USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 ASN : amide:sc= 0.555 K(o=1.7,f=1.1) USER MOD Set 1.2: A 139 TYR OH : rot 133:sc= 1.1 USER MOD Set 2.1: A 126 LYS NZ :NH3+ 167:sc= -0.32 (180deg=0) USER MOD Set 2.2: A 128 ASN : amide:sc= -0.574 K(o=-0.89,f=-3.9!) USER MOD Set 3.1: A 116 HIS : no HE2:sc= 0.814 K(o=0.87,f=-2.8!) USER MOD Set 3.2: A 119 LYS NZ :NH3+ -124:sc= 0.0575 (180deg=0) USER MOD Set 4.1: A 113 SER OG : rot 75:sc= 0.735 USER MOD Set 4.2: A 115 LYS NZ :NH3+ 180:sc= 0.288 (180deg=-0.017) USER MOD Set 5.1: A 29 TYR OH : rot 149:sc= 0.695 USER MOD Set 5.2: A 31 SER OG : rot -24:sc= 3.01 USER MOD Set 5.3: A 108 TYR OH : rot -13:sc= 1.18 USER MOD Set 6.1: A 90 SER OG : rot -137:sc= 1.11 USER MOD Set 6.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 6.3: A 94 ASN : amide:sc= -0.58 K(o=0.53,f=-8.6!) USER MOD Set 7.1: A 48 THR OG1 : rot 180:sc= 0.0343 USER MOD Set 7.2: A 52 SER OG : rot 180:sc= -0.208 USER MOD Single : A 30 CYS SG : rot 110:sc= 0.56 USER MOD Single : A 32 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.2) USER MOD Single : A 35 HIS : no HD1:sc= 0.253 K(o=0.25,f=-2) USER MOD Single : A 44 THR OG1 : rot -179:sc= 0.00624 USER MOD Single : A 54 GLN : amide:sc= -1.21 K(o=-1.2,f=-3.3!) USER MOD Single : A 55 HIS : no HD1:sc= -0.0821 K(o=-0.082,f=-3.9!) USER MOD Single : A 57 GLN : amide:sc= -0.0772 K(o=-0.077,f=-7.3!) USER MOD Single : A 59 GLN : amide:sc= -0.629 K(o=-0.63,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 145:sc= 0.97 USER MOD Single : A 71 LYS NZ :NH3+ -116:sc= 0 (180deg=-1.03) USER MOD Single : A 72 SER OG : rot 28:sc= -2.26! USER MOD Single : A 73 THR OG1 : rot 170:sc= -0.899 USER MOD Single : A 75 THR OG1 : rot -170:sc= 0.0301 USER MOD Single : A 77 GLN : amide:sc= 0.421 K(o=0.42,f=-1.3) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 173:sc= -0.0657 (180deg=-0.151) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0916 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 CYS SG : rot 40:sc= -2.78! USER MOD Single : A 107 HIS : no HD1:sc= -0.0202 X(o=-0.02,f=-0.27) USER MOD Single : A 109 ASN : amide:sc=-0.00979 K(o=-0.0098,f=-3.6!) USER MOD Single : A 110 THR OG1 : rot -133:sc= 1.21 USER MOD Single : A 111 TYR OH : rot 90:sc= -0.188 USER MOD Single : A 114 LYS NZ :NH3+ -166:sc= 0.129 (180deg=0.0718) USER MOD Single : A 120 ASN : amide:sc= -6.47! K(o=-6.5!,f=-2.8) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 SER OG : rot 75:sc= 0.553 USER MOD Single : A 131 CYS SG : rot -30:sc= 0.534 USER MOD Single : A 132 LYS NZ :NH3+ 176:sc= -0.0315 (180deg=-0.0586) USER MOD Single : A 137 THR OG1 : rot 144:sc= 1.33 USER MOD Single : A 138 HIS : no HD1:sc=-0.00167 X(o=-0.0017,f=-0.044) USER MOD Single : A 141 GLN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 26 1.615 -5.173 11.451 1.00 0.00 N ATOM 12 CA ALA A 26 2.235 -5.323 10.131 1.00 0.00 C ATOM 13 C ALA A 26 3.095 -4.133 9.681 1.00 0.00 C ATOM 14 O ALA A 26 2.935 -3.023 10.181 1.00 0.00 O ATOM 15 CB ALA A 26 1.175 -5.633 9.061 1.00 0.00 C ATOM 0 HA ALA A 26 2.921 -6.163 10.241 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.659 -5.740 8.090 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.662 -6.561 9.315 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.452 -4.818 9.018 1.00 0.00 H new ATOM 16 N LEU A 27 4.075 -4.493 8.861 1.00 0.00 N ATOM 17 CA LEU A 27 4.945 -3.543 8.131 1.00 0.00 C ATOM 18 C LEU A 27 4.985 -3.803 6.631 1.00 0.00 C ATOM 19 O LEU A 27 4.865 -4.943 6.181 1.00 0.00 O ATOM 20 CB LEU A 27 6.375 -3.593 8.691 1.00 0.00 C ATOM 21 CG LEU A 27 6.585 -2.563 9.791 1.00 0.00 C ATOM 22 CD1 LEU A 27 7.855 -2.913 10.581 1.00 0.00 C ATOM 23 CD2 LEU A 27 6.695 -1.173 9.161 1.00 0.00 C ATOM 0 H LEU A 27 4.302 -5.469 8.673 1.00 0.00 H new ATOM 0 HA LEU A 27 4.513 -2.554 8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.578 -4.590 9.082 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.088 -3.416 7.886 1.00 0.00 H new ATOM 0 HG LEU A 27 5.740 -2.567 10.480 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.007 -2.176 11.370 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.746 -3.903 11.025 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.714 -2.909 9.910 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.846 -0.430 9.944 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.540 -1.151 8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.778 -0.946 8.617 1.00 0.00 H new ATOM 24 N LEU A 28 5.135 -2.713 5.881 1.00 0.00 N ATOM 25 CA LEU A 28 5.135 -2.763 4.411 1.00 0.00 C ATOM 26 C LEU A 28 6.395 -2.123 3.831 1.00 0.00 C ATOM 27 O LEU A 28 6.615 -0.913 3.941 1.00 0.00 O ATOM 28 CB LEU A 28 3.885 -2.013 3.951 1.00 0.00 C ATOM 29 CG LEU A 28 3.385 -2.473 2.571 1.00 0.00 C ATOM 30 CD1 LEU A 28 3.045 -3.973 2.551 1.00 0.00 C ATOM 31 CD2 LEU A 28 2.135 -1.673 2.191 1.00 0.00 C ATOM 0 H LEU A 28 5.259 -1.776 6.265 1.00 0.00 H new ATOM 0 HA LEU A 28 5.127 -3.796 4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.092 -2.155 4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.100 -0.945 3.916 1.00 0.00 H new ATOM 0 HG LEU A 28 4.187 -2.300 1.854 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.696 -4.254 1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.935 -4.551 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.263 -4.179 3.282 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.779 -1.997 1.213 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.356 -1.840 2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.380 -0.611 2.154 1.00 0.00 H new ATOM 32 N TYR A 29 7.235 -2.983 3.281 1.00 0.00 N ATOM 33 CA TYR A 29 8.505 -2.603 2.641 1.00 0.00 C ATOM 34 C TYR A 29 8.355 -2.603 1.111 1.00 0.00 C ATOM 35 O TYR A 29 7.485 -3.283 0.561 1.00 0.00 O ATOM 36 CB TYR A 29 9.525 -3.623 3.151 1.00 0.00 C ATOM 37 CG TYR A 29 10.855 -3.693 2.401 1.00 0.00 C ATOM 38 CD1 TYR A 29 11.695 -2.563 2.291 1.00 0.00 C ATOM 39 CD2 TYR A 29 11.145 -4.903 1.741 1.00 0.00 C ATOM 40 CE1 TYR A 29 12.815 -2.623 1.451 1.00 0.00 C ATOM 41 CE2 TYR A 29 12.265 -4.973 0.911 1.00 0.00 C ATOM 42 CZ TYR A 29 13.075 -3.823 0.751 1.00 0.00 C ATOM 43 OH TYR A 29 13.995 -3.853 -0.249 1.00 0.00 O ATOM 0 H TYR A 29 7.059 -3.988 3.261 1.00 0.00 H new ATOM 0 HA TYR A 29 8.826 -1.591 2.889 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.735 -3.401 4.197 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.064 -4.610 3.121 1.00 0.00 H new ATOM 0 HD1 TYR A 29 11.477 -1.664 2.848 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.509 -5.765 1.875 1.00 0.00 H new ATOM 0 HE1 TYR A 29 13.467 -1.769 1.341 1.00 0.00 H new ATOM 0 HE2 TYR A 29 12.510 -5.891 0.398 1.00 0.00 H new ATOM 0 HH TYR A 29 14.409 -4.740 -0.286 1.00 0.00 H new ATOM 44 N CYS A 30 9.135 -1.753 0.451 1.00 0.00 N ATOM 45 CA CYS A 30 9.205 -1.703 -1.019 1.00 0.00 C ATOM 46 C CYS A 30 10.665 -1.803 -1.469 1.00 0.00 C ATOM 47 O CYS A 30 11.495 -0.963 -1.119 1.00 0.00 O ATOM 48 CB CYS A 30 8.555 -0.413 -1.539 1.00 0.00 C ATOM 49 SG CYS A 30 8.505 -0.313 -3.359 1.00 0.00 S ATOM 0 H CYS A 30 9.740 -1.075 0.914 1.00 0.00 H new ATOM 0 HA CYS A 30 8.655 -2.547 -1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.539 -0.344 -1.150 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.104 0.445 -1.150 1.00 0.00 H new ATOM 0 HG CYS A 30 7.276 -0.428 -3.766 1.00 0.00 H new ATOM 50 N SER A 31 10.895 -2.813 -2.299 1.00 0.00 N ATOM 51 CA SER A 31 12.215 -3.083 -2.929 1.00 0.00 C ATOM 52 C SER A 31 12.455 -2.253 -4.199 1.00 0.00 C ATOM 53 O SER A 31 13.275 -2.573 -5.059 1.00 0.00 O ATOM 54 CB SER A 31 12.425 -4.563 -3.239 1.00 0.00 C ATOM 55 OG SER A 31 12.535 -5.313 -2.029 1.00 0.00 O ATOM 0 H SER A 31 10.174 -3.483 -2.567 1.00 0.00 H new ATOM 0 HA SER A 31 12.947 -2.778 -2.181 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.592 -4.939 -3.833 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.327 -4.692 -3.838 1.00 0.00 H new ATOM 0 HG SER A 31 12.841 -4.726 -1.307 1.00 0.00 H new ATOM 56 N ASN A 32 11.785 -1.103 -4.239 1.00 0.00 N ATOM 57 CA ASN A 32 12.135 -0.013 -5.149 1.00 0.00 C ATOM 58 C ASN A 32 13.255 0.817 -4.489 1.00 0.00 C ATOM 59 O ASN A 32 13.025 1.747 -3.719 1.00 0.00 O ATOM 60 CB ASN A 32 10.925 0.867 -5.459 1.00 0.00 C ATOM 61 CG ASN A 32 11.255 1.817 -6.619 1.00 0.00 C ATOM 62 OD1 ASN A 32 11.965 1.497 -7.569 1.00 0.00 O ATOM 63 ND2 ASN A 32 10.645 2.977 -6.629 1.00 0.00 N ATOM 0 H ASN A 32 10.984 -0.900 -3.641 1.00 0.00 H new ATOM 0 HA ASN A 32 12.477 -0.426 -6.098 1.00 0.00 H new ATOM 0 HB2 ASN A 32 10.069 0.245 -5.719 1.00 0.00 H new ATOM 0 HB3 ASN A 32 10.645 1.441 -4.575 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.761 3.608 -7.422 1.00 0.00 H new ATOM 0 HD22 ASN A 32 10.054 3.249 -5.844 1.00 0.00 H new ATOM 64 N GLY A 33 14.385 0.137 -4.529 1.00 0.00 N ATOM 65 CA GLY A 33 15.645 0.547 -3.899 1.00 0.00 C ATOM 66 C GLY A 33 15.695 -0.043 -2.489 1.00 0.00 C ATOM 67 O GLY A 33 16.205 -1.153 -2.279 1.00 0.00 O ATOM 0 H GLY A 33 14.463 -0.754 -5.019 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.494 0.197 -4.487 1.00 0.00 H new ATOM 0 HA3 GLY A 33 15.712 1.634 -3.858 1.00 0.00 H new ATOM 68 N GLY A 34 15.025 0.667 -1.589 1.00 0.00 N ATOM 69 CA GLY A 34 14.835 0.257 -0.179 1.00 0.00 C ATOM 70 C GLY A 34 14.065 1.307 0.621 1.00 0.00 C ATOM 71 O GLY A 34 14.665 2.157 1.271 1.00 0.00 O ATOM 0 H GLY A 34 14.586 1.561 -1.810 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.298 -0.691 -0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.807 0.089 0.284 1.00 0.00 H new ATOM 72 N HIS A 35 12.745 1.257 0.471 1.00 0.00 N ATOM 73 CA HIS A 35 11.835 2.107 1.251 1.00 0.00 C ATOM 74 C HIS A 35 10.775 1.307 2.021 1.00 0.00 C ATOM 75 O HIS A 35 10.595 0.117 1.811 1.00 0.00 O ATOM 76 CB HIS A 35 11.055 3.147 0.421 1.00 0.00 C ATOM 77 CG HIS A 35 11.935 4.047 -0.429 1.00 0.00 C ATOM 78 ND1 HIS A 35 13.165 4.437 -0.119 1.00 0.00 N ATOM 79 CD2 HIS A 35 11.595 4.627 -1.579 1.00 0.00 C ATOM 80 CE1 HIS A 35 13.595 5.267 -1.059 1.00 0.00 C ATOM 81 NE2 HIS A 35 12.615 5.387 -1.949 1.00 0.00 N ATOM 0 H HIS A 35 12.274 0.635 -0.186 1.00 0.00 H new ATOM 0 HA HIS A 35 12.523 2.614 1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.353 2.625 -0.229 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.465 3.766 1.096 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.663 4.501 -2.110 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.559 5.753 -1.095 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.644 5.972 -2.784 1.00 0.00 H new ATOM 82 N PHE A 36 10.085 2.017 2.901 1.00 0.00 N ATOM 83 CA PHE A 36 8.835 1.587 3.531 1.00 0.00 C ATOM 84 C PHE A 36 7.705 2.527 3.121 1.00 0.00 C ATOM 85 O PHE A 36 7.945 3.667 2.721 1.00 0.00 O ATOM 86 CB PHE A 36 9.015 1.707 5.041 1.00 0.00 C ATOM 87 CG PHE A 36 9.645 0.447 5.621 1.00 0.00 C ATOM 88 CD1 PHE A 36 10.995 0.117 5.311 1.00 0.00 C ATOM 89 CD2 PHE A 36 8.865 -0.403 6.421 1.00 0.00 C ATOM 90 CE1 PHE A 36 11.545 -1.093 5.781 1.00 0.00 C ATOM 91 CE2 PHE A 36 9.415 -1.613 6.911 1.00 0.00 C ATOM 92 CZ PHE A 36 10.745 -1.943 6.581 1.00 0.00 C ATOM 0 H PHE A 36 10.386 2.941 3.210 1.00 0.00 H new ATOM 0 HA PHE A 36 8.596 0.567 3.231 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.643 2.569 5.268 1.00 0.00 H new ATOM 0 HB3 PHE A 36 8.048 1.884 5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.595 0.791 4.718 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.847 -0.135 6.663 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.560 -1.367 5.535 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.824 -2.273 7.528 1.00 0.00 H new ATOM 0 HZ PHE A 36 11.164 -2.868 6.948 1.00 0.00 H new ATOM 93 N LEU A 37 6.505 1.987 3.141 1.00 0.00 N ATOM 94 CA LEU A 37 5.275 2.807 3.051 1.00 0.00 C ATOM 95 C LEU A 37 5.145 3.647 4.341 1.00 0.00 C ATOM 96 O LEU A 37 5.825 3.377 5.321 1.00 0.00 O ATOM 97 CB LEU A 37 4.105 1.847 2.891 1.00 0.00 C ATOM 98 CG LEU A 37 2.945 2.557 2.181 1.00 0.00 C ATOM 99 CD1 LEU A 37 2.775 2.027 0.751 1.00 0.00 C ATOM 100 CD2 LEU A 37 1.655 2.347 2.971 1.00 0.00 C ATOM 0 H LEU A 37 6.335 0.984 3.218 1.00 0.00 H new ATOM 0 HA LEU A 37 5.299 3.493 2.204 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.415 0.974 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.781 1.488 3.868 1.00 0.00 H new ATOM 0 HG LEU A 37 3.170 3.622 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.947 2.545 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.691 2.201 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.566 0.958 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.832 2.852 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.439 1.281 3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.771 2.758 3.974 1.00 0.00 H new ATOM 101 N ARG A 38 4.485 4.797 4.241 1.00 0.00 N ATOM 102 CA ARG A 38 4.235 5.677 5.391 1.00 0.00 C ATOM 103 C ARG A 38 2.815 6.227 5.441 1.00 0.00 C ATOM 104 O ARG A 38 2.335 6.807 4.471 1.00 0.00 O ATOM 105 CB ARG A 38 5.215 6.847 5.301 1.00 0.00 C ATOM 106 CG ARG A 38 6.305 6.767 6.361 1.00 0.00 C ATOM 107 CD ARG A 38 5.795 7.297 7.701 1.00 0.00 C ATOM 108 NE ARG A 38 6.935 7.507 8.601 1.00 0.00 N ATOM 109 CZ ARG A 38 7.445 8.687 8.971 1.00 0.00 C ATOM 110 NH1 ARG A 38 6.815 9.827 8.741 1.00 0.00 N ATOM 111 NH2 ARG A 38 8.495 8.727 9.781 1.00 0.00 N ATOM 0 H ARG A 38 4.106 5.150 3.362 1.00 0.00 H new ATOM 0 HA ARG A 38 4.370 5.086 6.297 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.673 6.860 4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.670 7.784 5.413 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.634 5.734 6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.173 7.345 6.042 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.255 8.232 7.554 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.093 6.589 8.142 1.00 0.00 H new ATOM 0 HE ARG A 38 7.382 6.673 8.981 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.911 9.824 8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.233 10.709 9.037 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.911 7.860 10.120 1.00 0.00 H new ATOM 0 HH22 ARG A 38 8.886 9.625 10.065 1.00 0.00 H new ATOM 112 N ILE A 39 2.205 6.087 6.611 1.00 0.00 N ATOM 113 CA ILE A 39 0.885 6.677 6.931 1.00 0.00 C ATOM 114 C ILE A 39 1.115 7.847 7.901 1.00 0.00 C ATOM 115 O ILE A 39 1.905 7.757 8.831 1.00 0.00 O ATOM 116 CB ILE A 39 -0.075 5.627 7.521 1.00 0.00 C ATOM 117 CG1 ILE A 39 -1.425 6.217 7.971 1.00 0.00 C ATOM 118 CG2 ILE A 39 0.555 4.837 8.681 1.00 0.00 C ATOM 119 CD1 ILE A 39 -2.375 6.507 6.811 1.00 0.00 C ATOM 0 H ILE A 39 2.608 5.556 7.383 1.00 0.00 H new ATOM 0 HA ILE A 39 0.409 7.041 6.021 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.270 4.941 6.696 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.906 5.522 8.660 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.244 7.139 8.523 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.164 4.111 9.060 