USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 702 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 ASN :FLIP amide:sc= -1.26 F(o=-4.6,f=-2.6) USER MOD Set 1.2: A 89 SER OG : rot 180:sc= -1.32 USER MOD Set 2.1: A 33 ASN : amide:sc= 0 K(o=-0.43,f=-1.2) USER MOD Set 2.2: A 67 ASN :FLIP amide:sc= -0.429 F(o=-1.2!,f=-0.43) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 TYR OH : rot 180:sc= -2.59! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.201) USER MOD Single : A 39 THR OG1 : rot -123:sc= 0.212 USER MOD Single : A 43 THR OG1 : rot -60:sc= -2.19 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 33:sc= 0.312 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc=-0.00121 X(o=-0.0012,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0601) USER MOD Single : A 71 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.00534) USER MOD Single : A 74 HIS : no HD1:sc= -2.07! C(o=-2.1!,f=-1.7!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 150:sc= -0.912 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -1.17! C(o=-1.2!,f=-4.1!) USER MOD Single : A 96 HIS : no HD1:sc=-0.000413 X(o=-0.00041,f=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 70:sc= 0.745 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 132:sc= 0.00165 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 17 1.305 -9.576 -14.477 1.00 0.00 N ATOM 2 CA LEU A 17 2.208 -8.713 -13.676 1.00 0.00 C ATOM 3 C LEU A 17 3.631 -9.255 -13.739 1.00 0.00 C ATOM 4 O LEU A 17 4.218 -9.621 -12.739 1.00 0.00 O ATOM 5 CB LEU A 17 1.735 -8.688 -12.198 1.00 0.00 C ATOM 6 CG LEU A 17 2.062 -7.324 -11.558 1.00 0.00 C ATOM 7 CD1 LEU A 17 1.232 -7.157 -10.291 1.00 0.00 C ATOM 8 CD2 LEU A 17 3.551 -7.272 -11.195 1.00 0.00 C ATOM 0 HA LEU A 17 2.186 -7.702 -14.083 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.662 -8.873 -12.149 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.222 -9.487 -11.639 1.00 0.00 H new ATOM 0 HG LEU A 17 1.831 -6.525 -12.262 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.458 -6.194 -9.832 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.172 -7.200 -10.542 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.472 -7.957 -9.591 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.782 -6.308 -10.743 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.781 -8.069 -10.488 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.150 -7.403 -12.096 1.00 0.00 H new ATOM 22 N GLN A 18 4.165 -9.292 -14.918 1.00 0.00 N ATOM 23 CA GLN A 18 5.543 -9.803 -15.065 1.00 0.00 C ATOM 24 C GLN A 18 6.514 -8.814 -14.478 1.00 0.00 C ATOM 25 O GLN A 18 7.495 -9.180 -13.863 1.00 0.00 O ATOM 26 CB GLN A 18 5.848 -9.983 -16.561 1.00 0.00 C ATOM 27 CG GLN A 18 4.961 -11.094 -17.117 1.00 0.00 C ATOM 28 CD GLN A 18 5.809 -12.345 -17.362 1.00 0.00 C ATOM 29 OE1 GLN A 18 6.115 -12.692 -18.486 1.00 0.00 O ATOM 30 NE2 GLN A 18 6.208 -13.051 -16.339 1.00 0.00 N ATOM 0 H GLN A 18 3.710 -8.993 -15.781 1.00 0.00 H new ATOM 0 HA GLN A 18 5.639 -10.756 -14.545 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.666 -9.052 -17.097 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.899 -10.233 -16.704 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.157 -11.318 -16.416 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.493 -10.770 -18.047 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.955 -12.766 -15.393 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.773 -13.888 -16.486 1.00 0.00 H new ATOM 39 N ASP A 19 6.216 -7.572 -14.673 1.00 0.00 N ATOM 40 CA ASP A 19 7.095 -6.526 -14.140 1.00 0.00 C ATOM 41 C ASP A 19 6.307 -5.274 -13.804 1.00 0.00 C ATOM 42 O ASP A 19 6.750 -4.444 -13.036 1.00 0.00 O ATOM 43 CB ASP A 19 8.126 -6.193 -15.202 1.00 0.00 C ATOM 44 CG ASP A 19 9.523 -6.536 -14.679 1.00 0.00 C ATOM 45 OD1 ASP A 19 10.041 -5.717 -13.938 1.00 0.00 O ATOM 46 OD2 ASP A 19 9.993 -7.600 -15.047 1.00 0.00 O ATOM 0 H ASP A 19 5.397 -7.239 -15.181 1.00 0.00 H new ATOM 0 HA ASP A 19 7.571 -6.885 -13.228 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.919 -6.753 -16.114 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.071 -5.135 -15.459 1.00 0.00 H new ATOM 51 N ALA A 20 5.153 -5.159 -14.387 1.00 0.00 N ATOM 52 CA ALA A 20 4.312 -3.960 -14.113 1.00 0.00 C ATOM 53 C ALA A 20 5.123 -2.666 -14.255 1.00 0.00 C ATOM 54 O ALA A 20 6.261 -2.693 -14.682 1.00 0.00 O ATOM 55 CB ALA A 20 3.803 -4.062 -12.665 1.00 0.00 C ATOM 0 H ALA A 20 4.754 -5.836 -15.038 1.00 0.00 H new ATOM 0 HA ALA A 20 3.491 -3.931 -14.829 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.183 -3.196 -12.435 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.213 -4.971 -12.550 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.652 -4.092 -11.982 1.00 0.00 H new ATOM 61 N GLU A 21 4.507 -1.551 -13.893 1.00 0.00 N ATOM 62 CA GLU A 21 5.211 -0.238 -13.994 1.00 0.00 C ATOM 63 C GLU A 21 5.203 0.488 -12.642 1.00 0.00 C ATOM 64 O GLU A 21 6.244 0.831 -12.118 1.00 0.00 O ATOM 65 CB GLU A 21 4.488 0.636 -15.046 1.00 0.00 C ATOM 66 CG GLU A 21 3.017 0.816 -14.657 1.00 0.00 C ATOM 67 CD GLU A 21 2.183 1.048 -15.920 1.00 0.00 C ATOM 68 OE1 GLU A 21 2.770 1.522 -16.878 1.00 0.00 O ATOM 69 OE2 GLU A 21 1.004 0.737 -15.854 1.00 0.00 O ATOM 0 H GLU A 21 3.553 -1.504 -13.535 1.00 0.00 H new ATOM 0 HA GLU A 21 6.246 -0.412 -14.288 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.975 1.608 -15.119 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.558 0.169 -16.029 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.658 -0.067 -14.128 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.910 1.661 -13.977 1.00 0.00 H new ATOM 76 N TRP A 22 4.029 0.708 -12.099 1.00 0.00 N ATOM 77 CA TRP A 22 3.959 1.409 -10.787 1.00 0.00 C ATOM 78 C TRP A 22 4.843 0.709 -9.760 1.00 0.00 C ATOM 79 O TRP A 22 5.316 1.313 -8.819 1.00 0.00 O ATOM 80 CB TRP A 22 2.512 1.390 -10.287 1.00 0.00 C ATOM 81 CG TRP A 22 1.599 0.859 -11.398 1.00 0.00 C ATOM 82 CD1 TRP A 22 0.997 1.629 -12.280 1.00 0.00 C ATOM 83 CD2 TRP A 22 1.335 -0.409 -11.616 1.00 0.00 C ATOM 84 NE1 TRP A 22 0.337 0.759 -13.068 1.00 0.00 N ATOM 85 CE2 TRP A 22 0.503 -0.563 -12.709 1.00 0.00 C ATOM 86 CE3 TRP A 22 1.766 -1.520 -10.926 1.00 0.00 C ATOM 87 CZ2 TRP A 22 0.111 -1.825 -13.103 1.00 0.00 C ATOM 88 CZ3 TRP A 22 1.371 -2.774 -11.318 1.00 0.00 C ATOM 89 CH2 TRP A 22 0.549 -2.928 -12.403 1.00 0.00 C ATOM 0 H TRP A 22 3.133 0.436 -12.503 1.00 0.00 H new ATOM 0 HA TRP A 22 4.306 2.434 -10.916 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.430 0.761 -9.401 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.203 2.394 -9.995 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.026 2.706 -12.354 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -0.235 1.051 -13.860 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.418 -1.404 -10.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.537 -1.948 -13.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 1.709 -3.641 -10.770 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.243 -3.917 -12.711 1.00 0.00 H new ATOM 100 N TYR A 23 5.039 -0.559 -9.970 1.00 0.00 N ATOM 101 CA TYR A 23 5.886 -1.353 -9.037 1.00 0.00 C ATOM 102 C TYR A 23 7.337 -1.329 -9.518 1.00 0.00 C ATOM 103 O TYR A 23 7.604 -1.560 -10.679 1.00 0.00 O ATOM 104 CB TYR A 23 5.376 -2.807 -9.069 1.00 0.00 C ATOM 105 CG TYR A 23 4.143 -2.988 -8.145 1.00 0.00 C ATOM 106 CD1 TYR A 23 3.333 -1.913 -7.768 1.00 0.00 C ATOM 107 CD2 TYR A 23 3.807 -4.250 -7.703 1.00 0.00 C ATOM 108 CE1 TYR A 23 2.227 -2.117 -6.974 1.00 0.00 C ATOM 109 CE2 TYR A 23 2.696 -4.446 -6.910 1.00 0.00 C ATOM 110 CZ TYR A 23 1.899 -3.388 -6.541 1.00 0.00 C ATOM 111 OH TYR A 23 0.790 -3.598 -5.749 1.00 0.00 O ATOM 0 H TYR A 23 4.648 -1.085 -10.752 1.00 0.00 H new ATOM 0 HA TYR A 23 5.834 -0.940 -8.030 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.112 -3.080 -10.091 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.172 -3.482 -8.754 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.577 -0.915 -8.102 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.421 -5.094 -7.981 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.611 -1.278 -6.687 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.449 -5.442 -6.575 1.00 0.00 H new ATOM 0 HH TYR A 23 0.713 -4.552 -5.541 1.00 0.00 H new ATOM 121 N TRP A 24 8.253 -1.050 -8.626 1.00 0.00 N ATOM 122 CA TRP A 24 9.680 -1.015 -9.049 1.00 0.00 C ATOM 123 C TRP A 24 10.308 -2.385 -8.910 1.00 0.00 C ATOM 124 O TRP A 24 11.154 -2.774 -9.689 1.00 0.00 O ATOM 125 CB TRP A 24 10.464 -0.054 -8.133 1.00 0.00 C ATOM 126 CG TRP A 24 9.931 1.390 -8.230 1.00 0.00 C ATOM 127 CD1 TRP A 24 8.777 1.757 -8.785 1.00 0.00 C ATOM 128 CD2 TRP A 24 10.552 2.425 -7.726 1.00 0.00 C ATOM 129 NE1 TRP A 24 8.737 3.084 -8.576 1.00 0.00 N ATOM 130 CE2 TRP A 24 9.831 3.585 -7.909 1.00 0.00 C ATOM 131 CE3 TRP A 24 11.773 2.468 -7.085 1.00 0.00 C ATOM 132 CZ2 TRP A 24 10.325 4.783 -7.454 1.00 0.00 C ATOM 133 CZ3 TRP A 24 12.269 3.672 -6.629 1.00 0.00 C ATOM 134 CH2 TRP A 24 11.545 4.830 -6.813 1.00 0.00 C ATOM 0 H TRP A 24 8.077 -0.849 -7.642 1.00 0.00 H new ATOM 0 HA TRP A 24 9.718 -0.688 -10.088 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.396 -0.398 -7.101 1.00 0.00 H new ATOM 0 HB3 TRP A 24 11.519 -0.071 -8.406 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.048 1.136 -9.284 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.962 3.670 -8.886 1.00 0.00 H new ATOM 0 HE3 TRP A 24 12.340 1.560 -6.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 9.757 5.690 -7.