USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 761 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 88 HIS : no HE2:sc= -0.162 X(o=-0.33,f=-0.49) USER MOD Set 1.2: A 92 GLN : amide:sc= -0.163 X(o=-0.33,f=-0.17) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -0.0659 K(o=1.3,f=-6.9!) USER MOD Set 2.2: A 44 SER OG : rot -160:sc= 1.33 USER MOD Set 3.1: A 20 GLN :FLIP amide:sc= 0.137 F(o=-1.1,f=-0.49) USER MOD Set 3.2: A 23 GLN : amide:sc= -0.63 X(o=-0.49,f=-0.7) USER MOD Single : A 1 GLY N :NH3+ 148:sc= 0.011 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -28:sc= 0.462 USER MOD Single : A 14 ASN : amide:sc=-0.00318 X(o=-0.0032,f=-0.075) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN :FLIP amide:sc= -0.0415 F(o=-1.4!,f=-0.042) USER MOD Single : A 21 GLN :FLIP amide:sc= 0.717 F(o=-1.5,f=0.72) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 160:sc= 0 USER MOD Single : A 27 THR OG1 : rot 84:sc= 0.84 USER MOD Single : A 33 THR OG1 : rot 70:sc= -0.37 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.458 X(o=-0.46,f=-0.069) USER MOD Single : A 41 THR OG1 : rot -165:sc= 0.526 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 19:sc= -1.89! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -77:sc= 1.17 USER MOD Single : A 66 ASN : amide:sc= -0.0396 K(o=-0.04,f=-1.3!) USER MOD Single : A 67 THR OG1 : rot 74:sc= 0.252 USER MOD Single : A 69 THR OG1 : rot -64:sc= 1.23 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= -2.16! C(o=-2.2!,f=-3.2!) USER MOD Single : A 72 THR OG1 : rot -76:sc= 0.148 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00244 USER MOD Single : A 84 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.23) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.728 USER MOD Single : A 91 THR OG1 : rot 87:sc= 1.1 USER MOD Single : A 93 HIS : no HE2:sc= -2.71 X(o=-2.7,f=-2.9!) USER MOD Single : A 95 HIS : no HD1:sc= -0.478 K(o=-0.48,f=-3.1!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -1.06 K(o=-1.1,f=-5.9!) USER MOD Single : A 101 SER OG : rot 180:sc= 0.131 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.043 -4.668 -17.241 1.00 4.47 N ATOM 2 CA GLY A 1 7.544 -5.892 -16.574 1.00 3.97 C ATOM 3 C GLY A 1 8.563 -5.579 -15.501 1.00 3.37 C ATOM 4 O GLY A 1 9.348 -4.639 -15.638 1.00 3.50 O ATOM 0 H1 GLY A 1 6.816 -4.881 -18.233 1.00 4.47 H new ATOM 0 H2 GLY A 1 6.187 -4.333 -16.754 1.00 4.47 H new ATOM 0 H3 GLY A 1 7.774 -3.929 -17.204 1.00 4.47 H new ATOM 0 HA2 GLY A 1 6.707 -6.432 -16.132 1.00 3.97 H new ATOM 0 HA3 GLY A 1 7.992 -6.552 -17.317 1.00 3.97 H new ATOM 10 N ALA A 2 8.544 -6.355 -14.428 1.00 3.02 N ATOM 11 CA ALA A 2 9.476 -6.175 -13.330 1.00 2.58 C ATOM 12 C ALA A 2 9.678 -7.484 -12.583 1.00 2.13 C ATOM 13 O ALA A 2 8.713 -8.156 -12.211 1.00 2.41 O ATOM 14 CB ALA A 2 8.983 -5.092 -12.379 1.00 2.87 C ATOM 0 H ALA A 2 7.885 -7.123 -14.296 1.00 3.02 H new ATOM 0 HA ALA A 2 10.434 -5.860 -13.743 1.00 2.58 H new ATOM 0 HB1 ALA A 2 9.696 -4.972 -11.563 1.00 2.87 H new ATOM 0 HB2 ALA A 2 8.888 -4.150 -12.919 1.00 2.87 H new ATOM 0 HB3 ALA A 2 8.012 -5.378 -11.974 1.00 2.87 H new ATOM 20 N ALA A 3 10.933 -7.850 -12.377 1.00 1.91 N ATOM 21 CA ALA A 3 11.269 -9.061 -11.643 1.00 1.62 C ATOM 22 C ALA A 3 11.404 -8.756 -10.158 1.00 1.42 C ATOM 23 O ALA A 3 11.693 -9.640 -9.349 1.00 1.97 O ATOM 24 CB ALA A 3 12.554 -9.667 -12.180 1.00 1.64 C ATOM 0 H ALA A 3 11.740 -7.323 -12.710 1.00 1.91 H new ATOM 0 HA ALA A 3 10.465 -9.785 -11.778 1.00 1.62 H new ATOM 0 HB1 ALA A 3 12.791 -10.572 -11.620 1.00 1.64 H new ATOM 0 HB2 ALA A 3 12.427 -9.915 -13.234 1.00 1.64 H new ATOM 0 HB3 ALA A 3 13.368 -8.950 -12.072 1.00 1.64 H new ATOM 30 N SER A 4 11.186 -7.490 -9.823 1.00 0.96 N ATOM 31 CA SER A 4 11.261 -7.011 -8.456 1.00 0.76 C ATOM 32 C SER A 4 10.992 -5.514 -8.423 1.00 0.67 C ATOM 33 O SER A 4 11.876 -4.707 -8.687 1.00 0.72 O ATOM 34 CB SER A 4 12.631 -7.302 -7.834 1.00 0.82 C ATOM 35 OG SER A 4 12.620 -7.046 -6.441 1.00 1.73 O ATOM 0 H SER A 4 10.951 -6.765 -10.500 1.00 0.96 H new ATOM 0 HA SER A 4 10.506 -7.537 -7.872 1.00 0.76 H new ATOM 0 HB2 SER A 4 12.903 -8.342 -8.014 1.00 0.82 H new ATOM 0 HB3 SER A 4 13.391 -6.686 -8.315 1.00 0.82 H new ATOM 0 HG SER A 4 13.504 -7.240 -6.066 1.00 1.73 H new ATOM 41 N ALA A 5 9.766 -5.138 -8.118 1.00 0.62 N ATOM 42 CA ALA A 5 9.444 -3.734 -7.936 1.00 0.56 C ATOM 43 C ALA A 5 9.770 -3.311 -6.514 1.00 0.49 C ATOM 44 O ALA A 5 9.580 -2.161 -6.137 1.00 0.45 O ATOM 45 CB ALA A 5 7.985 -3.470 -8.265 1.00 0.59 C ATOM 0 H ALA A 5 8.981 -5.777 -7.992 1.00 0.62 H new ATOM 0 HA ALA A 5 10.049 -3.140 -8.621 1.00 0.56 H new ATOM 0 HB1 ALA A 5 7.765 -2.412 -8.122 1.00 0.59 H new ATOM 0 HB2 ALA A 5 7.791 -3.744 -9.302 1.00 0.59 H new ATOM 0 HB3 ALA A 5 7.350 -4.064 -7.608 1.00 0.59 H new ATOM 51 N ALA A 6 10.306 -4.243 -5.738 1.00 0.50 N ATOM 52 CA ALA A 6 10.748 -3.954 -4.382 1.00 0.46 C ATOM 53 C ALA A 6 12.072 -3.225 -4.431 1.00 0.48 C ATOM 54 O ALA A 6 12.430 -2.481 -3.522 1.00 0.56 O ATOM 55 CB ALA A 6 10.879 -5.239 -3.588 1.00 0.51 C ATOM 0 H ALA A 6 10.446 -5.211 -6.027 1.00 0.50 H new ATOM 0 HA ALA A 6 10.010 -3.322 -3.888 1.00 0.46 H new ATOM 0 HB1 ALA A 6 11.210 -5.009 -2.575 1.00 0.51 H new ATOM 0 HB2 ALA A 6 9.913 -5.742 -3.548 1.00 0.51 H new ATOM 0 HB3 ALA A 6 11.608 -5.891 -4.069 1.00 0.51 H new ATOM 61 N THR A 7 12.768 -3.408 -5.537 1.00 0.52 N ATOM 62 CA THR A 7 14.032 -2.748 -5.744 1.00 0.52 C ATOM 63 C THR A 7 13.800 -1.481 -6.560 1.00 0.50 C ATOM 64 O THR A 7 14.721 -0.702 -6.813 1.00 0.51 O ATOM 65 CB THR A 7 15.067 -3.677 -6.416 1.00 0.61 C ATOM 66 OG1 THR A 7 16.339 -3.024 -6.527 1.00 0.64 O ATOM 67 CG2 THR A 7 14.605 -4.131 -7.790 1.00 0.69 C ATOM 0 H THR A 7 12.474 -4.011 -6.305 1.00 0.52 H new ATOM 0 HA THR A 7 14.453 -2.480 -4.775 1.00 0.52 H new ATOM 0 HB THR A 7 15.168 -4.557 -5.781 1.00 0.61 H new ATOM 0 HG1 THR A 7 16.205 -2.055 -6.592 1.00 0.64 H new ATOM 0 HG21 THR A 7 15.360 -4.783 -8.231 1.00 0.69 H new ATOM 0 HG22 THR A 7 13.665 -4.675 -7.696 1.00 0.69 H new ATOM 0 HG23 THR A 7 14.458 -3.261 -8.430 1.00 0.69 H new ATOM 75 N ASP A 8 12.539 -1.262 -6.941 1.00 0.49 N ATOM 76 CA ASP A 8 12.130 -0.029 -7.593 1.00 0.48 C ATOM 77 C ASP A 8 11.454 0.855 -6.579 1.00 0.40 C ATOM 78 O ASP A 8 11.502 2.079 -6.645 1.00 0.40 O ATOM 79 CB ASP A 8 11.119 -0.287 -8.694 1.00 0.54 C ATOM 80 CG ASP A 8 11.639 0.057 -10.074 1.00 0.64 C ATOM 81 OD1 ASP A 8 12.413 -0.750 -10.636 1.00 0.75 O ATOM 82 OD2 ASP A 8 11.279 1.128 -10.606 1.00 0.73 O ATOM 0 H ASP A 8 11.783 -1.933 -6.805 1.00 0.49 H new ATOM 0 HA ASP A 8 13.022 0.432 -8.017 1.00 0.48 H new ATOM 0 HB2 ASP A 8 10.829 -1.338 -8.673 1.00 0.54 H new ATOM 0 HB3 ASP A 8 10.219 0.296 -8.496 1.00 0.54 H new ATOM 87 N LEU A 9 10.779 0.208 -5.655 1.00 0.36 N ATOM 88 CA LEU A 9 10.080 0.900 -4.606 1.00 0.30 C ATOM 89 C LEU A 9 11.071 1.505 -3.656 1.00 0.28 C ATOM 90 O LEU A 9 11.073 2.709 -3.403 1.00 0.26 O ATOM 91 CB LEU A 9 9.207 -0.051 -3.824 1.00 0.29 C ATOM 92 CG LEU A 9 8.673 0.558 -2.540 1.00 0.25 C ATOM 93 CD1 LEU A 9 7.646 1.636 -2.855 1.00 0.24 C ATOM 94 CD2 LEU A 9 8.127 -0.527 -1.639 1.00 0.26 C ATOM 0 H LEU A 9 10.702 -0.808 -5.613 1.00 0.36 H new ATOM 0 HA LEU A 9 9.461 1.671 -5.065 1.00 0.30 H new ATOM 0 HB2 LEU A 9 8.370 -0.364 -4.448 1.00 0.29 H new ATOM 0 HB3 LEU A 9 9.779 -0.948 -3.585 1.00 0.29 H new ATOM 0 HG LEU A 9 9.484 1.044 -1.998 1.00 0.25 H new ATOM 0 HD11 LEU A 9 7.271 2.064 -1.925 1.00 0.24 H new ATOM 0 HD12 LEU A 9 8.112 2.419 -3.453 1.00 0.24 H new ATOM 0 HD13 LEU A 9 6.818 1.198 -3.412 1.00 0.24 H new ATOM 0 HD21 LEU A 9 7.746 -0.080 -0.721 1.00 0.26 H new ATOM 0 HD22 LEU A 9 7.319 -1.051 -2.149 1.00 0.26 H new ATOM 0 HD23 LEU A 9 8.922 -1.233 -1.397 1.00 0.26 H new ATOM 106 N ALA A 10 11.920 0.636 -3.142 1.00 0.31 N ATOM 107 CA ALA A 10 13.024 1.046 -2.286 1.00 0.32 C ATOM 108 C ALA A 10 13.963 1.985 -3.039 1.00 0.35 C ATOM 109 O ALA A 10 14.914 2.500 -2.474 1.00 0.39 O ATOM 110 CB ALA A 10 13.777 -0.172 -1.776 1.00 0.42 C ATOM 0 H ALA A 10 11.867 -0.370 -3.303 1.00 0.31 H new ATOM 0 HA ALA A 10 12.619 1.584 -1.429 1.00 0.32 H new ATOM 0 HB1 ALA A 10 14.600 0.150 -1.137 1.00 0.42 H new ATOM 0 HB2 ALA A 10 13.099 -0.805 -1.203 1.00 0.42 H new ATOM 0 HB3 ALA A 10 14.173 -0.735 -2.621 1.00 0.42 H new ATOM 116 N ALA A 11 13.667 2.209 -4.316 1.00 0.36 N ATOM 117 CA ALA A 11 14.399 3.157 -5.124 1.00 0.41 C ATOM 118 C ALA A 11 13.824 4.554 -4.942 1.00 0.39 C ATOM 119 O ALA A 11 14.570 5.533 -4.891 1.00 0.44 O ATOM 120 CB ALA A 11 14.358 2.747 -6.576 1.00 0.51 C ATOM 0 H ALA A 11 12.912 1.735 -4.812 1.00 0.36 H new ATOM 0 HA ALA A 11 15.440 3.168 -4.801 1.00 0.41 H new ATOM 0 HB1 ALA A 11 14.913 3.470 -7.174 1.00 0.51 H new ATOM 0 HB2 ALA A 11 14.808 1.761 -6.688 1.00 0.51 H new ATOM 0 HB3 ALA A 11 13.323 2.714 -6.916 1.00 0.51 H new ATOM 126 N ARG A 12 12.491 4.658 -4.843 1.00 0.36 N ATOM 127 CA ARG A 12 11.852 5.916 -4.477 1.00 0.41 C ATOM 128 C ARG A 12 12.269 6.313 -3.076 1.00 0.34 C ATOM 129 O ARG A 12 12.423 7.490 -2.757 1.00 0.38 O ATOM 130 CB ARG A 12 10.333 5.758 -4.469 1.00 0.54 C ATOM 131 CG ARG A 12 9.639 5.879 -5.803 1.00 0.68 C ATOM 132 CD ARG A 12 9.649 4.572 -6.556 1.00 0.64 C ATOM 133 NE ARG A 12 8.403 4.369 -7.289 1.00 1.29 N ATOM 134 CZ ARG A 12 8.082 3.233 -7.899 1.00 1.49 C ATOM 135 NH1 ARG A 12 8.950 2.233 -7.938 1.00 1.30 N ATOM 136 NH2 ARG A 12 6.902 3.099 -8.486 1.00 2.35 N ATOM 0 H ARG A 12 11.844 3.888 -5.011 1.00 0.36 H new ATOM 0 HA ARG A 12 12.153 6.670 -5.204 1.00 0.41 H new ATOM 0 HB2 ARG A 12 10.093 4.782 -4.046 1.00 0.54 H new ATOM 0 HB3 ARG A 12 9.915 6.508 -3.797 1.00 0.54 H new ATOM 0 HG2 ARG A 12 8.610 6.203 -5.650 1.00 0.68 H new ATOM 0 HG3 ARG A 12 10.130 6.647 -6.400 1.00 0.68 H new ATOM 0 HD2 ARG A 12 10.488 4.558 -7.251 1.00 0.64 H new ATOM 0 HD3 ARG A 12 9.800 3.749 -5.857 1.00 0.64 H new ATOM 0 HE ARG A 12 7.741 5.144 -7.336 1.00 1.29 H new ATOM 0 HH11 ARG A 12 9.865 2.335 -7.500 1.00 1.30 H new ATOM 0 HH12 ARG A 12 8.703 1.361 -8.406 1.00 1.30 H new ATOM 0 HH21 ARG A 12 6.235 3.870 -8.471 1.00 2.35 H new ATOM 0 HH22 ARG A 12 6.661 2.225 -8.953 1.00 2.35 H new ATOM 150 N LEU A 13 12.432 5.295 -2.251 1.00 0.29 N ATOM 151 CA LEU A 13 12.689 5.465 -0.832 1.00 0.28 C ATOM 152 C LEU A 13 14.156 5.746 -0.609 1.00 0.31 C ATOM 153 O LEU A 13 14.537 6.517 0.267 1.00 0.33 O ATOM 154 CB LEU A 13 12.260 4.202 -0.083 1.00 0.27 C ATOM 155 CG LEU A 13 10.749 4.053 0.193 1.00 0.27 C ATOM 156 CD1 LEU A 13 9.919 4.408 -1.015 1.00 0.74 C ATOM 157 CD2 LEU A 13 10.421 2.648 0.650 1.00 0.70 C ATOM 0 H LEU A 13 12.390 4.320 -2.548 1.00 0.29 H new ATOM 0 HA