USER MOD reduce.3.24.130724 H: found=0, std=0, add=1041, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1035 hydrogens (27 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 39 LYS NZ :NH3+ 166:sc= 1.34 (180deg=1.02) USER MOD Set 1.2: A 115 GLN : amide:sc= 0.057 K(o=1.4,f=0.29) USER MOD Set 2.1: A 11 TYR OH : rot 52:sc= 0.41 USER MOD Set 2.2: A 106 THR OG1 : rot 90:sc= 1.35 USER MOD Set 3.1: A 21 THR OG1 : rot -78:sc= -0.14 USER MOD Set 3.2: A 96 ASN : amide:sc= 1.08 K(o=2.4,f=-4.3) USER MOD Set 3.3: A 98 GLN : amide:sc= 1.46 K(o=2.4,f=-4.3!) USER MOD Set 4.1: A 84 ASN : amide:sc= 1.1 K(o=2.2,f=-2.2) USER MOD Set 4.2: A 87 LYS NZ :NH3+ 175:sc= 1.11 (180deg=0) USER MOD Set 5.1: A 42 CYS SG : rot -17:sc= -0.684 USER MOD Set 5.2: A 62 CYS SG : rot -140:sc= -0.0357 USER MOD Single : A 3 GLN : amide:sc= -1.03 K(o=-1,f=-0.0022) USER MOD Single : A 6 SER OG : rot -30:sc= 0.406 USER MOD Single : A 7 GLN : amide:sc= 0.677 K(o=0.68,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.745 K(o=-0.75,f=-2.9) USER MOD Single : A 14 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.23) USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 1.25 (180deg=1.23) USER MOD Single : A 17 GLN : amide:sc= -0.0611 K(o=-0.061,f=-0.59) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= 0.663 (180deg=0.662) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.15) USER MOD Single : A 41 THR OG1 : rot 171:sc= 0.0107 USER MOD Single : A 47 GLN : amide:sc= -0.216 K(o=-0.22,f=-2.4!) USER MOD Single : A 50 THR OG1 : rot 68:sc= 0.675 USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.2) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc=-0.00354 K(o=-0.0035,f=-0.89) USER MOD Single : A 69 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= 0.9 (180deg=0.837) USER MOD Single : A 78 THR OG1 : rot -104:sc= 0.0991 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -133:sc= 1.69 (180deg=0.148) USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= 0.73 (180deg=0.462) USER MOD Single : A 100 MET CE :methyl -149:sc= -0.037 (180deg=-0.25) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 111 LYS NZ :NH3+ -134:sc= 0.513 (180deg=-0.462) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.3!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -78:sc= 0.141 USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= -0.357 K(o=-0.27,f=-4.9!) USER MOD Single : A 122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.4!) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 HIS : no HE2:sc= 0.573 K(o=0.57,f=-2.8!) USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 0.419 0.983 0.939 1.00 25.00 C HETATM 2 O1 MYR A 1 -0.722 1.355 0.753 1.00 25.00 O HETATM 3 C2 MYR A 1 1.193 0.164 -0.082 1.00 25.00 C HETATM 4 C3 MYR A 1 0.737 -1.329 -0.126 1.00 25.00 C HETATM 5 C4 MYR A 1 0.948 -2.053 1.237 1.00 25.00 C HETATM 6 C5 MYR A 1 0.930 -3.607 1.093 1.00 25.00 C HETATM 7 C6 MYR A 1 1.148 -4.327 2.460 1.00 25.00 C HETATM 8 C7 MYR A 1 -0.155 -4.405 3.311 1.00 25.00 C HETATM 9 C8 MYR A 1 0.132 -4.811 4.781 1.00 25.00 C HETATM 10 C9 MYR A 1 -1.188 -4.918 5.589 1.00 25.00 C HETATM 11 C10 MYR A 1 -0.935 -5.176 7.100 1.00 25.00 C HETATM 12 C11 MYR A 1 -2.233 -5.028 7.952 1.00 25.00 C HETATM 13 C12 MYR A 1 -3.121 -6.305 7.955 1.00 25.00 C HETATM 14 C13 MYR A 1 -4.271 -6.241 9.006 1.00 25.00 C HETATM 15 C14 MYR A 1 -5.409 -5.264 8.612 1.00 25.00 C HETATM 0 H143 MYR A 1 -5.004 -4.257 8.507 1.00 25.00 H new HETATM 0 H142 MYR A 1 -5.848 -5.579 7.665 1.00 25.00 H new HETATM 0 H141 MYR A 1 -6.176 -5.268 9.386 1.00 25.00 H new HETATM 0 H132 MYR A 1 -4.688 -7.239 9.139 1.00 25.00 H new HETATM 0 H131 MYR A 1 -3.858 -5.938 9.968 1.00 25.00 H new HETATM 0 H122 MYR A 1 -3.550 -6.446 6.963 1.00 25.00 H new HETATM 0 H121 MYR A 1 -2.497 -7.175 8.159 1.00 25.00 H new HETATM 0 H112 MYR A 1 -1.959 -4.783 8.978 1.00 25.00 H new HETATM 0 H111 MYR A 1 -2.816 -4.190 7.569 1.00 25.00 H new HETATM 0 H102 MYR A 1 -0.529 -6.179 7.232 1.00 25.00 H new HETATM 0 H101 MYR A 1 -0.182 -4.477 7.464 1.00 25.00 H new HETATM 0 H92 MYR A 1 -1.760 -3.997 5.471 1.00 25.00 H new HETATM 0 H91 MYR A 1 -1.796 -5.726 5.182 1.00 25.00 H new HETATM 0 H82 MYR A 1 0.656 -5.766 4.804 1.00 25.00 H new HETATM 0 H81 MYR A 1 0.789 -4.075 5.245 1.00 25.00 H new HETATM 0 H72 MYR A 1 -0.657 -3.438 3.294 1.00 25.00 H new HETATM 0 H71 MYR A 1 -0.838 -5.127 2.863 1.00 25.00 H new HETATM 0 H62 MYR A 1 1.521 -5.335 2.280 1.00 25.00 H new HETATM 0 H61 MYR A 1 1.916 -3.800 3.026 1.00 25.00 H new HETATM 0 H52 MYR A 1 -0.023 -3.920 0.667 1.00 25.00 H new HETATM 0 H51 MYR A 1 1.708 -3.915 0.394 1.00 25.00 H new HETATM 0 H42 MYR A 1 1.900 -1.742 1.667 1.00 25.00 H new HETATM 0 H41 MYR A 1 0.168 -1.746 1.933 1.00 25.00 H new HETATM 0 H32 MYR A 1 -0.317 -1.377 -0.401 1.00 25.00 H new HETATM 0 H31 MYR A 1 1.293 -1.853 -0.903 1.00 25.00 H new HETATM 0 H22 MYR A 1 1.066 0.608 -1.069 1.00 25.00 H new HETATM 0 H21 MYR A 1 2.256 0.208 0.153 1.00 25.00 H new ATOM 43 N GLY A 2 1.101 1.288 2.062 1.00 25.00 N ATOM 44 CA GLY A 2 0.556 2.046 3.182 1.00 25.00 C ATOM 45 C GLY A 2 0.111 3.435 2.789 1.00 25.00 C ATOM 46 O GLY A 2 -0.920 3.915 3.252 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.291 1.504 3.604 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.310 2.119 3.966 1.00 25.00 H new ATOM 50 N GLN A 3 0.863 4.080 1.912 1.00 25.00 N ATOM 51 CA GLN A 3 0.496 5.411 1.431 1.00 25.00 C ATOM 52 C GLN A 3 -0.873 5.392 0.751 1.00 25.00 C ATOM 53 O GLN A 3 -1.657 6.315 0.931 1.00 25.00 O ATOM 54 CB GLN A 3 1.544 5.928 0.436 1.00 25.00 C ATOM 55 CG GLN A 3 2.734 6.675 1.081 1.00 25.00 C ATOM 56 CD GLN A 3 2.445 8.144 1.446 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.350 8.871 1.871 1.00 25.00 O ATOM 58 NE2 GLN A 3 1.224 8.587 1.264 1.00 25.00 N ATOM 0 H GLN A 3 1.728 3.710 1.518 1.00 25.00 H new ATOM 0 HA GLN A 3 0.453 6.074 2.295 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.929 5.084 -0.136 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.054 6.596 -0.272 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.035 6.142 1.983 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.581 6.644 0.395 1.00 25.00 H new ATOM 0 HE21 GLN A 3 0.501 7.960 0.912 1.00 25.00 H new ATOM 0 HE22 GLN A 3 0.997 9.559 1.475 1.00 25.00 H new ATOM 67 N GLU A 4 -1.155 4.343 -0.009 1.00 25.00 N ATOM 68 CA GLU A 4 -2.429 4.215 -0.711 1.00 25.00 C ATOM 69 C GLU A 4 -3.542 3.837 0.255 1.00 25.00 C ATOM 70 O GLU A 4 -4.645 4.353 0.204 1.00 25.00 O ATOM 71 CB GLU A 4 -2.304 3.132 -1.770 1.00 25.00 C ATOM 72 CG GLU A 4 -3.520 3.008 -2.626 1.00 25.00 C ATOM 73 CD GLU A 4 -3.755 4.266 -3.455 1.00 25.00 C ATOM 74 OE1 GLU A 4 -2.824 4.695 -4.170 1.00 25.00 O ATOM 75 OE2 GLU A 4 -4.825 4.896 -3.293 1.00 25.00 O ATOM 0 H GLU A 4 -0.515 3.562 -0.157 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.674 5.173 -1.170 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.442 3.348 -2.402 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -2.111 2.176 -1.283 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.413 2.150 -3.289 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.390 2.818 -1.997 1.00 25.00 H new ATOM 82 N LEU A 5 -3.226 2.957 1.183 1.00 25.00 N ATOM 83 CA LEU A 5 -4.183 2.577 2.221 1.00 25.00 C ATOM 84 C LEU A 5 -4.616 3.805 3.046 1.00 25.00 C ATOM 85 O LEU A 5 -5.782 3.927 3.403 1.00 25.00 O ATOM 86 CB LEU A 5 -3.580 1.486 3.111 1.00 25.00 C ATOM 87 CG LEU A 5 -3.438 0.108 2.432 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.604 -0.819 3.299 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.794 -0.545 2.160 1.00 25.00 C ATOM 0 H LEU A 5 -2.322 2.490 1.246 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.078 2.175 1.747 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.596 1.813 3.448 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.201 1.376 4.000 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.944 0.274 1.474 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.511 -1.789 2.810 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.613 -0.388 3.444 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.089 -0.946 4.267 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.642 -1.513 1.681 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.326 -0.685 3.101 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.382 0.097 1.503 1.00 25.00 H new ATOM 101 N SER A 6 -3.707 4.747 3.274 1.00 25.00 N ATOM 102 CA SER A 6 -4.051 6.016 3.936 1.00 25.00 C ATOM 103 C SER A 6 -4.777 7.008 3.020 1.00 25.00 C ATOM 104 O SER A 6 -5.204 8.072 3.476 1.00 25.00 O ATOM 105 CB SER A 6 -2.785 6.707 4.451 1.00 25.00 C ATOM 106 OG SER A 6 -3.114 7.780 5.322 1.00 25.00 O ATOM 0 H SER A 6 -2.725 4.663 3.013 1.00 25.00 H new ATOM 0 HA SER A 6 -4.723 5.745 4.750 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.159 5.985 4.976 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.202 7.081 3.610 1.00 25.00 H new ATOM 0 HG SER A 6 -3.977 8.162 5.059 1.00 25.00 H new ATOM 112 N GLN A 7 -4.882 6.687 1.743 1.00 25.00 N ATOM 113 CA GLN A 7 -5.550 7.543 0.763 1.00 25.00 C ATOM 114 C GLN A 7 -6.977 7.031 0.524 1.00 25.00 C ATOM 115 O GLN A 7 -7.865 7.789 0.135 1.00 25.00 O ATOM 116 CB GLN A 7 -4.734 7.532 -0.540 1.00 25.00 C ATOM 117 CG GLN A 7 -5.184 8.523 -1.600 1.00 25.00 C ATOM 118 CD GLN A 7 -4.150 8.682 -2.699 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.502 9.720 -2.804 1.00 25.00 O ATOM 120 NE2 GLN A 7 -3.969 7.666 -3.496 1.00 25.00 N ATOM 0 H GLN A 7 -4.507 5.824 1.349 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.614 8.567 1.131 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -3.691 7.735 -0.297 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -4.773 6.529 -0.965 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -6.126 8.188 -2.034 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -5.373 9.491 -1.136 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -4.526 6.820 -3.378 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -3.270 7.717 -4.237 1.00 25.00 H new ATOM 129 N HIS A 8 -7.203 5.750 0.784 1.00 25.00 N ATOM 130 CA HIS A 8 -8.522 5.153 0.568 1.00 25.00 C ATOM 131 C HIS A 8 -9.484 5.489 1.701 1.00 25.00 C ATOM 132 O HIS A 8 -9.428 4.891 2.767 1.00 25.00 O ATOM 133 CB HIS A 8 -8.422 3.634 0.439 1.00 25.00 C ATOM 134 CG HIS A 8 -9.726 2.981 0.092 1.00 25.00 C ATOM 135 ND1 HIS A 8 -9.980 1.639 0.216 1.00 25.00 N ATOM 136 CD2 HIS A 8 -10.885 3.513 -0.392 1.00 25.00 C ATOM 137 CE1 HIS A 8 -11.230 1.412 -0.171 1.00 25.00 C ATOM 138 NE2 HIS A 8 -11.833 2.523 -0.545 1.00 25.00 N ATOM 0 H HIS A 8 -6.498 5.105 1.142 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.908 5.574 -0.360 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.686 3.389 -0.327 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -8.055 3.220 1.378 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -11.038 4.557 -0.622 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -11.695 0.437 -0.178 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -12.792 2.628 -0.876 1.00 25.00 H new ATOM 146 N GLU A 9 -10.391 6.420 1.444 1.00 25.00 N ATOM 147 CA GLU A 9 -11.353 6.904 2.444 1.00 25.00 C ATOM 148 C GLU A 9 -12.034 5.828 3.317 1.00 25.00 C ATOM 149 O GLU A 9 -12.151 6.002 4.527 1.00 25.00 O ATOM 150 CB GLU A 9 -12.427 7.753 1.734 1.00 25.00 C ATOM 151 CG GLU A 9 -13.183 7.006 0.612 1.00 25.00 C ATOM 152 CD GLU A 9 -14.258 7.843 -0.052 1.00 25.00 C ATOM 153 OE1 GLU A 9 -14.172 9.083 -0.036 1.00 25.00 O ATOM 154 OE2 GLU A 9 -15.197 7.228 -0.616 1.00 25.00 O ATOM 0 H GLU A 9 -10.487 6.868 0.533 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.761 7.487 3.149 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.148 8.100 2.474 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -11.953 8.639 1.311 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -12.468 6.681 -0.144 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -13.638 6.107 1.027 1.00 25.00 H new ATOM 161 N ARG A 10 -12.476 4.723 2.730 1.00 25.00 N ATOM 162 CA ARG A 10 -13.206 3.699 3.489 1.00 25.00 C ATOM 163 C ARG A 10 -12.280 2.896 4.387 1.00 25.00 C ATOM 164 O ARG A 10 -12.631 2.573 5.518 1.00 25.00 O ATOM 165 CB ARG A 10 -13.958 2.776 2.527 1.00 25.00 C ATOM 166 CG ARG A 10 -15.129 3.484 1.826 1.00 25.00 C ATOM 167 CD ARG A 10 -15.310 3.032 0.381 1.00 25.00 C ATOM 168 NE ARG A 10 -15.496 4.186 -0.519 1.00 25.00 N ATOM 169 CZ ARG A 10 -15.696 4.116 -1.829 1.00 25.00 C ATOM 170 NH1 ARG A 10 -15.767 2.975 -2.471 1.00 25.00 N ATOM 171 NH2 ARG A 10 -15.827 5.221 -2.500 1.00 25.00 N ATOM 0 H ARG A 10 -12.347 4.508 1.741 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.923 4.205 4.135 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.265 2.397 1.776 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.336 1.914 3.077 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -16.048 3.293 2.380 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.962 4.561 1.847 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -14.439 2.458 0.065 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -16.172 2.369 0.310 1.00 25.00 H new ATOM 0 HE ARG A 10 -15.469 5.115 -0.099 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -15.667 2.097 -1.962 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -15.922 2.966 -3.479 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -15.775 6.119 -2.019 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -15.981 5.190 -3.508 1.00 25.00 H new ATOM 185 N TYR A 11 -11.080 2.612 3.909 1.00 25.00 N ATOM 186 CA TYR A 11 -10.110 1.900 4.729 1.00 25.00 C ATOM 187 C TYR A 11 -9.627 2.820 5.845 1.00 25.00 C ATOM 188 O TYR A 11 -9.464 2.401 6.991 1.00 25.00 O ATOM 189 CB TYR A 11 -8.930 1.432 3.889 1.00 25.00 C ATOM 190 CG TYR A 11 -8.013 0.526 4.669 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.455 -0.735 5.109 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.707 0.930 4.994 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.610 -1.571 5.871 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.853 0.083 5.746 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.318 -1.151 6.188 1.00 25.00 C ATOM 196 OH TYR A 11 -5.490 -1.945 6.941 1.00 25.00 O ATOM 0 H TYR A 11 -10.756 2.858 2.974 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.588 1.020 5.159 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.297 0.906 3.008 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.370 2.297 3.534 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.452 -1.067 4.861 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.350 1.896 4.668 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.963 -2.534 6.208 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.845 0.395 5.975 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.449 -2.841 6.547 1.00 25.00 H new ATOM 206 N VAL A 12 -9.452 4.092 5.517 1.00 25.00 N ATOM 207 CA VAL A 12 -9.077 5.101 6.507 1.00 25.00 C ATOM 208 C VAL A 12 -10.121 5.153 7.626 1.00 25.00 C ATOM 209 O VAL A 12 -9.753 5.210 8.791 1.00 25.00 O ATOM 210 CB VAL A 12 -8.903 6.506 5.841 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.747 7.621 6.884 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.669 6.508 4.943 1.00 25.00 C ATOM 0 H VAL A 12 -9.563 4.454 4.570 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.117 4.820 6.939 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.804 6.698 5.258 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.629 8.579 6.378 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.633 7.653 7.518 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.868 7.424 7.498 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.555 7.490 4.483 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.785 6.282 5.539 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.784 5.754 4.164 1.00 25.00 H new ATOM 222 N GLU A 13 -11.407 5.081 7.299 1.00 25.00 N ATOM 223 CA GLU A 13 -12.455 5.090 8.333 1.00 25.00 C ATOM 224 C GLU A 13 -12.301 3.913 9.301 1.00 25.00 C ATOM 225 O GLU A 13 -12.332 4.098 10.524 1.00 25.00 O ATOM 226 CB GLU A 13 -13.854 5.047 7.701 1.00 25.00 C ATOM 227 CG GLU A 13 -14.307 6.374 7.097 1.00 25.00 C ATOM 228 CD GLU A 13 -14.929 7.302 8.131 1.00 25.00 C ATOM 229 OE1 GLU A 13 -14.219 7.687 9.088 1.00 25.00 O ATOM 230 OE2 GLU A 13 -16.096 7.695 7.971 1.00 25.00 O ATOM 0 H GLU A 13 -11.753 5.016 6.342 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.341 6.019 8.891 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -13.866 4.283 6.923 