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 13.225 3.707 -6.128 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.932 5.773 -6.456 1.00 0.00 H new ATOM 145 N GLY A 25 9.876 -3.089 -7.914 1.00 0.00 N ATOM 146 CA GLY A 25 10.420 -4.451 -7.672 1.00 0.00 C ATOM 147 C GLY A 25 10.613 -4.660 -6.178 1.00 0.00 C ATOM 148 O GLY A 25 11.638 -5.144 -5.734 1.00 0.00 O ATOM 0 H GLY A 25 9.165 -2.782 -7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.739 -5.203 -8.070 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.370 -4.573 -8.193 1.00 0.00 H new ATOM 152 N ASP A 26 9.620 -4.288 -5.436 1.00 0.00 N ATOM 153 CA ASP A 26 9.694 -4.439 -3.980 1.00 0.00 C ATOM 154 C ASP A 26 10.968 -3.797 -3.430 1.00 0.00 C ATOM 155 O ASP A 26 12.040 -4.363 -3.521 1.00 0.00 O ATOM 156 CB ASP A 26 9.697 -5.935 -3.665 1.00 0.00 C ATOM 157 CG ASP A 26 9.041 -6.694 -4.821 1.00 0.00 C ATOM 158 OD1 ASP A 26 7.838 -6.546 -4.952 1.00 0.00 O ATOM 159 OD2 ASP A 26 9.782 -7.379 -5.508 1.00 0.00 O ATOM 0 H ASP A 26 8.753 -3.882 -5.786 1.00 0.00 H new ATOM 0 HA ASP A 26 8.841 -3.944 -3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.718 -6.286 -3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.157 -6.125 -2.737 1.00 0.00 H new ATOM 164 N ILE A 27 10.817 -2.610 -2.869 1.00 0.00 N ATOM 165 CA ILE A 27 12.000 -1.899 -2.301 1.00 0.00 C ATOM 166 C ILE A 27 11.817 -1.649 -0.797 1.00 0.00 C ATOM 167 O ILE A 27 11.490 -2.551 -0.053 1.00 0.00 O ATOM 168 CB ILE A 27 12.171 -0.544 -3.026 1.00 0.00 C ATOM 169 CG1 ILE A 27 10.878 0.333 -2.911 1.00 0.00 C ATOM 170 CG2 ILE A 27 12.513 -0.817 -4.515 1.00 0.00 C ATOM 171 CD1 ILE A 27 9.900 0.085 -4.068 1.00 0.00 C ATOM 0 H ILE A 27 9.930 -2.114 -2.785 1.00 0.00 H new ATOM 0 HA ILE A 27 12.884 -2.520 -2.444 1.00 0.00 H new ATOM 0 HB ILE A 27 12.980 0.013 -2.554 1.00 0.00 H new ATOM 0 HG12 ILE A 27 10.380 0.119 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.157 1.387 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.637 0.130 -5.040 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.439 -1.389 -4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.704 -1.384 -4.976 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.020 0.716 -3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 27 10.387 0.325 -5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 27 9.598 -0.962 -4.071 1.00 0.00 H new ATOM 183 N SER A 28 12.032 -0.425 -0.380 1.00 0.00 N ATOM 184 CA SER A 28 11.877 -0.102 1.055 1.00 0.00 C ATOM 185 C SER A 28 11.427 1.343 1.233 1.00 0.00 C ATOM 186 O SER A 28 11.085 2.011 0.278 1.00 0.00 O ATOM 187 CB SER A 28 13.239 -0.285 1.741 1.00 0.00 C ATOM 188 OG SER A 28 14.149 0.399 0.892 1.00 0.00 O ATOM 0 H SER A 28 12.307 0.356 -0.976 1.00 0.00 H new ATOM 0 HA SER A 28 11.127 -0.760 1.493 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.239 0.136 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 28 13.499 -1.339 1.837 1.00 0.00 H new ATOM 0 HG SER A 28 15.054 0.333 1.262 1.00 0.00 H new ATOM 194 N ARG A 29 11.436 1.802 2.452 1.00 0.00 N ATOM 195 CA ARG A 29 11.013 3.198 2.707 1.00 0.00 C ATOM 196 C ARG A 29 12.077 4.160 2.241 1.00 0.00 C ATOM 197 O ARG A 29 11.809 5.311 1.980 1.00 0.00 O ATOM 198 CB ARG A 29 10.807 3.378 4.219 1.00 0.00 C ATOM 199 CG ARG A 29 11.917 2.635 4.968 1.00 0.00 C ATOM 200 CD ARG A 29 11.407 1.257 5.397 1.00 0.00 C ATOM 201 NE ARG A 29 10.638 1.400 6.664 1.00 0.00 N ATOM 202 CZ ARG A 29 11.180 1.019 7.788 1.00 0.00 C ATOM 203 NH1 ARG A 29 11.292 -0.257 8.034 1.00 0.00 N ATOM 204 NH2 ARG A 29 11.592 1.929 8.628 1.00 0.00 N ATOM 0 H ARG A 29 11.717 1.271 3.276 1.00 0.00 H new ATOM 0 HA ARG A 29 10.089 3.400 2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.823 4.437 4.477 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.831 2.992 4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 29 12.793 2.528 4.329 1.00 0.00 H new ATOM 0 HG3 ARG A 29 12.228 3.208 5.842 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.775 0.830 4.619 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.244 0.573 5.539 1.00 0.00 H new ATOM 0 HE ARG A 29 9.696 1.792 6.653 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.958 -0.939 7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.713 -0.573 8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.488 2.918 8.400 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.018 1.651 9.512 1.00 0.00 H new ATOM 218 N GLU A 30 13.271 3.673 2.142 1.00 0.00 N ATOM 219 CA GLU A 30 14.364 4.549 1.694 1.00 0.00 C ATOM 220 C GLU A 30 14.143 4.975 0.255 1.00 0.00 C ATOM 221 O GLU A 30 14.163 6.142 -0.048 1.00 0.00 O ATOM 222 CB GLU A 30 15.683 3.772 1.785 1.00 0.00 C ATOM 223 CG GLU A 30 15.798 3.154 3.175 1.00 0.00 C ATOM 224 CD GLU A 30 17.241 2.703 3.411 1.00 0.00 C ATOM 225 OE1 GLU A 30 17.627 1.754 2.749 1.00 0.00 O ATOM 226 OE2 GLU A 30 17.876 3.333 4.241 1.00 0.00 O ATOM 0 H GLU A 30 13.534 2.710 2.351 1.00 0.00 H new ATOM 0 HA GLU A 30 14.395 5.437 2.326 1.00 0.00 H new ATOM 0 HB2 GLU A 30 15.715 2.994 1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.526 4.437 1.597 1.00 0.00 H new ATOM 0 HG2 GLU A 30 15.503 3.879 3.933 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.120 2.305 3.265 1.00 0.00 H new ATOM 233 N GLU A 31 13.921 4.018 -0.606 1.00 0.00 N ATOM 234 CA GLU A 31 13.696 4.365 -2.028 1.00 0.00 C ATOM 235 C GLU A 31 12.313 4.982 -2.210 1.00 0.00 C ATOM 236 O GLU A 31 12.183 6.077 -2.729 1.00 0.00 O ATOM 237 CB GLU A 31 13.788 3.077 -2.855 1.00 0.00 C ATOM 238 CG GLU A 31 15.242 2.603 -2.901 1.00 0.00 C ATOM 239 CD GLU A 31 15.762 2.696 -4.339 1.00 0.00 C ATOM 240 OE1 GLU A 31 15.581 3.756 -4.912 1.00 0.00 O ATOM 241 OE2 GLU A 31 16.312 1.699 -4.780 1.00 0.00 O ATOM 0 H GLU A 31 13.887 3.023 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 31 14.445 5.087 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.156 2.305 -2.416 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.420 3.254 -3.866 1.00 0.00 H new ATOM 0 HG2 GLU A 31 15.856 3.214 -2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 31 15.313 1.576 -2.543 1.00 0.00 H new ATOM 248 N VAL A 32 11.300 4.266 -1.780 1.00 0.00 N ATOM 249 CA VAL A 32 9.915 4.802 -1.919 1.00 0.00 C ATOM 250 C VAL A 32 9.892 6.270 -1.512 1.00 0.00 C ATOM 251 O VAL A 32 9.674 7.146 -2.322 1.00 0.00 O ATOM 252 CB VAL A 32 8.988 4.016 -0.963 1.00 0.00 C ATOM 253 CG1 VAL A 32 7.709 4.841 -0.709 1.00 0.00 C ATOM 254 CG2 VAL A 32 8.624 2.650 -1.592 1.00 0.00 C ATOM 0 H VAL A 32 11.374 3.346 -1.345 1.00 0.00 H new ATOM 0 HA VAL A 32 9.583 4.701 -2.952 1.00 0.00 H new ATOM 0 HB VAL A 32 9.499 3.840 -0.017 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.050 4.293 -0.035 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.976 5.796 -0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.196 5.017 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.971 2.100 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.111 2.811 -2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.534 2.075 -1.765 1.00 0.00 H new ATOM 264 N ASN A 33 10.127 6.501 -0.250 1.00 0.00 N ATOM 265 CA ASN A 33 10.130 7.897 0.266 1.00 0.00 C ATOM 266 C ASN A 33 11.042 8.813 -0.557 1.00 0.00 C ATOM 267 O ASN A 33 10.594 9.789 -1.129 1.00 0.00 O ATOM 268 CB ASN A 33 10.665 7.862 1.706 1.00 0.00 C ATOM 269 CG ASN A 33 10.276 9.154 2.425 1.00 0.00 C ATOM 270 OD1 ASN A 33 9.225 9.249 3.030 1.00 0.00 O ATOM 271 ND2 ASN A 33 11.092 10.172 2.385 1.00 0.00 N ATOM 0 H ASN A 33 10.317 5.781 0.447 1.00 0.00 H new ATOM 0 HA ASN A 33 9.114 8.289 0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.257 7.001 2.236 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.749 7.749 1.700 1.00 0.00 H new ATOM 0 HD21 ASN A 33 10.847 11.041 2.859 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.975 10.098 1.879 1.00 0.00 H new ATOM 278 N GLU A 34 12.305 8.478 -0.588 1.00 0.00 N ATOM 279 CA GLU A 34 13.283 9.308 -1.361 1.00 0.00 C ATOM 280 C GLU A 34 12.701 9.841 -2.663 1.00 0.00 C ATOM 281 O GLU A 34 13.135 10.863 -3.156 1.00 0.00 O ATOM 282 CB GLU A 34 14.506 8.445 -1.696 1.00 0.00 C ATOM 283 CG GLU A 34 15.425 8.381 -0.473 1.00 0.00 C ATOM 284 CD GLU A 34 16.322 9.620 -0.449 1.00 0.00 C ATOM 285 OE1 GLU A 34 15.977 10.553 -1.155 1.00 0.00 O ATOM 286 OE2 GLU A 34 17.303 9.564 0.276 1.00 0.00 O ATOM 0 H GLU A 34 12.704 7.668 -0.113 1.00 0.00 H new ATOM 0 HA GLU A 34 13.548 10.163 -0.739 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.191 7.442 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 34 15.041 8.866 -2.547 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.832 8.330 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.034 7.478 -0.508 1.00 0.00 H new ATOM 293 N LYS A 35 11.742 9.148 -3.199 1.00 0.00 N ATOM 294 CA LYS A 35 11.132 9.620 -4.477 1.00 0.00 C ATOM 295 C LYS A 35 9.839 10.373 -4.227 1.00 0.00 C ATOM 296 O LYS A 35 9.535 11.343 -4.892 1.00 0.00 O ATOM 297 CB LYS A 35 10.829 8.404 -5.340 1.00 0.00 C ATOM 298 CG LYS A 35 11.182 8.722 -6.796 1.00 0.00 C ATOM 299 CD LYS A 35 10.296 9.867 -7.302 1.00 0.00 C ATOM 300 CE LYS A 35 10.373 9.920 -8.827 1.00 0.00 C ATOM 301 NZ LYS A 35 11.775 10.169 -9.266 1.00 0.00 N ATOM 0 H LYS A 35 11.354 8.285 -2.817 1.00 0.00 H new ATOM 0 HA LYS A 35 11.832 10.294 -4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.403 7.544 -4.993 1.00 0.00 H new ATOM 0 HB3 LYS A 35 9.775 8.138 -5.258 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.233 9.000 -6.873 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.040 7.837 -7.417 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.265 9.715 -6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.625 10.814 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.014 8.981 -9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.721 10.708 -9.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.787 10.388 -10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.168 10.972 -8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 12.350 9.321 -9.087 1.00 0.00 H new ATOM 315 N LEU A 36 9.109 9.914 -3.273 1.00 0.00 N ATOM 316 CA LEU A 36 7.824 10.573 -2.945 1.00 0.00 C ATOM 317 C LEU A 36 8.023 11.729 -1.967 1.00 0.00 C ATOM 318 O LEU A 36 7.076 12.218 -1.385 1.00 0.00 O ATOM 319 CB LEU A 36 6.924 9.526 -2.286 1.00 0.00 C ATOM 320 CG LEU A 36 6.167 8.762 -3.371 1.00 0.00 C ATOM 321 CD1 LEU A 36 7.159 8.152 -4.361 1.00 0.00 C ATOM 322 CD2 LEU A 36 5.357 7.637 -2.718 1.00 0.00 C ATOM 0 H LEU A 36 9.343 9.105 -2.698 1.00 0.00 H new ATOM 0 HA LEU A 36 7.384 10.973 -3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.523 8.837 -1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 36 6.222 10.008 -1.606 1.00 0.00 H new ATOM 0 HG LEU A 36 5.502 9.446 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.615 7.608 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.747 8.945 -4.822 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.824 7.467 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.814 7.087 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.032 6.959 -2.195 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.649 8.064 -2.008 1.00 0.00 H new ATOM 334 N ARG A 37 9.248 12.149 -1.804 1.00 0.00 N ATOM 335 CA ARG A 37 9.507 13.270 -0.866 1.00 0.00 C ATOM 336 C ARG A 37 9.195 14.619 -1.507 1.00 0.00 C ATOM 337 O ARG A 37 9.038 15.612 -0.825 1.00 0.00 O ATOM 338 CB ARG A 37 10.988 13.228 -0.458 1.00 0.00 C ATOM 339 CG ARG A 37 11.871 13.474 -1.687 1.00 0.00 C ATOM 340 CD ARG A 37 12.591 14.811 -1.523 1.00 0.00 C ATOM 341 NE ARG A 37 13.243 15.173 -2.812 1.00 0.00 N ATOM 342 CZ ARG A 37 13.777 16.355 -2.948 1.00 0.00 C ATOM 343 NH1 ARG A 37 13.618 17.232 -1.994 1.00 0.00 N ATOM 344 NH2 ARG A 37 14.453 16.621 -4.032 1.00 0.00 N ATOM 0 H ARG A 37 10.069 11.768 -2.274 1.00 0.00 H new ATOM 0 HA ARG A 37 8.860 13.158 0.004 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.187 13.984 0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.226 12.261 -0.015 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.596 12.667 -1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.263 