LEU A 13 12.115 6.310 -0.452 1.00 0.28 H new ATOM 0 HB2 LEU A 13 12.591 3.335 -0.655 1.00 0.27 H new ATOM 0 HB3 LEU A 13 12.787 4.174 0.871 1.00 0.27 H new ATOM 0 HG LEU A 13 10.500 4.754 0.990 1.00 0.27 H new ATOM 0 HD11 LEU A 13 8.862 4.290 -0.778 1.00 0.74 H new ATOM 0 HD12 LEU A 13 10.113 5.442 -1.299 1.00 0.74 H new ATOM 0 HD13 LEU A 13 10.181 3.749 -1.843 1.00 0.74 H new ATOM 0 HD21 LEU A 13 9.350 2.567 0.838 1.00 0.70 H new ATOM 0 HD22 LEU A 13 10.708 1.937 -0.125 1.00 0.70 H new ATOM 0 HD23 LEU A 13 10.968 2.426 1.566 1.00 0.70 H new ATOM 169 N ASN A 14 14.963 5.084 -1.406 1.00 0.35 N ATOM 170 CA ASN A 14 16.405 5.290 -1.444 1.00 0.41 C ATOM 171 C ASN A 14 16.765 6.767 -1.493 1.00 0.43 C ATOM 172 O ASN A 14 16.362 7.489 -2.405 1.00 0.84 O ATOM 173 CB ASN A 14 16.950 4.584 -2.676 1.00 0.52 C ATOM 174 CG ASN A 14 18.098 3.648 -2.373 1.00 0.81 C ATOM 175 OD1 ASN A 14 18.980 3.957 -1.570 1.00 1.39 O ATOM 176 ND2 ASN A 14 18.069 2.476 -2.988 1.00 0.65 N ATOM 0 H ASN A 14 14.636 4.373 -2.060 1.00 0.35 H new ATOM 0 HA ASN A 14 16.845 4.882 -0.534 1.00 0.41 H new ATOM 0 HB2 ASN A 14 16.146 4.020 -3.148 1.00 0.52 H new ATOM 0 HB3 ASN A 14 17.281 5.331 -3.397 1.00 0.52 H new ATOM 0 HD21 ASN A 14 18.797 1.785 -2.804 1.00 0.65 H new ATOM 0 HD22 ASN A 14 17.319 2.264 -3.646 1.00 0.65 H new ATOM 183 N GLY A 15 17.520 7.205 -0.503 1.00 0.48 N ATOM 184 CA GLY A 15 17.935 8.590 -0.440 1.00 0.49 C ATOM 185 C GLY A 15 17.013 9.433 0.411 1.00 0.46 C ATOM 186 O GLY A 15 17.297 10.603 0.678 1.00 0.56 O ATOM 0 H GLY A 15 17.856 6.623 0.264 1.00 0.48 H new ATOM 0 HA2 GLY A 15 18.947 8.645 -0.038 1.00 0.49 H new ATOM 0 HA3 GLY A 15 17.970 9.001 -1.449 1.00 0.49 H new ATOM 190 N LEU A 16 15.908 8.850 0.837 1.00 0.38 N ATOM 191 CA LEU A 16 14.916 9.576 1.606 1.00 0.35 C ATOM 192 C LEU A 16 14.901 9.141 3.062 1.00 0.35 C ATOM 193 O LEU A 16 15.454 8.105 3.430 1.00 0.37 O ATOM 194 CB LEU A 16 13.523 9.390 0.994 1.00 0.32 C ATOM 195 CG LEU A 16 13.165 10.341 -0.147 1.00 0.35 C ATOM 196 CD1 LEU A 16 13.376 11.772 0.297 1.00 0.94 C ATOM 197 CD2 LEU A 16 13.978 10.036 -1.395 1.00 0.82 C ATOM 0 H LEU A 16 15.675 7.872 0.662 1.00 0.38 H new ATOM 0 HA LEU A 16 15.188 10.631 1.573 1.00 0.35 H new ATOM 0 HB2 LEU A 16 13.442 8.367 0.628 1.00 0.32 H new ATOM 0 HB3 LEU A 16 12.781 9.506 1.784 1.00 0.32 H new ATOM 0 HG LEU A 16 12.114 10.199 -0.401 1.00 0.35 H new ATOM 0 HD11 LEU A 16 13.120 12.448 -0.519 1.00 0.94 H new ATOM 0 HD12 LEU A 16 12.740 11.984 1.157 1.00 0.94 H new ATOM 0 HD13 LEU A 16 14.420 11.917 0.574 1.00 0.94 H new ATOM 0 HD21 LEU A 16 13.700 10.730 -2.189 1.00 0.82 H new ATOM 0 HD22 LEU A 16 15.040 10.145 -1.173 1.00 0.82 H new ATOM 0 HD23 LEU A 16 13.778 9.015 -1.719 1.00 0.82 H new ATOM 209 N SER A 17 14.264 9.960 3.879 1.00 0.35 N ATOM 210 CA SER A 17 14.095 9.691 5.296 1.00 0.37 C ATOM 211 C SER A 17 12.827 8.876 5.524 1.00 0.33 C ATOM 212 O SER A 17 11.966 8.830 4.651 1.00 0.31 O ATOM 213 CB SER A 17 14.033 11.020 6.041 1.00 0.39 C ATOM 214 OG SER A 17 15.238 11.749 5.868 1.00 1.08 O ATOM 0 H SER A 17 13.845 10.839 3.575 1.00 0.35 H new ATOM 0 HA SER A 17 14.937 9.110 5.672 1.00 0.37 H new ATOM 0 HB2 SER A 17 13.191 11.608 5.676 1.00 0.39 H new ATOM 0 HB3 SER A 17 13.860 10.840 7.102 1.00 0.39 H new ATOM 0 HG SER A 17 15.178 12.599 6.352 1.00 1.08 H new ATOM 220 N PRO A 18 12.694 8.227 6.693 1.00 0.36 N ATOM 221 CA PRO A 18 11.587 7.302 6.983 1.00 0.35 C ATOM 222 C PRO A 18 10.208 7.857 6.617 1.00 0.31 C ATOM 223 O PRO A 18 9.436 7.185 5.938 1.00 0.29 O ATOM 224 CB PRO A 18 11.715 7.083 8.487 1.00 0.39 C ATOM 225 CG PRO A 18 13.175 7.223 8.735 1.00 0.42 C ATOM 226 CD PRO A 18 13.618 8.337 7.840 1.00 0.45 C ATOM 0 HA PRO A 18 11.656 6.389 6.391 1.00 0.35 H new ATOM 0 HB2 PRO A 18 11.140 7.818 9.050 1.00 0.39 H new ATOM 0 HB3 PRO A 18 11.350 6.099 8.782 1.00 0.39 H new ATOM 0 HG2 PRO A 18 13.377 7.454 9.781 1.00 0.42 H new ATOM 0 HG3 PRO A 18 13.704 6.298 8.505 1.00 0.42 H new ATOM 0 HD2 PRO A 18 13.538 9.306 8.332 1.00 0.45 H new ATOM 0 HD3 PRO A 18 14.658 8.220 7.534 1.00 0.45 H new ATOM 234 N GLN A 19 9.918 9.081 7.035 1.00 0.32 N ATOM 235 CA GLN A 19 8.630 9.712 6.743 1.00 0.32 C ATOM 236 C GLN A 19 8.501 10.029 5.253 1.00 0.29 C ATOM 237 O GLN A 19 7.417 9.948 4.690 1.00 0.28 O ATOM 238 CB GLN A 19 8.468 10.986 7.563 1.00 0.36 C ATOM 239 CG GLN A 19 7.100 11.615 7.413 1.00 0.71 C ATOM 240 CD GLN A 19 6.007 10.874 8.161 1.00 1.28 C ATOM 241 OE1 GLN A 19 6.353 10.258 9.279 1.00 2.00 O flip ATOM 242 NE2 GLN A 19 4.853 10.872 7.740 1.00 2.04 N flip ATOM 0 H GLN A 19 10.556 9.662 7.579 1.00 0.32 H new ATOM 0 HA GLN A 19 7.841 9.011 7.014 1.00 0.32 H new ATOM 0 HB2 GLN A 19 8.645 10.760 8.615 1.00 0.36 H new ATOM 0 HB3 GLN A 19 9.228 11.706 7.260 1.00 0.36 H new ATOM 0 HG2 GLN A 19 7.141 12.644 7.771 1.00 0.71 H new ATOM 0 HG3 GLN A 19 6.842 11.656 6.355 1.00 0.71 H new ATOM 0 HE21 GLN A 19 4.626 11.359 6.873 1.00 2.04 H new ATOM 0 HE22 GLN A 19 4.122 10.383 8.257 1.00 2.04 H new ATOM 251 N GLN A 20 9.615 10.350 4.608 1.00 0.28 N ATOM 252 CA GLN A 20 9.618 10.627 3.172 1.00 0.27 C ATOM 253 C GLN A 20 9.369 9.326 2.409 1.00 0.24 C ATOM 254 O GLN A 20 8.549 9.260 1.493 1.00 0.23 O ATOM 255 CB GLN A 20 10.975 11.186 2.737 1.00 0.30 C ATOM 256 CG GLN A 20 11.327 12.571 3.255 1.00 0.37 C ATOM 257 CD GLN A 20 10.435 13.666 2.708 1.00 0.95 C ATOM 258 OE1 GLN A 20 9.476 14.102 3.501 1.00 1.78 O flip ATOM 259 NE2 GLN A 20 10.651 14.163 1.604 1.00 1.68 N flip ATOM 0 H GLN A 20 10.529 10.426 5.054 1.00 0.28 H new ATOM 0 HA GLN A 20 8.838 11.357 2.957 1.00 0.27 H new ATOM 0 HB2 GLN A 20 11.751 10.492 3.060 1.00 0.30 H new ATOM 0 HB3 GLN A 20 11.002 11.210 1.648 1.00 0.30 H new ATOM 0 HG2 GLN A 20 11.262 12.570 4.343 1.00 0.37 H new ATOM 0 HG3 GLN A 20 12.362 12.794 2.997 1.00 0.37 H new ATOM 0 HE21 GLN A 20 11.402 13.798 1.019 1.00 1.68 H new ATOM 0 HE22 GLN A 20 10.079 14.940 1.274 1.00 1.68 H new ATOM 268 N GLN A 21 10.116 8.300 2.809 1.00 0.24 N ATOM 269 CA GLN A 21 9.973 6.944 2.286 1.00 0.22 C ATOM 270 C GLN A 21 8.566 6.434 2.523 1.00 0.21 C ATOM 271 O GLN A 21 8.022 5.661 1.735 1.00 0.25 O ATOM 272 CB GLN A 21 10.987 6.033 2.987 1.00 0.25 C ATOM 273 CG GLN A 21 12.431 6.367 2.651 1.00 0.28 C ATOM 274 CD GLN A 21 13.439 5.490 3.378 1.00 0.35 C ATOM 275 OE1 GLN A 21 13.086 5.028 4.565 1.00 1.22 O flip ATOM 276 NE2 GLN A 21 14.528 5.227 2.872 1.00 1.06 N flip ATOM 0 H GLN A 21 10.847 8.388 3.515 1.00 0.24 H new ATOM 0 HA GLN A 21 10.160 6.947 1.212 1.00 0.22 H new ATOM 0 HB2 GLN A 21 10.846 6.107 4.065 1.00 0.25 H new ATOM 0 HB3 GLN A 21 10.787 4.998 2.710 1.00 0.25 H new ATOM 0 HG2 GLN A 21 12.579 6.264 1.576 1.00 0.28 H new ATOM 0 HG3 GLN A 21 12.622 7.411 2.900 1.00 0.28 H new ATOM 0 HE21 GLN A 21 14.767 5.601 1.954 1.00 1.06 H new ATOM 0 HE22 GLN A 21 15.192 4.635 3.370 1.00 1.06 H new ATOM 285 N GLN A 22 7.989 6.880 3.621 1.00 0.21 N ATOM 286 CA GLN A 22 6.640 6.537 3.979 1.00 0.21 C ATOM 287 C GLN A 22 5.696 7.114 2.952 1.00 0.18 C ATOM 288 O GLN A 22 4.924 6.396 2.335 1.00 0.17 O ATOM 289 CB GLN A 22 6.342 7.129 5.337 1.00 0.27 C ATOM 290 CG GLN A 22 5.435 6.302 6.189 1.00 0.46 C ATOM 291 CD GLN A 22 5.202 6.897 7.561 1.00 0.92 C ATOM 292 OE1 GLN A 22 4.263 7.667 7.762 1.00 1.56 O ATOM 293 NE2 GLN A 22 6.046 6.541 8.513 1.00 1.60 N ATOM 0 H GLN A 22 8.452 7.495 4.290 1.00 0.21 H new ATOM 0 HA GLN A 22 6.516 5.455 4.012 1.00 0.21 H new ATOM 0 HB2 GLN A 22 7.282 7.279 5.868 1.00 0.27 H new ATOM 0 HB3 GLN A 22 5.893 8.113 5.200 1.00 0.27 H new ATOM 0 HG2 GLN A 22 4.477 6.186 5.683 1.00 0.46 H new ATOM 0 HG3 GLN A 22 5.860 5.304 6.300 1.00 0.46 H new ATOM 0 HE21 GLN A 22 6.811 5.900 8.303 1.00 1.60 H new ATOM 0 HE22 GLN A 22 5.933 6.907 9.458 1.00 1.60 H new ATOM 302 N GLN A 23 5.815 8.419 2.781 1.00 0.19 N ATOM 303 CA GLN A 23 5.035 9.200 1.817 1.00 0.18 C ATOM 304 C GLN A 23 4.869 8.530 0.464 1.00 0.15 C ATOM 305 O GLN A 23 3.790 8.564 -0.105 1.00 0.15 O ATOM 306 CB GLN A 23 5.706 10.525 1.612 1.00 0.20 C ATOM 307 CG GLN A 23 5.630 11.401 2.841 1.00 0.24 C ATOM 308 CD GLN A 23 6.485 12.642 2.762 1.00 0.30 C ATOM 309 OE1 GLN A 23 6.787 13.139 1.680 1.00 1.05 O ATOM 310 NE2 GLN A 23 6.845 13.174 3.917 1.00 1.24 N ATOM 0 H GLN A 23 6.471 8.986 3.319 1.00 0.19 H new ATOM 0 HA GLN A 23 4.036 9.304 2.241 1.00 0.18 H new ATOM 0 HB2 GLN A 23 6.751 10.364 1.347 1.00 0.20 H new ATOM 0 HB3 GLN A 23 5.240 11.040 0.772 1.00 0.20 H new ATOM 0 HG2 GLN A 23 4.593 11.696 3.001 1.00 0.24 H new ATOM 0 HG3 GLN A 23 5.933 10.818 3.710 1.00 0.24 H new ATOM 0 HE21 GLN A 23 6.572 12.727 4.792 1.00 1.24 H new ATOM 0 HE22 GLN A 23 7.396 14.032 3.934 1.00 1.24 H new ATOM 319 N THR A 24 5.936 7.959 -0.061 1.00 0.15 N ATOM 320 CA THR A 24 5.883 7.272 -1.340 1.00 0.14 C ATOM 321 C THR A 24 4.850 6.149 -1.323 1.00 0.12 C ATOM 322 O THR A 24 4.024 6.048 -2.227 1.00 0.12 O ATOM 323 CB THR A 24 7.268 6.721 -1.680 1.00 0.16 C ATOM 324 OG1 THR A 24 8.119 7.790 -2.110 1.00 0.19 O ATOM 325 CG2 THR A 24 7.190 5.640 -2.746 1.00 0.17 C ATOM 0 H THR A 24 6.856 7.957 0.380 1.00 0.15 H new ATOM 0 HA THR A 24 5.579 7.986 -2.106 1.00 0.14 H new ATOM 0 HB THR A 24 7.686 6.265 -0.783 1.00 0.16 H new ATOM 0 HG1 THR A 24 9.056 7.518 -2.020 1.00 0.19 H new ATOM 0 HG21 THR A 24 8.192 5.271 -2.964 1.00 0.17 H new ATOM 0 HG22 THR A 24 6.570 4.818 -2.386 1.00 0.17 H new ATOM 0 HG23 THR A 24 6.751 6.055 -3.654 1.00 0.17 H new ATOM 333 N LEU A 25 4.867 5.339 -0.280 1.00 0.12 N ATOM 334 CA LEU A 25 3.862 4.297 -0.126 1.00 0.11 C ATOM 335 C LEU A 25 2.559 4.954 0.263 1.00 0.11 C ATOM 336 O LEU A 25 1.499 4.612 -0.227 1.00 0.10 O ATOM 337 CB LEU A 25 4.264 3.332 0.966 1.00 0.12 C ATOM 338 CG LEU A 25 5.607 2.653 0.787 1.00 0.14 C ATOM 339 CD1 LEU A 25 6.186 2.328 2.149 1.00 0.32 C ATOM 340 CD2 LEU A 25 5.449 1.394 -0.045 1.00 0.39 C ATOM 0 H LEU A 25 5.559 5.380 0.469 1.00 0.12 H new ATOM 0 HA LEU A 25 3.762 3.748 -1.062 1.00 0.11 H new ATOM 0 HB2 LEU A 25 4.274 3.870 1.914 1.00 0.12 H new ATOM 0 HB3 LEU A 25 3.497 2.562 1.044 1.00 0.12 H new ATOM 0 HG LEU A 25 6.289 3.322 0.262 1.00 0.14 H new ATOM 0 HD11 LEU A 25 7.152 1.839 2.026 1.00 0.32 H new ATOM 0 HD12 LEU A 25 6.315 3.248 2.719 1.00 0.32 H new ATOM 0 HD13 LEU A 25 5.508 1.662 2.683 1.00 0.32 H new ATOM 0 HD21 LEU A 25 6.420 0.914 -0.167 1.00 0.39 H new ATOM 0 HD22 LEU A 25 4.767 0.709 0.458 1.00 0.39 H new ATOM 0 HD23 LEU A 25 5.047 1.653 -1.024 1.00 0.39 H new ATOM 352 N ALA A 26 2.674 5.952 1.117 1.00 0.12 N ATOM 353 CA ALA A 26 1.534 6.707 1.605 1.00 0.13 C ATOM 354 C ALA A 26 0.947 7.586 0.503 1.00 0.13 C ATOM 355 O ALA A 26 0.101 8.448 0.741 1.00 0.16 O ATOM 