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.444 4.316 8.326 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.832 5.524 9.481 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.306 6.920 7.198 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.913 7.225 6.133 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.585 5.583 6.273 1.00 0.00 H new ATOM 120 N LEU A 40 0.525 8.977 7.541 1.00 0.00 N ATOM 121 CA LEU A 40 0.465 10.147 8.431 1.00 0.00 C ATOM 122 C LEU A 40 -0.985 10.417 8.881 1.00 0.00 C ATOM 123 O LEU A 40 -1.885 10.427 8.031 1.00 0.00 O ATOM 124 CB LEU A 40 1.055 11.387 7.741 1.00 0.00 C ATOM 125 CG LEU A 40 2.465 11.677 8.271 1.00 0.00 C ATOM 126 CD1 LEU A 40 3.515 10.757 7.641 1.00 0.00 C ATOM 127 CD2 LEU A 40 2.805 13.137 7.961 1.00 0.00 C ATOM 0 H LEU A 40 0.076 9.117 6.636 1.00 0.00 H new ATOM 0 HA LEU A 40 1.064 9.930 9.316 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.091 11.228 6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.410 12.249 7.915 1.00 0.00 H new ATOM 0 HG LEU A 40 2.478 11.493 9.345 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.499 10.997 8.045 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.273 9.719 7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.522 10.899 6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.805 13.364 8.330 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.771 13.298 6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.081 13.790 8.448 1.00 0.00 H new ATOM 128 N PRO A 41 -1.185 10.637 10.191 1.00 0.00 N ATOM 129 CA PRO A 41 -2.475 10.967 10.831 1.00 0.00 C ATOM 130 C PRO A 41 -3.455 11.827 10.021 1.00 0.00 C ATOM 131 O PRO A 41 -4.655 11.587 10.051 1.00 0.00 O ATOM 132 CB PRO A 41 -2.085 11.687 12.111 1.00 0.00 C ATOM 133 CG PRO A 41 -0.815 10.967 12.541 1.00 0.00 C ATOM 134 CD PRO A 41 -0.145 10.537 11.241 1.00 0.00 C ATOM 0 HA PRO A 41 -3.036 10.042 10.966 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.907 12.748 11.938 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.866 11.614 12.868 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.166 11.624 13.121 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.043 10.107 13.171 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.705 11.179 11.010 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.236 9.518 11.317 1.00 0.00 H new ATOM 135 N ASP A 42 -2.915 12.867 9.381 1.00 0.00 N ATOM 136 CA ASP A 42 -3.675 13.807 8.531 1.00 0.00 C ATOM 137 C ASP A 42 -4.095 13.247 7.161 1.00 0.00 C ATOM 138 O ASP A 42 -4.045 13.927 6.131 1.00 0.00 O ATOM 139 CB ASP A 42 -2.895 15.137 8.431 1.00 0.00 C ATOM 140 CG ASP A 42 -1.465 15.017 7.891 1.00 0.00 C ATOM 141 OD1 ASP A 42 -0.675 14.277 8.531 1.00 0.00 O ATOM 142 OD2 ASP A 42 -1.155 15.767 6.951 1.00 0.00 O ATOM 0 H ASP A 42 -1.921 13.089 9.435 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.633 13.986 9.019 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.452 15.819 7.789 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.855 15.592 9.421 1.00 0.00 H new ATOM 143 N GLY A 43 -4.595 12.017 7.241 1.00 0.00 N ATOM 144 CA GLY A 43 -5.075 11.217 6.101 1.00 0.00 C ATOM 145 C GLY A 43 -4.075 11.077 4.941 1.00 0.00 C ATOM 146 O GLY A 43 -4.485 10.747 3.841 1.00 0.00 O ATOM 0 H GLY A 43 -4.683 11.526 8.130 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.335 10.221 6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.991 11.668 5.719 1.00 0.00 H new ATOM 147 N THR A 44 -2.775 11.097 5.251 1.00 0.00 N ATOM 148 CA THR A 44 -1.735 11.197 4.201 1.00 0.00 C ATOM 149 C THR A 44 -0.955 9.887 4.111 1.00 0.00 C ATOM 150 O THR A 44 -0.605 9.297 5.141 1.00 0.00 O ATOM 151 CB THR A 44 -0.735 12.317 4.501 1.00 0.00 C ATOM 152 OG1 THR A 44 -1.375 13.417 5.151 1.00 0.00 O ATOM 153 CG2 THR A 44 -0.065 12.807 3.211 1.00 0.00 C ATOM 0 H THR A 44 -2.413 11.047 6.203 1.00 0.00 H new ATOM 0 HA THR A 44 -2.247 11.412 3.263 1.00 0.00 H new ATOM 0 HB THR A 44 0.025 11.908 5.167 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.718 14.125 5.319 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.642 13.603 3.448 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.465 11.980 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.825 13.188 2.528 1.00 0.00 H new ATOM 154 N VAL A 45 -0.755 9.407 2.891 1.00 0.00 N ATOM 155 CA VAL A 45 0.135 8.257 2.661 1.00 0.00 C ATOM 156 C VAL A 45 1.235 8.667 1.671 1.00 0.00 C ATOM 157 O VAL A 45 1.005 9.327 0.661 1.00 0.00 O ATOM 158 CB VAL A 45 -0.595 7.017 2.141 1.00 0.00 C ATOM 159 CG1 VAL A 45 0.265 5.747 2.121 1.00 0.00 C ATOM 160 CG2 VAL A 45 -1.845 6.687 2.991 1.00 0.00 C ATOM 0 H VAL A 45 -1.188 9.785 2.048 1.00 0.00 H new ATOM 0 HA VAL A 45 0.560 7.980 3.626 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.863 7.286 1.119 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.325 4.914 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.130 5.904 1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.602 5.520 3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.335 5.800 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.545 6.500 4.022 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.537 7.528 2.962 1.00 0.00 H new ATOM 161 N ASP A 46 2.425 8.217 2.031 1.00 0.00 N ATOM 162 CA ASP A 46 3.705 8.447 1.331 1.00 0.00 C ATOM 163 C ASP A 46 4.655 7.247 1.531 1.00 0.00 C ATOM 164 O ASP A 46 4.195 6.137 1.791 1.00 0.00 O ATOM 165 CB ASP A 46 4.255 9.787 1.821 1.00 0.00 C ATOM 166 CG ASP A 46 4.405 9.977 3.341 1.00 0.00 C ATOM 167 OD1 ASP A 46 3.385 10.307 3.981 1.00 0.00 O ATOM 168 OD2 ASP A 46 5.545 9.827 3.811 1.00 0.00 O ATOM 0 H ASP A 46 2.545 7.646 2.868 1.00 0.00 H new ATOM 0 HA ASP A 46 3.578 8.513 0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.233 9.937 1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.604 10.576 1.445 1.00 0.00 H new ATOM 169 N GLY A 47 5.945 7.457 1.291 1.00 0.00 N ATOM 170 CA GLY A 47 7.005 6.467 1.561 1.00 0.00 C ATOM 171 C GLY A 47 8.145 7.077 2.371 1.00 0.00 C ATOM 172 O GLY A 47 8.245 8.297 2.511 1.00 0.00 O ATOM 0 H GLY A 47 6.298 8.329 0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.584 5.620 2.103 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.393 6.081 0.618 1.00 0.00 H new ATOM 173 N THR A 48 9.085 6.207 2.721 1.00 0.00 N ATOM 174 CA THR A 48 10.235 6.567 3.591 1.00 0.00 C ATOM 175 C THR A 48 11.395 5.617 3.351 1.00 0.00 C ATOM 176 O THR A 48 11.245 4.397 3.391 1.00 0.00 O ATOM 177 CB THR A 48 9.825 6.577 5.081 1.00 0.00 C ATOM 178 OG1 THR A 48 10.965 7.017 5.831 1.00 0.00 O ATOM 179 CG2 THR A 48 9.335 5.247 5.651 1.00 0.00 C ATOM 0 H THR A 48 9.086 5.233 2.420 1.00 0.00 H new ATOM 0 HA THR A 48 10.557 7.576 3.333 1.00 0.00 H new ATOM 0 HB THR A 48 8.964 7.241 5.160 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.741 7.038 6.785 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.076 5.375 6.702 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.456 4.916 5.098 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.123 4.500 5.560 1.00 0.00 H new ATOM 180 N ARG A 49 12.565 6.217 3.311 1.00 0.00 N ATOM 181 CA ARG A 49 13.845 5.477 3.171 1.00 0.00 C ATOM 182 C ARG A 49 14.375 4.897 4.501 1.00 0.00 C ATOM 183 O ARG A 49 15.465 4.337 4.561 1.00 0.00 O ATOM 184 CB ARG A 49 14.895 6.347 2.471 1.00 0.00 C ATOM 185 CG ARG A 49 15.145 7.667 3.201 1.00 0.00 C ATOM 186 CD ARG A 49 16.355 8.417 2.651 1.00 0.00 C ATOM 187 NE ARG A 49 16.515 9.627 3.481 1.00 0.00 N ATOM 188 CZ ARG A 49 17.665 10.217 3.811 1.00 0.00 C ATOM 189 NH1 ARG A 49 18.815 9.717 3.431 1.00 0.00 N ATOM 190 NH2 ARG A 49 17.745 11.287 4.581 1.00 0.00 N ATOM 0 H ARG A 49 12.678 7.229 3.373 1.00 0.00 H new ATOM 0 HA ARG A 49 13.636 4.610 2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 49 15.831 5.793 2.399 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.568 6.555 1.452 1.00 0.00 H new ATOM 0 HG2 ARG A 49 14.261 8.299 3.117 1.00 0.00 H new ATOM 0 HG3 ARG A 49 15.295 7.469 4.262 1.00 0.00 H new ATOM 0 HD2 ARG A 49 17.249 7.795 2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 49 16.204 8.682 1.605 1.00 0.00 H new ATOM 0 HE ARG A 49 15.661 10.055 3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 49 18.841 8.863 2.874 1.00 0.00 H new ATOM 0 HH12 ARG A 49 19.685 10.182 3.693 1.00 0.00 H new ATOM 0 HH21 ARG A 49 16.896 11.708 4.959 1.00 0.00 H new ATOM 0 HH22 ARG A 49 18.656 11.693 4.798 1.00 0.00 H new ATOM 191 N ASP A 50 13.575 5.027 5.561 1.00 0.00 N ATOM 192 CA ASP A 50 13.895 4.477 6.891 1.00 0.00 C ATOM 193 C ASP A 50 12.825 3.477 7.341 1.00 0.00 C ATOM 194 O ASP A 50 11.685 3.527 6.871 1.00 0.00 O ATOM 195 CB ASP A 50 13.965 5.607 7.921 1.00 0.00 C ATOM 196 CG ASP A 50 14.945 6.717 7.531 1.00 0.00 C ATOM 197 OD1 ASP A 50 16.125 6.587 7.921 1.00 0.00 O ATOM 198 OD2 ASP A 50 14.465 7.687 6.901 1.00 0.00 O ATOM 0 H ASP A 50 12.682 5.518 5.527 1.00 0.00 H new ATOM 0 HA ASP A 50 14.857 3.970 6.820 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.971 6.036 8.048 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.259 5.193 8.886 1.00 0.00 H new ATOM 199 N ARG A 51 13.215 2.577 8.241 1.00 0.00 N ATOM 200 CA ARG A 51 12.265 1.737 9.011 1.00 0.00 C ATOM 201 C ARG A 51 11.515 2.607 10.031 1.00 0.00 C ATOM 202 O ARG A 51 11.775 2.657 11.231 1.00 0.00 O ATOM 203 CB ARG A 51 12.965 0.577 9.731 1.00 0.00 C ATOM 204 CG ARG A 51 13.595 -0.453 8.781 1.00 0.00 C ATOM 205 CD ARG A 51 14.975 -0.013 8.301 1.00 0.00 C ATOM 206 NE ARG A 51 15.385 -0.923 7.221 1.00 0.00 N ATOM 207 CZ ARG A 51 15.355 -0.663 5.911 1.00 0.00 C ATOM 208 NH1 ARG A 51 14.905 0.487 5.431 1.00 0.00 N ATOM 209 NH2 ARG A 51 15.745 -1.583 5.051 1.00 0.00 N ATOM 0 H ARG A 51 14.194 2.400 8.466 1.00 0.00 H new ATOM 0 HA ARG A 51 11.562 1.302 8.301 1.00 0.00 H new ATOM 0 HB2 ARG A 51 13.742 0.981 10.381 1.00 0.00 H new ATOM 0 HB3 ARG A 51 12.243 0.072 10.373 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.676 -1.414 9.289 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.942 -0.602 7.921 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.945 1.016 7.943 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.693 -0.045 9.121 1.00 0.00 H new ATOM 0 HE ARG A 51 15.726 -1.843 7.500 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.567 1.208 6.068 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.897 0.651 4.424 1.00 0.00 H new ATOM 0 HH21 ARG A 51 16.068 -2.490 5.386 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.723 -1.387 4.050 1.00 0.00 H new ATOM 210 N SER A 52 10.545 3.317 9.471 1.00 0.00 N ATOM 211 CA SER A 52 9.805 4.347 10.201 1.00 0.00 C ATOM 212 C SER A 52 8.435 3.887 10.681 1.00 0.00 C ATOM 213 O SER A 52 7.425 4.607 10.631 1.00 0.00 O ATOM 214 CB SER A 52 9.695 5.637 9.391 1.00 0.00 C ATOM 215 OG SER A 52 10.975 6.277 9.391 1.00 0.00 O ATOM 0 H SER A 52 10.247 3.199 8.503 1.00 0.00 H new ATOM 0 HA SER A 52 10.390 4.550 11.098 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.379 5.419 8.371 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.941 6.295 9.824 1.00 0.00 H new ATOM 0 HG SER A 52 10.925 7.108 8.874 1.00 0.00 H new ATOM 216 N ASP A 53 8.515 2.757 11.361 1.00 0.00 N ATOM 217 CA ASP A 53 7.355 2.147 12.051 1.00 0.00 C ATOM 218 C ASP A 53 7.105 2.747 13.451 1.00 0.00 C ATOM 219 O ASP A 53 7.205 2.087 14.481 1.00 0.00 O ATOM 220 CB ASP A 53 7.425 0.617 12.091 1.00 0.00 C ATOM 221 CG ASP A 53 8.705 0.037 12.681 1.00 0.00 C ATOM 222 OD1 ASP A 53 9.685 -0.053 11.911 1.00 0.00 O ATOM 223 OD2 ASP A 53 8.695 -0.263 13.891 1.00 0.00 O ATOM 0 H ASP A 53 9.379 2.224 11.460 1.00 0.00 H new ATOM 0 HA ASP A 53 6.488 2.405 11.443 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.578 0.246 12.669 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.309 0.238 11.076 1.00 0.00 H new ATOM 224 N GLN A 54 7.315 4.057 13.441 1.00 0.00 N ATOM 225 CA GLN A 54 6.705 5.007 14.381 1.00 0.00 C ATOM 226 C GLN A 54 5.285 5.327 13.871 1.00 0.00 C ATOM 227 O GLN A 54 4.315 5.277 14.621 1.00 0.00 O ATOM 228 CB GLN A 54 7.535 6.297 14.421 1.00 0.00 C ATOM 229 CG GLN A 54 8.955 6.127 14.961 1.00 0.00 C ATOM 230 CD GLN A 54 9.915 5.477 13.941 1.00 0.00 C ATOM 231 OE1 GLN A 54 10.275 6.057 12.921 1.00 0.00 O ATOM 232 NE2 GLN A 54 10.265 4.227 14.141 1.00 0.00 N ATOM 0 H GLN A 54 7.930 4.507 12.763 1.00 0.00 H new ATOM 0 HA GLN A 54 6.667 4.581 15.384 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.591 6.708 13.413 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.013 7.030 15.036 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.347 7.102 15.250 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.924 5.516 15.863 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.967 3.743 14.988 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.835 3.740 13.449 1.00 0.00 H new ATOM 233 N HIS A 55 5.215 5.547 12.561 1.00 0.00 N ATOM 234 CA HIS A 55 3.965 5.807 11.831 1.00 0.00 C ATOM 235 C HIS A 55 3.435 4.597 11.041 1.00 0.00 C ATOM 236 O HIS A 55 2.275 4.227 11.201 1.00 0.00 O ATOM 237 CB HIS A 55 4.155 7.007 10.891 1.00 0.00 C ATOM 238 CG HIS A 55 4.425 8.307 11.641 1.00 0.00 C ATOM 239 ND1 HIS A 55 5.345 9.217 11.331 1.00 0.00 N ATOM 240 CD2 HIS A 55 3.725 8.777 12.661 1.00 0.00 C ATOM 241 CE1 HIS A 55 5.195 10.257 12.141 1.00 0.00 C ATOM 242 NE2 HIS A 55 4.185 9.987 12.961 1.00 0.00 N ATOM 0 H HIS A 55 6.039 5.551 11.960 1.00 0.00 H new ATOM 0 HA HIS A 55 3.210 6.025 12.586 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.985 6.804 10.214 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.263 7.126 10.276 1.00 0.00 H new ATOM 0 HD2 HIS A 55 2.918 8.265 13.164 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.787 11.160 12.135 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.826 10.601 13.692 1.00 0.00 H new ATOM 243 N ILE A 56 4.305 3.937 10.281 1.00 0.00 N ATOM 244 CA ILE A 56 3.945 2.767 9.471 1.00 0.00 C ATOM 245 C ILE A 56 3.745 1.467 10.281 1.00 0.00 C ATOM 246 O ILE A 56 4.655 0.677 10.531 1.00 0.00 O ATOM 247 CB ILE A 56 4.825 2.627 8.211 1.00 0.00 C ATOM 248 CG1 ILE A 56 4.445 1.387 7.411 1.00 0.00 C ATOM 249 CG2 ILE A 56 6.335 2.677 8.431 1.00 0.00 C ATOM 250 CD1 ILE A 56 3.095 1.607 6.741 1.00 0.00 C ATOM 0 H ILE A 56 5.288 4.198 10.207 1.00 0.00 H new ATOM 0 HA ILE A 56 2.943 2.965 9.091 1.00 0.00 H new ATOM 0 HB ILE A 56 4.603 3.530 7.641 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.206 1.179 6.659 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.400 0.518 8.067 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.846 2.568 7.474 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.606 3.632 8.880 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.633 1.866 9.096 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.824 0.720 6.169 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.337 1.794 7.502 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.156 2.465 6.072 1.00 0.00 H new ATOM 251 N GLN A 57 2.555 