USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=34 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 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 127 LYS NZ :NH3+ 149:sc= 0.717 (180deg=0) USER MOD Set 2.2: A 128 ASN : amide:sc= 0.485 K(o=1.2,f=-3.2) USER MOD Set 3.1: A 115 LYS NZ :NH3+ -102:sc= 0.698 (180deg=-0.204) USER MOD Set 3.2: A 116 HIS : no HE2:sc= 0.208 K(o=0.91,f=-1.4!) USER MOD Set 4.1: A 31 SER OG : rot -41:sc= 0.242 USER MOD Set 4.2: A 108 TYR OH : rot -56:sc= 0.134 USER MOD Set 5.1: A 88 TYR OH : rot 160:sc= 1.23 USER MOD Set 5.2: A 94 ASN : amide:sc= -0.39 K(o=0.84,f=-7.4!) USER MOD Set 6.1: A 72 SER OG : rot 39:sc= 1.04 USER MOD Set 6.2: A 75 THR OG1 : rot -90:sc= 0.954 USER MOD Set 7.1: A 52 SER OG : rot 163:sc= 0.423 USER MOD Set 7.2: A 54 GLN : amide:sc= 0.489 K(o=0.91,f=-1.3) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 82:sc= 0.793 USER MOD Single : A 32 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.2) USER MOD Single : A 35 HIS : no HE2:sc= 0.334 K(o=0.33,f=-1.1) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 48 THR OG1 : rot -123:sc= 0.781 USER MOD Single : A 55 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-5.4!) USER MOD Single : A 57 GLN : amide:sc= 0.0232 X(o=0.023,f=0.25) USER MOD Single : A 59 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.79) 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 138:sc= 0.789 USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= -0.304 (180deg=-0.791) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 1.01 K(o=1,f=-1.7) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 177:sc= 0 (180deg=-0.014) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0611 USER MOD Single : A 90 SER OG : rot -126:sc= 1.69 USER MOD Single : A 91 GLN : amide:sc= -0.0491 X(o=-0.049,f=-0.049) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 CYS SG : rot 44:sc= -2.03! USER MOD Single : A 106 ASN : amide:sc= -1.29 K(o=-1.3,f=-8.1!) USER MOD Single : A 107 HIS : no HD1:sc= -0.0187 X(o=-0.019,f=-0.089) USER MOD Single : A 109 ASN : amide:sc= -0.976 K(o=-0.98,f=-2) USER MOD Single : A 110 THR OG1 : rot -96:sc= 1.3 USER MOD Single : A 111 TYR OH : rot 30:sc= 0 USER MOD Single : A 113 SER OG : rot 91:sc= 0.46 USER MOD Single : A 114 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0633) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 130 SER OG : rot 49:sc= 0.0426 USER MOD Single : A 131 CYS SG : rot -50:sc= -1.31 USER MOD Single : A 137 THR OG1 : rot 137:sc= 0.312 USER MOD Single : A 138 HIS : no HD1:sc=-0.00424 X(o=-0.0042,f=-0.022) USER MOD Single : A 139 TYR OH : rot 169:sc= 0.788 USER MOD Single : A 141 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.17) USER MOD Single : A 142 LYS NZ :NH3+ 153:sc= -0.117 (180deg=-0.734) USER MOD ----------------------------------------------------------------- ATOM 11 N ALA A 26 2.523 -4.994 11.557 1.00 0.00 N ATOM 12 CA ALA A 26 2.952 -5.232 10.168 1.00 0.00 C ATOM 13 C ALA A 26 3.614 -4.035 9.478 1.00 0.00 C ATOM 14 O ALA A 26 3.121 -2.912 9.538 1.00 0.00 O ATOM 15 CB ALA A 26 1.774 -5.765 9.341 1.00 0.00 C ATOM 0 HA ALA A 26 3.741 -5.982 10.226 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.099 -5.939 8.315 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.420 -6.701 9.773 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.965 -5.034 9.347 1.00 0.00 H new ATOM 16 N LEU A 27 4.643 -4.411 8.717 1.00 0.00 N ATOM 17 CA LEU A 27 5.437 -3.471 7.880 1.00 0.00 C ATOM 18 C LEU A 27 5.293 -3.807 6.402 1.00 0.00 C ATOM 19 O LEU A 27 5.251 -4.976 6.017 1.00 0.00 O ATOM 20 CB LEU A 27 6.925 -3.573 8.234 1.00 0.00 C ATOM 21 CG LEU A 27 7.329 -2.949 9.568 1.00 0.00 C ATOM 22 CD1 LEU A 27 8.709 -3.480 9.947 1.00 0.00 C ATOM 23 CD2 LEU A 27 7.370 -1.421 9.486 1.00 0.00 C ATOM 0 H LEU A 27 4.961 -5.378 8.654 1.00 0.00 H new ATOM 0 HA LEU A 27 5.062 -2.466 8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.206 -4.626 8.246 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.502 -3.098 7.441 1.00 0.00 H new ATOM 0 HG LEU A 27 6.589 -3.217 10.322 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.017 -3.046 10.898 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.668 -4.565 10.039 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.428 -3.208 9.174 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.661 -1.012 10.454 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.094 -1.116 8.731 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.384 -1.045 9.215 1.00 0.00 H new ATOM 24 N LEU A 28 5.395 -2.764 5.586 1.00 0.00 N ATOM 25 CA LEU A 28 5.257 -2.886 4.123 1.00 0.00 C ATOM 26 C LEU A 28 6.384 -2.153 3.393 1.00 0.00 C ATOM 27 O LEU A 28 6.392 -0.936 3.244 1.00 0.00 O ATOM 28 CB LEU A 28 3.897 -2.328 3.742 1.00 0.00 C ATOM 29 CG LEU A 28 3.417 -2.802 2.357 1.00 0.00 C ATOM 30 CD1 LEU A 28 3.208 -4.329 2.310 1.00 0.00 C ATOM 31 CD2 LEU A 28 2.100 -2.107 2.007 1.00 0.00 C ATOM 0 H LEU A 28 5.574 -1.813 5.908 1.00 0.00 H new ATOM 0 HA LEU A 28 5.330 -3.932 3.826 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.166 -2.624 4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.942 -1.239 3.752 1.00 0.00 H new ATOM 0 HG LEU A 28 4.191 -2.544 1.634 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.870 -4.619 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.149 -4.832 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.458 -4.616 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.761 -2.443 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.348 -2.355 2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.252 -1.028 1.988 1.00 0.00 H new ATOM 32 N TYR A 29 7.353 -2.963 2.994 1.00 0.00 N ATOM 33 CA TYR A 29 8.584 -2.503 2.333 1.00 0.00 C ATOM 34 C TYR A 29 8.409 -2.443 0.805 1.00 0.00 C ATOM 35 O TYR A 29 7.699 -3.250 0.213 1.00 0.00 O ATOM 36 CB TYR A 29 9.656 -3.512 2.774 1.00 0.00 C ATOM 37 CG TYR A 29 10.936 -3.533 1.957 1.00 0.00 C ATOM 38 CD1 TYR A 29 11.906 -2.511 2.087 1.00 0.00 C ATOM 39 CD2 TYR A 29 11.112 -4.624 1.079 1.00 0.00 C ATOM 40 CE1 TYR A 29 13.075 -2.592 1.301 1.00 0.00 C ATOM 41 CE2 TYR A 29 12.270 -4.705 0.303 1.00 0.00 C ATOM 42 CZ TYR A 29 13.237 -3.681 0.420 1.00 0.00 C ATOM 43 OH TYR A 29 14.282 -3.720 -0.443 1.00 0.00 O ATOM 0 H TYR A 29 7.314 -3.975 3.118 1.00 0.00 H new ATOM 0 HA TYR A 29 8.860 -1.487 2.613 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.916 -3.304 3.812 1.00 0.00 H new ATOM 0 HB3 TYR A 29 9.218 -4.510 2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 29 11.755 -1.689 2.771 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.356 -5.392 1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 29 13.836 -1.829 1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 29 12.424 -5.533 -0.373 1.00 0.00 H new ATOM 0 HH TYR A 29 14.238 -4.543 -0.974 1.00 0.00 H new ATOM 44 N CYS A 30 9.087 -1.481 0.208 1.00 0.00 N ATOM 45 CA CYS A 30 9.153 -1.330 -1.258 1.00 0.00 C ATOM 46 C CYS A 30 10.546 -1.708 -1.747 1.00 0.00 C ATOM 47 O CYS A 30 11.553 -1.248 -1.215 1.00 0.00 O ATOM 48 CB CYS A 30 8.871 0.130 -1.612 1.00 0.00 C ATOM 49 SG CYS A 30 8.823 0.418 -3.418 1.00 0.00 S ATOM 0 H CYS A 30 9.615 -0.772 0.717 1.00 0.00 H new ATOM 0 HA CYS A 30 8.417 -1.980 -1.732 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.918 0.429 -1.175 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.639 0.763 -1.167 1.00 0.00 H new ATOM 0 HG CYS A 30 7.655 0.082 -3.880 1.00 0.00 H new ATOM 50 N SER A 31 10.522 -2.552 -2.773 1.00 0.00 N ATOM 51 CA SER A 31 11.750 -2.984 -3.475 1.00 0.00 C ATOM 52 C SER A 31 12.050 -2.127 -4.715 1.00 0.00 C ATOM 53 O SER A 31 13.145 -2.229 -5.288 1.00 0.00 O ATOM 54 CB SER A 31 11.608 -4.439 -3.904 1.00 0.00 C ATOM 55 OG SER A 31 12.872 -4.997 -4.270 1.00 0.00 O ATOM 0 H SER A 31 9.665 -2.959 -3.147 1.00 0.00 H new ATOM 0 HA SER A 31 12.578 -2.864 -2.777 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.173 -5.020 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 31 10.920 -4.507 -4.747 1.00 0.00 H new ATOM 0 HG SER A 31 13.385 -4.337 -4.782 1.00 0.00 H new ATOM 56 N ASN A 32 11.107 -1.263 -5.113 1.00 0.00 N ATOM 57 CA ASN A 32 11.285 -0.317 -6.235 1.00 0.00 C ATOM 58 C ASN A 32 12.007 0.934 -5.690 1.00 0.00 C ATOM 59 O ASN A 32 11.457 2.028 -5.528 1.00 0.00 O ATOM 60 CB ASN A 32 9.958 0.096 -6.865 1.00 0.00 C ATOM 61 CG ASN A 32 10.188 0.946 -8.122 1.00 0.00 C ATOM 62 OD1 ASN A 32 11.022 0.652 -8.968 1.00 0.00 O ATOM 63 ND2 ASN A 32 9.471 2.038 -8.261 1.00 0.00 N ATOM 0 H ASN A 32 10.192 -1.196 -4.667 1.00 0.00 H new ATOM 0 HA ASN A 32 11.867 -0.809 -7.014 1.00 0.00 H new ATOM 0 HB2 ASN A 32 9.381 -0.792 -7.123 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.368 0.660 -6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 32 9.610 2.639 -9.073 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.775 2.284 -7.557 1.00 0.00 H new ATOM 64 N GLY A 33 13.253 0.658 -5.291 1.00 0.00 N ATOM 65 CA GLY A 33 14.085 1.580 -4.516 1.00 0.00 C ATOM 66 C GLY A 33 13.726 1.412 -3.032 1.00 0.00 C ATOM 67 O GLY A 33 12.550 1.292 -2.678 1.00 0.00 O ATOM 0 H GLY A 33 13.717 -0.226 -5.501 1.00 0.00 H new ATOM 0 HA2 GLY A 33 15.142 1.368 -4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 33 13.913 2.608 -4.835 1.00 0.00 H new ATOM 68 N GLY A 34 14.769 1.388 -2.213 1.00 0.00 N ATOM 69 CA GLY A 34 14.696 1.122 -0.763 1.00 0.00 C ATOM 70 C GLY A 34 13.858 2.141 0.010 1.00 0.00 C ATOM 71 O GLY A 34 14.289 3.281 0.207 1.00 0.00 O ATOM 0 H GLY A 34 15.721 1.557 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.278 0.128 -0.606 1.00 0.00 H new ATOM 0 HA3 GLY A 34 15.706 1.111 -0.354 1.00 0.00 H new ATOM 72 N HIS A 35 12.596 1.775 0.158 1.00 0.00 N ATOM 73 CA HIS A 35 11.660 2.495 1.034 1.00 0.00 C ATOM 74 C HIS A 35 10.683 1.531 1.720 1.00 0.00 C ATOM 75 O HIS A 35 10.633 0.338 1.453 1.00 0.00 O ATOM 76 CB HIS A 35 10.749 3.478 0.279 1.00 0.00 C ATOM 77 CG HIS A 35 11.456 4.421 -0.688 1.00 0.00 C ATOM 78 ND1 HIS A 35 11.798 4.138 -1.946 1.00 0.00 N ATOM 79 CD2 HIS A 35 11.610 5.728 -0.509 1.00 0.00 C ATOM 80 CE1 HIS A 35 12.151 5.271 -2.547 1.00 0.00 C