356 CB ALA A 26 1.981 7.533 2.802 1.00 0.16 C ATOM 0 H ALA A 26 3.568 6.265 1.495 1.00 0.12 H new ATOM 0 HA ALA A 26 0.742 6.025 1.914 1.00 0.13 H new ATOM 0 HB1 ALA A 26 1.137 8.108 3.183 1.00 0.16 H new ATOM 0 HB2 ALA A 26 2.351 6.870 3.584 1.00 0.16 H new ATOM 0 HB3 ALA A 26 2.776 8.214 2.498 1.00 0.16 H new ATOM 362 N THR A 27 1.426 7.344 -0.698 1.00 0.12 N ATOM 363 CA THR A 27 0.951 7.981 -1.891 1.00 0.12 C ATOM 364 C THR A 27 0.551 6.907 -2.890 1.00 0.11 C ATOM 365 O THR A 27 -0.540 6.927 -3.441 1.00 0.11 O ATOM 366 CB THR A 27 2.058 8.870 -2.484 1.00 0.15 C ATOM 367 OG1 THR A 27 2.185 10.075 -1.717 1.00 0.20 O ATOM 368 CG2 THR A 27 1.804 9.178 -3.948 1.00 0.15 C ATOM 0 H THR A 27 2.179 6.677 -0.868 1.00 0.12 H new ATOM 0 HA THR A 27 0.089 8.608 -1.661 1.00 0.12 H new ATOM 0 HB THR A 27 2.999 8.322 -2.432 1.00 0.15 H new ATOM 0 HG1 THR A 27 2.766 9.912 -0.945 1.00 0.20 H new ATOM 0 HG21 THR A 27 2.607 9.808 -4.332 1.00 0.15 H new ATOM 0 HG22 THR A 27 1.770 8.248 -4.515 1.00 0.15 H new ATOM 0 HG23 THR A 27 0.853 9.700 -4.050 1.00 0.15 H new ATOM 376 N LEU A 28 1.448 5.953 -3.073 1.00 0.09 N ATOM 377 CA LEU A 28 1.260 4.845 -3.979 1.00 0.09 C ATOM 378 C LEU A 28 0.188 3.896 -3.494 1.00 0.08 C ATOM 379 O LEU A 28 -0.640 3.431 -4.264 1.00 0.08 O ATOM 380 CB LEU A 28 2.561 4.083 -4.110 1.00 0.10 C ATOM 381 CG LEU A 28 2.371 2.624 -4.489 1.00 0.11 C ATOM 382 CD1 LEU A 28 2.435 2.426 -5.989 1.00 0.42 C ATOM 383 CD2 LEU A 28 3.358 1.744 -3.753 1.00 0.49 C ATOM 0 H LEU A 28 2.343 5.931 -2.584 1.00 0.09 H new ATOM 0 HA LEU A 28 0.947 5.251 -4.941 1.00 0.09 H new ATOM 0 HB2 LEU A 28 3.183 4.568 -4.862 1.00 0.10 H new ATOM 0 HB3 LEU A 28 3.102 4.138 -3.165 1.00 0.10 H new ATOM 0 HG LEU A 28 1.371 2.321 -4.178 1.00 0.11 H new ATOM 0 HD11 LEU A 28 2.295 1.371 -6.223 1.00 0.42 H new ATOM 0 HD12 LEU A 28 1.649 3.011 -6.467 1.00 0.42 H new ATOM 0 HD13 LEU A 28 3.407 2.754 -6.358 1.00 0.42 H new ATOM 0 HD21 LEU A 28 3.203 0.704 -4.040 1.00 0.49 H new ATOM 0 HD22 LEU A 28 4.374 2.044 -4.009 1.00 0.49 H new ATOM 0 HD23 LEU A 28 3.209 1.850 -2.678 1.00 0.49 H new ATOM 395 N VAL A 29 0.233 3.597 -2.220 1.00 0.08 N ATOM 396 CA VAL A 29 -0.718 2.692 -1.608 1.00 0.09 C ATOM 397 C VAL A 29 -2.104 3.297 -1.666 1.00 0.08 C ATOM 398 O VAL A 29 -3.114 2.610 -1.838 1.00 0.09 O ATOM 399 CB VAL A 29 -0.334 2.403 -0.149 1.00 0.10 C ATOM 400 CG1 VAL A 29 -1.474 1.721 0.591 1.00 0.11 C ATOM 401 CG2 VAL A 29 0.926 1.555 -0.113 1.00 0.10 C ATOM 0 H VAL A 29 0.928 3.972 -1.575 1.00 0.08 H new ATOM 0 HA VAL A 29 -0.708 1.751 -2.158 1.00 0.09 H new ATOM 0 HB VAL A 29 -0.137 3.348 0.358 1.00 0.10 H new ATOM 0 HG11 VAL A 29 -1.175 1.528 1.621 1.00 0.11 H new ATOM 0 HG12 VAL A 29 -2.351 2.368 0.583 1.00 0.11 H new ATOM 0 HG13 VAL A 29 -1.714 0.778 0.100 1.00 0.11 H new ATOM 0 HG21 VAL A 29 1.198 1.351 0.923 1.00 0.10 H new ATOM 0 HG22 VAL A 29 0.746 0.614 -0.634 1.00 0.10 H new ATOM 0 HG23 VAL A 29 1.739 2.091 -0.602 1.00 0.10 H new ATOM 411 N ALA A 30 -2.131 4.601 -1.549 1.00 0.08 N ATOM 412 CA ALA A 30 -3.356 5.342 -1.658 1.00 0.08 C ATOM 413 C ALA A 30 -3.739 5.498 -3.109 1.00 0.09 C ATOM 414 O ALA A 30 -4.903 5.566 -3.440 1.00 0.10 O ATOM 415 CB ALA A 30 -3.185 6.685 -1.013 1.00 0.08 C ATOM 0 H ALA A 30 -1.305 5.175 -1.376 1.00 0.08 H new ATOM 0 HA ALA A 30 -4.154 4.802 -1.148 1.00 0.08 H new ATOM 0 HB1 ALA A 30 -4.114 7.249 -1.095 1.00 0.08 H new ATOM 0 HB2 ALA A 30 -2.932 6.554 0.039 1.00 0.08 H new ATOM 0 HB3 ALA A 30 -2.385 7.230 -1.514 1.00 0.08 H new ATOM 421 N ALA A 31 -2.734 5.571 -3.957 1.00 0.08 N ATOM 422 CA ALA A 31 -2.926 5.601 -5.393 1.00 0.09 C ATOM 423 C ALA A 31 -3.551 4.292 -5.826 1.00 0.09 C ATOM 424 O ALA A 31 -4.433 4.237 -6.682 1.00 0.11 O ATOM 425 CB ALA A 31 -1.586 5.822 -6.082 1.00 0.10 C ATOM 0 H ALA A 31 -1.756 5.611 -3.669 1.00 0.08 H new ATOM 0 HA ALA A 31 -3.589 6.420 -5.672 1.00 0.09 H new ATOM 0 HB1 ALA A 31 -1.732 5.844 -7.162 1.00 0.10 H new ATOM 0 HB2 ALA A 31 -1.160 6.770 -5.754 1.00 0.10 H new ATOM 0 HB3 ALA A 31 -0.906 5.010 -5.824 1.00 0.10 H new ATOM 431 N ALA A 32 -3.063 3.243 -5.197 1.00 0.09 N ATOM 432 CA ALA A 32 -3.613 1.915 -5.315 1.00 0.10 C ATOM 433 C ALA A 32 -5.083 1.895 -4.915 1.00 0.09 C ATOM 434 O ALA A 32 -5.926 1.382 -5.651 1.00 0.10 O ATOM 435 CB ALA A 32 -2.806 0.985 -4.431 1.00 0.12 C ATOM 0 H ALA A 32 -2.255 3.295 -4.577 1.00 0.09 H new ATOM 0 HA ALA A 32 -3.556 1.586 -6.353 1.00 0.10 H new ATOM 0 HB1 ALA A 32 -3.206 -0.026 -4.506 1.00 0.12 H new ATOM 0 HB2 ALA A 32 -1.765 0.988 -4.754 1.00 0.12 H new ATOM 0 HB3 ALA A 32 -2.866 1.323 -3.397 1.00 0.12 H new ATOM 441 N THR A 33 -5.401 2.474 -3.761 1.00 0.08 N ATOM 442 CA THR A 33 -6.782 2.496 -3.307 1.00 0.07 C ATOM 443 C THR A 33 -7.578 3.553 -4.077 1.00 0.08 C ATOM 444 O THR A 33 -8.804 3.513 -4.152 1.00 0.10 O ATOM 445 CB THR A 33 -6.876 2.766 -1.796 1.00 0.08 C ATOM 446 OG1 THR A 33 -5.903 1.978 -1.095 1.00 0.09 O ATOM 447 CG2 THR A 33 -8.267 2.429 -1.281 1.00 0.09 C ATOM 0 H THR A 33 -4.734 2.925 -3.136 1.00 0.08 H new ATOM 0 HA THR A 33 -7.209 1.512 -3.501 1.00 0.07 H new ATOM 0 HB THR A 33 -6.680 3.824 -1.622 1.00 0.08 H new ATOM 0 HG1 THR A 33 -5.005 2.319 -1.289 1.00 0.09 H new ATOM 0 HG21 THR A 33 -8.316 2.626 -0.210 1.00 0.09 H new ATOM 0 HG22 THR A 33 -9.005 3.043 -1.797 1.00 0.09 H new ATOM 0 HG23 THR A 33 -8.478 1.376 -1.466 1.00 0.09 H new ATOM 455 N ALA A 34 -6.874 4.499 -4.659 1.00 0.08 N ATOM 456 CA ALA A 34 -7.498 5.473 -5.522 1.00 0.09 C ATOM 457 C ALA A 34 -7.953 4.793 -6.799 1.00 0.11 C ATOM 458 O ALA A 34 -8.940 5.183 -7.414 1.00 0.20 O ATOM 459 CB ALA A 34 -6.541 6.613 -5.812 1.00 0.10 C ATOM 0 H ALA A 34 -5.866 4.613 -4.549 1.00 0.08 H new ATOM 0 HA ALA A 34 -8.370 5.897 -5.025 1.00 0.09 H new ATOM 0 HB1 ALA A 34 -7.027 7.339 -6.464 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -6.258 7.097 -4.877 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -5.649 6.224 -6.303 1.00 0.10 H new ATOM 465 N THR A 35 -7.235 3.748 -7.169 1.00 0.11 N ATOM 466 CA THR A 35 -7.587 2.927 -8.291 1.00 0.12 C ATOM 467 C THR A 35 -8.805 2.059 -7.964 1.00 0.11 C ATOM 468 O THR A 35 -9.792 2.054 -8.702 1.00 0.14 O ATOM 469 CB THR A 35 -6.391 2.036 -8.668 1.00 0.16 C ATOM 470 OG1 THR A 35 -5.550 2.702 -9.622 1.00 0.22 O ATOM 471 CG2 THR A 35 -6.861 0.700 -9.197 1.00 0.17 C ATOM 0 H THR A 35 -6.386 3.451 -6.689 1.00 0.11 H new ATOM 0 HA THR A 35 -7.842 3.570 -9.133 1.00 0.12 H new ATOM 0 HB THR A 35 -5.804 1.850 -7.769 1.00 0.16 H new ATOM 0 HG1 THR A 35 -4.793 2.123 -9.851 1.00 0.22 H new ATOM 0 HG21 THR A 35 -5.998 0.087 -9.457 1.00 0.17 H new ATOM 0 HG22 THR A 35 -7.449 0.192 -8.432 1.00 0.17 H new ATOM 0 HG23 THR A 35 -7.476 0.856 -10.084 1.00 0.17 H new ATOM 479 N VAL A 36 -8.736 1.353 -6.834 1.00 0.10 N ATOM 480 CA VAL A 36 -9.756 0.374 -6.472 1.00 0.11 C ATOM 481 C VAL A 36 -11.151 0.994 -6.398 1.00 0.13 C ATOM 482 O VAL A 36 -12.149 0.330 -6.673 1.00 0.17 O ATOM 483 CB VAL A 36 -9.439 -0.319 -5.126 1.00 0.09 C ATOM 484 CG1 VAL A 36 -8.195 -1.176 -5.204 1.00 0.18 C ATOM 485 CG2 VAL A 36 -9.326 0.673 -4.005 1.00 0.16 C ATOM 0 H VAL A 36 -7.981 1.443 -6.154 1.00 0.10 H new ATOM 0 HA VAL A 36 -9.745 -0.371 -7.267 1.00 0.11 H new ATOM 0 HB VAL A 36 -10.281 -0.978 -4.913 1.00 0.09 H new ATOM 0 HG11 VAL A 36 -8.013 -1.642 -4.236 1.00 0.18 H new ATOM 0 HG12 VAL A 36 -8.333 -1.950 -5.959 1.00 0.18 H new ATOM 0 HG13 VAL A 36 -7.341 -0.554 -5.474 1.00 0.18 H new ATOM 0 HG21 VAL A 36 -9.103 0.148 -3.076 1.00 0.16 H new ATOM 0 HG22 VAL A 36 -8.526 1.380 -4.224 1.00 0.16 H new ATOM 0 HG23 VAL A 36 -10.267 1.212 -3.900 1.00 0.16 H new ATOM 495 N LEU A 37 -11.221 2.266 -6.036 1.00 0.12 N ATOM 496 CA LEU A 37 -12.508 2.930 -5.860 1.00 0.16 C ATOM 497 C LEU A 37 -12.858 3.840 -7.036 1.00 0.25 C ATOM 498 O LEU A 37 -13.878 4.526 -7.013 1.00 0.65 O ATOM 499 CB LEU A 37 -12.473 3.759 -4.586 1.00 0.15 C ATOM 500 CG LEU A 37 -11.813 3.073 -3.403 1.00 0.13 C ATOM 501 CD1 LEU A 37 -11.547 4.075 -2.303 1.00 0.18 C ATOM 502 CD2 LEU A 37 -12.677 1.930 -2.908 1.00 0.15 C ATOM 0 H LEU A 37 -10.409 2.858 -5.859 1.00 0.12 H new ATOM 0 HA LEU A 37 -13.272 2.155 -5.801 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -11.946 4.691 -4.789 1.00 0.15 H new ATOM 0 HB3 LEU A 37 -13.494 4.024 -4.312 1.00 0.15 H new ATOM 0 HG LEU A 37 -10.857 2.657 -3.721 1.00 0.13 H new ATOM 0 HD11 LEU A 37 -11.074 3.572 -1.460 1.00 0.18 H new ATOM 0 HD12 LEU A 37 -10.887 4.858 -2.676 1.00 0.18 H new ATOM 0 HD13 LEU A 37 -12.489 4.518 -1.979 1.00 0.18 H new ATOM 0 HD21 LEU A 37 -12.191 1.448 -2.060 1.00 0.15 H new ATOM 0 HD22 LEU A 37 -13.648 2.316 -2.599 1.00 0.15 H new ATOM 0 HD23 LEU A 37 -12.814 1.204 -3.709 1.00 0.15 H new ATOM 514 N GLY A 38 -12.010 3.848 -8.058 1.00 0.43 N ATOM 515 CA GLY A 38 -12.230 4.722 -9.198 1.00 0.49 C ATOM 516 C GLY A 38 -12.120 6.197 -8.840 1.00 0.51 C ATOM 517 O GLY A 38 -12.932 7.010 -9.274 1.00 0.62 O ATOM 0 H GLY A 38 -11.175 3.266 -8.119 1.00 0.43 H new ATOM 0 HA2 GLY A 38 -11.504 4.487 -9.976 1.00 0.49 H new ATOM 0 HA3 GLY A 38 -13.218 4.527 -9.615 1.00 0.49 H new ATOM 521 N HIS A 39 -11.116 6.540 -8.044 1.00 0.57 N ATOM 522 CA HIS A 39 -10.893 7.925 -7.629 1.00 0.68 C ATOM 523 C HIS A 39 -9.661 8.503 -8.320 1.00 0.82 C ATOM 524 O HIS A 39 -9.463 9.716 -8.337 1.00 1.81 O ATOM 525 CB HIS A 39 -10.728 8.018 -6.106 1.00 0.65 C ATOM 526 CG HIS A 39 -12.025 7.959 -5.347 1.00 0.73 C ATOM 527 ND1 HIS A 39 -12.356 8.850 -4.349 1.00 1.09 N ATOM 528 CD2 HIS A 39 -13.065 7.097 -5.434 1.00 0.67 C ATOM 529 CE1 HIS A 39 -13.540 8.535 -3.856 1.00 1.15 C ATOM 530 NE2 HIS A 39 -13.994 7.475 -4.496 1.00 0.88 N ATOM 0 H HIS A 39 -10.438 5.877 -7.669 1.00 0.57 H new ATOM 0 HA HIS A 39 -11.767 8.507 -7.922 1.00 0.68 H new ATOM 0 HB2 HIS A 39 -10.085 7.205 -5.770 1.00 0.65 H new ATOM 0 HB3 HIS A 39 -10.218 8.950 -5.862 1.00 0.65 H new ATOM 0 HD2 HIS A 39 -13.149 6.264 -6.116 1.00 0.67 H new ATOM 0 HE1 HIS A 39 -14.051 9.058 -3.061 1.00 1.15 H new ATOM 0 HE2 HIS A 39 -14.887 7.013 -4.323 1.00 0.88 H new ATOM 539 N HIS A 40 -8.842 7.609 -8.878 1.00 0.53 N ATOM 540 CA HIS A 40 -7.625 7.965 -9.618 1.00 0.48 C ATOM 541 C HIS A 40 -6.536 8.532 -8.705 1.00 0.45 C ATOM 542 O HIS A 40 -5.464 7.939 -8.580 1.00 0.59 O ATOM 543 CB HIS A 40 -7.927 8.951 -10.756 1.00 0.58 C ATOM 544 CG HIS A 40 -6.792 9.127 -11.727 1.00 0.73 C ATOM 545 ND1 HIS A 40 -6.921 9.814 -12.912 1.00 1.35 N ATOM 546 CD2 HIS A 40 -5.504 8.696 -11.690 1.00 0.62 C ATOM 547 CE1 HIS A 40 -5.774 9.796 -13.560 1.00 1.46 C ATOM 548 NE2 HIS A 40 -4.896 9.125 -12.841 1.00 0.94 N ATOM 0 H HIS A 40 -9.006 6.603 -8.829 1.00 0.53 H new ATOM 0 HA