13.482 -2.592 1.00 0.00 H new ATOM 0 HD2 ARG A 37 11.883 15.586 -1.229 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.336 14.742 -0.731 1.00 0.00 H new ATOM 0 HE ARG A 37 13.272 14.503 -3.581 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.084 16.987 -1.160 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.028 18.162 -2.082 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.557 15.910 -4.756 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.878 17.540 -4.156 1.00 0.00 H new ATOM 358 N ASP A 38 9.110 14.630 -2.804 1.00 0.00 N ATOM 359 CA ASP A 38 8.807 15.902 -3.507 1.00 0.00 C ATOM 360 C ASP A 38 8.221 15.631 -4.881 1.00 0.00 C ATOM 361 O ASP A 38 8.870 15.840 -5.887 1.00 0.00 O ATOM 362 CB ASP A 38 10.110 16.693 -3.675 1.00 0.00 C ATOM 363 CG ASP A 38 9.795 18.065 -4.275 1.00 0.00 C ATOM 364 OD1 ASP A 38 9.056 18.784 -3.622 1.00 0.00 O ATOM 365 OD2 ASP A 38 10.310 18.317 -5.352 1.00 0.00 O ATOM 0 H ASP A 38 9.237 13.816 -3.406 1.00 0.00 H new ATOM 0 HA ASP A 38 8.082 16.466 -2.920 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.605 16.810 -2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.798 16.149 -4.323 1.00 0.00 H new ATOM 370 N THR A 39 7.003 15.167 -4.896 1.00 0.00 N ATOM 371 CA THR A 39 6.344 14.872 -6.192 1.00 0.00 C ATOM 372 C THR A 39 4.887 15.313 -6.164 1.00 0.00 C ATOM 373 O THR A 39 4.464 16.008 -5.260 1.00 0.00 O ATOM 374 CB THR A 39 6.401 13.360 -6.425 1.00 0.00 C ATOM 375 OG1 THR A 39 6.089 13.180 -7.791 1.00 0.00 O ATOM 376 CG2 THR A 39 5.269 12.646 -5.671 1.00 0.00 C ATOM 0 H THR A 39 6.439 14.981 -4.067 1.00 0.00 H new ATOM 0 HA THR A 39 6.857 15.410 -6.989 1.00 0.00 H new ATOM 0 HB THR A 39 7.371 12.975 -6.109 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.316 12.583 -7.874 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.331 11.573 -5.853 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.365 12.839 -4.603 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.307 13.018 -6.022 1.00 0.00 H new ATOM 384 N ALA A 40 4.144 14.908 -7.157 1.00 0.00 N ATOM 385 CA ALA A 40 2.713 15.296 -7.200 1.00 0.00 C ATOM 386 C ALA A 40 2.034 15.010 -5.864 1.00 0.00 C ATOM 387 O ALA A 40 2.656 14.522 -4.941 1.00 0.00 O ATOM 388 CB ALA A 40 2.018 14.472 -8.295 1.00 0.00 C ATOM 0 H ALA A 40 4.466 14.330 -7.933 1.00 0.00 H new ATOM 0 HA ALA A 40 2.640 16.363 -7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.964 14.744 -8.341 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.488 14.676 -9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.109 13.411 -8.064 1.00 0.00 H new ATOM 394 N ASP A 41 0.765 15.316 -5.792 1.00 0.00 N ATOM 395 CA ASP A 41 0.015 15.076 -4.533 1.00 0.00 C ATOM 396 C ASP A 41 -0.859 13.840 -4.660 1.00 0.00 C ATOM 397 O ASP A 41 -2.066 13.914 -4.543 1.00 0.00 O ATOM 398 CB ASP A 41 -0.886 16.294 -4.268 1.00 0.00 C ATOM 399 CG ASP A 41 -1.537 16.154 -2.890 1.00 0.00 C ATOM 400 OD1 ASP A 41 -1.391 15.082 -2.328 1.00 0.00 O ATOM 401 OD2 ASP A 41 -2.144 17.129 -2.479 1.00 0.00 O ATOM 0 H ASP A 41 0.219 15.721 -6.553 1.00 0.00 H new ATOM 0 HA ASP A 41 0.721 14.925 -3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.299 17.211 -4.314 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.653 16.368 -5.039 1.00 0.00 H new ATOM 406 N GLY A 42 -0.234 12.722 -4.896 1.00 0.00 N ATOM 407 CA GLY A 42 -1.017 11.466 -5.035 1.00 0.00 C ATOM 408 C GLY A 42 -0.235 10.443 -5.856 1.00 0.00 C ATOM 409 O GLY A 42 -0.686 9.994 -6.889 1.00 0.00 O ATOM 0 H GLY A 42 0.776 12.624 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.240 11.058 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.972 11.676 -5.517 1.00 0.00 H new ATOM 413 N THR A 43 0.924 10.097 -5.374 1.00 0.00 N ATOM 414 CA THR A 43 1.756 9.107 -6.105 1.00 0.00 C ATOM 415 C THR A 43 1.445 7.705 -5.612 1.00 0.00 C ATOM 416 O THR A 43 0.685 7.540 -4.686 1.00 0.00 O ATOM 417 CB THR A 43 3.215 9.410 -5.794 1.00 0.00 C ATOM 418 OG1 THR A 43 3.250 10.784 -5.480 1.00 0.00 O ATOM 419 CG2 THR A 43 4.097 9.274 -7.044 1.00 0.00 C ATOM 0 H THR A 43 1.329 10.456 -4.509 1.00 0.00 H new ATOM 0 HA THR A 43 1.553 9.168 -7.174 1.00 0.00 H new ATOM 0 HB THR A 43 3.568 8.736 -5.013 1.00 0.00 H new ATOM 0 HG1 THR A 43 2.932 11.303 -6.248 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.132 9.497 -6.785 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.031 8.256 -7.427 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.755 9.972 -7.808 1.00 0.00 H new ATOM 427 N PHE A 44 2.034 6.711 -6.232 1.00 0.00 N ATOM 428 CA PHE A 44 1.753 5.331 -5.772 1.00 0.00 C ATOM 429 C PHE A 44 2.705 4.310 -6.370 1.00 0.00 C ATOM 430 O PHE A 44 2.947 4.280 -7.560 1.00 0.00 O ATOM 431 CB PHE A 44 0.302 4.968 -6.128 1.00 0.00 C ATOM 432 CG PHE A 44 0.132 4.808 -7.640 1.00 0.00 C ATOM 433 CD1 PHE A 44 0.140 5.915 -8.473 1.00 0.00 C ATOM 434 CD2 PHE A 44 -0.112 3.562 -8.187 1.00 0.00 C ATOM 435 CE1 PHE A 44 -0.100 5.772 -9.825 1.00 0.00 C ATOM 436 CE2 PHE A 44 -0.352 3.423 -9.536 1.00 0.00 C ATOM 437 CZ PHE A 44 -0.347 4.521 -10.354 1.00 0.00 C ATOM 0 H PHE A 44 2.680 6.798 -7.016 1.00 0.00 H new ATOM 0 HA PHE A 44 1.900 5.304 -4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.022 4.041 -5.627 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.371 5.744 -5.763 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.335 6.895 -8.063 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.114 2.689 -7.551 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.095 6.639 -10.469 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.545 2.444 -9.950 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.536 4.409 -11.411 1.00 0.00 H new ATOM 447 N LEU A 45 3.226 3.488 -5.497 1.00 0.00 N ATOM 448 CA LEU A 45 4.166 2.440 -5.911 1.00 0.00 C ATOM 449 C LEU A 45 4.027 1.266 -4.932 1.00 0.00 C ATOM 450 O LEU A 45 2.971 1.100 -4.345 1.00 0.00 O ATOM 451 CB LEU A 45 5.607 3.016 -5.892 1.00 0.00 C ATOM 452 CG LEU A 45 5.782 3.997 -4.729 1.00 0.00 C ATOM 453 CD1 LEU A 45 5.420 3.323 -3.409 1.00 0.00 C ATOM 454 CD2 LEU A 45 7.244 4.417 -4.668 1.00 0.00 C ATOM 0 H LEU A 45 3.027 3.511 -4.497 1.00 0.00 H new ATOM 0 HA LEU A 45 3.952 2.093 -6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.328 2.203 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.815 3.521 -6.835 1.00 0.00 H new ATOM 0 HG LEU A 45 5.132 4.858 -4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.549 4.032 -2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.382 2.992 -3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.070 2.463 -3.249 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.388 5.117 -3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.869 3.538 -4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.524 4.898 -5.605 1.00 0.00 H new ATOM 466 N VAL A 46 5.071 0.484 -4.754 1.00 0.00 N ATOM 467 CA VAL A 46 4.961 -0.666 -3.806 1.00 0.00 C ATOM 468 C VAL A 46 6.018 -0.615 -2.715 1.00 0.00 C ATOM 469 O VAL A 46 6.973 0.124 -2.796 1.00 0.00 O ATOM 470 CB VAL A 46 5.098 -1.982 -4.622 1.00 0.00 C ATOM 471 CG1 VAL A 46 6.433 -2.695 -4.327 1.00 0.00 C ATOM 472 CG2 VAL A 46 3.965 -2.906 -4.225 1.00 0.00 C ATOM 0 H VAL A 46 5.974 0.592 -5.215 1.00 0.00 H new ATOM 0 HA VAL A 46 3.993 -0.617 -3.307 1.00 0.00 H new ATOM 0 HB VAL A 46 5.066 -1.737 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.494 -3.611 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.262 -2.039 -4.591 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.488 -2.940 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 46 4.041 -3.837 -4.786 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.026 -3.119 -3.158 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.011 -2.427 -4.445 1.00 0.00 H new ATOM 482 N ARG A 47 5.802 -1.405 -1.704 1.00 0.00 N ATOM 483 CA ARG A 47 6.753 -1.455 -0.575 1.00 0.00 C ATOM 484 C ARG A 47 6.919 -2.901 -0.136 1.00 0.00 C ATOM 485 O ARG A 47 6.040 -3.469 0.488 1.00 0.00 O ATOM 486 CB ARG A 47 6.183 -0.634 0.592 1.00 0.00 C ATOM 487 CG ARG A 47 7.337 -0.066 1.427 1.00 0.00 C ATOM 488 CD ARG A 47 8.144 -1.218 2.035 1.00 0.00 C ATOM 489 NE ARG A 47 8.779 -0.749 3.299 1.00 0.00 N ATOM 490 CZ ARG A 47 8.545 -1.395 4.409 1.00 0.00 C ATOM 491 NH1 ARG A 47 8.439 -2.694 4.372 1.00 0.00 N ATOM 492 NH2 ARG A 47 8.423 -0.719 5.517 1.00 0.00 N ATOM 0 H ARG A 47 4.996 -2.024 -1.615 1.00 0.00 H new ATOM 0 HA ARG A 47 7.718 -1.047 -0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 47 5.562 0.177 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 47 5.544 -1.261 1.214 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.981 0.553 0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 47 6.947 0.575 2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.494 -2.070 2.234 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.906 -1.556 1.333 1.00 0.00 H new ATOM 0 HE ARG A 47 9.390 0.068 3.297 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.539 -3.189 3.486 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.256 -3.215 5.229 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.510 0.297 5.507 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.240 -1.206 6.394 1.00 0.00 H new ATOM 506 N ASP A 48 8.034 -3.475 -0.475 1.00 0.00 N ATOM 507 CA ASP A 48 8.281 -4.883 -0.092 1.00 0.00 C ATOM 508 C ASP A 48 7.850 -5.165 1.338 1.00 0.00 C ATOM 509 O ASP A 48 8.011 -4.345 2.217 1.00 0.00 O ATOM 510 CB ASP A 48 9.783 -5.158 -0.223 1.00 0.00 C ATOM 511 CG ASP A 48 10.027 -6.668 -0.212 1.00 0.00 C ATOM 512 OD1 ASP A 48 9.037 -7.375 -0.117 1.00 0.00 O ATOM 513 OD2 ASP A 48 11.188 -7.030 -0.301 1.00 0.00 O ATOM 0 H ASP A 48 8.785 -3.028 -1.001 1.00 0.00 H new ATOM 0 HA ASP A 48 7.698 -5.529 -0.749 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.164 -4.724 -1.147 1.00 0.00 H new ATOM 0 HB3 ASP A 48 10.323 -4.685 0.597 1.00 0.00 H new ATOM 518 N ALA A 49 7.304 -6.335 1.539 1.00 0.00 N ATOM 519 CA ALA A 49 6.850 -6.709 2.896 1.00 0.00 C ATOM 520 C ALA A 49 7.969 -7.395 3.672 1.00 0.00 C ATOM 521 O ALA A 49 8.371 -8.495 3.348 1.00 0.00 O ATOM 522 CB ALA A 49 5.678 -7.691 2.751 1.00 0.00 C ATOM 0 H ALA A 49 7.156 -7.042 0.819 1.00 0.00 H new ATOM 0 HA ALA A 49 6.552 -5.811 3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.324 -7.983 3.740 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.867 -7.212 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.010 -8.576 2.208 1.00 0.00 H new ATOM 616 N ASP A 56 3.170 -10.469 -1.617 1.00 0.00 N ATOM 617 CA ASP A 56 2.394 -9.781 -0.558 1.00 0.00 C ATOM 618 C ASP A 56 3.166 -8.590 -0.019 1.00 0.00 C ATOM 619 O ASP A 56 3.672 -8.621 1.084 1.00 0.00 O ATOM 620 CB ASP A 56 2.145 -10.762 0.583 1.00 0.00 C ATOM 621 CG ASP A 56 1.112 -10.167 1.543 1.00 0.00 C ATOM 622 OD1 ASP A 56 0.632 -9.092 1.222 1.00 0.00 O ATOM 623 OD2 