1.467 10.841 1.00 0.00 N ATOM 252 CA GLN A 57 1.875 0.277 11.391 1.00 0.00 C ATOM 253 C GLN A 57 0.555 0.047 10.651 1.00 0.00 C ATOM 254 O GLN A 57 -0.195 0.997 10.411 1.00 0.00 O ATOM 255 CB GLN A 57 1.585 0.457 12.891 1.00 0.00 C ATOM 256 CG GLN A 57 2.855 0.537 13.741 1.00 0.00 C ATOM 257 CD GLN A 57 3.345 1.977 13.911 1.00 0.00 C ATOM 258 OE1 GLN A 57 4.085 2.527 13.111 1.00 0.00 O ATOM 259 NE2 GLN A 57 3.015 2.607 15.021 1.00 0.00 N ATOM 0 H GLN A 57 2.001 2.318 10.937 1.00 0.00 H new ATOM 0 HA GLN A 57 2.532 -0.583 11.258 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.000 1.365 13.036 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.973 -0.375 13.239 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.662 0.102 14.722 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.640 -0.060 13.276 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.397 2.158 15.698 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.377 3.543 15.203 1.00 0.00 H new ATOM 260 N LEU A 58 0.325 -1.203 10.261 1.00 0.00 N ATOM 261 CA LEU A 58 -0.855 -1.603 9.461 1.00 0.00 C ATOM 262 C LEU A 58 -1.415 -2.983 9.811 1.00 0.00 C ATOM 263 O LEU A 58 -0.855 -3.693 10.651 1.00 0.00 O ATOM 264 CB LEU A 58 -0.595 -1.493 7.941 1.00 0.00 C ATOM 265 CG LEU A 58 0.565 -2.363 7.421 1.00 0.00 C ATOM 266 CD1 LEU A 58 0.285 -2.823 5.991 1.00 0.00 C ATOM 267 CD2 LEU A 58 1.875 -1.603 7.501 1.00 0.00 C ATOM 0 H LEU A 58 0.947 -1.979 10.486 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.625 -0.882 9.736 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.505 -1.770 7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.388 -0.451 7.696 1.00 0.00 H new ATOM 0 HG LEU A 58 0.649 -3.248 8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.114 -3.437 5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.634 -3.408 5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.176 -1.953 5.344 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.684 -2.232 7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.810 -0.700 6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.074 -1.330 8.537 1.00 0.00 H new ATOM 268 N GLN A 59 -2.635 -3.213 9.351 1.00 0.00 N ATOM 269 CA GLN A 59 -3.345 -4.493 9.511 1.00 0.00 C ATOM 270 C GLN A 59 -4.105 -4.833 8.221 1.00 0.00 C ATOM 271 O GLN A 59 -5.065 -4.173 7.831 1.00 0.00 O ATOM 272 CB GLN A 59 -4.355 -4.343 10.641 1.00 0.00 C ATOM 273 CG GLN A 59 -4.855 -5.693 11.161 1.00 0.00 C ATOM 274 CD GLN A 59 -6.025 -5.473 12.121 1.00 0.00 C ATOM 275 OE1 GLN A 59 -5.875 -5.143 13.291 1.00 0.00 O ATOM 276 NE2 GLN A 59 -7.225 -5.643 11.611 1.00 0.00 N ATOM 0 H GLN A 59 -3.177 -2.511 8.847 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.628 -5.284 9.730 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.899 -3.788 11.461 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.203 -3.755 10.291 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.169 -6.321 10.327 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -4.048 -6.219 11.670 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.330 -5.918 10.634 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.051 -5.500 12.192 1.00 0.00 H new ATOM 277 N LEU A 60 -3.695 -5.963 7.651 1.00 0.00 N ATOM 278 CA LEU A 60 -4.315 -6.543 6.451 1.00 0.00 C ATOM 279 C LEU A 60 -5.555 -7.373 6.791 1.00 0.00 C ATOM 280 O LEU A 60 -5.525 -8.583 6.991 1.00 0.00 O ATOM 281 CB LEU A 60 -3.265 -7.393 5.701 1.00 0.00 C ATOM 282 CG LEU A 60 -2.055 -6.593 5.171 1.00 0.00 C ATOM 283 CD1 LEU A 60 -0.945 -6.493 6.221 1.00 0.00 C ATOM 284 CD2 LEU A 60 -1.475 -7.343 3.971 1.00 0.00 C ATOM 0 H LEU A 60 -2.914 -6.512 8.010 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.654 -5.731 5.807 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.903 -8.174 6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.751 -7.891 4.862 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.396 -5.591 4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.109 -5.924 5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.328 -5.990 7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.606 -7.494 6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.618 -6.795 3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.158 -8.338 4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.235 -7.430 3.195 1.00 0.00 H new ATOM 285 N SER A 61 -6.675 -6.673 6.741 1.00 0.00 N ATOM 286 CA SER A 61 -7.995 -7.183 7.181 1.00 0.00 C ATOM 287 C SER A 61 -8.855 -7.623 5.991 1.00 0.00 C ATOM 288 O SER A 61 -9.675 -6.893 5.451 1.00 0.00 O ATOM 289 CB SER A 61 -8.655 -6.073 8.001 1.00 0.00 C ATOM 290 OG SER A 61 -9.995 -6.433 8.351 1.00 0.00 O ATOM 0 H SER A 61 -6.711 -5.716 6.390 1.00 0.00 H new ATOM 0 HA SER A 61 -7.879 -8.077 7.794 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.075 -5.887 8.905 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.660 -5.145 7.429 1.00 0.00 H new ATOM 0 HG SER A 61 -10.401 -5.712 8.876 1.00 0.00 H new ATOM 291 N ALA A 62 -8.425 -8.753 5.451 1.00 0.00 N ATOM 292 CA ALA A 62 -9.125 -9.493 4.371 1.00 0.00 C ATOM 293 C ALA A 62 -10.645 -9.603 4.471 1.00 0.00 C ATOM 294 O ALA A 62 -11.225 -10.053 5.441 1.00 0.00 O ATOM 295 CB ALA A 62 -8.475 -10.873 4.251 1.00 0.00 C ATOM 0 H ALA A 62 -7.560 -9.205 5.747 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.000 -8.893 3.470 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.970 -11.441 3.463 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.419 -10.758 4.007 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.573 -11.405 5.198 1.00 0.00 H new ATOM 296 N GLU A 63 -11.225 -9.273 3.321 1.00 0.00 N ATOM 297 CA GLU A 63 -12.635 -9.553 3.011 1.00 0.00 C ATOM 298 C GLU A 63 -12.695 -10.823 2.131 1.00 0.00 C ATOM 299 O GLU A 63 -13.195 -10.853 1.011 1.00 0.00 O ATOM 300 CB GLU A 63 -13.195 -8.313 2.321 1.00 0.00 C ATOM 301 CG GLU A 63 -14.725 -8.293 2.361 1.00 0.00 C ATOM 302 CD GLU A 63 -15.275 -7.023 1.731 1.00 0.00 C ATOM 303 OE1 GLU A 63 -15.475 -7.033 0.501 1.00 0.00 O ATOM 304 OE2 GLU A 63 -15.485 -6.053 2.501 1.00 0.00 O ATOM 0 H GLU A 63 -10.730 -8.799 2.566 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.239 -9.752 3.896 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.805 -7.418 2.806 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.856 -8.287 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.117 -9.163 1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.065 -8.367 3.394 1.00 0.00 H new ATOM 305 N SER A 64 -11.895 -11.773 2.611 1.00 0.00 N ATOM 306 CA SER A 64 -11.735 -13.173 2.131 1.00 0.00 C ATOM 307 C SER A 64 -10.915 -13.333 0.851 1.00 0.00 C ATOM 308 O SER A 64 -9.745 -13.703 0.901 1.00 0.00 O ATOM 309 CB SER A 64 -13.095 -13.883 2.061 1.00 0.00 C ATOM 310 OG SER A 64 -12.915 -15.243 1.621 1.00 0.00 O ATOM 0 H SER A 64 -11.288 -11.584 3.408 1.00 0.00 H new ATOM 0 HA SER A 64 -11.123 -13.673 2.882 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.574 -13.869 3.040 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.757 -13.354 1.375 1.00 0.00 H new ATOM 0 HG SER A 64 -13.785 -15.691 1.580 1.00 0.00 H new ATOM 311 N VAL A 65 -11.455 -12.803 -0.239 1.00 0.00 N ATOM 312 CA VAL A 65 -10.915 -12.913 -1.619 1.00 0.00 C ATOM 313 C VAL A 65 -9.785 -11.923 -1.959 1.00 0.00 C ATOM 314 O VAL A 65 -9.915 -11.023 -2.789 1.00 0.00 O ATOM 315 CB VAL A 65 -12.045 -12.913 -2.659 1.00 0.00 C ATOM 316 CG1 VAL A 65 -12.655 -14.313 -2.759 1.00 0.00 C ATOM 317 CG2 VAL A 65 -13.125 -11.843 -2.449 1.00 0.00 C ATOM 0 H VAL A 65 -12.317 -12.259 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.420 -13.883 -1.661 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.581 -12.638 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -13.456 -14.309 -3.498 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -11.886 -15.024 -3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -13.057 -14.605 -1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -13.877 -11.926 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.597 -11.989 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.669 -10.854 -2.486 1.00 0.00 H new ATOM 318 N GLY A 66 -8.735 -12.063 -1.169 1.00 0.00 N ATOM 319 CA GLY A 66 -7.435 -11.353 -1.299 1.00 0.00 C ATOM 320 C GLY A 66 -7.445 -9.873 -0.879 1.00 0.00 C ATOM 321 O GLY A 66 -6.455 -9.333 -0.399 1.00 0.00 O ATOM 0 H GLY A 66 -8.747 -12.702 -0.374 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.692 -11.878 -0.699 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.108 -11.416 -2.337 1.00 0.00 H new ATOM 322 N GLU A 67 -8.505 -9.213 -1.319 1.00 0.00 N ATOM 323 CA GLU A 67 -8.855 -7.823 -1.009 1.00 0.00 C ATOM 324 C GLU A 67 -8.955 -7.553 0.491 1.00 0.00 C ATOM 325 O GLU A 67 -9.795 -8.083 1.221 1.00 0.00 O ATOM 326 CB GLU A 67 -10.115 -7.423 -1.799 1.00 0.00 C ATOM 327 CG GLU A 67 -11.355 -8.273 -1.499 1.00 0.00 C ATOM 328 CD GLU A 67 -12.485 -7.963 -2.459 1.00 0.00 C ATOM 329 OE1 GLU A 67 -13.165 -6.943 -2.209 1.00 0.00 O ATOM 330 OE2 GLU A 67 -12.645 -8.743 -3.419 1.00 0.00 O ATOM 0 H GLU A 67 -9.187 -9.652 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.040 -7.177 -1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.346 -6.380 -1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.895 -7.488 -2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.098 -9.330 -1.567 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.684 -8.090 -0.476 1.00 0.00 H new ATOM 331 N VAL A 68 -7.845 -6.973 0.921 1.00 0.00 N ATOM 332 CA VAL A 68 -7.595 -6.633 2.341 1.00 0.00 C ATOM 333 C VAL A 68 -7.945 -5.163 2.591 1.00 0.00 C ATOM 334 O VAL A 68 -7.755 -4.313 1.731 1.00 0.00 O ATOM 335 CB VAL A 68 -6.165 -6.963 2.811 1.00 0.00 C ATOM 336 CG1 VAL A 68 -5.885 -8.463 2.761 1.00 0.00 C ATOM 337 CG2 VAL A 68 -5.065 -6.223 2.051 1.00 0.00 C ATOM 0 H VAL A 68 -7.077 -6.717 0.301 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.246 -7.267 2.943 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.134 -6.612 3.843 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.867 -8.655 3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.588 -8.986 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.000 -8.821 1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.091 -6.514 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.119 -6.479 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.199 -5.148 2.172 1.00 0.00 H new ATOM 338 N TYR A 69 -8.635 -4.973 3.701 1.00 0.00 N ATOM 339 CA TYR A 69 -8.855 -3.653 4.311 1.00 0.00 C ATOM 340 C TYR A 69 -7.645 -3.323 5.171 1.00 0.00 C ATOM 341 O TYR A 69 -7.365 -4.023 6.141 1.00 0.00 O ATOM 342 CB TYR A 69 -10.095 -3.643 5.221 1.00 0.00 C ATOM 343 CG TYR A 69 -11.415 -3.583 4.461 1.00 0.00 C ATOM 344 CD1 TYR A 69 -11.645 -2.513 3.561 1.00 0.00 C ATOM 345 CD2 TYR A 69 -12.405 -4.533 4.761 1.00 0.00 C ATOM 346 CE1 TYR A 69 -12.905 -2.403 2.941 1.00 0.00 C ATOM 347 CE2 TYR A 69 -13.665 -4.413 4.151 1.00 0.00 C ATOM 348 CZ TYR A 69 -13.895 -3.363 3.241 1.00 0.00 C ATOM 349 OH TYR A 69 -15.085 -3.293 2.591 1.00 0.00 O ATOM 0 H TYR A 69 -9.069 -5.736 4.220 1.00 0.00 H new ATOM 0 HA TYR A 69 -9.005 -2.927 3.512 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.085 -4.538 5.843 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.034 -2.787 5.893 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.867 -1.793 3.354 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -12.201 -5.341 5.448 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.110 -1.599 2.249 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.450 -5.119 4.378 1.00 0.00 H new ATOM 0 HH TYR A 69 -15.425 -4.198 2.432 1.00 0.00 H new ATOM 350 N ILE A 70 -6.805 -2.443 4.651 1.00 0.00 N ATOM 351 CA ILE A 70 -5.605 -2.093 5.411 1.00 0.00 C ATOM 352 C ILE A 70 -5.895 -0.993 6.411 1.00 0.00 C ATOM 353 O ILE A 70 -5.725 0.197 6.191 1.00 0.00 O ATOM 354 CB ILE A 70 -4.365 -1.883 4.531 1.00 0.00 C ATOM 355 CG1 ILE A 70 -4.105 -3.123 3.661 1.00 0.00 C ATOM 356 CG2 ILE A 70 -3.145 -1.553 5.411 1.00 0.00 C ATOM 357 CD1 ILE A 70 -2.915 -3.053 2.691 1.00 0.00 C ATOM 0 H ILE A 70 -6.916 -1.975 3.752 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.322 -2.958 6.011 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.542 -1.040 3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.954 -3.976 4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.005 -3.325 3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.269 -1.406 4.779 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.341 -0.643 5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.960 -2.377 6.100 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.841 -3.989 2.138 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.063 -2.229 1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.996 -2.891 3.254 1.00 0.00 H new ATOM 358 N LYS A 71 -6.175 -1.503 7.591 1.00 0.00 N ATOM 359 CA LYS A 71 -6.435 -0.703 8.781 1.00 0.00 C ATOM 360 C LYS A 71 -5.055 -0.393 9.371 1.00 0.00 C ATOM 361 O LYS A 71 -4.365 -1.253 9.901 1.00 0.00 O ATOM 362 CB LYS A 71 -7.255 -1.573 9.711 1.00 0.00 C ATOM 363 CG LYS A 71 -7.865 -0.703 10.811 1.00 0.00 C ATOM 364 CD LYS A 71 -7.035 -0.813 12.091 1.00 0.00 C ATOM 365 CE LYS A 71 -7.765 -1.663 13.121 1.00 0.00 C ATOM 366 NZ LYS A 71 -6.895 -1.743 14.301 1.00 0.00 N ATOM 0 H LYS A 71 -6.231 -2.507 7.759 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.977 0.225 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.043 -2.079 9.153 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.627 -2.348 10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.905 0.336 10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.891 -1.016 11.006 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.064 -1.255 11.866 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.846 0.181 12.497 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.726 -1.217 13.379 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.971 -2.657 12.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.602 -2.730 14.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.053 -1.151 14.