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.574 4.741 8.460 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -13.453 6.870 6.635 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.030 6.181 6.305 1.00 25.00 H new ATOM 237 N GLN A 14 -12.074 2.717 8.773 1.00 25.00 N ATOM 238 CA GLN A 14 -11.851 1.548 9.629 1.00 25.00 C ATOM 239 C GLN A 14 -10.609 1.755 10.484 1.00 25.00 C ATOM 240 O GLN A 14 -10.592 1.432 11.676 1.00 25.00 O ATOM 241 CB GLN A 14 -11.673 0.275 8.792 1.00 25.00 C ATOM 242 CG GLN A 14 -12.966 -0.241 8.180 1.00 25.00 C ATOM 243 CD GLN A 14 -14.015 -0.559 9.227 1.00 25.00 C ATOM 244 OE1 GLN A 14 -15.089 0.010 9.230 1.00 25.00 O ATOM 245 NE2 GLN A 14 -13.703 -1.459 10.127 1.00 25.00 N ATOM 0 H GLN A 14 -12.039 2.527 7.771 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.727 1.432 10.267 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -10.957 0.473 7.994 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.242 -0.505 9.420 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.360 0.504 7.489 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -12.756 -1.137 7.596 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -12.792 -1.918 10.095 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -14.371 -1.701 10.859 1.00 25.00 H new ATOM 254 N LEU A 15 -9.566 2.310 9.891 1.00 25.00 N ATOM 255 CA LEU A 15 -8.326 2.539 10.617 1.00 25.00 C ATOM 256 C LEU A 15 -8.437 3.623 11.678 1.00 25.00 C ATOM 257 O LEU A 15 -7.683 3.596 12.642 1.00 25.00 O ATOM 258 CB LEU A 15 -7.197 2.904 9.663 1.00 25.00 C ATOM 259 CG LEU A 15 -6.485 1.771 8.916 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.340 2.409 8.153 1.00 25.00 C ATOM 261 CD2 LEU A 15 -5.932 0.682 9.853 1.00 25.00 C ATOM 0 H LEU A 15 -9.551 2.609 8.916 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.109 1.598 11.123 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.599 3.592 8.919 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.445 3.452 10.231 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.201 1.272 8.263 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.798 1.641 7.601 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.735 3.147 7.455 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -4.663 2.898 8.854 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.440 -0.091 9.262 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.213 1.125 10.542 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -6.751 0.239 10.419 1.00 25.00 H new ATOM 273 N LYS A 16 -9.381 4.551 11.556 1.00 25.00 N ATOM 274 CA LYS A 16 -9.561 5.568 12.603 1.00 25.00 C ATOM 275 C LYS A 16 -9.937 4.836 13.870 1.00 25.00 C ATOM 276 O LYS A 16 -9.458 5.161 14.955 1.00 25.00 O ATOM 277 CB LYS A 16 -10.670 6.570 12.260 1.00 25.00 C ATOM 278 CG LYS A 16 -10.327 7.559 11.156 1.00 25.00 C ATOM 279 CD LYS A 16 -11.539 8.416 10.838 1.00 25.00 C ATOM 280 CE LYS A 16 -11.346 9.211 9.548 1.00 25.00 C ATOM 281 NZ LYS A 16 -12.613 9.930 9.166 1.00 25.00 N ATOM 0 H LYS A 16 -10.022 4.626 10.766 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.637 6.136 12.708 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.561 6.015 11.966 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -10.925 7.129 13.161 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.495 8.191 11.467 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.004 7.024 10.263 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.420 7.781 10.746 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -11.726 9.102 11.664 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -10.539 9.932 9.678 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -11.047 8.539 8.743 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -12.435 10.530 8.335 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -13.352 9.234 8.939 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -12.928 10.523 9.960 1.00 25.00 H new ATOM 295 N GLN A 17 -10.766 3.815 13.727 1.00 25.00 N ATOM 296 CA GLN A 17 -11.159 3.018 14.873 1.00 25.00 C ATOM 297 C GLN A 17 -10.029 2.081 15.277 1.00 25.00 C ATOM 298 O GLN A 17 -9.752 1.928 16.450 1.00 25.00 O ATOM 299 CB GLN A 17 -12.428 2.209 14.578 1.00 25.00 C ATOM 300 CG GLN A 17 -13.605 3.037 14.036 1.00 25.00 C ATOM 301 CD GLN A 17 -13.991 4.220 14.919 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.791 4.221 16.133 1.00 25.00 O ATOM 303 NE2 GLN A 17 -14.542 5.233 14.305 1.00 25.00 N ATOM 0 H GLN A 17 -11.175 3.522 12.839 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.372 3.699 15.697 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.186 1.430 13.855 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.744 1.708 15.493 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.349 3.406 13.043 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.471 2.386 13.920 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -14.693 5.198 13.297 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -14.821 6.059 14.834 1.00 25.00 H new ATOM 312 N ALA A 18 -9.366 1.449 14.322 1.00 25.00 N ATOM 313 CA ALA A 18 -8.318 0.486 14.657 1.00 25.00 C ATOM 314 C ALA A 18 -7.111 1.123 15.380 1.00 25.00 C ATOM 315 O ALA A 18 -6.630 0.576 16.369 1.00 25.00 O ATOM 316 CB ALA A 18 -7.858 -0.249 13.394 1.00 25.00 C ATOM 0 H ALA A 18 -9.527 1.579 13.323 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.756 -0.223 15.359 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.077 -0.964 13.653 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -8.703 -0.778 12.953 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.466 0.472 12.676 1.00 25.00 H new ATOM 322 N LEU A 19 -6.644 2.278 14.918 1.00 25.00 N ATOM 323 CA LEU A 19 -5.521 2.966 15.575 1.00 25.00 C ATOM 324 C LEU A 19 -5.940 3.333 17.008 1.00 25.00 C ATOM 325 O LEU A 19 -5.163 3.207 17.952 1.00 25.00 O ATOM 326 CB LEU A 19 -5.117 4.249 14.808 1.00 25.00 C ATOM 327 CG LEU A 19 -3.978 4.175 13.754 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.336 3.419 12.483 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.553 5.590 13.341 1.00 25.00 C ATOM 0 H LEU A 19 -7.016 2.760 14.100 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.659 2.299 15.586 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.007 4.623 14.303 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -4.832 4.997 15.548 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.176 3.626 14.248 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.481 3.419 11.807 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.601 2.392 12.733 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.183 3.904 11.998 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.754 5.529 12.602 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.406 6.115 12.911 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.197 6.133 14.216 1.00 25.00 H new ATOM 341 N LYS A 20 -7.187 3.763 17.160 1.00 25.00 N ATOM 342 CA LYS A 20 -7.737 4.165 18.463 1.00 25.00 C ATOM 343 C LYS A 20 -7.941 2.995 19.425 1.00 25.00 C ATOM 344 O LYS A 20 -7.591 3.093 20.596 1.00 25.00 O ATOM 345 CB LYS A 20 -9.084 4.858 18.214 1.00 25.00 C ATOM 346 CG LYS A 20 -9.831 5.326 19.454 1.00 25.00 C ATOM 347 CD LYS A 20 -11.226 5.795 19.051 1.00 25.00 C ATOM 348 CE LYS A 20 -12.051 6.211 20.259 1.00 25.00 C ATOM 349 NZ LYS A 20 -13.465 6.525 19.846 1.00 25.00 N ATOM 0 H LYS A 20 -7.850 3.845 16.389 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.016 4.830 18.937 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -8.913 5.720 17.570 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.727 4.171 17.664 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -9.902 4.515 20.178 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -9.287 6.138 19.937 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.142 6.635 18.361 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.739 4.994 18.518 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -12.051 5.412 21.000 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -11.601 7.084 20.732 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -14.016 6.807 20.682 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -13.460 7.302 19.155 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -13.896 5.682 19.416 1.00 25.00 H new ATOM 363 N THR A 21 -8.516 1.904 18.944 1.00 25.00 N ATOM 364 CA THR A 21 -8.824 0.738 19.786 1.00 25.00 C ATOM 365 C THR A 21 -7.559 0.062 20.279 1.00 25.00 C ATOM 366 O THR A 21 -7.564 -0.607 21.304 1.00 25.00 O ATOM 367 CB THR A 21 -9.637 -0.323 19.014 1.00 25.00 C ATOM 368 OG1 THR A 21 -9.021 -0.562 17.748 1.00 25.00 O ATOM 369 CG2 THR A 21 -11.054 0.137 18.752 1.00 25.00 C ATOM 0 H THR A 21 -8.785 1.793 17.966 1.00 25.00 H new ATOM 0 HA THR A 21 -9.404 1.120 20.626 1.00 25.00 H new ATOM 0 HB THR A 21 -9.660 -1.225 19.626 1.00 25.00 H new ATOM 0 HG1 THR A 21 -9.254 0.161 17.129 1.00 25.00 H new ATOM 0 HG21 THR A 21 -11.593 -0.638 18.207 1.00 25.00 H new ATOM 0 HG22 THR A 21 -11.556 0.329 19.701 1.00 25.00 H new ATOM 0 HG23 THR A 21 -11.036 1.052 18.160 1.00 25.00 H new ATOM 377 N ARG A 22 -6.461 0.281 19.572 1.00 25.00 N ATOM 378 CA ARG A 22 -5.169 -0.263 19.972 1.00 25.00 C ATOM 379 C ARG A 22 -4.680 0.414 21.256 1.00 25.00 C ATOM 380 O ARG A 22 -3.819 -0.113 21.955 1.00 25.00 O ATOM 381 CB ARG A 22 -4.174 -0.072 18.820 1.00 25.00 C ATOM 382 CG ARG A 22 -2.854 -0.813 18.971 1.00 25.00 C ATOM 383 CD ARG A 22 -3.050 -2.315 19.032 1.00 25.00 C ATOM 384 NE ARG A 22 -2.823 -2.821 20.395 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.844 -4.102 20.743 1.00 25.00 C ATOM 386 NH1 ARG A 22 -3.133 -5.048 19.890 1.00 25.00 N ATOM 387 NH2 ARG A 22 -2.558 -4.439 21.964 1.00 25.00 N ATOM 0 H ARG A 22 -6.437 0.834 18.715 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.261 -1.328 20.184 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.649 -0.395 17.894 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.964 0.993 18.716 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.202 -0.566 18.133 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.351 -0.476 19.877 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -4.060 -2.567 18.710 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.364 -2.803 18.340 1.00 25.00 H new ATOM 0 HE ARG A 22 -2.635 -2.136 21.127 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -3.352 -4.812 18.922 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -3.140 -6.022 20.192 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -2.319 -3.721 22.649 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -2.572 -5.421 22.239 1.00 25.00 H new ATOM 401 N GLY A 23 -5.243 1.577 21.559 1.00 25.00 N ATOM 402 CA GLY A 23 -4.934 2.283 22.794 1.00 25.00 C ATOM 403 C GLY A 23 -3.606 3.008 22.756 1.00 25.00 C ATOM 404 O GLY A 23 -3.170 3.599 23.754 1.00 25.00 O ATOM 0 H GLY A 23 -5.920 2.053 20.962 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.726 3.002 23.001 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.927 1.571 23.619 1.00 25.00 H new ATOM 408 N VAL A 24 -2.961 2.978 21.602 1.00 25.00 N ATOM 409 CA VAL A 24 -1.639 3.569 21.440 1.00 25.00 C ATOM 410 C VAL A 24 -1.814 4.830 20.614 1.00 25.00 C ATOM 411 O VAL A 24 -2.726 4.936 19.799 1.00 25.00 O ATOM 412 CB VAL A 24 -0.636 2.551 20.807 1.00 25.00 C ATOM 413 CG1 VAL A 24 -0.952 2.297 19.340 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.816 3.030 20.968 1.00 25.00 C ATOM 0 H VAL A 24 -3.333 2.547 20.756 1.00 25.00 H new ATOM 0 HA VAL A 24 -1.201 3.829 22.404 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.749 1.609 21.344 1.00 25.00 H new ATOM 0 HG11 VAL A 24 -0.235 1.585 18.931 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -1.959 1.890 19.250 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -0.888 3.234 18.787 1.00 25.00 H new ATOM 0 HG21 VAL A 24 1.491 2.302 20.518 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.938 3.993 20.472 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.049 3.135 22.028 1.00 25.00 H new ATOM 424 N LYS A 25 -1.010 5.834 20.911 1.00 25.00 N ATOM 425 CA LYS A 25 -1.206 7.156 20.340 1.00 25.00 C ATOM 426 C LYS A 25 -0.274 7.298 19.146 1.00 25.00 C ATOM 427 O LYS A 25 0.831 7.810 19.261 1.00 25.00 O ATOM 428 CB LYS A 25 -0.960 8.238 21.409 1.00 25.00 C ATOM 429 CG LYS A 25 -2.072 8.320 22.509 1.00 25.00 C ATOM 430 CD LYS A 25 -1.969 7.214 23.598 1.00 25.00 C ATOM 431 CE LYS A 25 -3.152 7.241 24.560 1.00 25.00 C ATOM 432 NZ LYS A 25 -3.118 6.039 25.479 1.00 25.00 N ATOM 0 H LYS A 25 -0.214 5.760 21.545 1.00 25.00 H new ATOM 0 HA LYS A 25 -2.233 7.285 19.998 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.002 8.045 21.891 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -0.880 9.207 20.917 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -2.020 9.296 22.991 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -3.049 8.253 22.029 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -1.916 6.237 23.117 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -1.044 7.344 24.159 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -3.127 8.157 25.150 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -4.085 7.249 23.997 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -3.949 6.056 26.104 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -3.130 5.168 24.911 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -2.252 6.066 26.054 1.00 25.00 H new ATOM 446 N VAL A 26 -0.737 6.807 18.008 1.00 25.00 N ATOM 447 CA VAL A 26 0.024 6.843 16.759 1.00 25.00 C ATOM 448 C VAL A 26 -0.782 7.616 15.728 1.00 25.00 C ATOM 449 O VAL A 26 -1.992 7.787 15.865 1.00 25.00 O ATOM 450 CB VAL A 26 0.337 5.404 16.217 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.339 4.702 17.137 1.00 25.00 C ATOM 452 CG2 VAL A 26 -0.944 4.566 16.099 1.00 25.00 C ATOM 0 H VAL A 26 -1.654 6.370 17.919 1.00 25.00 H new ATOM 0 HA VAL A 26 0.980 7.330 16.950 1.00 25.00 H new ATOM 0 HB VAL A 26 0.771 5.504 15.222 1.00 25.00 H new ATOM 0 HG11 VAL A 26 1.549 3.704 16.752 1.00 25.00 H new ATOM 0 HG12 VAL A 26 2.263 5.278 17.176 1.00 25.00 H new ATOM 0 HG13 VAL A 26 0.919 4.623 18.140 1.00 25.00 H new ATOM 0 HG21 VAL A 26 -0.696 3.574 15.721 1.00 25.00 H new ATOM 0 HG22 VAL A 26 -1.411 4.475 17.080 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -1.636 5.054 15.412 1.00 25.00 H new ATOM 462 N LYS A 27 -0.098 8.103 14.707 1.00 25.00 N ATOM 463 CA LYS A 27 -0.723 8.882 13.642 1.00 25.00 C ATOM 464 C LYS A 27 -0.831 7.995 12.425 1.00 25.00 C ATOM 465 O LYS A 27 -0.072 7.049 12.295 1.00 25.00 O ATOM 466 CB LYS A 27 0.181 10.065 13.327 1.00 25.00 C ATOM 467 CG LYS A 27 -0.518 11.405 13.171 1.00 25.00 C ATOM 468 CD LYS A 27 0.510 12.544 12.991 1.00 25.00 C ATOM 469 CE LYS A 27 1.384 12.758 14.251 1.00 25.00 C ATOM 470 NZ LYS A 27 2.398 13.848 14.054 1.00 25.00 N ATOM 0 H LYS A 27 0.907 7.972 14.589 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.710 9.239 13.936 1.00 25.00 H new ATOM 0 HB2 LYS A 27 0.923 10.153 14.121 1.00 25.00 H new ATOM 0 HB3 LYS A 27 0.723 9.849 12.406 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -1.186 11.373 12.311 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -1.136 11.602 14.047 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.153 12.318 12.141 1.00 25.00 H new ATOM 0 HD3 LYS A 27 -0.015 13.470 12.756 1.00 25.00 H new ATOM 0 HE2 LYS A 27 0.744 13.007 15.098 1.00 25.00 H new ATOM 0 HE3 LYS A 27 1.895 11.828 14.500 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 2.962 13.959 14.921 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 3.025 13.600 13.262 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 1.910 14.742 13.842 1.00 25.00 H new ATOM 484 N PHE A 28 -1.706 8.343 11.495 1.00 25.00 N ATOM 485 CA PHE A 28 -1.799 7.605 10.236 1.00 25.00 C ATOM 486 C PHE A 28 -0.482 7.676 9.484 1.00 25.00 C ATOM 487 O PHE A 28 -0.035 6.692 8.917 1.00 25.00 O ATOM 488 CB PHE A 28 -2.899 8.195 9.355 1.00 25.00 C ATOM 489 CG PHE A 28 -4.250 7.616 9.620 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.985 7.984 10.764 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.799 6.686 8.723 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.254 7.414 11.014 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.056 6.116 8.963 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.784 6.474 10.111 1.00 25.00 C ATOM 0 H PHE A 28 -2.358 9.123 11.582 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.033 6.566 10.470 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -2.938 9.273 9.510 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.642 