD13 LEU A 26 2.069 -3.060 5.112 1.00 0.20 H new ATOM 0 HD21 LEU A 26 2.941 -2.369 7.986 1.00 0.13 H new ATOM 0 HD22 LEU A 26 3.927 -2.029 6.544 1.00 0.13 H new ATOM 0 HD23 LEU A 26 3.507 -0.713 7.667 1.00 0.13 H new ATOM 357 N ALA A 27 2.530 2.669 4.570 1.00 0.13 N ATOM 358 CA ALA A 27 2.504 3.761 3.603 1.00 0.15 C ATOM 359 C ALA A 27 3.855 4.465 3.582 1.00 0.15 C ATOM 360 O ALA A 27 4.444 4.681 2.523 1.00 0.17 O ATOM 361 CB ALA A 27 1.399 4.748 3.934 1.00 0.17 C ATOM 0 H ALA A 27 1.851 2.751 5.327 1.00 0.13 H new ATOM 0 HA ALA A 27 2.303 3.347 2.615 1.00 0.15 H new ATOM 0 HB1 ALA A 27 1.399 5.554 3.200 1.00 0.17 H new ATOM 0 HB2 ALA A 27 0.436 4.237 3.913 1.00 0.17 H new ATOM 0 HB3 ALA A 27 1.567 5.163 4.928 1.00 0.17 H new ATOM 367 N ARG A 28 4.348 4.795 4.772 1.00 0.16 N ATOM 368 CA ARG A 28 5.639 5.448 4.917 1.00 0.18 C ATOM 369 C ARG A 28 6.741 4.534 4.399 1.00 0.17 C ATOM 370 O ARG A 28 7.733 4.991 3.829 1.00 0.19 O ATOM 371 CB ARG A 28 5.887 5.794 6.388 1.00 0.20 C ATOM 372 CG ARG A 28 5.394 7.176 6.781 1.00 0.23 C ATOM 373 CD ARG A 28 6.389 7.891 7.679 1.00 0.56 C ATOM 374 NE ARG A 28 6.141 9.330 7.736 1.00 1.47 N ATOM 375 CZ ARG A 28 6.913 10.190 8.395 1.00 2.05 C ATOM 376 NH1 ARG A 28 7.981 9.762 9.056 1.00 2.09 N ATOM 377 NH2 ARG A 28 6.616 11.482 8.394 1.00 3.12 N ATOM 0 H ARG A 28 3.867 4.618 5.654 1.00 0.16 H new ATOM 0 HA ARG A 28 5.641 6.369 4.335 1.00 0.18 H new ATOM 0 HB2 ARG A 28 5.395 5.050 7.015 1.00 0.20 H new ATOM 0 HB3 ARG A 28 6.955 5.727 6.593 1.00 0.20 H new ATOM 0 HG2 ARG A 28 5.221 7.770 5.884 1.00 0.23 H new ATOM 0 HG3 ARG A 28 4.437 7.089 7.295 1.00 0.23 H new ATOM 0 HD2 ARG A 28 6.334 7.474 8.685 1.00 0.56 H new ATOM 0 HD3 ARG A 28 7.400 7.712 7.314 1.00 0.56 H new ATOM 0 HE ARG A 28 5.328 9.697 7.241 1.00 1.47 H new ATOM 0 HH11 ARG A 28 8.214 8.769 9.061 1.00 2.09 H new ATOM 0 HH12 ARG A 28 8.569 10.426 9.559 1.00 2.09 H new ATOM 0 HH21 ARG A 28 5.796 11.816 7.888 1.00 3.12 H new ATOM 0 HH22 ARG A 28 7.208 12.142 8.899 1.00 3.12 H new ATOM 391 N PHE A 29 6.543 3.235 4.592 1.00 0.17 N ATOM 392 CA PHE A 29 7.494 2.231 4.141 1.00 0.17 C ATOM 393 C PHE A 29 7.621 2.272 2.624 1.00 0.17 C ATOM 394 O PHE A 29 8.717 2.183 2.075 1.00 0.22 O ATOM 395 CB PHE A 29 7.028 0.846 4.598 1.00 0.18 C ATOM 396 CG PHE A 29 7.783 -0.299 3.985 1.00 0.21 C ATOM 397 CD1 PHE A 29 9.162 -0.260 3.873 1.00 1.16 C ATOM 398 CD2 PHE A 29 7.107 -1.417 3.523 1.00 1.30 C ATOM 399 CE1 PHE A 29 9.854 -1.316 3.310 1.00 1.16 C ATOM 400 CE2 PHE A 29 7.792 -2.474 2.958 1.00 1.36 C ATOM 401 CZ PHE A 29 9.168 -2.424 2.852 1.00 0.42 C ATOM 0 H PHE A 29 5.723 2.852 5.063 1.00 0.17 H new ATOM 0 HA PHE A 29 8.472 2.441 4.574 1.00 0.17 H new ATOM 0 HB2 PHE A 29 7.119 0.786 5.683 1.00 0.18 H new ATOM 0 HB3 PHE A 29 5.970 0.736 4.360 1.00 0.18 H new ATOM 0 HD1 PHE A 29 9.703 0.604 4.229 1.00 1.16 H new ATOM 0 HD2 PHE A 29 6.031 -1.462 3.606 1.00 1.30 H new ATOM 0 HE1 PHE A 29 10.930 -1.275 3.228 1.00 1.16 H new ATOM 0 HE2 PHE A 29 7.253 -3.338 2.600 1.00 1.36 H new ATOM 0 HZ PHE A 29 9.707 -3.250 2.412 1.00 0.42 H new ATOM 411 N ALA A 30 6.482 2.411 1.959 1.00 0.16 N ATOM 412 CA ALA A 30 6.443 2.469 0.503 1.00 0.17 C ATOM 413 C ALA A 30 7.316 3.600 -0.031 1.00 0.17 C ATOM 414 O ALA A 30 8.307 3.361 -0.721 1.00 0.17 O ATOM 415 CB ALA A 30 5.010 2.637 0.021 1.00 0.21 C ATOM 0 H ALA A 30 5.569 2.486 2.407 1.00 0.16 H new ATOM 0 HA ALA A 30 6.840 1.529 0.119 1.00 0.17 H new ATOM 0 HB1 ALA A 30 4.995 2.679 -1.068 1.00 0.21 H new ATOM 0 HB2 ALA A 30 4.411 1.792 0.360 1.00 0.21 H new ATOM 0 HB3 ALA A 30 4.596 3.561 0.425 1.00 0.21 H new ATOM 421 N VAL A 31 6.940 4.835 0.292 1.00 0.18 N ATOM 422 CA VAL A 31 7.687 6.005 -0.157 1.00 0.19 C ATOM 423 C VAL A 31 9.163 5.906 0.218 1.00 0.18 C ATOM 424 O VAL A 31 10.016 6.525 -0.419 1.00 0.20 O ATOM 425 CB VAL A 31 7.104 7.303 0.436 1.00 0.23 C ATOM 426 CG1 VAL A 31 7.787 8.522 -0.168 1.00 0.33 C ATOM 427 CG2 VAL A 31 5.598 7.363 0.219 1.00 0.36 C ATOM 0 H VAL A 31 6.123 5.050 0.863 1.00 0.18 H new ATOM 0 HA VAL A 31 7.598 6.034 -1.243 1.00 0.19 H new ATOM 0 HB VAL A 31 7.292 7.305 1.510 1.00 0.23 H new ATOM 0 HG11 VAL A 31 7.362 9.428 0.263 1.00 0.33 H new ATOM 0 HG12 VAL A 31 8.855 8.484 0.047 1.00 0.33 H new ATOM 0 HG13 VAL A 31 7.634 8.527 -1.247 1.00 0.33 H new ATOM 0 HG21 VAL A 31 5.206 8.287 0.645 1.00 0.36 H new ATOM 0 HG22 VAL A 31 5.383 7.336 -0.849 1.00 0.36 H new ATOM 0 HG23 VAL A 31 5.126 6.510 0.706 1.00 0.36 H new ATOM 437 N THR A 32 9.459 5.127 1.252 1.00 0.19 N ATOM 438 CA THR A 32 10.833 4.953 1.705 1.00 0.20 C ATOM 439 C THR A 32 11.562 3.920 0.851 1.00 0.18 C ATOM 440 O THR A 32 12.483 4.258 0.106 1.00 0.19 O ATOM 441 CB THR A 32 10.853 4.531 3.175 1.00 0.22 C ATOM 442 OG1 THR A 32 10.295 5.543 3.994 1.00 0.30 O ATOM 443 CG2 THR A 32 12.242 4.232 3.700 1.00 0.22 C ATOM 0 H THR A 32 8.767 4.607 1.791 1.00 0.19 H new ATOM 0 HA THR A 32 11.350 5.907 1.601 1.00 0.20 H new ATOM 0 HB THR A 32 10.264 3.615 3.217 1.00 0.22 H new ATOM 0 HG1 THR A 32 9.319 5.456 4.002 1.00 0.30 H new ATOM 0 HG21 THR A 32 12.180 3.939 4.748 1.00 0.22 H new ATOM 0 HG22 THR A 32 12.682 3.420 3.122 1.00 0.22 H new ATOM 0 HG23 THR A 32 12.865 5.122 3.608 1.00 0.22 H new ATOM 451 N GLU A 33 11.147 2.661 0.963 1.00 0.17 N ATOM 452 CA GLU A 33 11.763 1.580 0.199 1.00 0.18 C ATOM 453 C GLU A 33 11.912 1.970 -1.268 1.00 0.18 C ATOM 454 O GLU A 33 12.930 1.684 -1.897 1.00 0.20 O ATOM 455 CB GLU A 33 10.929 0.303 0.318 1.00 0.21 C ATOM 456 CG GLU A 33 11.517 -0.882 -0.432 1.00 0.25 C ATOM 457 CD GLU A 33 12.585 -1.605 0.365 1.00 0.72 C ATOM 458 OE1 GLU A 33 12.608 -1.449 1.604 1.00 1.45 O ATOM 459 OE2 GLU A 33 13.397 -2.328 -0.249 1.00 1.47 O ATOM 0 H GLU A 33 10.387 2.364 1.575 1.00 0.17 H new ATOM 0 HA GLU A 33 12.755 1.396 0.611 1.00 0.18 H new ATOM 0 HB2 GLU A 33 10.829 0.042 1.371 1.00 0.21 H new ATOM 0 HB3 GLU A 33 9.925 0.499 -0.059 1.00 0.21 H new ATOM 0 HG2 GLU A 33 10.719 -1.581 -0.681 1.00 0.25 H new ATOM 0 HG3 GLU A 33 11.943 -0.536 -1.374 1.00 0.25 H new ATOM 466 N HIS A 34 10.893 2.635 -1.801 1.00 0.19 N ATOM 467 CA HIS A 34 10.918 3.075 -3.187 1.00 0.21 C ATOM 468 C HIS A 34 11.977 4.151 -3.383 1.00 0.21 C ATOM 469 O HIS A 34 12.788 4.077 -4.303 1.00 0.21 O ATOM 470 CB HIS A 34 9.547 3.607 -3.605 1.00 0.25 C ATOM 471 CG HIS A 34 9.423 3.845 -5.078 1.00 0.29 C ATOM 472 ND1 HIS A 34 10.294 4.383 -5.965 1.00 0.36 N flip ATOM 473 CD2 HIS A 34 8.295 3.519 -5.803 1.00 0.30 C flip ATOM 474 CE1 HIS A 34 9.683 4.371 -7.194 1.00 0.39 C flip ATOM 475 NE2 HIS A 34 8.479 3.844 -7.070 1.00 0.35 N flip ATOM 0 H HIS A 34 10.042 2.880 -1.294 1.00 0.19 H new ATOM 0 HA HIS A 34 11.167 2.219 -3.814 1.00 0.21 H new ATOM 0 HB2 HIS A 34 8.780 2.897 -3.294 1.00 0.25 H new ATOM 0 HB3 HIS A 34 9.351 4.540 -3.076 1.00 0.25 H new ATOM 0 HD2 HIS A 34 7.401 3.068 -5.398 1.00 0.30 H new ATOM 0 HE1 HIS A 34 10.117 4.734 -8.114 1.00 0.39 H new ATOM 0 HE2 HIS A 34 7.805 3.710 -7.824 1.00 0.35 H new ATOM 484 N ASN A 35 11.968 5.149 -2.504 1.00 0.22 N ATOM 485 CA ASN A 35 12.935 6.237 -2.578 1.00 0.26 C ATOM 486 C ASN A 35 14.357 5.709 -2.416 1.00 0.27 C ATOM 487 O ASN A 35 15.313 6.317 -2.895 1.00 0.35 O ATOM 488 CB ASN A 35 12.640 7.283 -1.502 1.00 0.33 C ATOM 489 CG ASN A 35 11.540 8.243 -1.914 1.00 0.42 C ATOM 490 OD1 ASN A 35 10.544 7.841 -2.515 1.00 1.34 O ATOM 491 ND2 ASN A 35 11.717 9.518 -1.594 1.00 1.03 N ATOM 0 H ASN A 35 11.303 5.226 -1.734 1.00 0.22 H new ATOM 0 HA ASN A 35 12.849 6.703 -3.560 1.00 0.26 H new ATOM 0 HB2 ASN A 35 12.352 6.780 -0.579 1.00 0.33 H new ATOM 0 HB3 ASN A 35 13.548 7.846 -1.288 1.00 0.33 H new ATOM 0 HD21 ASN A 35 11.011 10.210 -1.847 1.00 1.03 H new ATOM 0 HD22 ASN A 35 12.559 9.807 -1.095 1.00 1.03 H new ATOM 498 N LYS A 36 14.489 4.571 -1.737 1.00 0.25 N ATOM 499 CA LYS A 36 15.795 3.962 -1.513 1.00 0.30 C ATOM 500 C LYS A 36 16.396 3.467 -2.825 1.00 0.30 C ATOM 501 O LYS A 36 17.561 3.733 -3.124 1.00 0.36 O ATOM 502 CB LYS A 36 15.676 2.802 -0.523 1.00 0.35 C ATOM 503 CG LYS A 36 16.833 2.720 0.460 1.00 0.92 C ATOM 504 CD LYS A 36 16.375 2.217 1.819 1.00 1.62 C ATOM 505 CE LYS A 36 17.503 1.525 2.566 1.00 2.01 C ATOM 506 NZ LYS A 36 17.016 0.358 3.352 1.00 2.92 N ATOM 0 H LYS A 36 13.708 4.054 -1.334 1.00 0.25 H new ATOM 0 HA LYS A 36 16.456 4.721 -1.095 1.00 0.30 H new ATOM 0 HB2 LYS A 36 14.744 2.904 0.033 1.00 0.35 H new ATOM 0 HB3 LYS A 36 15.615 1.866 -1.078 1.00 0.35 H new ATOM 0 HG2 LYS A 36 17.601 2.055 0.065 1.00 0.92 H new ATOM 0 HG3 LYS A 36 17.289 3.704 0.570 1.00 0.92 H new ATOM 0 HD2 LYS A 36 16.004 3.053 2.412 1.00 1.62 