ATOM 81 NE2 HIS A 35 12.007 6.251 -1.658 1.00 0.00 N ATOM 0 H HIS A 35 12.183 0.974 -0.320 1.00 0.00 H new ATOM 0 HA HIS A 35 12.309 3.020 1.735 1.00 0.00 H new ATOM 0 HB2 HIS A 35 10.008 2.904 -0.278 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.206 4.077 1.010 1.00 0.00 H new ATOM 0 HD1 HIS A 35 11.790 3.212 -2.374 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.441 6.268 0.411 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.491 5.376 -3.567 1.00 0.00 H new ATOM 82 N PHE A 36 9.978 2.107 2.676 1.00 0.00 N ATOM 83 CA PHE A 36 8.742 1.588 3.255 1.00 0.00 C ATOM 84 C PHE A 36 7.590 2.503 2.845 1.00 0.00 C ATOM 85 O PHE A 36 7.782 3.679 2.500 1.00 0.00 O ATOM 86 CB PHE A 36 8.848 1.683 4.775 1.00 0.00 C ATOM 87 CG PHE A 36 9.552 0.461 5.338 1.00 0.00 C ATOM 88 CD1 PHE A 36 10.963 0.338 5.204 1.00 0.00 C ATOM 89 CD2 PHE A 36 8.774 -0.601 5.853 1.00 0.00 C ATOM 90 CE1 PHE A 36 11.584 -0.878 5.554 1.00 0.00 C ATOM 91 CE2 PHE A 36 9.403 -1.807 6.210 1.00 0.00 C ATOM 92 CZ PHE A 36 10.802 -1.938 6.055 1.00 0.00 C ATOM 0 H PHE A 36 10.262 2.993 3.094 1.00 0.00 H new ATOM 0 HA PHE A 36 8.579 0.563 2.922 1.00 0.00 H new ATOM 0 HB2 PHE A 36 9.395 2.584 5.051 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.852 1.769 5.210 1.00 0.00 H new ATOM 0 HD1 PHE A 36 11.551 1.167 4.838 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.707 -0.487 5.971 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.651 -0.997 5.439 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.821 -2.628 6.600 1.00 0.00 H new ATOM 0 HZ PHE A 36 11.280 -2.868 6.326 1.00 0.00 H new ATOM 93 N LEU A 37 6.411 1.908 2.858 1.00 0.00 N ATOM 94 CA LEU A 37 5.152 2.666 2.911 1.00 0.00 C ATOM 95 C LEU A 37 5.080 3.321 4.302 1.00 0.00 C ATOM 96 O LEU A 37 5.616 2.788 5.268 1.00 0.00 O ATOM 97 CB LEU A 37 4.042 1.630 2.806 1.00 0.00 C ATOM 98 CG LEU A 37 2.792 2.268 2.218 1.00 0.00 C ATOM 99 CD1 LEU A 37 2.747 1.975 0.716 1.00 0.00 C ATOM 100 CD2 LEU A 37 1.547 1.675 2.885 1.00 0.00 C ATOM 0 H LEU A 37 6.288 0.896 2.833 1.00 0.00 H new ATOM 0 HA LEU A 37 5.074 3.421 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.366 0.799 2.179 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.822 1.219 3.791 1.00 0.00 H new ATOM 0 HG LEU A 37 2.814 3.344 2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.855 2.428 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.633 2.391 0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.721 0.897 0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.654 2.134 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.519 0.599 2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.581 1.869 3.957 1.00 0.00 H new ATOM 101 N ARG A 38 4.634 4.575 4.338 1.00 0.00 N ATOM 102 CA ARG A 38 4.249 5.219 5.612 1.00 0.00 C ATOM 103 C ARG A 38 2.996 6.085 5.486 1.00 0.00 C ATOM 104 O ARG A 38 2.953 7.061 4.747 1.00 0.00 O ATOM 105 CB ARG A 38 5.365 6.032 6.256 1.00 0.00 C ATOM 106 CG ARG A 38 5.724 5.351 7.588 1.00 0.00 C ATOM 107 CD ARG A 38 6.860 5.981 8.376 1.00 0.00 C ATOM 108 NE ARG A 38 6.532 7.379 8.705 1.00 0.00 N ATOM 109 CZ ARG A 38 7.333 8.273 9.306 1.00 0.00 C ATOM 110 NH1 ARG A 38 8.518 7.971 9.793 1.00 0.00 N ATOM 111 NH2 ARG A 38 6.895 9.508 9.494 1.00 0.00 N ATOM 0 H ARG A 38 4.528 5.168 3.515 1.00 0.00 H new ATOM 0 HA ARG A 38 4.030 4.379 6.271 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.235 6.075 5.601 1.00 0.00 H new ATOM 0 HB3 ARG A 38 5.042 7.059 6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.835 5.339 8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 38 5.983 4.312 7.383 1.00 0.00 H new ATOM 0 HD2 ARG A 38 7.036 5.415 9.291 1.00 0.00 H new ATOM 0 HD3 ARG A 38 7.781 5.942 7.795 1.00 0.00 H new ATOM 0 HE ARG A 38 5.599 7.701 8.449 1.00 0.00 H new ATOM 0 HH11 ARG A 38 8.870 7.016 9.723 1.00 0.00 H new ATOM 0 HH12 ARG A 38 9.085 8.692 10.240 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.959 9.770 9.184 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.493 10.197 9.949 1.00 0.00 H new ATOM 112 N ILE A 39 2.065 5.705 6.339 1.00 0.00 N ATOM 113 CA ILE A 39 0.750 6.358 6.504 1.00 0.00 C ATOM 114 C ILE A 39 0.847 7.392 7.627 1.00 0.00 C ATOM 115 O ILE A 39 1.103 7.061 8.775 1.00 0.00 O ATOM 116 CB ILE A 39 -0.379 5.323 6.710 1.00 0.00 C ATOM 117 CG1 ILE A 39 -1.690 6.003 7.139 1.00 0.00 C ATOM 118 CG2 ILE A 39 0.015 4.188 7.670 1.00 0.00 C ATOM 119 CD1 ILE A 39 -2.923 5.354 6.511 1.00 0.00 C ATOM 0 H ILE A 39 2.192 4.909 6.964 1.00 0.00 H new ATOM 0 HA ILE A 39 0.480 6.885 5.589 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.548 4.853 5.741 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.777 5.964 8.225 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.657 7.056 6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.819 3.494 7.774 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.881 3.659 7.272 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.263 4.606 8.646 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.820 5.874 6.848 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -2.854 5.417 5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.976 4.307 6.811 1.00 0.00 H new ATOM 120 N LEU A 40 0.666 8.649 7.242 1.00 0.00 N ATOM 121 CA LEU A 40 0.695 9.749 8.224 1.00 0.00 C ATOM 122 C LEU A 40 -0.719 9.947 8.781 1.00 0.00 C ATOM 123 O LEU A 40 -1.681 9.871 8.019 1.00 0.00 O ATOM 124 CB LEU A 40 1.234 11.015 7.536 1.00 0.00 C ATOM 125 CG LEU A 40 2.633 10.749 6.936 1.00 0.00 C ATOM 126 CD1 LEU A 40 2.940 11.763 5.838 1.00 0.00 C ATOM 127 CD2 LEU A 40 3.719 10.702 8.007 1.00 0.00 C ATOM 0 H LEU A 40 0.500 8.939 6.278 1.00 0.00 H new ATOM 0 HA LEU A 40 1.355 9.519 9.060 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.548 11.329 6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.289 11.832 8.256 1.00 0.00 H new ATOM 0 HG LEU A 40 2.624 9.759 6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.929 11.563 5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.193 11.681 5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.918 12.770 6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.685 10.513 7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.752 11.656 8.534 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.497 9.904 8.715 1.00 0.00 H new ATOM 128 N PRO A 41 -0.860 10.228 10.090 1.00 0.00 N ATOM 129 CA PRO A 41 -2.171 10.374 10.772 1.00 0.00 C ATOM 130 C PRO A 41 -3.097 11.427 10.137 1.00 0.00 C ATOM 131 O PRO A 41 -4.311 11.368 10.311 1.00 0.00 O ATOM 132 CB PRO A 41 -1.832 10.766 12.209 1.00 0.00 C ATOM 133 CG PRO A 41 -0.468 10.144 12.429 1.00 0.00 C ATOM 134 CD PRO A 41 0.232 10.342 11.080 1.00 0.00 C ATOM 0 HA PRO A 41 -2.729 9.441 10.696 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.805 11.848 12.335 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.568 10.381 12.915 1.00 0.00 H new ATOM 0 HG2 PRO A 41 0.072 10.635 13.238 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -0.545 9.089 12.691 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.722 11.314 11.024 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.001 9.587 10.915 1.00 0.00 H new ATOM 135 N ASP A 42 -2.517 12.365 9.401 1.00 0.00 N ATOM 136 CA ASP A 42 -3.259 13.408 8.657 1.00 0.00 C ATOM 137 C ASP A 42 -3.459 13.008 7.185 1.00 0.00 C ATOM 138 O ASP A 42 -3.034 13.701 6.256 1.00 0.00 O ATOM 139 CB ASP A 42 -2.542 14.760 8.839 1.00 0.00 C ATOM 140 CG ASP A 42 -1.106 14.806 8.284 1.00 0.00 C ATOM 141 OD1 ASP A 42 -0.292 13.950 8.707 1.00 0.00 O ATOM 142 OD2 ASP A 42 -0.854 15.709 7.454 1.00 0.00 O ATOM 0 H ASP A 42 -1.505 12.435 9.294 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.266 13.513 9.062 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.131 15.537 8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.514 15.001 9.902 1.00 0.00 H new ATOM 143 N GLY A 43 -4.036 11.815 7.046 1.00 0.00 N ATOM 144 CA GLY A 43 -4.342 11.178 5.755 1.00 0.00 C ATOM 145 C GLY A 43 -3.119 10.667 4.983 1.00 0.00 C ATOM 146 O GLY A 43 -2.880 9.464 4.890 1.00 0.00 O ATOM 0 H GLY A 43 -4.313 11.246 7.846 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.019 10.342 5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.875 11.894 5.130 1.00 0.00 H new ATOM 147 N THR A 44 -2.488 11.617 4.293 1.00 0.00 N ATOM 148 CA THR A 44 -1.356 11.428 3.367 1.00 0.00 C ATOM 149 C THR A 44 -0.431 10.247 3.691 1.00 0.00 C ATOM 150 O THR A 44 0.072 10.083 4.799 1.00 0.00 O ATOM 151 CB THR A 44 -0.541 12.726 3.303 1.00 0.00 C ATOM 152 OG1 THR A 44 -1.468 13.811 3.210 1.00 0.00 O ATOM 153 CG2 THR A 44 0.377 12.780 2.090 1.00 0.00 C ATOM 0 H THR A 44 -2.764 12.596 4.365 1.00 0.00 H new ATOM 0 HA THR A 44 -1.799 11.180 2.402 1.00 0.00 H new ATOM 0 HB THR A 44 0.085 12.782 4.194 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.977 14.658 3.169 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.930 13.719 2.094 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.078 11.946 2.127 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.219 12.713 1.180 1.00 0.00 H new ATOM 154 N VAL A 45 -0.221 9.458 2.641 1.00 0.00 N ATOM 155 CA VAL A 45 0.694 8.312 2.676 1.00 0.00 C ATOM 156 C VAL A 45 1.832 8.620 1.705 1.00 0.00 C ATOM 157 O VAL A 45 1.647 9.099 0.574 1.00 0.00 O ATOM 158 CB VAL A 45 0.026 6.989 2.297 1.00 0.00 C ATOM 159 CG1 VAL A 45 0.885 5.759 2.559 1.00 0.00 C ATOM 160 CG2 VAL A 45 -1.288 6.773 3.073 1.00 0.00 C ATOM 0 H VAL A 45 -0.679 9.592 1.739 1.00 0.00 H new ATOM 0 HA VAL A 45 1.049 8.179 3.698 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.146 7.085 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.338 4.864 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.807 5.829 1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.126 5.703 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.733 5.823 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.081 6.759 4.143 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.981 7.584 2.848 1.00 0.00 H new ATOM 161 N ASP A 46 3.018 8.314 2.184 1.00 0.00 N ATOM 162 CA ASP A 46 4.284 8.638 1.537 1.00 0.00 C ATOM 163 C ASP A 46 5.319 7.510 1.635 1.00 0.00 C