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.412 -1.405 15.137 1.00 0.00 H new ATOM 367 N SER A 72 -4.665 0.857 9.241 1.00 0.00 N ATOM 368 CA SER A 72 -3.335 1.317 9.671 1.00 0.00 C ATOM 369 C SER A 72 -3.355 1.597 11.171 1.00 0.00 C ATOM 370 O SER A 72 -3.765 2.677 11.601 1.00 0.00 O ATOM 371 CB SER A 72 -2.895 2.517 8.841 1.00 0.00 C ATOM 372 OG SER A 72 -1.495 2.757 9.011 1.00 0.00 O ATOM 0 H SER A 72 -5.248 1.590 8.838 1.00 0.00 H new ATOM 0 HA SER A 72 -2.592 0.538 9.498 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.114 2.339 7.788 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.460 3.400 9.139 1.00 0.00 H new ATOM 0 HG SER A 72 -1.043 1.915 9.228 1.00 0.00 H new ATOM 373 N THR A 73 -3.405 0.457 11.861 1.00 0.00 N ATOM 374 CA THR A 73 -3.375 0.267 13.331 1.00 0.00 C ATOM 375 C THR A 73 -2.935 1.467 14.201 1.00 0.00 C ATOM 376 O THR A 73 -3.625 1.797 15.161 1.00 0.00 O ATOM 377 CB THR A 73 -2.565 -0.973 13.761 1.00 0.00 C ATOM 378 OG1 THR A 73 -1.215 -0.883 13.301 1.00 0.00 O ATOM 379 CG2 THR A 73 -3.225 -2.253 13.271 1.00 0.00 C ATOM 0 H THR A 73 -3.473 -0.438 11.376 1.00 0.00 H new ATOM 0 HA THR A 73 -4.438 0.132 13.533 1.00 0.00 H new ATOM 0 HB THR A 73 -2.548 -1.003 14.850 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.680 -1.592 13.716 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.633 -3.112 13.588 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.228 -2.329 13.691 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.287 -2.237 12.183 1.00 0.00 H new ATOM 380 N GLU A 74 -1.955 2.197 13.691 1.00 0.00 N ATOM 381 CA GLU A 74 -1.335 3.407 14.281 1.00 0.00 C ATOM 382 C GLU A 74 -2.385 4.497 14.591 1.00 0.00 C ATOM 383 O GLU A 74 -2.575 4.917 15.731 1.00 0.00 O ATOM 384 CB GLU A 74 -0.345 3.917 13.251 1.00 0.00 C ATOM 385 CG GLU A 74 0.755 4.757 13.901 1.00 0.00 C ATOM 386 CD GLU A 74 0.725 6.227 13.471 1.00 0.00 C ATOM 387 OE1 GLU A 74 0.695 6.497 12.251 1.00 0.00 O ATOM 388 OE2 GLU A 74 0.665 7.067 14.401 1.00 0.00 O ATOM 0 H GLU A 74 -1.533 1.956 12.794 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.854 3.163 15.228 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.102 3.073 12.725 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.869 4.515 12.506 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.654 4.700 14.985 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.726 4.331 13.648 1.00 0.00 H new ATOM 389 N THR A 75 -3.085 4.837 13.521 1.00 0.00 N ATOM 390 CA THR A 75 -4.075 5.927 13.431 1.00 0.00 C ATOM 391 C THR A 75 -5.505 5.377 13.501 1.00 0.00 C ATOM 392 O THR A 75 -6.465 6.117 13.751 1.00 0.00 O ATOM 393 CB THR A 75 -3.905 6.617 12.071 1.00 0.00 C ATOM 394 OG1 THR A 75 -3.885 5.627 11.031 1.00 0.00 O ATOM 395 CG2 THR A 75 -2.665 7.507 12.021 1.00 0.00 C ATOM 0 H THR A 75 -2.981 4.340 12.637 1.00 0.00 H new ATOM 0 HA THR A 75 -3.915 6.616 14.260 1.00 0.00 H new ATOM 0 HB THR A 75 -4.757 7.280 11.917 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.620 6.046 10.186 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.590 7.972 11.038 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.742 8.282 12.784 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.776 6.903 12.205 1.00 0.00 H new ATOM 396 N GLY A 76 -5.615 4.097 13.141 1.00 0.00 N ATOM 397 CA GLY A 76 -6.855 3.327 12.981 1.00 0.00 C ATOM 398 C GLY A 76 -7.545 3.547 11.611 1.00 0.00 C ATOM 399 O GLY A 76 -8.615 3.007 11.361 1.00 0.00 O ATOM 0 H GLY A 76 -4.789 3.533 12.940 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.633 2.267 13.101 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.548 3.600 13.776 1.00 0.00 H new ATOM 400 N GLN A 77 -6.785 4.107 10.681 1.00 0.00 N ATOM 401 CA GLN A 77 -7.275 4.547 9.361 1.00 0.00 C ATOM 402 C GLN A 77 -7.055 3.487 8.271 1.00 0.00 C ATOM 403 O GLN A 77 -5.975 2.937 8.111 1.00 0.00 O ATOM 404 CB GLN A 77 -6.535 5.807 8.941 1.00 0.00 C ATOM 405 CG GLN A 77 -6.955 6.997 9.801 1.00 0.00 C ATOM 406 CD GLN A 77 -6.085 8.237 9.631 1.00 0.00 C ATOM 407 OE1 GLN A 77 -5.145 8.337 8.861 1.00 0.00 O ATOM 408 NE2 GLN A 77 -6.375 9.197 10.481 1.00 0.00 N ATOM 0 H GLN A 77 -5.788 4.276 10.815 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.346 4.725 9.462 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.460 5.649 9.031 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.739 6.021 7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.986 7.256 9.562 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -6.937 6.697 10.849 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -7.166 9.094 11.117 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -5.809 10.045 10.505 1.00 0.00 H new ATOM 409 N TYR A 78 -8.075 3.367 7.441 1.00 0.00 N ATOM 410 CA TYR A 78 -8.135 2.447 6.291 1.00 0.00 C ATOM 411 C TYR A 78 -7.395 3.017 5.081 1.00 0.00 C ATOM 412 O TYR A 78 -7.615 4.157 4.661 1.00 0.00 O ATOM 413 CB TYR A 78 -9.615 2.187 5.971 1.00 0.00 C ATOM 414 CG TYR A 78 -10.305 1.387 7.091 1.00 0.00 C ATOM 415 CD1 TYR A 78 -10.855 2.077 8.201 1.00 0.00 C ATOM 416 CD2 TYR A 78 -10.265 -0.023 7.031 1.00 0.00 C ATOM 417 CE1 TYR A 78 -11.345 1.337 9.291 1.00 0.00 C ATOM 418 CE2 TYR A 78 -10.765 -0.763 8.121 1.00 0.00 C ATOM 419 CZ TYR A 78 -11.285 -0.073 9.241 1.00 0.00 C ATOM 420 OH TYR A 78 -11.765 -0.793 10.291 1.00 0.00 O ATOM 0 H TYR A 78 -8.923 3.924 7.543 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.638 1.509 6.540 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.130 3.137 5.832 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.694 1.641 5.031 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.897 3.156 8.209 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -9.859 -0.525 6.166 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.761 1.839 10.153 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.751 -1.843 8.102 1.00 0.00 H new ATOM 0 HH TYR A 78 -11.655 -1.750 10.109 1.00 0.00 H new ATOM 421 N LEU A 79 -6.425 2.237 4.621 1.00 0.00 N ATOM 422 CA LEU A 79 -5.535 2.557 3.491 1.00 0.00 C ATOM 423 C LEU A 79 -6.265 2.347 2.181 1.00 0.00 C ATOM 424 O LEU A 79 -6.565 1.227 1.751 1.00 0.00 O ATOM 425 CB LEU A 79 -4.315 1.627 3.601 1.00 0.00 C ATOM 426 CG LEU A 79 -3.045 2.207 2.971 1.00 0.00 C ATOM 427 CD1 LEU A 79 -2.425 3.237 3.921 1.00 0.00 C ATOM 428 CD2 LEU A 79 -2.015 1.097 2.751 1.00 0.00 C ATOM 0 H LEU A 79 -6.222 1.327 5.035 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.217 3.599 3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.124 1.414 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.548 0.677 3.120 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.311 2.669 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.521 3.649 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.139 4.041 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.173 2.755 4.866 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.116 1.519 2.303 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.763 0.639 3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.432 0.341 2.086 1.00 0.00 H new ATOM 429 N ALA A 80 -6.575 3.497 1.601 1.00 0.00 N ATOM 430 CA ALA A 80 -7.675 3.627 0.651 1.00 0.00 C ATOM 431 C ALA A 80 -7.305 4.537 -0.519 1.00 0.00 C ATOM 432 O ALA A 80 -6.875 5.667 -0.329 1.00 0.00 O ATOM 433 CB ALA A 80 -8.865 4.197 1.431 1.00 0.00 C ATOM 0 H ALA A 80 -6.072 4.368 1.774 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.917 2.657 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.717 4.313 0.761 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.130 3.516 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.596 5.168 1.847 1.00 0.00 H new ATOM 434 N MET A 81 -7.345 3.957 -1.709 1.00 0.00 N ATOM 435 CA MET A 81 -6.945 4.667 -2.939 1.00 0.00 C ATOM 436 C MET A 81 -8.105 5.447 -3.579 1.00 0.00 C ATOM 437 O MET A 81 -9.265 5.047 -3.579 1.00 0.00 O ATOM 438 CB MET A 81 -6.385 3.607 -3.899 1.00 0.00 C ATOM 439 CG MET A 81 -5.735 4.217 -5.139 1.00 0.00 C ATOM 440 SD MET A 81 -5.315 3.007 -6.459 1.00 0.00 S ATOM 441 CE MET A 81 -3.965 2.117 -5.719 1.00 0.00 C ATOM 0 H MET A 81 -7.649 2.995 -1.861 1.00 0.00 H new ATOM 0 HA MET A 81 -6.194 5.421 -2.703 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.651 2.998 -3.372 1.00 0.00 H new ATOM 0 HB3 MET A 81 -7.191 2.940 -4.207 1.00 0.00 H new ATOM 0 HG2 MET A 81 -6.408 4.968 -5.554 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.825 4.736 -4.838 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.693 1.274 -6.354 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.107 2.781 -5.611 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.266 1.750 -4.738 1.00 0.00 H new ATOM 442 N ASP A 82 -7.755 6.677 -3.919 1.00 0.00 N ATOM 443 CA ASP A 82 -8.555 7.567 -4.779 1.00 0.00 C ATOM 444 C ASP A 82 -8.305 7.227 -6.259 1.00 0.00 C ATOM 445 O ASP A 82 -7.295 6.627 -6.629 1.00 0.00 O ATOM 446 CB ASP A 82 -8.115 8.997 -4.419 1.00 0.00 C ATOM 447 CG ASP A 82 -9.035 10.097 -4.949 1.00 0.00 C ATOM 448 OD1 ASP A 82 -10.155 10.197 -4.409 1.00 0.00 O ATOM 449 OD2 ASP A 82 -8.635 10.737 -5.949 1.00 0.00 O ATOM 0 H ASP A 82 -6.885 7.106 -3.602 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.628 7.454 -4.623 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -8.055 9.083 -3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.110 9.163 -4.808 1.00 0.00 H new ATOM 450 N THR A 83 -9.185 7.757 -7.079 1.00 0.00 N ATOM 451 CA THR A 83 -9.175 7.707 -8.559 1.00 0.00 C ATOM 452 C THR A 83 -8.145 8.587 -9.269 1.00 0.00 C ATOM 453 O THR A 83 -8.235 8.897 -10.449 1.00 0.00 O ATOM 454 CB THR A 83 -10.575 8.077 -9.039 1.00 0.00 C ATOM 455 OG1 THR A 83 -11.035 9.207 -8.299 1.00 0.00 O ATOM 456 CG2 THR A 83 -11.545 6.897 -8.899 1.00 0.00 C ATOM 0 H THR A 83 -9.989 8.274 -6.724 1.00 0.00 H new ATOM 0 HA THR A 83 -8.876 6.692 -8.822 1.00 0.00 H new ATOM 0 HB THR A 83 -10.533 8.329 -10.099 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.934 9.453 -8.602 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.533 7.195 -9.250 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.186 6.058 -9.495 1.00 0.00 H new ATOM 0 HG23 THR A 83 -11.606 6.599 -7.852 1.00 0.00 H new ATOM 457 N ASP A 84 -7.165 8.997 -8.479 1.00 0.00 N ATOM 458 CA ASP A 84 -5.875 9.527 -8.959 1.00 0.00 C ATOM 459 C ASP A 84 -4.655 8.697 -8.509 1.00 0.00 C ATOM 460 O ASP A 84 -3.505 9.067 -8.699 1.00 0.00 O ATOM 461 CB ASP A 84 -5.685 10.977 -8.479 1.00 0.00 C ATOM 462 CG ASP A 84 -5.595 11.187 -6.959 1.00 0.00 C ATOM 463 OD1 ASP A 84 -5.975 10.247 -6.229 1.00 0.00 O ATOM 464 OD2 ASP A 84 -5.115 12.267 -6.559 1.00 0.00 O ATOM 0 H ASP A 84 -7.235 8.975 -7.462 1.00 0.00 H new ATOM 0 HA ASP A 84 -5.921 9.475 -10.047 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.776 11.371 -8.933 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.515 11.574 -8.858 1.00 0.00 H new ATOM 465 N GLY A 85 -4.995 7.527 -7.969 1.00 0.00 N ATOM 466 CA GLY A 85 -4.105 6.617 -7.219 1.00 0.00 C ATOM 467 C GLY A 85 -3.315 7.297 -6.089 1.00 0.00 C ATOM 468 O GLY A 85 -2.085 7.227 -6.059 1.00 0.00 O ATOM 0 H GLY A 85 -5.945 7.162 -8.042 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.703 5.810 -6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.401 6.160 -7.915 1.00 0.00 H new ATOM 469 N LEU A 86 -4.055 8.027 -5.289 1.00 0.00 N ATOM 470 CA LEU A 86 -3.515 8.637 -4.059 1.00 0.00 C ATOM 471 C LEU A 86 -4.235 7.977 -2.889 1.00 0.00 C ATOM 472 O LEU A 86 -5.465 7.907 -2.849 1.00 0.00 O ATOM 473 CB LEU A 86 -3.735 10.147 -4.069 1.00 0.00 C ATOM 474 CG LEU A 86 -2.885 10.867 -3.019 1.00 0.00 C ATOM 475 CD1 LEU A 86 -2.535 12.267 -3.519 1.00 0.00 C ATOM 476 CD2 LEU A 86 -3.605 10.947 -1.659 1.00 0.00 C ATOM 0 H LEU A 86 -5.042 8.224 -5.454 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.439 8.480 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.496 10.540 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.789 10.359 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.971 10.293 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.930 12.780 -2.771 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.974 12.191 -4.450 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.451 12.831 -3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.969 11.465 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.541 11.493 -1.775 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.814 9.940 -1.298 1.00 0.00 H new ATOM 477 N LEU A 87 -3.415 7.327 -2.089 1.00 0.00 N ATOM 478 CA LEU A 87 -3.885 6.687 -0.859 1.00 0.00 C ATOM 479 C LEU A 87 -3.975 7.687 0.281 1.00 0.00 C ATOM 480 O LEU A 87 -3.125 8.547 0.511 1.00 0.00 O ATOM 481 CB LEU A 87 -2.995 5.517 -0.419 1.00 0.00 C ATOM 482 CG LEU A 87 -3.135 4.227 -1.229 1.00 0.00 C ATOM 483 CD1 LEU A 87 -2.825 4.367 -2.719 1.00 0.00 C ATOM 484 CD2 LEU A 87 -2.185 3.187 -0.629 1.00 0.00 C ATOM 0 H LEU A 87 -2.415 7.223 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.875 6.295 -1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.955 5.840 -0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.214 5.293 0.625 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.183 3.934 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.951 3.402 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.505 5.093 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.797 4.707 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.265 2.255 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.161 3.556 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.452 3.008 0.413 1.00 0.00 H new ATOM 485 N TYR A 88 -5.135 7.547 0.881 1.00 0.00 N ATOM 486 CA TYR A 88 -5.555 8.347 2.041 1.00 0.00 C ATOM 487 C TYR A 88 -5.975 7.487 3.241 1.00 0.00 C ATOM 488 O TYR A 88 -6.305 6.307 3.111 1.00 0.00 O ATOM 489 CB TYR A 88 -6.635 9.377 1.661 1.00 0.00 C ATOM 490 CG TYR A 88 -7.855 8.767 0.981 1.00 0.00 C ATOM 491 CD1 TYR A 88 -8.905 8.227 1.771 1.00 0.00 C ATOM 492 CD2 TYR A 88 -7.875 8.717 -0.429 1.00 0.00 C ATOM 493 CE1 TYR A 88 -9.985 7.597 1.121 1.00 0.00 C ATOM 494 CE2 TYR A 88 -8.955 8.087 -1.069 1.00 0.00 C ATOM 495 CZ TYR A 88 -9.975 7.507 -0.289 1.00 0.00 C ATOM 496 OH TYR A 88 -10.865 6.697 -0.909 1.00 0.00 O ATOM 0 H TYR A 88 -5.834 6.867 0.583 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.675 8.903 2.365 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.957 9.901 2.561 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -6.196 10.122 0.998 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.876 8.298 2.848 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.074 9.155 -1.006 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.807 7.190 1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.003 8.048 -2.147 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.731 6.746 -1.879 1.00 0.00 H new ATOM 497 N GLY A 89 -5.875 8.147 4.391 1.00 0.00 N ATOM 498 CA GLY A 89 -6.185 7.577 5.711 1.00 0.00 C ATOM 499 C GLY A 89 -7.685 7.657 6.011 1.00 0.00 C ATOM 500 O GLY A 89 -8.155 8.607 6.641 1.00 0.00 O ATOM 0 H GLY A 89 -5.569 9.119 4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.859 6.537 5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.629 8.112 6.481 1.00 0.00 H new ATOM 501 N SER A 90 -8.405 6.617 5.611 1.00 0.00 N ATOM 502 CA SER A 90 -9.875 6.657 5.701 1.00 0.00 C ATOM 503 C SER A 90 -10.485 6.117 6.981 1.00 0.00 C ATOM 504 O SER A 90 -10.225 5.027 7.471 1.00 0.00 O ATOM 505 CB SER A 90 -10.505 5.997 4.461 1.00 0.00 C ATOM 506 OG SER A 90 -11.925 6.137 4.511 1.00 0.00 O ATOM 0 H SER A 90 -8.018 5.754 5.230 1.00 0.00 H new ATOM 0 HA SER A 90 -10.119 7.719 5.731 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.116 6.459 3.554 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.235 4.942 4.422 1.00 0.00 