ASP A 56 0.864 -10.820 2.543 1.00 0.00 O ATOM 0 HA ASP A 56 1.452 -9.431 -0.980 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.787 -11.713 0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.076 -10.966 1.112 1.00 0.00 H new ATOM 628 N TYR A 57 3.240 -7.558 -0.807 1.00 0.00 N ATOM 629 CA TYR A 57 3.966 -6.361 -0.370 1.00 0.00 C ATOM 630 C TYR A 57 3.051 -5.399 0.346 1.00 0.00 C ATOM 631 O TYR A 57 2.193 -5.794 1.110 1.00 0.00 O ATOM 632 CB TYR A 57 4.527 -5.674 -1.615 1.00 0.00 C ATOM 633 CG TYR A 57 5.130 -6.734 -2.537 1.00 0.00 C ATOM 634 CD1 TYR A 57 6.098 -7.600 -2.071 1.00 0.00 C ATOM 635 CD2 TYR A 57 4.706 -6.850 -3.846 1.00 0.00 C ATOM 636 CE1 TYR A 57 6.631 -8.565 -2.897 1.00 0.00 C ATOM 637 CE2 TYR A 57 5.240 -7.816 -4.672 1.00 0.00 C ATOM 638 CZ TYR A 57 6.208 -8.681 -4.204 1.00 0.00 C ATOM 639 OH TYR A 57 6.744 -9.646 -5.031 1.00 0.00 O ATOM 0 H TYR A 57 2.824 -7.501 -1.737 1.00 0.00 H new ATOM 0 HA TYR A 57 4.759 -6.653 0.318 1.00 0.00 H new ATOM 0 HB2 TYR A 57 3.738 -5.129 -2.133 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.286 -4.944 -1.333 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.441 -7.521 -1.050 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.950 -6.179 -4.226 1.00 0.00 H new ATOM 0 HE1 TYR A 57 7.387 -9.237 -2.517 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.898 -7.896 -5.693 1.00 0.00 H new ATOM 0 HH TYR A 57 6.330 -9.584 -5.917 1.00 0.00 H new ATOM 649 N THR A 58 3.253 -4.159 0.084 1.00 0.00 N ATOM 650 CA THR A 58 2.423 -3.133 0.725 1.00 0.00 C ATOM 651 C THR A 58 2.284 -1.907 -0.174 1.00 0.00 C ATOM 652 O THR A 58 3.248 -1.217 -0.444 1.00 0.00 O ATOM 653 CB THR A 58 3.118 -2.742 2.016 1.00 0.00 C ATOM 654 OG1 THR A 58 2.489 -3.514 3.021 1.00 0.00 O ATOM 655 CG2 THR A 58 2.810 -1.294 2.402 1.00 0.00 C ATOM 0 H THR A 58 3.966 -3.806 -0.554 1.00 0.00 H new ATOM 0 HA THR A 58 1.422 -3.521 0.913 1.00 0.00 H new ATOM 0 HB THR A 58 4.194 -2.881 1.907 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.224 -4.381 2.650 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.324 -1.048 3.331 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.151 -0.626 1.611 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.735 -1.175 2.539 1.00 0.00 H new ATOM 663 N LEU A 59 1.086 -1.670 -0.639 1.00 0.00 N ATOM 664 CA LEU A 59 0.864 -0.496 -1.521 1.00 0.00 C ATOM 665 C LEU A 59 1.042 0.793 -0.726 1.00 0.00 C ATOM 666 O LEU A 59 0.553 0.903 0.381 1.00 0.00 O ATOM 667 CB LEU A 59 -0.585 -0.557 -2.051 1.00 0.00 C ATOM 668 CG LEU A 59 -0.602 -0.374 -3.576 1.00 0.00 C ATOM 669 CD1 LEU A 59 -0.242 -1.695 -4.250 1.00 0.00 C ATOM 670 CD2 LEU A 59 -2.013 0.033 -4.010 1.00 0.00 C ATOM 0 H LEU A 59 0.260 -2.236 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 59 1.580 -0.512 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.036 -1.514 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.186 0.220 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 59 0.118 0.393 -3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.254 -1.566 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.753 -2.006 -3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.968 -2.457 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -2.037 0.166 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.720 -0.746 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -2.288 0.969 -3.523 1.00 0.00 H new ATOM 682 N THR A 60 1.749 1.741 -1.297 1.00 0.00 N ATOM 683 CA THR A 60 1.962 3.028 -0.580 1.00 0.00 C ATOM 684 C THR A 60 1.755 4.214 -1.517 1.00 0.00 C ATOM 685 O THR A 60 2.242 4.215 -2.632 1.00 0.00 O ATOM 686 CB THR A 60 3.400 3.050 -0.054 1.00 0.00 C ATOM 687 OG1 THR A 60 3.306 2.650 1.299 1.00 0.00 O ATOM 688 CG2 THR A 60 3.952 4.486 0.010 1.00 0.00 C ATOM 0 H THR A 60 2.181 1.676 -2.219 1.00 0.00 H new ATOM 0 HA THR A 60 1.245 3.107 0.237 1.00 0.00 H new ATOM 0 HB THR A 60 4.030 2.431 -0.692 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.200 2.641 1.700 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.974 4.466 0.387 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.942 4.924 -0.988 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.331 5.085 0.676 1.00 0.00 H new ATOM 696 N LEU A 61 1.029 5.205 -1.042 1.00 0.00 N ATOM 697 CA LEU A 61 0.769 6.411 -1.885 1.00 0.00 C ATOM 698 C LEU A 61 1.171 7.683 -1.161 1.00 0.00 C ATOM 699 O LEU A 61 1.067 7.775 0.040 1.00 0.00 O ATOM 700 CB LEU A 61 -0.738 6.498 -2.223 1.00 0.00 C ATOM 701 CG LEU A 61 -1.500 5.321 -1.623 1.00 0.00 C ATOM 702 CD1 LEU A 61 -2.998 5.553 -1.836 1.00 0.00 C ATOM 703 CD2 LEU A 61 -1.084 4.020 -2.329 1.00 0.00 C ATOM 0 H LEU A 61 0.610 5.226 -0.112 1.00 0.00 H new ATOM 0 HA LEU A 61 1.361 6.315 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.147 7.434 -1.841 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.872 6.510 -3.305 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.276 5.238 -0.559 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.559 4.720 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.296 6.479 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.207 5.626 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.630 3.181 -1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.313 4.094 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.014 3.861 -2.198 1.00 0.00 H new ATOM 715 N ARG A 62 1.626 8.648 -1.915 1.00 0.00 N ATOM 716 CA ARG A 62 2.040 9.921 -1.298 1.00 0.00 C ATOM 717 C ARG A 62 0.892 10.909 -1.279 1.00 0.00 C ATOM 718 O ARG A 62 0.436 11.353 -2.323 1.00 0.00 O ATOM 719 CB ARG A 62 3.179 10.500 -2.148 1.00 0.00 C ATOM 720 CG ARG A 62 3.700 11.800 -1.525 1.00 0.00 C ATOM 721 CD ARG A 62 4.201 11.535 -0.101 1.00 0.00 C ATOM 722 NE ARG A 62 5.275 12.518 0.222 1.00 0.00 N ATOM 723 CZ ARG A 62 5.957 12.387 1.327 1.00 0.00 C ATOM 724 NH1 ARG A 62 5.909 11.252 1.968 1.00 0.00 N ATOM 725 NH2 ARG A 62 6.665 13.397 1.754 1.00 0.00 N ATOM 0 H ARG A 62 1.725 8.601 -2.929 1.00 0.00 H new ATOM 0 HA ARG A 62 2.357 9.743 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.989 9.775 -2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.825 10.691 -3.161 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.508 12.206 -2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.907 12.548 -1.507 1.00 0.00 H new ATOM 0 HD2 ARG A 62 3.380 11.625 0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.584 10.518 -0.019 1.00 0.00 H new ATOM 0 HE ARG A 62 5.475 13.288 -0.417 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.345 10.484 1.604 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.436 11.132 2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.679 14.270 1.226 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.205 13.314 2.616 1.00 0.00 H new ATOM 739 N LYS A 63 0.441 11.235 -0.093 1.00 0.00 N ATOM 740 CA LYS A 63 -0.680 12.198 0.028 1.00 0.00 C ATOM 741 C LYS A 63 -0.180 13.631 -0.111 1.00 0.00 C ATOM 742 O LYS A 63 -0.727 14.548 0.468 1.00 0.00 O ATOM 743 CB LYS A 63 -1.318 12.023 1.407 1.00 0.00 C ATOM 744 CG LYS A 63 -2.843 11.995 1.264 1.00 0.00 C ATOM 745 CD LYS A 63 -3.287 10.589 0.849 1.00 0.00 C ATOM 746 CE LYS A 63 -4.716 10.654 0.310 1.00 0.00 C ATOM 747 NZ LYS A 63 -5.406 9.351 0.509 1.00 0.00 N ATOM 0 H LYS A 63 0.803 10.874 0.789 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.404 12.006 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.968 11.099 1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.019 12.839 2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.313 12.274 2.207 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.163 12.724 0.520 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.616 10.192 0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.237 9.912 1.702 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.267 11.446 0.818 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.700 10.906 -0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.376 9.411 0.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.888 8.603 0.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.437 9.126 1.524 1.00 0.00 H new ATOM 761 N GLY A 64 0.850 13.790 -0.885 1.00 0.00 N ATOM 762 CA GLY A 64 1.420 15.154 -1.090 1.00 0.00 C ATOM 763 C GLY A 64 2.100 15.668 0.175 1.00 0.00 C ATOM 764 O GLY A 64 2.231 16.860 0.368 1.00 0.00 O ATOM 0 H GLY A 64 1.325 13.039 -1.386 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.140 15.130 -1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.627 15.841 -1.384 1.00 0.00 H new ATOM 768 N GLY A 65 2.520 14.769 1.010 1.00 0.00 N ATOM 769 CA GLY A 65 3.195 15.209 2.266 1.00 0.00 C ATOM 770 C GLY A 65 3.446 14.028 3.195 1.00 0.00 C ATOM 771 O GLY A 65 4.491 13.933 3.811 1.00 0.00 O ATOM 0 H GLY A 65 2.430 13.761 0.886 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.141 15.693 2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.578 15.951 2.774 1.00 0.00 H new ATOM 775 N ASN A 66 2.483 13.160 3.274 1.00 0.00 N ATOM 776 CA ASN A 66 2.621 11.967 4.154 1.00 0.00 C ATOM 777 C ASN A 66 2.426 10.682 3.363 1.00 0.00 C ATOM 778 O ASN A 66 1.544 10.588 2.534 1.00 0.00 O ATOM 779 CB ASN A 66 1.537 12.047 5.236 1.00 0.00 C ATOM 780 CG ASN A 66 1.947 11.181 6.430 1.00 0.00 C ATOM 781 OD1 ASN A 66 2.528 11.655 7.385 1.00 0.00 O ATOM 782 ND2 ASN A 66 1.662 9.907 6.416 1.00 0.00 N ATOM 0 H ASN A 66 1.601 13.223 2.766 1.00 0.00 H new ATOM 0 HA ASN A 66 3.620 11.957 4.591 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.399 13.081 5.553 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.582 11.706 4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.927 9.316 7.204 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.174 9.502 5.617 1.00 0.00 H new ATOM 789 N ASN A 67 3.254 9.712 3.636 1.00 0.00 N ATOM 790 CA ASN A 67 3.131 8.426 2.911 1.00 0.00 C ATOM 791 C ASN A 67 2.014 7.579 3.506 1.00 0.00 C ATOM 792 O ASN A 67 2.072 7.188 4.654 1.00 0.00 O ATOM 793 CB ASN A 67 4.457 7.658 3.048 1.00 0.00 C ATOM 794 CG ASN A 67 5.334 8.332 4.105 1.00 0.00 C ATOM 795 OD1 ASN A 67 4.942 8.329 5.348 1.00 0.00 O flip ATOM 796 ND2 ASN A 67 6.385 8.865 3.806 1.00 0.00 N flip ATOM 0 H ASN A 67 4.004 9.757 4.326 1.00 0.00 H new ATOM 0 HA ASN A 67 2.903 8.628 1.865 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.262 6.623 3.329 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.977 7.636 2.090 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.696 8.870 2.835 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.956 9.307 4.527 1.00 0.00 H new ATOM 803 N LYS A 68 1.015 7.310 2.713 1.00 0.00 N ATOM 804 CA LYS A 68 -0.108 6.493 3.208 1.00 0.00 C ATOM 805 C LYS A 68 0.191 5.022 2.973 1.00 0.00 C ATOM 806 O LYS A 68 0.444 4.608 1.858 1.00 0.00 O ATOM 807 CB LYS A 68 -1.359 6.890 2.417 1.00 0.00 C ATOM 808 CG LYS A 68 -2.605 6.479 3.193 1.00 0.00 C ATOM 809 CD LYS A 68 -3.689 6.088 2.194 1.00 0.00 C ATOM 810 CE LYS A 68 -5.018 5.911 2.930 1.00 0.00 C ATOM 811 NZ LYS A 68 -4.967 4.718 3.821 1.00 0.00 N ATOM 0 H LYS A 68 0.935 7.624 1.746 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.259 6.657 4.275 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.365 7.966 2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.352 6.408 1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.380 5.643 3.855 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.948 7.300 3.822 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.785 6.856 1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.415 5.163 1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.236 6.802 3.518 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.828 5.799 2.