ATOM 164 O ASP A 46 5.123 6.536 2.363 1.00 0.00 O ATOM 165 CB ASP A 46 4.763 9.960 2.136 1.00 0.00 C ATOM 166 CG ASP A 46 3.900 11.127 1.619 1.00 0.00 C ATOM 167 OD1 ASP A 46 3.833 11.304 0.376 1.00 0.00 O ATOM 168 OD2 ASP A 46 3.216 11.730 2.468 1.00 0.00 O ATOM 0 H ASP A 46 3.138 7.815 3.065 1.00 0.00 H new ATOM 0 HA ASP A 46 4.141 8.749 0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.710 9.914 3.224 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.808 10.128 1.874 1.00 0.00 H new ATOM 169 N GLY A 47 6.402 7.688 0.885 1.00 0.00 N ATOM 170 CA GLY A 47 7.475 6.695 0.747 1.00 0.00 C ATOM 171 C GLY A 47 8.679 7.128 1.589 1.00 0.00 C ATOM 172 O GLY A 47 9.243 8.200 1.378 1.00 0.00 O ATOM 0 H GLY A 47 6.566 8.538 0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.123 5.716 1.072 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.765 6.599 -0.299 1.00 0.00 H new ATOM 173 N THR A 48 9.074 6.225 2.472 1.00 0.00 N ATOM 174 CA THR A 48 10.090 6.525 3.506 1.00 0.00 C ATOM 175 C THR A 48 11.194 5.473 3.581 1.00 0.00 C ATOM 176 O THR A 48 10.963 4.303 3.871 1.00 0.00 O ATOM 177 CB THR A 48 9.453 6.732 4.884 1.00 0.00 C ATOM 178 OG1 THR A 48 10.469 7.101 5.832 1.00 0.00 O ATOM 179 CG2 THR A 48 8.702 5.515 5.434 1.00 0.00 C ATOM 0 H THR A 48 8.714 5.271 2.505 1.00 0.00 H new ATOM 0 HA THR A 48 10.558 7.460 3.197 1.00 0.00 H new ATOM 0 HB THR A 48 8.713 7.520 4.745 1.00 0.00 H new ATOM 0 HG1 THR A 48 10.471 6.462 6.575 1.00 0.00 H new ATOM 0 HG21 THR A 48 8.286 5.756 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.895 5.247 4.752 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.390 4.675 5.529 1.00 0.00 H new ATOM 180 N ARG A 49 12.415 5.959 3.404 1.00 0.00 N ATOM 181 CA ARG A 49 13.624 5.171 3.712 1.00 0.00 C ATOM 182 C ARG A 49 13.744 4.879 5.227 1.00 0.00 C ATOM 183 O ARG A 49 14.271 3.845 5.634 1.00 0.00 O ATOM 184 CB ARG A 49 14.847 5.892 3.131 1.00 0.00 C ATOM 185 CG ARG A 49 16.226 5.227 3.355 1.00 0.00 C ATOM 186 CD ARG A 49 16.462 3.887 2.630 1.00 0.00 C ATOM 187 NE ARG A 49 15.676 2.814 3.243 1.00 0.00 N ATOM 188 CZ ARG A 49 15.756 1.499 3.030 1.00 0.00 C ATOM 189 NH1 ARG A 49 16.660 0.957 2.221 1.00 0.00 N ATOM 190 NH2 ARG A 49 14.851 0.706 3.580 1.00 0.00 N ATOM 0 H ARG A 49 12.606 6.896 3.049 1.00 0.00 H new ATOM 0 HA ARG A 49 13.557 4.190 3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 49 14.696 6.005 2.057 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.882 6.896 3.555 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.999 5.928 3.040 1.00 0.00 H new ATOM 0 HG3 ARG A 49 16.359 5.066 4.425 1.00 0.00 H new ATOM 0 HD2 ARG A 49 16.192 3.986 1.579 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.521 3.632 2.664 1.00 0.00 H new ATOM 0 HE ARG A 49 14.975 3.111 3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 49 17.330 1.552 1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 49 16.684 -0.054 2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 49 14.108 1.102 4.156 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.896 -0.302 3.428 1.00 0.00 H new ATOM 191 N ASP A 50 13.045 5.690 6.024 1.00 0.00 N ATOM 192 CA ASP A 50 13.055 5.610 7.493 1.00 0.00 C ATOM 193 C ASP A 50 11.889 4.763 7.993 1.00 0.00 C ATOM 194 O ASP A 50 10.737 5.197 8.098 1.00 0.00 O ATOM 195 CB ASP A 50 12.968 7.011 8.087 1.00 0.00 C ATOM 196 CG ASP A 50 14.209 7.856 7.773 1.00 0.00 C ATOM 197 OD1 ASP A 50 14.239 8.439 6.668 1.00 0.00 O ATOM 198 OD2 ASP A 50 15.110 7.869 8.633 1.00 0.00 O ATOM 0 H ASP A 50 12.446 6.433 5.665 1.00 0.00 H new ATOM 0 HA ASP A 50 13.986 5.140 7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 50 12.082 7.513 7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 50 12.845 6.938 9.168 1.00 0.00 H new ATOM 199 N ARG A 51 12.244 3.505 8.192 1.00 0.00 N ATOM 200 CA ARG A 51 11.389 2.457 8.770 1.00 0.00 C ATOM 201 C ARG A 51 10.933 2.889 10.181 1.00 0.00 C ATOM 202 O ARG A 51 11.745 3.085 11.073 1.00 0.00 O ATOM 203 CB ARG A 51 12.260 1.191 8.821 1.00 0.00 C ATOM 204 CG ARG A 51 11.552 -0.095 9.266 1.00 0.00 C ATOM 205 CD ARG A 51 11.952 -0.517 10.685 1.00 0.00 C ATOM 206 NE ARG A 51 11.176 0.238 11.690 1.00 0.00 N ATOM 207 CZ ARG A 51 10.411 -0.291 12.641 1.00 0.00 C ATOM 208 NH1 ARG A 51 10.264 -1.604 12.758 1.00 0.00 N ATOM 209 NH2 ARG A 51 10.029 0.446 13.675 1.00 0.00 N ATOM 0 H ARG A 51 13.173 3.162 7.948 1.00 0.00 H new ATOM 0 HA ARG A 51 10.487 2.278 8.184 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.683 1.025 7.830 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.095 1.375 9.497 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.473 0.053 9.224 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.791 -0.899 8.569 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.782 -1.586 10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.018 -0.344 10.835 1.00 0.00 H new ATOM 0 HE ARG A 51 11.232 1.256 11.651 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.743 -2.230 12.111 1.00 0.00 H new ATOM 0 HH12 ARG A 51 9.672 -1.987 13.495 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.322 1.421 13.742 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.442 0.038 14.403 1.00 0.00 H new ATOM 210 N SER A 52 9.625 3.130 10.295 1.00 0.00 N ATOM 211 CA SER A 52 9.001 3.450 11.597 1.00 0.00 C ATOM 212 C SER A 52 7.530 3.036 11.629 1.00 0.00 C ATOM 213 O SER A 52 6.630 3.678 11.086 1.00 0.00 O ATOM 214 CB SER A 52 9.114 4.905 12.058 1.00 0.00 C ATOM 215 OG SER A 52 8.502 4.961 13.353 1.00 0.00 O ATOM 0 H SER A 52 8.974 3.112 9.510 1.00 0.00 H new ATOM 0 HA SER A 52 9.591 2.864 12.302 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.157 5.219 12.106 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.611 5.575 11.360 1.00 0.00 H new ATOM 0 HG SER A 52 8.775 5.784 13.809 1.00 0.00 H new ATOM 216 N ASP A 53 7.379 1.897 12.273 1.00 0.00 N ATOM 217 CA ASP A 53 6.055 1.309 12.577 1.00 0.00 C ATOM 218 C ASP A 53 5.107 2.162 13.431 1.00 0.00 C ATOM 219 O ASP A 53 3.928 1.829 13.560 1.00 0.00 O ATOM 220 CB ASP A 53 6.192 -0.106 13.152 1.00 0.00 C ATOM 221 CG ASP A 53 6.832 -0.203 14.542 1.00 0.00 C ATOM 222 OD1 ASP A 53 7.283 0.843 15.077 1.00 0.00 O ATOM 223 OD2 ASP A 53 6.924 -1.346 15.047 1.00 0.00 O ATOM 0 H ASP A 53 8.163 1.338 12.609 1.00 0.00 H new ATOM 0 HA ASP A 53 5.565 1.268 11.604 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.201 -0.557 13.197 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.783 -0.704 12.458 1.00 0.00 H new ATOM 224 N GLN A 54 5.623 3.286 13.929 1.00 0.00 N ATOM 225 CA GLN A 54 4.811 4.348 14.552 1.00 0.00 C ATOM 226 C GLN A 54 3.641 4.756 13.644 1.00 0.00 C ATOM 227 O GLN A 54 2.519 4.945 14.105 1.00 0.00 O ATOM 228 CB GLN A 54 5.673 5.584 14.822 1.00 0.00 C ATOM 229 CG GLN A 54 6.601 5.371 16.027 1.00 0.00 C ATOM 230 CD GLN A 54 7.521 6.579 16.216 1.00 0.00 C ATOM 231 OE1 GLN A 54 8.533 6.746 15.545 1.00 0.00 O ATOM 232 NE2 GLN A 54 7.098 7.510 17.038 1.00 0.00 N ATOM 0 H GLN A 54 6.622 3.493 13.915 1.00 0.00 H new ATOM 0 HA GLN A 54 4.417 3.953 15.489 1.00 0.00 H new ATOM 0 HB2 GLN A 54 6.269 5.813 13.939 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.030 6.445 15.005 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.007 5.215 16.927 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.198 4.471 15.879 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.254 7.358 17.590 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.613 8.386 17.125 1.00 0.00 H new ATOM 233 N HIS A 55 3.934 4.759 12.341 1.00 0.00 N ATOM 234 CA HIS A 55 2.915 4.983 11.292 1.00 0.00 C ATOM 235 C HIS A 55 2.599 3.702 10.517 1.00 0.00 C ATOM 236 O HIS A 55 1.453 3.277 10.434 1.00 0.00 O ATOM 237 CB HIS A 55 3.439 6.063 10.348 1.00 0.00 C ATOM 238 CG HIS A 55 3.704 7.374 11.077 1.00 0.00 C ATOM 239 ND1 HIS A 55 4.856 8.028 11.096 1.00 0.00 N ATOM 240 CD2 HIS A 55 2.851 8.024 11.865 1.00 0.00 C ATOM 241 CE1 HIS A 55 4.716 9.089 11.891 1.00 0.00 C ATOM 242 NE2 HIS A 55 3.478 9.094 12.351 1.00 0.00 N ATOM 0 H HIS A 55 4.875 4.608 11.977 1.00 0.00 H new ATOM 0 HA HIS A 55 1.984 5.300 11.761 1.00 0.00 H new ATOM 0 HB2 HIS A 55 4.359 5.718 9.876 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.715 6.231 9.551 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.831 7.735 12.073 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.481 9.817 12.119 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.072 9.795 12.971 1.00 0.00 H new ATOM 243 N ILE A 56 3.661 3.034 10.059 1.00 0.00 N ATOM 244 CA ILE A 56 3.562 1.788 9.292 1.00 0.00 C ATOM 245 C ILE A 56 3.412 0.527 10.170 1.00 0.00 C ATOM 246 O ILE A 56 4.314 -0.292 10.326 1.00 0.00 O ATOM 247 CB ILE A 56 4.660 1.722 8.208 1.00 0.00 C ATOM 248 CG1 ILE A 56 4.487 0.514 7.304 1.00 0.00 C ATOM 249 CG2 ILE A 56 6.112 1.840 8.673 1.00 0.00 C ATOM 250 CD1 ILE A 56 3.352 0.819 6.332 1.00 0.00 C ATOM 0 H ILE A 56 4.621 3.344 10.211 1.00 0.00 H new ATOM 0 HA ILE A 56 2.616 1.802 8.751 1.00 0.00 H new ATOM 0 HB ILE A 56 4.490 2.642 7.649 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.410 0.307 6.762 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.258 -0.374 7.893 1.00 0.00 H new ATOM 0 HG21 ILE A 56 6.776 1.778 7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.257 2.797 9.174 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.339 1.029 9.365 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.203 -0.032 5.668 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.435 1.008 6.891 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.605 1.700 5.742 1.00 0.00 H new ATOM 251 N GLN A 57 2.319 0.603 10.911 1.00 0.00 N ATOM 252 CA GLN A 57 1.721 -0.534 11.621 1.00 0.00 C ATOM 253 C GLN A 57 0.352 -0.759 10.973 1.00 0.00 C ATOM 254 O GLN A 57 -0.455 0.168 10.895 1.00 0.00 O ATOM 255 CB GLN A 57 1.527 -0.202 13.103 1.00 0.00 C ATOM 256 CG GLN A 57 1.525 -1.454 13.984 1.00 0.00 C ATOM 257 CD GLN A 57 2.939 -1.999 14.202 1.00 0.00 C ATOM 258 OE1 GLN A 57 3.467 -2.791 13.429 1.00 0.00 O ATOM 259 NE2 GLN A 57 3.589 -1.536 15.243 1.00 0.00 N ATOM 0 H GLN A 57 1.805 1.474 11.044 1.00 0.00 H new ATOM 0 HA GLN A 57 2.360 -1.414 11.557 1.00 0.00 H