H new ATOM 0 HD3 LYS A 36 15.544 1.524 1.690 1.00 1.62 H new ATOM 0 HE2 LYS A 36 18.259 1.193 1.855 1.00 2.01 H new ATOM 0 HE3 LYS A 36 17.986 2.237 3.235 1.00 2.01 H new ATOM 0 HZ1 LYS A 36 17.816 -0.086 3.846 1.00 2.92 H new ATOM 0 HZ2 LYS A 36 16.313 0.678 4.049 1.00 2.92 H new ATOM 0 HZ3 LYS A 36 16.578 -0.334 2.711 1.00 2.92 H new ATOM 520 N LYS A 37 15.598 2.744 -3.604 1.00 0.32 N ATOM 521 CA LYS A 37 16.056 2.212 -4.883 1.00 0.40 C ATOM 522 C LYS A 37 15.926 3.256 -5.991 1.00 0.42 C ATOM 523 O LYS A 37 16.657 3.219 -6.980 1.00 0.88 O ATOM 524 CB LYS A 37 15.262 0.955 -5.249 1.00 0.52 C ATOM 525 CG LYS A 37 16.111 -0.304 -5.314 1.00 1.27 C ATOM 526 CD LYS A 37 15.279 -1.554 -5.070 1.00 1.97 C ATOM 527 CE LYS A 37 15.171 -2.408 -6.324 1.00 2.75 C ATOM 528 NZ LYS A 37 15.228 -3.862 -6.012 1.00 3.27 N ATOM 0 H LYS A 37 14.632 2.513 -3.373 1.00 0.32 H new ATOM 0 HA LYS A 37 17.110 1.951 -4.782 1.00 0.40 H new ATOM 0 HB2 LYS A 37 14.468 0.810 -4.516 1.00 0.52 H new ATOM 0 HB3 LYS A 37 14.780 1.108 -6.215 1.00 0.52 H new ATOM 0 HG2 LYS A 37 16.590 -0.370 -6.291 1.00 1.27 H new ATOM 0 HG3 LYS A 37 16.907 -0.245 -4.572 1.00 1.27 H new ATOM 0 HD2 LYS A 37 15.728 -2.140 -4.268 1.00 1.97 H new ATOM 0 HD3 LYS A 37 14.281 -1.268 -4.736 1.00 1.97 H new ATOM 0 HE2 LYS A 37 14.236 -2.183 -6.837 1.00 2.75 H new ATOM 0 HE3 LYS A 37 15.980 -2.152 -7.009 1.00 2.75 H new ATOM 0 HZ1 LYS A 37 15.151 -4.409 -6.893 1.00 3.27 H new ATOM 0 HZ2 LYS A 37 16.131 -4.082 -5.545 1.00 3.27 H new ATOM 0 HZ3 LYS A 37 14.442 -4.112 -5.379 1.00 3.27 H new ATOM 542 N ALA A 38 14.989 4.182 -5.819 1.00 0.46 N ATOM 543 CA ALA A 38 14.761 5.233 -6.804 1.00 0.47 C ATOM 544 C ALA A 38 15.619 6.465 -6.522 1.00 0.45 C ATOM 545 O ALA A 38 15.671 7.391 -7.332 1.00 0.51 O ATOM 546 CB ALA A 38 13.290 5.616 -6.833 1.00 0.53 C ATOM 0 H ALA A 38 14.375 4.226 -5.006 1.00 0.46 H new ATOM 0 HA ALA A 38 15.050 4.841 -7.779 1.00 0.47 H new ATOM 0 HB1 ALA A 38 13.133 6.401 -7.572 1.00 0.53 H new ATOM 0 HB2 ALA A 38 12.692 4.744 -7.098 1.00 0.53 H new ATOM 0 HB3 ALA A 38 12.989 5.978 -5.850 1.00 0.53 H new ATOM 552 N ASN A 39 16.285 6.479 -5.369 1.00 0.61 N ATOM 553 CA ASN A 39 17.131 7.605 -4.991 1.00 0.71 C ATOM 554 C ASN A 39 16.287 8.860 -4.776 1.00 0.70 C ATOM 555 O ASN A 39 16.615 9.938 -5.270 1.00 0.75 O ATOM 556 CB ASN A 39 18.196 7.858 -6.062 1.00 0.73 C ATOM 557 CG ASN A 39 19.560 7.335 -5.654 1.00 1.11 C ATOM 558 OD1 ASN A 39 19.990 7.511 -4.514 1.00 1.79 O ATOM 559 ND2 ASN A 39 20.249 6.686 -6.587 1.00 1.56 N ATOM 0 H ASN A 39 16.254 5.725 -4.683 1.00 0.61 H new ATOM 0 HA ASN A 39 17.632 7.359 -4.054 1.00 0.71 H new ATOM 0 HB2 ASN A 39 17.891 7.382 -6.994 1.00 0.73 H new ATOM 0 HB3 ASN A 39 18.264 8.928 -6.258 1.00 0.73 H new ATOM 0 HD21 ASN A 39 21.173 6.311 -6.371 1.00 1.56 H new ATOM 0 HD22 ASN A 39 19.854 6.563 -7.519 1.00 1.56 H new ATOM 566 N SER A 40 15.196 8.705 -4.031 1.00 0.78 N ATOM 567 CA SER A 40 14.299 9.817 -3.745 1.00 0.93 C ATOM 568 C SER A 40 13.660 10.345 -5.025 1.00 0.67 C ATOM 569 O SER A 40 14.247 10.266 -6.104 1.00 0.71 O ATOM 570 CB SER A 40 15.053 10.941 -3.036 1.00 1.46 C ATOM 571 OG SER A 40 16.033 10.423 -2.155 1.00 1.88 O ATOM 0 H SER A 40 14.913 7.818 -3.615 1.00 0.78 H new ATOM 0 HA SER A 40 13.508 9.452 -3.090 1.00 0.93 H new ATOM 0 HB2 SER A 40 15.529 11.586 -3.775 1.00 1.46 H new ATOM 0 HB3 SER A 40 14.349 11.560 -2.479 1.00 1.46 H new ATOM 0 HG SER A 40 16.502 11.163 -1.716 1.00 1.88 H new ATOM 577 N LEU A 41 12.454 10.885 -4.894 1.00 0.72 N ATOM 578 CA LEU A 41 11.730 11.430 -6.039 1.00 0.68 C ATOM 579 C LEU A 41 10.638 12.396 -5.585 1.00 0.60 C ATOM 580 O LEU A 41 10.441 13.452 -6.186 1.00 0.87 O ATOM 581 CB LEU A 41 11.125 10.298 -6.878 1.00 1.02 C ATOM 582 CG LEU A 41 9.878 9.633 -6.286 1.00 0.91 C ATOM 583 CD1 LEU A 41 9.157 8.815 -7.347 1.00 1.04 C ATOM 584 CD2 LEU A 41 10.249 8.757 -5.099 1.00 1.03 C ATOM 0 H LEU A 41 11.956 10.958 -4.007 1.00 0.72 H new ATOM 0 HA LEU A 41 12.439 11.983 -6.656 1.00 0.68 H new ATOM 0 HB2 LEU A 41 10.872 10.693 -7.862 1.00 1.02 H new ATOM 0 HB3 LEU A 41 11.887 9.533 -7.028 1.00 1.02 H new ATOM 0 HG LEU A 41 9.205 10.416 -5.936 1.00 0.91 H new ATOM 0 HD11 LEU A 41 8.274 8.350 -6.910 1.00 1.04 H new ATOM 0 HD12 LEU A 41 8.855 9.467 -8.167 1.00 1.04 H new ATOM 0 HD13 LEU A 41 9.825 8.041 -7.726 1.00 1.04 H new ATOM 0 HD21 LEU A 41 9.349 8.294 -4.693 1.00 1.03 H new ATOM 0 HD22 LEU A 41 10.942 7.981 -5.422 1.00 1.03 H new ATOM 0 HD23 LEU A 41 10.721 9.368 -4.330 1.00 1.03 H new ATOM 596 N LEU A 42 9.930 12.025 -4.523 1.00 0.54 N ATOM 597 CA LEU A 42 8.858 12.855 -3.988 1.00 0.67 C ATOM 598 C LEU A 42 8.957 12.952 -2.469 1.00 0.61 C ATOM 599 O LEU A 42 9.900 12.440 -1.865 1.00 0.72 O ATOM 600 CB LEU A 42 7.498 12.281 -4.388 1.00 0.76 C ATOM 601 CG LEU A 42 7.300 10.799 -4.064 1.00 1.23 C ATOM 602 CD1 LEU A 42 6.886 10.619 -2.610 1.00 2.07 C ATOM 603 CD2 LEU A 42 6.269 10.183 -4.997 1.00 1.91 C ATOM 0 H LEU A 42 10.080 11.153 -4.015 1.00 0.54 H new ATOM 0 HA LEU A 42 8.959 13.857 -4.406 1.00 0.67 H new ATOM 0 HB2 LEU A 42 6.717 12.854 -3.888 1.00 0.76 H new ATOM 0 HB3 LEU A 42 7.361 12.424 -5.460 1.00 0.76 H new ATOM 0 HG LEU A 42 8.249 10.284 -4.214 1.00 1.23 H new ATOM 0 HD11 LEU A 42 6.750 9.558 -2.399 1.00 2.07 H new ATOM 0 HD12 LEU A 42 7.661 11.022 -1.958 1.00 2.07 H new ATOM 0 HD13 LEU A 42 5.950 11.148 -2.430 1.00 2.07 H new ATOM 0 HD21 LEU A 42 6.141 9.129 -4.752 1.00 1.91 H new ATOM 0 HD22 LEU A 42 5.317 10.701 -4.880 1.00 1.91 H new ATOM 0 HD23 LEU A 42 6.609 10.277 -6.028 1.00 1.91 H new ATOM 615 N GLU A 43 7.980 13.612 -1.855 1.00 0.48 N ATOM 616 CA GLU A 43 7.964 13.774 -0.407 1.00 0.46 C ATOM 617 C GLU A 43 6.567 13.529 0.155 1.00 0.38 C ATOM 618 O GLU A 43 5.617 14.234 -0.186 1.00 0.39 O ATOM 619 CB GLU A 43 8.440 15.177 -0.025 1.00 0.57 C ATOM 620 CG GLU A 43 8.989 15.269 1.389 1.00 0.64 C ATOM 621 CD GLU A 43 10.188 16.192 1.489 1.00 1.17 C ATOM 622 OE1 GLU A 43 9.990 17.425 1.475 1.00 1.56 O ATOM 623 OE2 GLU A 43 11.324 15.681 1.582 1.00 2.01 O ATOM 0 H GLU A 43 7.191 14.042 -2.337 1.00 0.48 H new ATOM 0 HA GLU A 43 8.642 13.037 0.022 1.00 0.46 H new ATOM 0 HB2 GLU A 43 9.212 15.493 -0.727 1.00 0.57 H new ATOM 0 HB3 GLU A 43 7.609 15.875 -0.129 1.00 0.57 H new ATOM 0 HG2 GLU A 43 8.205 15.624 2.057 1.00 0.64 H new ATOM 0 HG3 GLU A 43 9.272 14.273 1.731 1.00 0.64 H new ATOM 630 N PHE A 44 6.451 12.527 1.021 1.00 0.39 N ATOM 631 CA PHE A 44 5.171 12.188 1.637 1.00 0.33 C ATOM 632 C PHE A 44 4.589 13.393 2.367 1.00 0.32 C ATOM 633 O PHE A 44 5.258 14.018 3.189 1.00 0.39 O ATOM 634 CB PHE A 44 5.345 11.020 2.611 1.00 0.40 C ATOM 635 CG PHE A 44 4.072 10.613 3.297 1.00 0.38 C ATOM 636 CD1 PHE A 44 3.645 11.270 4.439 1.00 1.25 C ATOM 637 CD2 PHE A 44 3.304 9.573 2.799 1.00 1.25 C ATOM 638 CE1 PHE A 44 2.475 10.898 5.073 1.00 1.24 C ATOM 639 CE2 PHE A 44 2.132 9.196 3.429 1.00 1.28 C ATOM 640 CZ PHE A 44 1.718 9.859 4.567 1.00 0.42 C ATOM 0 H PHE A 44 7.228 11.935 1.313 1.00 0.39 H new ATOM 0 HA PHE A 44 4.479 11.893 0.848 1.00 0.33 H new ATOM 0 HB2 PHE A 44 5.746 10.163 2.069 1.00 0.40 H new ATOM 0 HB3 PHE A 44 6.083 11.294 3.365 1.00 0.40 H new ATOM 0 HD1 PHE A 44 4.233 12.083 4.839 1.00 1.25 H new ATOM 0 HD2 PHE A 44 3.624 9.051 1.909 1.00 1.25 H new ATOM 0 HE1 PHE A 44 2.153 11.419 5.963 1.00 1.24 H new ATOM 0 HE2 PHE A 44 1.541 8.384 3.031 1.00 1.28 H new ATOM 0 HZ PHE A 44 0.803 9.566 5.061 1.00 0.42 H new ATOM 650 N GLU A 45 3.338 13.715 2.057 1.00 0.29 N ATOM 651 CA GLU A 45 2.666 14.842 2.677 1.00 0.33 C ATOM 652 C GLU A 45 1.750 14.367 3.801 1.00 0.29 C ATOM 653 O GLU A 45 1.779 14.906 4.907 1.00 0.37 O ATOM 654 CB GLU A 45 1.870 15.613 1.618 1.00 0.39 C ATOM 655 CG GLU A 45 0.827 16.554 2.193 1.00 1.02 C ATOM 656 CD GLU A 45 0.865 17.931 1.559 1.00 1.24 C ATOM 657 OE1 GLU A 45 0.693 18.020 0.325 1.00 1.89 O ATOM 658 OE2 GLU A 45 1.068 18.919 2.296 1.00 1.58 O ATOM 0 H GLU A 45 2.771 13.208 1.378 1.00 0.29 H new ATOM 0 HA GLU A 45 3.413 15.507 3.111 1.00 0.33 H new ATOM 0 HB2 GLU A 45 2.564 16.187 1.004 1.00 0.39 H new ATOM 0 HB3 GLU A 45 1.376 14.899 0.958 1.00 0.39 H new ATOM 0 HG2 GLU A 45 -0.163 16.121 2.052 1.00 1.02 H new ATOM 0 HG3 GLU A 45 0.983 16.649 3.268 1.00 1.02 H new ATOM 665 N LYS A 46 0.932 13.359 3.511 1.00 0.21 N ATOM 666 CA LYS A 46 0.008 12.825 4.504 1.00 0.23 C ATOM 667 C LYS A 46 -0.696 11.571 3.992 1.00 0.24 C ATOM 668 O LYS A 46 -0.323 11.012 2.960 1.00 0.27 O ATOM 669 CB LYS A 46 -1.025 13.887 4.864 1.00 0.27 C ATOM 670 CG LYS A 46 -1.882 14.302 3.683 1.00 0.29 C ATOM 671 CD LYS A 