HIS A 40 -7.247 7.039 -10.051 1.00 0.48 H new ATOM 0 HB2 HIS A 40 -8.807 8.605 -11.299 1.00 0.58 H new ATOM 0 HB3 HIS A 40 -8.178 9.921 -10.326 1.00 0.58 H new ATOM 0 HD2 HIS A 40 -5.044 8.121 -10.900 1.00 0.62 H new ATOM 0 HE1 HIS A 40 -5.585 10.254 -14.519 1.00 1.46 H new ATOM 0 HE2 HIS A 40 -3.924 8.953 -13.099 1.00 0.94 H new ATOM 557 N THR A 41 -6.793 9.671 -8.080 1.00 0.46 N ATOM 558 CA THR A 41 -5.762 10.328 -7.297 1.00 0.55 C ATOM 559 C THR A 41 -5.824 9.925 -5.824 1.00 0.37 C ATOM 560 O THR A 41 -6.899 9.751 -5.240 1.00 0.45 O ATOM 561 CB THR A 41 -5.819 11.868 -7.413 1.00 0.92 C ATOM 562 OG1 THR A 41 -4.696 12.461 -6.746 1.00 1.97 O ATOM 563 CG2 THR A 41 -7.096 12.419 -6.815 1.00 0.56 C ATOM 0 H THR A 41 -7.692 10.152 -8.099 1.00 0.46 H new ATOM 0 HA THR A 41 -4.814 9.991 -7.717 1.00 0.55 H new ATOM 0 HB THR A 41 -5.792 12.117 -8.474 1.00 0.92 H new ATOM 0 HG1 THR A 41 -4.857 13.420 -6.624 1.00 1.97 H new ATOM 0 HG21 THR A 41 -7.105 13.505 -6.913 1.00 0.56 H new ATOM 0 HG22 THR A 41 -7.954 12.000 -7.341 1.00 0.56 H new ATOM 0 HG23 THR A 41 -7.150 12.149 -5.760 1.00 0.56 H new ATOM 571 N PRO A 42 -4.638 9.782 -5.221 1.00 0.24 N ATOM 572 CA PRO A 42 -4.468 9.452 -3.802 1.00 0.27 C ATOM 573 C PRO A 42 -4.895 10.598 -2.901 1.00 0.40 C ATOM 574 O PRO A 42 -5.033 10.440 -1.691 1.00 0.50 O ATOM 575 CB PRO A 42 -2.961 9.226 -3.642 1.00 0.31 C ATOM 576 CG PRO A 42 -2.397 9.216 -5.020 1.00 0.29 C ATOM 577 CD PRO A 42 -3.358 9.957 -5.898 1.00 0.27 C ATOM 0 HA PRO A 42 -5.075 8.591 -3.523 1.00 0.27 H new ATOM 0 HB2 PRO A 42 -2.510 10.016 -3.042 1.00 0.31 H new ATOM 0 HB3 PRO A 42 -2.760 8.284 -3.132 1.00 0.31 H new ATOM 0 HG2 PRO A 42 -1.416 9.690 -5.037 1.00 0.29 H new ATOM 0 HG3 PRO A 42 -2.263 8.194 -5.373 1.00 0.29 H new ATOM 0 HD2 PRO A 42 -3.091 11.010 -5.987 1.00 0.27 H new ATOM 0 HD3 PRO A 42 -3.378 9.547 -6.908 1.00 0.27 H new ATOM 585 N GLU A 43 -5.082 11.756 -3.510 1.00 0.43 N ATOM 586 CA GLU A 43 -5.491 12.957 -2.795 1.00 0.55 C ATOM 587 C GLU A 43 -6.874 12.785 -2.177 1.00 0.52 C ATOM 588 O GLU A 43 -7.201 13.413 -1.171 1.00 0.61 O ATOM 589 CB GLU A 43 -5.475 14.145 -3.746 1.00 0.68 C ATOM 590 CG GLU A 43 -4.088 14.480 -4.239 1.00 0.69 C ATOM 591 CD GLU A 43 -4.096 15.488 -5.365 1.00 1.18 C ATOM 592 OE1 GLU A 43 -3.831 16.679 -5.104 1.00 1.38 O ATOM 593 OE2 GLU A 43 -4.369 15.092 -6.518 1.00 1.82 O ATOM 0 H GLU A 43 -4.955 11.892 -4.513 1.00 0.43 H new ATOM 0 HA GLU A 43 -4.787 13.136 -1.983 1.00 0.55 H new ATOM 0 HB2 GLU A 43 -6.117 13.930 -4.600 1.00 0.68 H new ATOM 0 HB3 GLU A 43 -5.896 15.014 -3.241 1.00 0.68 H new ATOM 0 HG2 GLU A 43 -3.497 14.872 -3.411 1.00 0.69 H new ATOM 0 HG3 GLU A 43 -3.597 13.568 -4.577 1.00 0.69 H new ATOM 600 N SER A 44 -7.681 11.928 -2.783 1.00 0.44 N ATOM 601 CA SER A 44 -9.002 11.621 -2.263 1.00 0.43 C ATOM 602 C SER A 44 -8.916 10.501 -1.224 1.00 0.35 C ATOM 603 O SER A 44 -9.791 10.348 -0.369 1.00 0.49 O ATOM 604 CB SER A 44 -9.919 11.219 -3.418 1.00 0.50 C ATOM 605 OG SER A 44 -11.233 10.925 -2.976 1.00 0.97 O ATOM 0 H SER A 44 -7.441 11.431 -3.641 1.00 0.44 H new ATOM 0 HA SER A 44 -9.414 12.504 -1.774 1.00 0.43 H new ATOM 0 HB2 SER A 44 -9.955 12.026 -4.150 1.00 0.50 H new ATOM 0 HB3 SER A 44 -9.503 10.348 -3.924 1.00 0.50 H new ATOM 0 HG SER A 44 -11.691 10.381 -3.650 1.00 0.97 H new ATOM 611 N ILE A 45 -7.838 9.737 -1.302 1.00 0.19 N ATOM 612 CA ILE A 45 -7.640 8.577 -0.447 1.00 0.13 C ATOM 613 C ILE A 45 -6.950 8.965 0.853 1.00 0.13 C ATOM 614 O ILE A 45 -5.724 9.060 0.913 1.00 0.19 O ATOM 615 CB ILE A 45 -6.795 7.513 -1.168 1.00 0.11 C ATOM 616 CG1 ILE A 45 -7.404 7.202 -2.533 1.00 0.12 C ATOM 617 CG2 ILE A 45 -6.663 6.240 -0.336 1.00 0.10 C ATOM 618 CD1 ILE A 45 -8.839 6.732 -2.484 1.00 0.11 C ATOM 0 H ILE A 45 -7.076 9.903 -1.959 1.00 0.19 H new ATOM 0 HA ILE A 45 -8.624 8.168 -0.217 1.00 0.13 H new ATOM 0 HB ILE A 45 -5.792 7.916 -1.307 1.00 0.11 H new ATOM 0 HG12 ILE A 45 -7.348 8.096 -3.154 1.00 0.12 H new ATOM 0 HG13 ILE A 45 -6.800 6.437 -3.021 1.00 0.12 H new ATOM 0 HG21 ILE A 45 -6.060 5.512 -0.878 1.00 0.10 H new ATOM 0 HG22 ILE A 45 -6.182 6.474 0.614 1.00 0.10 H new ATOM 0 HG23 ILE A 45 -7.653 5.823 -0.149 1.00 0.10 H new ATOM 0 HD11 ILE A 45 -9.192 6.534 -3.496 1.00 0.11 H new ATOM 0 HD12 ILE A 45 -8.903 5.819 -1.892 1.00 0.11 H new ATOM 0 HD13 ILE A 45 -9.459 7.504 -2.028 1.00 0.11 H new ATOM 630 N SER A 46 -7.741 9.194 1.886 1.00 0.11 N ATOM 631 CA SER A 46 -7.203 9.532 3.191 1.00 0.12 C ATOM 632 C SER A 46 -6.628 8.278 3.850 1.00 0.11 C ATOM 633 O SER A 46 -7.126 7.174 3.630 1.00 0.12 O ATOM 634 CB SER A 46 -8.300 10.150 4.044 1.00 0.16 C ATOM 635 OG SER A 46 -9.080 11.053 3.273 1.00 1.18 O ATOM 0 H SER A 46 -8.759 9.152 1.846 1.00 0.11 H new ATOM 0 HA SER A 46 -6.398 10.259 3.087 1.00 0.12 H new ATOM 0 HB2 SER A 46 -8.938 9.365 4.451 1.00 0.16 H new ATOM 0 HB3 SER A 46 -7.858 10.674 4.892 1.00 0.16 H new ATOM 0 HG SER A 46 -9.783 11.441 3.835 1.00 1.18 H new ATOM 641 N PRO A 47 -5.598 8.426 4.696 1.00 0.12 N ATOM 642 CA PRO A 47 -4.802 7.313 5.184 1.00 0.12 C ATOM 643 C PRO A 47 -5.331 6.763 6.483 1.00 0.10 C ATOM 644 O PRO A 47 -4.889 5.718 6.956 1.00 0.11 O ATOM 645 CB PRO A 47 -3.453 7.983 5.404 1.00 0.15 C ATOM 646 CG PRO A 47 -3.804 9.347 5.902 1.00 0.17 C ATOM 647 CD PRO A 47 -5.162 9.685 5.322 1.00 0.16 C ATOM 0 HA PRO A 47 -4.789 6.461 4.504 1.00 0.12 H new ATOM 0 HB2 PRO A 47 -2.849 7.437 6.129 1.00 0.15 H new ATOM 0 HB3 PRO A 47 -2.876 8.031 4.481 1.00 0.15 H new ATOM 0 HG2 PRO A 47 -3.833 9.366 6.991 1.00 0.17 H new ATOM 0 HG3 PRO A 47 -3.057 10.077 5.590 1.00 0.17 H new ATOM 0 HD2 PRO A 47 -5.858 10.010 6.095 1.00 0.16 H new ATOM 0 HD3 PRO A 47 -5.096 10.493 4.593 1.00 0.16 H new ATOM 655 N ALA A 48 -6.290 7.465 7.044 1.00 0.12 N ATOM 656 CA ALA A 48 -6.772 7.150 8.357 1.00 0.13 C ATOM 657 C ALA A 48 -8.282 6.939 8.348 1.00 0.13 C ATOM 658 O ALA A 48 -8.910 6.756 9.392 1.00 0.17 O ATOM 659 CB ALA A 48 -6.343 8.250 9.301 1.00 0.18 C ATOM 0 H ALA A 48 -6.750 8.261 6.603 1.00 0.12 H new ATOM 0 HA ALA A 48 -6.342 6.210 8.702 1.00 0.13 H new ATOM 0 HB1 ALA A 48 -6.701 8.027 10.306 1.00 0.18 H new ATOM 0 HB2 ALA A 48 -5.255 8.318 9.310 1.00 0.18 H new ATOM 0 HB3 ALA A 48 -6.763 9.199 8.968 1.00 0.18 H new ATOM 665 N THR A 49 -8.846 6.964 7.148 1.00 0.12 N ATOM 666 CA THR A 49 -10.251 6.695 6.927 1.00 0.12 C ATOM 667 C THR A 49 -10.581 5.229 7.201 1.00 0.10 C ATOM 668 O THR A 49 -11.549 4.927 7.902 1.00 0.10 O ATOM 669 CB THR A 49 -10.604 7.031 5.468 1.00 0.14 C ATOM 670 OG1 THR A 49 -10.634 8.449 5.273 1.00 0.20 O ATOM 671 CG2 THR A 49 -11.918 6.410 5.063 1.00 0.13 C ATOM 0 H THR A 49 -8.330 7.175 6.294 1.00 0.12 H new ATOM 0 HA THR A 49 -10.834 7.312 7.611 1.00 0.12 H new ATOM 0 HB THR A 49 -9.827 6.608 4.830 1.00 0.14 H new ATOM 0 HG1 THR A 49 -10.143 8.889 5.998 1.00 0.20 H new ATOM 0 HG21 THR A 49 -12.138 6.667 4.027 1.00 0.13 H new ATOM 0 HG22 THR A 49 -11.854 5.326 5.163 1.00 0.13 H new ATOM 0 HG23 THR A 49 -12.713 6.787 5.707 1.00 0.13 H new ATOM 679 N ALA A 50 -9.729 4.363 6.636 1.00 0.09 N ATOM 680 CA ALA A 50 -9.833 2.897 6.671 1.00 0.08 C ATOM 681 C ALA A 50 -10.361 2.383 5.358 1.00 0.08 C ATOM 682 O ALA A 50 -11.293 2.929 4.793 1.00 0.09 O ATOM 683 CB ALA A 50 -10.677 2.361 7.818 1.00 0.09 C ATOM 0 H ALA A 50 -8.910 4.680 6.118 1.00 0.09 H new ATOM 0 HA ALA A 50 -8.822 2.529 6.843 1.00 0.08 H new ATOM 0 HB1 ALA A 50 -10.703 1.272 7.772 1.00 0.09 H new ATOM 0 HB2 ALA A 50 -10.242 2.674 8.767 1.00 0.09 H new ATOM 0 HB3 ALA A 50 -11.691 2.752 7.737 1.00 0.09 H new ATOM 689 N PHE A 51 -9.720 1.335 4.879 1.00 0.08 N ATOM 690 CA PHE A 51 -10.109 0.668 3.646 1.00 0.09 C ATOM 691 C PHE A 51 -11.564 0.280 3.661 1.00 0.10 C ATOM 692 O PHE A 51 -12.277 0.473 2.679 1.00 0.10 O ATOM 693 CB PHE A 51 -9.248 -0.559 3.449 1.00 0.11 C ATOM 694 CG PHE A 51 -7.843 -0.191 3.154 1.00 0.11 C ATOM 695 CD1 PHE A 51 -7.562 0.702 2.141 1.00 0.11 C ATOM 696 CD2 PHE A 51 -6.815 -0.712 3.895 1.00 0.12 C ATOM 697 CE1 PHE A 51 -6.268 1.072 1.873 1.00 0.12 C ATOM 698 CE2 PHE A 51 -5.518 -0.355 3.634 1.00 0.13 C ATOM 699 CZ PHE A 51 -5.242 0.543 2.619 1.00 0.13 C ATOM 0 H PHE A 51 -8.909 0.917 5.335 1.00 0.08 H new ATOM 0 HA PHE A 51 -9.962 1.363 2.819 1.00 0.09 H new ATOM 0 HB2 PHE A 51 -9.283 -1.178 4.346 1.00 0.11 H new ATOM 0 HB3 PHE A 51 -9.648 -1.159 2.632 1.00 0.11 H new ATOM 0 HD1 PHE A 51 -8.369 1.114 1.553 1.00 0.11 H new ATOM 0 HD2 PHE A 51 -7.029 -1.410 4.691 1.00 0.12 H new ATOM 0 HE1 PHE A 51 -6.057 1.775 1.081 1.00 0.12 H new ATOM 0 HE2 PHE A 51 -4.713 -0.774 4.220 1.00 0.13 H new ATOM 0 HZ PHE A 51 -4.221 0.828 2.413 1.00 0.13 H new ATOM 709 N LYS A 52 -11.998 -0.265 4.781 1.00 0.11 N ATOM 710 CA LYS A 52 -13.393 -0.590 4.975 1.00 0.13 C ATOM 711 C LYS A 52 -14.261 0.622 4.698 1.00 0.12 C ATOM 712 O LYS A 52 -15.287 0.543 4.023 1.00 0.15 O ATOM 713 CB LYS A 52 -13.629 -1.016 6.412 1.00 0.17 C ATOM 714 CG LYS A 52 -12.874 -2.267 6.807 1.00 0.53 C ATOM 715 CD LYS A 52 -13.322 -2.789 8.158 1.00 0.64 C ATOM 716 CE LYS A 52 -13.096 -1.777 9.261 1.00 0.59 C ATOM 717 NZ LYS A 52 -13.528 -2.292 10.585 1.00 1.22 N ATOM 0 H LYS A 52 -11.398 -0.492 5.574 1.00 0.11 H new ATOM 0 HA LYS A 52 -13.651 -1.398 4.290 1.00 0.13 H new ATOM 0 HB2 LYS A 52 -13.338 -0.202 7.076 1.00 0.17 H new ATOM 0 HB3 LYS A 52 -14.696 -1.183 6.562 1.00 0.17 H new ATOM 0 HG2 LYS A 52 -13.025 -3.037 6.051 1.00 0.53 H new ATOM 0 HG3 LYS A 52 -11.805 -2.054 6.835 1.00 0.53 H new ATOM 0 HD2 LYS A 52 -14.380 -3.047 8.114 1.00 0.64 H new ATOM 0 HD3 LYS A 52 -12.780 -3.706 8.390 1.00 0.64 H new ATOM 0 HE2 LYS A 52 -12.039 -1.515 9.301 1.00 0.59 H new ATOM 0 HE3 LYS A 52 -13.643 -0.862 9.032 1.00 0.59 H new ATOM 0 HZ1 LYS A 52 -13.356 -1.568 11.312 1.00 1.22 H new ATOM 0 HZ2 LYS A 52 -14.543 -2.519 10.555 1.00 1.22 H new ATOM 0 HZ3 LYS A 52 -12.988 -3.150 10.817 1.00 1.22 H new ATOM 731 N ASP A 53 -13.814 1.748 5.222 1.00 0.11 N ATOM 732 CA ASP A 53 -14.563 2.989 5.144 1.00 0.11 C ATOM 733 C ASP A 53 -14.391 3.623 3.762 1.00 0.10 C ATOM 734 O ASP A 53 -15.180 4.465 3.336 1.00 0.18 O ATOM 735 CB ASP A 53 -14.086 3.944 6.242 1.00 0.12 C ATOM 736 CG ASP A 53 -15.037 5.102 6.473 1.00 0.58 C ATOM 737 OD1 ASP A 53 -14.999 6.091 5.711 1.00 1.14 O ATOM 738 OD2 ASP A 53 -15.832 5.028 7.432 1.00 0.67 O ATOM 0 H ASP A 53 -12.923 1.829 5.713 1.00 0.11 H new ATOM 0 HA ASP A 53 -15.623 2.783 5.293 1.00 0.11 H new ATOM 0 HB2 ASP A 53 -13.966 3.389 7.172 1.00 0.12 H new ATOM 0 HB3 ASP A 53 -13.104 4.335 5.975 1.00 0.12 H new ATOM 743 N LEU A 54 -13.364 3.168 3.058 1.00 0.08 N ATOM 744 CA LEU A 54 -13.012 3.683 1.745 1.00 0.08 C ATOM 745 C