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.903 4.563 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.697 3.881 3.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.266 4.876 4.572 1.00 0.00 H new ATOM 825 N LEU A 69 0.161 4.257 4.025 1.00 0.00 N ATOM 826 CA LEU A 69 0.448 2.811 3.879 1.00 0.00 C ATOM 827 C LEU A 69 -0.814 1.986 3.668 1.00 0.00 C ATOM 828 O LEU A 69 -1.812 2.177 4.335 1.00 0.00 O ATOM 829 CB LEU A 69 1.125 2.331 5.172 1.00 0.00 C ATOM 830 CG LEU A 69 1.947 1.064 4.889 1.00 0.00 C ATOM 831 CD1 LEU A 69 3.437 1.430 4.851 1.00 0.00 C ATOM 832 CD2 LEU A 69 1.705 0.052 6.013 1.00 0.00 C ATOM 0 H LEU A 69 -0.049 4.570 4.973 1.00 0.00 H new ATOM 0 HA LEU A 69 1.084 2.678 3.004 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.772 3.114 5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.372 2.125 5.933 1.00 0.00 H new ATOM 0 HG LEU A 69 1.650 0.633 3.933 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.026 0.535 4.651 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.612 2.163 4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.733 1.852 5.812 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.285 -0.851 5.821 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.013 0.485 6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.645 -0.199 6.054 1.00 0.00 H new ATOM 844 N ILE A 70 -0.731 1.074 2.739 1.00 0.00 N ATOM 845 CA ILE A 70 -1.891 0.200 2.439 1.00 0.00 C ATOM 846 C ILE A 70 -1.395 -1.224 2.229 1.00 0.00 C ATOM 847 O ILE A 70 -0.527 -1.464 1.414 1.00 0.00 O ATOM 848 CB ILE A 70 -2.557 0.695 1.167 1.00 0.00 C ATOM 849 CG1 ILE A 70 -3.445 1.882 1.486 1.00 0.00 C ATOM 850 CG2 ILE A 70 -3.434 -0.429 0.592 1.00 0.00 C ATOM 851 CD1 ILE A 70 -3.402 2.854 0.315 1.00 0.00 C ATOM 0 H ILE A 70 0.099 0.898 2.173 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.604 0.221 3.263 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.792 0.988 0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.468 1.551 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.105 2.374 2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.917 -0.083 -0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.813 -1.297 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -4.195 -0.706 1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.037 3.713 0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -2.377 3.191 0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -3.761 2.355 -0.585 1.00 0.00 H new ATOM 863 N LYS A 71 -1.946 -2.142 2.962 1.00 0.00 N ATOM 864 CA LYS A 71 -1.503 -3.551 2.811 1.00 0.00 C ATOM 865 C LYS A 71 -2.220 -4.290 1.682 1.00 0.00 C ATOM 866 O LYS A 71 -3.352 -4.005 1.351 1.00 0.00 O ATOM 867 CB LYS A 71 -1.796 -4.283 4.129 1.00 0.00 C ATOM 868 CG LYS A 71 -1.329 -5.740 4.008 1.00 0.00 C ATOM 869 CD LYS A 71 -0.800 -6.230 5.363 1.00 0.00 C ATOM 870 CE LYS A 71 -1.938 -6.222 6.390 1.00 0.00 C ATOM 871 NZ LYS A 71 -1.675 -5.214 7.455 1.00 0.00 N ATOM 0 H LYS A 71 -2.678 -1.982 3.654 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.441 -3.539 2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.282 -3.791 4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.863 -4.247 4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.156 -6.371 3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -0.548 -5.820 3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.393 -7.236 5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.014 -5.588 5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.882 -5.997 5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.040 -7.212 6.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.573 -4.938 7.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.044 -5.624 8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.224 -4.376 7.036 1.00 0.00 H new ATOM 885 N ILE A 72 -1.512 -5.233 1.114 1.00 0.00 N ATOM 886 CA ILE A 72 -2.066 -6.048 0.004 1.00 0.00 C ATOM 887 C ILE A 72 -2.560 -7.375 0.607 1.00 0.00 C ATOM 888 O ILE A 72 -1.797 -8.059 1.259 1.00 0.00 O ATOM 889 CB ILE A 72 -0.888 -6.317 -0.965 1.00 0.00 C ATOM 890 CG1 ILE A 72 -0.787 -5.202 -2.021 1.00 0.00 C ATOM 891 CG2 ILE A 72 -1.072 -7.685 -1.662 1.00 0.00 C ATOM 892 CD1 ILE A 72 -1.821 -5.408 -3.139 1.00 0.00 C ATOM 0 H ILE A 72 -0.557 -5.472 1.381 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.888 -5.556 -0.516 1.00 0.00 H new ATOM 0 HB ILE A 72 0.035 -6.332 -0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.945 -4.233 -1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.216 -5.189 -2.447 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.238 -7.863 -2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.104 -8.475 -0.911 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.005 -7.683 -2.226 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.729 -4.607 -3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.645 -6.367 -3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.824 -5.396 -2.713 1.00 0.00 H new ATOM 904 N PHE A 73 -3.815 -7.733 0.387 1.00 0.00 N ATOM 905 CA PHE A 73 -4.291 -9.020 0.980 1.00 0.00 C ATOM 906 C PHE A 73 -4.073 -10.208 0.046 1.00 0.00 C ATOM 907 O PHE A 73 -4.757 -10.365 -0.944 1.00 0.00 O ATOM 908 CB PHE A 73 -5.797 -8.919 1.320 1.00 0.00 C ATOM 909 CG PHE A 73 -6.274 -7.460 1.250 1.00 0.00 C ATOM 910 CD1 PHE A 73 -5.569 -6.451 1.889 1.00 0.00 C ATOM 911 CD2 PHE A 73 -7.424 -7.133 0.550 1.00 0.00 C ATOM 912 CE1 PHE A 73 -6.007 -5.144 1.824 1.00 0.00 C ATOM 913 CE2 PHE A 73 -7.858 -5.823 0.488 1.00 0.00 C ATOM 914 CZ PHE A 73 -7.149 -4.831 1.124 1.00 0.00 C ATOM 0 H PHE A 73 -4.500 -7.208 -0.157 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.705 -9.190 1.883 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -6.373 -9.529 0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -5.977 -9.318 2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.672 -6.690 2.441 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -7.985 -7.908 0.049 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -5.451 -4.365 2.324 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -8.755 -5.578 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.489 -3.807 1.074 1.00 0.00 H new ATOM 924 N HIS A 74 -3.105 -11.019 0.399 1.00 0.00 N ATOM 925 CA HIS A 74 -2.780 -12.220 -0.415 1.00 0.00 C ATOM 926 C HIS A 74 -3.040 -13.475 0.424 1.00 0.00 C ATOM 927 O HIS A 74 -3.151 -13.386 1.630 1.00 0.00 O ATOM 928 CB HIS A 74 -1.288 -12.162 -0.764 1.00 0.00 C ATOM 929 CG HIS A 74 -0.738 -13.583 -0.848 1.00 0.00 C ATOM 930 ND1 HIS A 74 -0.143 -14.175 0.078 1.00 0.00 N ATOM 931 CD2 HIS A 74 -0.779 -14.479 -1.893 1.00 0.00 C ATOM 932 CE1 HIS A 74 0.196 -15.347 -0.263 1.00 0.00 C ATOM 933 NE2 HIS A 74 -0.169 -15.637 -1.514 1.00 0.00 N ATOM 0 H HIS A 74 -2.523 -10.894 1.227 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.389 -12.247 -1.319 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.144 -11.647 -1.714 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.747 -11.594 -0.007 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.224 -14.293 -2.859 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.721 -16.034 0.385 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -0.029 -16.497 -2.045 1.00 0.00 H new ATOM 941 N ARG A 75 -3.138 -14.625 -0.203 1.00 0.00 N ATOM 942 CA ARG A 75 -3.391 -15.848 0.615 1.00 0.00 C ATOM 943 C ARG A 75 -2.844 -17.114 -0.052 1.00 0.00 C ATOM 944 O ARG A 75 -1.870 -17.679 0.405 1.00 0.00 O ATOM 945 CB ARG A 75 -4.911 -15.992 0.819 1.00 0.00 C ATOM 946 CG ARG A 75 -5.178 -16.517 2.234 1.00 0.00 C ATOM 947 CD ARG A 75 -6.687 -16.635 2.449 1.00 0.00 C ATOM 948 NE ARG A 75 -6.967 -16.650 3.913 1.00 0.00 N ATOM 949 CZ ARG A 75 -7.641 -15.667 4.446 1.00 0.00 C ATOM 950 NH1 ARG A 75 -8.854 -15.434 4.026 1.00 0.00 N ATOM 951 NH2 ARG A 75 -7.080 -14.950 5.382 1.00 0.00 N ATOM 0 H ARG A 75 -3.057 -14.766 -1.210 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.875 -15.735 1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.403 -15.030 0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.327 -16.676 0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.702 -17.488 2.371 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.745 -15.843 2.973 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.202 -15.799 1.975 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.064 -17.546 1.984 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.635 -17.421 4.493 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.260 -16.015 3.293 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.396 -14.670 4.431 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.130 -15.162 5.686 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.592 -14.178 5.809 1.00 0.00 H new ATOM 965 N ASP A 76 -3.471 -17.541 -1.112 1.00 0.00 N ATOM 966 CA ASP A 76 -2.984 -18.764 -1.794 1.00 0.00 C ATOM 967 C ASP A 76 -1.952 -18.418 -2.854 1.00 0.00 C ATOM 968 O ASP A 76 -0.820 -18.856 -2.789 1.00 0.00 O ATOM 969 CB ASP A 76 -4.174 -19.448 -2.467 1.00 0.00 C ATOM 970 CG ASP A 76 -5.350 -19.504 -1.488 1.00 0.00 C ATOM 971 OD1 ASP A 76 -5.068 -19.480 -0.301 1.00 0.00 O ATOM 972 OD2 ASP A 76 -6.464 -19.568 -1.983 1.00 0.00 O ATOM 0 H ASP A 76 -4.290 -17.100 -1.529 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.520 -19.421 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.461 -18.902 -3.366 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -3.899 -20.455 -2.780 1.00 0.00 H new ATOM 977 N GLY A 77 -2.358 -17.638 -3.810 1.00 0.00 N ATOM 978 CA GLY A 77 -1.412 -17.248 -4.890 1.00 0.00 C ATOM 979 C GLY A 77 -1.982 -16.079 -5.685 1.00 0.00 C ATOM 980 O GLY A 77 -1.449 -15.702 -6.709 1.00 0.00 O ATOM 0 H GLY A 77 -3.299 -17.254 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.450 -16.971 -4.459 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.233 -18.096 -5.552 1.00 0.00 H new ATOM 984 N LYS A 78 -3.060 -15.532 -5.183 1.00 0.00 N ATOM 985 CA LYS A 78 -3.704 -14.393 -5.863 1.00 0.00 C ATOM 986 C LYS A 78 -3.594 -13.126 -5.004 1.00 0.00 C ATOM 987 O LYS A 78 -2.720 -13.030 -4.166 1.00 0.00 O ATOM 988 CB LYS A 78 -5.185 -14.770 -6.086 1.00 0.00 C ATOM 989 CG LYS A 78 -5.520 -16.033 -5.287 1.00 0.00 C ATOM 990 CD LYS A 78 -7.022 -16.291 -5.384 1.00 0.00 C ATOM 991 CE LYS A 78 -7.377 -17.525 -4.552 1.00 0.00 C ATOM 992 NZ LYS A 78 -8.272 -18.435 -5.323 1.00 0.00 N ATOM 0 H LYS A 78 -3.517 -15.836 -4.323 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.215 -14.186 -6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.831 -13.949 -5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.372 -14.938 -7.147 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -4.964 -16.885 -5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.224 -15.910 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.576 -15.424 -5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.310 -16.444 -6.424 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.467 -18.054 -4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.868 -17.219 -3.