46 -2.975 15.265 4.104 1.00 0.42 C ATOM 672 CE LYS A 46 -4.280 14.981 3.377 1.00 0.55 C ATOM 673 NZ LYS A 46 -5.439 15.644 4.037 1.00 1.26 N ATOM 0 H LYS A 46 0.891 12.899 2.602 1.00 0.21 H new ATOM 0 HA LYS A 46 0.581 12.551 5.390 1.00 0.23 H new ATOM 0 HB2 LYS A 46 -1.668 13.506 5.657 1.00 0.27 H new ATOM 0 HB3 LYS A 46 -0.514 14.764 5.261 1.00 0.27 H new ATOM 0 HG2 LYS A 46 -1.256 14.770 2.923 1.00 0.29 H new ATOM 0 HG3 LYS A 46 -2.329 13.418 3.228 1.00 0.29 H new ATOM 0 HD2 LYS A 46 -3.133 15.189 5.180 1.00 0.42 H new ATOM 0 HD3 LYS A 46 -2.659 16.288 3.899 1.00 0.42 H new ATOM 0 HE2 LYS A 46 -4.204 15.326 2.346 1.00 0.55 H new ATOM 0 HE3 LYS A 46 -4.449 13.905 3.342 1.00 0.55 H new ATOM 0 HZ1 LYS A 46 -6.309 15.426 3.511 1.00 1.26 H new ATOM 0 HZ2 LYS A 46 -5.528 15.297 5.013 1.00 1.26 H new ATOM 0 HZ3 LYS A 46 -5.290 16.673 4.048 1.00 1.26 H new ATOM 687 N LEU A 47 -1.720 11.137 4.723 1.00 0.29 N ATOM 688 CA LEU A 47 -2.491 9.954 4.356 1.00 0.36 C ATOM 689 C LEU A 47 -3.937 10.338 4.047 1.00 0.34 C ATOM 690 O LEU A 47 -4.444 11.334 4.563 1.00 0.53 O ATOM 691 CB LEU A 47 -2.446 8.925 5.491 1.00 0.52 C ATOM 692 CG LEU A 47 -3.404 7.740 5.346 1.00 0.60 C ATOM 693 CD1 LEU A 47 -2.899 6.772 4.287 1.00 0.92 C ATOM 694 CD2 LEU A 47 -3.574 7.030 6.680 1.00 1.17 C ATOM 0 H LEU A 47 -2.036 11.592 5.580 1.00 0.29 H new ATOM 0 HA LEU A 47 -2.051 9.512 3.462 1.00 0.36 H new ATOM 0 HB2 LEU A 47 -1.429 8.540 5.569 1.00 0.52 H new ATOM 0 HB3 LEU A 47 -2.666 9.435 6.429 1.00 0.52 H new ATOM 0 HG LEU A 47 -4.376 8.118 5.029 1.00 0.60 H new ATOM 0 HD11 LEU A 47 -3.593 5.936 4.198 1.00 0.92 H new ATOM 0 HD12 LEU A 47 -2.826 7.287 3.329 1.00 0.92 H new ATOM 0 HD13 LEU A 47 -1.916 6.399 4.574 1.00 0.92 H new ATOM 0 HD21 LEU A 47 -4.258 6.190 6.560 1.00 1.17 H new ATOM 0 HD22 LEU A 47 -2.606 6.664 7.023 1.00 1.17 H new ATOM 0 HD23 LEU A 47 -3.980 7.727 7.414 1.00 1.17 H new ATOM 706 N VAL A 48 -4.597 9.551 3.202 1.00 0.23 N ATOM 707 CA VAL A 48 -5.983 9.828 2.833 1.00 0.25 C ATOM 708 C VAL A 48 -6.919 8.703 3.265 1.00 0.29 C ATOM 709 O VAL A 48 -7.898 8.942 3.972 1.00 0.43 O ATOM 710 CB VAL A 48 -6.141 10.053 1.315 1.00 0.31 C ATOM 711 CG1 VAL A 48 -7.420 10.823 1.024 1.00 0.42 C ATOM 712 CG2 VAL A 48 -4.933 10.781 0.744 1.00 0.39 C ATOM 0 H VAL A 48 -4.198 8.722 2.762 1.00 0.23 H new ATOM 0 HA VAL A 48 -6.256 10.743 3.358 1.00 0.25 H new ATOM 0 HB VAL A 48 -6.205 9.079 0.830 1.00 0.31 H new ATOM 0 HG11 VAL A 48 -7.517 10.974 -0.051 1.00 0.42 H new ATOM 0 HG12 VAL A 48 -8.277 10.257 1.390 1.00 0.42 H new ATOM 0 HG13 VAL A 48 -7.384 11.791 1.524 1.00 0.42 H new ATOM 0 HG21 VAL A 48 -5.069 10.927 -0.328 1.00 0.39 H new ATOM 0 HG22 VAL A 48 -4.828 11.750 1.232 1.00 0.39 H new ATOM 0 HG23 VAL A 48 -4.035 10.188 0.918 1.00 0.39 H new ATOM 722 N SER A 49 -6.626 7.477 2.833 1.00 0.23 N ATOM 723 CA SER A 49 -7.468 6.338 3.183 1.00 0.29 C ATOM 724 C SER A 49 -6.643 5.071 3.383 1.00 0.20 C ATOM 725 O SER A 49 -5.428 5.066 3.184 1.00 0.16 O ATOM 726 CB SER A 49 -8.518 6.106 2.097 1.00 0.42 C ATOM 727 OG SER A 49 -9.703 6.835 2.367 1.00 0.55 O ATOM 0 H SER A 49 -5.822 7.250 2.248 1.00 0.23 H new ATOM 0 HA SER A 49 -7.964 6.570 4.126 1.00 0.29 H new ATOM 0 HB2 SER A 49 -8.116 6.405 1.129 1.00 0.42 H new ATOM 0 HB3 SER A 49 -8.749 5.043 2.032 1.00 0.42 H new ATOM 0 HG SER A 49 -9.487 7.619 2.914 1.00 0.55 H new ATOM 733 N VAL A 50 -7.320 3.996 3.778 1.00 0.21 N ATOM 734 CA VAL A 50 -6.666 2.715 4.008 1.00 0.20 C ATOM 735 C VAL A 50 -7.677 1.572 3.966 1.00 0.24 C ATOM 736 O VAL A 50 -8.592 1.508 4.788 1.00 0.43 O ATOM 737 CB VAL A 50 -5.931 2.694 5.363 1.00 0.29 C ATOM 738 CG1 VAL A 50 -6.893 2.996 6.502 1.00 0.39 C ATOM 739 CG2 VAL A 50 -5.239 1.355 5.582 1.00 0.38 C ATOM 0 H VAL A 50 -8.326 3.989 3.946 1.00 0.21 H new ATOM 0 HA VAL A 50 -5.936 2.580 3.210 1.00 0.20 H new ATOM 0 HB VAL A 50 -5.167 3.472 5.347 1.00 0.29 H new ATOM 0 HG11 VAL A 50 -6.353 2.976 7.449 1.00 0.39 H new ATOM 0 HG12 VAL A 50 -7.332 3.983 6.355 1.00 0.39 H new ATOM 0 HG13 VAL A 50 -7.684 2.246 6.519 1.00 0.39 H new ATOM 0 HG21 VAL A 50 -4.727 1.363 6.544 1.00 0.38 H new ATOM 0 HG22 VAL A 50 -5.981 0.556 5.572 1.00 0.38 H new ATOM 0 HG23 VAL A 50 -4.513 1.186 4.786 1.00 0.38 H new ATOM 749 N LYS A 51 -7.506 0.671 3.005 1.00 0.20 N ATOM 750 CA LYS A 51 -8.400 -0.471 2.860 1.00 0.21 C ATOM 751 C LYS A 51 -7.703 -1.755 3.291 1.00 0.20 C ATOM 752 O LYS A 51 -6.507 -1.754 3.578 1.00 0.38 O ATOM 753 CB LYS A 51 -8.877 -0.594 1.412 1.00 0.25 C ATOM 754 CG LYS A 51 -9.953 0.413 1.036 1.00 0.47 C ATOM 755 CD LYS A 51 -9.842 0.827 -0.422 1.00 0.92 C ATOM 756 CE LYS A 51 -10.694 2.051 -0.719 1.00 1.10 C ATOM 757 NZ LYS A 51 -11.340 1.967 -2.057 1.00 1.82 N ATOM 0 H LYS A 51 -6.756 0.710 2.315 1.00 0.20 H new ATOM 0 HA LYS A 51 -9.265 -0.312 3.503 1.00 0.21 H new ATOM 0 HB2 LYS A 51 -8.024 -0.467 0.746 1.00 0.25 H new ATOM 0 HB3 LYS A 51 -9.261 -1.601 1.249 1.00 0.25 H new ATOM 0 HG2 LYS A 51 -10.937 -0.019 1.219 1.00 0.47 H new ATOM 0 HG3 LYS A 51 -9.868 1.293 1.673 1.00 0.47 H new ATOM 0 HD2 LYS A 51 -8.800 1.040 -0.663 1.00 0.92 H new ATOM 0 HD3 LYS A 51 -10.154 0.001 -1.061 1.00 0.92 H new ATOM 0 HE2 LYS A 51 -11.461 2.154 0.048 1.00 1.10 H new ATOM 0 HE3 LYS A 51 -10.073 2.946 -0.671 1.00 1.10 H new ATOM 0 HZ1 LYS A 51 -11.912 2.820 -2.221 1.00 1.82 H new ATOM 0 HZ2 LYS A 51 -10.608 1.894 -2.792 1.00 1.82 H new ATOM 0 HZ3 LYS A 51 -11.953 1.128 -2.095 1.00 1.82 H new ATOM 771 N GLN A 52 -8.455 -2.851 3.341 1.00 0.19 N ATOM 772 CA GLN A 52 -7.896 -4.135 3.745 1.00 0.21 C ATOM 773 C GLN A 52 -8.647 -5.297 3.102 1.00 0.20 C ATOM 774 O GLN A 52 -9.877 -5.329 3.093 1.00 0.25 O ATOM 775 CB GLN A 52 -7.937 -4.272 5.268 1.00 0.28 C ATOM 776 CG GLN A 52 -9.344 -4.289 5.839 1.00 0.34 C ATOM 777 CD GLN A 52 -9.366 -4.578 7.327 1.00 0.43 C ATOM 778 OE1 GLN A 52 -9.972 -3.841 8.105 1.00 0.58 O ATOM 779 NE2 GLN A 52 -8.702 -5.655 7.731 1.00 0.48 N ATOM 0 H GLN A 52 -9.448 -2.875 3.108 1.00 0.19 H new ATOM 0 HA GLN A 52 -6.861 -4.169 3.404 1.00 0.21 H new ATOM 0 HB2 GLN A 52 -7.426 -5.191 5.556 1.00 0.28 H new ATOM 0 HB3 GLN A 52 -7.383 -3.446 5.714 1.00 0.28 H new ATOM 0 HG2 GLN A 52 -9.819 -3.326 5.653 1.00 0.34 H new ATOM 0 HG3 GLN A 52 -9.935 -5.042 5.318 1.00 0.34 H new ATOM 0 HE21 GLN A 52 -8.214 -6.238 7.051 1.00 0.48 H new ATOM 0 HE22 GLN A 52 -8.681 -5.899 8.721 1.00 0.48 H new ATOM 788 N GLN A 53 -7.891 -6.254 2.574 1.00 0.23 N ATOM 789 CA GLN A 53 -8.472 -7.429 1.936 1.00 0.26 C ATOM 790 C GLN A 53 -7.744 -8.689 2.388 1.00 0.24 C ATOM 791 O GLN A 53 -6.570 -8.639 2.758 1.00 0.32 O ATOM 792 CB GLN A 53 -8.410 -7.299 0.413 1.00 0.31 C ATOM 793 CG GLN A 53 -8.887 -8.537 -0.329 1.00 0.48 C ATOM 794 CD GLN A 53 -9.443 -8.217 -1.701 1.00 1.32 C ATOM 795 OE1 GLN A 53 -10.481 -7.564 -1.827 1.00 2.28 O ATOM 796 NE2 GLN A 53 -8.756 -8.674 -2.741 1.00 1.69 N ATOM 0 H GLN A 53 -6.871 -6.238 2.576 1.00 0.23 H new ATOM 0 HA GLN A 53 -9.518 -7.502 2.234 1.00 0.26 H new ATOM 0 HB2 GLN A 53 -9.016 -6.447 0.106 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -7.383 -7.083 0.118 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -8.057 -9.236 -0.432 1.00 0.48 H new ATOM 0 HG3 GLN A 53 -9.654 -9.037 0.262 1.00 0.48 H new ATOM 0 HE21 GLN A 53 -7.901 -9.211 -2.592 1.00 1.69 H new ATOM 0 HE22 GLN A 53 -9.083 -8.489 -3.689 1.00 1.69 H new ATOM 805 N VAL A 54 -8.443 -9.818 2.363 1.00 0.27 N ATOM 806 CA VAL A 54 -7.855 -11.084 2.779 1.00 0.26 C ATOM 807 C VAL A 54 -7.658 -12.027 1.596 1.00 0.26 C ATOM 808 O VAL A 54 -8.544 -12.186 0.755 1.00 0.29 O ATOM 809 CB VAL A 54 -8.723 -11.779 3.847 1.00 0.31 C ATOM 810 CG1 VAL A 54 -10.107 -12.089 3.296 1.00 0.37 C ATOM 811 CG2 VAL A 54 -8.044 -13.044 4.351 1.00 0.31 C ATOM 0 H VAL A 54 -9.415 -9.882 2.060 1.00 0.27 H new ATOM 0 HA VAL A 54 -6.880 -10.852 3.208 1.00 0.26 H new ATOM 0 HB VAL A 54 -8.839 -11.098 4.690 1.00 0.31 H new ATOM 0 HG11 VAL A 54 -10.704 -12.579 4.065 1.00 0.37 H new ATOM 0 HG12 VAL A 54 -10.595 -11.162 2.994 1.00 0.37 H new ATOM 0 HG13 VAL A 54 -10.016 -12.748 2.433 1.00 0.37 H new ATOM 0 HG21 VAL A 54 -8.673 -13.519 5.104 1.00 0.31 H new ATOM 0 HG22 VAL A 54 -7.892 -13.731 3.519 1.00 0.31 H new ATOM 0 HG23 VAL A 54 -7.080 -12.789 4.792 1.00 0.31 H new ATOM 821 N VAL A 55 -6.488 -12.653 1.547 1.00 0.23 N ATOM 822 CA VAL A 55 -6.150 -13.591 0.481 1.00 0.24 C ATOM 823 C VAL A 55 -5.144 -14.618 1.010 1.00 0.23 C ATOM 824 O VAL A 55 -5.418 -15.283 2.010 1.00 0.24 O ATOM 825 CB VAL A 55 -5.578 -12.844 -0.744 1.00 0.23 C ATOM 826 CG1 VAL A 55 -6.676 -12.072 -1.456 1.00 0.29 C ATOM 