LEU A 54 -13.827 3.001 0.665 1.00 0.08 C ATOM 746 O LEU A 54 -14.102 3.587 -0.381 1.00 0.10 O ATOM 747 CB LEU A 54 -11.519 3.461 1.491 1.00 0.08 C ATOM 748 CG LEU A 54 -10.600 4.519 2.097 1.00 0.09 C ATOM 749 CD1 LEU A 54 -9.174 4.014 2.166 1.00 0.10 C ATOM 750 CD2 LEU A 54 -10.661 5.791 1.283 1.00 0.12 C ATOM 0 H LEU A 54 -12.747 2.425 3.386 1.00 0.08 H new ATOM 0 HA LEU A 54 -13.232 4.750 1.717 1.00 0.08 H new ATOM 0 HB2 LEU A 54 -11.239 2.486 1.889 1.00 0.08 H new ATOM 0 HB3 LEU A 54 -11.349 3.427 0.415 1.00 0.08 H new ATOM 0 HG LEU A 54 -10.941 4.730 3.111 1.00 0.09 H new ATOM 0 HD11 LEU A 54 -8.536 4.784 2.601 1.00 0.10 H new ATOM 0 HD12 LEU A 54 -9.135 3.118 2.785 1.00 0.10 H new ATOM 0 HD13 LEU A 54 -8.823 3.777 1.162 1.00 0.10 H new ATOM 0 HD21 LEU A 54 -10.002 6.538 1.725 1.00 0.12 H new ATOM 0 HD22 LEU A 54 -10.342 5.585 0.261 1.00 0.12 H new ATOM 0 HD23 LEU A 54 -11.683 6.169 1.275 1.00 0.12 H new ATOM 762 N GLY A 55 -14.228 1.770 0.929 1.00 0.09 N ATOM 763 CA GLY A 55 -14.986 1.029 -0.048 1.00 0.10 C ATOM 764 C GLY A 55 -14.364 -0.311 -0.356 1.00 0.10 C ATOM 765 O GLY A 55 -14.897 -1.079 -1.157 1.00 0.15 O ATOM 0 H GLY A 55 -14.042 1.273 1.800 1.00 0.09 H new ATOM 0 HA2 GLY A 55 -16.001 0.880 0.319 1.00 0.10 H new ATOM 0 HA3 GLY A 55 -15.061 1.612 -0.966 1.00 0.10 H new ATOM 769 N ILE A 56 -13.237 -0.588 0.285 1.00 0.09 N ATOM 770 CA ILE A 56 -12.570 -1.872 0.143 1.00 0.09 C ATOM 771 C ILE A 56 -13.526 -2.999 0.539 1.00 0.14 C ATOM 772 O ILE A 56 -13.984 -3.071 1.680 1.00 0.32 O ATOM 773 CB ILE A 56 -11.274 -1.928 0.986 1.00 0.10 C ATOM 774 CG1 ILE A 56 -10.139 -1.121 0.347 1.00 0.11 C ATOM 775 CG2 ILE A 56 -10.842 -3.344 1.224 1.00 0.15 C ATOM 776 CD1 ILE A 56 -10.218 -0.992 -1.154 1.00 0.10 C ATOM 0 H ILE A 56 -12.765 0.064 0.911 1.00 0.09 H new ATOM 0 HA ILE A 56 -12.285 -2.000 -0.901 1.00 0.09 H new ATOM 0 HB ILE A 56 -11.503 -1.471 1.949 1.00 0.10 H new ATOM 0 HG12 ILE A 56 -10.133 -0.122 0.783 1.00 0.11 H new ATOM 0 HG13 ILE A 56 -9.189 -1.588 0.607 1.00 0.11 H new ATOM 0 HG21 ILE A 56 -9.929 -3.351 1.819 1.00 0.15 H new ATOM 0 HG22 ILE A 56 -11.627 -3.879 1.758 1.00 0.15 H new ATOM 0 HG23 ILE A 56 -10.656 -3.833 0.268 1.00 0.15 H new ATOM 0 HD11 ILE A 56 -9.373 -0.405 -1.514 1.00 0.10 H new ATOM 0 HD12 ILE A 56 -10.190 -1.983 -1.606 1.00 0.10 H new ATOM 0 HD13 ILE A 56 -11.148 -0.494 -1.428 1.00 0.10 H new ATOM 788 N ASP A 57 -13.829 -3.863 -0.423 1.00 0.19 N ATOM 789 CA ASP A 57 -14.891 -4.857 -0.270 1.00 0.28 C ATOM 790 C ASP A 57 -14.371 -6.279 -0.466 1.00 0.28 C ATOM 791 O ASP A 57 -15.069 -7.121 -1.027 1.00 0.67 O ATOM 792 CB ASP A 57 -16.013 -4.577 -1.282 1.00 0.52 C ATOM 793 CG ASP A 57 -15.587 -4.779 -2.733 1.00 1.48 C ATOM 794 OD1 ASP A 57 -14.372 -4.896 -3.003 1.00 2.34 O ATOM 795 OD2 ASP A 57 -16.473 -4.818 -3.614 1.00 1.95 O ATOM 0 H ASP A 57 -13.352 -3.897 -1.324 1.00 0.19 H new ATOM 0 HA ASP A 57 -15.275 -4.778 0.747 1.00 0.28 H new ATOM 0 HB2 ASP A 57 -16.858 -5.230 -1.065 1.00 0.52 H new ATOM 0 HB3 ASP A 57 -16.361 -3.552 -1.153 1.00 0.52 H new ATOM 800 N SER A 58 -13.152 -6.539 0.009 1.00 0.23 N ATOM 801 CA SER A 58 -12.473 -7.831 -0.182 1.00 0.26 C ATOM 802 C SER A 58 -11.966 -7.986 -1.618 1.00 0.19 C ATOM 803 O SER A 58 -10.815 -8.357 -1.842 1.00 0.17 O ATOM 804 CB SER A 58 -13.376 -9.001 0.183 1.00 0.36 C ATOM 805 OG SER A 58 -13.969 -8.809 1.458 1.00 1.25 O ATOM 0 H SER A 58 -12.603 -5.862 0.538 1.00 0.23 H new ATOM 0 HA SER A 58 -11.616 -7.840 0.492 1.00 0.26 H new ATOM 0 HB2 SER A 58 -14.155 -9.112 -0.571 1.00 0.36 H new ATOM 0 HB3 SER A 58 -12.798 -9.925 0.183 1.00 0.36 H new ATOM 0 HG SER A 58 -14.545 -9.573 1.669 1.00 1.25 H new ATOM 811 N LEU A 59 -12.822 -7.680 -2.584 1.00 0.22 N ATOM 812 CA LEU A 59 -12.452 -7.740 -3.993 1.00 0.20 C ATOM 813 C LEU A 59 -11.456 -6.650 -4.296 1.00 0.14 C ATOM 814 O LEU A 59 -10.395 -6.888 -4.874 1.00 0.14 O ATOM 815 CB LEU A 59 -13.661 -7.529 -4.894 1.00 0.23 C ATOM 816 CG LEU A 59 -14.720 -8.639 -4.906 1.00 0.30 C ATOM 817 CD1 LEU A 59 -15.296 -8.894 -3.527 1.00 1.12 C ATOM 818 CD2 LEU A 59 -15.823 -8.264 -5.875 1.00 1.18 C ATOM 0 H LEU A 59 -13.784 -7.386 -2.416 1.00 0.22 H new ATOM 0 HA LEU A 59 -12.029 -8.727 -4.183 1.00 0.20 H new ATOM 0 HB2 LEU A 59 -14.147 -6.600 -4.597 1.00 0.23 H new ATOM 0 HB3 LEU A 59 -13.304 -7.390 -5.914 1.00 0.23 H new ATOM 0 HG LEU A 59 -14.239 -9.563 -5.226 1.00 0.30 H new ATOM 0 HD11 LEU A 59 -16.041 -9.687 -3.585 1.00 1.12 H new ATOM 0 HD12 LEU A 59 -14.497 -9.195 -2.849 1.00 1.12 H new ATOM 0 HD13 LEU A 59 -15.764 -7.983 -3.154 1.00 1.12 H new ATOM 0 HD21 LEU A 59 -16.579 -9.049 -5.888 1.00 1.18 H new ATOM 0 HD22 LEU A 59 -16.280 -7.326 -5.561 1.00 1.18 H new ATOM 0 HD23 LEU A 59 -15.405 -8.147 -6.875 1.00 1.18 H new ATOM 830 N THR A 60 -11.798 -5.449 -3.869 1.00 0.12 N ATOM 831 CA THR A 60 -10.921 -4.317 -4.055 1.00 0.10 C ATOM 832 C THR A 60 -9.813 -4.350 -3.028 1.00 0.09 C ATOM 833 O THR A 60 -8.847 -3.612 -3.122 1.00 0.10 O ATOM 834 CB THR A 60 -11.662 -2.980 -3.984 1.00 0.12 C ATOM 835 OG1 THR A 60 -12.674 -3.024 -2.972 1.00 0.16 O ATOM 836 CG2 THR A 60 -12.266 -2.650 -5.336 1.00 0.16 C ATOM 0 H THR A 60 -12.675 -5.236 -3.393 1.00 0.12 H new ATOM 0 HA THR A 60 -10.501 -4.397 -5.058 1.00 0.10 H new ATOM 0 HB THR A 60 -10.953 -2.195 -3.720 1.00 0.12 H new ATOM 0 HG1 THR A 60 -13.447 -3.527 -3.304 1.00 0.16 H new ATOM 0 HG21 THR A 60 -12.792 -1.697 -5.277 1.00 0.16 H new ATOM 0 HG22 THR A 60 -11.474 -2.582 -6.082 1.00 0.16 H new ATOM 0 HG23 THR A 60 -12.967 -3.434 -5.622 1.00 0.16 H new ATOM 844 N ALA A 61 -9.966 -5.226 -2.048 1.00 0.09 N ATOM 845 CA ALA A 61 -8.901 -5.483 -1.102 1.00 0.09 C ATOM 846 C ALA A 61 -7.855 -6.362 -1.758 1.00 0.09 C ATOM 847 O ALA A 61 -6.660 -6.203 -1.528 1.00 0.12 O ATOM 848 CB ALA A 61 -9.433 -6.137 0.157 1.00 0.10 C ATOM 0 H ALA A 61 -10.816 -5.768 -1.890 1.00 0.09 H new ATOM 0 HA ALA A 61 -8.450 -4.534 -0.811 1.00 0.09 H new ATOM 0 HB1 ALA A 61 -8.610 -6.318 0.849 1.00 0.10 H new ATOM 0 HB2 ALA A 61 -10.164 -5.480 0.627 1.00 0.10 H new ATOM 0 HB3 ALA A 61 -9.908 -7.085 -0.098 1.00 0.10 H new ATOM 854 N LEU A 62 -8.318 -7.290 -2.588 1.00 0.10 N ATOM 855 CA LEU A 62 -7.430 -8.127 -3.357 1.00 0.11 C ATOM 856 C LEU A 62 -6.824 -7.314 -4.486 1.00 0.11 C ATOM 857 O LEU A 62 -5.646 -7.419 -4.757 1.00 0.13 O ATOM 858 CB LEU A 62 -8.186 -9.304 -3.951 1.00 0.14 C ATOM 859 CG LEU A 62 -7.376 -10.582 -4.204 1.00 0.20 C ATOM 860 CD1 LEU A 62 -5.877 -10.314 -4.179 1.00 0.53 C ATOM 861 CD2 LEU A 62 -7.757 -11.642 -3.190 1.00 0.52 C ATOM 0 H LEU A 62 -9.309 -7.475 -2.740 1.00 0.10 H new ATOM 0 HA LEU A 62 -6.647 -8.502 -2.697 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -9.012 -9.550 -3.284 1.00 0.14 H new ATOM 0 HB3 LEU A 62 -8.624 -8.985 -4.897 1.00 0.14 H new ATOM 0 HG LEU A 62 -7.617 -10.946 -5.203 1.00 0.20 H new ATOM 0 HD11 LEU A 62 -5.338 -11.244 -4.362 1.00 0.53 H new ATOM 0 HD12 LEU A 62 -5.624 -9.589 -4.953 1.00 0.53 H new ATOM 0 HD13 LEU A 62 -5.595 -9.917 -3.204 1.00 0.53 H new ATOM 0 HD21 LEU A 62 -7.178 -12.547 -3.375 1.00 0.52 H new ATOM 0 HD22 LEU A 62 -7.547 -11.276 -2.185 1.00 0.52 H new ATOM 0 HD23 LEU A 62 -8.820 -11.866 -3.280 1.00 0.52 H new ATOM 873 N GLU A 63 -7.632 -6.512 -5.160 1.00 0.10 N ATOM 874 CA GLU A 63 -7.146 -5.652 -6.208 1.00 0.11 C ATOM 875 C GLU A 63 -6.200 -4.609 -5.617 1.00 0.10 C ATOM 876 O GLU A 63 -5.212 -4.220 -6.246 1.00 0.12 O ATOM 877 CB GLU A 63 -8.365 -5.022 -6.876 1.00 0.14 C ATOM 878 CG GLU A 63 -8.104 -3.679 -7.486 1.00 0.41 C ATOM 879 CD GLU A 63 -7.313 -3.752 -8.777 1.00 0.59 C ATOM 880 OE1 GLU A 63 -6.170 -3.259 -8.821 1.00 0.72 O ATOM 881 OE2 GLU A 63 -7.839 -4.317 -9.761 1.00 0.83 O ATOM 0 H GLU A 63 -8.636 -6.444 -4.992 1.00 0.10 H new ATOM 0 HA GLU A 63 -6.575 -6.203 -6.956 1.00 0.11 H new ATOM 0 HB2 GLU A 63 -8.730 -5.696 -7.651 1.00 0.14 H new ATOM 0 HB3 GLU A 63 -9.161 -4.925 -6.137 1.00 0.14 H new ATOM 0 HG2 GLU A 63 -9.056 -3.184 -7.678 1.00 0.41 H new ATOM 0 HG3 GLU A 63 -7.562 -3.061 -6.770 1.00 0.41 H new ATOM 888 N LEU A 64 -6.489 -4.184 -4.388 1.00 0.09 N ATOM 889 CA LEU A 64 -5.554 -3.370 -3.632 1.00 0.09 C ATOM 890 C LEU A 64 -4.261 -4.141 -3.507 1.00 0.12 C ATOM 891 O LEU A 64 -3.180 -3.661 -3.836 1.00 0.17 O ATOM 892 CB LEU A 64 -6.087 -3.081 -2.222 1.00 0.12 C ATOM 893 CG LEU A 64 -6.110 -1.614 -1.810 1.00 0.17 C ATOM 894 CD1 LEU A 64 -6.525 -1.481 -0.350 1.00 0.43 C ATOM 895 CD2 LEU A 64 -4.746 -0.997 -2.037 1.00 0.44 C ATOM 0 H LEU A 64 -7.361 -4.392 -3.901 1.00 0.09 H new ATOM 0 HA LEU A 64 -5.409 -2.421 -4.149 1.00 0.09 H new ATOM 0 HB2 LEU A 64 -7.101 -3.475 -2.149 1.00 0.12 H new ATOM 0 HB3 LEU A 64 -5.479 -3.631 -1.504 1.00 0.12 H new ATOM 0 HG LEU A 64 -6.840 -1.083 -2.421 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -6.537 -0.428 -0.070 1.00 0.43 H new ATOM 0 HD12 LEU A 64 -7.520 -1.904 -0.215 1.00 0.43 H new ATOM 0 HD13 LEU A 64 -5.815 -2.016 0.280 1.00 0.43 H new ATOM 0 HD21 LEU A 64 -4.767 0.052 -1.741 1.00 0.44 H new ATOM 0 HD22 LEU A 64 -4.003 -1.527 -1.441 1.00 0.44 H new ATOM 0 HD23 LEU A 64 -4.484 -1.071 -3.093 1.00 0.44 H new ATOM 907 N ARG A 65 -4.436 -5.377 -3.088 1.00 0.12 N ATOM 908 CA ARG A 65 -3.340 -6.300 -2.814 1.00 0.15 C ATOM 909 C ARG A 65 -2.510 -6.507 -4.072 1.00 0.16 C ATOM 910 O ARG A 65 -1.281 -6.408 -4.055 1.00 0.19 O ATOM 911 CB ARG A 65 -3.916 -7.635 -2.290 1.00 0.18 C ATOM 912 CG ARG A 65 -2.871 -8.655 -1.841 1.00 0.33 C ATOM 913 CD ARG A 65 -2.247 -9.402 -3.012 1.00 0.43 C ATOM 914 NE ARG A 65 -1.167 -10.289 -2.587 1.00 0.78 N ATOM 915 CZ ARG A 65 -0.353 -10.922 -3.430 1.00 1.35 C ATOM 916 NH1 ARG A 65 -0.504 -10.769 -4.742 1.00 1.63 N ATOM 917 NH2 ARG A 65 0.607 -11.710 -2.960 1.00 1.72 N ATOM 0 H ARG A 65 -5.358 -5.781 -2.924 1.00 0.12 H new ATOM 0 HA ARG A 65 -2.685 -5.884 -2.049 1.00 0.15 H new ATOM 0 HB2 ARG A 65 -4.579 -7.423 -1.451 1.00 0.18 H new ATOM 0 HB3 ARG A 65 -4.526 -8.083 -3.074 1.00 0.18 H new ATOM 0 HG2 ARG A 65 -2.088 -8.145 -1.280 1.00 0.33 H new ATOM 0 HG3 ARG A 65 -3.335 -9.371 -1.162 1.00 0.33 H new ATOM 0 HD2 ARG A 65 -3.015 -9.985 -3.520 1.00 0.43 H new ATOM 0 HD3 ARG A 65 -1.862 -8.684 -3.735 1.00 0.43 H new ATOM 0 HE ARG A 65 -1.028 -10.432 -1.587 1.00 0.78 H new ATOM 0 HH11 ARG A 65 -1.244 -10.167 -5.103 1.00 1.63 H new ATOM 0 HH12 ARG A 65 0.120 -11.254 -5.387 1.00 1.63 H new ATOM 0 HH21 ARG A 65 0.721 -11.830 -1.954 1.00 1.72 H new ATOM 0 HH22 ARG A 65 1.230 -12.195 -3.605 1.00 1.72 H new ATOM 931 N ASN A 66 -3.215 -6.787 -5.149 1.00 0.14 N ATOM 932 CA ASN A 66 -2.636 -6.993 -6.462 1.00 0.16 C ATOM 933 C ASN A 66 -1.788 -5.803 -6.896 1.00 0.16 C ATOM 934 O