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.503 -19.267 -4.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.148 -17.932 -5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.790 -18.741 -6.192 1.00 0.00 H new ATOM 1006 N TYR A 79 -4.475 -12.180 -5.231 1.00 0.00 N ATOM 1007 CA TYR A 79 -4.430 -10.926 -4.440 1.00 0.00 C ATOM 1008 C TYR A 79 -5.794 -10.558 -3.928 1.00 0.00 C ATOM 1009 O TYR A 79 -6.789 -11.129 -4.324 1.00 0.00 O ATOM 1010 CB TYR A 79 -3.959 -9.800 -5.352 1.00 0.00 C ATOM 1011 CG TYR A 79 -2.466 -9.911 -5.552 1.00 0.00 C ATOM 1012 CD1 TYR A 79 -1.954 -10.877 -6.381 1.00 0.00 C ATOM 1013 CD2 TYR A 79 -1.613 -9.039 -4.923 1.00 0.00 C ATOM 1014 CE1 TYR A 79 -0.600 -10.977 -6.583 1.00 0.00 C ATOM 1015 CE2 TYR A 79 -0.256 -9.132 -5.119 1.00 0.00 C ATOM 1016 CZ TYR A 79 0.267 -10.103 -5.953 1.00 0.00 C ATOM 1017 OH TYR A 79 1.630 -10.201 -6.150 1.00 0.00 O ATOM 0 H TYR A 79 -5.217 -12.229 -5.929 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.758 -11.074 -3.595 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.471 -9.856 -6.312 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.208 -8.833 -4.914 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -2.622 -11.564 -6.879 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.010 -8.276 -4.270 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -0.210 -11.742 -7.237 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.407 -8.442 -4.618 1.00 0.00 H new ATOM 0 HH TYR A 79 2.086 -9.506 -5.631 1.00 0.00 H new ATOM 1027 N GLY A 80 -5.811 -9.599 -3.061 1.00 0.00 N ATOM 1028 CA GLY A 80 -7.091 -9.151 -2.489 1.00 0.00 C ATOM 1029 C GLY A 80 -7.109 -7.640 -2.430 1.00 0.00 C ATOM 1030 O GLY A 80 -6.285 -7.023 -1.768 1.00 0.00 O ATOM 0 H GLY A 80 -4.986 -9.104 -2.723 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.921 -9.513 -3.096 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.222 -9.567 -1.490 1.00 0.00 H new ATOM 1034 N PHE A 81 -8.027 -7.073 -3.146 1.00 0.00 N ATOM 1035 CA PHE A 81 -8.141 -5.616 -3.165 1.00 0.00 C ATOM 1036 C PHE A 81 -9.575 -5.223 -3.459 1.00 0.00 C ATOM 1037 O PHE A 81 -10.031 -4.159 -3.091 1.00 0.00 O ATOM 1038 CB PHE A 81 -7.241 -5.083 -4.273 1.00 0.00 C ATOM 1039 CG PHE A 81 -6.328 -4.037 -3.678 1.00 0.00 C ATOM 1040 CD1 PHE A 81 -5.212 -4.410 -2.963 1.00 0.00 C ATOM 1041 CD2 PHE A 81 -6.647 -2.701 -3.777 1.00 0.00 C ATOM 1042 CE1 PHE A 81 -4.433 -3.458 -2.351 1.00 0.00 C ATOM 1043 CE2 PHE A 81 -5.870 -1.753 -3.165 1.00 0.00 C ATOM 1044 CZ PHE A 81 -4.762 -2.133 -2.449 1.00 0.00 C ATOM 0 H PHE A 81 -8.706 -7.570 -3.722 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.846 -5.204 -2.200 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.657 -5.893 -4.711 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.840 -4.652 -5.075 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -4.948 -5.454 -2.883 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.517 -2.398 -4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -3.559 -3.756 -1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -6.129 -0.708 -3.246 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.150 -1.387 -1.963 1.00 0.00 H new ATOM 1054 N SER A 82 -10.256 -6.109 -4.122 1.00 0.00 N ATOM 1055 CA SER A 82 -11.675 -5.854 -4.476 1.00 0.00 C ATOM 1056 C SER A 82 -12.469 -7.136 -4.368 1.00 0.00 C ATOM 1057 O SER A 82 -13.252 -7.314 -3.457 1.00 0.00 O ATOM 1058 CB SER A 82 -11.742 -5.354 -5.924 1.00 0.00 C ATOM 1059 OG SER A 82 -10.917 -6.261 -6.640 1.00 0.00 O ATOM 0 H SER A 82 -9.887 -7.007 -4.437 1.00 0.00 H new ATOM 0 HA SER A 82 -12.090 -5.110 -3.796 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.764 -5.361 -6.302 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.378 -4.330 -6.010 1.00 0.00 H new ATOM 0 HG SER A 82 -11.246 -6.346 -7.559 1.00 0.00 H new ATOM 1065 N ASP A 83 -12.257 -8.007 -5.304 1.00 0.00 N ATOM 1066 CA ASP A 83 -12.987 -9.290 -5.279 1.00 0.00 C ATOM 1067 C ASP A 83 -12.461 -10.142 -4.106 1.00 0.00 C ATOM 1068 O ASP A 83 -11.313 -10.015 -3.744 1.00 0.00 O ATOM 1069 CB ASP A 83 -12.702 -10.033 -6.606 1.00 0.00 C ATOM 1070 CG ASP A 83 -13.988 -10.102 -7.436 1.00 0.00 C ATOM 1071 OD1 ASP A 83 -14.211 -9.152 -8.168 1.00 0.00 O ATOM 1072 OD2 ASP A 83 -14.674 -11.100 -7.290 1.00 0.00 O ATOM 0 H ASP A 83 -11.611 -7.885 -6.084 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.057 -9.118 -5.159 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -11.922 -9.516 -7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.334 -11.038 -6.401 1.00 0.00 H new ATOM 1077 N PRO A 84 -13.306 -10.998 -3.517 1.00 0.00 N ATOM 1078 CA PRO A 84 -12.863 -11.834 -2.397 1.00 0.00 C ATOM 1079 C PRO A 84 -11.747 -12.792 -2.853 1.00 0.00 C ATOM 1080 O PRO A 84 -11.955 -13.983 -2.977 1.00 0.00 O ATOM 1081 CB PRO A 84 -14.133 -12.629 -1.973 1.00 0.00 C ATOM 1082 CG PRO A 84 -15.233 -12.336 -3.038 1.00 0.00 C ATOM 1083 CD PRO A 84 -14.715 -11.187 -3.921 1.00 0.00 C ATOM 0 HA PRO A 84 -12.453 -11.247 -1.575 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -13.920 -13.697 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -14.466 -12.323 -0.981 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -15.433 -13.223 -3.639 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.171 -12.059 -2.557 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.792 -11.437 -4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -15.295 -10.278 -3.766 1.00 0.00 H new ATOM 1091 N LEU A 85 -10.572 -12.236 -3.080 1.00 0.00 N ATOM 1092 CA LEU A 85 -9.427 -13.073 -3.527 1.00 0.00 C ATOM 1093 C LEU A 85 -9.904 -14.172 -4.470 1.00 0.00 C ATOM 1094 O LEU A 85 -9.752 -15.347 -4.198 1.00 0.00 O ATOM 1095 CB LEU A 85 -8.761 -13.695 -2.286 1.00 0.00 C ATOM 1096 CG LEU A 85 -7.736 -12.699 -1.719 1.00 0.00 C ATOM 1097 CD1 LEU A 85 -7.743 -12.776 -0.201 1.00 0.00 C ATOM 1098 CD2 LEU A 85 -6.341 -13.062 -2.228 1.00 0.00 C ATOM 0 H LEU A 85 -10.368 -11.242 -2.973 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.710 -12.453 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.513 -13.931 -1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.270 -14.631 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.996 -11.690 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -7.017 -12.070 0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -8.737 -12.527 0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -7.481 -13.786 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.613 -12.357 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.086 -14.071 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.328 -13.017 -3.317 1.00 0.00 H new ATOM 1110 N THR A 86 -10.493 -13.748 -5.563 1.00 0.00 N ATOM 1111 CA THR A 86 -11.005 -14.719 -6.563 1.00 0.00 C ATOM 1112 C THR A 86 -10.420 -14.424 -7.935 1.00 0.00 C ATOM 1113 O THR A 86 -10.434 -15.265 -8.811 1.00 0.00 O ATOM 1114 CB THR A 86 -12.528 -14.577 -6.634 1.00 0.00 C ATOM 1115 OG1 THR A 86 -12.856 -13.588 -5.681 1.00 0.00 O ATOM 1116 CG2 THR A 86 -13.218 -15.850 -6.122 1.00 0.00 C ATOM 0 H THR A 86 -10.638 -12.767 -5.800 1.00 0.00 H new ATOM 0 HA THR A 86 -10.720 -15.729 -6.267 1.00 0.00 H new ATOM 0 HB THR A 86 -12.832 -14.362 -7.658 1.00 0.00 H new ATOM 0 HG1 THR A 86 -13.826 -13.447 -5.677 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.299 -15.727 -6.182 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.915 -16.699 -6.734 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.930 -16.029 -5.086 1.00 0.00 H new ATOM 1124 N PHE A 87 -9.913 -13.229 -8.103 1.00 0.00 N ATOM 1125 CA PHE A 87 -9.327 -12.882 -9.414 1.00 0.00 C ATOM 1126 C PHE A 87 -7.911 -13.436 -9.496 1.00 0.00 C ATOM 1127 O PHE A 87 -7.691 -14.576 -9.143 1.00 0.00 O ATOM 1128 CB PHE A 87 -9.333 -11.336 -9.606 1.00 0.00 C ATOM 1129 CG PHE A 87 -8.587 -10.621 -8.465 1.00 0.00 C ATOM 1130 CD1 PHE A 87 -9.136 -10.535 -7.193 1.00 0.00 C ATOM 1131 CD2 PHE A 87 -7.365 -10.016 -8.705 1.00 0.00 C ATOM 1132 CE1 PHE A 87 -8.470 -9.863 -6.189 1.00 0.00 C ATOM 1133 CE2 PHE A 87 -6.707 -9.345 -7.701 1.00 0.00 C ATOM 1134 CZ PHE A 87 -7.257 -9.269 -6.444 1.00 0.00 C ATOM 0 H PHE A 87 -9.883 -12.495 -7.396 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.922 -13.325 -10.213 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.868 -11.085 -10.559 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.362 -10.978 -9.650 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.090 -10.997 -6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.925 -10.072 -9.690 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -8.902 -9.804 -5.201 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -5.755 -8.876 -7.901 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.737 -8.743 -5.657 1.00 0.00 H new ATOM 1144 N ASN A 88 -6.966 -12.654 -9.942 1.00 0.00 N ATOM 1145 CA ASN A 88 -5.581 -13.223 -10.015 1.00 0.00 C ATOM 1146 C ASN A 88 -4.494 -12.192 -10.319 1.00 0.00 C ATOM 1147 O ASN A 88 -3.324 -12.493 -10.180 1.00 0.00 O ATOM 1148 CB ASN A 88 -5.553 -14.282 -11.131 1.00 0.00 C ATOM 1149 CG ASN A 88 -5.450 -13.584 -12.488 1.00 0.00 C ATOM 1150 OD1 ASN A 88 -6.362 -12.712 -12.823 1.00 0.00 O flip ATOM 1151 ND2 ASN A 88 -4.539 -13.825 -13.255 1.00 0.00 N flip ATOM 0 H ASN A 88 -7.078 -11.687 -10.248 1.00 0.00 H new ATOM 0 HA ASN A 88 -5.362 -13.635 -9.030 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -4.706 -14.954 -10.990 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.455 -14.893 -11.091 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -3.823 -14.505 -12.999 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -4.490 -13.347 -14.155 1.00 0.00 H new ATOM 1158 N SER A 89 -4.870 -11.013 -10.728 1.00 0.00 N ATOM 1159 CA SER A 89 -3.815 -9.995 -11.031 1.00 0.00 C ATOM 