new ATOM 0 HB2 GLN A 57 2.322 0.468 13.430 1.00 0.00 H new ATOM 0 HB3 GLN A 57 0.586 0.332 13.233 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.073 -1.219 14.948 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.907 -2.223 13.521 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.135 -0.878 15.876 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.548 -1.834 15.419 1.00 0.00 H new ATOM 260 N LEU A 58 0.286 -1.866 10.246 1.00 0.00 N ATOM 261 CA LEU A 58 -0.941 -2.231 9.489 1.00 0.00 C ATOM 262 C LEU A 58 -1.568 -3.595 9.815 1.00 0.00 C ATOM 263 O LEU A 58 -0.952 -4.458 10.460 1.00 0.00 O ATOM 264 CB LEU A 58 -0.708 -2.055 7.985 1.00 0.00 C ATOM 265 CG LEU A 58 0.377 -2.982 7.413 1.00 0.00 C ATOM 266 CD1 LEU A 58 -0.233 -4.006 6.459 1.00 0.00 C ATOM 267 CD2 LEU A 58 1.413 -2.138 6.676 1.00 0.00 C ATOM 0 H LEU A 58 1.052 -2.533 10.154 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.699 -1.528 9.836 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.644 -2.238 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.429 -1.020 7.789 1.00 0.00 H new ATOM 0 HG LEU A 58 0.852 -3.522 8.232 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.553 -4.651 6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.965 -4.611 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.723 -3.488 5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.187 -2.787 6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.929 -1.594 5.865 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.864 -1.428 7.370 1.00 0.00 H new ATOM 268 N GLN A 59 -2.842 -3.678 9.459 1.00 0.00 N ATOM 269 CA GLN A 59 -3.652 -4.902 9.585 1.00 0.00 C ATOM 270 C GLN A 59 -4.214 -5.273 8.211 1.00 0.00 C ATOM 271 O GLN A 59 -4.867 -4.447 7.571 1.00 0.00 O ATOM 272 CB GLN A 59 -4.845 -4.594 10.503 1.00 0.00 C ATOM 273 CG GLN A 59 -5.275 -5.751 11.400 1.00 0.00 C ATOM 274 CD GLN A 59 -5.695 -6.995 10.624 1.00 0.00 C ATOM 275 OE1 GLN A 59 -4.903 -7.874 10.311 1.00 0.00 O ATOM 276 NE2 GLN A 59 -6.965 -7.080 10.280 1.00 0.00 N ATOM 0 H GLN A 59 -3.358 -2.890 9.068 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.041 -5.713 9.982 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.592 -3.740 11.131 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.693 -4.296 9.886 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.453 -6.009 12.067 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.105 -5.426 12.027 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.616 -6.341 10.546 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.296 -7.884 9.748 1.00 0.00 H new ATOM 277 N LEU A 60 -4.118 -6.545 7.858 1.00 0.00 N ATOM 278 CA LEU A 60 -4.709 -7.026 6.602 1.00 0.00 C ATOM 279 C LEU A 60 -6.069 -7.650 6.911 1.00 0.00 C ATOM 280 O LEU A 60 -6.195 -8.738 7.482 1.00 0.00 O ATOM 281 CB LEU A 60 -3.789 -8.039 5.895 1.00 0.00 C ATOM 282 CG LEU A 60 -2.451 -7.385 5.508 1.00 0.00 C ATOM 283 CD1 LEU A 60 -1.307 -8.128 6.201 1.00 0.00 C ATOM 284 CD2 LEU A 60 -2.264 -7.373 4.000 1.00 0.00 C ATOM 0 H LEU A 60 -3.645 -7.261 8.409 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.834 -6.184 5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.606 -8.890 6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.282 -8.424 5.002 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.452 -6.347 5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.357 -7.668 5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.440 -8.075 7.282 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.308 -9.172 5.886 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.310 -6.905 3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.273 -8.396 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.074 -6.809 3.537 1.00 0.00 H new ATOM 285 N SER A 61 -7.073 -6.831 6.659 1.00 0.00 N ATOM 286 CA SER A 61 -8.453 -7.129 7.054 1.00 0.00 C ATOM 287 C SER A 61 -9.319 -7.541 5.861 1.00 0.00 C ATOM 288 O SER A 61 -10.070 -6.772 5.264 1.00 0.00 O ATOM 289 CB SER A 61 -9.008 -5.916 7.810 1.00 0.00 C ATOM 290 OG SER A 61 -10.384 -6.111 8.123 1.00 0.00 O ATOM 0 H SER A 61 -6.964 -5.939 6.176 1.00 0.00 H new ATOM 0 HA SER A 61 -8.469 -7.994 7.717 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.439 -5.760 8.726 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.890 -5.017 7.204 1.00 0.00 H new ATOM 0 HG SER A 61 -10.723 -5.329 8.607 1.00 0.00 H new ATOM 291 N ALA A 62 -8.926 -8.705 5.369 1.00 0.00 N ATOM 292 CA ALA A 62 -9.625 -9.449 4.321 1.00 0.00 C ATOM 293 C ALA A 62 -11.150 -9.529 4.465 1.00 0.00 C ATOM 294 O ALA A 62 -11.682 -9.787 5.546 1.00 0.00 O ATOM 295 CB ALA A 62 -9.047 -10.866 4.235 1.00 0.00 C ATOM 0 H ALA A 62 -8.084 -9.178 5.696 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.456 -8.881 3.406 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.565 -11.424 3.455 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.985 -10.812 3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.179 -11.372 5.192 1.00 0.00 H new ATOM 296 N GLU A 63 -11.744 -8.864 3.484 1.00 0.00 N ATOM 297 CA GLU A 63 -13.139 -9.101 3.073 1.00 0.00 C ATOM 298 C GLU A 63 -13.218 -10.322 2.131 1.00 0.00 C ATOM 299 O GLU A 63 -14.287 -10.845 1.802 1.00 0.00 O ATOM 300 CB GLU A 63 -13.616 -7.828 2.383 1.00 0.00 C ATOM 301 CG GLU A 63 -15.135 -7.759 2.242 1.00 0.00 C ATOM 302 CD GLU A 63 -15.535 -6.693 1.229 1.00 0.00 C ATOM 303 OE1 GLU A 63 -15.257 -6.928 0.028 1.00 0.00 O ATOM 304 OE2 GLU A 63 -16.113 -5.674 1.664 1.00 0.00 O ATOM 0 H GLU A 63 -11.276 -8.138 2.941 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.775 -9.325 3.929 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.269 -6.963 2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.162 -7.765 1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.520 -8.729 1.928 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.585 -7.535 3.209 1.00 0.00 H new ATOM 305 N SER A 64 -12.058 -10.600 1.541 1.00 0.00 N ATOM 306 CA SER A 64 -11.650 -11.787 0.773 1.00 0.00 C ATOM 307 C SER A 64 -10.120 -11.816 0.857 1.00 0.00 C ATOM 308 O SER A 64 -9.496 -10.754 0.962 1.00 0.00 O ATOM 309 CB SER A 64 -12.067 -11.697 -0.700 1.00 0.00 C ATOM 310 OG SER A 64 -11.485 -12.787 -1.430 1.00 0.00 O ATOM 0 H SER A 64 -11.292 -9.928 1.592 1.00 0.00 H new ATOM 0 HA SER A 64 -12.124 -12.681 1.178 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.153 -11.728 -0.784 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.742 -10.747 -1.124 1.00 0.00 H new ATOM 0 HG SER A 64 -11.753 -12.731 -2.371 1.00 0.00 H new ATOM 311 N VAL A 65 -9.549 -13.013 0.792 1.00 0.00 N ATOM 312 CA VAL A 65 -8.081 -13.256 0.876 1.00 0.00 C ATOM 313 C VAL A 65 -7.304 -12.267 -0.015 1.00 0.00 C ATOM 314 O VAL A 65 -6.271 -11.736 0.386 1.00 0.00 O ATOM 315 CB VAL A 65 -7.773 -14.721 0.490 1.00 0.00 C ATOM 316 CG1 VAL A 65 -6.268 -15.042 0.589 1.00 0.00 C ATOM 317 CG2 VAL A 65 -8.523 -15.715 1.388 1.00 0.00 C ATOM 0 H VAL A 65 -10.089 -13.871 0.677 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.754 -13.090 1.902 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.104 -14.827 -0.543 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.099 -16.082 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.712 -14.390 -0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.928 -14.882 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -8.280 -16.734 1.085 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.225 -15.564 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.597 -15.554 1.292 1.00 0.00 H new ATOM 318 N GLY A 66 -7.815 -12.088 -1.238 1.00 0.00 N ATOM 319 CA GLY A 66 -7.370 -11.050 -2.179 1.00 0.00 C ATOM 320 C GLY A 66 -7.526 -9.648 -1.572 1.00 0.00 C ATOM 321 O GLY A 66 -6.599 -9.092 -0.979 1.00 0.00 O ATOM 0 H GLY A 66 -8.564 -12.671 -1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.327 -11.220 -2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.949 -11.117 -3.100 1.00 0.00 H new ATOM 322 N GLU A 67 -8.673 -9.050 -1.831 1.00 0.00 N ATOM 323 CA GLU A 67 -9.035 -7.701 -1.350 1.00 0.00 C ATOM 324 C GLU A 67 -9.149 -7.589 0.178 1.00 0.00 C ATOM 325 O GLU A 67 -10.152 -7.919 0.829 1.00 0.00 O ATOM 326 CB GLU A 67 -10.245 -7.098 -2.075 1.00 0.00 C ATOM 327 CG GLU A 67 -11.535 -7.935 -2.029 1.00 0.00 C ATOM 328 CD GLU A 67 -11.663 -8.817 -3.268 1.00 0.00 C ATOM 329 OE1 GLU A 67 -11.034 -9.906 -3.259 1.00 0.00 O ATOM 330 OE2 GLU A 67 -12.351 -8.379 -4.211 1.00 0.00 O ATOM 0 H GLU A 67 -9.405 -9.485 -2.392 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.180 -7.082 -1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.453 -6.119 -1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.976 -6.935 -3.119 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.536 -8.557 -1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.399 -7.274 -1.959 1.00 0.00 H new ATOM 331 N VAL A 68 -8.076 -7.007 0.694 1.00 0.00 N ATOM 332 CA VAL A 68 -7.909 -6.723 2.136 1.00 0.00 C ATOM 333 C VAL A 68 -8.133 -5.225 2.397 1.00 0.00 C ATOM 334 O VAL A 68 -7.786 -4.373 1.598 1.00 0.00 O ATOM 335 CB VAL A 68 -6.535 -7.170 2.664 1.00 0.00 C ATOM 336 CG1 VAL A 68 -6.379 -8.688 2.591 1.00 0.00 C ATOM 337 CG2 VAL A 68 -5.341 -6.494 1.987 1.00 0.00 C ATOM 0 H VAL A 68 -7.281 -6.711 0.128 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.656 -7.302 2.679 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.522 -6.844 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.398 -8.972 2.971 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.153 -9.163 3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.475 -9.014 1.555 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.415 -6.870 2.422 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.355 -6.714 0.920 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.401 -5.416 2.136 1.00 0.00 H new ATOM 338 N TYR A 69 -8.772 -4.959 3.532 1.00 0.00 N ATOM 339 CA TYR A 69 -8.865 -3.601 4.090 1.00 0.00 C ATOM 340 C TYR A 69 -7.648 -3.392 4.983 1.00 0.00 C ATOM 341 O TYR A 69 -7.465 -4.098 5.968 1.00 0.00 O ATOM 342 CB TYR A 69 -10.114 -3.428 4.975 1.00 0.00 C ATOM 343 CG TYR A 69 -11.429 -3.450 4.192 1.00 0.00 C ATOM 