827 CG2 VAL A 55 -4.453 -11.908 -0.325 1.00 0.25 C ATOM 0 H VAL A 55 -5.750 -12.527 2.240 1.00 0.23 H new ATOM 0 HA VAL A 55 -7.054 -14.109 0.160 1.00 0.24 H new ATOM 0 HB VAL A 55 -5.170 -13.581 -1.435 1.00 0.23 H new ATOM 0 HG11 VAL A 55 -6.256 -11.552 -2.317 1.00 0.29 H new ATOM 0 HG12 VAL A 55 -7.448 -12.764 -1.792 1.00 0.29 H new ATOM 0 HG13 VAL A 55 -7.113 -11.346 -0.771 1.00 0.29 H new ATOM 0 HG21 VAL A 55 -4.064 -11.391 -1.202 1.00 0.25 H new ATOM 0 HG22 VAL A 55 -4.835 -11.176 0.387 1.00 0.25 H new ATOM 0 HG23 VAL A 55 -3.654 -12.485 0.141 1.00 0.25 H new ATOM 837 N ALA A 56 -3.967 -14.726 0.389 1.00 0.22 N ATOM 838 CA ALA A 56 -2.949 -15.645 0.876 1.00 0.23 C ATOM 839 C ALA A 56 -2.162 -14.980 2.006 1.00 0.22 C ATOM 840 O ALA A 56 -1.032 -15.362 2.312 1.00 0.23 O ATOM 841 CB ALA A 56 -2.021 -16.066 -0.254 1.00 0.24 C ATOM 0 H ALA A 56 -3.702 -14.194 -0.440 1.00 0.22 H new ATOM 0 HA ALA A 56 -3.432 -16.543 1.261 1.00 0.23 H new ATOM 0 HB1 ALA A 56 -1.267 -16.753 0.131 1.00 0.24 H new ATOM 0 HB2 ALA A 56 -2.599 -16.562 -1.034 1.00 0.24 H new ATOM 0 HB3 ALA A 56 -1.531 -15.185 -0.670 1.00 0.24 H new ATOM 847 N GLY A 57 -2.788 -13.971 2.612 1.00 0.21 N ATOM 848 CA GLY A 57 -2.188 -13.227 3.695 1.00 0.21 C ATOM 849 C GLY A 57 -3.011 -11.999 4.025 1.00 0.20 C ATOM 850 O GLY A 57 -4.242 -12.072 4.078 1.00 0.21 O ATOM 0 H GLY A 57 -3.724 -13.655 2.359 1.00 0.21 H new ATOM 0 HA2 GLY A 57 -2.105 -13.863 4.577 1.00 0.21 H new ATOM 0 HA3 GLY A 57 -1.176 -12.929 3.421 1.00 0.21 H new ATOM 854 N THR A 58 -2.349 -10.868 4.233 1.00 0.20 N ATOM 855 CA THR A 58 -3.050 -9.629 4.547 1.00 0.19 C ATOM 856 C THR A 58 -2.683 -8.521 3.565 1.00 0.18 C ATOM 857 O THR A 58 -1.580 -7.976 3.609 1.00 0.23 O ATOM 858 CB THR A 58 -2.735 -9.184 5.974 1.00 0.24 C ATOM 859 OG1 THR A 58 -3.208 -10.133 6.912 1.00 0.30 O ATOM 860 CG2 THR A 58 -3.346 -7.846 6.325 1.00 0.22 C ATOM 0 H THR A 58 -1.333 -10.782 4.190 1.00 0.20 H new ATOM 0 HA THR A 58 -4.119 -9.822 4.461 1.00 0.19 H new ATOM 0 HB THR A 58 -1.650 -9.096 6.019 1.00 0.24 H new ATOM 0 HG1 THR A 58 -2.995 -9.830 7.819 1.00 0.30 H new ATOM 0 HG21 THR A 58 -3.086 -7.585 7.351 1.00 0.22 H new ATOM 0 HG22 THR A 58 -2.963 -7.082 5.648 1.00 0.22 H new ATOM 0 HG23 THR A 58 -4.430 -7.905 6.229 1.00 0.22 H new ATOM 868 N LEU A 59 -3.619 -8.189 2.680 1.00 0.16 N ATOM 869 CA LEU A 59 -3.406 -7.154 1.692 1.00 0.20 C ATOM 870 C LEU A 59 -4.038 -5.843 2.143 1.00 0.15 C ATOM 871 O LEU A 59 -5.153 -5.823 2.663 1.00 0.18 O ATOM 872 CB LEU A 59 -4.013 -7.595 0.367 1.00 0.27 C ATOM 873 CG LEU A 59 -3.318 -7.063 -0.877 1.00 0.33 C ATOM 874 CD1 LEU A 59 -3.581 -5.574 -1.043 1.00 0.89 C ATOM 875 CD2 LEU A 59 -1.824 -7.344 -0.822 1.00 0.40 C ATOM 0 H LEU A 59 -4.537 -8.630 2.633 1.00 0.16 H new ATOM 0 HA LEU A 59 -2.335 -6.993 1.571 1.00 0.20 H new ATOM 0 HB2 LEU A 59 -4.007 -8.684 0.328 1.00 0.27 H new ATOM 0 HB3 LEU A 59 -5.056 -7.281 0.342 1.00 0.27 H new ATOM 0 HG LEU A 59 -3.728 -7.580 -1.744 1.00 0.33 H new ATOM 0 HD11 LEU A 59 -3.075 -5.213 -1.938 1.00 0.89 H new ATOM 0 HD12 LEU A 59 -4.653 -5.402 -1.138 1.00 0.89 H new ATOM 0 HD13 LEU A 59 -3.203 -5.038 -0.172 1.00 0.89 H new ATOM 0 HD21 LEU A 59 -1.347 -6.955 -1.722 1.00 0.40 H new ATOM 0 HD22 LEU A 59 -1.395 -6.859 0.055 1.00 0.40 H new ATOM 0 HD23 LEU A 59 -1.658 -8.419 -0.760 1.00 0.40 H new ATOM 887 N TYR A 60 -3.314 -4.752 1.941 1.00 0.19 N ATOM 888 CA TYR A 60 -3.798 -3.431 2.328 1.00 0.17 C ATOM 889 C TYR A 60 -3.642 -2.432 1.185 1.00 0.20 C ATOM 890 O TYR A 60 -2.564 -2.305 0.603 1.00 0.26 O ATOM 891 CB TYR A 60 -3.036 -2.926 3.555 1.00 0.19 C ATOM 892 CG TYR A 60 -3.355 -3.679 4.829 1.00 0.39 C ATOM 893 CD1 TYR A 60 -4.665 -3.813 5.272 1.00 1.22 C ATOM 894 CD2 TYR A 60 -2.343 -4.250 5.590 1.00 1.41 C ATOM 895 CE1 TYR A 60 -4.956 -4.495 6.437 1.00 1.34 C ATOM 896 CE2 TYR A 60 -2.627 -4.935 6.756 1.00 1.60 C ATOM 897 CZ TYR A 60 -3.935 -5.054 7.176 1.00 1.00 C ATOM 898 OH TYR A 60 -4.222 -5.735 8.337 1.00 1.32 O ATOM 0 H TYR A 60 -2.389 -4.753 1.511 1.00 0.19 H new ATOM 0 HA TYR A 60 -4.857 -3.521 2.569 1.00 0.17 H new ATOM 0 HB2 TYR A 60 -1.966 -2.998 3.361 1.00 0.19 H new ATOM 0 HB3 TYR A 60 -3.263 -1.870 3.702 1.00 0.19 H new ATOM 0 HD1 TYR A 60 -5.468 -3.377 4.696 1.00 1.22 H new ATOM 0 HD2 TYR A 60 -1.317 -4.157 5.265 1.00 1.41 H new ATOM 0 HE1 TYR A 60 -5.980 -4.590 6.768 1.00 1.34 H new ATOM 0 HE2 TYR A 60 -1.829 -5.375 7.335 1.00 1.60 H new ATOM 0 HH TYR A 60 -5.111 -6.142 8.266 1.00 1.32 H new ATOM 908 N TYR A 61 -4.720 -1.719 0.874 1.00 0.20 N ATOM 909 CA TYR A 61 -4.695 -0.723 -0.192 1.00 0.24 C ATOM 910 C TYR A 61 -4.711 0.685 0.394 1.00 0.17 C ATOM 911 O TYR A 61 -5.758 1.189 0.799 1.00 0.19 O ATOM 912 CB TYR A 61 -5.887 -0.905 -1.137 1.00 0.32 C ATOM 913 CG TYR A 61 -6.253 -2.349 -1.393 1.00 0.38 C ATOM 914 CD1 TYR A 61 -5.556 -3.110 -2.323 1.00 1.24 C ATOM 915 CD2 TYR A 61 -7.300 -2.951 -0.707 1.00 1.34 C ATOM 916 CE1 TYR A 61 -5.891 -4.429 -2.562 1.00 1.34 C ATOM 917 CE2 TYR A 61 -7.642 -4.268 -0.939 1.00 1.51 C ATOM 918 CZ TYR A 61 -6.934 -5.004 -1.867 1.00 0.94 C ATOM 919 OH TYR A 61 -7.273 -6.317 -2.102 1.00 1.25 O ATOM 0 H TYR A 61 -5.620 -1.812 1.344 1.00 0.20 H new ATOM 0 HA TYR A 61 -3.775 -0.862 -0.760 1.00 0.24 H new ATOM 0 HB2 TYR A 61 -6.752 -0.390 -0.718 1.00 0.32 H new ATOM 0 HB3 TYR A 61 -5.660 -0.424 -2.088 1.00 0.32 H new ATOM 0 HD1 TYR A 61 -4.738 -2.663 -2.869 1.00 1.24 H new ATOM 0 HD2 TYR A 61 -7.856 -2.379 0.021 1.00 1.34 H new ATOM 0 HE1 TYR A 61 -5.339 -5.006 -3.289 1.00 1.34 H new ATOM 0 HE2 TYR A 61 -8.459 -4.720 -0.397 1.00 1.51 H new ATOM 0 HH TYR A 61 -6.475 -6.818 -2.372 1.00 1.25 H new ATOM 929 N PHE A 62 -3.540 1.310 0.441 1.00 0.16 N ATOM 930 CA PHE A 62 -3.412 2.659 0.984 1.00 0.14 C ATOM 931 C PHE A 62 -3.561 3.709 -0.106 1.00 0.15 C ATOM 932 O PHE A 62 -3.336 3.436 -1.283 1.00 0.24 O ATOM 933 CB PHE A 62 -2.057 2.831 1.670 1.00 0.20 C ATOM 934 CG PHE A 62 -1.754 1.775 2.692 1.00 0.15 C ATOM 935 CD1 PHE A 62 -2.508 1.674 3.848 1.00 1.19 C ATOM 936 CD2 PHE A 62 -0.708 0.888 2.497 1.00 1.25 C ATOM 937 CE1 PHE A 62 -2.224 0.707 4.793 1.00 1.22 C ATOM 938 CE2 PHE A 62 -0.422 -0.082 3.438 1.00 1.23 C ATOM 939 CZ PHE A 62 -1.180 -0.172 4.587 1.00 0.21 C ATOM 0 H PHE A 62 -2.665 0.905 0.110 1.00 0.16 H new ATOM 0 HA PHE A 62 -4.210 2.797 1.713 1.00 0.14 H new ATOM 0 HB2 PHE A 62 -1.274 2.824 0.912 1.00 0.20 H new ATOM 0 HB3 PHE A 62 -2.026 3.808 2.152 1.00 0.20 H new ATOM 0 HD1 PHE A 62 -3.327 2.358 4.013 1.00 1.19 H new ATOM 0 HD2 PHE A 62 -0.110 0.956 1.600 1.00 1.25 H new ATOM 0 HE1 PHE A 62 -2.818 0.639 5.692 1.00 1.22 H new ATOM 0 HE2 PHE A 62 0.395 -0.770 3.274 1.00 1.23 H new ATOM 0 HZ PHE A 62 -0.957 -0.929 5.324 1.00 0.21 H new ATOM 949 N THR A 63 -3.928 4.915 0.306 1.00 0.15 N ATOM 950 CA THR A 63 -4.096 6.033 -0.613 1.00 0.18 C ATOM 951 C THR A 63 -3.565 7.308 0.030 1.00 0.19 C ATOM 952 O THR A 63 -4.334 8.117 0.545 1.00 0.23 O ATOM 953 CB THR A 63 -5.569 6.202 -0.987 1.00 0.20 C ATOM 954 OG1 THR A 63 -6.258 4.969 -0.880 1.00 0.42 O ATOM 955 CG2 THR A 63 -5.772 6.721 -2.394 1.00 0.56 C ATOM 0 H THR A 63 -4.117 5.145 1.282 1.00 0.15 H new ATOM 0 HA THR A 63 -3.533 5.830 -1.524 1.00 0.18 H new ATOM 0 HB THR A 63 -5.964 6.937 -0.285 1.00 0.20 H new ATOM 0 HG1 THR A 63 -7.199 5.098 -1.122 1.00 0.42 H new ATOM 0 HG21 THR A 63 -6.839 6.818 -2.596 1.00 0.56 H new ATOM 0 HG22 THR A 63 -5.294 7.695 -2.495 1.00 0.56 H new ATOM 0 HG23 THR A 63 -5.330 6.024 -3.106 1.00 0.56 H new ATOM 963 N ILE A 64 -2.246 7.469 0.024 1.00 0.18 N ATOM 964 CA ILE A 64 -1.618 8.625 0.630 1.00 0.19 C ATOM 965 C ILE A 64 -1.247 9.677 -0.410 1.00 0.18 C ATOM 966 O ILE A 64 -1.116 9.374 -1.593 1.00 0.32 O ATOM 967 CB ILE A 64 -0.359 8.205 1.424 1.00 0.23 C ATOM 968 CG1 ILE A 64 0.879 8.120 0.521 1.00 0.31 C ATOM 969 CG2 ILE A 64 -0.590 6.874 2.130 1.00 0.28 C ATOM 970 CD1 ILE A 64 0.742 7.128 -0.613 1.00 1.06 C ATOM 0 H ILE A 64 -1.594 6.808 -0.397 1.00 0.18 H new ATOM 0 HA ILE A 64 -2.344 9.067 1.313 1.00 0.19 H new ATOM 0 HB ILE A 64 -0.173 8.975 2.173 1.00 0.23 H new ATOM 0 HG12 ILE A 64 1.082 9.107 0.105 1.00 0.31 H new ATOM 0 HG13 ILE A 64 1.742 7.846 1.128 1.00 0.31 H new ATOM 0 HG21 ILE A 64 0.307 6.595 2.683 1.00 0.28 H new ATOM 0 HG22 ILE A 64 -1.428 6.969 2.821 1.00 0.28 H new ATOM 0 HG23 ILE A 64 -0.815 6.105 1.391 1.00 0.28 H new ATOM 0 HD11 ILE A 64 1.656 7.125 -1.206 1.00 1.06 H new ATOM 0 HD12 ILE A 64 0.570 6.132 -0.206 1.00 1.06 H new ATOM 0 HD13 ILE A 64 -0.100 7.412 -1.245 1.00 1.06 H new ATOM 982 N GLU A 65 -1.066 10.912 0.044 1.00 0.15 N ATOM 983 