1160 C SER A 89 -4.224 -8.582 -10.643 1.00 0.00 C ATOM 1161 O SER A 89 -5.363 -8.157 -10.827 1.00 0.00 O ATOM 1162 CB SER A 89 -3.542 -10.023 -12.534 1.00 0.00 C ATOM 1163 OG SER A 89 -4.433 -11.011 -13.034 1.00 0.00 O ATOM 0 H SER A 89 -5.835 -10.711 -10.864 1.00 0.00 H new ATOM 0 HA SER A 89 -2.932 -10.251 -10.446 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.729 -9.051 -12.990 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.504 -10.280 -12.745 1.00 0.00 H new ATOM 0 HG SER A 89 -4.321 -11.092 -14.004 1.00 0.00 H new ATOM 1169 N VAL A 90 -3.263 -7.862 -10.141 1.00 0.00 N ATOM 1170 CA VAL A 90 -3.534 -6.480 -9.728 1.00 0.00 C ATOM 1171 C VAL A 90 -3.554 -5.591 -10.939 1.00 0.00 C ATOM 1172 O VAL A 90 -4.297 -4.632 -11.006 1.00 0.00 O ATOM 1173 CB VAL A 90 -2.416 -6.023 -8.784 1.00 0.00 C ATOM 1174 CG1 VAL A 90 -2.606 -4.540 -8.457 1.00 0.00 C ATOM 1175 CG2 VAL A 90 -2.488 -6.839 -7.495 1.00 0.00 C ATOM 0 H VAL A 90 -2.304 -8.180 -10.003 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.498 -6.425 -9.223 1.00 0.00 H new ATOM 0 HB VAL A 90 -1.446 -6.170 -9.260 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -1.813 -4.211 -7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.568 -3.957 -9.377 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.573 -4.395 -7.975 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.696 -6.520 -6.818 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.456 -6.683 -7.019 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.363 -7.897 -7.727 1.00 0.00 H new ATOM 1185 N VAL A 91 -2.734 -5.928 -11.885 1.00 0.00 N ATOM 1186 CA VAL A 91 -2.683 -5.122 -13.110 1.00 0.00 C ATOM 1187 C VAL A 91 -4.083 -4.958 -13.639 1.00 0.00 C ATOM 1188 O VAL A 91 -4.476 -3.897 -14.067 1.00 0.00 O ATOM 1189 CB VAL A 91 -1.833 -5.863 -14.161 1.00 0.00 C ATOM 1190 CG1 VAL A 91 -1.364 -4.875 -15.221 1.00 0.00 C ATOM 1191 CG2 VAL A 91 -0.604 -6.498 -13.496 1.00 0.00 C ATOM 0 H VAL A 91 -2.100 -6.727 -11.857 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.245 -4.146 -12.900 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.441 -6.644 -14.618 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.763 -5.398 -15.965 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.230 -4.424 -15.706 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.764 -4.096 -14.752 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.011 -7.019 -14.248 1.00 0.00 H new ATOM 0 HG22 VAL A 91 0.002 -5.719 -13.032 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -0.928 -7.208 -12.735 1.00 0.00 H new ATOM 1201 N GLU A 92 -4.815 -6.029 -13.586 1.00 0.00 N ATOM 1202 CA GLU A 92 -6.202 -5.988 -14.070 1.00 0.00 C ATOM 1203 C GLU A 92 -6.998 -5.056 -13.185 1.00 0.00 C ATOM 1204 O GLU A 92 -7.750 -4.226 -13.660 1.00 0.00 O ATOM 1205 CB GLU A 92 -6.790 -7.403 -13.970 1.00 0.00 C ATOM 1206 CG GLU A 92 -8.137 -7.448 -14.688 1.00 0.00 C ATOM 1207 CD GLU A 92 -8.059 -8.451 -15.842 1.00 0.00 C ATOM 1208 OE1 GLU A 92 -8.177 -9.629 -15.544 1.00 0.00 O ATOM 1209 OE2 GLU A 92 -7.886 -7.984 -16.956 1.00 0.00 O ATOM 0 H GLU A 92 -4.505 -6.931 -13.226 1.00 0.00 H new ATOM 0 HA GLU A 92 -6.238 -5.638 -15.102 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -6.105 -8.125 -14.414 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.914 -7.683 -12.924 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -8.924 -7.737 -13.992 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -8.394 -6.459 -15.067 1.00 0.00 H new ATOM 1216 N LEU A 93 -6.824 -5.216 -11.898 1.00 0.00 N ATOM 1217 CA LEU A 93 -7.561 -4.342 -10.955 1.00 0.00 C ATOM 1218 C LEU A 93 -7.065 -2.907 -11.092 1.00 0.00 C ATOM 1219 O LEU A 93 -7.763 -2.048 -11.602 1.00 0.00 O ATOM 1220 CB LEU A 93 -7.274 -4.839 -9.520 1.00 0.00 C ATOM 1221 CG LEU A 93 -7.890 -3.880 -8.484 1.00 0.00 C ATOM 1222 CD1 LEU A 93 -8.834 -4.660 -7.591 1.00 0.00 C ATOM 1223 CD2 LEU A 93 -6.773 -3.284 -7.619 1.00 0.00 C ATOM 0 H LEU A 93 -6.209 -5.908 -11.469 1.00 0.00 H new ATOM 0 HA LEU A 93 -8.629 -4.374 -11.169 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.684 -5.840 -9.387 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.198 -4.912 -9.362 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.429 -3.083 -8.996 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.275 -3.989 -6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -9.624 -5.104 -8.197 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.282 -5.449 -7.079 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -7.205 -2.605 -6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.244 -4.086 -7.104 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.075 -2.737 -8.253 1.00 0.00 H new ATOM 1235 N ILE A 94 -5.871 -2.677 -10.615 1.00 0.00 N ATOM 1236 CA ILE A 94 -5.286 -1.322 -10.694 1.00 0.00 C ATOM 1237 C ILE A 94 -5.611 -0.671 -12.030 1.00 0.00 C ATOM 1238 O ILE A 94 -5.764 0.524 -12.113 1.00 0.00 O ATOM 1239 CB ILE A 94 -3.751 -1.472 -10.516 1.00 0.00 C ATOM 1240 CG1 ILE A 94 -3.249 -0.617 -9.341 1.00 0.00 C ATOM 1241 CG2 ILE A 94 -2.989 -1.056 -11.811 1.00 0.00 C ATOM 1242 CD1 ILE A 94 -3.675 0.859 -9.488 1.00 0.00 C ATOM 0 H ILE A 94 -5.278 -3.379 -10.173 1.00 0.00 H new ATOM 0 HA ILE A 94 -5.701 -0.681 -9.916 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.553 -2.524 -10.309 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.640 -1.018 -8.406 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.162 -0.678 -9.284 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.916 -1.172 -11.655 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.306 -1.690 -12.639 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.211 -0.015 -12.045 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -3.302 1.432 -8.639 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.262 1.267 -10.410 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -4.763 0.922 -9.519 1.00 0.00 H new ATOM 1254 N ASN A 95 -5.704 -1.471 -13.059 1.00 0.00 N ATOM 1255 CA ASN A 95 -6.023 -0.895 -14.386 1.00 0.00 C ATOM 1256 C ASN A 95 -7.435 -0.328 -14.374 1.00 0.00 C ATOM 1257 O ASN A 95 -7.667 0.794 -14.796 1.00 0.00 O ATOM 1258 CB ASN A 95 -5.940 -2.006 -15.446 1.00 0.00 C ATOM 1259 CG ASN A 95 -6.605 -1.524 -16.737 1.00 0.00 C ATOM 1260 OD1 ASN A 95 -7.806 -1.341 -16.801 1.00 0.00 O ATOM 1261 ND2 ASN A 95 -5.861 -1.304 -17.788 1.00 0.00 N ATOM 0 H ASN A 95 -5.574 -2.482 -13.035 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.314 -0.100 -14.617 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.899 -2.267 -15.635 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.434 -2.908 -15.084 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.288 -0.981 -18.656 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.853 -1.456 -17.740 1.00 0.00 H new ATOM 1268 N HIS A 96 -8.355 -1.114 -13.874 1.00 0.00 N ATOM 1269 CA HIS A 96 -9.758 -0.648 -13.819 1.00 0.00 C ATOM 1270 C HIS A 96 -9.862 0.617 -12.982 1.00 0.00 C ATOM 1271 O HIS A 96 -10.820 1.357 -13.090 1.00 0.00 O ATOM 1272 CB HIS A 96 -10.606 -1.748 -13.160 1.00 0.00 C ATOM 1273 CG HIS A 96 -11.958 -1.844 -13.871 1.00 0.00 C ATOM 1274 ND1 HIS A 96 -13.061 -1.601 -13.340 1.00 0.00 N ATOM 1275 CD2 HIS A 96 -12.248 -2.206 -15.173 1.00 0.00 C ATOM 1276 CE1 HIS A 96 -14.018 -1.766 -14.155 1.00 0.00 C ATOM 1277 NE2 HIS A 96 -13.596 -2.156 -15.360 1.00 0.00 N ATOM 0 H HIS A 96 -8.189 -2.051 -13.506 1.00 0.00 H new ATOM 0 HA HIS A 96 -10.110 -0.435 -14.828 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -10.086 -2.704 -13.214 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -10.754 -1.524 -12.103 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -11.522 -2.484 -15.922 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -15.056 -1.609 -13.903 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -14.139 -2.362 -16.198 1.00 0.00 H new ATOM 1285 N TYR A 97 -8.869 0.843 -12.154 1.00 0.00 N ATOM 1286 CA TYR A 97 -8.896 2.055 -11.301 1.00 0.00 C ATOM 1287 C TYR A 97 -8.093 3.188 -11.928 1.00 0.00 C ATOM 1288 O TYR A 97 -8.481 4.337 -11.859 1.00 0.00 O ATOM 1289 CB TYR A 97 -8.271 1.710 -9.944 1.00 0.00 C ATOM 1290 CG TYR A 97 -9.376 1.317 -8.942 1.00 0.00 C ATOM 1291 CD1 TYR A 97 -10.430 2.178 -8.661 1.00 0.00 C ATOM 1292 CD2 TYR A 97 -9.337 0.090 -8.314 1.00 0.00 C ATOM 1293 CE1 TYR A 97 -11.417 1.808 -7.774 1.00 0.00 C ATOM 1294 CE2 TYR A 97 -10.328 -0.274 -7.425 1.00 0.00 C ATOM 1295 CZ TYR A 97 -11.374 0.582 -7.149 1.00 0.00 C ATOM 1296 OH TYR A 97 -12.363 0.214 -6.260 1.00 0.00 O ATOM 0 H TYR A 97 -8.053 0.243 -12.038 1.00 0.00 H new ATOM 0 HA TYR A 97 -9.931 2.380 -11.190 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.563 0.889 -10.058 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.711 2.564 -9.564 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -10.476 3.144 -9.141 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.525 -0.591 -8.519 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -12.232 2.486 -7.567 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.284 -1.238 -6.941 1.00 0.00 H new ATOM 0 HH TYR A 97 -12.175 -0.683 -5.914 1.00 0.00 H new ATOM 1306 N ARG A 98 -6.988 2.848 -12.528 1.00 0.00 N ATOM 1307 CA ARG A 98 -6.160 3.893 -13.157 1.00 0.00 C ATOM 1308 C ARG A 98 -7.011 4.744 -14.077 1.00 0.00 C ATOM 1309 O ARG A 98 -6.812 5.937 -14.187 1.00 0.00 O ATOM 1310 CB ARG A 98 -5.063 3.208 -13.977 1.00 0.00 C ATOM 1311 CG ARG A 98 -3.720 3.377 -13.260 1.00 0.00 C ATOM 1312 CD ARG A 98 -2.646 2.576 -14.002 1.00 0.00 C ATOM 1313 NE ARG A 98 -2.254 3.319 -15.234 1.00 0.00 N ATOM 1314 CZ ARG A 98 -1.934 2.653 -16.310 1.00 0.00 C ATOM 1315 NH1 ARG A 98 -2.848 1.935 -16.902 1.00 0.00 N ATOM 1316 NH2 ARG A 98 -0.712 2.733 -16.760 1.00 0.00 N ATOM 0 H ARG A 98 -6.630 1.896 -12.606 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.723 4.531 -12.389 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.292 2.150 -14.101 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.013 3.643 -14.975 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -3.444 4.431 -13.224 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -3.799 3.033 -12.229 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.778 2.425 -13.360 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.025 1.588 -14.262 1.00 0.00 H new ATOM 0 HE ARG A 98 -2.236 4.339 -15.236 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -3.794 1.901 -16.523 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -2.616 1.408 -17.744 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -0.026 3.309 -16.272 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -0.443 2.220 -17.599 1.00 0.00 H new ATOM 1330 N ASN A 99 -7.949 4.112 -14.725 1.00 0.00 N ATOM 1331 CA ASN A 99 -8.827 4.866 -15.644 1.00 0.00 C ATOM 1332 C ASN A 99 -9.899 5.618 -14.862 1.00 0.00 