H new ATOM 0 HG SER A 90 -12.346 5.295 4.240 1.00 0.00 H new ATOM 507 N GLN A 91 -11.555 6.847 7.251 1.00 0.00 N ATOM 508 CA GLN A 91 -12.505 6.597 8.341 1.00 0.00 C ATOM 509 C GLN A 91 -13.535 5.497 7.991 1.00 0.00 C ATOM 510 O GLN A 91 -14.345 5.097 8.821 1.00 0.00 O ATOM 511 CB GLN A 91 -13.135 7.947 8.671 1.00 0.00 C ATOM 512 CG GLN A 91 -14.085 8.407 7.581 1.00 0.00 C ATOM 513 CD GLN A 91 -14.835 9.707 7.911 1.00 0.00 C ATOM 514 OE1 GLN A 91 -14.605 10.767 7.351 1.00 0.00 O ATOM 515 NE2 GLN A 91 -15.825 9.607 8.781 1.00 0.00 N ATOM 0 H GLN A 91 -11.802 7.667 6.697 1.00 0.00 H new ATOM 0 HA GLN A 91 -12.001 6.195 9.220 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -13.673 7.876 9.616 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -12.350 8.691 8.807 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -13.522 8.549 6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -14.813 7.618 7.391 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -16.009 8.717 9.244 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -16.405 10.420 8.990 1.00 0.00 H new ATOM 516 N THR A 92 -13.565 5.147 6.711 1.00 0.00 N ATOM 517 CA THR A 92 -14.545 4.227 6.121 1.00 0.00 C ATOM 518 C THR A 92 -13.875 3.117 5.291 1.00 0.00 C ATOM 519 O THR A 92 -13.035 3.417 4.441 1.00 0.00 O ATOM 520 CB THR A 92 -15.565 4.977 5.251 1.00 0.00 C ATOM 521 OG1 THR A 92 -14.885 5.757 4.261 1.00 0.00 O ATOM 522 CG2 THR A 92 -16.535 5.817 6.091 1.00 0.00 C ATOM 0 H THR A 92 -12.892 5.502 6.031 1.00 0.00 H new ATOM 0 HA THR A 92 -15.066 3.759 6.956 1.00 0.00 H new ATOM 0 HB THR A 92 -16.182 4.241 4.736 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.542 6.231 3.710 1.00 0.00 H new ATOM 0 HG21 THR A 92 -17.237 6.329 5.433 1.00 0.00 H new ATOM 0 HG22 THR A 92 -17.084 5.166 6.772 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.974 6.554 6.666 1.00 0.00 H new ATOM 523 N PRO A 93 -14.185 1.857 5.621 1.00 0.00 N ATOM 524 CA PRO A 93 -13.825 0.697 4.791 1.00 0.00 C ATOM 525 C PRO A 93 -14.765 0.587 3.581 1.00 0.00 C ATOM 526 O PRO A 93 -15.985 0.577 3.721 1.00 0.00 O ATOM 527 CB PRO A 93 -13.945 -0.493 5.741 1.00 0.00 C ATOM 528 CG PRO A 93 -14.995 -0.063 6.751 1.00 0.00 C ATOM 529 CD PRO A 93 -14.685 1.427 6.941 1.00 0.00 C ATOM 0 HA PRO A 93 -12.824 0.764 4.365 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -14.249 -1.396 5.211 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.994 -0.713 6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.006 -0.222 6.377 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.910 -0.617 7.686 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -15.574 1.986 7.233 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.940 1.584 7.721 1.00 0.00 H new ATOM 530 N ASN A 94 -14.185 0.577 2.391 1.00 0.00 N ATOM 531 CA ASN A 94 -14.925 0.647 1.121 1.00 0.00 C ATOM 532 C ASN A 94 -14.195 -0.123 0.001 1.00 0.00 C ATOM 533 O ASN A 94 -13.025 -0.473 0.161 1.00 0.00 O ATOM 534 CB ASN A 94 -15.115 2.127 0.761 1.00 0.00 C ATOM 535 CG ASN A 94 -13.795 2.907 0.691 1.00 0.00 C ATOM 536 OD1 ASN A 94 -12.785 2.457 0.171 1.00 0.00 O ATOM 537 ND2 ASN A 94 -13.795 4.077 1.281 1.00 0.00 N ATOM 0 H ASN A 94 -13.174 0.520 2.268 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.899 0.170 1.232 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -15.623 2.198 -0.201 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -15.766 2.593 1.500 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.940 4.632 1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -14.650 4.433 1.708 1.00 0.00 H new ATOM 538 N GLU A 95 -14.805 -0.073 -1.179 1.00 0.00 N ATOM 539 CA GLU A 95 -14.325 -0.693 -2.439 1.00 0.00 C ATOM 540 C GLU A 95 -12.915 -0.263 -2.909 1.00 0.00 C ATOM 541 O GLU A 95 -12.285 -0.903 -3.749 1.00 0.00 O ATOM 542 CB GLU A 95 -15.345 -0.413 -3.539 1.00 0.00 C ATOM 543 CG GLU A 95 -15.145 -1.343 -4.739 1.00 0.00 C ATOM 544 CD GLU A 95 -15.985 -0.923 -5.939 1.00 0.00 C ATOM 545 OE1 GLU A 95 -15.555 0.027 -6.629 1.00 0.00 O ATOM 546 OE2 GLU A 95 -17.055 -1.543 -6.129 1.00 0.00 O ATOM 0 H GLU A 95 -15.689 0.420 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.227 -1.758 -2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.353 -0.540 -3.143 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.258 0.624 -3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.092 -1.350 -5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -15.406 -2.362 -4.454 1.00 0.00 H new ATOM 547 N GLU A 96 -12.395 0.787 -2.279 1.00 0.00 N ATOM 548 CA GLU A 96 -11.095 1.407 -2.629 1.00 0.00 C ATOM 549 C GLU A 96 -9.955 0.967 -1.709 1.00 0.00 C ATOM 550 O GLU A 96 -8.785 1.037 -2.079 1.00 0.00 O ATOM 551 CB GLU A 96 -11.195 2.927 -2.509 1.00 0.00 C ATOM 552 CG GLU A 96 -12.195 3.537 -3.489 1.00 0.00 C ATOM 553 CD GLU A 96 -13.495 3.947 -2.779 1.00 0.00 C ATOM 554 OE1 GLU A 96 -14.325 3.047 -2.519 1.00 0.00 O ATOM 555 OE2 GLU A 96 -13.645 5.167 -2.539 1.00 0.00 O ATOM 0 H GLU A 96 -12.862 1.247 -1.498 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.876 1.086 -3.647 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.486 3.187 -1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -10.212 3.365 -2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.751 4.408 -3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.420 2.818 -4.277 1.00 0.00 H new ATOM 556 N CYS A 97 -10.345 0.787 -0.459 1.00 0.00 N ATOM 557 CA CYS A 97 -9.485 0.227 0.591 1.00 0.00 C ATOM 558 C CYS A 97 -9.245 -1.283 0.411 1.00 0.00 C ATOM 559 O CYS A 97 -8.325 -1.843 1.011 1.00 0.00 O ATOM 560 CB CYS A 97 -10.085 0.457 1.981 1.00 0.00 C ATOM 561 SG CYS A 97 -9.015 -0.023 3.381 1.00 0.00 S ATOM 0 H CYS A 97 -11.281 1.027 -0.131 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.532 0.748 0.503 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -10.334 1.513 2.081 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -11.020 -0.099 2.052 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.785 0.308 3.120 1.00 0.00 H new ATOM 562 N LEU A 98 -10.115 -1.903 -0.379 1.00 0.00 N ATOM 563 CA LEU A 98 -10.035 -3.323 -0.769 1.00 0.00 C ATOM 564 C LEU A 98 -8.875 -3.563 -1.709 1.00 0.00 C ATOM 565 O LEU A 98 -8.865 -3.283 -2.909 1.00 0.00 O ATOM 566 CB LEU A 98 -11.385 -3.753 -1.339 1.00 0.00 C ATOM 567 CG LEU A 98 -12.375 -3.983 -0.209 1.00 0.00 C ATOM 568 CD1 LEU A 98 -13.805 -4.053 -0.749 1.00 0.00 C ATOM 569 CD2 LEU A 98 -12.085 -5.203 0.661 1.00 0.00 C ATOM 0 H LEU A 98 -10.921 -1.426 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.831 -3.946 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.764 -2.987 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.269 -4.666 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.259 -3.120 0.446 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -14.498 -4.218 0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -14.052 -3.116 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.885 -4.875 -1.460 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.844 -5.284 1.439 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.100 -6.102 0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.103 -5.096 1.122 1.00 0.00 H new ATOM 570 N PHE A 99 -7.815 -3.943 -1.029 1.00 0.00 N ATOM 571 CA PHE A 99 -6.485 -4.073 -1.609 1.00 0.00 C ATOM 572 C PHE A 99 -6.075 -5.533 -1.789 1.00 0.00 C ATOM 573 O PHE A 99 -5.755 -6.273 -0.859 1.00 0.00 O ATOM 574 CB PHE A 99 -5.455 -3.333 -0.759 1.00 0.00 C ATOM 575 CG PHE A 99 -5.565 -1.793 -0.729 1.00 0.00 C ATOM 576 CD1 PHE A 99 -6.175 -1.113 -1.809 1.00 0.00 C ATOM 577 CD2 PHE A 99 -4.645 -1.113 0.101 1.00 0.00 C ATOM 578 CE1 PHE A 99 -5.815 0.217 -2.109 1.00 0.00 C ATOM 579 CE2 PHE A 99 -4.275 0.217 -0.189 1.00 0.00 C ATOM 580 CZ PHE A 99 -4.865 0.867 -1.299 1.00 0.00 C ATOM 0 H PHE A 99 -7.849 -4.176 -0.037 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.521 -3.621 -2.600 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.530 -3.700 0.264 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.461 -3.597 -1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.921 -1.615 -2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.224 -1.613 0.960 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.262 0.729 -2.948 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.552 0.732 0.427 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.580 1.883 -1.529 1.00 0.00 H new ATOM 581 N LEU A 100 -6.355 -5.933 -3.009 1.00 0.00 N ATOM 582 CA LEU A 100 -6.195 -7.303 -3.489 1.00 0.00 C ATOM 583 C LEU A 100 -4.725 -7.713 -3.539 1.00 0.00 C ATOM 584 O LEU A 100 -3.925 -7.053 -4.189 1.00 0.00 O ATOM 585 CB LEU A 100 -6.835 -7.393 -4.879 1.00 0.00 C ATOM 586 CG LEU A 100 -7.555 -8.723 -4.929 1.00 0.00 C ATOM 587 CD1 LEU A 100 -8.985 -8.583 -5.469 1.00 0.00 C ATOM 588 CD2 LEU A 100 -6.825 -9.783 -5.769 1.00 0.00 C ATOM 0 H LEU A 100 -6.712 -5.299 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.686 -7.991 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.529 -6.569 -5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.078 -7.331 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.578 -9.059 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.464 -9.562 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.553 -7.913 -4.824 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.954 -8.175 -6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.397 -10.711 -5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.724 -9.428 -6.795 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.836 -9.963 -5.348 1.00 0.00 H new ATOM 589 N GLU A 101 -4.385 -8.553 -2.569 1.00 0.00 N ATOM 590 CA GLU A 101 -3.045 -9.163 -2.519 1.00 0.00 C ATOM 591 C GLU A 101 -2.655 -9.963 -3.759 1.00 0.00 C ATOM 592 O GLU A 101 -2.705 -11.193 -3.829 1.00 0.00 O ATOM 593 CB GLU A 101 -2.745 -9.933 -1.229 1.00 0.00 C ATOM 594 CG GLU A 101 -3.795 -10.953 -0.769 1.00 0.00 C ATOM 595 CD GLU A 101 -3.445 -11.613 0.571 1.00 0.00 C ATOM 596 OE1 GLU A 101 -2.465 -11.173 1.231 1.00 0.00 O ATOM 597 OE2 GLU A 101 -4.205 -12.533 0.951 1.00 0.00 O ATOM 0 H GLU A 101 -5.006 -8.831 -1.809 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.392 -8.290 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.798 -10.456 -1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.602 -9.209 -0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -4.761 -10.457 -0.681 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.901 -11.725 -1.531 1.00 0.00 H new ATOM 598 N ARG A 102 -2.095 -9.203 -4.689 1.00 0.00 N ATOM 599 CA ARG A 102 -1.675 -9.713 -5.989 1.00 0.00 C ATOM 600 C ARG A 102 -0.155 -9.803 -5.979 1.00 0.00 C ATOM 601 O ARG A 102 0.585 -8.843 -6.179 1.00 0.00 O ATOM 602 CB ARG A 102 -2.215 -8.833 -7.109 1.00 0.00 C ATOM 603 CG ARG A 102 -2.155 -9.643 -8.399 1.00 0.00 C ATOM 604 CD ARG A 102 -3.045 -9.043 -9.499 1.00 0.00 C ATOM 605 NE ARG A 102 -2.255 -8.133 -10.339 1.00 0.00 N ATOM 606 CZ ARG A 102 -2.085 -8.253 -11.649 1.00 0.00 C ATOM 607 NH1 ARG A 102 -2.605 -9.273 -12.329 1.00 0.00 N ATOM 608 NH2 ARG A 102 -1.345 -7.393 -12.329 1.00 0.00 N ATOM 0 H ARG A 102 -1.917 -8.207 -4.563 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.082 -10.707 -6.175 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -3.239 -8.527 -6.896 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.623 -7.922 -7.200 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.124 -9.688 -8.751 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -2.468 -10.668 -8.198 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.470 -9.839 -10.110 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.880 -8.505 -9.050 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.800 -7.345 -9.878 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.149 -9.986 -11.843 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -2.459 -9.342 -13.336 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -0.891 -6.618 -11.846 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -1.228 -7.505 -13.336 1.00 0.00 H new ATOM 609 N LEU A 103 0.195 -10.863 -5.259 1.00 0.00 N ATOM 610 CA LEU A 103 1.555 -11.403 -5.209 1.00 0.00 C ATOM 611 C LEU A 103 2.025 -11.683 -6.639 1.00 0.00 C ATOM 612 O LEU A 103 1.415 -12.383 -7.439 1.00 0.00 O ATOM 613 CB LEU A 103 1.545 -12.603 -4.259 1.00 0.00 C ATOM 614 CG LEU A 103 2.915 -13.273 -4.079 1.00 0.00 C ATOM 615 CD1 LEU A 103 3.015 -13.873 -2.679 1.00 0.00 C ATOM 616 CD2 LEU A 103 3.175 -14.343 -5.139 1.00 0.00 C ATOM 0 H LEU A 103 -0.467 -11.382 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 103 2.288 -10.705 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.181 -12.278 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.837 -13.343 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 103 3.681 -12.507 -4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.988 -14.347 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.899 -13.084 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.229 -14.617 -2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.155 -14.790 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.408 -15.115 -5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.147 -13.888 -6.129 1.00 0.00 H new ATOM 617 N GLU A 104 3.085 -10.933 -6.899 1.00 0.00 N ATOM 618 CA GLU A 104 3.645 -10.603 -8.229 1.00 0.00 C ATOM 619 C GLU A 104 4.315 -11.773 -8.969 1.00 0.00 C ATOM 620 O GLU A 104 5.255 -11.563 -9.739 1.00 0.00 O ATOM 621 CB GLU A 104 4.655 -9.483 -7.969 1.00 0.00 C ATOM 622 CG GLU A 104 4.005 -8.133 -7.639 1.00 0.00 C ATOM 623 CD GLU A 104 5.085 -7.063 -7.619 1.00 0.00 C ATOM 624 OE1 GLU A 104 5.445 -6.603 -8.729 1.00 0.00 O ATOM 625 OE2 GLU A 104 5.595 -6.773 -6.509 1.00 0.00 O ATOM 0 H GLU A 104 3.623 -10.503 -6.146 1.00 0.00 H new ATOM 0 HA GLU A 104 2.831 -10.317 -8.895 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.304 -9.775 -7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 104 5.289 -9.366 -8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 104 3.245 -7.888 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.503 -8.181 -6.673 1.00 0.00 H new ATOM 626 N GLU A 105 3.725 -12.973 -8.839 1.00 0.00 N ATOM 627 CA GLU A 105 4.295 -14.303 -9.199 1.00 0.00 C ATOM 628 C GLU A 105 5.555 -14.663 -8.399 1.00 0.00 C ATOM 629 O GLU A 105 5.775 -15.793 -7.989 1.00 0.00 O ATOM 630 CB GLU A 105 4.585 -14.453 -10.699 1.00 0.00 C ATOM 631 CG GLU A 105 3.315 -14.353 -11.549 1.00 0.00 C ATOM 632 CD GLU A 105 3.705 -14.353 -13.019 1.00 0.00 C ATOM 633 OE1 GLU A 105 4.245 -13.313 -13.459 1.00 0.00 O ATOM 634 OE2 GLU A 105 3.495 -15.403 -13.669 1.00 0.00 O ATOM 0 H GLU A 105 2.782 -13.057 -8.459 1.00 0.00 H new ATOM 0 HA GLU A 105 3.507 -15.006 -8.929 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.289 -13.681 -11.010 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.066 -15.414 -10.880 1.00 0.00 H new ATOM 0 HG2 GLU A 105 2.651 -15.191 -11.335 1.00 