8.032 8.308 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.576 8.707 11.455 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.246 6.407 7.838 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.814 7.698 11.893 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.466 5.401 8.265 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.749 6.028 10.300 1.00 25.00 H new ATOM 504 N ALA A 29 0.144 8.844 9.505 1.00 25.00 N ATOM 505 CA ALA A 29 1.401 9.045 8.793 1.00 25.00 C ATOM 506 C ALA A 29 2.477 8.096 9.317 1.00 25.00 C ATOM 507 O ALA A 29 3.288 7.588 8.555 1.00 25.00 O ATOM 508 CB ALA A 29 1.856 10.503 8.944 1.00 25.00 C ATOM 0 H ALA A 29 -0.195 9.666 10.005 1.00 25.00 H new ATOM 0 HA ALA A 29 1.243 8.828 7.737 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.795 10.648 8.410 1.00 25.00 H new ATOM 0 HB2 ALA A 29 1.097 11.166 8.529 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.999 10.732 10.000 1.00 25.00 H new ATOM 514 N ASP A 30 2.475 7.877 10.622 1.00 25.00 N ATOM 515 CA ASP A 30 3.462 7.014 11.249 1.00 25.00 C ATOM 516 C ASP A 30 3.103 5.548 11.044 1.00 25.00 C ATOM 517 O ASP A 30 3.948 4.758 10.684 1.00 25.00 O ATOM 518 CB ASP A 30 3.551 7.321 12.747 1.00 25.00 C ATOM 519 CG ASP A 30 4.055 8.730 13.020 1.00 25.00 C ATOM 520 OD1 ASP A 30 5.279 8.935 13.062 1.00 25.00 O ATOM 521 OD2 ASP A 30 3.211 9.646 13.169 1.00 25.00 O ATOM 0 H ASP A 30 1.800 8.286 11.268 1.00 25.00 H new ATOM 0 HA ASP A 30 4.429 7.204 10.784 1.00 25.00 H new ATOM 0 HB2 ASP A 30 2.568 7.195 13.200 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.216 6.601 13.224 1.00 25.00 H new ATOM 526 N LEU A 31 1.849 5.183 11.278 1.00 25.00 N ATOM 527 CA LEU A 31 1.440 3.777 11.211 1.00 25.00 C ATOM 528 C LEU A 31 1.548 3.211 9.796 1.00 25.00 C ATOM 529 O LEU A 31 2.195 2.188 9.570 1.00 25.00 O ATOM 530 CB LEU A 31 0.003 3.631 11.749 1.00 25.00 C ATOM 531 CG LEU A 31 -0.615 2.224 11.932 1.00 25.00 C ATOM 532 CD1 LEU A 31 -1.373 1.795 10.688 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.403 1.148 12.289 1.00 25.00 C ATOM 0 H LEU A 31 1.099 5.832 11.515 1.00 25.00 H new ATOM 0 HA LEU A 31 2.122 3.198 11.833 1.00 25.00 H new ATOM 0 HB2 LEU A 31 -0.033 4.129 12.718 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.652 4.188 11.079 1.00 25.00 H new ATOM 0 HG LEU A 31 -1.298 2.320 12.776 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -1.797 0.803 10.844 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -2.175 2.505 10.488 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -0.692 1.769 9.838 1.00 25.00 H new ATOM 0 HD21 LEU A 31 -0.104 0.190 12.401 1.00 25.00 H new ATOM 0 HD22 LEU A 31 1.147 1.074 11.496 1.00 25.00 H new ATOM 0 HD23 LEU A 31 0.895 1.409 13.226 1.00 25.00 H new ATOM 545 N LEU A 32 0.928 3.873 8.834 1.00 25.00 N ATOM 546 CA LEU A 32 0.963 3.390 7.447 1.00 25.00 C ATOM 547 C LEU A 32 2.358 3.426 6.838 1.00 25.00 C ATOM 548 O LEU A 32 2.632 2.713 5.884 1.00 25.00 O ATOM 549 CB LEU A 32 -0.004 4.154 6.541 1.00 25.00 C ATOM 550 CG LEU A 32 -1.495 3.772 6.603 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.750 2.265 6.535 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.126 4.346 7.837 1.00 25.00 C ATOM 0 H LEU A 32 0.400 4.734 8.975 1.00 25.00 H new ATOM 0 HA LEU A 32 0.645 2.349 7.506 1.00 25.00 H new ATOM 0 HB2 LEU A 32 0.081 5.214 6.778 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.332 4.030 5.511 1.00 25.00 H new ATOM 0 HG LEU A 32 -1.955 4.200 5.712 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.822 2.075 6.584 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.354 1.871 5.599 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.256 1.774 7.373 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.180 4.069 7.869 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.621 3.954 8.720 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.037 5.432 7.820 1.00 25.00 H new ATOM 564 N LYS A 33 3.264 4.212 7.393 1.00 25.00 N ATOM 565 CA LYS A 33 4.650 4.180 6.913 1.00 25.00 C ATOM 566 C LYS A 33 5.226 2.769 7.070 1.00 25.00 C ATOM 567 O LYS A 33 5.942 2.276 6.211 1.00 25.00 O ATOM 568 CB LYS A 33 5.506 5.203 7.670 1.00 25.00 C ATOM 569 CG LYS A 33 7.014 5.157 7.367 1.00 25.00 C ATOM 570 CD LYS A 33 7.372 5.173 5.847 1.00 25.00 C ATOM 571 CE LYS A 33 6.805 6.374 5.080 1.00 25.00 C ATOM 572 NZ LYS A 33 6.579 5.990 3.641 1.00 25.00 N ATOM 0 H LYS A 33 3.082 4.865 8.155 1.00 25.00 H new ATOM 0 HA LYS A 33 4.662 4.446 5.856 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.137 6.202 7.439 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.363 5.050 8.740 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.494 6.009 7.849 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.434 4.257 7.816 1.00 25.00 H new ATOM 0 HD2 LYS A 33 8.457 5.168 5.741 1.00 25.00 H new ATOM 0 HD3 LYS A 33 7.002 4.256 5.388 1.00 25.00 H new ATOM 0 HE2 LYS A 33 5.868 6.698 5.532 1.00 25.00 H new ATOM 0 HE3 LYS A 33 7.495 7.215 5.139 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 6.374 6.843 3.082 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 7.432 5.527 3.267 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 5.774 5.334 3.579 1.00 25.00 H new ATOM 586 N PHE A 34 4.871 2.088 8.139 1.00 25.00 N ATOM 587 CA PHE A 34 5.347 0.726 8.343 1.00 25.00 C ATOM 588 C PHE A 34 4.641 -0.258 7.409 1.00 25.00 C ATOM 589 O PHE A 34 5.199 -1.289 7.054 1.00 25.00 O ATOM 590 CB PHE A 34 5.234 0.361 9.816 1.00 25.00 C ATOM 591 CG PHE A 34 6.225 1.112 10.663 1.00 25.00 C ATOM 592 CD1 PHE A 34 7.508 0.594 10.905 1.00 25.00 C ATOM 593 CD2 PHE A 34 5.900 2.374 11.170 1.00 25.00 C ATOM 594 CE1 PHE A 34 8.454 1.336 11.662 1.00 25.00 C ATOM 595 CE2 PHE A 34 6.829 3.122 11.922 1.00 25.00 C ATOM 596 CZ PHE A 34 8.106 2.600 12.175 1.00 25.00 C ATOM 0 H PHE A 34 4.262 2.445 8.875 1.00 25.00 H new ATOM 0 HA PHE A 34 6.402 0.663 8.077 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.224 0.575 10.165 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.393 -0.711 9.937 1.00 25.00 H new ATOM 0 HD1 PHE A 34 7.777 -0.376 10.513 1.00 25.00 H new ATOM 0 HD2 PHE A 34 4.919 2.784 10.982 1.00 25.00 H new ATOM 0 HE1 PHE A 34 9.439 0.931 11.844 1.00 25.00 H new ATOM 0 HE2 PHE A 34 6.558 4.096 12.303 1.00 25.00 H new ATOM 0 HZ PHE A 34 8.818 3.164 12.760 1.00 25.00 H new ATOM 606 N PHE A 35 3.450 0.096 6.946 1.00 25.00 N ATOM 607 CA PHE A 35 2.750 -0.711 5.940 1.00 25.00 C ATOM 608 C PHE A 35 3.464 -0.562 4.579 1.00 25.00 C ATOM 609 O PHE A 35 3.444 -1.474 3.764 1.00 25.00 O ATOM 610 CB PHE A 35 1.282 -0.284 5.792 1.00 25.00 C ATOM 611 CG PHE A 35 0.368 -0.753 6.910 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.734 -0.675 8.275 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.905 -1.251 6.585 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.157 -1.103 9.285 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.807 -1.656 7.590 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.431 -1.588 8.941 1.00 25.00 C ATOM 0 H PHE A 35 2.946 0.931 7.245 1.00 25.00 H new ATOM 0 HA PHE A 35 2.768 -1.750 6.268 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.238 0.804 5.738 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.901 -0.666 4.845 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.703 -0.285 8.547 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.197 -1.325 5.548 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.141 -1.057 10.322 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.788 -2.019 7.320 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.117 -1.907 9.712 1.00 25.00 H new ATOM 626 N ASP A 36 4.138 0.560 4.344 1.00 25.00 N ATOM 627 CA ASP A 36 4.941 0.712 3.116 1.00 25.00 C ATOM 628 C ASP A 36 6.170 -0.188 3.225 1.00 25.00 C ATOM 629 O ASP A 36 6.671 -0.709 2.236 1.00 25.00 O ATOM 630 CB ASP A 36 5.454 2.152 2.922 1.00 25.00 C ATOM 631 CG ASP A 36 4.350 3.148 2.648 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.490 2.891 1.784 1.00 25.00 O ATOM 633 OD2 ASP A 36 4.405 4.252 3.242 1.00 25.00 O ATOM 0 H ASP A 36 4.151 1.367 4.968 1.00 25.00 H new ATOM 0 HA ASP A 36 4.299 0.450 2.275 1.00 25.00 H new ATOM 0 HB2 ASP A 36 5.998 2.460 3.815 1.00 25.00 H new ATOM 0 HB3 ASP A 36 6.163 2.169 2.094 1.00 25.00 H new ATOM 638 N PHE A 37 6.674 -0.337 4.440 1.00 25.00 N ATOM 639 CA PHE A 37 7.904 -1.089 4.671 1.00 25.00 C ATOM 640 C PHE A 37 7.731 -2.583 4.380 1.00 25.00 C ATOM 641 O PHE A 37 8.581 -3.190 3.733 1.00 25.00 O ATOM 642 CB PHE A 37 8.380 -0.857 6.108 1.00 25.00 C ATOM 643 CG PHE A 37 9.812 -1.248 6.343 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.858 -0.474 5.806 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.126 -2.378 7.115 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.212 -0.829 6.031 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.474 -2.745 7.345 1.00 25.00 C ATOM 648 CZ PHE A 37 12.517 -1.968 6.798 1.00 25.00 C ATOM 0 H PHE A 37 6.252 0.052 5.284 1.00 25.00 H new ATOM 0 HA PHE A 37 8.662 -0.726 3.977 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.255 0.197 6.356 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.742 -1.422 6.788 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.626 0.400 5.216 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.331 -2.974 7.538 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.006 -0.227 5.615 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.703 -3.618 7.938 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.546 -2.247 6.968 1.00 25.00 H new ATOM 658 N VAL A 38 6.611 -3.169 4.795 1.00 25.00 N ATOM 659 CA VAL A 38 6.351 -4.585 4.486 1.00 25.00 C ATOM 660 C VAL A 38 6.218 -4.765 2.974 1.00 25.00 C ATOM 661 O VAL A 38 6.693 -5.751 2.432 1.00 25.00 O ATOM 662 CB VAL A 38 5.090 -5.175 5.249 1.00 25.00 C ATOM 663 CG1 VAL A 38 3.980 -4.163 5.385 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.538 -6.441 4.551 1.00 25.00 C ATOM 0 H VAL A 38 5.880 -2.704 5.334 1.00 25.00 H new ATOM 0 HA VAL A 38 7.205 -5.157 4.848 1.00 25.00 H new ATOM 0 HB VAL A 38 5.443 -5.441 6.245 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.140 -4.613 5.913 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.341 -3.300 5.945 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.656 -3.843 4.395 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.676 -6.814 5.103 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.237 -6.193 3.533 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.312 -7.208 4.524 1.00 25.00 H new ATOM 674 N LYS A 39 5.634 -3.796 2.281 1.00 25.00 N ATOM 675 CA LYS A 39 5.496 -3.883 0.823 1.00 25.00 C ATOM 676 C LYS A 39 6.857 -3.983 0.136 1.00 25.00 C ATOM 677 O LYS A 39 7.002 -4.709 -0.842 1.00 25.00 O ATOM 678 CB LYS A 39 4.717 -2.667 0.298 1.00 25.00 C ATOM 679 CG LYS A 39 4.600 -2.592 -1.227 1.00 25.00 C ATOM 680 CD LYS A 39 5.502 -1.480 -1.787 1.00 25.00 C ATOM 681 CE LYS A 39 6.017 -1.813 -3.182 1.00 25.00 C ATOM 682 NZ LYS A 39 7.167 -2.780 -3.119 1.00 25.00 N ATOM 0 H LYS A 39 5.250 -2.946 2.695 1.00 25.00 H new ATOM 0 HA LYS A 39 4.943 -4.792 0.589 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.714 -2.683 0.725 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.202 -1.759 0.657 1.00 25.00 H new ATOM 0 HG2 LYS A 39 4.880 -3.550 -1.666 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.564 -2.403 -1.508 1.00 25.00 H new ATOM 0 HD2 LYS A 39 4.945 -0.543 -1.820 1.00 25.00 H new ATOM 0 HD3 LYS A 39 6.347 -1.325 -1.116 1.00 25.00 H new ATOM 0 HE2 LYS A 39 5.211 -2.241 -3.778 1.00 25.00 H new ATOM 0 HE3 LYS A 39 6.334 -0.899 -3.684 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 7.344 -3.171 -4.066 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 8.018 -2.286 -2.784 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 6.935 -3.553 -2.463 1.00 25.00 H new ATOM 696 N ASP A 40 7.847 -3.252 0.619 1.00 25.00 N ATOM 697 CA ASP A 40 9.167 -3.278 -0.019 1.00 25.00 C ATOM 698 C ASP A 40 9.978 -4.522 0.335 1.00 25.00 C ATOM 699 O ASP A 40 10.542 -5.155 -0.551 1.00 25.00 O ATOM 700 CB ASP A 40 9.968 -2.020 0.327 1.00 25.00 C ATOM 701 CG ASP A 40 9.806 -0.914 -0.719 1.00 25.00 C ATOM 702 OD1 ASP A 40 9.007 -1.090 -1.674 1.00 25.00 O ATOM 703 OD2 ASP A 40 10.486 0.126 -0.594 1.00 25.00 O ATOM 0 H ASP A 40 7.773 -2.643 1.434 1.00 25.00 H new ATOM 0 HA ASP A 40 8.982 -3.308 -1.093 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.648 -1.646 1.299 1.00 25.00 H new ATOM 0 HB3 ASP A 40 11.023 -2.279 0.417 1.00 25.00 H new ATOM 708 N THR A 41 10.040 -4.891 1.608 1.00 25.00 N ATOM 709 CA THR A 41 10.828 -6.066 2.003 1.00 25.00 C ATOM 710 C THR A 41 10.147 -7.371 1.578 1.00 25.00 C ATOM 711 O THR A 41 10.801 -8.375 1.312 1.00 25.00 O ATOM 712 CB THR A 41 11.052 -6.098 3.527 1.00 25.00 C ATOM 713 OG1 THR A 41 11.210 -4.762 4.009 1.00 25.00 O ATOM 714 CG2 THR A 41 12.307 -6.878 3.877 1.00 25.00 C ATOM 0 H THR A 41 9.568 -4.411 2.374 1.00 25.00 H new ATOM 0 HA THR A 41 11.788 -5.983 1.494 1.00 25.00 H new ATOM 0 HB THR A 41 10.189 -6.580 3.986 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.207 -4.765 4.989 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.441 -6.885 4.959 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.211 -7.902 3.517 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.171 -6.408 3.407 1.00 25.00 H new ATOM 722 N CYS A 42 8.827 -7.343 1.507 1.00 25.00 N ATOM 723 CA CYS A 42 8.035 -8.494 1.076 1.00 25.00 C ATOM 724 C CYS A 42 7.116 -8.099 -0.082 1.00 25.00 C ATOM 725 O CYS A 42 5.913 -7.912 0.113 1.00 25.00 O ATOM 726 CB CYS A 42 7.194 -9.017 2.241 1.00 25.00 C ATOM 727 SG CYS A 42 8.186 -9.674 3.584 1.00 25.00 S ATOM 0 H CYS A 42 8.269 -6.523 1.746 1.00 25.00 H new ATOM 0 HA CYS A 42 8.714 -9.278 0.742 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.568 -8.210 2.621 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.524 -9.796 1.877 1.00 25.00 H new ATOM 0 HG CYS A 42 9.390 -9.913 3.157 1.00 25.00 H new ATOM 733 N PRO A 43 7.656 -8.005 -1.311 1.00 25.00 N ATOM 734 CA PRO A 43 6.812 -7.588 -2.439 1.00 25.00 C ATOM 735 C PRO A 43 5.807 -8.655 -2.845 1.00 25.00 C ATOM 736 O PRO A 43 4.816 -8.371 -3.508 1.00 25.00 O ATOM 737 CB PRO A 43 7.833 -7.324 -3.547 1.00 25.00 C ATOM 738 CG PRO A 43 8.942 -8.270 -3.249 1.00 25.00 C ATOM 739 CD PRO A 43 9.039 -8.281 -1.742 1.00 25.00 C ATOM 0 HA PRO A 43 6.193 -6.723 -2.201 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.407 -7.507 -4.534 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.177 -6.290 -3.535 1.00 25.00 H new ATOM 0 HG2 PRO A 43 8.730 -9.265 -3.640 1.00 25.00 H new ATOM 0 HG3 PRO A 43 9.876 -7.941 -3.704 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.392 -9.242 -1.369 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.733 -7.523 -1.378 1.00 25.00 H new ATOM 747 N TRP A 44 6.051 -9.875 -2.398 1.00 25.00 N ATOM 748 CA TRP A 44 5.160 -11.001 -2.640 1.00 25.00 C ATOM 749 C TRP A 44 3.948 -10.993 -1.708 1.00 25.00 C ATOM 750 O TRP A 44 2.928 -11.600 -2.011 1.00 25.00 O ATOM 751 CB TRP A 44 5.950 -12.294 -2.469 1.00 25.00 C ATOM 752 CG TRP A 44 7.015 -12.156 -1.425 1.00 25.00 C ATOM 753 CD1 TRP A 44 6.834 -12.031 -0.100 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.442 -12.095 -1.626 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.018 -11.911 0.568 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.038 -11.935 -0.340 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.278 -12.140 -2.760 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.429 -11.819 -0.160 1.00 25.00 C ATOM 759 CZ3 TRP A 44 10.683 -12.026 -2.585 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.240 -11.866 -1.280 1.00 25.00 C ATOM 0 H TRP A 44 6.879 -10.116 -1.853 1.00 25.00 H new ATOM 0 HA TRP A 44 4.774 -10.922 -3.656 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.272 -13.101 -2.193 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.405 -12.571 -3.420 1.00 25.00 H new ATOM 0 HD1 TRP A 44 5.866 -12.026 0.380 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.124 -11.819 1.578 1.00 25.00 H new ATOM 0 HE3 TRP A 44 8.857 -12.259 -3.747 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 10.852 -11.697 0.826 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.335 -12.061 -3.445 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.310 -11.780 -1.165 1.00 25.00 H new ATOM 771 N PHE A 45 4.035 -10.283 -0.589 1.00 25.00 N ATOM 772 CA PHE A 45 2.912 -10.225 0.352 1.00 25.00 C ATOM 773 C PHE A 45 1.671 -9.592 -0.311 1.00 25.00 C ATOM 774 O PHE A 45 0.606 -10.214 -0.327 1.00 25.00 O ATOM 775 CB PHE A 45 3.314 -9.485 1.643 1.00 25.00 C ATOM 776 CG PHE A 45 2.237 -9.474 2.699 1.00 25.00 C ATOM 777 CD1 PHE A 45 1.254 -8.465 2.711 1.00 25.00 C ATOM 778 CD2 PHE A 45 2.210 -10.464 3.702 1.00 25.00 C ATOM 779 CE1 PHE A 45 0.247 -8.443 3.707 1.00 25.00 C ATOM 780 CE2 PHE A 45 1.208 -10.449 4.710 1.00 25.00 C ATOM 781 CZ PHE A 45 0.228 -9.433 4.709 1.00 25.00 C ATOM 0 H PHE A 45 4.856 -9.746 -0.310 1.00 25.00 H new ATOM 0 HA PHE A 45 2.646 -11.244 0.632 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.209 -9.952 2.055 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.577 -8.457 1.394 1.00 25.00 H new ATOM 0 HD1 PHE A 45 1.268 -7.698 1.951 1.00 25.00 H new ATOM 0 HD2 PHE A 45 2.959 -11.242 3.705 1.00 25.00 H new ATOM 0 HE1 PHE A 45 -0.505 -7.668 3.698 1.00 25.00 H new ATOM 0 HE2 PHE A 45 1.196 -11.212 5.474 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.534 -9.415 5.474 1.00 25.00 H new ATOM 791 N PRO A 46 1.793 -8.381 -0.909 1.00 25.00 N ATOM 792 CA PRO A 46 0.567 -7.922 -1.571 1.00 25.00 C ATOM 793 C PRO A 46 0.196 -8.679 -2.853 1.00 25.00 C ATOM 794 O PRO A 46 -0.966 -8.701 -3.226 1.00 25.00 O ATOM 795 CB PRO A 46 0.884 -6.456 -1.881 1.00 25.00 C ATOM 796 CG PRO A 46 2.331 -6.435 -2.082 1.00 25.00 C ATOM 797 CD PRO A 46 2.862 -7.367 -1.036 1.00 25.00 C ATOM 0 HA PRO A 46 -0.302 -8.086 -0.934 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.354 -6.114 -2.770 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.587 -5.803 -1.061 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.598 -6.768 -3.085 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.735 -5.430 -1.962 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.808 -7.816 -1.340 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.042 -6.852 -0.092 1.00 25.00 H new ATOM 805 N GLN A 47 1.166 -9.304 -3.517 1.00 25.00 N ATOM 806 CA GLN A 47 0.897 -10.025 -4.772 1.00 25.00 C ATOM 807 C GLN A 47 -0.004 -11.233 -4.564 1.00 25.00 C ATOM 808 O GLN A 47 -0.843 -11.533 -5.402 1.00 25.00 O ATOM 809 CB GLN A 47 2.206 -10.502 -5.406 1.00 25.00 C ATOM 810 CG GLN A 47 3.012 -9.381 -6.037 1.00 25.00 C ATOM 811 CD GLN A 47 4.371 -9.840 -6.539 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.929 -10.815 -6.068 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.910 -9.125 -7.493 1.00 25.00 N ATOM 0 H GLN A 47 2.140 -9.330 -3.215 1.00 25.00 H new ATOM 0 HA GLN A 47 0.387 -9.321 -5.430 1.00 25.00 H new ATOM 0 HB2 GLN A 47 2.813 -10.992 -4.645 1.00 25.00 H new ATOM 0 HB3 GLN A 47 1.982 -11.251 -6.166 1.00 25.00 H new ATOM 0 HG2 GLN A 47 2.447 -8.958 -6.868 1.00 25.00 H new ATOM 0 HG3 GLN A 47 3.150 -8.584 -5.306 1.00 25.00 H new ATOM 0 HE21 GLN A 47 4.415 -8.314 -7.865 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.825 -9.378 -7.865 1.00 25.00 H new ATOM 822 N GLU A 48 0.168 -11.932 -3.453 1.00 25.00 N ATOM 823 CA GLU A 48 -0.648 -13.115 -3.183 1.00 25.00 C ATOM 824 C GLU A 48 -2.034 -12.727 -2.649 1.00 25.00 C ATOM 825 O GLU A 48 -2.910 -13.579 -2.506 1.00 25.00 O ATOM 826 CB GLU A 48 0.074 -14.049 -2.209 1.00 25.00 C ATOM 827 CG GLU A 48 1.340 -14.680 -2.814 1.00 25.00 C ATOM 828 CD GLU A 48 1.949 -15.730 -1.900 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.373 -16.837 -1.791 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.915 -15.415 -1.171 1.00 25.00 O ATOM 0 H GLU A 48 0.853 -11.709 -2.731 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.797 -13.646 -4.123 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.345 -13.492 -1.312 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.608 -14.841 -1.899 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.095 -15.134 -3.774 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.075 -13.900 -3.009 1.00 25.00 H new ATOM 837 N GLY A 49 -2.235 -11.439 -2.383 1.00 25.00 N ATOM 838 CA GLY A 49 -3.550 -10.927 -2.011 1.00 25.00 C ATOM 839 C GLY A 49 -4.181 -11.545 -0.777 1.00 25.00 C ATOM 840 O GLY A 49 -5.397 -11.532 -0.649 1.00 25.00 O ATOM 0 H GLY A 49 -1.502 -10.730 -2.418 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.468 -9.852 -1.853 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -4.227 -11.074 -2.853 1.00 25.00 H new ATOM 844 N THR A 50 -3.379 -12.126 0.100 1.00 25.00 N ATOM 845 CA THR A 50 -3.905 -12.857 1.253 1.00 25.00 C ATOM 846 C THR A 50 -3.205 -12.401 2.527 1.00 25.00 C ATOM 847 O THR A 50 -1.986 -12.217 2.542 1.00 25.00 O ATOM 848 CB THR A 50 -3.697 -14.374 1.061 1.00 25.00 C ATOM 849 OG1 THR A 50 -4.225 -14.782 -0.203 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.400 -15.185 2.147 1.00 25.00 C ATOM 0 H THR A 50 -2.361 -12.109 0.040 1.00 25.00 H new ATOM 0 HA THR A 50 -4.972 -12.651 1.338 1.00 25.00 H new ATOM 0 HB THR A 50 -2.624 -14.559 1.115 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.683 -14.398 -0.923 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.229 -16.248 1.976 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.003 -14.906 3.123 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.470 -14.980 2.118 1.00 25.00 H new ATOM 858 N ILE A 51 -3.976 -12.210 3.587 1.00 25.00 N ATOM 859 CA ILE A 51 -3.471 -11.700 4.856 1.00 25.00 C ATOM 860 C ILE A 51 -3.823 -12.687 5.964 1.00 25.00 C ATOM 861 O ILE A 51 -4.949 -12.771 6.437 1.00 25.00 O ATOM 862 CB ILE A 51 -4.061 -10.292 5.129 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.581 -9.334 4.024 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.644 -9.740 6.522 1.00 25.00 C ATOM 865 CD1 ILE A 51 -4.161 -7.982 4.102 1.00 25.00 C ATOM 0 H ILE A 51 -4.977 -12.406 3.592 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.386 -11.599 4.820 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.148 -10.371 5.127 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.495 -9.255 4.074 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.824 -9.766 3.053 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -4.081 -8.752 6.668 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -4.001 -10.413 7.302 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.558 -9.667 6.574 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.771 -7.371 3.288 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -5.246 -8.046 4.020 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.896 -7.527 5.056 1.00 25.00 H new ATOM 877 N ASP A 52 -2.818 -13.441 6.370 1.00 25.00 N ATOM 878 CA ASP A 52 -2.955 -14.426 7.436 1.00 25.00 C ATOM 879 C ASP A 52 -1.870 -14.107 8.417 1.00 25.00 C ATOM 880 O ASP A 52 -0.866 -13.483 8.066 1.00 25.00 O ATOM 881 CB ASP A 52 -2.711 -15.833 6.900 1.00 25.00 C ATOM 882 CG ASP A 52 -3.363 -16.925 7.735 1.00 25.00 C ATOM 883 OD1 ASP A 52 -3.014 -17.062 8.922 1.00 25.00 O ATOM 884 OD2 ASP A 52 -4.077 -17.763 7.160 1.00 25.00 O ATOM 0 H ASP A 52 -1.880 -13.390 5.971 1.00 25.00 H new ATOM 0 HA ASP A 52 -3.953 -14.392 7.872 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -3.088 -15.894 5.879 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -1.637 -16.014 6.855 1.00 25.00 H new ATOM 889 N ILE A 53 -2.005 -14.636 9.610 1.00 25.00 N ATOM 890 CA ILE A 53 -0.951 -14.520 10.598 1.00 25.00 C ATOM 891 C ILE A 53 0.214 -15.336 10.091 1.00 25.00 C ATOM 892 O ILE A 53 1.342 -14.915 10.202 1.00 25.00 O ATOM 893 CB ILE A 53 -1.405 -14.971 12.020 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.293 -14.743 13.061 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.874 -16.441 12.068 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.093 -13.282 13.263 1.00 25.00 C ATOM 0 H ILE A 53 -2.829 -15.149 9.922 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.667 -13.475 10.719 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.264 -14.347 12.268 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.617 -15.156 14.016 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.592 -15.301 12.757 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.177 -16.693 13.084 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.720 -16.575 11.394 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -1.057 -17.094 11.760 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.882 -13.214 14.012 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.451 -12.867 12.321 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.777 -12.719 13.600 1.00 25.00 H new ATOM 908 N LYS A 54 -0.073 -16.460 9.442 1.00 25.00 N ATOM 909 CA LYS A 54 0.967 -17.347 8.903 1.00 25.00 C ATOM 910 C LYS A 54 1.868 -16.588 7.941 1.00 25.00 C ATOM 911 O LYS A 54 3.078 -16.794 7.909 1.00 25.00 O ATOM 912 CB LYS A 54 0.312 -18.527 8.168 1.00 25.00 C ATOM 913 CG LYS A 54 -0.623 -19.379 9.040 1.00 25.00 C ATOM 914 CD LYS A 54 -1.670 -20.094 8.181 1.00 25.00 C ATOM 915 CE LYS A 54 -2.904 -20.468 9.011 1.00 25.00 C ATOM 916 NZ LYS A 54 -4.157 -20.389 8.174 1.00 25.00 N ATOM 0 H LYS A 54 -1.025 -16.785 9.273 1.00 25.00 H new ATOM 0 HA LYS A 54 1.570 -17.720 9.731 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.254 -18.142 7.320 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.096 -19.168 7.764 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -0.040 -20.113 9.596 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.120 -18.745 9.774 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.967 -19.450 7.353 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.235 -20.993 7.745 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -2.789 -21.477 9.407 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.990 -19.797 9.866 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -4.989 -20.546 8.778 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -4.222 -19.449 7.734 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -4.125 -21.117 7.432 1.00 25.00 H new ATOM 930 N ARG A 55 1.267 -15.691 7.175 1.00 25.00 N ATOM 931 CA ARG A 55 2.006 -14.877 6.215 1.00 25.00 C ATOM 932 C ARG A 55 2.704 -13.724 6.909 1.00 25.00 C ATOM 933 O ARG A 55 3.822 -13.382 6.566 1.00 25.00 O ATOM 934 CB ARG A 55 1.048 -14.340 5.157 1.00 25.00 C ATOM 935 CG ARG A 55 0.440 -15.441 4.313 1.00 25.00 C ATOM 936 CD ARG A 55 -0.514 -14.867 3.302 1.00 25.00 C ATOM 937 NE ARG A 55 -0.845 -15.840 2.250 1.00 25.00 N ATOM 938 CZ ARG A 55 -0.097 -16.084 1.180 1.00 25.00 C ATOM 939 NH1 ARG A 55 1.054 -15.492 0.993 1.00 25.00 N ATOM 940 NH2 ARG A 55 -0.511 -16.934 0.289 1.00 25.00 N ATOM 0 H ARG A 55 0.264 -15.506 7.198 1.00 25.00 H new ATOM 0 HA ARG A 55 2.764 -15.501 5.741 1.00 25.00 H new ATOM 0 HB2 ARG A 55 0.251 -13.778 5.645 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.580 -13.642 4.510 1.00 25.00 H new ATOM 0 HG2 ARG A 55 1.229 -15.994 3.803 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -0.084 -16.151 4.954 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.428 -14.549 3.804 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.073 -13.978 2.850 1.00 25.00 H new ATOM 0 HE ARG A 55 -1.713 -16.366 2.349 1.00 25.00 H new ATOM 0 HH11 ARG A 55 1.400 -14.822 1.679 1.00 25.00 H new ATOM 0 HH12 ARG A 55 1.606 -15.701 0.161 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -1.405 -17.409 0.414 1.00 25.00 H new ATOM 0 HH22 ARG A 55 0.058 -17.126 -0.535 1.00 25.00 H new ATOM 954 N TRP A 56 2.055 -13.142 7.902 1.00 25.00 N ATOM 955 CA TRP A 56 2.636 -12.024 8.637 1.00 25.00 C ATOM 956 C TRP A 56 3.894 -12.427 9.411 1.00 25.00 C ATOM 957 O TRP A 56 4.798 -11.619 9.565 1.00 25.00 O ATOM 958 CB TRP A 56 1.598 -11.425 9.583 1.00 25.00 C ATOM 959 CG TRP A 56 1.996 -10.073 10.090 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.368 -9.742 11.349 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.089 -8.848 9.331 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.675 -8.419 11.454 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.524 -7.830 10.231 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.857 -8.507 7.984 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.742 -6.500 9.818 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.074 -7.170 7.564 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.513 -6.179 8.492 1.00 25.00 C ATOM 0 H TRP A 56 1.127 -13.422 8.220 1.00 25.00 H new ATOM 0 HA TRP A 56 2.938 -11.274 7.906 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.641 -11.348 9.066 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.451 -12.097 10.428 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.416 -10.442 12.170 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.970 -7.945 12.308 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.519 -9.254 7.281 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.079 -5.751 10.519 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 1.905 -6.899 6.532 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.669 -5.165 8.155 1.00 25.00 H new ATOM 978 N ARG A 57 3.983 -13.680 9.855 1.00 25.00 N ATOM 979 CA ARG A 57 5.190 -14.147 10.574 1.00 25.00 C ATOM 980 C ARG A 57 6.381 -13.992 9.669 1.00 25.00 C ATOM 981 O ARG A 57 7.377 -13.383 10.015 1.00 25.00 O ATOM 982 CB ARG A 57 5.095 -15.600 11.001 1.00 25.00 C ATOM 983 CG ARG A 57 3.757 -15.928 11.469 1.00 25.00 C ATOM 984 CD ARG A 57 3.715 -16.869 12.552 1.00 25.00 C ATOM 985 NE ARG A 57 4.550 -18.061 12.321 1.00 25.00 N ATOM 986 CZ ARG A 57 4.659 -19.092 13.149 1.00 25.00 C ATOM 987 NH1 ARG A 57 3.982 -19.166 14.270 1.00 25.00 N ATOM 988 NH2 ARG A 57 5.469 -20.068 12.845 1.00 25.00 N ATOM 0 H ARG A 57 3.255 -14.385 9.738 1.00 25.00 H new ATOM 0 HA ARG A 57 5.286 -13.543 11.477 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.358 -16.245 10.163 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.818 -15.796 11.793 1.00 25.00 H new ATOM 0 HG2 ARG A 57 3.262 -15.010 11.784 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.183 -16.330 10.634 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.044 -16.375 13.466 1.00 25.00 H new ATOM 0 HD3 ARG A 57 2.683 -17.182 12.712 1.00 25.00 H new ATOM 0 HE ARG A 57 5.087 -18.096 11.455 1.00 25.00 H new ATOM 0 HH11 ARG A 57 3.344 -18.414 14.531 1.00 25.00 H new ATOM 0 HH12 ARG A 57 4.093 -19.976 14.880 1.00 25.00 H new ATOM 0 HH21 ARG A 57 6.009 -20.032 11.980 1.00 25.00 H new ATOM 0 HH22 ARG A 57 5.563 -20.867 13.472 1.00 25.00 H new ATOM 1002 N ARG A 58 6.203 -14.506 8.463 1.00 25.00 N ATOM 1003 CA ARG A 58 7.230 -14.419 7.411 1.00 25.00 C ATOM 1004 C ARG A 58 7.684 -12.997 7.099 1.00 25.00 C ATOM 1005 O ARG A 58 8.816 -12.799 6.702 1.00 25.00 O ATOM 1006 CB ARG A 58 6.754 -15.069 6.115 1.00 25.00 C ATOM 1007 CG ARG A 58 6.842 -16.578 6.120 1.00 25.00 C ATOM 1008 CD ARG A 58 6.555 -17.107 4.725 1.00 25.00 C ATOM 1009 NE ARG A 58 6.805 -18.553 4.621 1.00 25.00 N ATOM 1010 CZ ARG A 58 6.697 -19.267 3.506 1.00 25.00 C ATOM 1011 NH1 ARG A 58 6.329 -18.735 2.365 1.00 25.00 N ATOM 1012 NH2 ARG A 58 6.964 -20.542 3.540 1.00 25.00 N ATOM 0 H ARG A 58 5.354 -14.993 8.177 1.00 25.00 H new ATOM 0 HA ARG A 58 8.086 -14.957 7.819 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.721 -14.775 5.931 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.348 -14.683 5.287 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.834 -16.894 6.443 1.00 25.00 H new ATOM 0 HG3 ARG A 58 6.128 -16.992 6.832 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.517 -16.899 4.465 1.00 25.00 H new ATOM 0 HD3 ARG A 58 7.177 -16.579 4.002 1.00 25.00 H new ATOM 0 HE ARG A 58 7.083 -19.045 5.470 1.00 25.00 H new ATOM 0 HH11 ARG A 58 6.114 -17.739 2.312 1.00 25.00 H new ATOM 0 HH12 ARG A 58 6.258 -19.317 1.530 1.00 25.00 H new ATOM 0 HH21 ARG A 58 7.252 -20.980 4.415 1.00 25.00 H new ATOM 0 HH22 ARG A 58 6.885 -21.102 2.691 1.00 25.00 H new ATOM 1026 N VAL A 59 6.826 -12.009 7.290 1.00 25.00 N ATOM 1027 CA VAL A 59 7.218 -10.615 7.057 1.00 25.00 C ATOM 1028 C VAL A 59 8.271 -10.210 8.075 1.00 25.00 C ATOM 1029 O VAL A 59 9.251 -9.544 7.755 1.00 25.00 O ATOM 1030 CB VAL A 59 6.002 -9.661 7.188 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.413 -8.215 7.028 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.956 -10.018 6.161 1.00 25.00 C ATOM 0 H VAL A 59 5.863 -12.136 7.602 1.00 25.00 H new ATOM 0 HA VAL A 59 7.615 -10.539 6.045 1.00 25.00 H new ATOM 0 HB VAL A 59 5.586 -9.781 8.188 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.536 -7.575 7.126 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.139 -7.956 7.798 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.860 -8.071 6.045 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.105 -9.344 6.259 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.380 -9.924 5.161 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.626 -11.045 6.320 1.00 25.00 H new ATOM 1042 N GLY A 60 8.071 -10.640 9.306 1.00 25.00 N ATOM 1043 CA GLY A 60 8.999 -10.312 10.363 1.00 25.00 C ATOM 1044 C GLY A 60 10.266 -11.120 10.245 1.00 25.00 C ATOM 1045 O GLY A 60 11.347 -10.618 10.523 1.00 25.00 O ATOM 0 H GLY A 60 7.278 -11.214 9.595 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.237 -9.249 10.325 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.534 -10.500 11.331 1.00 25.00 H new ATOM 1049 N ASP A 61 10.135 -12.350 9.767 1.00 25.00 N ATOM 1050 CA ASP A 61 11.292 -13.211 9.520 1.00 25.00 C ATOM 1051 C ASP A 61 12.161 -12.518 8.456 1.00 25.00 C ATOM 1052 O ASP A 61 13.379 -12.465 8.557 1.00 25.00 O ATOM 1053 CB ASP A 61 10.849 -14.599 9.010 1.00 25.00 C ATOM 1054 CG ASP A 61 9.942 -15.348 10.003 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.036 -15.117 11.225 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.107 -16.170 9.536 1.00 25.00 O ATOM 0 H ASP A 61 9.237 -12.778 9.541 1.00 25.00 H new ATOM 0 HA ASP A 61 11.848 -13.362 10.445 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.321 -14.480 8.064 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.733 -15.204 8.808 1.00 25.00 H new ATOM 1061 N CYS A 62 11.501 -11.928 7.468 1.00 25.00 N ATOM 1062 CA CYS A 62 12.180 -11.191 6.402 1.00 25.00 C ATOM 1063 C CYS A 62 12.903 -9.956 6.942 1.00 25.00 C ATOM 1064 O CYS A 62 14.047 -9.684 6.574 1.00 25.00 O ATOM 1065 CB CYS A 62 11.153 -10.759 5.351 1.00 25.00 C ATOM 1066 SG CYS A 62 11.801 -10.704 3.666 1.00 25.00 S ATOM 0 H CYS A 62 10.485 -11.944 7.380 1.00 25.00 H new ATOM 0 HA CYS A 62 12.925 -11.850 5.957 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.307 -11.446 5.381 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.772 -9.772 5.615 1.00 25.00 H new ATOM 0 HG CYS A 62 11.320 -9.665 3.050 1.00 25.00 H new ATOM 1072 N PHE A 63 12.251 -9.214 7.834 1.00 25.00 N ATOM 1073 CA PHE A 63 12.883 -8.036 8.430 1.00 25.00 C ATOM 1074 C PHE A 63 14.098 -8.472 9.230 1.00 25.00 C ATOM 1075 O PHE A 63 15.112 -7.789 9.238 1.00 25.00 O ATOM 1076 CB PHE A 63 11.955 -7.296 9.405 1.00 25.00 C ATOM 1077 CG PHE A 63 10.715 -6.692 8.780 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.683 -6.271 7.433 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.566 -6.504 9.575 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.514 -5.673 6.890 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.402 -5.901 9.044 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.379 -5.484 7.700 1.00 25.00 C ATOM 0 H PHE A 63 11.302 -9.401 8.157 1.00 25.00 H new ATOM 0 HA PHE A 63 13.141 -7.370 7.607 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.647 -7.990 10.187 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.522 -6.501 9.890 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.555 -6.405 6.810 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.575 -6.826 10.606 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.497 -5.363 5.855 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.532 -5.761 9.669 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.493 -5.020 7.292 1.00 25.00 H new ATOM 1092 N GLN A 64 13.978 -9.594 9.926 1.00 25.00 N ATOM 1093 CA GLN A 64 15.047 -10.095 10.781 1.00 25.00 C ATOM 1094 C GLN A 64 16.258 -10.472 9.947 1.00 25.00 C ATOM 1095 O GLN A 64 17.378 -10.125 10.288 1.00 25.00 O ATOM 1096 CB GLN A 64 14.558 -11.322 11.557 1.00 25.00 C ATOM 1097 CG GLN A 64 15.586 -11.918 12.506 1.00 25.00 C ATOM 1098 CD GLN A 64 15.154 -13.266 13.029 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.696 -13.389 14.155 1.00 25.00 O ATOM 1100 NE2 GLN A 64 15.294 -14.282 12.215 1.00 25.00 N ATOM 0 H GLN A 64 13.143 -10.180 9.915 1.00 25.00 H new ATOM 0 HA GLN A 64 15.331 -9.310 11.482 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.672 -11.046 12.128 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.252 -12.088 10.845 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.541 -12.018 11.990 1.00 25.00 H new ATOM 0 HG3 GLN A 64 15.745 -11.238 13.343 1.00 25.00 H new ATOM 0 HE21 GLN A 64 15.681 -14.139 11.282 1.00 25.00 H new ATOM 0 HE22 GLN A 64 15.016 -15.217 12.514 1.00 25.00 H new ATOM 1109 N ASP A 65 16.041 -11.179 8.855 1.00 25.00 N ATOM 1110 CA ASP A 65 17.157 -11.629 8.033 1.00 25.00 C ATOM 1111 C ASP A 65 17.839 -10.444 7.362 1.00 25.00 C ATOM 1112 O ASP A 65 19.066 -10.386 7.281 1.00 25.00 O ATOM 1113 CB ASP A 65 16.682 -12.640 6.992 1.00 25.00 C ATOM 1114 CG ASP A 65 16.335 -13.995 7.609 1.00 25.00 C ATOM 1115 OD1 ASP A 65 16.698 -14.235 8.790 1.00 25.00 O ATOM 1116 OD2 ASP A 65 15.723 -14.828 6.907 1.00 25.00 O ATOM 0 H ASP A 65 15.119 -11.453 8.517 1.00 25.00 H new ATOM 0 HA ASP A 65 17.885 -12.120 8.679 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.807 -12.243 6.478 1.00 25.00 H new ATOM 0 HB3 ASP A 65 17.459 -12.775 6.240 1.00 25.00 H new ATOM 1121 N TYR A 66 17.062 -9.460 6.933 1.00 25.00 N ATOM 1122 CA TYR A 66 17.643 -8.256 6.342 1.00 25.00 C ATOM 1123 C TYR A 66 18.411 -7.476 7.419 1.00 25.00 C ATOM 1124 O TYR A 66 19.490 -6.937 7.166 1.00 25.00 O ATOM 1125 CB TYR A 66 16.549 -7.385 5.718 1.00 25.00 C ATOM 1126 CG TYR A 66 17.069 -6.440 4.646 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.909 -5.350 4.970 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.730 -6.641 3.291 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.408 -4.489 3.956 1.00 25.00 C ATOM 1130 CE2 TYR A 66 17.220 -5.770 2.279 1.00 25.00 C ATOM 1131 CZ TYR A 66 18.058 -4.707 2.625 1.00 25.00 C ATOM 1132 OH TYR A 66 18.544 -3.870 1.653 1.00 25.00 O ATOM 0 H TYR A 66 16.043 -9.467 6.980 1.00 25.00 H new ATOM 0 HA TYR A 66 18.336 -8.543 5.551 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.785 -8.030 5.284 1.00 25.00 H new ATOM 0 HB3 TYR A 66 16.067 -6.802 6.503 1.00 25.00 H new ATOM 0 HD1 TYR A 66 18.175 -5.170 6.001 1.00 25.00 H new ATOM 0 HD2 TYR A 66 16.090 -7.467 3.019 1.00 25.00 H new ATOM 0 HE1 TYR A 66 19.058 -3.667 4.216 1.00 25.00 H new ATOM 0 HE2 TYR A 66 16.945 -5.930 1.247 1.00 25.00 H new ATOM 0 HH TYR A 66 18.209 -4.156 0.778 1.00 25.00 H new ATOM 1142 N PHE A 67 17.883 -7.458 8.635 1.00 25.00 N ATOM 1143 CA PHE A 67 18.552 -6.795 9.759 1.00 25.00 C ATOM 1144 C PHE A 67 19.866 -7.506 10.086 1.00 25.00 C ATOM 1145 O PHE A 67 20.864 -6.862 10.372 1.00 25.00 O ATOM 1146 CB PHE A 67 17.630 -6.795 10.984 1.00 25.00 C ATOM 1147 CG PHE A 67 18.172 -6.037 12.167 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.103 -6.635 13.040 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.730 -4.730 12.437 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.598 -5.929 14.165 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.206 -4.022 13.562 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.146 -4.620 14.425 1.00 25.00 C ATOM 0 H PHE A 67 16.992 -7.894 8.874 1.00 25.00 H new ATOM 0 HA PHE A 67 18.775 -5.765 9.482 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.669 -6.365 10.701 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.442 -7.826 11.283 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.443 -7.642 12.850 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.017 -4.261 11.775 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.320 -6.393 14.821 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.850 -3.022 13.761 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.518 -4.078 15.282 1.00 25.00 H new ATOM 1162 N ASN A 68 19.882 -8.828 10.000 1.00 25.00 N ATOM 1163 CA ASN A 68 21.105 -9.590 10.261 1.00 25.00 C ATOM 1164 C ASN A 68 22.142 -9.309 9.177 1.00 25.00 C ATOM 1165 O ASN A 68 23.339 -9.327 9.431 1.00 25.00 O ATOM 1166 CB ASN A 68 20.810 -11.096 10.293 1.00 25.00 C ATOM 1167 CG ASN A 68 19.985 -11.506 11.487 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.069 -10.912 12.551 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.201 -12.539 11.326 1.00 25.00 N ATOM 0 H ASN A 68 19.071 -9.396 9.754 1.00 25.00 H new ATOM 0 HA ASN A 68 21.494 -9.281 11.231 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.285 -11.378 9.380 1.00 25.00 H new ATOM 0 HB3 ASN A 68 21.751 -11.646 10.302 1.00 25.00 H new ATOM 0 HD21 ASN A 68 18.633 -12.874 12.104 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.157 -13.010 10.422 1.00 25.00 H new ATOM 1176 N THR A 69 21.669 -9.061 7.966 1.00 25.00 N ATOM 1177 CA THR A 69 22.548 -8.804 6.827 1.00 25.00 C ATOM 1178 C THR A 69 23.151 -7.394 6.851 1.00 25.00 C ATOM 1179 O THR A 69 24.318 -7.209 6.514 1.00 25.00 O ATOM 1180 CB THR A 69 21.761 -8.973 5.493 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.147 -10.264 5.465 1.00 25.00 O ATOM 1182 CG2 THR A 69 22.671 -8.870 4.278 1.00 25.00 C ATOM 0 H THR A 69 20.674 -9.031 7.742 1.00 25.00 H new ATOM 0 HA THR A 69 23.361 -9.527 6.897 1.00 25.00 H new ATOM 0 HB THR A 69 21.020 -8.174 5.451 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.414 -10.292 6.114 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.081 -8.994 3.370 1.00 25.00 H new ATOM 0 HG22 THR A 69 23.154 -7.893 4.267 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.431 -9.650 4.326 1.00 25.00 H new ATOM 1190 N PHE A 70 22.345 -6.394 7.192 1.00 25.00 N ATOM 1191 CA PHE A 70 22.772 -4.997 7.048 1.00 25.00 C ATOM 1192 C PHE A 70 22.670 -4.093 8.284 1.00 25.00 C ATOM 1193 O PHE A 70 23.029 -2.911 8.225 1.00 25.00 O ATOM 1194 CB PHE A 70 21.976 -4.371 5.907 1.00 25.00 C ATOM 1195 CG PHE A 70 22.781 -4.156 4.657 1.00 25.00 C ATOM 1196 CD1 PHE A 70 24.001 -3.448 4.701 1.00 25.00 C ATOM 1197 CD2 PHE A 70 22.328 -4.656 3.423 1.00 25.00 C ATOM 1198 CE1 PHE A 70 24.760 -3.235 3.524 1.00 25.00 C ATOM 1199 CE2 PHE A 70 23.077 -4.447 2.237 1.00 25.00 C ATOM 1200 CZ PHE A 70 24.295 -3.734 2.290 1.00 25.00 C ATOM 0 H PHE A 70 21.404 -6.516 7.566 1.00 25.00 H new ATOM 0 HA PHE A 70 23.844 -5.055 6.858 1.00 25.00 H new ATOM 0 HB2 PHE A 70 21.125 -5.011 5.675 1.00 25.00 H new ATOM 0 HB3 PHE A 70 21.574 -3.414 6.239 1.00 25.00 H new ATOM 0 HD1 PHE A 70 24.361 -3.064 5.644 1.00 25.00 H new ATOM 0 HD2 PHE A 70 21.399 -5.205 3.378 1.00 25.00 H new ATOM 0 HE1 PHE A 70 25.692 -2.692 3.572 1.00 25.00 H new ATOM 0 HE2 PHE A 70 22.717 -4.832 1.295 1.00 25.00 H new ATOM 0 HZ PHE A 70 24.868 -3.572 1.389 1.00 25.00 H new ATOM 1210 N GLY A 71 22.218 -4.632 9.401 1.00 25.00 N ATOM 1211 CA GLY A 71 22.175 -3.871 10.640 1.00 25.00 C ATOM 1212 C GLY A 71 20.996 -2.921 10.809 1.00 25.00 C ATOM 1213 O GLY A 71 20.112 -2.824 9.940 1.00 25.00 O ATOM 0 H GLY A 71 21.876 -5.590 9.478 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.170 -4.574 11.473 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.095 -3.292 10.718 1.00 25.00 H new ATOM 1217 N PRO A 72 20.964 -2.172 11.932 1.00 25.00 N ATOM 1218 CA PRO A 72 19.857 -1.264 12.263 1.00 25.00 C ATOM 1219 C PRO A 72 19.770 -0.014 11.396 1.00 25.00 C ATOM 1220 O PRO A 72 18.803 0.739 11.472 1.00 25.00 O ATOM 1221 CB PRO A 72 20.149 -0.892 13.719 1.00 25.00 C ATOM 1222 CG PRO A 72 21.615 -0.955 13.816 1.00 25.00 C ATOM 1223 CD PRO A 72 21.983 -2.168 13.001 1.00 25.00 C ATOM 0 HA PRO A 72 18.895 -1.747 12.093 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.776 0.104 13.959 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.673 -1.586 14.411 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.080 -0.052 13.420 1.00 25.00 H new ATOM 0 HG3 PRO A 72 21.943 -1.055 14.851 1.00 25.00 H new ATOM 0 HD2 PRO A 72 22.992 -2.091 12.596 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.947 -3.080 13.596 1.00 25.00 H new ATOM 1231 N GLU A 73 20.775 0.203 10.563 1.00 25.00 N ATOM 1232 CA GLU A 73 20.781 1.344 9.655 1.00 25.00 C ATOM 1233 C GLU A 73 19.797 1.152 8.516 1.00 25.00 C ATOM 1234 O GLU A 73 19.347 2.113 7.899 1.00 25.00 O ATOM 1235 CB GLU A 73 22.163 1.509 9.033 1.00 25.00 C ATOM 1236 CG GLU A 73 23.266 1.888 9.990 1.00 25.00 C ATOM 1237 CD GLU A 73 24.588 2.069 9.255 1.00 25.00 C ATOM 1238 OE1 GLU A 73 24.629 1.795 8.026 1.00 25.00 O ATOM 1239 OE2 GLU A 73 25.579 2.466 9.891 1.00 25.00 O ATOM 0 H GLU A 73 21.599 -0.395 10.495 1.00 25.00 H new ATOM 0 HA GLU A 73 20.503 2.220 10.241 1.00 25.00 H new ATOM 0 HB2 GLU A 73 22.436 0.574 8.544 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.103 2.270 8.255 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.003 2.811 10.506 1.00 25.00 H new ATOM 0 HG3 GLU A 73 23.372 1.116 10.752 1.00 25.00 H new ATOM 1246 N LYS A 74 19.535 -0.104 8.186 1.00 25.00 N ATOM 1247 CA LYS A 74 18.745 -0.433 7.001 1.00 25.00 C ATOM 1248 C LYS A 74 17.356 -0.904 7.376 1.00 25.00 C ATOM 1249 O LYS A 74 16.381 -0.509 6.745 1.00 25.00 O ATOM 1250 CB LYS A 74 19.474 -1.497 6.196 1.00 25.00 C ATOM 1251 CG LYS A 74 20.537 -0.953 5.203 1.00 25.00 C ATOM 1252 CD LYS A 74 21.790 -0.446 5.926 1.00 25.00 C ATOM 1253 CE LYS A 74 22.925 -0.091 4.986 1.00 25.00 C ATOM 1254 NZ LYS A 74 24.183 0.177 5.784 1.00 25.00 N ATOM 0 H LYS A 74 19.855 -0.913 8.718 1.00 25.00 H new ATOM 0 HA LYS A 74 18.628 0.466 6.396 1.00 25.00 H new ATOM 0 HB2 LYS A 74 19.962 -2.184 6.887 1.00 25.00 H new ATOM 0 HB3 LYS A 74 18.739 -2.076 5.637 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.816 -1.740 4.503 1.00 25.00 H new ATOM 0 HG3 LYS A 74 20.104 -0.143 4.616 1.00 25.00 H new ATOM 0 HD2 LYS A 74 21.529 0.432 6.517 1.00 25.00 H new ATOM 0 HD3 LYS A 74 22.132 -1.210 6.624 1.00 25.00 H new ATOM 0 HE2 LYS A 74 23.096 -0.906 4.282 1.00 25.00 H new ATOM 0 HE3 LYS A 74 22.662 0.788 4.398 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 24.910 0.582 5.160 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 23.972 0.847 6.550 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 24.533 -0.714 6.190 1.00 25.00 H new ATOM 1268 N VAL A 75 17.243 -1.671 8.451 1.00 25.00 N ATOM 1269 CA VAL A 75 15.924 -1.969 9.001 1.00 25.00 C ATOM 1270 C VAL A 75 15.942 -1.339 10.382 1.00 25.00 C ATOM 1271 O VAL A 75 16.844 -1.607 11.165 1.00 25.00 O ATOM 1272 CB VAL A 75 15.707 -3.510 9.138 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.358 -3.830 9.802 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.784 -4.185 7.774 1.00 25.00 C ATOM 0 H VAL A 75 18.027 -2.091 8.951 1.00 25.00 H new ATOM 0 HA VAL A 75 15.125 -1.591 8.363 1.00 25.00 H new ATOM 0 HB VAL A 75 16.502 -3.898 9.775 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.239 -4.911 9.882 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.328 -3.387 10.798 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.549 -3.420 9.198 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.630 -5.258 7.890 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.012 -3.776 7.122 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.764 -4.004 7.333 1.00 25.00 H new ATOM 1284 N PRO A 76 14.911 -0.562 10.737 1.00 25.00 N ATOM 1285 CA PRO A 76 14.981 -0.002 12.086 1.00 25.00 C ATOM 1286 C PRO A 76 14.424 -0.949 13.139 1.00 25.00 C ATOM 1287 O PRO A 76 13.539 -1.750 12.861 1.00 25.00 O ATOM 1288 CB PRO A 76 14.123 1.247 11.968 1.00 25.00 C ATOM 1289 CG PRO A 76 13.077 0.888 10.984 1.00 25.00 C ATOM 1290 CD PRO A 76 13.733 -0.062 9.999 1.00 25.00 C ATOM 0 HA PRO A 76 16.004 0.190 12.408 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.687 1.521 12.929 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.710 2.101 11.629 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.227 0.414 11.475 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.699 1.775 10.476 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.062 -0.873 9.716 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.022 0.448 9.080 1.00 25.00 H new ATOM 1298 N VAL A 77 14.873 -0.811 14.374 1.00 25.00 N ATOM 1299 CA VAL A 77 14.355 -1.650 15.455 1.00 25.00 C ATOM 1300 C VAL A 77 12.874 -1.352 15.739 1.00 25.00 C ATOM 1301 O VAL A 77 12.136 -2.209 16.220 1.00 25.00 O ATOM 1302 CB VAL A 77 15.203 -1.501 16.750 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.632 -2.014 16.505 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.252 -0.035 17.223 1.00 25.00 C ATOM 0 H VAL A 77 15.585 -0.138 14.657 1.00 25.00 H new ATOM 0 HA VAL A 77 14.432 -2.685 15.121 1.00 25.00 H new ATOM 0 HB VAL A 77 14.729 -2.096 17.531 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.219 -1.906 17.417 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.597 -3.065 16.218 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.094 -1.435 15.705 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.852 0.035 18.130 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.698 0.584 16.444 