CA GLU A 65 -0.696 12.005 -0.845 1.00 0.16 C ATOM 984 C GLU A 65 0.790 12.309 -0.714 1.00 0.17 C ATOM 985 O GLU A 65 1.328 12.375 0.392 1.00 0.19 O ATOM 986 CB GLU A 65 -1.528 13.254 -0.536 1.00 0.19 C ATOM 987 CG GLU A 65 -0.965 14.538 -1.131 1.00 0.27 C ATOM 988 CD GLU A 65 -2.043 15.435 -1.706 1.00 0.66 C ATOM 989 OE1 GLU A 65 -2.706 15.018 -2.678 1.00 1.46 O ATOM 990 OE2 GLU A 65 -2.225 16.555 -1.183 1.00 1.38 O ATOM 0 H GLU A 65 -1.170 11.181 1.023 1.00 0.15 H new ATOM 0 HA GLU A 65 -0.901 11.703 -1.872 1.00 0.16 H new ATOM 0 HB2 GLU A 65 -2.540 13.105 -0.912 1.00 0.19 H new ATOM 0 HB3 GLU A 65 -1.603 13.369 0.545 1.00 0.19 H new ATOM 0 HG2 GLU A 65 -0.418 15.082 -0.361 1.00 0.27 H new ATOM 0 HG3 GLU A 65 -0.249 14.288 -1.914 1.00 0.27 H new ATOM 997 N VAL A 66 1.445 12.490 -1.850 1.00 0.19 N ATOM 998 CA VAL A 66 2.871 12.783 -1.866 1.00 0.23 C ATOM 999 C VAL A 66 3.202 13.827 -2.926 1.00 0.23 C ATOM 1000 O VAL A 66 2.735 13.742 -4.062 1.00 0.25 O ATOM 1001 CB VAL A 66 3.703 11.505 -2.112 1.00 0.27 C ATOM 1002 CG1 VAL A 66 3.231 10.385 -1.197 1.00 0.35 C ATOM 1003 CG2 VAL A 66 3.628 11.068 -3.569 1.00 0.30 C ATOM 0 H VAL A 66 1.013 12.439 -2.773 1.00 0.19 H new ATOM 0 HA VAL A 66 3.131 13.182 -0.886 1.00 0.23 H new ATOM 0 HB VAL A 66 4.745 11.732 -1.885 1.00 0.27 H new ATOM 0 HG11 VAL A 66 3.826 9.490 -1.381 1.00 0.35 H new ATOM 0 HG12 VAL A 66 3.347 10.691 -0.157 1.00 0.35 H new ATOM 0 HG13 VAL A 66 2.181 10.170 -1.397 1.00 0.35 H new ATOM 0 HG21 VAL A 66 4.224 10.166 -3.709 1.00 0.30 H new ATOM 0 HG22 VAL A 66 2.591 10.863 -3.834 1.00 0.30 H new ATOM 0 HG23 VAL A 66 4.016 11.862 -4.207 1.00 0.30 H new ATOM 1013 N LYS A 67 4.005 14.814 -2.548 1.00 0.29 N ATOM 1014 CA LYS A 67 4.389 15.873 -3.468 1.00 0.35 C ATOM 1015 C LYS A 67 5.622 15.482 -4.274 1.00 0.36 C ATOM 1016 O LYS A 67 6.735 15.433 -3.748 1.00 0.41 O ATOM 1017 CB LYS A 67 4.641 17.175 -2.702 1.00 0.56 C ATOM 1018 CG LYS A 67 5.911 17.167 -1.866 1.00 0.72 C ATOM 1019 CD LYS A 67 5.695 17.828 -0.514 1.00 0.99 C ATOM 1020 CE LYS A 67 5.920 19.330 -0.587 1.00 1.22 C ATOM 1021 NZ LYS A 67 5.118 20.061 0.432 1.00 1.71 N ATOM 0 H LYS A 67 4.401 14.902 -1.612 1.00 0.29 H new ATOM 0 HA LYS A 67 3.567 16.029 -4.167 1.00 0.35 H new ATOM 0 HB2 LYS A 67 4.693 17.999 -3.414 1.00 0.56 H new ATOM 0 HB3 LYS A 67 3.790 17.371 -2.049 1.00 0.56 H new ATOM 0 HG2 LYS A 67 6.245 16.140 -1.720 1.00 0.72 H new ATOM 0 HG3 LYS A 67 6.704 17.687 -2.403 1.00 0.72 H new ATOM 0 HD2 LYS A 67 4.681 17.627 -0.167 1.00 0.99 H new ATOM 0 HD3 LYS A 67 6.375 17.392 0.218 1.00 0.99 H new ATOM 0 HE2 LYS A 67 6.978 19.546 -0.440 1.00 1.22 H new ATOM 0 HE3 LYS A 67 5.657 19.689 -1.582 1.00 1.22 H new ATOM 0 HZ1 LYS A 67 5.299 21.082 0.350 1.00 1.71 H new ATOM 0 HZ2 LYS A 67 4.107 19.875 0.276 1.00 1.71 H new ATOM 0 HZ3 LYS A 67 5.387 19.737 1.383 1.00 1.71 H new ATOM 1035 N GLU A 68 5.421 15.212 -5.558 1.00 0.66 N ATOM 1036 CA GLU A 68 6.519 14.838 -6.436 1.00 0.90 C ATOM 1037 C GLU A 68 7.035 16.063 -7.172 1.00 0.98 C ATOM 1038 O GLU A 68 6.272 16.787 -7.811 1.00 1.24 O ATOM 1039 CB GLU A 68 6.076 13.762 -7.429 1.00 1.09 C ATOM 1040 CG GLU A 68 7.105 13.454 -8.509 1.00 1.39 C ATOM 1041 CD GLU A 68 6.538 13.579 -9.910 1.00 1.97 C ATOM 1042 OE1 GLU A 68 6.278 14.720 -10.345 1.00 2.53 O ATOM 1043 OE2 GLU A 68 6.354 12.536 -10.571 1.00 2.49 O ATOM 0 H GLU A 68 4.508 15.245 -6.013 1.00 0.66 H new ATOM 0 HA GLU A 68 7.326 14.426 -5.829 1.00 0.90 H new ATOM 0 HB2 GLU A 68 5.854 12.846 -6.881 1.00 1.09 H new ATOM 0 HB3 GLU A 68 5.149 14.081 -7.905 1.00 1.09 H new ATOM 0 HG2 GLU A 68 7.952 14.132 -8.402 1.00 1.39 H new ATOM 0 HG3 GLU A 68 7.486 12.443 -8.364 1.00 1.39 H new ATOM 1050 N GLY A 69 8.334 16.293 -7.067 1.00 1.12 N ATOM 1051 CA GLY A 69 8.935 17.443 -7.715 1.00 1.21 C ATOM 1052 C GLY A 69 8.223 18.731 -7.364 1.00 1.05 C ATOM 1053 O GLY A 69 8.275 19.187 -6.221 1.00 1.19 O ATOM 0 H GLY A 69 8.984 15.705 -6.545 1.00 1.12 H new ATOM 0 HA2 GLY A 69 9.982 17.517 -7.422 1.00 1.21 H new ATOM 0 HA3 GLY A 69 8.915 17.301 -8.796 1.00 1.21 H new ATOM 1057 N ASP A 70 7.547 19.312 -8.343 1.00 0.94 N ATOM 1058 CA ASP A 70 6.809 20.547 -8.130 1.00 0.97 C ATOM 1059 C ASP A 70 5.312 20.286 -8.228 1.00 0.95 C ATOM 1060 O ASP A 70 4.554 21.132 -8.700 1.00 1.11 O ATOM 1061 CB ASP A 70 7.225 21.602 -9.156 1.00 1.12 C ATOM 1062 CG ASP A 70 8.669 22.034 -8.988 1.00 1.32 C ATOM 1063 OD1 ASP A 70 9.542 21.150 -8.862 1.00 1.85 O ATOM 1064 OD2 ASP A 70 8.927 23.257 -8.982 1.00 1.75 O ATOM 0 H ASP A 70 7.494 18.947 -9.294 1.00 0.94 H new ATOM 0 HA ASP A 70 7.039 20.921 -7.132 1.00 0.97 H new ATOM 0 HB2 ASP A 70 7.082 21.204 -10.161 1.00 1.12 H new ATOM 0 HB3 ASP A 70 6.575 22.472 -9.062 1.00 1.12 H new ATOM 1069 N ALA A 71 4.893 19.102 -7.785 1.00 0.84 N ATOM 1070 CA ALA A 71 3.481 18.735 -7.839 1.00 0.93 C ATOM 1071 C ALA A 71 3.085 17.816 -6.686 1.00 0.64 C ATOM 1072 O ALA A 71 3.894 17.514 -5.809 1.00 0.63 O ATOM 1073 CB ALA A 71 3.163 18.071 -9.171 1.00 1.25 C ATOM 0 H ALA A 71 5.504 18.388 -7.389 1.00 0.84 H new ATOM 0 HA ALA A 71 2.900 19.652 -7.742 1.00 0.93 H new ATOM 0 HB1 ALA A 71 2.107 17.801 -9.200 1.00 1.25 H new ATOM 0 HB2 ALA A 71 3.384 18.763 -9.984 1.00 1.25 H new ATOM 0 HB3 ALA A 71 3.770 17.173 -9.284 1.00 1.25 H new ATOM 1079 N LYS A 72 1.828 17.377 -6.702 1.00 0.59 N ATOM 1080 CA LYS A 72 1.307 16.491 -5.667 1.00 0.45 C ATOM 1081 C LYS A 72 0.291 15.517 -6.255 1.00 0.39 C ATOM 1082 O LYS A 72 -0.522 15.888 -7.102 1.00 0.48 O ATOM 1083 CB LYS A 72 0.662 17.305 -4.545 1.00 0.70 C ATOM 1084 CG LYS A 72 -0.263 18.403 -5.043 1.00 1.04 C ATOM 1085 CD LYS A 72 -0.452 19.490 -3.998 1.00 1.56 C ATOM 1086 CE LYS A 72 -1.610 20.409 -4.352 1.00 1.88 C ATOM 1087 NZ LYS A 72 -1.336 21.821 -3.971 1.00 2.37 N ATOM 0 H LYS A 72 1.150 17.622 -7.424 1.00 0.59 H new ATOM 0 HA LYS A 72 2.139 15.920 -5.256 1.00 0.45 H new ATOM 0 HB2 LYS A 72 0.099 16.633 -3.898 1.00 0.70 H new ATOM 0 HB3 LYS A 72 1.447 17.752 -3.935 1.00 0.70 H new ATOM 0 HG2 LYS A 72 0.147 18.840 -5.954 1.00 1.04 H new ATOM 0 HG3 LYS A 72 -1.231 17.974 -5.303 1.00 1.04 H new ATOM 0 HD2 LYS A 72 -0.633 19.033 -3.025 1.00 1.56 H new ATOM 0 HD3 LYS A 72 0.464 20.075 -3.910 1.00 1.56 H new ATOM 0 HE2 LYS A 72 -1.803 20.353 -5.423 1.00 1.88 H new ATOM 0 HE3 LYS A 72 -2.513 20.066 -3.847 1.00 1.88 H new ATOM 0 HZ1 LYS A 72 -2.150 22.415 -4.229 1.00 2.37 H new ATOM 0 HZ2 LYS A 72 -1.177 21.879 -2.945 1.00 2.37 H new ATOM 0 HZ3 LYS A 72 -0.489 22.158 -4.472 1.00 2.37 H new ATOM 1101 N LYS A 73 0.348 14.266 -5.807 1.00 0.33 N ATOM 1102 CA LYS A 73 -0.563 13.237 -6.297 1.00 0.36 C ATOM 1103 C LYS A 73 -0.693 12.100 -5.287 1.00 0.35 C ATOM 1104 O LYS A 73 0.270 11.752 -4.603 1.00 0.60 O ATOM 1105 CB LYS A 73 -0.089 12.680 -7.652 1.00 0.47 C ATOM 1106 CG LYS A 73 1.340 13.056 -8.034 1.00 1.14 C ATOM 1107 CD LYS A 73 1.439 13.450 -9.498 1.00 1.62 C ATOM 1108 CE LYS A 73 1.017 12.313 -10.413 1.00 1.96 C ATOM 1109 NZ LYS A 73 0.632 12.800 -11.766 1.00 2.46 N ATOM 0 H LYS A 73 1.014 13.941 -5.107 1.00 0.33 H new ATOM 0 HA LYS A 73 -1.540 13.700 -6.433 1.00 0.36 H new ATOM 0 HB2 LYS A 73 -0.170 11.593 -7.631 1.00 0.47 H new ATOM 0 HB3 LYS A 73 -0.764 13.035 -8.431 1.00 0.47 H new ATOM 0 HG2 LYS A 73 1.679 13.883 -7.410 1.00 1.14 H new ATOM 0 HG3 LYS A 73 2.004 12.214 -7.837 1.00 1.14 H new ATOM 0 HD2 LYS A 73 0.810 14.320 -9.684 1.00 1.62 H new ATOM 0 HD3 LYS A 73 2.464 13.742 -9.728 1.00 1.62 H new ATOM 0 HE2 LYS A 73 1.835 11.598 -10.504 1.00 1.96 H new ATOM 0 HE3 LYS A 73 0.177 11.781 -9.967 1.00 1.96 H new ATOM 0 HZ1 LYS A 73 0.351 11.993 -12.359 1.00 2.46 H new ATOM 0 HZ2 LYS A 73 -0.165 13.463 -11.683 1.00 2.46 H new ATOM 0 HZ3 LYS A 73 1.441 13.285 -12.203 1.00 2.46 H new ATOM 1123 N LEU A 74 -1.889 11.527 -5.200 1.00 0.29 N ATOM 1124 CA LEU A 74 -2.146 10.428 -4.276 1.00 0.28 C ATOM 1125 C LEU A 74 -1.621 9.111 -4.839 1.00 0.29 C ATOM 1126 O LEU A 74 -1.978 8.712 -5.948 1.00 0.55 O ATOM 1127 CB LEU A 74 -3.646 10.320 -3.978 1.00 0.40 C ATOM 1128 CG LEU A 74 -4.470 9.552 -5.017 1.00 0.99 C ATOM 1129 CD1 LEU A 74 -5.911 9.405 -4.552 1.00 1.71 C ATOM 1130 CD2 LEU A 74 -4.412 10.251 -6.367 1.00 1.47 C ATOM 0 H LEU A 74 -2.696 11.806 -5.758 1.00 0.29 H new ATOM 0 HA LEU A 74 -1.618 10.636 -3.345 1.00 0.28 H new ATOM 0 HB2 LEU A 74 -3.773 9.836 -3.009 1.00 0.40 H new ATOM 0 HB3 LEU A 74 -4.054 11.327 -3.887 1.00 0.40 H new ATOM 0 HG LEU A 74 -4.042 8.556 -5.128 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -6.481 8.857 -5.302 1.00 1.71 H new ATOM 0 HD12 LEU A 74 -5.935 8.860 -3.608 1.00 1.71 H