0.00 H new ATOM 0 HG3 GLU A 105 2.768 -13.442 -11.304 1.00 0.00 H new ATOM 635 N ASN A 106 6.385 -13.633 -8.279 1.00 0.00 N ATOM 636 CA ASN A 106 7.585 -13.513 -7.449 1.00 0.00 C ATOM 637 C ASN A 106 7.155 -13.313 -5.989 1.00 0.00 C ATOM 638 O ASN A 106 6.055 -12.833 -5.729 1.00 0.00 O ATOM 639 CB ASN A 106 8.335 -12.263 -7.919 1.00 0.00 C ATOM 640 CG ASN A 106 8.795 -12.363 -9.379 1.00 0.00 C ATOM 641 OD1 ASN A 106 9.795 -12.973 -9.699 1.00 0.00 O ATOM 642 ND2 ASN A 106 8.045 -11.803 -10.309 1.00 0.00 N ATOM 0 H ASN A 106 6.222 -12.778 -8.810 1.00 0.00 H new ATOM 0 HA ASN A 106 8.212 -14.401 -7.528 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.689 -11.392 -7.805 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.203 -12.103 -7.279 1.00 0.00 H new ATOM 0 HD21 ASN A 106 8.306 -11.884 -11.292 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.204 -11.290 -10.045 1.00 0.00 H new ATOM 643 N HIS A 107 8.125 -13.473 -5.109 1.00 0.00 N ATOM 644 CA HIS A 107 7.995 -13.363 -3.639 1.00 0.00 C ATOM 645 C HIS A 107 7.175 -12.133 -3.189 1.00 0.00 C ATOM 646 O HIS A 107 6.275 -12.243 -2.349 1.00 0.00 O ATOM 647 CB HIS A 107 9.425 -13.283 -3.129 1.00 0.00 C ATOM 648 CG HIS A 107 9.545 -13.553 -1.629 1.00 0.00 C ATOM 649 ND1 HIS A 107 8.555 -13.713 -0.759 1.00 0.00 N ATOM 650 CD2 HIS A 107 10.695 -13.583 -0.969 1.00 0.00 C ATOM 651 CE1 HIS A 107 9.095 -13.823 0.451 1.00 0.00 C ATOM 652 NE2 HIS A 107 10.415 -13.753 0.321 1.00 0.00 N ATOM 0 H HIS A 107 9.078 -13.694 -5.397 1.00 0.00 H new ATOM 0 HA HIS A 107 7.447 -14.215 -3.236 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.038 -14.003 -3.671 1.00 0.00 H new ATOM 0 HB3 HIS A 107 9.827 -12.293 -3.347 1.00 0.00 H new ATOM 0 HD2 HIS A 107 11.680 -13.487 -1.400 1.00 0.00 H new ATOM 0 HE1 HIS A 107 8.555 -13.948 1.378 1.00 0.00 H new ATOM 0 HE2 HIS A 107 11.096 -13.818 1.078 1.00 0.00 H new ATOM 653 N TYR A 108 7.495 -11.003 -3.809 1.00 0.00 N ATOM 654 CA TYR A 108 6.835 -9.703 -3.669 1.00 0.00 C ATOM 655 C TYR A 108 5.325 -9.783 -3.839 1.00 0.00 C ATOM 656 O TYR A 108 4.785 -10.263 -4.829 1.00 0.00 O ATOM 657 CB TYR A 108 7.425 -8.723 -4.699 1.00 0.00 C ATOM 658 CG TYR A 108 8.855 -8.343 -4.339 1.00 0.00 C ATOM 659 CD1 TYR A 108 9.025 -7.453 -3.259 1.00 0.00 C ATOM 660 CD2 TYR A 108 9.925 -9.133 -4.819 1.00 0.00 C ATOM 661 CE1 TYR A 108 10.275 -7.373 -2.619 1.00 0.00 C ATOM 662 CE2 TYR A 108 11.175 -9.053 -4.189 1.00 0.00 C ATOM 663 CZ TYR A 108 11.325 -8.173 -3.089 1.00 0.00 C ATOM 664 OH TYR A 108 12.575 -7.943 -2.609 1.00 0.00 O ATOM 0 H TYR A 108 8.273 -10.964 -4.467 1.00 0.00 H new ATOM 0 HA TYR A 108 7.019 -9.351 -2.654 1.00 0.00 H new ATOM 0 HB2 TYR A 108 7.405 -9.177 -5.690 1.00 0.00 H new ATOM 0 HB3 TYR A 108 6.808 -7.826 -4.746 1.00 0.00 H new ATOM 0 HD1 TYR A 108 8.202 -6.838 -2.926 1.00 0.00 H new ATOM 0 HD2 TYR A 108 9.781 -9.792 -5.663 1.00 0.00 H new ATOM 0 HE1 TYR A 108 10.423 -6.708 -1.781 1.00 0.00 H new ATOM 0 HE2 TYR A 108 12.006 -9.650 -4.535 1.00 0.00 H new ATOM 0 HH TYR A 108 12.590 -7.088 -2.131 1.00 0.00 H new ATOM 665 N ASN A 109 4.715 -9.023 -2.949 1.00 0.00 N ATOM 666 CA ASN A 109 3.265 -8.993 -2.739 1.00 0.00 C ATOM 667 C ASN A 109 2.775 -7.553 -2.729 1.00 0.00 C ATOM 668 O ASN A 109 3.105 -6.773 -1.829 1.00 0.00 O ATOM 669 CB ASN A 109 2.945 -9.623 -1.389 1.00 0.00 C ATOM 670 CG ASN A 109 1.525 -10.153 -1.269 1.00 0.00 C ATOM 671 OD1 ASN A 109 0.575 -9.773 -1.939 1.00 0.00 O ATOM 672 ND2 ASN A 109 1.395 -11.063 -0.329 1.00 0.00 N ATOM 0 H ASN A 109 5.221 -8.389 -2.331 1.00 0.00 H new ATOM 0 HA ASN A 109 2.775 -9.543 -3.542 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.643 -10.441 -1.208 1.00 0.00 H new ATOM 0 HB3 ASN A 109 3.112 -8.883 -0.607 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.481 -11.474 -0.140 1.00 0.00 H new ATOM 0 HD22 ASN A 109 2.208 -11.358 0.212 1.00 0.00 H new ATOM 673 N THR A 110 1.855 -7.303 -3.639 1.00 0.00 N ATOM 674 CA THR A 110 1.385 -5.933 -3.869 1.00 0.00 C ATOM 675 C THR A 110 -0.125 -5.853 -4.099 1.00 0.00 C ATOM 676 O THR A 110 -0.765 -6.783 -4.569 1.00 0.00 O ATOM 677 CB THR A 110 2.155 -5.263 -5.019 1.00 0.00 C ATOM 678 OG1 THR A 110 3.535 -5.623 -4.939 1.00 0.00 O ATOM 679 CG2 THR A 110 2.095 -3.743 -4.939 1.00 0.00 C ATOM 0 H THR A 110 1.418 -8.012 -4.228 1.00 0.00 H new ATOM 0 HA THR A 110 1.590 -5.381 -2.952 1.00 0.00 H new ATOM 0 HB THR A 110 1.693 -5.599 -5.947 1.00 0.00 H new ATOM 0 HG1 THR A 110 4.089 -4.820 -5.035 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.652 -3.313 -5.771 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.056 -3.417 -4.991 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.533 -3.411 -3.998 1.00 0.00 H new ATOM 680 N TYR A 111 -0.655 -4.653 -3.889 1.00 0.00 N ATOM 681 CA TYR A 111 -2.085 -4.473 -3.659 1.00 0.00 C ATOM 682 C TYR A 111 -2.825 -3.703 -4.759 1.00 0.00 C ATOM 683 O TYR A 111 -2.625 -2.503 -4.969 1.00 0.00 O ATOM 684 CB TYR A 111 -2.295 -3.843 -2.269 1.00 0.00 C ATOM 685 CG TYR A 111 -1.645 -4.683 -1.169 1.00 0.00 C ATOM 686 CD1 TYR A 111 -2.155 -5.953 -0.849 1.00 0.00 C ATOM 687 CD2 TYR A 111 -0.415 -4.223 -0.639 1.00 0.00 C ATOM 688 CE1 TYR A 111 -1.405 -6.803 -0.009 1.00 0.00 C ATOM 689 CE2 TYR A 111 0.335 -5.063 0.201 1.00 0.00 C ATOM 690 CZ TYR A 111 -0.165 -6.353 0.491 1.00 0.00 C ATOM 691 OH TYR A 111 0.665 -7.243 1.101 1.00 0.00 O ATOM 0 H TYR A 111 -0.115 -3.788 -3.873 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.539 -5.464 -3.693 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.874 -2.837 -2.257 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -3.362 -3.745 -2.070 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -3.109 -6.274 -1.241 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -0.056 -3.233 -0.879 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -1.775 -7.785 0.248 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.274 -4.730 0.617 1.00 0.00 H new ATOM 0 HH TYR A 111 1.260 -7.646 0.434 1.00 0.00 H new ATOM 692 N ILE A 112 -3.575 -4.493 -5.509 1.00 0.00 N ATOM 693 CA ILE A 112 -4.545 -4.023 -6.519 1.00 0.00 C ATOM 694 C ILE A 112 -5.725 -3.373 -5.799 1.00 0.00 C ATOM 695 O ILE A 112 -6.415 -4.023 -4.999 1.00 0.00 O ATOM 696 CB ILE A 112 -4.955 -5.223 -7.409 1.00 0.00 C ATOM 697 CG1 ILE A 112 -3.885 -5.513 -8.469 1.00 0.00 C ATOM 698 CG2 ILE A 112 -6.365 -5.153 -8.029 1.00 0.00 C ATOM 699 CD1 ILE A 112 -3.695 -4.403 -9.519 1.00 0.00 C ATOM 0 H ILE A 112 -3.535 -5.510 -5.440 1.00 0.00 H new ATOM 0 HA ILE A 112 -4.114 -3.268 -7.176 1.00 0.00 H new ATOM 0 HB ILE A 112 -5.019 -6.064 -6.718 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -2.933 -5.684 -7.966 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.145 -6.438 -8.983 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -6.543 -6.044 -8.631 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -7.109 -5.097 -7.235 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.441 -4.268 -8.661 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.919 -4.699 -10.225 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.631 -4.245 -10.055 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -3.401 -3.479 -9.022 1.00 0.00 H new ATOM 700 N SER A 113 -5.945 -2.113 -6.109 1.00 0.00 N ATOM 701 CA SER A 113 -7.145 -1.443 -5.579 1.00 0.00 C ATOM 702 C SER A 113 -8.395 -1.853 -6.349 1.00 0.00 C ATOM 703 O SER A 113 -8.565 -1.563 -7.529 1.00 0.00 O ATOM 704 CB SER A 113 -7.035 0.077 -5.559 1.00 0.00 C ATOM 705 OG SER A 113 -8.135 0.627 -4.829 1.00 0.00 O ATOM 0 H SER A 113 -5.344 -1.539 -6.700 1.00 0.00 H new ATOM 0 HA SER A 113 -7.226 -1.775 -4.544 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.093 0.378 -5.099 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.031 0.465 -6.578 1.00 0.00 H new ATOM 0 HG SER A 113 -7.994 0.486 -3.869 1.00 0.00 H new ATOM 706 N LYS A 114 -9.075 -2.783 -5.679 1.00 0.00 N ATOM 707 CA LYS A 114 -10.285 -3.513 -6.099 1.00 0.00 C ATOM 708 C LYS A 114 -11.085 -2.853 -7.239 1.00 0.00 C ATOM 709 O LYS A 114 -11.205 -3.413 -8.329 1.00 0.00 O ATOM 710 CB LYS A 114 -11.185 -3.753 -4.879 1.00 0.00 C ATOM 711 CG LYS A 114 -12.495 -4.503 -5.119 1.00 0.00 C ATOM 712 CD LYS A 114 -12.315 -5.933 -5.619 1.00 0.00 C ATOM 713 CE LYS A 114 -13.705 -6.553 -5.729 1.00 0.00 C ATOM 714 NZ LYS A 114 -13.635 -7.923 -6.259 1.00 0.00 N ATOM 0 H LYS A 114 -8.773 -3.074 -4.749 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.935 -4.457 -6.517 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -10.609 -4.306 -4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.425 -2.785 -4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -13.064 -4.524 -4.190 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -13.090 -3.949 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -11.813 -5.942 -6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -11.692 -6.505 -4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -14.180 -6.563 -4.748 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -14.329 -5.940 -6.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -14.585 -8.233 -6.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -13.001 -7.945 -7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.270 -8.561 -5.524 1.00 0.00 H new ATOM 715 N LYS A 115 -11.525 -1.613 -6.999 1.00 0.00 N ATOM 716 CA LYS A 115 -12.305 -0.793 -7.949 1.00 0.00 C ATOM 717 C LYS A 115 -11.755 -0.753 -9.399 1.00 0.00 C ATOM 718 O LYS A 115 -12.505 -0.923 -10.359 1.00 0.00 O ATOM 719 CB LYS A 115 -12.445 0.647 -7.409 1.00 0.00 C ATOM 720 CG LYS A 115 -11.105 1.307 -7.099 1.00 0.00 C ATOM 721 CD LYS A 115 -11.205 2.827 -7.219 1.00 0.00 C ATOM 722 CE LYS A 115 -9.815 3.447 -7.359 1.00 0.00 C ATOM 723 NZ LYS A 115 -9.015 3.207 -6.149 1.00 0.00 N ATOM 0 H LYS A 115 -11.347 -1.134 -6.116 1.00 0.00 H new ATOM 0 HA LYS A 115 -13.274 -1.287 -8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.980 1.252 -8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.053 0.631 -6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -10.787 1.038 -6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -10.344 0.933 -7.784 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -11.815 3.090 -8.083 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -11.704 3.235 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -9.308 3.024 -8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -9.905 4.519 -7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.075 3.636 -6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -9.491 3.632 -5.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.912 2.183 -5.998 1.00 0.00 H new ATOM 724 N HIS A 116 -10.445 -0.583 -9.519 1.00 0.00 N ATOM 725 CA HIS A 116 -9.765 -0.453 -10.819 1.00 0.00 C ATOM 726 C HIS A 116 -8.835 -1.633 -11.149 1.00 0.00 C ATOM 727 O HIS A 116 -7.875 -1.493 -11.909 1.00 0.00 O ATOM 728 CB HIS A 116 -8.995 0.867 -10.819 1.00 0.00 C ATOM 729 CG HIS A 116 -9.805 2.117 -11.179 1.00 0.00 C ATOM 730 ND1 HIS A 116 -9.255 3.317 -11.179 1.00 0.00 N ATOM 731 CD2 HIS A 116 -11.075 2.257 -11.539 1.00 0.00 C ATOM 732 CE1 HIS A 116 -10.165 4.217 -11.529 1.00 0.00 C ATOM 733 NE2 HIS A 116 -11.295 3.547 -11.749 1.00 0.00 N ATOM 0 H HIS A 116 -9.814 -0.530 -8.719 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.523 -0.463 -11.602 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -8.561 1.012 -9.830 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -8.166 0.781 -11.521 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -8.283 3.520 -10.946 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -11.799 1.462 -11.642 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -10.018 5.283 -11.618 1.00 0.00 H new ATOM 734 N ALA A 117 -9.295 -2.823 -10.759 1.00 0.00 N ATOM 735 CA ALA A 117 -8.595 -4.093 -11.019 1.00 0.00 C ATOM 736 C ALA A 117 -8.225 -4.373 -12.489 1.00 0.00 C ATOM 737 O ALA A 117 -7.085 -4.743 -12.779 1.00 0.00 O ATOM 738 CB ALA A 117 -9.455 -5.243 -10.469 1.00 0.00 C ATOM 0 H ALA A 117 -10.171 -2.939 -10.249 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.634 -4.011 -10.511 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.953 -6.193 -10.652 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -9.598 -5.109 -9.397 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -10.424 -5.243 -10.968 1.00 0.00 H new ATOM 739 N GLU A 118 -9.035 -3.803 -13.379 1.00 0.00 N ATOM 740 CA GLU A 118 -8.935 -3.983 -14.839 1.00 0.00 C ATOM 741 C GLU A 118 -7.975 -3.013 -15.519 1.00 0.00 C ATOM 742 O GLU A 118 -7.425 -3.283 -16.589 1.00 0.00 O ATOM 743 CB GLU A 118 -10.315 -3.863 -15.519 1.00 0.00 C ATOM 744 CG GLU A 118 -11.245 -5.053 -15.279 1.00 0.00 C ATOM 745 CD GLU A 118 -11.935 -5.023 -13.919 1.00 0.00 C ATOM 746 OE1 GLU A 118 -12.875 -4.213 -13.789 1.00 0.00 O ATOM 747 OE2 GLU A 118 -11.465 -5.753 -13.019 1.00 0.00 O ATOM 0 H GLU A 118 -9.800 -3.187 -13.105 1.00 0.00 H new ATOM 0 HA GLU A 118 -8.535 -4.989 -14.964 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.805 -2.957 -15.161 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.168 -3.743 -16.592 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -12.003 -5.075 -16.062 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.671 -5.976 -15.366 1.00 0.00 H new ATOM 748 N LYS A 119 -7.905 -1.843 -14.919 1.00 0.00 N ATOM 749 CA LYS A 119 -6.885 -0.813 -15.189 1.00 0.00 C ATOM 750 C LYS A 119 -5.575 -1.093 -14.429 1.00 0.00 C ATOM 751 O LYS A 119 -4.605 -0.353 -14.569 1.00 0.00 O ATOM 752 CB LYS A 119 -7.505 0.517 -14.769 1.00 0.00 C ATOM 753 CG LYS A 119 -8.685 0.917 -15.659 1.00 0.00 C ATOM 754 CD LYS A 119 -9.295 2.237 -15.179 1.00 0.00 C ATOM 755 CE LYS A 119 -8.395 3.437 -15.509 1.00 0.00 C ATOM 756 NZ LYS A 119 -8.955 4.577 -14.779 1.00 0.00 N ATOM 0 H LYS A 119 -8.573 -1.559 -14.203 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.611 -0.803 -16.244 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -7.841 0.448 -13.734 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.745 1.297 -14.806 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.351 1.018 -16.692 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.442 0.133 -15.644 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.271 2.376 -15.644 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -9.459 2.191 -14.102 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -7.365 3.247 -15.205 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.380 3.630 -16.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -9.164 5.347 -15.