344 CD1 TYR A 69 -11.762 -2.315 3.415 1.00 0.00 C ATOM 345 CD2 TYR A 69 -12.365 -4.469 4.462 1.00 0.00 C ATOM 346 CE1 TYR A 69 -13.066 -2.200 2.904 1.00 0.00 C ATOM 347 CE2 TYR A 69 -13.670 -4.350 3.960 1.00 0.00 C ATOM 348 CZ TYR A 69 -14.003 -3.215 3.183 1.00 0.00 C ATOM 349 OH TYR A 69 -15.251 -3.099 2.656 1.00 0.00 O ATOM 0 H TYR A 69 -9.240 -5.670 4.094 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.919 -2.890 3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -10.132 -4.222 5.722 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.038 -2.484 5.515 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -11.026 -1.550 3.218 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -12.081 -5.331 5.048 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -13.346 -1.346 2.306 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -14.408 -5.112 4.163 1.00 0.00 H new ATOM 0 HH TYR A 69 -15.546 -3.970 2.318 1.00 0.00 H new ATOM 350 N ILE A 70 -6.719 -2.575 4.505 1.00 0.00 N ATOM 351 CA ILE A 70 -5.528 -2.307 5.325 1.00 0.00 C ATOM 352 C ILE A 70 -5.827 -1.189 6.311 1.00 0.00 C ATOM 353 O ILE A 70 -5.841 -0.009 6.005 1.00 0.00 O ATOM 354 CB ILE A 70 -4.291 -2.075 4.448 1.00 0.00 C ATOM 355 CG1 ILE A 70 -4.079 -3.275 3.497 1.00 0.00 C ATOM 356 CG2 ILE A 70 -3.051 -1.868 5.333 1.00 0.00 C ATOM 357 CD1 ILE A 70 -2.979 -3.129 2.453 1.00 0.00 C ATOM 0 H ILE A 70 -6.752 -2.103 3.601 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.279 -3.183 5.923 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.446 -1.179 3.847 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.861 -4.155 4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.018 -3.469 2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.177 -1.704 4.702 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.203 -1.000 5.975 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.892 -2.753 5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.929 -4.035 1.848 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.198 -2.276 1.811 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.023 -2.972 2.952 1.00 0.00 H new ATOM 358 N LYS A 71 -6.108 -1.651 7.509 1.00 0.00 N ATOM 359 CA LYS A 71 -6.415 -0.784 8.653 1.00 0.00 C ATOM 360 C LYS A 71 -5.081 -0.562 9.356 1.00 0.00 C ATOM 361 O LYS A 71 -4.474 -1.483 9.905 1.00 0.00 O ATOM 362 CB LYS A 71 -7.378 -1.562 9.535 1.00 0.00 C ATOM 363 CG LYS A 71 -8.073 -0.642 10.549 1.00 0.00 C ATOM 364 CD LYS A 71 -7.299 -0.513 11.860 1.00 0.00 C ATOM 365 CE LYS A 71 -8.017 0.440 12.804 1.00 0.00 C ATOM 366 NZ LYS A 71 -7.226 0.570 14.035 1.00 0.00 N ATOM 0 H LYS A 71 -6.133 -2.646 7.731 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.866 0.173 8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.127 -2.054 8.914 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.837 -2.347 10.064 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.199 0.347 10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -9.071 -1.028 10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.197 -1.492 12.328 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.291 -0.149 11.661 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.144 1.414 12.332 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.014 0.064 13.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.810 1.003 14.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.911 -0.371 14.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.396 1.170 13.853 1.00 0.00 H new ATOM 367 N SER A 72 -4.640 0.681 9.320 1.00 0.00 N ATOM 368 CA SER A 72 -3.354 1.086 9.909 1.00 0.00 C ATOM 369 C SER A 72 -3.541 1.315 11.418 1.00 0.00 C ATOM 370 O SER A 72 -4.031 2.345 11.858 1.00 0.00 O ATOM 371 CB SER A 72 -2.744 2.282 9.189 1.00 0.00 C ATOM 372 OG SER A 72 -1.649 2.828 9.940 1.00 0.00 O ATOM 0 H SER A 72 -5.154 1.447 8.885 1.00 0.00 H new ATOM 0 HA SER A 72 -2.629 0.283 9.777 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.397 1.979 8.201 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.505 3.048 9.039 1.00 0.00 H new ATOM 0 HG SER A 72 -1.130 2.099 10.339 1.00 0.00 H new ATOM 373 N THR A 73 -3.648 0.140 12.006 1.00 0.00 N ATOM 374 CA THR A 73 -3.727 -0.154 13.461 1.00 0.00 C ATOM 375 C THR A 73 -3.263 0.930 14.453 1.00 0.00 C ATOM 376 O THR A 73 -3.958 1.174 15.429 1.00 0.00 O ATOM 377 CB THR A 73 -3.054 -1.486 13.793 1.00 0.00 C ATOM 378 OG1 THR A 73 -1.727 -1.546 13.261 1.00 0.00 O ATOM 379 CG2 THR A 73 -3.892 -2.653 13.265 1.00 0.00 C ATOM 0 H THR A 73 -3.687 -0.716 11.452 1.00 0.00 H new ATOM 0 HA THR A 73 -4.804 -0.195 13.621 1.00 0.00 H new ATOM 0 HB THR A 73 -2.984 -1.564 14.878 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.321 -2.408 13.490 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.400 -3.594 13.509 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.879 -2.630 13.726 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.995 -2.567 12.183 1.00 0.00 H new ATOM 380 N GLU A 74 -2.209 1.676 14.091 1.00 0.00 N ATOM 381 CA GLU A 74 -1.634 2.741 14.934 1.00 0.00 C ATOM 382 C GLU A 74 -2.143 4.159 14.679 1.00 0.00 C ATOM 383 O GLU A 74 -2.213 4.982 15.589 1.00 0.00 O ATOM 384 CB GLU A 74 -0.108 2.729 14.821 1.00 0.00 C ATOM 385 CG GLU A 74 0.457 2.400 16.220 1.00 0.00 C ATOM 386 CD GLU A 74 1.985 2.408 16.340 1.00 0.00 C ATOM 387 OE1 GLU A 74 2.569 1.306 16.152 1.00 0.00 O ATOM 388 OE2 GLU A 74 2.516 3.411 16.852 1.00 0.00 O ATOM 0 H GLU A 74 -1.727 1.559 13.200 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.974 2.496 15.940 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.217 1.987 14.092 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.259 3.696 14.477 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.051 3.118 16.933 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.093 1.416 16.516 1.00 0.00 H new ATOM 389 N THR A 75 -2.495 4.416 13.422 1.00 0.00 N ATOM 390 CA THR A 75 -3.063 5.711 12.986 1.00 0.00 C ATOM 391 C THR A 75 -4.596 5.739 13.112 1.00 0.00 C ATOM 392 O THR A 75 -5.223 6.788 12.999 1.00 0.00 O ATOM 393 CB THR A 75 -2.700 6.045 11.535 1.00 0.00 C ATOM 394 OG1 THR A 75 -3.139 4.983 10.673 1.00 0.00 O ATOM 395 CG2 THR A 75 -1.212 6.357 11.356 1.00 0.00 C ATOM 0 H THR A 75 -2.398 3.737 12.667 1.00 0.00 H new ATOM 0 HA THR A 75 -2.625 6.456 13.651 1.00 0.00 H new ATOM 0 HB THR A 75 -3.222 6.960 11.256 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.422 4.322 10.578 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.012 6.586 10.309 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.943 7.214 11.973 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.620 5.493 11.658 1.00 0.00 H new ATOM 396 N GLY A 76 -5.156 4.526 13.173 1.00 0.00 N ATOM 397 CA GLY A 76 -6.590 4.231 13.256 1.00 0.00 C ATOM 398 C GLY A 76 -7.319 4.434 11.909 1.00 0.00 C ATOM 399 O GLY A 76 -8.544 4.434 11.849 1.00 0.00 O ATOM 0 H GLY A 76 -4.590 3.678 13.165 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.726 3.201 13.587 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.046 4.872 14.011 1.00 0.00 H new ATOM 400 N GLN A 77 -6.519 4.322 10.847 1.00 0.00 N ATOM 401 CA GLN A 77 -6.908 4.701 9.478 1.00 0.00 C ATOM 402 C GLN A 77 -6.752 3.603 8.426 1.00 0.00 C ATOM 403 O GLN A 77 -5.728 2.942 8.309 1.00 0.00 O ATOM 404 CB GLN A 77 -6.103 5.931 9.055 1.00 0.00 C ATOM 405 CG GLN A 77 -6.775 7.179 9.635 1.00 0.00 C ATOM 406 CD GLN A 77 -5.849 8.396 9.645 1.00 0.00 C ATOM 407 OE1 GLN A 77 -5.557 9.032 8.649 1.00 0.00 O ATOM 408 NE2 GLN A 77 -5.384 8.725 10.833 1.00 0.00 N ATOM 0 H GLN A 77 -5.567 3.960 10.910 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.978 4.907 9.520 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -5.077 5.853 9.414 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -6.057 5.997 7.968 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -7.667 7.411 9.052 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -7.105 6.970 10.653 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -5.644 8.176 11.652 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.764 9.529 10.933 1.00 0.00 H new ATOM 409 N TYR A 78 -7.750 3.574 7.562 1.00 0.00 N ATOM 410 CA TYR A 78 -7.875 2.657 6.413 1.00 0.00 C ATOM 411 C TYR A 78 -7.092 3.163 5.199 1.00 0.00 C ATOM 412 O TYR A 78 -7.402 4.212 4.626 1.00 0.00 O ATOM 413 CB TYR A 78 -9.353 2.483 6.059 1.00 0.00 C ATOM 414 CG TYR A 78 -10.084 1.624 7.091 1.00 0.00 C ATOM 415 CD1 TYR A 78 -10.637 2.228 8.237 1.00 0.00 C ATOM 416 CD2 TYR A 78 -10.120 0.229 6.886 1.00 0.00 C ATOM 417 CE1 TYR A 78 -11.218 1.419 9.225 1.00 0.00 C ATOM 418 CE2 TYR A 78 -10.710 -0.585 7.875 1.00 0.00 C ATOM 419 CZ TYR A 78 -11.249 0.017 9.024 1.00 0.00 C ATOM 420 OH TYR A 78 -11.869 -0.772 9.937 1.00 0.00 O ATOM 0 H TYR A 78 -8.540 4.215 7.634 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.450 1.694 6.695 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -9.830 3.461 5.996 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.440 2.022 5.075 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.614 3.301 8.354 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -9.704 -0.207 5.990 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -11.633 1.856 10.121 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -10.747 -1.657 7.751 1.00 0.00 H new ATOM 0 HH TYR A 78 -11.805 -1.709 9.657 1.00 0.00 H new ATOM 421 N LEU A 79 -6.061 2.409 4.857 1.00 0.00 N ATOM 422 CA LEU A 79 -5.189 2.662 3.696 1.00 0.00 C ATOM 423 C LEU A 79 -5.968 2.504 2.390 1.00 0.00 C ATOM 424 O LEU A 79 -6.335 1.416 1.972 1.00 0.00 O ATOM 425 CB LEU A 79 -4.062 1.635 3.783 1.00 0.00 C ATOM 426 CG LEU A 79 -2.834 2.043 2.965 1.00 0.00 C ATOM 427 CD1 LEU A 79 -2.047 3.128 3.697 1.00 0.00 C ATOM 428 CD2 LEU A 79 -1.941 0.819 2.785 1.00 0.00 C ATOM 0 H LEU A 79 -5.791 1.580 5.386 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.799 3.680 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.773 1.505 4.826 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.426 0.670 3.430 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.156 2.430 1.998 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.176 