ASN A 66 -0.750 -5.978 -7.531 1.00 0.21 O ATOM 935 CB ASN A 66 -3.760 -7.264 -7.465 1.00 0.20 C ATOM 936 CG ASN A 66 -4.311 -8.671 -7.343 1.00 0.32 C ATOM 937 OD1 ASN A 66 -3.601 -9.601 -6.958 1.00 0.83 O ATOM 938 ND2 ASN A 66 -5.583 -8.840 -7.666 1.00 0.34 N ATOM 0 H ASN A 66 -4.231 -6.880 -5.136 1.00 0.14 H new ATOM 0 HA ASN A 66 -1.969 -7.854 -6.422 1.00 0.16 H new ATOM 0 HB2 ASN A 66 -4.565 -6.546 -7.309 1.00 0.20 H new ATOM 0 HB3 ASN A 66 -3.386 -7.109 -8.477 1.00 0.20 H new ATOM 0 HD21 ASN A 66 -6.007 -9.765 -7.600 1.00 0.34 H new ATOM 0 HD22 ASN A 66 -6.139 -8.045 -7.981 1.00 0.34 H new ATOM 945 N THR A 67 -2.214 -4.596 -6.544 1.00 0.14 N ATOM 946 CA THR A 67 -1.436 -3.412 -6.868 1.00 0.15 C ATOM 947 C THR A 67 -0.270 -3.240 -5.898 1.00 0.16 C ATOM 948 O THR A 67 0.879 -3.106 -6.316 1.00 0.21 O ATOM 949 CB THR A 67 -2.306 -2.144 -6.850 1.00 0.17 C ATOM 950 OG1 THR A 67 -3.386 -2.269 -7.789 1.00 0.22 O ATOM 951 CG2 THR A 67 -1.475 -0.908 -7.180 1.00 0.19 C ATOM 0 H THR A 67 -3.082 -4.414 -6.041 1.00 0.14 H new ATOM 0 HA THR A 67 -1.045 -3.554 -7.876 1.00 0.15 H new ATOM 0 HB THR A 67 -2.714 -2.029 -5.846 1.00 0.17 H new ATOM 0 HG1 THR A 67 -4.061 -2.883 -7.431 1.00 0.22 H new ATOM 0 HG21 THR A 67 -2.113 -0.025 -7.161 1.00 0.19 H new ATOM 0 HG22 THR A 67 -0.680 -0.797 -6.443 1.00 0.19 H new ATOM 0 HG23 THR A 67 -1.038 -1.018 -8.172 1.00 0.19 H new ATOM 959 N LEU A 68 -0.571 -3.255 -4.605 1.00 0.17 N ATOM 960 CA LEU A 68 0.437 -3.056 -3.563 1.00 0.20 C ATOM 961 C LEU A 68 1.625 -3.968 -3.763 1.00 0.20 C ATOM 962 O LEU A 68 2.756 -3.513 -3.928 1.00 0.23 O ATOM 963 CB LEU A 68 -0.142 -3.377 -2.197 1.00 0.30 C ATOM 964 CG LEU A 68 -1.429 -2.669 -1.845 1.00 0.79 C ATOM 965 CD1 LEU A 68 -2.114 -3.423 -0.727 1.00 1.38 C ATOM 966 CD2 LEU A 68 -1.152 -1.232 -1.443 1.00 1.40 C ATOM 0 H LEU A 68 -1.515 -3.404 -4.247 1.00 0.17 H new ATOM 0 HA LEU A 68 0.748 -2.013 -3.624 1.00 0.20 H new ATOM 0 HB2 LEU A 68 -0.313 -4.452 -2.140 1.00 0.30 H new ATOM 0 HB3 LEU A 68 0.604 -3.132 -1.441 1.00 0.30 H new ATOM 0 HG LEU A 68 -2.085 -2.646 -2.715 1.00 0.79 H new ATOM 0 HD11 LEU A 68 -3.045 -2.920 -0.465 1.00 1.38 H new ATOM 0 HD12 LEU A 68 -2.331 -4.440 -1.054 1.00 1.38 H new ATOM 0 HD13 LEU A 68 -1.461 -3.454 0.145 1.00 1.38 H new ATOM 0 HD21 LEU A 68 -2.090 -0.737 -1.193 1.00 1.40 H new ATOM 0 HD22 LEU A 68 -0.492 -1.218 -0.576 1.00 1.40 H new ATOM 0 HD23 LEU A 68 -0.675 -0.708 -2.271 1.00 1.40 H new ATOM 978 N THR A 69 1.349 -5.261 -3.736 1.00 0.22 N ATOM 979 CA THR A 69 2.369 -6.277 -3.859 1.00 0.25 C ATOM 980 C THR A 69 3.171 -6.098 -5.145 1.00 0.25 C ATOM 981 O THR A 69 4.363 -6.374 -5.190 1.00 0.33 O ATOM 982 CB THR A 69 1.715 -7.680 -3.812 1.00 0.34 C ATOM 983 OG1 THR A 69 1.959 -8.294 -2.543 1.00 1.01 O ATOM 984 CG2 THR A 69 2.209 -8.582 -4.937 1.00 0.65 C ATOM 0 H THR A 69 0.405 -5.632 -3.627 1.00 0.22 H new ATOM 0 HA THR A 69 3.062 -6.179 -3.023 1.00 0.25 H new ATOM 0 HB THR A 69 0.642 -7.545 -3.951 1.00 0.34 H new ATOM 0 HG1 THR A 69 2.921 -8.443 -2.431 1.00 1.01 H new ATOM 0 HG21 THR A 69 1.723 -9.555 -4.863 1.00 0.65 H new ATOM 0 HG22 THR A 69 1.969 -8.129 -5.899 1.00 0.65 H new ATOM 0 HG23 THR A 69 3.288 -8.709 -4.855 1.00 0.65 H new ATOM 992 N HIS A 70 2.510 -5.606 -6.174 1.00 0.21 N ATOM 993 CA HIS A 70 3.137 -5.440 -7.469 1.00 0.22 C ATOM 994 C HIS A 70 4.076 -4.236 -7.467 1.00 0.21 C ATOM 995 O HIS A 70 5.110 -4.254 -8.119 1.00 0.28 O ATOM 996 CB HIS A 70 2.048 -5.281 -8.534 1.00 0.24 C ATOM 997 CG HIS A 70 2.546 -5.220 -9.945 1.00 0.30 C ATOM 998 ND1 HIS A 70 2.557 -6.310 -10.788 1.00 0.39 N ATOM 999 CD2 HIS A 70 3.015 -4.181 -10.671 1.00 0.34 C ATOM 1000 CE1 HIS A 70 3.009 -5.942 -11.971 1.00 0.45 C ATOM 1001 NE2 HIS A 70 3.293 -4.655 -11.928 1.00 0.41 N ATOM 0 H HIS A 70 1.534 -5.313 -6.137 1.00 0.21 H new ATOM 0 HA HIS A 70 3.737 -6.322 -7.696 1.00 0.22 H new ATOM 0 HB2 HIS A 70 1.351 -6.114 -8.446 1.00 0.24 H new ATOM 0 HB3 HIS A 70 1.485 -4.371 -8.324 1.00 0.24 H new ATOM 0 HD2 HIS A 70 3.146 -3.166 -10.326 1.00 0.34 H new ATOM 0 HE1 HIS A 70 3.127 -6.586 -12.830 1.00 0.45 H new ATOM 0 HE2 HIS A 70 3.660 -4.102 -12.703 1.00 0.41 H new ATOM 1010 N ASN A 71 3.700 -3.192 -6.743 1.00 0.19 N ATOM 1011 CA ASN A 71 4.518 -1.982 -6.665 1.00 0.22 C ATOM 1012 C ASN A 71 5.611 -2.088 -5.613 1.00 0.20 C ATOM 1013 O ASN A 71 6.603 -1.364 -5.676 1.00 0.25 O ATOM 1014 CB ASN A 71 3.655 -0.764 -6.381 1.00 0.32 C ATOM 1015 CG ASN A 71 2.810 -0.374 -7.574 1.00 0.61 C ATOM 1016 OD1 ASN A 71 3.226 0.411 -8.425 1.00 1.44 O ATOM 1017 ND2 ASN A 71 1.622 -0.932 -7.646 1.00 0.22 N ATOM 0 H ASN A 71 2.837 -3.154 -6.201 1.00 0.19 H new ATOM 0 HA ASN A 71 4.999 -1.870 -7.637 1.00 0.22 H new ATOM 0 HB2 ASN A 71 3.006 -0.971 -5.530 1.00 0.32 H new ATOM 0 HB3 ASN A 71 4.293 0.074 -6.100 1.00 0.32 H new ATOM 0 HD21 ASN A 71 1.005 -0.719 -8.430 1.00 0.22 H new ATOM 0 HD22 ASN A 71 1.317 -1.578 -6.918 1.00 0.22 H new ATOM 1024 N THR A 72 5.439 -2.983 -4.651 1.00 0.18 N ATOM 1025 CA THR A 72 6.373 -3.087 -3.552 1.00 0.19 C ATOM 1026 C THR A 72 7.138 -4.390 -3.594 1.00 0.23 C ATOM 1027 O THR A 72 8.122 -4.555 -2.882 1.00 0.25 O ATOM 1028 CB THR A 72 5.642 -2.967 -2.214 1.00 0.19 C ATOM 1029 OG1 THR A 72 4.678 -4.023 -2.098 1.00 0.21 O ATOM 1030 CG2 THR A 72 4.930 -1.625 -2.124 1.00 0.16 C ATOM 0 H THR A 72 4.662 -3.643 -4.614 1.00 0.18 H new ATOM 0 HA THR A 72 7.085 -2.267 -3.652 1.00 0.19 H new ATOM 0 HB THR A 72 6.370 -3.041 -1.406 1.00 0.19 H new ATOM 0 HG1 THR A 72 3.896 -3.815 -2.651 1.00 0.21 H new ATOM 0 HG21 THR A 72 4.413 -1.551 -1.167 1.00 0.16 H new ATOM 0 HG22 THR A 72 5.660 -0.820 -2.205 1.00 0.16 H new ATOM 0 HG23 THR A 72 4.206 -1.542 -2.935 1.00 0.16 H new ATOM 1038 N GLY A 73 6.667 -5.330 -4.397 1.00 0.27 N ATOM 1039 CA GLY A 73 7.431 -6.532 -4.630 1.00 0.35 C ATOM 1040 C GLY A 73 7.255 -7.557 -3.538 1.00 0.39 C ATOM 1041 O GLY A 73 7.921 -8.593 -3.530 1.00 0.46 O ATOM 0 H GLY A 73 5.774 -5.281 -4.888 1.00 0.27 H new ATOM 0 HA2 GLY A 73 7.132 -6.968 -5.583 1.00 0.35 H new ATOM 0 HA3 GLY A 73 8.487 -6.275 -4.714 1.00 0.35 H new ATOM 1045 N LEU A 74 6.366 -7.263 -2.613 1.00 0.39 N ATOM 1046 CA LEU A 74 6.179 -8.096 -1.451 1.00 0.45 C ATOM 1047 C LEU A 74 5.189 -9.216 -1.707 1.00 0.62 C ATOM 1048 O LEU A 74 4.458 -9.209 -2.695 1.00 1.10 O ATOM 1049 CB LEU A 74 5.715 -7.240 -0.284 1.00 0.46 C ATOM 1050 CG LEU A 74 6.424 -7.556 1.013 1.00 0.53 C ATOM 1051 CD1 LEU A 74 7.868 -7.097 0.911 1.00 1.12 C ATOM 1052 CD2 LEU A 74 5.720 -6.898 2.181 1.00 0.94 C ATOM 0 H LEU A 74 5.758 -6.445 -2.647 1.00 0.39 H new ATOM 0 HA LEU A 74 7.136 -8.561 -1.212 1.00 0.45 H new ATOM 0 HB2 LEU A 74 5.872 -6.190 -0.529 1.00 0.46 H new ATOM 0 HB3 LEU A 74 4.643 -7.378 -0.146 1.00 0.46 H new ATOM 0 HG LEU A 74 6.405 -8.632 1.188 1.00 0.53 H new ATOM 0 HD11 LEU A 74 8.388 -7.321 1.843 1.00 1.12 H new ATOM 0 HD12 LEU A 74 8.358 -7.617 0.088 1.00 1.12 H new ATOM 0 HD13 LEU A 74 7.896 -6.023 0.729 1.00 1.12 H new ATOM 0 HD21 LEU A 74 6.246 -7.138 3.105 1.00 0.94 H new ATOM 0 HD22 LEU A 74 5.711 -5.817 2.039 1.00 0.94 H new ATOM 0 HD23 LEU A 74 4.695 -7.264 2.241 1.00 0.94 H new ATOM 1064 N ASP A 75 5.169 -10.170 -0.796 1.00 0.54 N ATOM 1065 CA ASP A 75 4.335 -11.351 -0.941 1.00 0.72 C ATOM 1066 C ASP A 75 3.476 -11.556 0.300 1.00 0.78 C ATOM 1067 O ASP A 75 3.702 -12.462 1.103 1.00 0.98 O ATOM 1068 CB ASP A 75 5.216 -12.565 -1.184 1.00 1.04 C ATOM 1069 CG ASP A 75 4.421 -13.843 -1.383 1.00 1.31 C ATOM 1070 OD1 ASP A 75 4.581 -14.779 -0.570 1.00 1.45 O ATOM 1071 OD2 ASP A 75 3.625 -13.916 -2.344 1.00 1.55 O ATOM 0 H ASP A 75 5.725 -10.151 0.059 1.00 0.54 H new ATOM 0 HA ASP A 75 3.669 -11.215 -1.793 1.00 0.72 H new ATOM 0 HB2 ASP A 75 5.835 -12.388 -2.063 1.00 1.04 H new ATOM 0 HB3 ASP A 75 5.892 -12.692 -0.338 1.00 1.04 H new ATOM 1076 N LEU A 76 2.515 -10.673 0.468 1.00 0.91 N ATOM 1077 CA LEU A 76 1.578 -10.765 1.578 1.00 1.31 C ATOM 1078 C LEU A 76 0.204 -11.197 1.061 1.00 0.97 C ATOM 1079 O LEU A 76 -0.317 -10.618 0.103 1.00 0.95 O ATOM 1080 CB LEU A 76 1.493 -9.413 2.302 1.00 1.98 C ATOM 1081 CG LEU A 76 1.160 -9.461 3.806 1.00 2.77 C ATOM 1082 CD1 LEU A 76 -0.283 -9.872 4.051 1.00 3.54 C ATOM 1083 CD2 LEU A 76 2.108 -10.398 4.542 1.00 3.31 C ATOM 0 H LEU A 76 2.358 -9.878 -0.151 1.00 0.91 H new ATOM 0 HA LEU A 76 1.928 -11.513 2.290 1.00 1.31 H new ATOM 0 HB2 LEU A 76 2.446 -8.899 2.179 1.00 1.98 H new ATOM 0 HB3 LEU A 76 0.737 -8.806 1.804 1.00 1.98 H new ATOM 0 HG LEU A 76 1.290 -8.452 4.197 1.00 2.77 H new ATOM 0 HD11 LEU A 76 -0.478 -9.894 5.123 1.00 3.54 H new ATOM 0 HD12 LEU A 76 -0.951 -9.154 3.575 1.00 3.54 H new ATOM 0 HD13 LEU A 76 -0.456 -10.863 3.631 1.00 3.54 H new ATOM 0 HD21 LEU A 76 1.853 -10.415 5.602 1.00 3.31 H new ATOM 0 HD22 LEU A 76 2.018 -11.403 4.131 1.00 3.31 H new ATOM 0 HD23 LEU A 76 3.133 -10.047 4.421 1.00 3.31 H new ATOM 1095 N PRO A 77 -0.366 -12.256 1.666 1.00 1.11 N ATOM 1096 CA PRO A 77 -1.704 -12.767 1.328 1.00 1.07 C ATOM 1097 C PRO A 77 -2.805 -11.697 1.360 1.00 0.78 C ATOM 1098 O PRO A 77 -2.662 -10.647 1.986 1.00 0.84 O ATOM 1099 CB PRO A 77 -1.965 -13.808 2.422 1.00 1.63 C ATOM 1100 CG PRO A 77 -0.616 -14.275 2.825 1.00 1.97 C ATOM 1101 CD PRO A 77 0.282 -13.078 2.711 1.00 1.67 C ATOM 0 HA PRO A 77 -1.727 -13.153 0.309 1.00 1.07 H new ATOM 0 HB2 PRO A 77 -2.501 -13.371 3.265 1.00 1.63 H new ATOM 0 HB3 PRO A 77 -2.574 -14.631 2.049 1.00 1.63 H new ATOM 0 HG2 PRO A 77 -0.624 -14.662 3.844 1.00 1.97 H new ATOM 0 HG3 PRO A 77 -0.273 -15.084 2.180 1.00 1.97 H new ATOM 0 HD2 PRO A 77 0.355 -12.540 3.656 1.00 1.67 H new ATOM 0 HD3 PRO A 77 1.295 -13.362 2.427 1.00 1.67 H new ATOM 1109 N PRO A 78 -3.924 -11.989 0.659 1.00 0.60 N ATOM 1110 CA PRO A 78 -5.133 -11.127 0.562 1.00 0.50 C ATOM 1111 C PRO A 78 -5.680 -10.577 1.870 1.00 0.67 C ATOM 1112 O PRO A 78 -6.581 -9.737 1.856 1.00 1.62 O ATOM 1113 CB PRO A 78 -6.159 -12.091 -0.002 1.00 0.60 C ATOM 1114 CG PRO A 78 -5.374 -12.980 -0.888 1.00 0.76 C ATOM 1115 CD PRO A 78 -4.081 -13.213 -0.162 1.00 0.75 C ATOM 0 HA PRO A 78 -4.899 -10.234 -0.017 1.00 0.50 H new ATOM 0 HB2 PRO A 78 -6.654 -12.654 0.789 1.00 0.60 H new ATOM 0 HB3 PRO A 78 -6.938 -11.565 -0.554 1.00 0.60 H new ATOM 0 HG2 PRO A 78 -5.898 -13.918 -1.070 1.00 0.76 H new ATOM 0 HG3 PRO A 78 -5.203 -12.517 -1.860 1.00 0.76 H new ATOM 0 HD2 PRO A 78 -4.123 -14.109 0.457 1.00 0.75 H new ATOM 0 HD3 PRO A 78 -3.249 -13.342 -0.854 1.00 0.75 H new ATOM 1123 N THR A 79 -5.146 -11.008 2.987 1.00 0.55 N ATOM 1124 CA THR A 79 -5.657 -10.578 4.268 1.00 0.40 C ATOM 1125 C THR A 79 -4.871 -9.367 4.745 1.00 0.33 C ATOM 1126 O THR A 79 -4.846 -9.040 5.929 1.00 