new ATOM 0 HD13 LEU A 74 -6.351 10.393 -4.412 1.00 1.71 H new ATOM 0 HD21 LEU A 74 -5.003 9.691 -7.092 1.00 1.47 H new ATOM 0 HD22 LEU A 74 -4.814 11.260 -6.272 1.00 1.47 H new ATOM 0 HD23 LEU A 74 -3.377 10.304 -6.705 1.00 1.47 H new ATOM 1142 N TYR A 75 -0.771 8.443 -4.070 1.00 0.18 N ATOM 1143 CA TYR A 75 -0.192 7.173 -4.490 1.00 0.19 C ATOM 1144 C TYR A 75 -0.842 6.009 -3.750 1.00 0.17 C ATOM 1145 O TYR A 75 -0.855 5.973 -2.518 1.00 0.25 O ATOM 1146 CB TYR A 75 1.319 7.173 -4.235 1.00 0.24 C ATOM 1147 CG TYR A 75 2.125 7.905 -5.289 1.00 0.24 C ATOM 1148 CD1 TYR A 75 1.556 8.912 -6.059 1.00 1.26 C ATOM 1149 CD2 TYR A 75 3.460 7.588 -5.511 1.00 1.23 C ATOM 1150 CE1 TYR A 75 2.291 9.580 -7.019 1.00 1.27 C ATOM 1151 CE2 TYR A 75 4.201 8.253 -6.469 1.00 1.25 C ATOM 1152 CZ TYR A 75 3.612 9.247 -7.219 1.00 0.37 C ATOM 1153 OH TYR A 75 4.349 9.911 -8.175 1.00 0.46 O ATOM 0 H TYR A 75 -0.466 8.760 -3.150 1.00 0.18 H new ATOM 0 HA TYR A 75 -0.377 7.050 -5.557 1.00 0.19 H new ATOM 0 HB2 TYR A 75 1.513 7.628 -3.264 1.00 0.24 H new ATOM 0 HB3 TYR A 75 1.667 6.142 -4.178 1.00 0.24 H new ATOM 0 HD1 TYR A 75 0.521 9.177 -5.904 1.00 1.26 H new ATOM 0 HD2 TYR A 75 3.926 6.809 -4.925 1.00 1.23 H new ATOM 0 HE1 TYR A 75 1.832 10.359 -7.609 1.00 1.27 H new ATOM 0 HE2 TYR A 75 5.237 7.995 -6.629 1.00 1.25 H new ATOM 0 HH TYR A 75 5.263 9.557 -8.188 1.00 0.46 H new ATOM 1163 N GLU A 76 -1.377 5.056 -4.507 1.00 0.16 N ATOM 1164 CA GLU A 76 -2.018 3.889 -3.917 1.00 0.16 C ATOM 1165 C GLU A 76 -0.971 2.864 -3.500 1.00 0.14 C ATOM 1166 O GLU A 76 -0.524 2.055 -4.313 1.00 0.19 O ATOM 1167 CB GLU A 76 -3.001 3.251 -4.898 1.00 0.22 C ATOM 1168 CG GLU A 76 -3.690 4.247 -5.819 1.00 0.24 C ATOM 1169 CD GLU A 76 -5.150 3.909 -6.053 1.00 0.64 C ATOM 1170 OE1 GLU A 76 -5.931 3.941 -5.078 1.00 1.15 O ATOM 1171 OE2 GLU A 76 -5.513 3.615 -7.211 1.00 1.50 O ATOM 0 H GLU A 76 -1.379 5.070 -5.527 1.00 0.16 H new ATOM 0 HA GLU A 76 -2.569 4.218 -3.036 1.00 0.16 H new ATOM 0 HB2 GLU A 76 -2.469 2.518 -5.505 1.00 0.22 H new ATOM 0 HB3 GLU A 76 -3.760 2.708 -4.335 1.00 0.22 H new ATOM 0 HG2 GLU A 76 -3.616 5.246 -5.389 1.00 0.24 H new ATOM 0 HG3 GLU A 76 -3.169 4.273 -6.776 1.00 0.24 H new ATOM 1178 N ALA A 77 -0.579 2.916 -2.232 1.00 0.14 N ATOM 1179 CA ALA A 77 0.428 2.005 -1.695 1.00 0.16 C ATOM 1180 C ALA A 77 -0.182 0.676 -1.273 1.00 0.13 C ATOM 1181 O ALA A 77 -1.060 0.631 -0.413 1.00 0.15 O ATOM 1182 CB ALA A 77 1.142 2.649 -0.516 1.00 0.23 C ATOM 0 H ALA A 77 -0.945 3.583 -1.553 1.00 0.14 H new ATOM 0 HA ALA A 77 1.148 1.803 -2.488 1.00 0.16 H new ATOM 0 HB1 ALA A 77 1.891 1.961 -0.124 1.00 0.23 H new ATOM 0 HB2 ALA A 77 1.630 3.567 -0.843 1.00 0.23 H new ATOM 0 HB3 ALA A 77 0.418 2.881 0.265 1.00 0.23 H new ATOM 1188 N LYS A 78 0.295 -0.408 -1.874 1.00 0.16 N ATOM 1189 CA LYS A 78 -0.200 -1.736 -1.547 1.00 0.17 C ATOM 1190 C LYS A 78 0.904 -2.586 -0.927 1.00 0.17 C ATOM 1191 O LYS A 78 1.990 -2.720 -1.494 1.00 0.24 O ATOM 1192 CB LYS A 78 -0.754 -2.418 -2.799 1.00 0.20 C ATOM 1193 CG LYS A 78 -2.269 -2.366 -2.900 1.00 1.12 C ATOM 1194 CD LYS A 78 -2.771 -0.937 -3.030 1.00 1.91 C ATOM 1195 CE LYS A 78 -2.641 -0.429 -4.456 1.00 2.67 C ATOM 1196 NZ LYS A 78 -3.303 -1.338 -5.432 1.00 3.04 N ATOM 0 H LYS A 78 1.023 -0.392 -2.589 1.00 0.16 H new ATOM 0 HA LYS A 78 -1.004 -1.633 -0.818 1.00 0.17 H new ATOM 0 HB2 LYS A 78 -0.323 -1.945 -3.681 1.00 0.20 H new ATOM 0 HB3 LYS A 78 -0.433 -3.460 -2.807 1.00 0.20 H new ATOM 0 HG2 LYS A 78 -2.597 -2.948 -3.761 1.00 1.12 H new ATOM 0 HG3 LYS A 78 -2.709 -2.828 -2.017 1.00 1.12 H new ATOM 0 HD2 LYS A 78 -3.814 -0.887 -2.718 1.00 1.91 H new ATOM 0 HD3 LYS A 78 -2.207 -0.289 -2.359 1.00 1.91 H new ATOM 0 HE2 LYS A 78 -3.082 0.565 -4.529 1.00 2.67 H new ATOM 0 HE3 LYS A 78 -1.586 -0.329 -4.711 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 -3.820 -0.774 -6.136 1.00 3.04 H new ATOM 0 HZ2 LYS A 78 -2.583 -1.916 -5.912 1.00 3.04 H new ATOM 0 HZ3 LYS A 78 -3.969 -1.960 -4.931 1.00 3.04 H new ATOM 1210 N VAL A 79 0.622 -3.156 0.240 1.00 0.18 N ATOM 1211 CA VAL A 79 1.593 -3.990 0.939 1.00 0.19 C ATOM 1212 C VAL A 79 1.000 -5.352 1.285 1.00 0.22 C ATOM 1213 O VAL A 79 -0.217 -5.513 1.354 1.00 0.45 O ATOM 1214 CB VAL A 79 2.090 -3.315 2.234 1.00 0.24 C ATOM 1215 CG1 VAL A 79 3.118 -4.190 2.940 1.00 0.44 C ATOM 1216 CG2 VAL A 79 2.670 -1.941 1.934 1.00 0.25 C ATOM 0 H VAL A 79 -0.271 -3.056 0.722 1.00 0.18 H new ATOM 0 HA VAL A 79 2.437 -4.124 0.262 1.00 0.19 H new ATOM 0 HB VAL A 79 1.237 -3.189 2.900 1.00 0.24 H new ATOM 0 HG11 VAL A 79 3.454 -3.694 3.850 1.00 0.44 H new ATOM 0 HG12 VAL A 79 2.666 -5.149 3.195 1.00 0.44 H new ATOM 0 HG13 VAL A 79 3.970 -4.354 2.281 1.00 0.44 H new ATOM 0 HG21 VAL A 79 3.015 -1.481 2.860 1.00 0.25 H new ATOM 0 HG22 VAL A 79 3.509 -2.043 1.245 1.00 0.25 H new ATOM 0 HG23 VAL A 79 1.903 -1.313 1.481 1.00 0.25 H new ATOM 1226 N TRP A 80 1.875 -6.328 1.503 1.00 0.17 N ATOM 1227 CA TRP A 80 1.446 -7.677 1.845 1.00 0.15 C ATOM 1228 C TRP A 80 2.210 -8.193 3.058 1.00 0.18 C ATOM 1229 O TRP A 80 3.372 -8.585 2.952 1.00 0.21 O ATOM 1230 CB TRP A 80 1.660 -8.617 0.660 1.00 0.18 C ATOM 1231 CG TRP A 80 0.792 -9.839 0.698 1.00 0.21 C ATOM 1232 CD1 TRP A 80 -0.236 -10.099 1.563 1.00 0.24 C ATOM 1233 CD2 TRP A 80 0.881 -10.972 -0.172 1.00 0.31 C ATOM 1234 NE1 TRP A 80 -0.788 -11.325 1.280 1.00 0.36 N ATOM 1235 CE2 TRP A 80 -0.120 -11.880 0.220 1.00 0.40 C ATOM 1236 CE3 TRP A 80 1.712 -11.306 -1.245 1.00 0.37 C ATOM 1237 CZ2 TRP A 80 -0.313 -13.099 -0.425 1.00 0.53 C ATOM 1238 CZ3 TRP A 80 1.520 -12.516 -1.884 1.00 0.49 C ATOM 1239 CH2 TRP A 80 0.514 -13.400 -1.473 1.00 0.56 C ATOM 0 H TRP A 80 2.887 -6.209 1.449 1.00 0.17 H new ATOM 0 HA TRP A 80 0.384 -7.646 2.088 1.00 0.15 H new ATOM 0 HB2 TRP A 80 1.466 -8.073 -0.264 1.00 0.18 H new ATOM 0 HB3 TRP A 80 2.705 -8.925 0.635 1.00 0.18 H new ATOM 0 HD1 TRP A 80 -0.565 -9.438 2.351 1.00 0.24 H new ATOM 0 HE1 TRP A 80 -1.569 -11.753 1.778 1.00 0.36 H new ATOM 0 HE3 TRP A 80 2.490 -10.631 -1.569 1.00 0.37 H new ATOM 0 HZ2 TRP A 80 -1.088 -13.782 -0.109 1.00 0.53 H new ATOM 0 HZ3 TRP A 80 2.156 -12.785 -2.714 1.00 0.49 H new ATOM 0 HH2 TRP A 80 0.389 -14.338 -1.994 1.00 0.56 H new ATOM 1250 N GLU A 81 1.550 -8.191 4.208 1.00 0.21 N ATOM 1251 CA GLU A 81 2.168 -8.660 5.442 1.00 0.26 C ATOM 1252 C GLU A 81 1.416 -9.864 6.000 1.00 0.21 C ATOM 1253 O GLU A 81 0.238 -10.062 5.706 1.00 0.25 O ATOM 1254 CB GLU A 81 2.216 -7.534 6.480 1.00 0.38 C ATOM 1255 CG GLU A 81 0.878 -6.850 6.713 1.00 0.70 C ATOM 1256 CD GLU A 81 0.138 -7.410 7.912 1.00 1.64 C ATOM 1257 OE1 GLU A 81 0.176 -8.642 8.112 1.00 2.35 O ATOM 1258 OE2 GLU A 81 -0.481 -6.616 8.651 1.00 2.27 O ATOM 0 H GLU A 81 0.587 -7.870 4.313 1.00 0.21 H new ATOM 0 HA GLU A 81 3.189 -8.968 5.215 1.00 0.26 H new ATOM 0 HB2 GLU A 81 2.574 -7.941 7.426 1.00 0.38 H new ATOM 0 HB3 GLU A 81 2.943 -6.788 6.158 1.00 0.38 H new ATOM 0 HG2 GLU A 81 1.040 -5.782 6.857 1.00 0.70 H new ATOM 0 HG3 GLU A 81 0.258 -6.961 5.824 1.00 0.70 H new ATOM 1265 N LYS A 82 2.105 -10.670 6.800 1.00 0.23 N ATOM 1266 CA LYS A 82 1.498 -11.858 7.391 1.00 0.24 C ATOM 1267 C LYS A 82 1.825 -11.948 8.884 1.00 0.29 C ATOM 1268 O LYS A 82 2.985 -12.114 9.267 1.00 0.32 O ATOM 1269 CB LYS A 82 1.965 -13.109 6.645 1.00 0.27 C ATOM 1270 CG LYS A 82 1.885 -12.961 5.132 1.00 0.32 C ATOM 1271 CD LYS A 82 2.751 -13.984 4.416 1.00 0.95 C ATOM 1272 CE LYS A 82 2.078 -14.498 3.153 1.00 0.65 C ATOM 1273 NZ LYS A 82 2.913 -15.513 2.453 1.00 0.92 N ATOM 0 H LYS A 82 3.082 -10.523 7.054 1.00 0.23 H new ATOM 0 HA LYS A 82 0.415 -11.786 7.296 1.00 0.24 H new ATOM 0 HB2 LYS A 82 2.993 -13.333 6.929 1.00 0.27 H new ATOM 0 HB3 LYS A 82 1.357 -13.959 6.955 1.00 0.27 H new ATOM 0 HG2 LYS A 82 0.850 -13.073 4.811 1.00 0.32 H new ATOM 0 HG3 LYS A 82 2.200 -11.957 4.848 1.00 0.32 H new ATOM 0 HD2 LYS A 82 3.711 -13.535 4.161 1.00 0.95 H new ATOM 0 HD3 LYS A 82 2.958 -14.819 5.085 1.00 0.95 H new ATOM 0 HE2 LYS A 82 1.113 -14.935 3.408 1.00 0.65 H new ATOM 0 HE3 LYS A 82 1.882 -13.663 2.481 1.00 0.65 H new ATOM 0 HZ1 LYS A 82 2.419 -15.838 1.597 1.00 0.92 H new ATOM 0 HZ2 LYS A 82 3.824 -15.089 2.187 1.00 0.92 H new ATOM 0 HZ3 LYS A 82 3.079 -16.322 3.085 1.00 0.92 H new ATOM 1287 N PRO A 83 0.801 -11.828 9.751 1.00 0.32 N ATOM 1288 CA PRO A 83 0.984 -11.874 11.208 1.00 0.39 C ATOM 1289 C PRO A 83 1.400 -13.248 11.718 1.00 0.42 C ATOM 1290 O PRO A 83 2.217 -13.357 12.633 1.00 0.47 O ATOM 1291 CB PRO A 83 -0.393 -11.494 11.757 1.00 0.44 C ATOM 1292 CG PRO A 83 -1.351 -11.840 10.672 1.00 0.40 C ATOM 1293 CD