3.409 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.682 4.001 3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.720 2.749 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.061 1.093 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.630 0.449 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.494 0.039 2.261 1.00 0.00 H new ATOM 429 N ALA A 80 -6.163 3.657 1.761 1.00 0.00 N ATOM 430 CA ALA A 80 -7.173 3.781 0.702 1.00 0.00 C ATOM 431 C ALA A 80 -6.755 4.666 -0.457 1.00 0.00 C ATOM 432 O ALA A 80 -6.369 5.820 -0.274 1.00 0.00 O ATOM 433 CB ALA A 80 -8.464 4.281 1.343 1.00 0.00 C ATOM 0 H ALA A 80 -5.645 4.513 1.958 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.312 2.797 0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -9.234 4.383 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.795 3.568 2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.287 5.249 1.811 1.00 0.00 H new ATOM 434 N MET A 81 -7.033 4.156 -1.654 1.00 0.00 N ATOM 435 CA MET A 81 -6.581 4.789 -2.907 1.00 0.00 C ATOM 436 C MET A 81 -7.624 5.682 -3.591 1.00 0.00 C ATOM 437 O MET A 81 -8.769 5.308 -3.808 1.00 0.00 O ATOM 438 CB MET A 81 -6.135 3.658 -3.842 1.00 0.00 C ATOM 439 CG MET A 81 -5.336 4.205 -5.032 1.00 0.00 C ATOM 440 SD MET A 81 -4.961 2.999 -6.353 1.00 0.00 S ATOM 441 CE MET A 81 -3.668 2.025 -5.599 1.00 0.00 C ATOM 0 H MET A 81 -7.572 3.301 -1.791 1.00 0.00 H new ATOM 0 HA MET A 81 -5.767 5.473 -2.666 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.525 2.944 -3.288 1.00 0.00 H new ATOM 0 HB3 MET A 81 -7.009 3.117 -4.205 1.00 0.00 H new ATOM 0 HG2 MET A 81 -5.892 5.035 -5.469 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.396 4.612 -4.659 1.00 0.00 H new ATOM 0 HE1 MET A 81 -3.381 1.218 -6.273 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.803 2.658 -5.402 1.00 0.00 H new ATOM 0 HE3 MET A 81 -4.030 1.603 -4.661 1.00 0.00 H new ATOM 442 N ASP A 82 -7.152 6.894 -3.850 1.00 0.00 N ATOM 443 CA ASP A 82 -7.821 7.925 -4.670 1.00 0.00 C ATOM 444 C ASP A 82 -7.597 7.615 -6.172 1.00 0.00 C ATOM 445 O ASP A 82 -6.643 6.944 -6.538 1.00 0.00 O ATOM 446 CB ASP A 82 -7.163 9.230 -4.223 1.00 0.00 C ATOM 447 CG ASP A 82 -7.888 10.501 -4.631 1.00 0.00 C ATOM 448 OD1 ASP A 82 -7.595 10.947 -5.761 1.00 0.00 O ATOM 449 OD2 ASP A 82 -8.727 10.967 -3.839 1.00 0.00 O ATOM 0 H ASP A 82 -6.254 7.211 -3.484 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.902 7.971 -4.542 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.072 9.217 -3.137 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.151 9.264 -4.627 1.00 0.00 H new ATOM 450 N THR A 83 -8.331 8.328 -7.014 1.00 0.00 N ATOM 451 CA THR A 83 -8.293 8.221 -8.496 1.00 0.00 C ATOM 452 C THR A 83 -7.164 8.957 -9.204 1.00 0.00 C ATOM 453 O THR A 83 -7.135 9.120 -10.425 1.00 0.00 O ATOM 454 CB THR A 83 -9.636 8.637 -9.083 1.00 0.00 C ATOM 455 OG1 THR A 83 -10.083 9.831 -8.429 1.00 0.00 O ATOM 456 CG2 THR A 83 -10.642 7.490 -8.946 1.00 0.00 C ATOM 0 H THR A 83 -8.999 9.027 -6.689 1.00 0.00 H new ATOM 0 HA THR A 83 -8.083 7.168 -8.683 1.00 0.00 H new ATOM 0 HB THR A 83 -9.536 8.852 -10.147 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.946 10.105 -8.803 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.600 7.794 -9.368 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.272 6.615 -9.481 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.771 7.243 -7.892 1.00 0.00 H new ATOM 457 N ASP A 84 -6.150 9.238 -8.403 1.00 0.00 N ATOM 458 CA ASP A 84 -4.803 9.612 -8.859 1.00 0.00 C ATOM 459 C ASP A 84 -3.725 8.649 -8.315 1.00 0.00 C ATOM 460 O ASP A 84 -2.531 8.947 -8.304 1.00 0.00 O ATOM 461 CB ASP A 84 -4.481 11.039 -8.436 1.00 0.00 C ATOM 462 CG ASP A 84 -5.492 12.046 -8.985 1.00 0.00 C ATOM 463 OD1 ASP A 84 -5.448 12.301 -10.212 1.00 0.00 O ATOM 464 OD2 ASP A 84 -6.310 12.506 -8.163 1.00 0.00 O ATOM 0 H ASP A 84 -6.234 9.214 -7.387 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.795 9.543 -9.947 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -4.465 11.099 -7.348 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -3.482 11.303 -8.784 1.00 0.00 H new ATOM 465 N GLY A 85 -4.192 7.478 -7.917 1.00 0.00 N ATOM 466 CA GLY A 85 -3.417 6.448 -7.211 1.00 0.00 C ATOM 467 C GLY A 85 -2.755 6.921 -5.918 1.00 0.00 C ATOM 468 O GLY A 85 -1.734 6.386 -5.515 1.00 0.00 O ATOM 0 H GLY A 85 -5.160 7.199 -8.079 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -4.076 5.611 -6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -2.645 6.070 -7.881 1.00 0.00 H new ATOM 469 N LEU A 86 -3.430 7.820 -5.205 1.00 0.00 N ATOM 470 CA LEU A 86 -2.837 8.368 -3.976 1.00 0.00 C ATOM 471 C LEU A 86 -3.570 7.794 -2.772 1.00 0.00 C ATOM 472 O LEU A 86 -4.781 7.916 -2.646 1.00 0.00 O ATOM 473 CB LEU A 86 -2.868 9.902 -3.930 1.00 0.00 C ATOM 474 CG LEU A 86 -1.891 10.370 -2.836 1.00 0.00 C ATOM 475 CD1 LEU A 86 -0.801 11.250 -3.435 1.00 0.00 C ATOM 476 CD2 LEU A 86 -2.644 11.104 -1.722 1.00 0.00 C ATOM 0 H LEU A 86 -4.356 8.178 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.786 8.078 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.583 10.317 -4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.877 10.256 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.413 9.494 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.119 11.572 -2.648 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.248 10.684 -4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.255 12.124 -3.902 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.938 11.428 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -3.152 11.974 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.379 10.433 -1.277 1.00 0.00 H new ATOM 477 N LEU A 87 -2.796 7.026 -2.010 1.00 0.00 N ATOM 478 CA LEU A 87 -3.345 6.448 -0.780 1.00 0.00 C ATOM 479 C LEU A 87 -3.372 7.506 0.324 1.00 0.00 C ATOM 480 O LEU A 87 -2.452 8.297 0.523 1.00 0.00 O ATOM 481 CB LEU A 87 -2.637 5.224 -0.204 1.00 0.00 C ATOM 482 CG LEU A 87 -1.699 4.445 -1.126 1.00 0.00 C ATOM 483 CD1 LEU A 87 -0.912 3.479 -0.235 1.00 0.00 C ATOM 484 CD2 LEU A 87 -2.421 3.695 -2.243 1.00 0.00 C ATOM 0 H LEU A 87 -1.823 6.794 -2.208 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.332 6.106 -1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.062 5.547 0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.400 4.535 0.158 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.044 5.145 -1.644 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.225 2.896 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.347 4.045 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.604 2.807 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.692 3.166 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.118 2.978 -1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.969 4.405 -2.862 1.00 0.00 H new ATOM 485 N TYR A 88 -4.592 7.606 0.801 1.00 0.00 N ATOM 486 CA TYR A 88 -4.939 8.414 1.984 1.00 0.00 C ATOM 487 C TYR A 88 -5.423 7.494 3.120 1.00 0.00 C ATOM 488 O TYR A 88 -5.746 6.323 2.908 1.00 0.00 O ATOM 489 CB TYR A 88 -6.000 9.476 1.629 1.00 0.00 C ATOM 490 CG TYR A 88 -7.298 8.912 1.049 1.00 0.00 C ATOM 491 CD1 TYR A 88 -8.315 8.488 1.928 1.00 0.00 C ATOM 492 CD2 TYR A 88 -7.383 8.705 -0.345 1.00 0.00 C ATOM 493 CE1 TYR A 88 -9.427 7.789 1.405 1.00 0.00 C ATOM 494 CE2 TYR A 88 -8.488 7.994 -0.872 1.00 0.00 C ATOM 495 CZ TYR A 88 -9.472 7.517 0.019 1.00 0.00 C ATOM 496 OH TYR A 88 -10.386 6.626 -0.436 1.00 0.00 O ATOM 0 H TYR A 88 -5.392 7.129 0.385 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.050 8.944 2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.237 10.048 2.526 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.570 10.174 0.911 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -8.246 8.694 2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.614 9.085 -1.002 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -10.229 7.468 2.054 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -8.576 7.820 -1.934 1.00 0.00 H new ATOM 0 HH TYR A 88 -10.534 6.769 -1.394 1.00 0.00 H new ATOM 497 N GLY A 89 -5.236 8.016 4.309 1.00 0.00 N ATOM 498 CA GLY A 89 -5.744 7.459 5.567 1.00 0.00 C ATOM 499 C GLY A 89 -7.234 7.766 5.723 1.00 0.00 C ATOM 500 O GLY A 89 -7.638 8.897 6.012 1.00 0.00 O ATOM 0 H GLY A 89 -4.705 8.876 4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.585 6.381 5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.190 7.878 6.407 1.00 0.00 H new ATOM 501 N SER A 90 -8.024 6.763 5.386 1.00 0.00 N ATOM 502 CA SER A 90 -9.496 6.831 5.462 1.00 0.00 C ATOM 503 C SER A 90 -10.039 6.431 6.823 1.00 0.00 C ATOM 504 O SER A 90 -9.567 5.564 7.555 1.00 0.00 O ATOM 505 CB SER A 90 -10.115 5.986 4.345 1.00 0.00 C ATOM 506 OG SER A 90 -11.549 5.967 4.419 1.00 0.00 O ATOM 0 H SER A 90 -7.673 5.867 5.048 1.00 0.00 H new ATOM 0 HA SER A 90 -9.782 7.874 5.323 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.807 6.382 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.735 4.966 4.408 1.00 0.00 H new ATOM 0 HG SER A 90 -11.863 5.039 4.442 1.00 0.00 H new ATOM 507 N GLN A 91 -11.118 7.122 7.043 1.00 0.00 N ATOM 508 CA GLN A 91 -12.016 7.036 8.207 1.00 0.00 C ATOM 509 C GLN A 91 -12.915 5.789 8.125 1.00 0.00 C ATOM 510 O GLN A 91 -13.484 5.342 9.114 1.00 0.00 O ATOM 511 CB GLN A 91 -12.861 8.290 8.131 1.00 0.00 C ATOM 512 CG GLN A 91 -12.019 9.555 8.218 1.00 0.00 C ATOM 513 CD GLN A 91 -11.166 9.673 9.488 1.00 0.00 C ATOM 514 OE1 GLN A 91 -11.662 9.751 10.611 1.00 0.00 O ATOM 515 NE2 GLN A 91 -9.857 9.681 9.346 1.00 0.00 N ATOM 0 H GLN A 91 -11.437 7.822 6.373 1.00 0.00 H new ATOM 0 HA GLN A 91 -11.460 6.956 9.141 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -13.422 8.292 7.196 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -13.591 8.284 8.941 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -11.361 9.597 7.350 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -12.680 10.420 8.159 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -9.445 9.616 8.415 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -9.255 9.752 10.167 1.00 0.00 H new ATOM 516 N THR A 92 -13.105 