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.831 4.286 -14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.268 4.908 -14.072 1.00 0.00 H new ATOM 757 N ASN A 120 -5.555 -2.233 -13.729 1.00 0.00 N ATOM 758 CA ASN A 120 -4.425 -2.753 -12.939 1.00 0.00 C ATOM 759 C ASN A 120 -3.705 -1.713 -12.059 1.00 0.00 C ATOM 760 O ASN A 120 -2.485 -1.703 -11.909 1.00 0.00 O ATOM 761 CB ASN A 120 -3.525 -3.503 -13.919 1.00 0.00 C ATOM 762 CG ASN A 120 -2.685 -4.593 -13.239 1.00 0.00 C ATOM 763 OD1 ASN A 120 -1.465 -4.533 -13.149 1.00 0.00 O ATOM 764 ND2 ASN A 120 -3.345 -5.643 -12.809 1.00 0.00 N ATOM 0 H ASN A 120 -6.365 -2.851 -13.694 1.00 0.00 H new ATOM 0 HA ASN A 120 -4.792 -3.433 -12.170 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -4.140 -3.956 -14.696 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -2.861 -2.793 -14.412 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -2.842 -6.426 -12.392 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -4.361 -5.676 -12.892 1.00 0.00 H new ATOM 765 N TRP A 121 -4.545 -0.923 -11.379 1.00 0.00 N ATOM 766 CA TRP A 121 -4.135 0.087 -10.399 1.00 0.00 C ATOM 767 C TRP A 121 -3.595 -0.533 -9.109 1.00 0.00 C ATOM 768 O TRP A 121 -4.315 -1.003 -8.219 1.00 0.00 O ATOM 769 CB TRP A 121 -5.295 1.047 -10.099 1.00 0.00 C ATOM 770 CG TRP A 121 -5.535 2.077 -11.209 1.00 0.00 C ATOM 771 CD1 TRP A 121 -5.365 1.947 -12.519 1.00 0.00 C ATOM 772 CD2 TRP A 121 -5.955 3.377 -10.979 1.00 0.00 C ATOM 773 NE1 TRP A 121 -5.645 3.087 -13.149 1.00 0.00 N ATOM 774 CE2 TRP A 121 -6.005 3.987 -12.249 1.00 0.00 C ATOM 775 CE3 TRP A 121 -6.215 4.127 -9.819 1.00 0.00 C ATOM 776 CZ2 TRP A 121 -6.305 5.347 -12.389 1.00 0.00 C ATOM 777 CZ3 TRP A 121 -6.615 5.467 -9.959 1.00 0.00 C ATOM 778 CH2 TRP A 121 -6.675 6.077 -11.239 1.00 0.00 C ATOM 0 H TRP A 121 -5.557 -0.971 -11.500 1.00 0.00 H new ATOM 0 HA TRP A 121 -3.315 0.651 -10.844 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -6.206 0.468 -9.947 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -5.091 1.571 -9.165 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -5.043 1.040 -13.008 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -5.591 3.240 -14.156 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -6.110 3.683 -8.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -6.255 5.827 -13.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -6.880 6.039 -9.082 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -7.004 7.101 -11.333 1.00 0.00 H new ATOM 779 N PHE A 122 -2.275 -0.543 -9.099 1.00 0.00 N ATOM 780 CA PHE A 122 -1.455 -1.173 -8.059 1.00 0.00 C ATOM 781 C PHE A 122 -0.905 -0.163 -7.039 1.00 0.00 C ATOM 782 O PHE A 122 -1.075 1.047 -7.189 1.00 0.00 O ATOM 783 CB PHE A 122 -0.285 -1.873 -8.759 1.00 0.00 C ATOM 784 CG PHE A 122 -0.415 -3.383 -8.879 1.00 0.00 C ATOM 785 CD1 PHE A 122 -0.485 -4.163 -7.709 1.00 0.00 C ATOM 786 CD2 PHE A 122 -0.085 -3.983 -10.119 1.00 0.00 C ATOM 787 CE1 PHE A 122 -0.195 -5.543 -7.769 1.00 0.00 C ATOM 788 CE2 PHE A 122 0.225 -5.353 -10.179 1.00 0.00 C ATOM 789 CZ PHE A 122 0.175 -6.123 -8.999 1.00 0.00 C ATOM 0 H PHE A 122 -1.719 -0.102 -9.832 1.00 0.00 H new ATOM 0 HA PHE A 122 -2.079 -1.872 -7.502 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -0.176 -1.453 -9.759 1.00 0.00 H new ATOM 0 HB3 PHE A 122 0.632 -1.645 -8.216 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -0.760 -3.707 -6.769 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -0.072 -3.387 -11.020 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.256 -6.151 -6.878 1.00 0.00 H new ATOM 0 HE2 PHE A 122 0.498 -5.810 -11.118 1.00 0.00 H new ATOM 0 HZ PHE A 122 0.424 -7.173 -9.038 1.00 0.00 H new ATOM 790 N VAL A 123 -0.325 -0.673 -5.949 1.00 0.00 N ATOM 791 CA VAL A 123 0.415 0.157 -4.969 1.00 0.00 C ATOM 792 C VAL A 123 1.915 0.177 -5.279 1.00 0.00 C ATOM 793 O VAL A 123 2.545 -0.873 -5.449 1.00 0.00 O ATOM 794 CB VAL A 123 0.095 -0.343 -3.529 1.00 0.00 C ATOM 795 CG1 VAL A 123 0.935 0.317 -2.439 1.00 0.00 C ATOM 796 CG2 VAL A 123 -1.385 -0.103 -3.179 1.00 0.00 C ATOM 0 H VAL A 123 -0.349 -1.665 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 123 0.087 1.194 -5.042 1.00 0.00 H new ATOM 0 HB VAL A 123 0.335 -1.406 -3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 123 0.651 -0.086 -1.467 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.991 0.115 -2.621 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.764 1.393 -2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -1.583 -0.461 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -1.604 0.963 -3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.018 -0.641 -3.885 1.00 0.00 H new ATOM 797 N GLY A 124 2.435 1.387 -5.419 1.00 0.00 N ATOM 798 CA GLY A 124 3.835 1.627 -5.799 1.00 0.00 C ATOM 799 C GLY A 124 4.375 2.987 -5.359 1.00 0.00 C ATOM 800 O GLY A 124 3.725 4.027 -5.459 1.00 0.00 O ATOM 0 H GLY A 124 1.900 2.243 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 124 4.457 0.844 -5.367 1.00 0.00 H new ATOM 0 HA3 GLY A 124 3.926 1.545 -6.882 1.00 0.00 H new ATOM 801 N LEU A 125 5.615 2.937 -4.879 1.00 0.00 N ATOM 802 CA LEU A 125 6.295 4.127 -4.339 1.00 0.00 C ATOM 803 C LEU A 125 7.205 4.837 -5.349 1.00 0.00 C ATOM 804 O LEU A 125 8.145 4.267 -5.889 1.00 0.00 O ATOM 805 CB LEU A 125 7.105 3.797 -3.079 1.00 0.00 C ATOM 806 CG LEU A 125 6.225 3.677 -1.829 1.00 0.00 C ATOM 807 CD1 LEU A 125 7.045 3.097 -0.679 1.00 0.00 C ATOM 808 CD2 LEU A 125 5.625 5.027 -1.429 1.00 0.00 C ATOM 0 H LEU A 125 6.177 2.086 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 125 5.486 4.814 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.643 2.861 -3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.854 4.573 -2.919 1.00 0.00 H new ATOM 0 HG LEU A 125 5.396 3.008 -2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 125 6.418 3.012 0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 125 7.415 2.110 -0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 125 7.888 3.754 -0.466 1.00 0.00 H new ATOM 0 HD21 LEU A 125 5.008 4.902 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.428 5.733 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.012 5.409 -2.245 1.00 0.00 H new ATOM 809 N LYS A 126 6.935 6.137 -5.459 1.00 0.00 N ATOM 810 CA LYS A 126 7.845 7.087 -6.139 1.00 0.00 C ATOM 811 C LYS A 126 9.085 7.307 -5.269 1.00 0.00 C ATOM 812 O LYS A 126 9.005 7.487 -4.059 1.00 0.00 O ATOM 813 CB LYS A 126 7.085 8.387 -6.469 1.00 0.00 C ATOM 814 CG LYS A 126 7.995 9.447 -7.099 1.00 0.00 C ATOM 815 CD LYS A 126 7.325 10.457 -8.039 1.00 0.00 C ATOM 816 CE LYS A 126 6.215 11.297 -7.409 1.00 0.00 C ATOM 817 NZ LYS A 126 6.825 12.397 -6.639 1.00 0.00 N ATOM 0 H LYS A 126 6.089 6.569 -5.086 1.00 0.00 H new ATOM 0 HA LYS A 126 8.193 6.683 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 126 6.265 8.163 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 126 6.641 8.787 -5.558 1.00 0.00 H new ATOM 0 HG2 LYS A 126 8.481 10.000 -6.295 1.00 0.00 H new ATOM 0 HG3 LYS A 126 8.781 8.935 -7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 126 8.090 11.129 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 126 6.911 9.917 -8.890 1.00 0.00 H new ATOM 0 HE2 LYS A 126 5.560 11.697 -8.183 1.00 0.00 H new ATOM 0 HE3 LYS A 126 5.598 10.678 -6.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.094 13.095 -6.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 7.250 12.018 -5.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 7.562 12.855 -7.213 1.00 0.00 H new ATOM 818 N LYS A 127 10.195 7.347 -5.999 1.00 0.00 N ATOM 819 CA LYS A 127 11.575 7.417 -5.469 1.00 0.00 C ATOM 820 C LYS A 127 11.795 8.387 -4.309 1.00 0.00 C ATOM 821 O LYS A 127 12.345 8.017 -3.279 1.00 0.00 O ATOM 822 CB LYS A 127 12.525 7.797 -6.609 1.00 0.00 C ATOM 823 CG LYS A 127 12.555 6.707 -7.669 1.00 0.00 C ATOM 824 CD LYS A 127 13.235 7.277 -8.909 1.00 0.00 C ATOM 825 CE LYS A 127 13.265 6.227 -10.009 1.00 0.00 C ATOM 826 NZ LYS A 127 14.085 6.767 -11.089 1.00 0.00 N ATOM 0 H LYS A 127 10.169 7.331 -7.019 1.00 0.00 H new ATOM 0 HA LYS A 127 11.775 6.426 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 127 12.206 8.738 -7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 127 13.529 7.956 -6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 127 13.097 5.835 -7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 127 11.543 6.378 -7.906 1.00 0.00 H new ATOM 0 HD2 LYS A 127 12.701 8.162 -9.253 1.00 0.00 H new ATOM 0 HD3 LYS A 127 14.250 7.592 -8.666 1.00 0.00 H new ATOM 0 HE2 LYS A 127 13.683 5.291 -9.638 1.00 0.00 H new ATOM 0 HE3 LYS A 127 12.257 6.009 -10.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 14.133 6.078 -11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 13.663 7.652 -11.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 15.044 6.957 -10.735 1.00 0.00 H new ATOM 827 N ASN A 128 11.245 9.587 -4.479 1.00 0.00 N ATOM 828 CA ASN A 128 11.335 10.687 -3.499 1.00 0.00 C ATOM 829 C ASN A 128 10.225 10.617 -2.439 1.00 0.00 C ATOM 830 O ASN A 128 9.415 11.527 -2.229 1.00 0.00 O ATOM 831 CB ASN A 128 11.415 12.017 -4.259 1.00 0.00 C ATOM 832 CG ASN A 128 10.335 12.247 -5.319 1.00 0.00 C ATOM 833 OD1 ASN A 128 10.215 11.537 -6.299 1.00 0.00 O ATOM 834 ND2 ASN A 128 9.505 13.227 -5.069 1.00 0.00 N ATOM 0 H ASN A 128 10.713 9.835 -5.313 1.00 0.00 H new ATOM 0 HA ASN A 128 12.249 10.592 -2.912 1.00 0.00 H new ATOM 0 HB2 ASN A 128 11.365 12.830 -3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 128 12.390 12.079 -4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 128 8.730 13.414 -5.705 1.00 0.00 H new ATOM 0 HD22 ASN A 128 9.633 13.804 -4.238 1.00 0.00 H new ATOM 835 N GLY A 129 10.255 9.447 -1.809 1.00 0.00 N ATOM 836 CA GLY A 129 9.375 8.997 -0.699 1.00 0.00 C ATOM 837 C GLY A 129 7.885 9.297 -0.909 1.00 0.00 C ATOM 838 O GLY A 129 7.205 9.767 0.001 1.00 0.00 O ATOM 0 H GLY A 129 10.934 8.730 -2.066 1.00 0.00 H new ATOM 0 HA2 GLY A 129 9.501 7.923 -0.564 1.00 0.00 H new ATOM 0 HA3 GLY A 129 9.703 9.475 0.224 1.00 0.00 H new ATOM 839 N SER A 130 7.335 8.897 -2.059 1.00 0.00 N ATOM 840 CA SER A 130 5.995 9.367 -2.459 1.00 0.00 C ATOM 841 C SER A 130 5.035 8.277 -2.919 1.00 0.00 C ATOM 842 O SER A 130 5.395 7.307 -3.579 1.00 0.00 O ATOM 843 CB SER A 130 6.115 10.437 -3.539 1.00 0.00 C ATOM 844 OG SER A 130 6.525 11.667 -2.919 1.00 0.00 O ATOM 0 H SER A 130 7.781 8.262 -2.721 1.00 0.00 H new ATOM 0 HA SER A 130 5.556 9.776 -1.549 1.00 0.00 H new ATOM 0 HB2 SER A 130 6.840 10.133 -4.294 1.00 0.00 H new ATOM 0 HB3 SER A 130 5.161 10.569 -4.049 1.00 0.00 H new ATOM 0 HG SER A 130 7.477 11.617 -2.691 1.00 0.00 H new ATOM 845 N CYS A 131 3.765 8.587 -2.719 1.00 0.00 N ATOM 846 CA CYS A 131 2.615 7.747 -3.089 1.00 0.00 C ATOM 847 C CYS A 131 2.065 8.137 -4.459 1.00 0.00 C ATOM 848 O CYS A 131 1.285 9.077 -4.649 1.00 0.00 O ATOM 849 CB CYS A 131 1.525 7.867 -2.019 1.00 0.00 C ATOM 850 SG CYS A 131 -0.145 7.197 -2.389 1.00 0.00 S ATOM 0 H CYS A 131 3.485 9.463 -2.278 1.00 0.00 H new ATOM 0 HA CYS A 131 2.947 6.711 -3.149 1.00 0.00 H new ATOM 0 HB2 CYS A 131 1.889 7.372 -1.119 1.00 0.00 H new ATOM 0 HB3 CYS A 131 1.412 8.924 -1.778 1.00 0.00 H new ATOM 0 HG CYS A 131 -0.372 7.278 -3.666 1.00 0.00 H new ATOM 851 N LYS A 132 2.675 7.447 -5.409 1.00 0.00 N ATOM 852 CA LYS A 132 2.485 7.627 -6.859 1.00 0.00 C ATOM 853 C LYS A 132 1.915 6.327 -7.459 1.00 0.00 C ATOM 854 O LYS A 132 2.635 5.357 -7.669 1.00 0.00 O ATOM 855 CB LYS A 132 3.815 7.967 -7.519 1.00 0.00 C ATOM 856 CG LYS A 132 3.695 8.177 -9.029 1.00 0.00 C ATOM 857 CD LYS A 132 5.035 8.037 -9.759 1.00 0.00 C ATOM 858 CE LYS A 132 5.665 6.657 -9.609 1.00 0.00 C ATOM 859 NZ LYS A 132 4.845 5.647 -10.299 1.00 0.00 N ATOM 0 H LYS A 132 3.348 6.711 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 132 1.788 8.446 -7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 132 4.220 8.870 -7.063 1.00 0.00 H new ATOM 0 HB3 LYS A 132 4.527 7.165 -7.325 1.00 0.00 H new ATOM 0 HG2 LYS A 132 2.988 7.454 -9.436 1.00 0.00 H new ATOM 0 HG3 LYS A 132 3.284 9.168 -9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 132 4.887 8.247 -10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 132 5.728 8.788 -9.379 1.00 0.00 H new ATOM 0 HE2 LYS A 132 6.673 6.662 -10.023 1.00 0.00 H new ATOM 0 HE3 LYS A 132 5.755 6.403 -8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 5.318 4.722 -10.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 3.913 5.585 -9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 4.724 5.920 -11.295 1.00 0.00 H new ATOM 860 N ARG A 133 0.595 6.307 -7.569 1.00 0.00 N ATOM 861 CA ARG A 133 -0.105 5.147 -8.159 1.00 0.00 C ATOM 862 C ARG A 133 -0.825 5.347 -9.499 1.00 0.00 C ATOM 863 O ARG A 133 -0.365 4.927 -10.549 1.00 0.00 O ATOM 864 CB ARG A 133 -1.005 4.417 -7.149 1.00 0.00 C ATOM 865 CG ARG A 133 -0.255 3.767 -5.989 1.00 0.00 C ATOM 866 CD ARG A 133 0.015 4.717 -4.829 1.00 0.00 C ATOM 867 NE ARG A 133 1.265 4.287 -4.209 1.00 0.00 N ATOM 868 CZ ARG A 133 1.475 3.927 -2.939 1.00 0.00 C ATOM 869 NH1 ARG A 133 0.595 4.187 -1.979 1.00 0.00 N ATOM 870 NH2 ARG A 133 2.665 3.517 -2.529 1.00 0.00 N ATOM 0 H ARG A 133 -0.017 7.064 -7.265 1.00 0.00 H new ATOM 0 HA ARG A 133 0.738 4.508 -8.424 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -1.728 5.126 -6.746 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -1.572 3.649 -7.675 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -0.832 2.917 -5.625 1.00 0.00 H new ATOM 0 HG3 ARG A 133 0.694 3.375 -6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.093 5.745 -5.182 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.803 4.689 -4.109 1.00 0.00 H new ATOM 0 HE ARG A 133 2.080 4.258 -4.822 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -0.272 4.675 -2.201 1.00 0.00 H new ATOM 0 HH12 ARG A 133 0.787 3.898 -1.020 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.443 3.471 -3.187 1.00 0.00 H new ATOM 0 HH22 ARG A 133 2.804 3.247 -1.555 1.00 0.00 H new ATOM 871 N GLY A 134 -1.995 5.967 -9.389 1.00 0.00 N ATOM 872 CA GLY A 134 -3.075 6.037 -10.389 1.00 0.00 C ATOM 873 C GLY A 134 -2.955 5.007 -11.509 1.00 0.00 C ATOM 874 O GLY A 134 -2.925 3.817 -11.219 1.00 0.00 O ATOM 0 H GLY A 134 -2.240 6.474 -8.538 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -4.032 5.900 -9.885 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -3.086 7.035 -10.827 1.00 0.00 H new ATOM 875 N PRO A 135 -2.845 5.457 -12.769 1.00 0.00 N ATOM 876 CA PRO A 135 -2.815 4.517 -13.879 1.00 0.00 C ATOM 877 C PRO A 135 -1.385 4.147 -14.349 1.00 0.00 C ATOM 878 O PRO A 135 -1.185 3.607 -15.439 1.00 0.00 O ATOM 879 CB PRO A 135 -3.645 5.207 -14.949 1.00 0.00 C ATOM 880 CG PRO A 135 -3.455 6.707 -14.699 1.00 0.00 C ATOM 881 CD PRO A 135 -2.975 6.847 -13.249 1.00 0.00 C ATOM 0 HA PRO A 135 -3.218 3.542 -13.603 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -3.310 4.929 -15.948 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -4.695 4.925 -14.875 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -2.726 7.127 -15.392 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -4.389 7.248 -14.853 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -2.024 7.377 -13.195 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -3.688 7.410 -12.647 1.00 0.00 H new ATOM 882 N ARG A 136 -0.445 4.337 -13.429 1.00 0.00 