PRO A 83 -0.614 -11.629 9.379 1.00 0.33 C ATOM 0 HA PRO A 83 1.787 -11.209 11.527 1.00 0.39 H new ATOM 0 HB2 PRO A 83 -0.618 -12.043 12.672 1.00 0.44 H new ATOM 0 HB3 PRO A 83 -0.441 -10.433 12.002 1.00 0.44 H new ATOM 0 HG2 PRO A 83 -1.687 -12.873 10.764 1.00 0.40 H new ATOM 0 HG3 PRO A 83 -2.239 -11.210 10.721 1.00 0.40 H new ATOM 0 HD2 PRO A 83 -0.932 -12.339 8.616 1.00 0.33 H new ATOM 0 HD3 PRO A 83 -0.787 -10.631 8.977 1.00 0.33 H new ATOM 1301 N TRP A 84 0.835 -14.295 11.131 1.00 0.41 N ATOM 1302 CA TRP A 84 1.155 -15.656 11.542 1.00 0.47 C ATOM 1303 C TRP A 84 2.658 -15.925 11.454 1.00 0.49 C ATOM 1304 O TRP A 84 3.166 -16.849 12.089 1.00 0.56 O ATOM 1305 CB TRP A 84 0.391 -16.667 10.682 1.00 0.48 C ATOM 1306 CG TRP A 84 0.887 -16.742 9.272 1.00 0.43 C ATOM 1307 CD1 TRP A 84 1.957 -17.456 8.817 1.00 0.47 C ATOM 1308 CD2 TRP A 84 0.336 -16.074 8.134 1.00 0.37 C ATOM 1309 NE1 TRP A 84 2.105 -17.272 7.465 1.00 0.43 N ATOM 1310 CE2 TRP A 84 1.122 -16.427 7.023 1.00 0.36 C ATOM 1311 CE3 TRP A 84 -0.747 -15.209 7.947 1.00 0.35 C ATOM 1312 CZ2 TRP A 84 0.861 -15.948 5.745 1.00 0.33 C ATOM 1313 CZ3 TRP A 84 -1.007 -14.734 6.675 1.00 0.34 C ATOM 1314 CH2 TRP A 84 -0.204 -15.105 5.589 1.00 0.32 C ATOM 0 H TRP A 84 0.156 -14.229 10.373 1.00 0.41 H new ATOM 0 HA TRP A 84 0.850 -15.769 12.582 1.00 0.47 H new ATOM 0 HB2 TRP A 84 0.468 -17.653 11.139 1.00 0.48 H new ATOM 0 HB3 TRP A 84 -0.666 -16.401 10.674 1.00 0.48 H new ATOM 0 HD1 TRP A 84 2.594 -18.075 9.431 1.00 0.47 H new ATOM 0 HE1 TRP A 84 2.829 -17.695 6.884 1.00 0.43 H new ATOM 0 HE3 TRP A 84 -1.369 -14.918 8.781 1.00 0.35 H new ATOM 0 HZ2 TRP A 84 1.478 -16.232 4.905 1.00 0.33 H new ATOM 0 HZ3 TRP A 84 -1.842 -14.067 6.516 1.00 0.34 H new ATOM 0 HH2 TRP A 84 -0.431 -14.717 4.607 1.00 0.32 H new ATOM 1325 N MET A 85 3.367 -15.119 10.663 1.00 0.45 N ATOM 1326 CA MET A 85 4.808 -15.294 10.507 1.00 0.48 C ATOM 1327 C MET A 85 5.549 -13.958 10.556 1.00 0.45 C ATOM 1328 O MET A 85 6.746 -13.899 10.276 1.00 0.47 O ATOM 1329 CB MET A 85 5.112 -16.006 9.187 1.00 0.48 C ATOM 1330 CG MET A 85 4.769 -15.183 7.956 1.00 0.39 C ATOM 1331 SD MET A 85 4.922 -16.124 6.426 1.00 0.65 S ATOM 1332 CE MET A 85 6.702 -16.180 6.238 1.00 1.03 C ATOM 0 H MET A 85 2.971 -14.347 10.126 1.00 0.45 H new ATOM 0 HA MET A 85 5.158 -15.903 11.341 1.00 0.48 H new ATOM 0 HB2 MET A 85 6.171 -16.262 9.158 1.00 0.48 H new ATOM 0 HB3 MET A 85 4.556 -16.943 9.153 1.00 0.48 H new ATOM 0 HG2 MET A 85 3.750 -14.808 8.047 1.00 0.39 H new ATOM 0 HG3 MET A 85 5.425 -14.314 7.910 1.00 0.39 H new ATOM 0 HE1 MET A 85 6.954 -16.685 5.305 1.00 1.03 H new ATOM 0 HE2 MET A 85 7.098 -15.165 6.219 1.00 1.03 H new ATOM 0 HE3 MET A 85 7.139 -16.725 7.075 1.00 1.03 H new ATOM 1342 N ASP A 86 4.839 -12.887 10.909 1.00 0.43 N ATOM 1343 CA ASP A 86 5.447 -11.561 10.984 1.00 0.43 C ATOM 1344 C ASP A 86 6.266 -11.268 9.730 1.00 0.42 C ATOM 1345 O ASP A 86 7.490 -11.394 9.732 1.00 0.60 O ATOM 1346 CB ASP A 86 6.335 -11.454 12.224 1.00 0.49 C ATOM 1347 CG ASP A 86 5.578 -10.949 13.436 1.00 0.99 C ATOM 1348 OD1 ASP A 86 4.333 -11.038 13.438 1.00 1.68 O ATOM 1349 OD2 ASP A 86 6.230 -10.464 14.385 1.00 1.67 O ATOM 0 H ASP A 86 3.847 -12.912 11.146 1.00 0.43 H new ATOM 0 HA ASP A 86 4.647 -10.824 11.055 1.00 0.43 H new ATOM 0 HB2 ASP A 86 6.762 -12.432 12.447 1.00 0.49 H new ATOM 0 HB3 ASP A 86 7.168 -10.783 12.014 1.00 0.49 H new ATOM 1354 N PHE A 87 5.580 -10.884 8.660 1.00 0.35 N ATOM 1355 CA PHE A 87 6.232 -10.584 7.403 1.00 0.32 C ATOM 1356 C PHE A 87 5.549 -9.406 6.721 1.00 0.34 C ATOM 1357 O PHE A 87 4.408 -9.067 7.027 1.00 0.64 O ATOM 1358 CB PHE A 87 6.203 -11.817 6.492 1.00 0.40 C ATOM 1359 CG PHE A 87 6.479 -11.518 5.043 1.00 0.37 C ATOM 1360 CD1 PHE A 87 7.778 -11.353 4.591 1.00 1.25 C ATOM 1361 CD2 PHE A 87 5.438 -11.401 4.137 1.00 1.10 C ATOM 1362 CE1 PHE A 87 8.034 -11.078 3.261 1.00 1.24 C ATOM 1363 CE2 PHE A 87 5.686 -11.126 2.805 1.00 1.15 C ATOM 1364 CZ PHE A 87 6.987 -10.964 2.368 1.00 0.44 C ATOM 0 H PHE A 87 4.566 -10.774 8.644 1.00 0.35 H new ATOM 0 HA PHE A 87 7.270 -10.315 7.599 1.00 0.32 H new ATOM 0 HB2 PHE A 87 6.939 -12.537 6.850 1.00 0.40 H new ATOM 0 HB3 PHE A 87 5.226 -12.293 6.574 1.00 0.40 H new ATOM 0 HD1 PHE A 87 8.600 -11.440 5.286 1.00 1.25 H new ATOM 0 HD2 PHE A 87 4.420 -11.526 4.475 1.00 1.10 H new ATOM 0 HE1 PHE A 87 9.051 -10.952 2.921 1.00 1.24 H new ATOM 0 HE2 PHE A 87 4.866 -11.038 2.108 1.00 1.15 H new ATOM 0 HZ PHE A 87 7.185 -10.748 1.328 1.00 0.44 H new ATOM 1374 N LYS A 88 6.265 -8.799 5.793 1.00 0.27 N ATOM 1375 CA LYS A 88 5.756 -7.659 5.039 1.00 0.23 C ATOM 1376 C LYS A 88 6.602 -7.426 3.793 1.00 0.20 C ATOM 1377 O LYS A 88 7.813 -7.638 3.806 1.00 0.29 O ATOM 1378 CB LYS A 88 5.742 -6.400 5.911 1.00 0.30 C ATOM 1379 CG LYS A 88 7.128 -5.889 6.275 1.00 0.37 C ATOM 1380 CD LYS A 88 7.143 -4.375 6.428 1.00 0.44 C ATOM 1381 CE LYS A 88 7.768 -3.952 7.748 1.00 0.79 C ATOM 1382 NZ LYS A 88 6.738 -3.587 8.759 1.00 1.73 N ATOM 0 H LYS A 88 7.213 -9.078 5.538 1.00 0.27 H new ATOM 0 HA LYS A 88 4.734 -7.880 4.732 1.00 0.23 H new ATOM 0 HB2 LYS A 88 5.201 -5.612 5.387 1.00 0.30 H new ATOM 0 HB3 LYS A 88 5.190 -6.610 6.827 1.00 0.30 H new ATOM 0 HG2 LYS A 88 7.455 -6.353 7.206 1.00 0.37 H new ATOM 0 HG3 LYS A 88 7.840 -6.185 5.504 1.00 0.37 H new ATOM 0 HD2 LYS A 88 7.699 -3.931 5.603 1.00 0.44 H new ATOM 0 HD3 LYS A 88 6.124 -3.993 6.368 1.00 0.44 H new ATOM 0 HE2 LYS A 88 8.384 -4.764 8.134 1.00 0.79 H new ATOM 0 HE3 LYS A 88 8.429 -3.102 7.580 1.00 0.79 H new ATOM 0 HZ1 LYS A 88 7.205 -3.305 9.644 1.00 1.73 H new ATOM 0 HZ2 LYS A 88 6.166 -2.795 8.402 1.00 1.73 H new ATOM 0 HZ3 LYS A 88 6.122 -4.406 8.938 1.00 1.73 H new ATOM 1396 N GLU A 89 5.957 -6.995 2.715 1.00 0.18 N ATOM 1397 CA GLU A 89 6.659 -6.741 1.464 1.00 0.25 C ATOM 1398 C GLU A 89 5.890 -5.756 0.591 1.00 0.22 C ATOM 1399 O GLU A 89 4.783 -6.048 0.135 1.00 0.26 O ATOM 1400 CB GLU A 89 6.878 -8.051 0.704 1.00 0.33 C ATOM 1401 CG GLU A 89 7.647 -7.879 -0.595 1.00 0.45 C ATOM 1402 CD GLU A 89 8.692 -8.959 -0.802 1.00 1.01 C ATOM 1403 OE1 GLU A 89 9.764 -8.877 -0.166 1.00 1.69 O ATOM 1404 OE2 GLU A 89 8.437 -9.888 -1.596 1.00 1.75 O ATOM 0 H GLU A 89 4.954 -6.815 2.682 1.00 0.18 H new ATOM 0 HA GLU A 89 7.626 -6.300 1.706 1.00 0.25 H new ATOM 0 HB2 GLU A 89 7.417 -8.748 1.346 1.00 0.33 H new ATOM 0 HB3 GLU A 89 5.910 -8.501 0.486 1.00 0.33 H new ATOM 0 HG2 GLU A 89 6.948 -7.890 -1.431 1.00 0.45 H new ATOM 0 HG3 GLU A 89 8.133 -6.903 -0.599 1.00 0.45 H new ATOM 1411 N LEU A 90 6.486 -4.592 0.357 1.00 0.21 N ATOM 1412 CA LEU A 90 5.861 -3.565 -0.468 1.00 0.19 C ATOM 1413 C LEU A 90 5.574 -4.100 -1.863 1.00 0.19 C ATOM 1414 O LEU A 90 6.424 -4.737 -2.484 1.00 0.21 O ATOM 1415 CB LEU A 90 6.765 -2.334 -0.556 1.00 0.21 C ATOM 1416 CG LEU A 90 6.050 -1.017 -0.879 1.00 0.18 C ATOM 1417 CD1 LEU A 90 5.623 -0.977 -2.339 1.00 0.21 C ATOM 1418 CD2 LEU A 90 4.852 -0.817 0.038 1.00 0.18 C ATOM 0 H LEU A 90 7.401 -4.336 0.727 1.00 0.21 H new ATOM 0 HA LEU A 90 4.917 -3.279 -0.004 1.00 0.19 H new ATOM 0 HB2 LEU A 90 7.289 -2.220 0.393 1.00 0.21 H new ATOM 0 HB3 LEU A 90 7.522 -2.514 -1.319 1.00 0.21 H new ATOM 0 HG LEU A 90 6.751 -0.200 -0.709 1.00 0.18 H new ATOM 0 HD11 LEU A 90 5.118 -0.033 -2.545 1.00 0.21 H new ATOM 0 HD12 LEU A 90 6.502 -1.065 -2.978 1.00 0.21 H new ATOM 0 HD13 LEU A 90 4.943 -1.804 -2.542 1.00 0.21 H new ATOM 0 HD21 LEU A 90 4.359 0.123 -0.208 1.00 0.18 H new ATOM 0 HD22 LEU A 90 4.150 -1.641 -0.095 1.00 0.18 H new ATOM 0 HD23 LEU A 90 5.188 -0.790 1.075 1.00 0.18 H new ATOM 1430 N GLN A 91 4.371 -3.832 -2.351 1.00 0.18 N ATOM 1431 CA GLN A 91 3.972 -4.282 -3.676 1.00 0.20 C ATOM 1432 C GLN A 91 4.096 -3.148 -4.682 1.00 0.19 C ATOM 1433 O GLN A 91 4.619 -3.334 -5.781 1.00 0.21 O ATOM 1434 CB GLN A 91 2.538 -4.815 -3.655 1.00 0.23 C ATOM 1435 CG GLN A 91 2.372 -6.081 -2.831 1.00 0.31 C ATOM 1436 CD GLN A 91 2.341 -7.333 -3.686 1.00 0.74 C ATOM 1437 OE1 GLN A 91 1.947 -7.293 -4.852 1.00 1.35 O ATOM 1438 NE2 GLN A 91 2.758 -8.454 -3.109 1.00 0.95 N ATOM 0 H GLN A 91 3.655 -3.306 -1.850 1.00 0.18 H new ATOM 0 HA GLN A 91 4.638 -5.091 -3.977 1.00 0.20 H new ATOM 0 HB2 GLN A 91 1.878 -4.044 -3.258 1.00 0.23 H new ATOM 0 HB3 GLN A 91 2.218 -5.013 -4.678 1.00 0.23 H new ATOM 0 HG2 GLN A 91 3.191 -6.154 -2.115 1.00 0.31 H new ATOM 0 HG3 GLN A 91 1.449 -6.016 -2.254 1.00 0.31 H new ATOM 0 HE21 GLN A 91 3.076 -8.441 -2.140 1.00 0.95 H new ATOM 0 HE22 GLN A 91 2.760 -9.328 -3.635 1.00 0.95 H new ATOM 1447 N GLU A 92 3.613 -1.967 -4.297 1.00 0.18 N ATOM 1448 CA GLU A 92 3.675 -0.793 -5.169 1.00 0.19 C ATOM 1449 C GLU A 92 2.805 0.341 -4.639 1.00 0.21 C ATOM 1450 O GLU A 92 1.710 0.108 -4.130 1.00 0.35 O ATOM 1451 CB GLU A 92 3.226 -1.155 -6.587 1.00 0.23 C ATOM 1452 CG GLU A 92 4.338 -1.054 -7.612 1.00 0.29 C ATOM 1453 CD GLU A 92 4.098 -1.934 -8.824 1.00 0.52 C ATOM 1454 OE1 GLU A 92 3.090 -1.714 -9.526 1.00 1.19 O ATOM 1455 OE2 GLU A 92 4.919 -2.843 -9.069 1.00 1.34 O ATOM 0 H GLU A 92 3.176 -1.797 -3.391 1.00 0.18 H new ATOM 0 HA GLU A 92 4.711 -0.456 -5.189 1.00 0.19 H new ATOM 0 HB2 GLU A 92 2.832 -2.171 -6.588 1.00 0.23 H new ATOM 0 HB3 GLU A 92 2.409 -0.496 -6.881 1.00 0.23 H new ATOM 0 HG2 GLU A 92 4.436 -0.017 -7.934 1.00 0.29 H new ATOM 0 HG3 GLU A 92 5.283 -1.334 -7.146 1.00 0.29 H new ATOM 1462 N PHE A 93 3.288 1.571 -4.784 1.00 0.20 N ATOM 1463 CA PHE A 93 2.536 2.734 -4.337 1.00 0.21 C ATOM 1464 C PHE A 93 2.563 3.833 -5.398 1.00 0.23 C ATOM 1465 O PHE A 93 3.556 4.543 -5.559 1.00 0.31 O ATOM 1466 CB PHE A 93 3.059 3.238 -2.980 1.00 0.20 C ATOM 1467 CG PHE A 93 4.131 4.287 -3.051 1.00 0.20 C ATOM 1468 CD1 PHE A 93 5.379 4.000 -3.580 1.00 1.23 C ATOM 1469 CD2 PHE A 93 3.885 5.566 -2.577 1.00 1.22 C ATOM 1470 CE1 PHE A 93 6.361 4.972 -3.634 1.00 1.23 C ATOM 1471 CE2 PHE A 93 4.862 6.539 -2.627 1.00 1.22 C ATOM 1472 CZ PHE A 93 6.100 6.243 -3.156 1.00 0.22 C ATOM 0 H PHE A 93 4.192 1.786 -5.205 1.00 0.20 H new ATOM 0 HA PHE A 93 1.496 2.439 -4.194 1.00 0.21 H new ATOM 0 HB2 PHE A 93 2.219 3.639 -2.413 1.00 0.20 H new ATOM 0 HB3 PHE A 93 3.445 2.386 -2.420 1.00 0.20 H new ATOM 0 HD1 PHE A 93 5.587 3.008 -3.954 1.00 1.23 H new ATOM 0 HD2 PHE A 93 2.916 5.804 -2.163 1.00 1.22 H new ATOM 0 HE1 PHE A 93 7.330 4.739 -4.049 1.00 1.23 H new ATOM 0 HE2 PHE A 93 4.657 7.531 -2.252 1.00 1.22 H new ATOM 0 HZ PHE A 93 6.866 7.003 -3.197 1.00 0.22 H new ATOM 1482 N LYS A 94 1.463 3.953 -6.134 1.00 0.21 N ATOM 1483 CA LYS A 94 1.354 4.952 -7.191 1.00 0.23 C ATOM 1484 C LYS A 94 -0.109 5.215 -7.542 1.00 0.26 C ATOM 1485 O LYS A 94 -0.999 4.489 -7.103 1.00 0.34 O ATOM 1486 CB LYS A 94 2.118 4.491 -8.435 1.00 0.30 C ATOM 1487 CG LYS A 94 3.420 5.241 -8.661 1.00 1.29 C ATOM 1488 CD LYS A 94 4.149 4.732 -9.896 1.00 1.43 C ATOM 1489 CE LYS A 94 4.996 3.511 -9.578 1.00 1.76 C ATOM 1490 NZ LYS A 94 5.800 3.072 -10.751 1.00 2.12 N ATOM 0 H LYS A 94 0.634 3.370 -6.018 1.00 0.21 H new ATOM 0 HA LYS A 94 1.793 5.882 -6.828 1.00 0.23 H new ATOM 0 HB2 LYS A 94 2.333 3.426 -8.346 1.00 0.30 H new ATOM 0 HB3 LYS A 94 1.480 4.615 -9.310 1.00 0.30 H new ATOM 0 HG2 LYS A 94 3.214 6.306 -8.772 1.00 1.29 H new ATOM 0 HG3 LYS A 94 4.062 5.130 -7.787 1.00 1.29 H new ATOM 0 HD2 LYS A 94 3.424 4.482 -10.671 1.00 1.43 H new ATOM 0 HD3 LYS A 94 4.784 5.522 -10.297 1.00 1.43 H new ATOM 0 HE2 LYS A 94 5.662 3.738 -8.746 1.00 1.76 H new ATOM 0 HE3 LYS A 94 4.350 2.695 -9.255 1.00 1.76 H new ATOM 0 HZ1 LYS A 94 6.363 2.237 -10.493 1.00 2.12 H new ATOM 0 HZ2 LYS A 94 5.164 2.831 -11.537 1.00 2.12 H new ATOM 0 HZ3 LYS A 94 6.436 3.841 -11.044 1.00 2.12 H new ATOM 1504 N PRO A 95 -0.375 6.253 -8.352 1.00 0.28 N ATOM 1505 CA PRO A 95 -1.737 6.606 -8.767 1.00 0.34 C ATOM 1506 C PRO A 95 -2.267 5.690 -9.867 1.00 0.38 C ATOM 1507 O PRO A 95 -3.348 5.916 -10.410 1.00 0.46 O ATOM 1508 CB PRO A 95 -1.569 8.025 -9.299 1.00 0.36 C ATOM 1509 CG PRO A 95 -0.185 8.043 -9.846 1.00 0.34 C ATOM 1510 CD PRO A 95 0.629 7.160 -8.940 1.00 0.30 C ATOM 0 HA PRO A 95 -2.454 6.513 -7.951 1.00 0.34 H new ATOM 0 HB2 PRO A 95 -2.306 8.252 -10.070 1.00 0.36 H new ATOM 0 HB3 PRO A 95 -1.696 8.765 -8.509 1.00 0.36 H new ATOM 0 HG2 PRO A 95 -0.166 7.674 -10.871 1.00 0.34 H new ATOM 0 HG3 PRO A 95 0.214 9.057 -9.865 1.00 0.34 H new ATOM 0 HD2 PRO A 95 1.391 6.611 -9.493 1.00 0.30 H new ATOM 0 HD3 PRO A 95 1.146 7.738 -8.174 1.00 0.30 H new ATOM 1518 N VAL A 96 -1.496 4.660 -10.192 1.00 0.39 N ATOM 1519 CA VAL A 96 -1.880 3.714 -11.226 1.00 0.52 C ATOM 1520 C VAL A 96 -1.999 4.412 -12.580 1.00 0.82 C ATOM 1521 O VAL A 96 -3.065 4.423 -13.197 1.00 1.08 O ATOM 1522 CB VAL A 96 -3.212 3.026 -10.876 1.00 0.78 C ATOM 1523 CG1 VAL A 96 -3.637 2.064 -11.977 1.00 0.95 C ATOM 1524 CG2 VAL A 96 -3.101 2.302 -9.543 1.00 0.98 C ATOM 0 H VAL A 96 -0.598 4.460 -9.751 1.00 0.39 H new ATOM 0 HA VAL A 96 -1.100 2.955 -11.287 1.00 0.52 H new ATOM 0 HB VAL A 96 -3.979 3.795 -10.790 1.00 0.78 H new ATOM 0 HG11 VAL A 96 -4.581 1.592 -11.704 1.00 0.95 H new ATOM 0 HG12 VAL A 96 -3.763 2.612 -12.911 1.00 0.95 H new ATOM 0 HG13 VAL A 96 -2.872 1.298 -12.106 1.00 0.95 H new ATOM 0 HG21 VAL A 96 -4.051 1.821 -9.310 1.00 0.98 H new ATOM 0 HG22 VAL A 96 -2.317 1.547 -9.603 1.00 0.98 H new ATOM 0 HG23 VAL A 96 -2.855 3.018 -8.759 1.00 0.98 H new ATOM 1534 N ASP A 97 -0.895 4.997 -13.033 1.00 1.13 N ATOM 1535 CA ASP A 97 -0.869 5.702 -14.310 1.00 1.59 C ATOM 1536 C ASP A 97 -0.863 4.717 -15.474 1.00 1.70 C ATOM 1537 O ASP A 97 0.142 4.056 -15.735 1.00 1.88 O ATOM 1538 CB ASP A 97 0.358 6.611 -14.389 1.00 2.00 C ATOM 1539 CG ASP A 97 0.175 7.899 -13.610 1.00 2.70 C ATOM 1540 OD1 ASP A 97 -0.786 8.640 -13.907 1.00 3.08 O ATOM 1541 OD2 ASP A 97 0.991 8.167 -12.703 1.00 3.40 O ATOM 0 H ASP A 97 -0.005 4.997 -12.534 1.00 1.13 H new ATOM 0 HA ASP A 97 -1.769 6.313 -14.379 1.00 1.59 H new ATOM 0 HB2 ASP A 97 1.227 6.078 -14.004 1.00 2.00 H new ATOM 0 HB3 ASP A 97 0.565 6.847 -15.433 1.00 2.00 H new ATOM 1546 N ALA A 98 -1.990 4.626 -16.170 1.00 2.06 N ATOM 1547 CA ALA A 98 -2.116 3.723 -17.308 1.00 2.28 C ATOM 1548 C ALA A 98 -3.470 3.884 -17.989 1.00 2.66 C ATOM 1549 O ALA A 98 -4.496 3.455 -17.462 1.00 3.06 O ATOM 1550 CB ALA A 98 -1.914 2.282 -16.862 1.00 2.99 C ATOM 0 H ALA A 98 -2.830 5.167 -15.966 1.00 2.06 H new ATOM 0 HA ALA A 98 -1.343 3.979 -18.032 1.00 2.28 H new ATOM 0 HB1 ALA A 98 -2.011 1.618 -17.721 1.00 2.99 H new ATOM 0 HB2 ALA A 98 -0.920 2.171 -16.428 1.00 2.99 H new ATOM 0 HB3 ALA A 98 -2.666 2.023 -16.117 1.00 2.99 H new ATOM 1556 N SER A 99 -3.466 4.505 -19.163 1.00 3.27 N ATOM 1557 CA SER A 99 -4.696 4.723 -19.918 1.00 4.13 C ATOM 1558 C SER A 99 -4.868 3.658 -20.996 1.00 4.45 C ATOM 1559 O SER A 99 -5.446 3.918 -22.052 1.00 4.82 O ATOM 1560 CB SER A 99 -4.689 6.115 -20.552 1.00 4.76 C ATOM 1561 OG SER A 99 -5.974 6.709 -20.489 1.00 5.52 O ATOM 0 H SER A 99 -2.625 4.867 -19.613 1.00 3.27 H new ATOM 0 HA SER A 99 -5.536 4.652 -19.227 1.00 4.13 H new ATOM 0 HB2 SER A 99 -3.966 6.749 -20.038 1.00 4.76 H new ATOM 0 HB3 SER A 99 -4.368 6.043 -21.591 1.00 4.76 H new ATOM 0 HG SER A 99 -5.944 7.599 -20.899 1.00 5.52 H new ATOM 1567 N ALA A 100 -4.363 2.460 -20.724 1.00 4.75 N ATOM 1568 CA ALA A 100 -4.461 1.356 -21.671 1.00 5.48 C ATOM 1569 C ALA A 100 -4.927 0.080 -20.978 1.00 5.99 C ATOM 1570 O ALA A 100 -5.361 0.111 -19.826 1.00 6.15 O ATOM 1571 CB ALA A 100 -3.122 1.129 -22.356 1.00 5.92 C ATOM 0 H ALA A 100 -3.881 2.229 -19.855 1.00 4.75 H new ATOM 0 HA ALA A 100 -5.202 1.620 -22.426 1.00 5.48 H new ATOM 0 HB1 ALA A 100 -3.209 0.302 -23.060 1.00 5.92 H new ATOM 0 HB2 ALA A 100 -2.829 2.032 -22.891 1.00 5.92 H new ATOM 0 HB3 ALA A 100 -2.366 0.890 -21.608 1.00 5.92 H new ATOM 1577 N ASN A 101 -4.835 -1.041 -21.686 1.00 6.59 N ATOM 1578 CA ASN A 101 -5.247 -2.328 -21.138 1.00 7.37 C ATOM 1579 C ASN A 101 -4.287 -3.434 -21.565 1.00 7.94 C ATOM 1580 O ASN A 101 -3.612 -4.038 -20.732 1.00 8.19 O ATOM 1581 CB ASN A 101 -6.669 -2.666 -21.591 1.00 7.82 C ATOM 1582 CG ASN A 101 -7.632 -1.515 -21.382 1.00 8.57 C ATOM 1583 OD1 ASN A 101 -7.719 -1.033 -20.147 1.00 8.96 O flip ATOM 1584 ND2 ASN A 101 -8.291 -1.064 -22.318 1.00 9.03 N flip ATOM 0 H ASN A 101 -4.479 -1.084 -22.641 1.00 6.59 H new ATOM 0 HA ASN A 101 -5.227 -2.256 -20.051 1.00 7.37 H new ATOM 0 HB2 ASN A 101 -6.656 -2.938 -22.646 1.00 7.82 H new ATOM 0 HB3 ASN A 101 -7.025 -3.538 -21.042 1.00 7.82 H new ATOM 0 HD21 ASN A 101 -8.193 -1.465 -23.251 1.00 9.03 H new ATOM 0 HD22 ASN A 101 -8.936 -0.289 -22.161 1.00 9.03 H new ATOM 1591 N ALA A 102 -4.232 -3.693 -22.867 1.00 8.43 N ATOM 1592 CA ALA A 102 -3.355 -4.725 -23.404 1.00 9.20 C ATOM 1593 C ALA A 102 -3.694 -6.092 -22.818 1.00 9.67 C ATOM 1594 O ALA A 102 -4.563 -6.781 -23.392 1.00 9.88 O ATOM 1595 CB ALA A 102 -1.900 -4.377 -23.128 1.00 9.91 C ATOM 1596 OXT ALA A 102 -3.085 -6.462 -21.792 1.00 10.06 O ATOM 0 H ALA A 102 -4.785 -3.202 -23.570 1.00 8.43 H new ATOM 0 HA ALA A 102 -3.508 -4.772 -24.482 1.00 9.20 H new ATOM 0 HB1 ALA A 102 -1.256 -5.157 -23.535 1.00 9.91 H new ATOM 0 HB2 ALA A 102 -1.658 -3.424 -23.599 1.00 9.91 H new ATOM 0 HB3 ALA A 102 -1.742 -4.300 -22.052 1.00 9.91 H new TER 1602 ALA A 102