5.314 6.885 1.00 0.00 N ATOM 517 CA THR A 92 -14.176 4.376 6.507 1.00 0.00 C ATOM 518 C THR A 92 -13.669 3.274 5.551 1.00 0.00 C ATOM 519 O THR A 92 -12.889 3.570 4.633 1.00 0.00 O ATOM 520 CB THR A 92 -15.318 5.162 5.836 1.00 0.00 C ATOM 521 OG1 THR A 92 -14.824 5.789 4.651 1.00 0.00 O ATOM 522 CG2 THR A 92 -15.916 6.244 6.756 1.00 0.00 C ATOM 0 H THR A 92 -12.508 5.575 6.101 1.00 0.00 H new ATOM 0 HA THR A 92 -14.532 3.884 7.412 1.00 0.00 H new ATOM 0 HB THR A 92 -16.109 4.448 5.606 1.00 0.00 H new ATOM 0 HG1 THR A 92 -15.548 6.289 4.220 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.716 6.766 6.231 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.317 5.776 7.655 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.139 6.956 7.033 1.00 0.00 H new ATOM 523 N PRO A 93 -14.000 2.012 5.835 1.00 0.00 N ATOM 524 CA PRO A 93 -13.683 0.894 4.933 1.00 0.00 C ATOM 525 C PRO A 93 -14.570 0.878 3.680 1.00 0.00 C ATOM 526 O PRO A 93 -15.789 0.710 3.742 1.00 0.00 O ATOM 527 CB PRO A 93 -13.823 -0.368 5.801 1.00 0.00 C ATOM 528 CG PRO A 93 -14.733 0.024 6.954 1.00 0.00 C ATOM 529 CD PRO A 93 -14.466 1.525 7.151 1.00 0.00 C ATOM 0 HA PRO A 93 -12.677 0.975 4.522 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -14.249 -1.192 5.228 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.852 -0.702 6.165 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.780 -0.167 6.718 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.501 -0.544 7.855 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -15.369 2.047 7.467 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -13.714 1.693 7.922 1.00 0.00 H new ATOM 530 N ASN A 94 -13.908 1.032 2.537 1.00 0.00 N ATOM 531 CA ASN A 94 -14.588 1.189 1.235 1.00 0.00 C ATOM 532 C ASN A 94 -13.916 0.341 0.142 1.00 0.00 C ATOM 533 O ASN A 94 -12.781 -0.115 0.293 1.00 0.00 O ATOM 534 CB ASN A 94 -14.637 2.695 0.886 1.00 0.00 C ATOM 535 CG ASN A 94 -13.266 3.389 0.772 1.00 0.00 C ATOM 536 OD1 ASN A 94 -12.247 2.787 0.457 1.00 0.00 O ATOM 537 ND2 ASN A 94 -13.216 4.673 1.067 1.00 0.00 N ATOM 0 H ASN A 94 -12.890 1.053 2.476 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.610 0.816 1.300 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -15.166 2.815 -0.059 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -15.224 3.209 1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.326 5.170 1.033 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -14.068 5.170 1.329 1.00 0.00 H new ATOM 538 N GLU A 95 -14.516 0.421 -1.046 1.00 0.00 N ATOM 539 CA GLU A 95 -14.066 -0.245 -2.298 1.00 0.00 C ATOM 540 C GLU A 95 -12.641 0.145 -2.730 1.00 0.00 C ATOM 541 O GLU A 95 -11.948 -0.610 -3.396 1.00 0.00 O ATOM 542 CB GLU A 95 -15.060 0.089 -3.420 1.00 0.00 C ATOM 543 CG GLU A 95 -14.871 -0.842 -4.634 1.00 0.00 C ATOM 544 CD GLU A 95 -15.642 -0.365 -5.867 1.00 0.00 C ATOM 545 OE1 GLU A 95 -15.222 0.662 -6.445 1.00 0.00 O ATOM 546 OE2 GLU A 95 -16.620 -1.054 -6.227 1.00 0.00 O ATOM 0 H GLU A 95 -15.364 0.971 -1.182 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.038 -1.316 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.079 -0.003 -3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -14.926 1.125 -3.730 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.810 -0.907 -4.876 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -15.200 -1.847 -4.371 1.00 0.00 H new ATOM 547 N GLU A 96 -12.158 1.248 -2.166 1.00 0.00 N ATOM 548 CA GLU A 96 -10.837 1.818 -2.471 1.00 0.00 C ATOM 549 C GLU A 96 -9.738 1.290 -1.560 1.00 0.00 C ATOM 550 O GLU A 96 -8.580 1.247 -1.950 1.00 0.00 O ATOM 551 CB GLU A 96 -10.879 3.339 -2.350 1.00 0.00 C ATOM 552 CG GLU A 96 -11.686 3.945 -3.500 1.00 0.00 C ATOM 553 CD GLU A 96 -12.034 5.427 -3.316 1.00 0.00 C ATOM 554 OE1 GLU A 96 -11.128 6.228 -2.984 1.00 0.00 O ATOM 555 OE2 GLU A 96 -13.240 5.726 -3.454 1.00 0.00 O ATOM 0 H GLU A 96 -12.678 1.785 -1.471 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.602 1.516 -3.492 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -11.325 3.622 -1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -9.865 3.739 -2.359 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.121 3.829 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -12.610 3.379 -3.617 1.00 0.00 H new ATOM 556 N CYS A 97 -10.140 1.072 -0.311 1.00 0.00 N ATOM 557 CA CYS A 97 -9.309 0.464 0.727 1.00 0.00 C ATOM 558 C CYS A 97 -9.087 -1.047 0.532 1.00 0.00 C ATOM 559 O CYS A 97 -8.149 -1.629 1.079 1.00 0.00 O ATOM 560 CB CYS A 97 -9.900 0.699 2.119 1.00 0.00 C ATOM 561 SG CYS A 97 -8.883 0.124 3.524 1.00 0.00 S ATOM 0 H CYS A 97 -11.074 1.318 0.016 1.00 0.00 H new ATOM 0 HA CYS A 97 -8.340 0.956 0.640 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -10.082 1.767 2.240 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -10.869 0.203 2.170 1.00 0.00 H new ATOM 0 HG CYS A 97 -7.641 0.452 3.324 1.00 0.00 H new ATOM 562 N LEU A 98 -9.970 -1.645 -0.253 1.00 0.00 N ATOM 563 CA LEU A 98 -9.910 -3.058 -0.668 1.00 0.00 C ATOM 564 C LEU A 98 -8.767 -3.283 -1.641 1.00 0.00 C ATOM 565 O LEU A 98 -8.841 -3.062 -2.852 1.00 0.00 O ATOM 566 CB LEU A 98 -11.273 -3.431 -1.252 1.00 0.00 C ATOM 567 CG LEU A 98 -12.222 -3.737 -0.106 1.00 0.00 C ATOM 568 CD1 LEU A 98 -13.691 -3.665 -0.568 1.00 0.00 C ATOM 569 CD2 LEU A 98 -11.964 -5.071 0.602 1.00 0.00 C ATOM 0 H LEU A 98 -10.778 -1.154 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.705 -3.708 0.183 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.662 -2.613 -1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -11.180 -4.297 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.023 -2.960 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -14.348 -3.888 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -13.906 -2.664 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -13.859 -4.392 -1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -12.689 -5.203 1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.062 -5.888 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.957 -5.073 1.019 1.00 0.00 H new ATOM 570 N PHE A 99 -7.690 -3.742 -1.041 1.00 0.00 N ATOM 571 CA PHE A 99 -6.387 -3.866 -1.702 1.00 0.00 C ATOM 572 C PHE A 99 -6.042 -5.337 -1.929 1.00 0.00 C ATOM 573 O PHE A 99 -5.844 -6.132 -1.007 1.00 0.00 O ATOM 574 CB PHE A 99 -5.273 -3.212 -0.896 1.00 0.00 C ATOM 575 CG PHE A 99 -5.274 -1.676 -0.755 1.00 0.00 C ATOM 576 CD1 PHE A 99 -6.076 -0.866 -1.592 1.00 0.00 C ATOM 577 CD2 PHE A 99 -4.154 -1.104 -0.098 1.00 0.00 C ATOM 578 CE1 PHE A 99 -5.738 0.487 -1.811 1.00 0.00 C ATOM 579 CE2 PHE A 99 -3.811 0.242 -0.312 1.00 0.00 C ATOM 580 CZ PHE A 99 -4.609 1.036 -1.175 1.00 0.00 C ATOM 0 H PHE A 99 -7.683 -4.046 -0.068 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.466 -3.350 -2.659 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.295 -3.637 0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.323 -3.504 -1.345 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.951 -1.285 -2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.560 -1.708 0.572 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.343 1.098 -2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.947 0.668 0.176 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.348 2.070 -1.345 1.00 0.00 H new ATOM 581 N LEU A 100 -6.303 -5.692 -3.167 1.00 0.00 N ATOM 582 CA LEU A 100 -6.162 -7.047 -3.709 1.00 0.00 C ATOM 583 C LEU A 100 -4.729 -7.577 -3.697 1.00 0.00 C ATOM 584 O LEU A 100 -3.862 -7.077 -4.407 1.00 0.00 O ATOM 585 CB LEU A 100 -6.732 -7.097 -5.121 1.00 0.00 C ATOM 586 CG LEU A 100 -7.715 -8.240 -5.147 1.00 0.00 C ATOM 587 CD1 LEU A 100 -9.026 -7.852 -5.830 1.00 0.00 C ATOM 588 CD2 LEU A 100 -7.132 -9.503 -5.800 1.00 0.00 C ATOM 0 H LEU A 100 -6.634 -5.024 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.726 -7.704 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -7.223 -6.157 -5.374 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.940 -7.250 -5.854 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.927 -8.472 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.705 -8.705 -5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.484 -7.022 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.826 -7.552 -6.859 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -7.881 -10.295 -5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.847 -9.282 -6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.254 -9.829 -5.242 1.00 0.00 H new ATOM 589 N GLU A 101 -4.525 -8.498 -2.759 1.00 0.00 N ATOM 590 CA GLU A 101 -3.269 -9.247 -2.630 1.00 0.00 C ATOM 591 C GLU A 101 -2.941 -10.050 -3.889 1.00 0.00 C ATOM 592 O GLU A 101 -3.480 -11.134 -4.158 1.00 0.00 O ATOM 593 CB GLU A 101 -3.243 -10.193 -1.434 1.00 0.00 C ATOM 594 CG GLU A 101 -3.606 -9.542 -0.091 1.00 0.00 C ATOM 595 CD GLU A 101 -3.081 -10.362 1.087 1.00 0.00 C ATOM 596 OE1 GLU A 101 -1.865 -10.214 1.352 1.00 0.00 O ATOM 597 OE2 GLU A 101 -3.882 -11.083 1.714 1.00 0.00 O ATOM 0 H GLU A 101 -5.226 -8.750 -2.062 1.00 0.00 H new ATOM 0 HA GLU A 101 -2.513 -8.477 -2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -3.935 -11.014 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.247 -10.628 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.191 -8.535 -0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.689 -9.444 -0.014 1.00 0.00 H new ATOM 598 N ARG A 102 -2.041 -9.466 -4.656 1.00 0.00 N ATOM 599 CA ARG A 102 -1.495 -10.048 -5.887 1.00 0.00 C ATOM 600 C ARG A 102 -0.019 -10.366 -5.630 1.00 0.00 C ATOM 601 O ARG A 102 0.900 -9.614 -5.944 1.00 0.00 O ATOM 602 CB ARG A 102 -1.687 -9.063 -7.034 1.00 0.00 C ATOM 603 CG ARG A 102 -1.209 -9.629 -8.376 1.00 0.00 C ATOM 604 CD ARG A 102 -2.010 -10.846 -8.870 1.00 0.00 C ATOM 605 NE ARG A 102 -3.361 -10.415 -9.281 1.00 0.00 N ATOM 606 CZ ARG A 102 -4.516 -10.756 -8.713 1.00 0.00 C ATOM 607 NH1 ARG A 102 -4.577 -11.536 -7.637 1.00 0.00 N ATOM 608 NH2 ARG A 102 -5.661 -10.305 -9.212 1.00 0.00 N ATOM 0 H ARG A 102 -1.652 -8.547 -4.442 1.00 0.00 H new ATOM 0 HA ARG A 102 -2.008 -10.968 -6.167 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.742 -8.798 -7.109 