N ATOM 883 CA ARG A 136 0.995 4.127 -13.669 1.00 0.00 C ATOM 884 C ARG A 136 1.665 3.007 -12.859 1.00 0.00 C ATOM 885 O ARG A 136 2.705 2.487 -13.249 1.00 0.00 O ATOM 886 CB ARG A 136 1.795 5.437 -13.599 1.00 0.00 C ATOM 887 CG ARG A 136 1.715 6.217 -12.279 1.00 0.00 C ATOM 888 CD ARG A 136 1.075 7.597 -12.489 1.00 0.00 C ATOM 889 NE ARG A 136 1.025 8.287 -11.189 1.00 0.00 N ATOM 890 CZ ARG A 136 -0.085 8.617 -10.519 1.00 0.00 C ATOM 891 NH1 ARG A 136 -1.195 8.947 -11.149 1.00 0.00 N ATOM 892 NH2 ARG A 136 0.015 9.097 -9.289 1.00 0.00 N ATOM 0 H ARG A 136 -0.656 4.645 -12.480 1.00 0.00 H new ATOM 0 HA ARG A 136 1.022 3.757 -14.694 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.842 5.209 -13.798 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.453 6.089 -14.402 1.00 0.00 H new ATOM 0 HG2 ARG A 136 1.133 5.650 -11.553 1.00 0.00 H new ATOM 0 HG3 ARG A 136 2.715 6.336 -11.863 1.00 0.00 H new ATOM 0 HD2 ARG A 136 1.654 8.179 -13.206 1.00 0.00 H new ATOM 0 HD3 ARG A 136 0.072 7.491 -12.901 1.00 0.00 H new ATOM 0 HE ARG A 136 1.917 8.536 -10.761 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -1.220 8.954 -12.169 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -2.029 9.195 -10.617 1.00 0.00 H new ATOM 0 HH21 ARG A 136 0.933 9.213 -8.860 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.826 9.351 -8.771 1.00 0.00 H new ATOM 893 N THR A 137 1.045 2.647 -11.739 1.00 0.00 N ATOM 894 CA THR A 137 1.505 1.507 -10.929 1.00 0.00 C ATOM 895 C THR A 137 0.975 0.187 -11.459 1.00 0.00 C ATOM 896 O THR A 137 -0.215 -0.123 -11.379 1.00 0.00 O ATOM 897 CB THR A 137 1.085 1.637 -9.469 1.00 0.00 C ATOM 898 OG1 THR A 137 -0.255 2.117 -9.419 1.00 0.00 O ATOM 899 CG2 THR A 137 2.065 2.457 -8.649 1.00 0.00 C ATOM 0 H THR A 137 0.223 3.123 -11.366 1.00 0.00 H new ATOM 0 HA THR A 137 2.593 1.519 -10.997 1.00 0.00 H new ATOM 0 HB THR A 137 1.110 0.656 -8.995 1.00 0.00 H new ATOM 0 HG1 THR A 137 -0.727 1.693 -8.672 1.00 0.00 H new ATOM 0 HG21 THR A 137 1.716 2.517 -7.618 1.00 0.00 H new ATOM 0 HG22 THR A 137 3.046 1.982 -8.673 1.00 0.00 H new ATOM 0 HG23 THR A 137 2.137 3.461 -9.066 1.00 0.00 H new ATOM 900 N HIS A 138 1.905 -0.533 -12.069 1.00 0.00 N ATOM 901 CA HIS A 138 1.715 -1.893 -12.599 1.00 0.00 C ATOM 902 C HIS A 138 3.055 -2.603 -12.799 1.00 0.00 C ATOM 903 O HIS A 138 4.145 -2.043 -12.779 1.00 0.00 O ATOM 904 CB HIS A 138 0.835 -1.913 -13.849 1.00 0.00 C ATOM 905 CG HIS A 138 1.235 -0.873 -14.899 1.00 0.00 C ATOM 906 ND1 HIS A 138 2.395 -0.803 -15.529 1.00 0.00 N ATOM 907 CD2 HIS A 138 0.545 0.227 -15.179 1.00 0.00 C ATOM 908 CE1 HIS A 138 2.445 0.357 -16.189 1.00 0.00 C ATOM 909 NE2 HIS A 138 1.285 0.977 -15.979 1.00 0.00 N ATOM 0 H HIS A 138 2.851 -0.181 -12.219 1.00 0.00 H new ATOM 0 HA HIS A 138 1.167 -2.463 -11.849 1.00 0.00 H new ATOM 0 HB2 HIS A 138 0.879 -2.905 -14.298 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -0.201 -1.741 -13.556 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -0.444 0.466 -14.818 1.00 0.00 H new ATOM 0 HE1 HIS A 138 3.270 0.723 -16.781 1.00 0.00 H new ATOM 0 HE2 HIS A 138 1.013 1.879 -16.370 1.00 0.00 H new ATOM 910 N TYR A 139 2.865 -3.913 -12.789 1.00 0.00 N ATOM 911 CA TYR A 139 3.905 -4.943 -12.829 1.00 0.00 C ATOM 912 C TYR A 139 4.975 -4.743 -13.889 1.00 0.00 C ATOM 913 O TYR A 139 4.835 -4.043 -14.899 1.00 0.00 O ATOM 914 CB TYR A 139 3.095 -6.233 -12.969 1.00 0.00 C ATOM 915 CG TYR A 139 3.895 -7.523 -12.839 1.00 0.00 C ATOM 916 CD1 TYR A 139 4.615 -7.833 -11.659 1.00 0.00 C ATOM 917 CD2 TYR A 139 3.825 -8.413 -13.929 1.00 0.00 C ATOM 918 CE1 TYR A 139 5.295 -9.063 -11.589 1.00 0.00 C ATOM 919 CE2 TYR A 139 4.495 -9.643 -13.849 1.00 0.00 C ATOM 920 CZ TYR A 139 5.225 -9.953 -12.689 1.00 0.00 C ATOM 921 OH TYR A 139 5.825 -11.173 -12.609 1.00 0.00 O ATOM 0 H TYR A 139 1.928 -4.315 -12.751 1.00 0.00 H new ATOM 0 HA TYR A 139 4.532 -4.933 -11.937 1.00 0.00 H new ATOM 0 HB2 TYR A 139 2.311 -6.234 -12.212 1.00 0.00 H new ATOM 0 HB3 TYR A 139 2.601 -6.228 -13.940 1.00 0.00 H new ATOM 0 HD1 TYR A 139 4.641 -7.140 -10.831 1.00 0.00 H new ATOM 0 HD2 TYR A 139 3.263 -8.152 -14.814 1.00 0.00 H new ATOM 0 HE1 TYR A 139 5.863 -9.325 -10.708 1.00 0.00 H new ATOM 0 HE2 TYR A 139 4.450 -10.344 -14.670 1.00 0.00 H new ATOM 0 HH TYR A 139 5.205 -11.864 -12.924 1.00 0.00 H new ATOM 922 N GLY A 140 6.115 -5.263 -13.459 1.00 0.00 N ATOM 923 CA GLY A 140 7.435 -5.073 -14.069 1.00 0.00 C ATOM 924 C GLY A 140 8.275 -4.063 -13.259 1.00 0.00 C ATOM 925 O GLY A 140 9.435 -4.313 -12.959 1.00 0.00 O ATOM 0 H GLY A 140 6.153 -5.860 -12.633 1.00 0.00 H new ATOM 0 HA2 GLY A 140 7.957 -6.028 -14.120 1.00 0.00 H new ATOM 0 HA3 GLY A 140 7.319 -4.718 -15.093 1.00 0.00 H new ATOM 926 N GLN A 141 7.605 -3.013 -12.789 1.00 0.00 N ATOM 927 CA GLN A 141 8.255 -1.923 -12.059 1.00 0.00 C ATOM 928 C GLN A 141 8.575 -2.333 -10.619 1.00 0.00 C ATOM 929 O GLN A 141 7.695 -2.643 -9.819 1.00 0.00 O ATOM 930 CB GLN A 141 7.315 -0.723 -12.059 1.00 0.00 C ATOM 931 CG GLN A 141 7.235 -0.023 -13.409 1.00 0.00 C ATOM 932 CD GLN A 141 6.185 1.087 -13.349 1.00 0.00 C ATOM 933 OE1 GLN A 141 6.445 2.237 -13.029 1.00 0.00 O ATOM 934 NE2 GLN A 141 4.945 0.717 -13.579 1.00 0.00 N ATOM 0 H GLN A 141 6.599 -2.892 -12.902 1.00 0.00 H new ATOM 0 HA GLN A 141 9.197 -1.674 -12.548 1.00 0.00 H new ATOM 0 HB2 GLN A 141 6.317 -1.051 -11.768 1.00 0.00 H new ATOM 0 HB3 GLN A 141 7.648 -0.009 -11.306 1.00 0.00 H new ATOM 0 HG2 GLN A 141 8.207 0.395 -13.671 1.00 0.00 H new ATOM 0 HG3 GLN A 141 6.976 -0.741 -14.188 1.00 0.00 H new ATOM 0 HE21 GLN A 141 4.741 -0.246 -13.846 1.00 0.00 H new ATOM 0 HE22 GLN A 141 4.186 1.393 -13.491 1.00 0.00 H new ATOM 935 N LYS A 142 9.855 -2.213 -10.309 1.00 0.00 N ATOM 936 CA LYS A 142 10.365 -2.223 -8.909 1.00 0.00 C ATOM 937 C LYS A 142 9.635 -1.253 -7.999 1.00 0.00 C ATOM 938 O LYS A 142 9.405 -1.543 -6.829 1.00 0.00 O ATOM 939 CB LYS A 142 11.845 -1.843 -8.829 1.00 0.00 C ATOM 940 CG LYS A 142 12.745 -3.043 -9.099 1.00 0.00 C ATOM 941 CD LYS A 142 12.845 -3.253 -10.599 1.00 0.00 C ATOM 942 CE LYS A 142 13.575 -4.553 -10.849 1.00 0.00 C ATOM 943 NZ LYS A 142 13.555 -4.703 -12.299 1.00 0.00 N ATOM 0 H LYS A 142 10.589 -2.104 -11.009 1.00 0.00 H new ATOM 0 HA LYS A 142 10.200 -3.249 -8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 142 12.059 -1.056 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 142 12.065 -1.437 -7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 142 13.735 -2.875 -8.675 1.00 0.00 H new ATOM 0 HG3 LYS A 142 12.340 -3.934 -8.620 1.00 0.00 H new ATOM 0 HD2 LYS A 142 11.851 -3.284 -11.045 1.00 0.00 H new ATOM 0 HD3 LYS A 142 13.377 -2.423 -11.064 1.00 0.00 H new ATOM 0 HE2 LYS A 142 14.595 -4.516 -10.467 1.00 0.00 H new ATOM 0 HE3 LYS A 142 13.079 -5.389 -10.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 14.042 -5.583 -12.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 12.570 -4.739 -12.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 14.039 -3.894 -12.738 1.00 0.00 H new ATOM 944 N ALA A 143 9.195 -0.163 -8.629 1.00 0.00 N ATOM 945 CA ALA A 143 8.185 0.787 -8.109 1.00 0.00 C ATOM 946 C ALA A 143 7.085 0.087 -7.299 1.00 0.00 C ATOM 947 O ALA A 143 6.805 0.507 -6.179 1.00 0.00 O ATOM 948 CB ALA A 143 7.565 1.547 -9.279 1.00 0.00 C ATOM 0 H ALA A 143 9.540 0.101 -9.552 1.00 0.00 H new ATOM 0 HA ALA A 143 8.691 1.475 -7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 143 6.820 2.249 -8.903 1.00 0.00 H new ATOM 0 HB2 ALA A 143 8.343 2.094 -9.811 1.00 0.00 H new ATOM 0 HB3 ALA A 143 7.088 0.841 -9.959 1.00 0.00 H new ATOM 949 N ILE A 144 6.625 -1.063 -7.799 1.00 0.00 N ATOM 950 CA ILE A 144 5.505 -1.793 -7.179 1.00 0.00 C ATOM 951 C ILE A 144 5.935 -3.083 -6.449 1.00 0.00 C ATOM 952 O ILE A 144 5.085 -3.873 -6.039 1.00 0.00 O ATOM 953 CB ILE A 144 4.365 -2.093 -8.179 1.00 0.00 C ATOM 954 CG1 ILE A 144 4.715 -3.183 -9.199 1.00 0.00 C ATOM 955 CG2 ILE A 144 3.905 -0.823 -8.909 1.00 0.00 C ATOM 956 CD1 ILE A 144 3.545 -4.163 -9.279 1.00 0.00 C ATOM 0 H ILE A 144 7.008 -1.512 -8.631 1.00 0.00 H new ATOM 0 HA ILE A 144 5.121 -1.111 -6.420 1.00 0.00 H new ATOM 0 HB ILE A 144 3.545 -2.475 -7.571 1.00 0.00 H new ATOM 0 HG12 ILE A 144 4.906 -2.740 -10.176 1.00 0.00 H new ATOM 0 HG13 ILE A 144 5.625 -3.703 -8.901 1.00 0.00 H new ATOM 0 HG21 ILE A 144 3.103 -1.073 -9.604 1.00 0.00 H new ATOM 0 HG22 ILE A 144 3.542 -0.097 -8.182 1.00 0.00 H new ATOM 0 HG23 ILE A 144 4.743 -0.397 -9.461 1.00 0.00 H new ATOM 0 HD11 ILE A 144 3.776 -4.947 -10.001 1.00 0.00 H new ATOM 0 HD12 ILE A 144 3.377 -4.610 -8.299 1.00 0.00 H new ATOM 0 HD13 ILE A 144 2.647 -3.632 -9.594 1.00 0.00 H new ATOM 957 N LEU A 145 7.235 -3.283 -6.279 1.00 0.00 N ATOM 958 CA LEU A 145 7.785 -4.463 -5.599 1.00 0.00 C ATOM 959 C LEU A 145 7.715 -4.343 -4.079 1.00 0.00 C ATOM 960 O LEU A 145 8.655 -3.903 -3.419 1.00 0.00 O ATOM 961 CB LEU A 145 9.215 -4.713 -6.079 1.00 0.00 C ATOM 962 CG LEU A 145 9.285 -5.923 -7.019 1.00 0.00 C ATOM 963 CD1 LEU A 145 8.675 -5.643 -8.389 1.00 0.00 C ATOM 964 CD2 LEU A 145 10.745 -6.353 -7.169 1.00 0.00 C ATOM 0 H LEU A 145 7.947 -2.631 -6.608 1.00 0.00 H new ATOM 0 HA LEU A 145 7.169 -5.323 -5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 145 9.588 -3.828 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 145 9.865 -4.879 -5.220 1.00 0.00 H new ATOM 0 HG LEU A 145 8.695 -6.724 -6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 145 8.753 -6.535 -9.011 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.625 -5.373 -8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 145 9.210 -4.821 -8.864 1.00 0.00 H new ATOM 0 HD21 LEU A 145 10.804 -7.213 -7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 145 11.326 -5.530 -7.586 1.00 0.00 H new ATOM 0 HD23 LEU A 145 11.147 -6.623 -6.192 1.00 0.00 H new ATOM 965 N PHE A 146 6.605 -4.803 -3.509 1.00 0.00 N ATOM 966 CA PHE A 146 6.385 -4.683 -2.059 1.00 0.00 C ATOM 967 C PHE A 146 6.525 -6.013 -1.349 1.00 0.00 C ATOM 968 O PHE A 146 6.115 -7.073 -1.829 1.00 0.00 O ATOM 969 CB PHE A 146 5.005 -4.123 -1.729 1.00 0.00 C ATOM 970 CG PHE A 146 4.895 -2.613 -1.969 1.00 0.00 C ATOM 971 CD1 PHE A 146 5.045 -2.093 -3.269 1.00 0.00 C ATOM 972 CD2 PHE A 146 4.635 -1.773 -0.869 1.00 0.00 C ATOM 973 CE1 PHE A 146 4.935 -0.703 -3.479 1.00 0.00 C ATOM 974 CE2 PHE A 146 4.505 -0.383 -1.079 1.00 0.00 C ATOM 975 CZ PHE A 146 4.655 0.137 -2.389 1.00 0.00 C ATOM 0 H PHE A 146 5.847 -5.259 -4.017 1.00 0.00 H new ATOM 0 HA PHE A 146 7.155 -3.994 -1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 146 4.257 -4.636 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 146 4.773 -4.337 -0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 146 5.243 -2.754 -4.100 1.00 0.00 H new ATOM 0 HD2 PHE A 146 4.536 -2.187 0.123 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.065 -0.289 -4.468 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.294 0.277 -0.251 1.00 0.00 H new ATOM 0 HZ PHE A 146 4.552 1.200 -2.552 1.00 0.00 H new ATOM 976 N LEU A 147 7.095 -5.893 -0.179 1.00 0.00 N ATOM 977 CA LEU A 147 7.355 -7.043 0.681 1.00 0.00 C ATOM 978 C LEU A 147 6.805 -6.813 2.091 1.00 0.00 C ATOM 979 O LEU A 147 7.215 -5.863 2.771 1.00 0.00 O ATOM 980 CB LEU A 147 8.865 -7.303 0.671 1.00 0.00 C ATOM 981 CG LEU A 147 9.265 -8.703 1.151 1.00 0.00 C ATOM 982 CD1 LEU A 147 8.705 -9.813 0.251 1.00 0.00 C ATOM 983 CD2 LEU A 147 10.795 -8.803 1.151 1.00 0.00 C ATOM 0 H LEU A 147 7.396 -5.001 0.214 1.00 0.00 H new ATOM 0 HA LEU A 147 6.839 -7.927 0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 147 9.241 -7.157 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 147 9.354 -6.561 1.302 1.00 0.00 H new ATOM 0 HG LEU A 147 8.852 -8.842 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 147 9.017 -10.784 0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 147 7.616 -9.759 0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 147 9.083 -9.685 -0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 147 11.095 -9.794 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 147 11.171 -8.636 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 147 11.209 -8.049 1.821 1.00 0.00 H new ATOM 984 N PRO A 148 5.725 -7.523 2.411 1.00 0.00 N ATOM 985 CA PRO A 148 5.145 -7.523 3.761 1.00 0.00 C ATOM 986 C PRO A 148 6.185 -8.083 4.731 1.00 0.00 C ATOM 987 O PRO A 148 6.725 -9.163 4.521 1.00 0.00 O ATOM 988 CB PRO A 148 3.965 -8.493 3.691 1.00 0.00 C ATOM 989 CG PRO A 148 3.555 -8.463 2.221 1.00 0.00 C ATOM 990 CD PRO A 148 4.885 -8.313 1.491 1.00 0.00 C ATOM 0 HA PRO A 148 4.843 -6.528 4.089 1.00 0.00 H new ATOM 0 HB2 PRO A 148 4.253 -9.496 4.006 1.00 0.00 H new ATOM 0 HB3 PRO A 148 3.149 -8.177 4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 148 3.036 -9.376 1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 148 2.883 -7.632 2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 148 5.333 -9.284 1.279 1.00 0.00 H new ATOM 0 HD3 PRO A 148 4.758 -7.805 0.535 1.00 0.00 H new ATOM 991 N LEU A 149 6.595 -7.213 5.631 1.00 0.00 N ATOM 992 CA LEU A 149 7.415 -7.613 6.801 1.00 0.00 C ATOM 993 C LEU A 149 6.565 -7.513 8.071 1.00 0.00 C ATOM 994 O LEU A 149 6.675 -6.533 8.821 1.00 0.00 O ATOM 995 CB LEU A 149 8.685 -6.763 6.841 1.00 0.00 C ATOM 996 CG LEU A 149 9.655 -7.143 5.721 1.00 0.00 C ATOM 997 CD1 LEU A 149 10.775 -6.103 5.651 1.00 0.00 C ATOM 998 CD2 LEU A 149 10.255 -8.543 5.941 1.00 0.00 C ATOM 0 H LEU A 149 6.383 -6.216 5.591 1.00 0.00 H new ATOM 0 HA LEU A 149 7.738 -8.651 6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 149 8.421 -5.709 6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 149 9.176 -6.888 7.806 1.00 0.00 H new ATOM 0 HG LEU A 149 9.103 -7.164 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 149 11.469 -6.369 4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 149 10.348 -5.121 5.447 1.00 0.00 H new ATOM 0 HD13 LEU A 149 11.307 -6.077 6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 149 10.939 -8.778 5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 149 10.797 -8.562 6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.454 -9.282 5.967 1.00 0.00 H new ATOM 999 N PRO A 150 5.675 -8.473 8.321 1.00 0.00 N ATOM 1000 CA PRO A 150 4.625 -8.273 9.321 1.00 0.00 C ATOM 1001 C PRO A 150 5.045 -8.713 10.721 1.00 0.00 C ATOM 1002 O PRO A 150 5.595 -9.783 10.961 1.00 0.00 O ATOM 1003 CB PRO A 150 3.435 -9.023 8.751 1.00 0.00 C ATOM 1004 CG PRO A 150 4.075 -10.213 8.031 1.00 0.00 C ATOM 1005 CD PRO A 150 5.475 -9.753 7.601 1.00 0.00 C ATOM 0 HA PRO A 150 4.387 -7.222 9.483 1.00 0.00 H new ATOM 0 HB2 PRO A 150 2.752 -9.349 9.536 1.00 0.00 H new ATOM 0 HB3 PRO A 150 2.859 -8.401 8.065 1.00 0.00 H new ATOM 0 HG2 PRO A 150 4.135 -11.079 8.690 1.00 0.00 H new ATOM 0 HG3 PRO A 150 3.481 -10.510 7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 150 6.235 -10.485 7.872 1.00 0.00 H new ATOM 0 HD3 PRO A 150 5.535 -9.616 6.521 1.00 0.00 H new