0.37 O ATOM 1127 CB THR A 79 -5.574 -11.713 5.296 1.00 0.45 C ATOM 1128 OG1 THR A 79 -4.241 -12.245 5.331 1.00 0.52 O ATOM 1129 CG2 THR A 79 -6.556 -12.812 4.931 1.00 0.53 C ATOM 0 H THR A 79 -4.359 -11.655 3.036 1.00 0.55 H new ATOM 0 HA THR A 79 -6.706 -10.304 4.158 1.00 0.40 H new ATOM 0 HB THR A 79 -5.827 -11.319 6.281 1.00 0.45 H new ATOM 0 HG1 THR A 79 -4.195 -12.968 5.991 1.00 0.52 H new ATOM 0 HG21 THR A 79 -6.492 -13.615 5.665 1.00 0.53 H new ATOM 0 HG22 THR A 79 -7.568 -12.408 4.923 1.00 0.53 H new ATOM 0 HG23 THR A 79 -6.314 -13.203 3.943 1.00 0.53 H new ATOM 1137 N LEU A 80 -4.241 -8.700 3.785 1.00 0.32 N ATOM 1138 CA LEU A 80 -3.412 -7.543 4.055 1.00 0.32 C ATOM 1139 C LEU A 80 -4.265 -6.376 4.520 1.00 0.22 C ATOM 1140 O LEU A 80 -3.868 -5.627 5.405 1.00 0.21 O ATOM 1141 CB LEU A 80 -2.616 -7.168 2.798 1.00 0.43 C ATOM 1142 CG LEU A 80 -1.636 -6.005 2.958 1.00 1.21 C ATOM 1143 CD1 LEU A 80 -0.736 -6.221 4.164 1.00 1.91 C ATOM 1144 CD2 LEU A 80 -0.800 -5.842 1.699 1.00 1.97 C ATOM 0 H LEU A 80 -4.294 -8.951 2.798 1.00 0.32 H new ATOM 0 HA LEU A 80 -2.710 -7.787 4.853 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -2.060 -8.045 2.467 1.00 0.43 H new ATOM 0 HB3 LEU A 80 -3.321 -6.919 2.004 1.00 0.43 H new ATOM 0 HG LEU A 80 -2.211 -5.093 3.118 1.00 1.21 H new ATOM 0 HD11 LEU A 80 -0.047 -5.382 4.259 1.00 1.91 H new ATOM 0 HD12 LEU A 80 -1.346 -6.293 5.065 1.00 1.91 H new ATOM 0 HD13 LEU A 80 -0.169 -7.143 4.035 1.00 1.91 H new ATOM 0 HD21 LEU A 80 -0.107 -5.010 1.827 1.00 1.97 H new ATOM 0 HD22 LEU A 80 -0.238 -6.758 1.514 1.00 1.97 H new ATOM 0 HD23 LEU A 80 -1.455 -5.641 0.851 1.00 1.97 H new ATOM 1156 N ILE A 81 -5.448 -6.237 3.935 1.00 0.18 N ATOM 1157 CA ILE A 81 -6.365 -5.172 4.343 1.00 0.13 C ATOM 1158 C ILE A 81 -6.999 -5.513 5.679 1.00 0.15 C ATOM 1159 O ILE A 81 -7.237 -4.648 6.519 1.00 0.16 O ATOM 1160 CB ILE A 81 -7.486 -4.939 3.310 1.00 0.12 C ATOM 1161 CG1 ILE A 81 -6.908 -4.745 1.929 1.00 0.13 C ATOM 1162 CG2 ILE A 81 -8.292 -3.712 3.659 1.00 0.13 C ATOM 1163 CD1 ILE A 81 -5.806 -3.731 1.900 1.00 0.13 C ATOM 0 H ILE A 81 -5.795 -6.837 3.187 1.00 0.18 H new ATOM 0 HA ILE A 81 -5.775 -4.259 4.421 1.00 0.13 H new ATOM 0 HB ILE A 81 -8.128 -5.820 3.325 1.00 0.12 H new ATOM 0 HG12 ILE A 81 -6.528 -5.698 1.561 1.00 0.13 H new ATOM 0 HG13 ILE A 81 -7.701 -4.434 1.248 1.00 0.13 H new ATOM 0 HG21 ILE A 81 -9.076 -3.568 2.916 1.00 0.13 H new ATOM 0 HG22 ILE A 81 -8.743 -3.841 4.643 1.00 0.13 H new ATOM 0 HG23 ILE A 81 -7.639 -2.839 3.671 1.00 0.13 H new ATOM 0 HD11 ILE A 81 -5.428 -3.633 0.882 1.00 0.13 H new ATOM 0 HD12 ILE A 81 -6.188 -2.768 2.240 1.00 0.13 H new ATOM 0 HD13 ILE A 81 -4.998 -4.053 2.557 1.00 0.13 H new ATOM 1175 N PHE A 82 -7.281 -6.786 5.853 1.00 0.20 N ATOM 1176 CA PHE A 82 -7.861 -7.294 7.077 1.00 0.25 C ATOM 1177 C PHE A 82 -6.885 -7.148 8.243 1.00 0.25 C ATOM 1178 O PHE A 82 -7.290 -6.997 9.396 1.00 0.30 O ATOM 1179 CB PHE A 82 -8.246 -8.757 6.866 1.00 0.32 C ATOM 1180 CG PHE A 82 -9.298 -8.957 5.806 1.00 0.36 C ATOM 1181 CD1 PHE A 82 -10.604 -9.304 6.139 1.00 0.46 C ATOM 1182 CD2 PHE A 82 -8.976 -8.793 4.470 1.00 0.34 C ATOM 1183 CE1 PHE A 82 -11.558 -9.483 5.157 1.00 0.52 C ATOM 1184 CE2 PHE A 82 -9.929 -8.971 3.486 1.00 0.40 C ATOM 1185 CZ PHE A 82 -11.257 -9.337 3.869 1.00 0.49 C ATOM 0 H PHE A 82 -7.113 -7.501 5.145 1.00 0.20 H new ATOM 0 HA PHE A 82 -8.751 -6.717 7.327 1.00 0.25 H new ATOM 0 HB2 PHE A 82 -7.355 -9.323 6.593 1.00 0.32 H new ATOM 0 HB3 PHE A 82 -8.609 -9.168 7.808 1.00 0.32 H new ATOM 0 HD1 PHE A 82 -10.874 -9.435 7.176 1.00 0.46 H new ATOM 0 HD2 PHE A 82 -7.968 -8.523 4.193 1.00 0.34 H new ATOM 0 HE1 PHE A 82 -12.567 -9.746 5.439 1.00 0.52 H new ATOM 0 HE2 PHE A 82 -9.675 -8.836 2.445 1.00 0.40 H new ATOM 0 HZ PHE A 82 -12.014 -9.495 3.115 1.00 0.49 H new ATOM 1195 N ASP A 83 -5.596 -7.189 7.931 1.00 0.23 N ATOM 1196 CA ASP A 83 -4.549 -7.053 8.941 1.00 0.25 C ATOM 1197 C ASP A 83 -4.108 -5.595 9.077 1.00 0.24 C ATOM 1198 O ASP A 83 -3.713 -5.149 10.154 1.00 0.38 O ATOM 1199 CB ASP A 83 -3.353 -7.928 8.567 1.00 0.29 C ATOM 1200 CG ASP A 83 -2.343 -8.051 9.687 1.00 0.34 C ATOM 1201 OD1 ASP A 83 -2.600 -8.814 10.640 1.00 0.48 O ATOM 1202 OD2 ASP A 83 -1.276 -7.412 9.608 1.00 0.47 O ATOM 0 H ASP A 83 -5.247 -7.316 6.981 1.00 0.23 H new ATOM 0 HA ASP A 83 -4.950 -7.379 9.901 1.00 0.25 H new ATOM 0 HB2 ASP A 83 -3.707 -8.922 8.293 1.00 0.29 H new ATOM 0 HB3 ASP A 83 -2.864 -7.510 7.687 1.00 0.29 H new ATOM 1207 N HIS A 84 -4.183 -4.860 7.975 1.00 0.14 N ATOM 1208 CA HIS A 84 -3.813 -3.446 7.941 1.00 0.12 C ATOM 1209 C HIS A 84 -4.939 -2.653 7.292 1.00 0.11 C ATOM 1210 O HIS A 84 -5.003 -2.542 6.071 1.00 0.14 O ATOM 1211 CB HIS A 84 -2.517 -3.247 7.153 1.00 0.14 C ATOM 1212 CG HIS A 84 -1.306 -3.833 7.813 1.00 0.19 C ATOM 1213 ND1 HIS A 84 -0.459 -3.118 8.632 1.00 0.22 N ATOM 1214 CD2 HIS A 84 -0.805 -5.087 7.770 1.00 0.25 C ATOM 1215 CE1 HIS A 84 0.507 -3.909 9.060 1.00 0.27 C ATOM 1216 NE2 HIS A 84 0.323 -5.112 8.552 1.00 0.29 N ATOM 0 H HIS A 84 -4.502 -5.225 7.078 1.00 0.14 H new ATOM 0 HA HIS A 84 -3.652 -3.095 8.960 1.00 0.12 H new ATOM 0 HB2 HIS A 84 -2.632 -3.694 6.166 1.00 0.14 H new ATOM 0 HB3 HIS A 84 -2.355 -2.180 7.003 1.00 0.14 H new ATOM 0 HD2 HIS A 84 -1.218 -5.920 7.220 1.00 0.25 H new ATOM 0 HE1 HIS A 84 1.314 -3.619 9.717 1.00 0.27 H new ATOM 0 HE2 HIS A 84 0.919 -5.924 8.713 1.00 0.29 H new ATOM 1225 N PRO A 85 -5.843 -2.093 8.099 1.00 0.10 N ATOM 1226 CA PRO A 85 -7.113 -1.575 7.608 1.00 0.09 C ATOM 1227 C PRO A 85 -7.101 -0.121 7.134 1.00 0.08 C ATOM 1228 O PRO A 85 -8.157 0.413 6.807 1.00 0.09 O ATOM 1229 CB PRO A 85 -8.006 -1.721 8.834 1.00 0.12 C ATOM 1230 CG PRO A 85 -7.094 -1.476 9.991 1.00 0.14 C ATOM 1231 CD PRO A 85 -5.722 -1.943 9.562 1.00 0.13 C ATOM 0 HA PRO A 85 -7.429 -2.112 6.714 1.00 0.09 H new ATOM 0 HB2 PRO A 85 -8.826 -1.003 8.816 1.00 0.12 H new ATOM 0 HB3 PRO A 85 -8.453 -2.714 8.884 1.00 0.12 H new ATOM 0 HG2 PRO A 85 -7.079 -0.419 10.256 1.00 0.14 H new ATOM 0 HG3 PRO A 85 -7.431 -2.021 10.873 1.00 0.14 H new ATOM 0 HD2 PRO A 85 -4.952 -1.219 9.828 1.00 0.13 H new ATOM 0 HD3 PRO A 85 -5.452 -2.885 10.040 1.00 0.13 H new ATOM 1239 N THR A 86 -5.950 0.535 7.081 1.00 0.07 N ATOM 1240 CA THR A 86 -5.909 1.901 6.573 1.00 0.07 C ATOM 1241 C THR A 86 -4.773 2.074 5.568 1.00 0.07 C ATOM 1242 O THR A 86 -3.817 1.299 5.594 1.00 0.07 O ATOM 1243 CB THR A 86 -5.739 2.935 7.703 1.00 0.08 C ATOM 1244 OG1 THR A 86 -4.494 2.730 8.383 1.00 0.09 O ATOM 1245 CG2 THR A 86 -6.878 2.860 8.707 1.00 0.09 C ATOM 0 H THR A 86 -5.050 0.155 7.376 1.00 0.07 H new ATOM 0 HA THR A 86 -6.866 2.078 6.083 1.00 0.07 H new ATOM 0 HB THR A 86 -5.749 3.923 7.243 1.00 0.08 H new ATOM 0 HG1 THR A 86 -4.398 3.394 9.097 1.00 0.09 H new ATOM 0 HG21 THR A 86 -6.723 3.604 9.489 1.00 0.09 H new ATOM 0 HG22 THR A 86 -7.823 3.057 8.201 1.00 0.09 H new ATOM 0 HG23 THR A 86 -6.905 1.866 9.153 1.00 0.09 H new ATOM 1253 N PRO A 87 -4.857 3.057 4.642 1.00 0.08 N ATOM 1254 CA PRO A 87 -3.756 3.339 3.712 1.00 0.09 C ATOM 1255 C PRO A 87 -2.452 3.602 4.452 1.00 0.09 C ATOM 1256 O PRO A 87 -1.372 3.255 3.975 1.00 0.11 O ATOM 1257 CB PRO A 87 -4.219 4.575 2.942 1.00 0.09 C ATOM 1258 CG PRO A 87 -5.704 4.563 3.066 1.00 0.09 C ATOM 1259 CD PRO A 87 -6.017 3.932 4.399 1.00 0.08 C ATOM 0 HA PRO A 87 -3.546 2.495 3.054 1.00 0.09 H new ATOM 0 HB2 PRO A 87 -3.794 5.486 3.363 1.00 0.09 H new ATOM 0 HB3 PRO A 87 -3.908 4.531 1.898 1.00 0.09 H new ATOM 0 HG2 PRO A 87 -6.106 5.575 3.012 1.00 0.09 H new ATOM 0 HG3 PRO A 87 -6.157 3.996 2.253 1.00 0.09 H new ATOM 0 HD2 PRO A 87 -6.126 4.682 5.183 1.00 0.08 H new ATOM 0 HD3 PRO A 87 -6.948 3.366 4.367 1.00 0.08 H new ATOM 1267 N HIS A 88 -2.571 4.191 5.636 1.00 0.09 N ATOM 1268 CA HIS A 88 -1.435 4.376 6.525 1.00 0.09 C ATOM 1269 C HIS A 88 -0.921 3.017 6.976 1.00 0.08 C ATOM 1270 O HIS A 88 0.266 2.741 6.879 1.00 0.09 O ATOM 1271 CB HIS A 88 -1.860 5.224 7.729 1.00 0.12 C ATOM 1272 CG HIS A 88 -0.738 5.620 8.636 1.00 0.19 C ATOM 1273 ND1 HIS A 88 0.213 6.561 8.303 1.00 0.28 N ATOM 1274 CD2 HIS A 88 -0.429 5.199 9.880 1.00 0.23 C ATOM 1275 CE1 HIS A 88 1.061 6.698 9.305 1.00 0.33 C ATOM 1276 NE2 HIS A 88 0.693 5.884 10.276 1.00 0.30 N ATOM 0 H HIS A 88 -3.452 4.551 6.003 1.00 0.09 H new ATOM 0 HA HIS A 88 -0.633 4.896 6.001 1.00 0.09 H new ATOM 0 HB2 HIS A 88 -2.353 6.126 7.366 1.00 0.12 H new ATOM 0 HB3 HIS A 88 -2.598 4.668 8.307 1.00 0.12 H new ATOM 0 HD1 HIS A 88 0.255 7.071 7.421 1.00 0.28 H new ATOM 0 HD2 HIS A 88 -0.965 4.460 10.457 1.00 0.23 H new ATOM 0 HE1 HIS A 88 1.912 7.363 9.326 1.00 0.33 H new ATOM 1285 N ALA A 89 -1.834 2.175 7.452 1.00 0.09 N ATOM 1286 CA ALA A 89 -1.506 0.818 7.889 1.00 0.10 C ATOM 1287 C ALA A 89 -0.804 0.013 6.802 1.00 0.09 C ATOM 1288 O ALA A 89 0.264 -0.550 7.035 1.00 0.10 O ATOM 1289 CB ALA A 89 -2.764 0.097 8.319 1.00 0.12 C ATOM 0 H ALA A 89 -2.822 2.412 7.546 1.00 0.09 H new ATOM 0 HA ALA A 89 -0.818 0.907 8.730 1.00 0.10 H new ATOM 0 HB1 ALA A 89 -2.512 -0.913 8.643 1.00 0.12 H new ATOM 0 HB2 ALA A 89 -3.229 0.637 9.144 1.00 0.12 H new ATOM 0 HB3 ALA A 89 -3.459 0.046 7.481 1.00 0.12 H new ATOM 1295 N LEU A 90 -1.430 -0.082 5.633 1.00 0.10 N ATOM 1296 CA LEU A 90 -0.840 -0.788 4.499 1.00 0.11 C ATOM 1297 C LEU A 90 0.534 -0.245 4.183 1.00 0.11 C ATOM 1298 O LEU A 90 1.473 -1.002 3.924 1.00 0.12 O ATOM 1299 CB LEU A 90 -1.720 -0.641 3.267 1.00 0.13 C ATOM 1300 CG LEU A 90 -2.229 -1.942 2.666 1.00 0.25 C ATOM 1301 CD1 LEU A 90 -2.849 -2.819 3.731 1.00 0.73 C ATOM 1302 CD2 LEU A 90 -3.239 -1.645 1.582 1.00 0.68 C ATOM 0 H LEU A 90 -2.348 0.322 5.445 1.00 0.10 H new ATOM 0 HA LEU A 90 -0.758 -1.840 4.771 1.00 0.11 H new ATOM 0 HB2 LEU A 90 -2.578 -0.021 3.527 1.00 0.13 H new ATOM 0 HB3 LEU A 90 -1.158 -0.104 2.503 1.00 0.13 H new ATOM 0 HG LEU A 90 -1.385 -2.478 2.232 1.00 0.25 H new ATOM 0 HD11 LEU A 90 -3.206 -3.744 3.278 1.00 0.73 H new ATOM 0 HD12 LEU A 90 -2.103 -3.051 4.491 1.00 0.73 H new ATOM 0 HD13 LEU A 90 -3.686 -2.294 4.193 1.00 0.73 H new ATOM 0 HD21 LEU A 90 -3.600 -2.581 1.155 1.00 0.68 H new ATOM 0 HD22 LEU A 90 -4.077 -1.093 2.007 1.00 0.68 H new ATOM 0 HD23 LEU A 90 -2.769 -1.047 0.801 1.00 0.68 H new ATOM 1314 N THR A 91 0.638 1.070 4.201 1.00 0.11 N ATOM 1315 CA THR A 91 1.895 1.727 3.963 1.00 0.12 C ATOM 1316 C THR A 91 2.919 1.302 5.005 1.00 0.12 C ATOM 1317 O THR A 91 4.028 0.893 4.666 1.00 0.13 O ATOM 1318 CB THR A 91 1.726 3.260 3.989 1.00 0.12 C ATOM 1319 OG1 THR A 91 1.040 3.700 2.815 1.00 0.13 O ATOM 1320 CG2 THR A 91 3.066 3.969 4.120 1.00 0.13 C ATOM 0 H THR A 91 -0.142 1.702 4.380 1.00 0.11 