C ATOM 1333 O ASN A 99 -10.416 6.618 -15.319 1.00 0.00 O ATOM 1334 CB ASN A 99 -9.511 3.869 -16.582 1.00 0.00 C ATOM 1335 CG ASN A 99 -9.072 4.142 -18.021 1.00 0.00 C ATOM 1336 OD1 ASN A 99 -8.220 3.463 -18.561 1.00 0.00 O ATOM 1337 ND2 ASN A 99 -9.628 5.121 -18.678 1.00 0.00 N ATOM 0 H ASN A 99 -8.140 3.113 -14.655 1.00 0.00 H new ATOM 0 HA ASN A 99 -8.230 5.585 -16.205 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -9.252 2.849 -16.298 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.594 3.958 -16.498 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.348 5.314 -19.640 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.343 5.694 -18.230 1.00 0.00 H new ATOM 1344 N GLU A 100 -10.210 5.114 -13.687 1.00 0.00 N ATOM 1345 CA GLU A 100 -11.246 5.773 -12.844 1.00 0.00 C ATOM 1346 C GLU A 100 -10.637 6.460 -11.620 1.00 0.00 C ATOM 1347 O GLU A 100 -10.119 7.555 -11.711 1.00 0.00 O ATOM 1348 CB GLU A 100 -12.226 4.688 -12.367 1.00 0.00 C ATOM 1349 CG GLU A 100 -12.941 4.089 -13.582 1.00 0.00 C ATOM 1350 CD GLU A 100 -14.383 3.746 -13.203 1.00 0.00 C ATOM 1351 OE1 GLU A 100 -14.576 3.426 -12.042 1.00 0.00 O ATOM 1352 OE2 GLU A 100 -15.211 3.823 -14.096 1.00 0.00 O ATOM 0 H GLU A 100 -9.789 4.278 -13.283 1.00 0.00 H new ATOM 0 HA GLU A 100 -11.745 6.538 -13.439 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.690 3.909 -11.825 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -12.953 5.115 -11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.929 4.797 -14.411 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -12.419 3.194 -13.920 1.00 0.00 H new ATOM 1359 N SER A 101 -10.710 5.798 -10.498 1.00 0.00 N ATOM 1360 CA SER A 101 -10.149 6.382 -9.250 1.00 0.00 C ATOM 1361 C SER A 101 -10.569 5.542 -8.054 1.00 0.00 C ATOM 1362 O SER A 101 -11.611 4.919 -8.078 1.00 0.00 O ATOM 1363 CB SER A 101 -10.723 7.797 -9.078 1.00 0.00 C ATOM 1364 OG SER A 101 -9.689 8.651 -9.539 1.00 0.00 O ATOM 0 H SER A 101 -11.135 4.877 -10.393 1.00 0.00 H new ATOM 0 HA SER A 101 -9.061 6.408 -9.313 1.00 0.00 H new ATOM 0 HB2 SER A 101 -11.637 7.929 -9.658 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.974 8.001 -8.037 1.00 0.00 H new ATOM 0 HG SER A 101 -9.603 8.565 -10.511 1.00 0.00 H new ATOM 1370 N LEU A 102 -9.771 5.537 -7.024 1.00 0.00 N ATOM 1371 CA LEU A 102 -10.153 4.727 -5.845 1.00 0.00 C ATOM 1372 C LEU A 102 -11.225 5.434 -5.031 1.00 0.00 C ATOM 1373 O LEU A 102 -10.936 6.082 -4.042 1.00 0.00 O ATOM 1374 CB LEU A 102 -8.919 4.491 -4.952 1.00 0.00 C ATOM 1375 CG LEU A 102 -7.698 4.100 -5.815 1.00 0.00 C ATOM 1376 CD1 LEU A 102 -6.643 3.436 -4.924 1.00 0.00 C ATOM 1377 CD2 LEU A 102 -8.109 3.112 -6.912 1.00 0.00 C ATOM 0 H LEU A 102 -8.891 6.048 -6.950 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.545 3.773 -6.198 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.696 5.393 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.130 3.702 -4.230 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.294 5.001 -6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -5.779 3.158 -5.528 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.332 4.134 -4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -7.066 2.543 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.236 2.848 -7.510 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.522 2.212 -6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.862 3.572 -7.552 1.00 0.00 H new ATOM 1534 N LYS A 112 -7.263 9.753 -6.639 1.00 0.00 N ATOM 1535 CA LYS A 112 -6.905 9.435 -8.045 1.00 0.00 C ATOM 1536 C LYS A 112 -5.398 9.257 -8.161 1.00 0.00 C ATOM 1537 O LYS A 112 -4.660 10.222 -8.218 1.00 0.00 O ATOM 1538 CB LYS A 112 -7.348 10.617 -8.940 1.00 0.00 C ATOM 1539 CG LYS A 112 -8.114 11.638 -8.086 1.00 0.00 C ATOM 1540 CD LYS A 112 -8.584 12.792 -8.973 1.00 0.00 C ATOM 1541 CE LYS A 112 -9.048 13.948 -8.080 1.00 0.00 C ATOM 1542 NZ LYS A 112 -9.589 15.064 -8.905 1.00 0.00 N ATOM 0 HA LYS A 112 -7.400 8.515 -8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.478 11.088 -9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.980 10.257 -9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.969 11.160 -7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.473 12.015 -7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.774 13.121 -9.624 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.399 12.464 -9.618 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.813 13.596 -7.389 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.214 14.306 -7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.898 15.838 -8.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.849 15.411 -9.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.399 14.723 -9.462 1.00 0.00 H new ATOM 1556 N LEU A 113 -4.963 8.025 -8.186 1.00 0.00 N ATOM 1557 CA LEU A 113 -3.499 7.774 -8.296 1.00 0.00 C ATOM 1558 C LEU A 113 -3.044 7.678 -9.775 1.00 0.00 C ATOM 1559 O LEU A 113 -2.693 6.645 -10.278 1.00 0.00 O ATOM 1560 CB LEU A 113 -3.163 6.482 -7.444 1.00 0.00 C ATOM 1561 CG LEU A 113 -3.207 5.133 -8.239 1.00 0.00 C ATOM 1562 CD1 LEU A 113 -3.236 3.998 -7.227 1.00 0.00 C ATOM 1563 CD2 LEU A 113 -4.455 5.006 -9.141 1.00 0.00 C ATOM 0 H LEU A 113 -5.550 7.193 -8.136 1.00 0.00 H new ATOM 0 HA LEU A 113 -2.934 8.614 -7.891 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -2.169 6.599 -7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.867 6.420 -6.614 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.330 5.097 -8.886 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -3.267 3.043 -7.752 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.342 4.042 -6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.120 4.095 -6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.429 4.051 -9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.354 5.058 -8.527 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -4.463 5.819 -9.867 1.00 0.00 H new ATOM 1575 N LEU A 114 -3.072 8.815 -10.435 1.00 0.00 N ATOM 1576 CA LEU A 114 -2.659 8.866 -11.866 1.00 0.00 C ATOM 1577 C LEU A 114 -1.231 9.402 -12.010 1.00 0.00 C ATOM 1578 O LEU A 114 -0.926 10.132 -12.932 1.00 0.00 O ATOM 1579 CB LEU A 114 -3.623 9.836 -12.594 1.00 0.00 C ATOM 1580 CG LEU A 114 -4.934 9.119 -12.976 1.00 0.00 C ATOM 1581 CD1 LEU A 114 -4.694 8.181 -14.169 1.00 0.00 C ATOM 1582 CD2 LEU A 114 -5.464 8.312 -11.775 1.00 0.00 C ATOM 0 H LEU A 114 -3.364 9.708 -10.038 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.694 7.862 -12.289 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -3.843 10.688 -11.951 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.143 10.229 -13.490 1.00 0.00 H new ATOM 0 HG LEU A 114 -5.675 9.868 -13.256 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -5.626 7.680 -14.431 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -4.342 8.760 -15.022 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.944 7.437 -13.901 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -6.390 7.809 -12.055 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.723 7.569 -11.480 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.655 8.986 -10.940 1.00 0.00 H new ATOM 1594 N TYR A 115 -0.384 9.028 -11.106 1.00 0.00 N ATOM 1595 CA TYR A 115 1.016 9.510 -11.184 1.00 0.00 C ATOM 1596 C TYR A 115 1.967 8.474 -10.608 1.00 0.00 C ATOM 1597 O TYR A 115 2.516 8.654 -9.543 1.00 0.00 O ATOM 1598 CB TYR A 115 1.112 10.800 -10.360 1.00 0.00 C ATOM 1599 CG TYR A 115 -0.074 11.691 -10.729 1.00 0.00 C ATOM 1600 CD1 TYR A 115 -0.040 12.463 -11.873 1.00 0.00 C ATOM 1601 CD2 TYR A 115 -1.213 11.698 -9.951 1.00 0.00 C ATOM 1602 CE1 TYR A 115 -1.131 13.225 -12.237 1.00 0.00 C ATOM 1603 CE2 TYR A 115 -2.304 12.460 -10.315 1.00 0.00 C ATOM 1604 CZ TYR A 115 -2.271 13.231 -11.460 1.00 0.00 C ATOM 1605 OH TYR A 115 -3.359 13.999 -11.819 1.00 0.00 O ATOM 0 H TYR A 115 -0.595 8.413 -10.320 1.00 0.00 H new ATOM 0 HA TYR A 115 1.291 9.688 -12.224 1.00 0.00 H new ATOM 0 HB2 TYR A 115 1.099 10.572 -9.294 1.00 0.00 H new ATOM 0 HB3 TYR A 115 2.051 11.313 -10.565 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.848 12.470 -12.488 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -1.251 11.103 -9.051 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -1.092 13.821 -13.137 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -3.191 12.453 -9.699 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.074 13.882 -11.159 1.00 0.00 H new ATOM 1615 N PRO A 116 2.150 7.390 -11.343 1.00 0.00 N ATOM 1616 CA PRO A 116 3.030 6.320 -10.911 1.00 0.00 C ATOM 1617 C PRO A 116 4.478 6.700 -11.115 1.00 0.00 C ATOM 1618 O PRO A 116 4.823 7.306 -12.112 1.00 0.00 O ATOM 1619 CB PRO A 116 2.692 5.140 -11.834 1.00 0.00 C ATOM 1620 CG PRO A 116 1.797 5.698 -12.985 1.00 0.00 C ATOM 1621 CD PRO A 116 1.497 7.168 -12.647 1.00 0.00 C ATOM 0 HA PRO A 116 2.895 6.094 -9.853 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.601 4.693 -12.236 1.00 0.00 H new ATOM 0 HB3 PRO A 116 2.168 4.358 -11.284 1.00 0.00 H new ATOM 0 HG2 PRO A 116 2.309 5.619 -13.944 1.00 0.00 H new ATOM 0 HG3 PRO A 116 0.874 5.125 -13.068 1.00 0.00 H new ATOM 0 HD2 PRO A 116 1.894 7.839 -13.409 1.00 0.00 H new ATOM 0 HD3 PRO A 116 0.424 7.351 -12.589 1.00 0.00 H new ATOM 1629 N VAL A 117 5.300 6.338 -10.176 1.00 0.00 N ATOM 1630 CA VAL A 117 6.730 6.669 -10.301 1.00 0.00 C ATOM 1631 C VAL A 117 7.511 5.434 -10.705 1.00 0.00 C ATOM 1632 O VAL A 117 7.205 4.343 -10.277 1.00 0.00 O ATOM 1633 CB VAL A 117 7.234 7.151 -8.940 1.00 0.00 C ATOM 1634 CG1 VAL A 117 6.940 8.645 -8.798 1.00 0.00 C ATOM 1635 CG2 VAL A 117 6.509 6.387 -7.834 1.00 0.00 C ATOM 0 H VAL A 117 5.039 5.829 -9.332 1.00 0.00 H new ATOM 0 HA VAL A 117 6.865 7.442 -11.057 1.00 0.00 H new ATOM 0 HB VAL A 117 8.307 6.977 -8.861 1.00 0.00 H new ATOM 0 HG11 VAL A 117 7.297 8.996 -7.830 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.448 9.193 -9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 117 5.866 8.813 -8.871 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.866 6.728 -6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 117 5.437 6.567 -7.910 1.00 0.00 H new ATOM 0 HG23 VAL A 117 6.706 5.320 -7.939 1.00 0.00 H new ATOM 1645 N SER A 118 8.492 5.616 -11.536 1.00 0.00 N ATOM 1646 CA SER A 118 9.290 4.450 -11.968 1.00 0.00 C ATOM 1647 C SER A 118 10.497 4.877 -12.767 1.00 0.00 C ATOM 1648 O SER A 118 10.860 6.036 -12.784 1.00 0.00 O ATOM 1649 CB SER A 118 8.423 3.560 -12.850 1.00 0.00 C ATOM 1650 OG SER A 118 9.087 2.304 -12.836 1.00 0.00 O ATOM 0 H SER A 118 8.772 6.514 -11.930 1.00 0.00 H new ATOM 0 HA SER A 118 9.627 3.918 -11.078 1.00 0.00 H new ATOM 0 HB2 SER A 118 7.409 3.479 -12.459 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.344 3.958 -13.862 1.00 0.00 H new ATOM 0 HG SER A 118 8.439 1.594 -12.645 1.00 0.00 H new