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.240 0.315 17.430 1.00 25.00 H new ATOM 1314 N THR A 78 12.414 -0.159 15.376 1.00 25.00 N ATOM 1315 CA THR A 78 11.004 0.193 15.561 1.00 25.00 C ATOM 1316 C THR A 78 10.115 -0.571 14.601 1.00 25.00 C ATOM 1317 O THR A 78 8.943 -0.790 14.882 1.00 25.00 O ATOM 1318 CB THR A 78 10.745 1.717 15.400 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.346 1.993 15.463 1.00 25.00 O ATOM 1320 CG2 THR A 78 11.285 2.282 14.109 1.00 25.00 C ATOM 0 H THR A 78 12.986 0.574 14.957 1.00 25.00 H new ATOM 0 HA THR A 78 10.756 -0.087 16.585 1.00 25.00 H new ATOM 0 HB THR A 78 11.275 2.197 16.223 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.008 2.177 14.562 1.00 25.00 H new ATOM 0 HG21 THR A 78 11.070 3.350 14.061 1.00 25.00 H new ATOM 0 HG22 THR A 78 12.363 2.127 14.067 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.812 1.778 13.266 1.00 25.00 H new ATOM 1328 N ALA A 79 10.670 -1.033 13.492 1.00 25.00 N ATOM 1329 CA ALA A 79 9.874 -1.783 12.539 1.00 25.00 C ATOM 1330 C ALA A 79 9.402 -3.095 13.144 1.00 25.00 C ATOM 1331 O ALA A 79 8.284 -3.501 12.906 1.00 25.00 O ATOM 1332 CB ALA A 79 10.660 -2.014 11.290 1.00 25.00 C ATOM 0 H ALA A 79 11.649 -0.905 13.234 1.00 25.00 H new ATOM 0 HA ALA A 79 8.987 -1.202 12.285 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.056 -2.578 10.579 1.00 25.00 H new ATOM 0 HB2 ALA A 79 10.936 -1.055 10.851 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.562 -2.578 11.527 1.00 25.00 H new ATOM 1338 N PHE A 80 10.222 -3.720 13.975 1.00 25.00 N ATOM 1339 CA PHE A 80 9.821 -4.958 14.643 1.00 25.00 C ATOM 1340 C PHE A 80 8.762 -4.676 15.702 1.00 25.00 C ATOM 1341 O PHE A 80 7.879 -5.490 15.952 1.00 25.00 O ATOM 1342 CB PHE A 80 11.027 -5.618 15.304 1.00 25.00 C ATOM 1343 CG PHE A 80 12.111 -5.986 14.338 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.085 -7.225 13.675 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.160 -5.089 14.073 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.099 -7.572 12.759 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.180 -5.419 13.157 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.147 -6.665 12.494 1.00 25.00 C ATOM 0 H PHE A 80 11.162 -3.397 14.204 1.00 25.00 H new ATOM 0 HA PHE A 80 9.407 -5.629 13.891 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.435 -4.942 16.055 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.698 -6.515 15.828 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.280 -7.918 13.869 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.185 -4.134 14.578 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.074 -8.530 12.261 1.00 25.00 H new ATOM 0 HE2 PHE A 80 14.982 -4.722 12.964 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.921 -6.923 11.787 1.00 25.00 H new ATOM 1358 N SER A 81 8.841 -3.508 16.315 1.00 25.00 N ATOM 1359 CA SER A 81 7.875 -3.115 17.342 1.00 25.00 C ATOM 1360 C SER A 81 6.517 -2.888 16.687 1.00 25.00 C ATOM 1361 O SER A 81 5.501 -3.420 17.131 1.00 25.00 O ATOM 1362 CB SER A 81 8.337 -1.842 18.054 1.00 25.00 C ATOM 1363 OG SER A 81 7.412 -1.446 19.050 1.00 25.00 O ATOM 0 H SER A 81 9.561 -2.811 16.124 1.00 25.00 H new ATOM 0 HA SER A 81 7.796 -3.909 18.084 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.314 -2.010 18.508 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.458 -1.039 17.327 1.00 25.00 H new ATOM 0 HG SER A 81 7.733 -0.631 19.489 1.00 25.00 H new ATOM 1369 N TYR A 82 6.516 -2.156 15.585 1.00 25.00 N ATOM 1370 CA TYR A 82 5.295 -1.916 14.830 1.00 25.00 C ATOM 1371 C TYR A 82 4.774 -3.215 14.253 1.00 25.00 C ATOM 1372 O TYR A 82 3.591 -3.480 14.283 1.00 25.00 O ATOM 1373 CB TYR A 82 5.557 -0.935 13.697 1.00 25.00 C ATOM 1374 CG TYR A 82 5.215 0.479 14.073 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.156 1.311 14.714 1.00 25.00 C ATOM 1376 CD2 TYR A 82 3.936 0.994 13.802 1.00 25.00 C ATOM 1377 CE1 TYR A 82 5.824 2.647 15.068 1.00 25.00 C ATOM 1378 CE2 TYR A 82 3.598 2.332 14.154 1.00 25.00 C ATOM 1379 CZ TYR A 82 4.547 3.145 14.777 1.00 25.00 C ATOM 1380 OH TYR A 82 4.220 4.437 15.104 1.00 25.00 O ATOM 0 H TYR A 82 7.348 -1.716 15.192 1.00 25.00 H new ATOM 0 HA TYR A 82 4.552 -1.495 15.507 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.607 -0.988 13.410 1.00 25.00 H new ATOM 0 HB3 TYR A 82 4.973 -1.227 12.824 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.141 0.929 14.939 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.200 0.367 13.321 1.00 25.00 H new ATOM 0 HE1 TYR A 82 6.553 3.275 15.559 1.00 25.00 H new ATOM 0 HE2 TYR A 82 2.612 2.716 13.940 1.00 25.00 H new ATOM 0 HH TYR A 82 3.297 4.620 14.831 1.00 25.00 H new ATOM 1390 N TRP A 83 5.666 -4.048 13.756 1.00 25.00 N ATOM 1391 CA TRP A 83 5.275 -5.326 13.189 1.00 25.00 C ATOM 1392 C TRP A 83 4.521 -6.171 14.207 1.00 25.00 C ATOM 1393 O TRP A 83 3.532 -6.822 13.875 1.00 25.00 O ATOM 1394 CB TRP A 83 6.529 -6.071 12.743 1.00 25.00 C ATOM 1395 CG TRP A 83 6.272 -7.444 12.266 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.847 -7.823 11.040 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.444 -8.668 13.009 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.729 -9.174 10.949 1.00 25.00 N ATOM 1399 CE2 TRP A 83 6.106 -9.735 12.135 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.861 -8.977 14.323 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 6.196 -11.079 12.518 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.959 -10.333 14.712 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.630 -11.372 13.797 1.00 25.00 C ATOM 0 H TRP A 83 6.669 -3.864 13.733 1.00 25.00 H new ATOM 0 HA TRP A 83 4.615 -5.146 12.340 1.00 25.00 H new ATOM 0 HB2 TRP A 83 7.012 -5.505 11.947 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.231 -6.112 13.576 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.629 -7.138 10.234 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.410 -9.686 10.127 1.00 25.00 H new ATOM 0 HE3 TRP A 83 7.102 -8.189 15.021 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.932 -11.868 11.830 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 7.286 -10.582 15.711 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.721 -12.403 14.106 1.00 25.00 H new ATOM 1414 N ASN A 84 4.976 -6.131 15.451 1.00 25.00 N ATOM 1415 CA ASN A 84 4.366 -6.911 16.529 1.00 25.00 C ATOM 1416 C ASN A 84 2.966 -6.407 16.858 1.00 25.00 C ATOM 1417 O ASN A 84 2.091 -7.193 17.204 1.00 25.00 O ATOM 1418 CB ASN A 84 5.236 -6.859 17.788 1.00 25.00 C ATOM 1419 CG ASN A 84 6.210 -8.008 17.866 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.815 -9.160 17.967 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.475 -7.710 17.821 1.00 25.00 N ATOM 0 H ASN A 84 5.771 -5.564 15.745 1.00 25.00 H new ATOM 0 HA ASN A 84 4.290 -7.942 16.183 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.787 -5.918 17.806 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.595 -6.870 18.669 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.175 -8.450 17.870 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.767 -6.736 17.736 1.00 25.00 H new ATOM 1428 N LEU A 85 2.751 -5.109 16.705 1.00 25.00 N ATOM 1429 CA LEU A 85 1.445 -4.498 16.951 1.00 25.00 C ATOM 1430 C LEU A 85 0.402 -5.080 15.994 1.00 25.00 C ATOM 1431 O LEU A 85 -0.704 -5.419 16.399 1.00 25.00 O ATOM 1432 CB LEU A 85 1.581 -2.975 16.780 1.00 25.00 C ATOM 1433 CG LEU A 85 0.393 -2.048 17.060 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.937 -0.645 17.324 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.593 -1.979 15.883 1.00 25.00 C ATOM 0 H LEU A 85 3.470 -4.449 16.409 1.00 25.00 H new ATOM 0 HA LEU A 85 1.109 -4.713 17.965 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.399 -2.652 17.424 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.894 -2.794 15.752 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.149 -2.445 17.919 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.109 0.034 17.526 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.605 -0.670 18.185 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.486 -0.297 16.449 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.415 -1.309 16.135 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.078 -1.605 14.998 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.987 -2.975 15.679 1.00 25.00 H new ATOM 1447 N ILE A 86 0.754 -5.221 14.724 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.176 -5.795 13.749 1.00 25.00 C ATOM 1449 C ILE A 86 -0.214 -7.316 13.923 1.00 25.00 C ATOM 1450 O ILE A 86 -1.246 -7.952 13.725 1.00 25.00 O ATOM 1451 CB ILE A 86 0.211 -5.453 12.274 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.079 -3.940 11.991 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.723 -6.179 11.300 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.317 -3.118 12.305 1.00 25.00 C ATOM 0 H ILE A 86 1.661 -4.952 14.344 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.157 -5.358 13.937 1.00 25.00 H new ATOM 0 HB ILE A 86 1.246 -5.768 12.137 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.173 -3.803 10.939 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.756 -3.548 12.572 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.443 -5.933 10.276 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.640 -7.255 11.450 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.751 -5.866 11.480 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.126 -2.070 12.074 1.00 25.00 H new ATOM 0 HD12 ILE A 86 1.561 -3.217 13.363 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.153 -3.476 11.704 1.00 25.00 H new ATOM 1466 N LYS A 87 0.904 -7.897 14.330 1.00 25.00 N ATOM 1467 CA LYS A 87 0.996 -9.344 14.519 1.00 25.00 C ATOM 1468 C LYS A 87 -0.072 -9.823 15.485 1.00 25.00 C ATOM 1469 O LYS A 87 -0.806 -10.748 15.176 1.00 25.00 O ATOM 1470 CB LYS A 87 2.385 -9.694 15.052 1.00 25.00 C ATOM 1471 CG LYS A 87 2.715 -11.156 15.127 1.00 25.00 C ATOM 1472 CD LYS A 87 3.937 -11.324 16.015 1.00 25.00 C ATOM 1473 CE LYS A 87 3.530 -11.699 17.441 1.00 25.00 C ATOM 1474 NZ LYS A 87 4.724 -11.755 18.348 1.00 25.00 N ATOM 0 H LYS A 87 1.765 -7.391 14.537 1.00 25.00 H new ATOM 0 HA LYS A 87 0.837 -9.841 13.562 1.00 25.00 H new ATOM 0 HB2 LYS A 87 3.128 -9.207 14.420 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.487 -9.268 16.050 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.872 -11.715 15.532 1.00 25.00 H new ATOM 0 HG3 LYS A 87 2.912 -11.552 14.131 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.587 -12.096 15.603 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.511 -10.398 16.028 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.815 -10.970 17.822 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.028 -12.666 17.436 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 4.410 -11.928 19.324 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.354 -12.525 18.045 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.236 -10.851 18.304 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.185 -9.180 16.634 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.200 -9.581 17.606 1.00 25.00 C ATOM 1490 C GLU A 88 -2.607 -9.206 17.128 1.00 25.00 C ATOM 1491 O GLU A 88 -3.571 -9.874 17.474 1.00 25.00 O ATOM 1492 CB GLU A 88 -0.916 -8.974 18.986 1.00 25.00 C ATOM 1493 CG GLU A 88 -0.924 -7.459 19.022 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.766 -6.911 20.426 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -1.666 -7.163 21.263 1.00 25.00 O ATOM 1496 OE2 GLU A 88 0.182 -6.140 20.668 1.00 25.00 O ATOM 0 H GLU A 88 0.398 -8.393 16.918 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.154 -10.666 17.698 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.659 -9.345 19.692 1.00 25.00 H new ATOM 0 HB3 GLU A 88 0.056 -9.328 19.331 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.118 -7.080 18.394 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -1.858 -7.094 18.596 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.729 -8.175 16.299 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.039 -7.780 15.781 1.00 25.00 C ATOM 1505 C LEU A 89 -4.609 -8.832 14.837 1.00 25.00 C ATOM 1506 O LEU A 89 -5.792 -9.124 14.897 1.00 25.00 O ATOM 1507 CB LEU A 89 -3.979 -6.425 15.071 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.036 -5.181 15.979 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.776 -3.930 15.140 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.392 -5.041 16.689 1.00 25.00 C ATOM 0 H LEU A 89 -1.950 -7.603 15.973 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.701 -7.691 16.642 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.058 -6.383 14.489 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -4.806 -6.371 14.363 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.270 -5.297 16.746 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.816 -3.048 15.780 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.791 -4.000 14.679 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.536 -3.849 14.363 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.384 -4.150 17.317 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.185 -4.954 15.946 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.571 -5.920 17.308 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.781 -9.419 13.983 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.264 -10.467 13.075 1.00 25.00 C ATOM 1524 C ILE A 90 -4.466 -11.759 13.870 1.00 25.00 C ATOM 1525 O ILE A 90 -5.417 -12.498 13.647 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.275 -10.764 11.902 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.984 -9.488 11.087 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.886 -11.839 10.955 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.787 -9.633 10.128 1.00 25.00 C ATOM 0 H ILE A 90 -2.789 -9.198 13.895 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.196 -10.107 12.640 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.342 -11.129 12.332 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.871 -9.224 10.511 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.792 -8.663 11.774 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.192 -12.042 10.139 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.066 -12.757 11.515 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.828 -11.472 10.547 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.639 -8.698 9.587 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.889 -9.867 10.700 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.985 -10.436 9.418 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.570 -12.014 14.813 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.620 -13.230 15.636 1.00 25.00 C ATOM 1543 C ASP A 91 -4.854 -13.262 16.546 1.00 25.00 C ATOM 1544 O ASP A 91 -5.246 -14.318 17.046 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.355 -13.304 16.494 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.160 -14.661 17.133 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.073 -15.669 16.400 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.031 -14.715 18.377 1.00 25.00 O ATOM 0 H ASP A 91 -2.791 -11.394 15.034 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.683 -14.087 14.965 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.488 -13.070 15.876 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.405 -12.544 17.274 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.455 -12.097 16.764 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.654 -11.966 17.601 1.00 25.00 C ATOM 1555 C LYS A 92 -7.716 -11.133 16.890 1.00 25.00 C ATOM 1556 O LYS A 92 -8.470 -10.387 17.519 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.279 -11.338 18.956 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.339 -12.208 19.803 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.071 -13.441 20.359 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.101 -14.511 20.842 1.00 25.00 C ATOM 1561 NZ LYS A 92 -4.430 -15.192 19.680 1.00 25.00 N ATOM 0 H LYS A 92 -5.129 -11.215 16.368 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.071 -12.957 17.780 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.805 -10.372 18.780 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.191 -11.147 19.522 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.491 -12.528 19.197 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -4.937 -11.618 20.627 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.716 -13.138 21.183 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.716 -13.859 19.586 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.348 -14.060 21.488 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.635 -15.248 21.441 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -4.460 -16.222 19.817 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -4.926 -14.945 18.800 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -3.440 -14.880 19.619 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.791 -11.278 15.576 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.776 -10.545 14.767 1.00 25.00 C ATOM 1577 C LYS A 93 -10.203 -10.944 15.140 1.00 25.00 C ATOM 1578 O LYS A 93 -11.122 -10.151 15.029 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.528 -10.792 13.271 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.586 -12.261 12.873 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.167 -12.485 11.437 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.732 -13.932 11.241 1.00 25.00 C ATOM 1583 NZ LYS A 93 -8.734 -14.912 11.805 1.00 25.00 N ATOM 0 H LYS A 93 -7.184 -11.896 15.038 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.657 -9.481 14.974 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.269 -10.239 12.693 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.551 -10.391 13.003 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -7.939 -12.839 13.532 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.600 -12.634 13.015 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -8.995 -12.252 10.767 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.349 -11.813 11.179 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.595 -14.127 10.177 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -6.766 -14.087 11.721 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -8.495 -15.874 11.489 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -8.711 -14.873 12.844 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -9.687 -14.665 11.471 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.381 -12.170 15.605 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.715 -12.691 15.931 1.00 25.00 C ATOM 1599 C GLU A 94 -12.342 -12.017 17.155 1.00 25.00 C ATOM 1600 O GLU A 94 -13.555 -12.040 17.312 1.00 25.00 O ATOM 1601 CB GLU A 94 -11.700 -14.223 16.128 1.00 25.00 C ATOM 1602 CG GLU A 94 -10.374 -14.833 16.605 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.325 -14.892 15.499 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.559 -15.521 14.445 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.313 -14.186 15.641 1.00 25.00 O ATOM 0 H GLU A 94 -9.621 -12.831 15.768 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.337 -12.450 15.069 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -12.475 -14.483 16.848 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -11.973 -14.693 15.183 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -9.987 -14.246 17.437 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -10.556 -15.839 16.982 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.530 -11.378 17.988 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.051 -10.640 19.150 1.00 25.00 C ATOM 1614 C VAL A 95 -11.848 -9.140 18.933 1.00 25.00 C ATOM 1615 O VAL A 95 -12.116 -8.325 19.808 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.401 -11.113 20.486 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.746 -12.588 20.749 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -9.880 -10.940 20.465 1.00 25.00 C ATOM 0 H VAL A 95 -10.515 -11.351 17.889 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.117 -10.848 19.238 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.804 -10.492 21.286 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.287 -12.908 21.684 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.828 -12.702 20.818 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.368 -13.201 19.931 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.462 -11.280 21.412 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.458 -11.528 19.650 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.635 -9.888 20.317 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.409 -8.789 17.735 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.230 -7.397 17.327 1.00 25.00 C ATOM 1630 C ASN A 96 -11.960 -7.209 15.994 1.00 25.00 C ATOM 1631 O ASN A 96 -11.332 -7.179 14.932 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.742 -7.077 17.155 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.051 -6.808 18.458 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.114 -5.706 18.979 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.360 -7.785 18.971 1.00 25.00 N ATOM 0 H ASN A 96 -11.164 -9.464 17.010 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.632 -6.727 18.087 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.251 -7.912 16.654 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.635 -6.208 16.506 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -7.845 -7.644 19.840 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.334 -8.691 18.504 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.297 -7.080 16.017 1.00 25.00 N ATOM 1643 CA PRO A 97 -13.985 -7.032 14.719 1.00 25.00 C ATOM 1644 C PRO A 97 -13.660 -5.801 13.871 1.00 25.00 C ATOM 1645 O PRO A 97 -13.820 -5.819 12.650 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.465 -7.063 15.116 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.493 -6.465 16.480 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.256 -7.016 17.136 1.00 25.00 C ATOM 0 HA PRO A 97 -13.673 -7.855 14.076 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.076 -6.491 14.418 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.855 -8.081 15.120 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.474 -5.376 16.440 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.395 -6.748 17.023 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.900 -6.369 17.938 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.433 -7.998 17.574 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.156 -4.749 14.500 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.796 -3.535 13.781 1.00 25.00 C ATOM 1658 C GLN A 98 -11.580 -3.798 12.899 1.00 25.00 C ATOM 1659 O GLN A 98 -11.488 -3.274 11.790 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.564 -2.353 14.753 1.00 25.00 C ATOM 1661 CG GLN A 98 -11.217 -2.310 15.528 1.00 25.00 C ATOM 1662 CD GLN A 98 -11.082 -3.360 16.633 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -11.995 -4.121 16.909 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -9.936 -3.405 17.251 1.00 25.00 N ATOM 0 H GLN A 98 -12.987 -4.711 15.505 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.626 -3.247 13.136 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.653 -1.428 14.184 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -13.372 -2.356 15.484 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -10.401 -2.442 14.818 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -11.099 -1.320 15.969 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -9.193 -2.754 16.996 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -9.782 -4.091 17.990 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.654 -4.624 13.377 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.486 -4.961 12.578 1.00 25.00 C ATOM 1675 C VAL A 99 -9.816 -6.116 11.644 1.00 25.00 C ATOM 1676 O VAL A 99 -9.282 -6.177 10.566 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.208 -5.230 13.435 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.129 -6.673 13.923 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -6.957 -4.883 12.622 1.00 25.00 C ATOM 0 H VAL A 99 -10.689 -5.064 14.297 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.235 -4.089 11.975 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.267 -4.594 14.318 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.223 -6.808 14.514 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -9.000 -6.897 14.538 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.107 -7.346 13.066 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -6.068 -5.072 13.224 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -6.925 -5.499 11.723 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -6.987 -3.831 12.340 1.00 25.00 H new ATOM 1689 N MET A 100 -10.732 -7.000 12.025 1.00 25.00 N ATOM 1690 CA MET A 100 -11.121 -8.119 11.157 1.00 25.00 C ATOM 1691 C MET A 100 -11.680 -7.594 9.840 1.00 25.00 C ATOM 1692 O MET A 100 -11.309 -8.059 8.766 1.00 25.00 O ATOM 1693 CB MET A 100 -12.161 -8.999 11.857 1.00 25.00 C ATOM 1694 CG MET A 100 -12.761 -10.097 10.982 1.00 25.00 C ATOM 1695 SD MET A 100 -11.516 -11.176 10.252 1.00 25.00 S ATOM 1696 CE MET A 100 -12.099 -11.240 8.527 1.00 25.00 C ATOM 0 H MET A 100 -11.219 -6.969 12.921 1.00 25.00 H new ATOM 0 HA MET A 100 -10.237 -8.721 10.949 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.698 -9.461 12.729 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.967 -8.364 12.223 1.00 25.00 H new ATOM 0 HG2 MET A 100 -13.447 -10.696 11.580 1.00 25.00 H new ATOM 0 HG3 MET A 100 -13.349 -9.639 10.186 1.00 25.00 H new ATOM 0 HE1 MET A 100 -11.841 -12.205 8.091 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.181 -11.108 8.503 1.00 25.00 H new ATOM 0 HE3 MET A 100 -11.624 -10.445 7.953 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.518 -6.573 9.910 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.049 -5.972 8.696 1.00 25.00 C ATOM 1708 C ALA A 101 -11.916 -5.340 7.871 1.00 25.00 C ATOM 1709 O ALA A 101 -11.979 -5.301 6.651 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.103 -4.924 9.056 1.00 25.00 C ATOM 0 H ALA A 101 -12.842 -6.148 10.779 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.518 -6.748 8.091 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.498 -4.477 8.144 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.914 -5.399 9.608 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.649 -4.149 9.673 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.870 -4.876 8.542 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.735 -4.267 7.867 1.00 25.00 C ATOM 1718 C ALA A 102 -8.865 -5.347 7.208 1.00 25.00 C ATOM 1719 O ALA A 102 -8.254 -5.094 6.186 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.910 -3.426 8.864 1.00 25.00 C ATOM 0 H ALA A 102 -10.786 -4.911 9.558 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.103 -3.604 7.084 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.063 -2.975 8.346 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.538 -2.641 9.284 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.545 -4.067 9.666 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.836 -6.551 7.772 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.083 -7.665 7.174 1.00 25.00 C ATOM 1728 C VAL A 103 -8.699 -7.952 5.813 1.00 25.00 C ATOM 1729 O VAL A 103 -7.996 -8.020 4.805 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.144 -8.970 8.061 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.445 -10.152 7.375 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.493 -8.731 9.426 1.00 25.00 C ATOM 0 H VAL A 103 -9.321 -6.786 8.638 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.034 -7.381 7.093 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.198 -9.214 8.195 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.507 -11.032 8.015 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.933 -10.360 6.423 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.398 -9.904 7.200 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.547 -9.644 10.020 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.449 -8.450 9.287 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -8.019 -7.929 9.945 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.021 -8.068 5.786 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.735 -8.346 4.546 1.00 25.00 C ATOM 1744 C ALA A 104 -10.564 -7.192 3.556 1.00 25.00 C ATOM 1745 O ALA A 104 -10.254 -7.409 2.395 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.221 -8.589 4.841 1.00 25.00 C ATOM 0 H ALA A 104 -10.619 -7.974 6.607 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.316 -9.245 4.094 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.748 -8.796 3.909 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.324 -9.441 5.513 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.648 -7.703 5.310 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.738 -5.967 4.028 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.605 -4.807 3.153 1.00 25.00 C ATOM 1754 C GLN A 105 -9.203 -4.679 2.581 1.00 25.00 C ATOM 1755 O GLN A 105 -9.045 -4.329 1.422 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.962 -3.525 3.900 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.463 -3.301 4.016 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.807 -2.000 4.708 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.936 -1.217 5.063 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -14.077 -1.759 4.895 1.00 25.00 N ATOM 0 H GLN A 105 -10.968 -5.749 4.997 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.299 -4.957 2.326 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.528 -3.560 4.899 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.512 -2.675 3.387 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.905 -3.306 3.020 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.909 -4.130 4.567 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -14.775 -2.435 4.586 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -14.370 -0.895 5.350 1.00 25.00 H new ATOM 1769 N THR A 106 -8.173 -4.967 3.363 1.00 25.00 N ATOM 1770 CA THR A 106 -6.821 -4.825 2.849 1.00 25.00 C ATOM 1771 C THR A 106 -6.587 -5.897 1.793 1.00 25.00 C ATOM 1772 O THR A 106 -5.972 -5.627 0.775 1.00 25.00 O ATOM 1773 CB THR A 106 -5.765 -4.915 3.963 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.109 -4.030 5.021 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.400 -4.495 3.467 1.00 25.00 C ATOM 0 H THR A 106 -8.243 -5.291 4.328 1.00 25.00 H new ATOM 0 HA THR A 106 -6.718 -3.834 2.406 1.00 25.00 H new ATOM 0 HB THR A 106 -5.737 -5.952 4.297 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.669 -4.501 5.673 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.678 -4.571 4.280 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.094 -5.146 2.648 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.442 -3.464 3.114 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.133 -7.091 1.987 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.023 -8.139 0.971 1.00 25.00 C ATOM 1785 C GLU A 107 -7.682 -7.717 -0.345 1.00 25.00 C ATOM 1786 O GLU A 107 -7.162 -8.012 -1.421 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.678 -9.438 1.436 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.805 -10.295 2.325 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.309 -11.733 2.430 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.226 -12.119 1.672 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.722 -12.503 3.226 1.00 25.00 O ATOM 0 H GLU A 107 -7.650 -7.359 2.824 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.957 -8.300 0.812 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.595 -9.196 1.973 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.965 -10.020 0.560 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.787 -10.298 1.935 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.763 -9.854 3.321 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.818 -7.039 -0.271 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.514 -6.570 -1.475 1.00 25.00 C ATOM 1800 C GLU A 108 -8.689 -5.501 -2.190 1.00 25.00 C ATOM 1801 O GLU A 108 -8.488 -5.556 -3.405 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.876 -5.968 -1.106 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.896 -6.978 -0.599 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.186 -6.308 -0.139 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.137 -5.485 0.808 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.248 -6.593 -0.729 1.00 25.00 O ATOM 0 H GLU A 108 -9.282 -6.798 0.605 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.654 -7.427 -2.133 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.727 -5.206 -0.341 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.286 -5.465 -1.982 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.121 -7.693 -1.390 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.466 -7.543 0.228 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.202 -4.535 -1.426 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.436 -3.412 -1.977 1.00 25.00 C ATOM 1815 C ILE A 109 -6.136 -3.921 -2.601 1.00 25.00 C ATOM 1816 O ILE A 109 -5.719 -3.452 -3.654 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.122 -2.354 -0.865 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.431 -1.735 -0.333 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.214 -1.220 -1.407 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.307 -1.132 1.076 1.00 25.00 C ATOM 0 H ILE A 109 -8.322 -4.501 -0.414 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.037 -2.930 -2.748 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.599 -2.870 -0.059 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.760 -0.958 -1.023 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.206 -2.501 -0.323 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -6.014 -0.502 -0.611 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.273 -1.644 -1.758 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.715 -0.716 -2.233 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.268 -0.717 1.380 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -8.009 -1.909 1.779 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.556 -0.342 1.069 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.510 -4.907 -1.978 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.259 -5.460 -2.489 1.00 25.00 C ATOM 1834 C LEU A 110 -4.433 -6.091 -3.862 1.00 25.00 C ATOM 1835 O LEU A 110 -3.569 -5.943 -4.714 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.712 -6.499 -1.511 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.625 -6.018 -0.534 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.855 -4.612 0.055 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.505 -7.042 0.590 1.00 25.00 C ATOM 0 H LEU A 110 -5.845 -5.343 -1.118 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.553 -4.636 -2.590 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.546 -6.890 -0.928 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.308 -7.331 -2.088 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.703 -5.933 -1.109 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -2.037 -4.362 0.731 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.894 -3.881 -0.753 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.797 -4.597 0.604 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.739 -6.720 1.295 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.461 -7.128 1.107 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.230 -8.010 0.172 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.558 -6.757 -4.092 1.00 25.00 N ATOM 1852 CA LYS A 111 -5.825 -7.371 -5.395 1.00 25.00 C ATOM 1853 C LYS A 111 -6.161 -6.331 -6.458 1.00 25.00 C ATOM 1854 O LYS A 111 -6.015 -6.583 -7.646 1.00 25.00 O ATOM 1855 CB LYS A 111 -6.970 -8.347 -5.260 1.00 25.00 C ATOM 1856 CG LYS A 111 -6.619 -9.520 -4.378 1.00 25.00 C ATOM 1857 CD LYS A 111 -7.849 -10.295 -4.107 1.00 25.00 C ATOM 1858 CE LYS A 111 -7.592 -11.411 -3.108 1.00 25.00 C ATOM 1859 NZ LYS A 111 -7.967 -10.976 -1.728 1.00 25.00 N ATOM 0 H LYS A 111 -6.297 -6.887 -3.402 1.00 25.00 H new ATOM 0 HA LYS A 111 -4.920 -7.888 -5.715 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -7.838 -7.832 -4.848 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.254 -8.710 -6.248 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -5.875 -10.150 -4.866 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -6.178 -9.172 -3.444 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -8.622 -9.630 -3.721 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -8.227 -10.718 -5.038 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -8.166 -12.295 -3.386 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -6.540 -11.694 -3.133 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -7.212 -11.241 -1.063 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -8.095 -9.944 -1.712 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.855 -11.439 -1.447 1.00 25.00 H new ATOM 1873 N SER A 112 -6.625 -5.171 -6.021 1.00 25.00 N ATOM 1874 CA SER A 112 -6.958 -4.074 -6.932 1.00 25.00 C ATOM 1875 C SER A 112 -5.713 -3.272 -7.299 1.00 25.00 C ATOM 1876 O SER A 112 -5.699 -2.533 -8.282 1.00 25.00 O ATOM 1877 CB SER A 112 -7.971 -3.142 -6.274 1.00 25.00 C ATOM 1878 OG SER A 112 -8.463 -2.194 -7.207 1.00 25.00 O ATOM 0 H SER A 112 -6.782 -4.959 -5.036 1.00 25.00 H new ATOM 0 HA SER A 112 -7.381 -4.506 -7.839 1.00 25.00 H new ATOM 0 HB2 SER A 112 -8.799 -3.725 -5.870 1.00 25.00 H new ATOM 0 HB3 SER A 112 -7.505 -2.625 -5.435 1.00 25.00 H new ATOM 0 HG SER A 112 -9.112 -1.607 -6.766 1.00 25.00 H new ATOM 1884 N ASN A 113 -4.685 -3.390 -6.473 1.00 25.00 N ATOM 1885 CA ASN A 113 -3.435 -2.663 -6.677 1.00 25.00 C ATOM 1886 C ASN A 113 -2.538 -3.403 -7.664 1.00 25.00 C ATOM 1887 O ASN A 113 -2.741 -4.574 -7.956 1.00 25.00 O ATOM 1888 CB ASN A 113 -2.686 -2.502 -5.346 1.00 25.00 C ATOM 1889 CG ASN A 113 -3.286 -1.438 -4.464 1.00 25.00 C ATOM 1890 OD1 ASN A 113 -3.894 -0.497 -4.932 1.00 25.00 O ATOM 1891 ND2 ASN A 113 -3.070 -1.558 -3.184 1.00 25.00 N ATOM 0 H ASN A 113 -4.690 -3.988 -5.646 1.00 25.00 H new ATOM 0 HA ASN A 113 -3.681 -1.680 -7.079 1.00 25.00 H new ATOM 0 HB2 ASN A 113 -2.691 -3.453 -4.814 1.00 25.00 H new ATOM 0 HB3 ASN A 113 -1.644 -2.255 -5.548 1.00 25.00 H new ATOM 0 HD21 ASN A 113 -3.416 -0.847 -2.540 1.00 25.00 H new ATOM 0 HD22 ASN A 113 -2.555 -2.363 -2.827 1.00 25.00 H new ATOM 1898 N SER A 114 -1.503 -2.720 -8.131 1.00 25.00 N ATOM 1899 CA SER A 114 -0.528 -3.310 -9.039 1.00 25.00 C ATOM 1900 C SER A 114 0.842 -2.762 -8.668 1.00 25.00 C ATOM 1901 O SER A 114 0.939 -1.746 -7.984 1.00 25.00 O ATOM 1902 CB SER A 114 -0.876 -2.960 -10.489 1.00 25.00 C ATOM 1903 OG SER A 114 0.038 -3.561 -11.396 1.00 25.00 O ATOM 0 H SER A 114 -1.315 -1.746 -7.893 1.00 25.00 H new ATOM 0 HA SER A 114 -0.533 -4.397 -8.952 1.00 25.00 H new ATOM 0 HB2 SER A 114 -1.889 -3.295 -10.714 1.00 25.00 H new ATOM 0 HB3 SER A 114 -0.862 -1.878 -10.618 1.00 25.00 H new ATOM 0 HG SER A 114 -0.208 -3.323 -12.314 1.00 25.00 H new ATOM 1909 N GLN A 115 1.891 -3.437 -9.111 1.00 25.00 N ATOM 1910 CA GLN A 115 3.269 -3.015 -8.849 1.00 25.00 C ATOM 1911 C GLN A 115 4.006 -2.922 -10.180 1.00 25.00 C ATOM 1912 O GLN A 115 5.097 -3.460 -10.344 1.00 25.00 O ATOM 1913 CB GLN A 115 3.977 -3.996 -7.905 1.00 25.00 C ATOM 1914 CG GLN A 115 3.401 -4.021 -6.496 1.00 25.00 C ATOM 1915 CD GLN A 115 4.253 -4.836 -5.549 1.00 25.00 C ATOM 1916 OE1 GLN A 115 5.276 -4.377 -5.057 1.00 25.00 O ATOM 1917 NE2 GLN A 115 3.840 -6.042 -5.291 1.00 25.00 N ATOM 0 H GLN A 115 1.818 -4.292 -9.662 1.00 25.00 H new ATOM 0 HA GLN A 115 3.264 -2.042 -8.358 1.00 25.00 H new ATOM 0 HB2 GLN A 115 3.919 -4.999 -8.329 1.00 25.00 H new ATOM 0 HB3 GLN A 115 5.034 -3.734 -7.850 1.00 25.00 H new ATOM 0 HG2 GLN A 115 3.317 -3.001 -6.121 1.00 25.00 H new ATOM 0 HG3 GLN A 115 2.393 -4.435 -6.524 1.00 25.00 H new ATOM 0 HE21 GLN A 115 2.982 -6.390 -5.720 1.00 25.00 H new ATOM 0 HE22 GLN A 115 4.374 -6.640 -4.660 1.00 25.00 H new ATOM 1926 N THR A 116 3.378 -2.252 -11.133 1.00 25.00 N ATOM 1927 CA THR A 116 3.962 -2.052 -12.456 1.00 25.00 C ATOM 1928 C THR A 116 4.373 -0.595 -12.552 1.00 25.00 C ATOM 1929 O THR A 116 3.900 0.231 -11.771 1.00 25.00 O ATOM 1930 CB THR A 116 2.957 -2.420 -13.596 1.00 25.00 C ATOM 1931 OG1 THR A 116 3.636 -2.424 -14.856 1.00 25.00 O ATOM 1932 CG2 THR A 116 1.785 -1.440 -13.675 1.00 25.00 C ATOM 0 H THR A 116 2.455 -1.833 -11.016 1.00 25.00 H new ATOM 0 HA THR A 116 4.823 -2.708 -12.583 1.00 25.00 H new ATOM 0 HB THR A 116 2.560 -3.409 -13.366 1.00 25.00 H new ATOM 0 HG1 THR A 116 3.760 -1.502 -15.163 1.00 25.00 H new ATOM 0 HG21 THR A 116 1.115 -1.738 -14.482 1.00 25.00 H new ATOM 0 HG22 THR A 116 1.241 -1.447 -12.731 1.00 25.00 H new ATOM 0 HG23 THR A 116 2.163 -0.436 -13.869 1.00 25.00 H new ATOM 1940 N ASP A 117 5.256 -0.304 -13.500 1.00 25.00 N ATOM 1941 CA ASP A 117 5.707 1.058 -13.819 1.00 25.00 C ATOM 1942 C ASP A 117 6.272 1.809 -12.609 1.00 25.00 C ATOM 1943 O ASP A 117 6.243 3.038 -12.550 1.00 25.00 O ATOM 1944 CB ASP A 117 4.557 1.856 -14.456 1.00 25.00 C ATOM 1945 CG ASP A 117 3.936 1.143 -15.656 1.00 25.00 C ATOM 1946 OD1 ASP A 117 4.580 0.232 -16.231 1.00 25.00 O ATOM 1947 OD2 ASP A 117 2.783 1.471 -16.003 1.00 25.00 O ATOM 0 H ASP A 117 5.691 -1.018 -14.084 1.00 25.00 H new ATOM 0 HA ASP A 117 6.528 0.959 -14.529 1.00 25.00 H new ATOM 0 HB2 ASP A 117 3.786 2.035 -13.706 1.00 25.00 H new ATOM 0 HB3 ASP A 117 4.928 2.831 -14.771 1.00 25.00 H new ATOM 1952 N LEU A 118 6.769 1.071 -11.625 1.00 25.00 N ATOM 1953 CA LEU A 118 7.267 1.700 -10.410 1.00 25.00 C ATOM 1954 C LEU A 118 8.569 2.427 -10.679 1.00 25.00 C ATOM 1955 O LEU A 118 9.507 1.895 -11.270 1.00 25.00 O ATOM 1956 CB LEU A 118 7.501 0.688 -9.295 1.00 25.00 C ATOM 1957 CG LEU A 118 6.322 -0.195 -8.853 1.00 25.00 C ATOM 1958 CD1 LEU A 118 6.802 -1.143 -7.751 1.00 25.00 C ATOM 1959 CD2 LEU A 118 5.146 0.641 -8.339 1.00 25.00 C ATOM 0 H LEU A 118 6.838 0.053 -11.643 1.00 25.00 H new ATOM 0 HA LEU A 118 6.500 2.405 -10.089 1.00 25.00 H new ATOM 0 HB2 LEU A 118 8.311 0.029 -9.609 1.00 25.00 H new ATOM 0 HB3 LEU A 118 7.855 1.233 -8.420 1.00 25.00 H new ATOM 0 HG LEU A 118 5.970 -0.758 -9.717 1.00 25.00 H new ATOM 0 HD11 LEU A 118 5.974 -1.775 -7.429 1.00 25.00 H new ATOM 0 HD12 LEU A 118 7.608 -1.768 -8.135 1.00 25.00 H new ATOM 0 HD13 LEU A 118 7.166 -0.562 -6.904 1.00 25.00 H new ATOM 0 HD21 LEU A 118 4.334 -0.020 -8.037 1.00 25.00 H new ATOM 0 HD22 LEU A 118 5.468 1.235 -7.483 1.00 25.00 H new ATOM 0 HD23 LEU A 118 4.798 1.305 -9.131 1.00 25.00 H new ATOM 1971 N GLU A 119 8.620 3.645 -10.189 1.00 25.00 N ATOM 1972 CA GLU A 119 9.774 4.513 -10.342 1.00 25.00 C ATOM 1973 C GLU A 119 9.756 5.502 -9.185 1.00 25.00 C ATOM 1974 O GLU A 119 8.775 5.591 -8.453 1.00 25.00 O ATOM 1975 CB GLU A 119 9.730 5.247 -11.686 1.00 25.00 C ATOM 1976 CG GLU A 119 8.474 6.085 -11.910 1.00 25.00 C ATOM 1977 CD GLU A 119 8.543 6.879 -13.201 1.00 25.00 C ATOM 1978 OE1 GLU A 119 9.664 7.038 -13.734 1.00 25.00 O ATOM 1979 OE2 GLU A 119 7.544 7.558 -13.532 1.00 25.00 O ATOM 0 H GLU A 119 7.854 4.069 -9.666 1.00 25.00 H new ATOM 0 HA GLU A 119 10.694 3.928 -10.329 1.00 25.00 H new ATOM 0 HB2 GLU A 119 10.602 5.896 -11.759 1.00 25.00 H new ATOM 0 HB3 GLU A 119 9.810 4.514 -12.489 1.00 25.00 H new ATOM 0 HG2 GLU A 119 7.602 5.432 -11.932 1.00 25.00 H new ATOM 0 HG3 GLU A 119 8.339 6.768 -11.071 1.00 25.00 H new ATOM 1986 N HIS A 120 10.855 6.217 -8.981 1.00 25.00 N ATOM 1987 CA HIS A 120 10.985 7.086 -7.807 1.00 25.00 C ATOM 1988 C HIS A 120 11.640 8.446 -8.076 1.00 25.00 C ATOM 1989 O HIS A 120 12.518 8.878 -7.330 1.00 25.00 O ATOM 1990 CB HIS A 120 11.738 6.315 -6.707 1.00 25.00 C ATOM 1991 CG HIS A 120 12.977 5.625 -7.192 1.00 25.00 C ATOM 1992 ND1 HIS A 120 14.210 6.264 -7.354 1.00 25.00 N ATOM 1993 CD2 HIS A 120 13.210 4.332 -7.552 1.00 25.00 C ATOM 1994 CE1 HIS A 120 15.099 5.375 -7.785 1.00 25.00 C ATOM 1995 NE2 HIS A 120 14.517 4.211 -7.910 1.00 25.00 N ATOM 0 H HIS A 120 11.664 6.217 -9.603 1.00 25.00 H new ATOM 0 HA HIS A 120 9.974 7.338 -7.487 1.00 25.00 H new ATOM 0 HB2 HIS A 120 12.008 7.008 -5.910 1.00 25.00 H new ATOM 0 HB3 HIS A 120 11.067 5.574 -6.272 1.00 25.00 H new ATOM 0 HD2 HIS A 120 12.480 3.536 -7.553 1.00 25.00 H new ATOM 0 HE1 HIS A 120 16.137 5.581 -7.998 1.00 25.00 H new ATOM 0 HE2 HIS A 120 14.969 3.352 -8.225 1.00 25.00 H new ATOM 2003 N HIS A 121 11.180 9.161 -9.096 1.00 25.00 N ATOM 2004 CA HIS A 121 11.675 10.531 -9.353 1.00 25.00 C ATOM 2005 C HIS A 121 10.878 11.579 -8.548 1.00 25.00 C ATOM 2006 O HIS A 121 10.413 12.584 -9.084 1.00 25.00 O ATOM 2007 CB HIS A 121 11.674 10.861 -10.860 1.00 25.00 C ATOM 2008 CG HIS A 121 10.356 10.645 -11.540 1.00 25.00 C ATOM 2009 ND1 HIS A 121 9.300 11.562 -11.512 1.00 25.00 N ATOM 2010 CD2 HIS A 121 9.899 9.627 -12.308 1.00 25.00 C ATOM 2011 CE1 HIS A 121 8.290 11.072 -12.223 1.00 25.00 C ATOM 2012 NE2 HIS A 121 8.634 9.913 -12.703 1.00 25.00 N ATOM 0 H HIS A 121 10.476 8.832 -9.756 1.00 25.00 H new ATOM 0 HA HIS A 121 12.709 10.571 -9.011 1.00 25.00 H new ATOM 0 HB2 HIS A 121 11.971 11.901 -10.992 1.00 25.00 H new ATOM 0 HB3 HIS A 121 12.429 10.249 -11.354 1.00 25.00 H new ATOM 0 HD2 HIS A 121 10.451 8.735 -12.563 1.00 25.00 H new ATOM 0 HE1 HIS A 121 7.338 11.557 -12.377 1.00 25.00 H new ATOM 0 HE2 HIS A 121 8.046 9.315 -13.284 1.00 25.00 H new ATOM 2020 N HIS A 122 10.713 11.334 -7.254 1.00 25.00 N ATOM 2021 CA HIS A 122 9.982 12.252 -6.374 1.00 25.00 C ATOM 2022 C HIS A 122 10.531 12.099 -4.960 1.00 25.00 C ATOM 2023 O HIS A 122 10.825 10.990 -4.543 1.00 25.00 O ATOM 2024 CB HIS A 122 8.483 11.913 -6.391 1.00 25.00 C ATOM 2025 CG HIS A 122 7.614 12.988 -5.813 1.00 25.00 C ATOM 2026 ND1 HIS A 122 7.034 14.006 -6.577 1.00 25.00 N ATOM 2027 CD2 HIS A 122 7.187 13.227 -4.543 1.00 25.00 C ATOM 2028 CE1 HIS A 122 6.316 14.786 -5.777 1.00 25.00 C ATOM 2029 NE2 HIS A 122 6.397 14.336 -4.553 1.00 25.00 N ATOM 0 H HIS A 122 11.076 10.504 -6.784 1.00 25.00 H new ATOM 0 HA HIS A 122 10.109 13.279 -6.717 1.00 25.00 H new ATOM 0 HB2 HIS A 122 8.175 11.723 -7.419 1.00 25.00 H new ATOM 0 HB3 HIS A 122 8.322 10.990 -5.834 1.00 25.00 H new ATOM 0 HD2 HIS A 122 7.433 12.636 -3.673 1.00 25.00 H new ATOM 0 HE1 HIS A 122 5.754 15.654 -6.089 1.00 25.00 H new ATOM 0 HE2 HIS A 122 5.943 14.748 -3.738 1.00 25.00 H new ATOM 2037 N HIS A 123 10.651 13.197 -4.224 1.00 25.00 N ATOM 2038 CA HIS A 123 11.119 13.152 -2.833 1.00 25.00 C ATOM 2039 C HIS A 123 9.989 13.607 -1.916 1.00 25.00 C ATOM 2040 O HIS A 123 9.229 14.509 -2.260 1.00 25.00 O ATOM 2041 CB HIS A 123 12.346 14.060 -2.644 1.00 25.00 C ATOM 2042 CG HIS A 123 13.606 13.314 -2.313 1.00 25.00 C ATOM 2043 ND1 HIS A 123 13.926 12.862 -1.027 1.00 25.00 N ATOM 2044 CD2 HIS A 123 14.664 12.934 -3.081 1.00 25.00 C ATOM 2045 CE1 HIS A 123 15.104 12.256 -1.065 1.00 25.00 C ATOM 2046 NE2 HIS A 123 15.564 12.288 -2.287 1.00 25.00 N ATOM 0 H HIS A 123 10.432 14.134 -4.563 1.00 25.00 H new ATOM 0 HA HIS A 123 11.410 12.131 -2.585 1.00 25.00 H new ATOM 0 HB2 HIS A 123 12.504 14.636 -3.556 1.00 25.00 H new ATOM 0 HB3 HIS A 123 12.138 14.775 -1.848 1.00 25.00 H new ATOM 0 HD1 HIS A 123 13.347 12.980 -0.196 1.00 25.00 H new ATOM 0 HD2 HIS A 123 14.772 13.114 -4.140 1.00 25.00 H new ATOM 0 HE1 HIS A 123 15.604 11.807 -0.220 1.00 25.00 H new ATOM 2054 N HIS A 124 9.882 12.968 -0.762 1.00 25.00 N ATOM 2055 CA HIS A 124 8.904 13.314 0.276 1.00 25.00 C ATOM 2056 C HIS A 124 9.566 12.741 1.516 1.00 25.00 C ATOM 2057 O HIS A 124 9.631 11.525 1.641 1.00 25.00 O ATOM 2058 CB HIS A 124 7.545 12.646 0.008 1.00 25.00 C ATOM 2059 CG HIS A 124 6.503 12.958 1.039 1.00 25.00 C ATOM 2060 ND1 HIS A 124 5.616 12.005 1.557 1.00 25.00 N ATOM 2061 CD2 HIS A 124 6.161 14.119 1.663 1.00 25.00 C ATOM 2062 CE1 HIS A 124 4.814 12.598 2.432 1.00 25.00 C ATOM 2063 NE2 HIS A 124 5.125 13.867 2.510 1.00 25.00 N ATOM 0 H HIS A 124 10.479 12.180 -0.509 1.00 25.00 H new ATOM 0 HA HIS A 124 8.682 14.379 0.342 1.00 25.00 H new ATOM 0 HB2 HIS A 124 7.182 12.963 -0.970 1.00 25.00 H new ATOM 0 HB3 HIS A 124 7.685 11.566 -0.039 1.00 25.00 H new ATOM 0 HD2 HIS A 124 6.632 15.079 1.512 1.00 25.00 H new ATOM 0 HE1 HIS A 124 4.029 12.111 2.991 1.00 25.00 H new ATOM 0 HE2 HIS A 124 4.666 14.555 3.108 1.00 25.00 H new ATOM 2071 N HIS A 125 10.193 13.613 2.305 1.00 25.00 N ATOM 2072 CA HIS A 125 11.224 13.214 3.285 1.00 25.00 C ATOM 2073 C HIS A 125 12.357 12.647 2.408 1.00 25.00 C ATOM 2074 O HIS A 125 12.371 13.045 1.216 1.00 25.00 O ATOM 2075 CB HIS A 125 10.701 12.206 4.339 1.00 25.00 C ATOM 2076 CG HIS A 125 11.554 12.110 5.572 1.00 25.00 C ATOM 2077 ND1 HIS A 125 12.881 11.681 5.555 1.00 25.00 N ATOM 2078 CD2 HIS A 125 11.294 12.367 6.883 1.00 25.00 C ATOM 2079 CE1 HIS A 125 13.355 11.689 6.795 1.00 25.00 C ATOM 2080 NE2 HIS A 125 12.416 12.098 7.607 1.00 25.00 N ATOM 2081 OXT HIS A 125 13.202 11.869 2.877 1.00 25.00 O ATOM 0 H HIS A 125 10.007 14.616 2.289 1.00 25.00 H new ATOM 0 HA HIS A 125 11.559 14.049 3.901 1.00 25.00 H new ATOM 0 HB2 HIS A 125 9.691 12.493 4.631 1.00 25.00 H new ATOM 0 HB3 HIS A 125 10.632 11.220 3.880 1.00 25.00 H new ATOM 0 HD1 HIS A 125 13.403 11.405 4.723 1.00 25.00 H new ATOM 0 HD2 HIS A 125 10.356 12.724 7.282 1.00 25.00 H new ATOM 0 HE1 HIS A 125 14.355 11.404 7.086 1.00 25.00 H new TER 2089 HIS A 125