H new ATOM 0 HA THR A 91 2.249 1.433 2.975 1.00 0.12 H new ATOM 0 HB THR A 91 1.131 3.516 4.866 1.00 0.12 H new ATOM 0 HG1 THR A 91 0.073 3.656 2.965 1.00 0.13 H new ATOM 0 HG21 THR A 91 2.907 5.047 4.135 1.00 0.13 H new ATOM 0 HG22 THR A 91 3.552 3.661 5.046 1.00 0.13 H new ATOM 0 HG23 THR A 91 3.700 3.707 3.273 1.00 0.13 H new ATOM 1328 N GLN A 92 2.520 1.391 6.272 1.00 0.11 N ATOM 1329 CA GLN A 92 3.347 0.954 7.384 1.00 0.12 C ATOM 1330 C GLN A 92 3.884 -0.448 7.137 1.00 0.13 C ATOM 1331 O GLN A 92 5.066 -0.720 7.346 1.00 0.16 O ATOM 1332 CB GLN A 92 2.531 0.977 8.677 1.00 0.12 C ATOM 1333 CG GLN A 92 2.143 2.369 9.143 1.00 0.16 C ATOM 1334 CD GLN A 92 1.695 2.378 10.591 1.00 0.47 C ATOM 1335 OE1 GLN A 92 1.084 1.423 11.069 1.00 1.42 O ATOM 1336 NE2 GLN A 92 2.034 3.431 11.313 1.00 1.06 N ATOM 0 H GLN A 92 1.615 1.768 6.552 1.00 0.11 H new ATOM 0 HA GLN A 92 4.192 1.636 7.476 1.00 0.12 H new ATOM 0 HB2 GLN A 92 1.625 0.389 8.532 1.00 0.12 H new ATOM 0 HB3 GLN A 92 3.105 0.489 9.465 1.00 0.12 H new ATOM 0 HG2 GLN A 92 2.992 3.042 9.022 1.00 0.16 H new ATOM 0 HG3 GLN A 92 1.340 2.752 8.513 1.00 0.16 H new ATOM 0 HE21 GLN A 92 2.541 4.204 10.881 1.00 1.06 H new ATOM 0 HE22 GLN A 92 1.789 3.471 12.302 1.00 1.06 H new ATOM 1345 N HIS A 93 3.005 -1.323 6.664 1.00 0.14 N ATOM 1346 CA HIS A 93 3.373 -2.693 6.345 1.00 0.17 C ATOM 1347 C HIS A 93 4.548 -2.739 5.369 1.00 0.19 C ATOM 1348 O HIS A 93 5.593 -3.291 5.686 1.00 0.21 O ATOM 1349 CB HIS A 93 2.162 -3.437 5.765 1.00 0.20 C ATOM 1350 CG HIS A 93 2.471 -4.805 5.236 1.00 0.27 C ATOM 1351 ND1 HIS A 93 2.685 -5.898 6.044 1.00 0.31 N ATOM 1352 CD2 HIS A 93 2.587 -5.253 3.963 1.00 0.36 C ATOM 1353 CE1 HIS A 93 2.921 -6.957 5.298 1.00 0.38 C ATOM 1354 NE2 HIS A 93 2.867 -6.595 4.030 1.00 0.41 N ATOM 0 H HIS A 93 2.024 -1.103 6.492 1.00 0.14 H new ATOM 0 HA HIS A 93 3.688 -3.186 7.265 1.00 0.17 H new ATOM 0 HB2 HIS A 93 1.399 -3.524 6.539 1.00 0.20 H new ATOM 0 HB3 HIS A 93 1.734 -2.838 4.961 1.00 0.20 H new ATOM 0 HD1 HIS A 93 2.664 -5.889 7.064 1.00 0.31 H new ATOM 0 HD2 HIS A 93 2.479 -4.665 3.064 1.00 0.36 H new ATOM 0 HE1 HIS A 93 3.124 -7.953 5.662 1.00 0.38 H new ATOM 1363 N LEU A 94 4.392 -2.130 4.202 1.00 0.18 N ATOM 1364 CA LEU A 94 5.398 -2.234 3.150 1.00 0.21 C ATOM 1365 C LEU A 94 6.606 -1.351 3.452 1.00 0.22 C ATOM 1366 O LEU A 94 7.693 -1.570 2.929 1.00 0.31 O ATOM 1367 CB LEU A 94 4.762 -1.847 1.817 1.00 0.19 C ATOM 1368 CG LEU A 94 3.527 -2.674 1.443 1.00 0.21 C ATOM 1369 CD1 LEU A 94 2.714 -1.994 0.365 1.00 0.21 C ATOM 1370 CD2 LEU A 94 3.931 -4.066 0.979 1.00 0.27 C ATOM 0 H LEU A 94 3.582 -1.560 3.958 1.00 0.18 H new ATOM 0 HA LEU A 94 5.756 -3.262 3.098 1.00 0.21 H new ATOM 0 HB2 LEU A 94 4.482 -0.794 1.854 1.00 0.19 H new ATOM 0 HB3 LEU A 94 5.507 -1.952 1.028 1.00 0.19 H new ATOM 0 HG LEU A 94 2.910 -2.760 2.338 1.00 0.21 H new ATOM 0 HD11 LEU A 94 1.846 -2.607 0.123 1.00 0.21 H new ATOM 0 HD12 LEU A 94 2.382 -1.018 0.720 1.00 0.21 H new ATOM 0 HD13 LEU A 94 3.327 -1.866 -0.527 1.00 0.21 H new ATOM 0 HD21 LEU A 94 3.039 -4.636 0.719 1.00 0.27 H new ATOM 0 HD22 LEU A 94 4.578 -3.985 0.105 1.00 0.27 H new ATOM 0 HD23 LEU A 94 4.466 -4.576 1.780 1.00 0.27 H new ATOM 1382 N HIS A 95 6.414 -0.376 4.325 1.00 0.18 N ATOM 1383 CA HIS A 95 7.488 0.528 4.730 1.00 0.20 C ATOM 1384 C HIS A 95 8.384 -0.168 5.738 1.00 0.26 C ATOM 1385 O HIS A 95 9.588 0.083 5.811 1.00 0.39 O ATOM 1386 CB HIS A 95 6.900 1.799 5.356 1.00 0.20 C ATOM 1387 CG HIS A 95 7.919 2.832 5.719 1.00 0.25 C ATOM 1388 ND1 HIS A 95 8.473 2.925 6.973 1.00 0.37 N ATOM 1389 CD2 HIS A 95 8.476 3.827 4.989 1.00 0.26 C ATOM 1390 CE1 HIS A 95 9.322 3.927 7.002 1.00 0.43 C ATOM 1391 NE2 HIS A 95 9.346 4.497 5.812 1.00 0.36 N ATOM 0 H HIS A 95 5.517 -0.186 4.773 1.00 0.18 H new ATOM 0 HA HIS A 95 8.072 0.803 3.851 1.00 0.20 H new ATOM 0 HB2 HIS A 95 6.187 2.238 4.658 1.00 0.20 H new ATOM 0 HB3 HIS A 95 6.342 1.525 6.251 1.00 0.20 H new ATOM 0 HD2 HIS A 95 8.273 4.052 3.952 1.00 0.26 H new ATOM 0 HE1 HIS A 95 9.904 4.234 7.858 1.00 0.43 H new ATOM 0 HE2 HIS A 95 9.916 5.301 5.548 1.00 0.36 H new ATOM 1400 N THR A 96 7.780 -1.058 6.497 1.00 0.22 N ATOM 1401 CA THR A 96 8.472 -1.806 7.514 1.00 0.27 C ATOM 1402 C THR A 96 9.051 -3.081 6.906 1.00 0.32 C ATOM 1403 O THR A 96 10.189 -3.463 7.185 1.00 0.40 O ATOM 1404 CB THR A 96 7.492 -2.127 8.667 1.00 0.35 C ATOM 1405 OG1 THR A 96 7.652 -1.182 9.730 1.00 0.62 O ATOM 1406 CG2 THR A 96 7.667 -3.541 9.185 1.00 0.31 C ATOM 0 H THR A 96 6.788 -1.281 6.421 1.00 0.22 H new ATOM 0 HA THR A 96 9.297 -1.219 7.917 1.00 0.27 H new ATOM 0 HB THR A 96 6.480 -2.051 8.269 1.00 0.35 H new ATOM 0 HG1 THR A 96 7.026 -1.394 10.453 1.00 0.62 H new ATOM 0 HG21 THR A 96 6.959 -3.723 9.993 1.00 0.31 H new ATOM 0 HG22 THR A 96 7.485 -4.250 8.377 1.00 0.31 H new ATOM 0 HG23 THR A 96 8.683 -3.669 9.557 1.00 0.31 H new ATOM 1414 N ARG A 97 8.266 -3.710 6.039 1.00 0.34 N ATOM 1415 CA ARG A 97 8.667 -4.947 5.389 1.00 0.45 C ATOM 1416 C ARG A 97 9.849 -4.733 4.458 1.00 0.57 C ATOM 1417 O ARG A 97 10.529 -5.682 4.089 1.00 0.67 O ATOM 1418 CB ARG A 97 7.493 -5.537 4.622 1.00 0.58 C ATOM 1419 CG ARG A 97 6.426 -6.117 5.514 1.00 1.52 C ATOM 1420 CD ARG A 97 6.898 -7.373 6.207 1.00 2.27 C ATOM 1421 NE ARG A 97 7.253 -8.428 5.257 1.00 3.09 N ATOM 1422 CZ ARG A 97 7.301 -9.724 5.570 1.00 3.77 C ATOM 1423 NH1 ARG A 97 6.992 -10.127 6.797 1.00 3.78 N ATOM 1424 NH2 ARG A 97 7.664 -10.616 4.654 1.00 4.68 N ATOM 0 H ARG A 97 7.340 -3.378 5.770 1.00 0.34 H new ATOM 0 HA ARG A 97 8.979 -5.646 6.164 1.00 0.45 H new ATOM 0 HB2 ARG A 97 7.051 -4.762 3.996 1.00 0.58 H new ATOM 0 HB3 ARG A 97 7.860 -6.316 3.953 1.00 0.58 H new ATOM 0 HG2 ARG A 97 6.134 -5.378 6.260 1.00 1.52 H new ATOM 0 HG3 ARG A 97 5.538 -6.340 4.922 1.00 1.52 H new ATOM 0 HD2 ARG A 97 7.763 -7.140 6.829 1.00 2.27 H new ATOM 0 HD3 ARG A 97 6.115 -7.735 6.873 1.00 2.27 H new ATOM 0 HE ARG A 97 7.477 -8.157 4.300 1.00 3.09 H new ATOM 0 HH11 ARG A 97 6.717 -9.445 7.504 1.00 3.78 H new ATOM 0 HH12 ARG A 97 7.030 -11.119 7.033 1.00 3.78 H new ATOM 0 HH21 ARG A 97 7.906 -10.310 3.712 1.00 4.68 H new ATOM 0 HH22 ARG A 97 7.701 -11.607 4.893 1.00 4.68 H new ATOM 1438 N LEU A 98 10.071 -3.484 4.073 1.00 0.62 N ATOM 1439 CA LEU A 98 11.251 -3.111 3.293 1.00 0.78 C ATOM 1440 C LEU A 98 12.519 -3.705 3.894 1.00 0.92 C ATOM 1441 O LEU A 98 13.390 -4.196 3.177 1.00 1.19 O ATOM 1442 CB LEU A 98 11.374 -1.592 3.224 1.00 0.78 C ATOM 1443 CG LEU A 98 10.839 -0.934 1.947 1.00 0.68 C ATOM 1444 CD1 LEU A 98 11.967 -0.216 1.236 1.00 1.14 C ATOM 1445 CD2 LEU A 98 10.208 -1.952 1.007 1.00 1.00 C ATOM 0 H LEU A 98 9.448 -2.706 4.288 1.00 0.62 H new ATOM 0 HA LEU A 98 11.130 -3.511 2.286 1.00 0.78 H new ATOM 0 HB2 LEU A 98 10.847 -1.165 4.078 1.00 0.78 H new ATOM 0 HB3 LEU A 98 12.426 -1.327 3.333 1.00 0.78 H new ATOM 0 HG LEU A 98 10.065 -0.223 2.236 1.00 0.68 H new ATOM 0 HD11 LEU A 98 11.586 0.252 0.328 1.00 1.14 H new ATOM 0 HD12 LEU A 98 12.382 0.550 1.892 1.00 1.14 H new ATOM 0 HD13 LEU A 98 12.747 -0.932 0.976 1.00 1.14 H new ATOM 0 HD21 LEU A 98 9.842 -1.445 0.114 1.00 1.00 H new ATOM 0 HD22 LEU A 98 10.953 -2.695 0.722 1.00 1.00 H new ATOM 0 HD23 LEU A 98 9.377 -2.446 1.511 1.00 1.00 H new ATOM 1457 N THR A 99 12.604 -3.668 5.209 1.00 0.85 N ATOM 1458 CA THR A 99 13.726 -4.254 5.911 1.00 1.08 C ATOM 1459 C THR A 99 13.319 -5.581 6.554 1.00 1.13 C ATOM 1460 O THR A 99 14.089 -6.542 6.569 1.00 1.66 O ATOM 1461 CB THR A 99 14.286 -3.275 6.970 1.00 1.19 C ATOM 1462 OG1 THR A 99 15.188 -3.948 7.857 1.00 1.61 O ATOM 1463 CG2 THR A 99 13.164 -2.617 7.762 1.00 1.07 C ATOM 0 H THR A 99 11.906 -3.236 5.814 1.00 0.85 H new ATOM 0 HA THR A 99 14.518 -4.452 5.189 1.00 1.08 H new ATOM 0 HB THR A 99 14.832 -2.494 6.441 1.00 1.19 H new ATOM 0 HG1 THR A 99 15.532 -3.312 8.518 1.00 1.61 H new ATOM 0 HG21 THR A 99 13.590 -1.935 8.498 1.00 1.07 H new ATOM 0 HG22 THR A 99 12.517 -2.061 7.083 1.00 1.07 H new ATOM 0 HG23 THR A 99 12.581 -3.384 8.272 1.00 1.07 H new ATOM 1471 N GLN A 100 12.096 -5.633 7.069 1.00 0.75 N ATOM 1472 CA GLN A 100 11.577 -6.847 7.693 1.00 0.85 C ATOM 1473 C GLN A 100 11.086 -7.851 6.653 1.00 1.01 C ATOM 1474 O GLN A 100 9.938 -8.288 6.694 1.00 1.19 O ATOM 1475 CB GLN A 100 10.436 -6.504 8.644 1.00 0.77 C ATOM 1476 CG GLN A 100 10.787 -5.452 9.679 1.00 0.81 C ATOM 1477 CD GLN A 100 11.823 -5.918 10.687 1.00 1.52 C ATOM 1478 OE1 GLN A 100 12.701 -6.728 10.382 1.00 2.10 O ATOM 1479 NE2 GLN A 100 11.722 -5.412 11.902 1.00 2.19 N ATOM 0 H GLN A 100 11.444 -4.849 7.067 1.00 0.75 H new ATOM 0 HA GLN A 100 12.396 -7.304 8.248 1.00 0.85 H new ATOM 0 HB2 GLN A 100 9.584 -6.154 8.061 1.00 0.77 H new ATOM 0 HB3 GLN A 100 10.120 -7.412 9.157 1.00 0.77 H new ATOM 0 HG2 GLN A 100 11.160 -4.563 9.170 1.00 0.81 H new ATOM 0 HG3 GLN A 100 9.881 -5.159 10.210 1.00 0.81 H new ATOM 0 HE21 GLN A 100 10.982 -4.744 12.116 1.00 2.19 H new ATOM 0 HE22 GLN A 100 12.384 -5.689 12.627 1.00 2.19 H new ATOM 1488 N SER A 101 11.953 -8.222 5.729 1.00 1.26 N ATOM 1489 CA SER A 101 11.602 -9.194 4.711 1.00 1.48 C ATOM 1490 C SER A 101 12.848 -9.932 4.250 1.00 1.84 C ATOM 1491 O SER A 101 13.931 -9.741 4.803 1.00 2.05 O ATOM 1492 CB SER A 101 10.906 -8.513 3.533 1.00 1.64 C ATOM 1493 OG SER A 101 10.373 -9.455 2.618 1.00 2.32 O ATOM 0 H SER A 101 12.906 -7.864 5.663 1.00 1.26 H new ATOM 0 HA SER A 101 10.907 -9.917 5.138 1.00 1.48 H new ATOM 0 HB2 SER A 101 10.105 -7.874 3.905 1.00 1.64 H new ATOM 0 HB3 SER A 101 11.615 -7.866 3.017 1.00 1.64 H new ATOM 0 HG SER A 101 9.935 -8.982 1.880 1.00 2.32 H new ATOM 1499 N HIS A 102 12.690 -10.766 3.243 1.00 2.10 N ATOM 1500 CA HIS A 102 13.784 -11.582 2.750 1.00 2.55 C ATOM 1501 C HIS A 102 14.248 -11.083 1.393 1.00 2.90 C ATOM 1502 O HIS A 102 13.593 -11.411 0.382 1.00 3.23 O ATOM 1503 CB HIS A 102 13.369 -13.050 2.671 1.00 2.94 C ATOM 1504 CG HIS A 102 13.098 -13.667 4.009 1.00 3.11 C ATOM 1505 ND1 HIS A 102 13.955 -14.555 4.617 1.00 3.76 N ATOM 1506 CD2 HIS A 102 12.060 -13.506 4.867 1.00 3.06 C ATOM 1507 CE1 HIS A 102 13.460 -14.913 5.787 1.00 4.18 C ATOM 1508 NE2 HIS A 102 12.312 -14.290 5.960 1.00 3.79 N ATOM 1509 OXT HIS A 102 15.258 -10.353 1.344 1.00 3.31 O ATOM 0 H HIS A 102 11.809 -10.898 2.746 1.00 2.10 H new ATOM 0 HA HIS A 102 14.616 -11.501 3.450 1.00 2.55 H new ATOM 0 HB2 HIS A 102 12.475 -13.134 2.053 1.00 2.94 H new ATOM 0 HB3 HIS A 102 14.156 -13.615 2.172 1.00 2.94 H new ATOM 0 HD2 HIS A 102 11.196 -12.876 4.716 1.00 3.06 H new ATOM 0 HE1 HIS A 102 13.918 -15.600 6.484 1.00 4.18 H new ATOM 0 HE2 HIS A 102 11.708 -14.378 6.777 1.00 3.79 H new TER 1518 HIS A 102