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -1.143 -8.144 -6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.263 -8.843 -9.129 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.160 -9.911 -8.285 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -1.496 -11.316 -9.709 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.080 -11.593 -8.080 1.00 0.00 H new ATOM 0 HE ARG A 102 -3.415 -9.790 -10.085 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -3.719 -11.895 -7.218 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.482 -11.775 -7.231 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.656 -9.697 -10.031 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.545 -10.567 -8.776 1.00 0.00 H new ATOM 609 N LEU A 103 0.118 -11.384 -4.784 1.00 0.00 N ATOM 610 CA LEU A 103 1.420 -12.026 -4.526 1.00 0.00 C ATOM 611 C LEU A 103 1.817 -12.758 -5.817 1.00 0.00 C ATOM 612 O LEU A 103 1.111 -13.621 -6.329 1.00 0.00 O ATOM 613 CB LEU A 103 1.334 -12.905 -3.279 1.00 0.00 C ATOM 614 CG LEU A 103 2.693 -13.521 -2.899 1.00 0.00 C ATOM 615 CD1 LEU A 103 2.814 -13.650 -1.374 1.00 0.00 C ATOM 616 CD2 LEU A 103 2.919 -14.884 -3.566 1.00 0.00 C ATOM 0 H LEU A 103 -0.657 -11.789 -4.259 1.00 0.00 H new ATOM 0 HA LEU A 103 2.210 -11.311 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.961 -12.311 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.612 -13.703 -3.450 1.00 0.00 H new ATOM 0 HG LEU A 103 3.467 -12.847 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.780 -14.087 -1.121 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.732 -12.664 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.016 -14.291 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.890 -15.278 -3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.136 -15.575 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.892 -14.768 -4.649 1.00 0.00 H new ATOM 617 N GLU A 104 2.687 -11.997 -6.458 1.00 0.00 N ATOM 618 CA GLU A 104 3.200 -12.230 -7.826 1.00 0.00 C ATOM 619 C GLU A 104 4.081 -13.494 -7.949 1.00 0.00 C ATOM 620 O GLU A 104 4.303 -14.215 -6.986 1.00 0.00 O ATOM 621 CB GLU A 104 3.871 -10.944 -8.334 1.00 0.00 C ATOM 622 CG GLU A 104 4.860 -10.313 -7.345 1.00 0.00 C ATOM 623 CD GLU A 104 5.551 -9.041 -7.854 1.00 0.00 C ATOM 624 OE1 GLU A 104 6.114 -9.110 -8.972 1.00 0.00 O ATOM 625 OE2 GLU A 104 5.534 -8.029 -7.117 1.00 0.00 O ATOM 0 H GLU A 104 3.082 -11.158 -6.033 1.00 0.00 H new ATOM 0 HA GLU A 104 2.359 -12.455 -8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 104 4.396 -11.165 -9.263 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.097 -10.214 -8.571 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.330 -10.078 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 104 5.623 -11.050 -7.095 1.00 0.00 H new ATOM 626 N GLU A 105 4.584 -13.757 -9.162 1.00 0.00 N ATOM 627 CA GLU A 105 5.407 -14.954 -9.436 1.00 0.00 C ATOM 628 C GLU A 105 6.887 -14.767 -9.042 1.00 0.00 C ATOM 629 O GLU A 105 7.803 -14.734 -9.870 1.00 0.00 O ATOM 630 CB GLU A 105 5.252 -15.426 -10.895 1.00 0.00 C ATOM 631 CG GLU A 105 3.960 -16.218 -11.132 1.00 0.00 C ATOM 632 CD GLU A 105 2.688 -15.358 -11.082 1.00 0.00 C ATOM 633 OE1 GLU A 105 2.635 -14.408 -11.889 1.00 0.00 O ATOM 634 OE2 GLU A 105 1.821 -15.669 -10.238 1.00 0.00 O ATOM 0 H GLU A 105 4.438 -13.158 -9.975 1.00 0.00 H new ATOM 0 HA GLU A 105 5.024 -15.747 -8.794 1.00 0.00 H new ATOM 0 HB2 GLU A 105 5.267 -14.559 -11.556 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.107 -16.046 -11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.018 -16.708 -12.104 1.00 0.00 H new ATOM 0 HG3 GLU A 105 3.885 -17.005 -10.382 1.00 0.00 H new ATOM 635 N ASN A 106 7.014 -14.452 -7.763 1.00 0.00 N ATOM 636 CA ASN A 106 8.253 -14.148 -7.004 1.00 0.00 C ATOM 637 C ASN A 106 7.841 -13.819 -5.562 1.00 0.00 C ATOM 638 O ASN A 106 6.660 -13.705 -5.252 1.00 0.00 O ATOM 639 CB ASN A 106 9.056 -12.988 -7.631 1.00 0.00 C ATOM 640 CG ASN A 106 8.223 -11.747 -7.966 1.00 0.00 C ATOM 641 OD1 ASN A 106 7.977 -10.893 -7.133 1.00 0.00 O ATOM 642 ND2 ASN A 106 7.714 -11.692 -9.186 1.00 0.00 N ATOM 0 H ASN A 106 6.192 -14.393 -7.162 1.00 0.00 H new ATOM 0 HA ASN A 106 8.916 -15.013 -7.029 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.852 -12.701 -6.944 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.535 -13.345 -8.543 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.099 -10.921 -9.448 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.936 -12.420 -9.865 1.00 0.00 H new ATOM 643 N HIS A 107 8.841 -13.673 -4.696 1.00 0.00 N ATOM 644 CA HIS A 107 8.698 -13.365 -3.263 1.00 0.00 C ATOM 645 C HIS A 107 7.717 -12.255 -2.866 1.00 0.00 C ATOM 646 O HIS A 107 7.148 -12.264 -1.772 1.00 0.00 O ATOM 647 CB HIS A 107 10.089 -12.991 -2.770 1.00 0.00 C ATOM 648 CG HIS A 107 10.827 -14.233 -2.272 1.00 0.00 C ATOM 649 ND1 HIS A 107 10.348 -15.063 -1.363 1.00 0.00 N ATOM 650 CD2 HIS A 107 12.081 -14.583 -2.551 1.00 0.00 C ATOM 651 CE1 HIS A 107 11.299 -15.926 -1.034 1.00 0.00 C ATOM 652 NE2 HIS A 107 12.370 -15.624 -1.777 1.00 0.00 N ATOM 0 H HIS A 107 9.816 -13.769 -4.979 1.00 0.00 H new ATOM 0 HA HIS A 107 8.264 -14.254 -2.806 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.654 -12.523 -3.576 1.00 0.00 H new ATOM 0 HB3 HIS A 107 10.013 -12.258 -1.967 1.00 0.00 H new ATOM 0 HD2 HIS A 107 12.737 -14.112 -3.268 1.00 0.00 H new ATOM 0 HE1 HIS A 107 11.224 -16.720 -0.306 1.00 0.00 H new ATOM 0 HE2 HIS A 107 13.264 -16.114 -1.753 1.00 0.00 H new ATOM 653 N TYR A 108 7.634 -11.258 -3.739 1.00 0.00 N ATOM 654 CA TYR A 108 6.887 -10.014 -3.539 1.00 0.00 C ATOM 655 C TYR A 108 5.363 -10.197 -3.568 1.00 0.00 C ATOM 656 O TYR A 108 4.775 -10.952 -4.338 1.00 0.00 O ATOM 657 CB TYR A 108 7.345 -9.000 -4.593 1.00 0.00 C ATOM 658 CG TYR A 108 8.813 -8.637 -4.385 1.00 0.00 C ATOM 659 CD1 TYR A 108 9.123 -7.751 -3.333 1.00 0.00 C ATOM 660 CD2 TYR A 108 9.813 -9.405 -5.026 1.00 0.00 C ATOM 661 CE1 TYR A 108 10.447 -7.644 -2.891 1.00 0.00 C ATOM 662 CE2 TYR A 108 11.147 -9.297 -4.594 1.00 0.00 C ATOM 663 CZ TYR A 108 11.438 -8.397 -3.542 1.00 0.00 C ATOM 664 OH TYR A 108 12.736 -8.038 -3.366 1.00 0.00 O ATOM 0 H TYR A 108 8.103 -11.292 -4.644 1.00 0.00 H new ATOM 0 HA TYR A 108 7.106 -9.649 -2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 108 7.205 -9.416 -5.591 1.00 0.00 H new ATOM 0 HB3 TYR A 108 6.730 -8.102 -4.533 1.00 0.00 H new ATOM 0 HD1 TYR A 108 8.346 -7.160 -2.872 1.00 0.00 H new ATOM 0 HD2 TYR A 108 9.555 -10.068 -5.839 1.00 0.00 H new ATOM 0 HE1 TYR A 108 10.701 -6.995 -2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 108 11.928 -9.885 -5.053 1.00 0.00 H new ATOM 0 HH TYR A 108 12.855 -7.101 -3.628 1.00 0.00 H new ATOM 665 N ASN A 109 4.789 -9.302 -2.781 1.00 0.00 N ATOM 666 CA ASN A 109 3.336 -9.205 -2.579 1.00 0.00 C ATOM 667 C ASN A 109 2.874 -7.776 -2.869 1.00 0.00 C ATOM 668 O ASN A 109 3.377 -6.806 -2.294 1.00 0.00 O ATOM 669 CB ASN A 109 2.957 -9.576 -1.143 1.00 0.00 C ATOM 670 CG ASN A 109 1.500 -9.994 -0.945 1.00 0.00 C ATOM 671 OD1 ASN A 109 0.558 -9.451 -1.505 1.00 0.00 O ATOM 672 ND2 ASN A 109 1.300 -10.918 -0.037 1.00 0.00 N ATOM 0 H ASN A 109 5.319 -8.608 -2.253 1.00 0.00 H new ATOM 0 HA ASN A 109 2.847 -9.902 -3.260 1.00 0.00 H new ATOM 0 HB2 ASN A 109 3.601 -10.391 -0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 109 3.165 -8.723 -0.497 1.00 0.00 H new ATOM 0 HD21 ASN A 109 0.349 -11.192 0.211 1.00 0.00 H new ATOM 0 HD22 ASN A 109 2.095 -11.363 0.422 1.00 0.00 H new ATOM 673 N THR A 110 1.866 -7.701 -3.713 1.00 0.00 N ATOM 674 CA THR A 110 1.345 -6.410 -4.163 1.00 0.00 C ATOM 675 C THR A 110 -0.169 -6.275 -3.922 1.00 0.00 C ATOM 676 O THR A 110 -0.866 -7.247 -3.671 1.00 0.00 O ATOM 677 CB THR A 110 1.705 -6.120 -5.636 1.00 0.00 C ATOM 678 OG1 THR A 110 3.023 -6.600 -5.924 1.00 0.00 O ATOM 679 CG2 THR A 110 1.744 -4.608 -5.883 1.00 0.00 C ATOM 0 H THR A 110 1.387 -8.512 -4.105 1.00 0.00 H new ATOM 0 HA THR A 110 1.837 -5.653 -3.552 1.00 0.00 H new ATOM 0 HB THR A 110 0.955 -6.608 -6.259 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.665 -5.864 -5.839 1.00 0.00 H new ATOM 0 HG21 THR A 110 1.999 -4.416 -6.925 1.00 0.00 H new ATOM 0 HG22 THR A 110 0.767 -4.178 -5.663 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.494 -4.153 -5.236 1.00 0.00 H new ATOM 680 N TYR A 111 -0.647 -5.044 -4.051 1.00 0.00 N ATOM 681 CA TYR A 111 -2.033 -4.677 -3.730 1.00 0.00 C ATOM 682 C TYR A 111 -2.641 -3.835 -4.851 1.00 0.00 C ATOM 683 O TYR A 111 -2.076 -2.803 -5.225 1.00 0.00 O ATOM 684 CB TYR A 111 -2.110 -3.933 -2.391 1.00 0.00 C ATOM 685 CG TYR A 111 -1.536 -4.767 -1.245 1.00 0.00 C ATOM 686 CD1 TYR A 111 -2.275 -5.848 -0.714 1.00 0.00 C ATOM 687 CD2 TYR A 111 -0.192 -4.537 -0.871 1.00 0.00 C ATOM 688 CE1 TYR A 111 -1.636 -6.747 0.165 1.00 0.00 C ATOM 689 CE2 TYR A 111 0.447 -5.436 0.008 1.00 0.00 C ATOM 690 CZ TYR A 111 -0.279 -6.532 0.502 1.00 0.00 C ATOM 691 OH TYR A 111 0.374 -7.455 1.268 1.00 0.00 O ATOM 0 H TYR A 111 -0.084 -4.261 -4.384 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.612 -5.596 -3.638 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.564 -2.993 -2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -3.148 -3.682 -2.174 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -3.314 -5.984 -0.977 1.00 0.00 H new ATOM 0 HD2 TYR A 111 0.341 -3.680 -1.255 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.175 -7.588 0.575 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.477 -5.284 0.296 1.00 0.00 H new ATOM 0 HH TYR A 111 -0.005 -8.344 1.104 1.00 0.00 H new ATOM 692 N ILE A 112 -3.580 -4.467 -5.542 1.00 0.00 N ATOM 693 CA ILE A 112 -4.385 -3.808 -6.594 1.00 0.00 C ATOM 694 C ILE A 112 -5.636 -3.260 -5.905 1.00 0.00 C ATOM 695 O ILE A 112 -6.416 -4.013 -5.327 1.00 0.00 O ATOM 696 CB ILE A 112 -4.878 -4.764 -7.700 1.00 0.00 C ATOM 697 CG1 ILE A 112 -3.836 -5.803 -8.119 1.00 0.00 C ATOM 698 CG2 ILE A 112 -5.292 -3.906 -8.920 1.00 0.00 C ATOM 699 CD1 ILE A 112 -4.440 -6.995 -8.892 1.00 0.00 C ATOM 0 H ILE A 112 -3.815 -5.449 -5.399 1.00 0.00 H new ATOM 0 HA ILE A 112 -3.754 -3.056 -7.067 1.00 0.00 H new ATOM 0 HB ILE A 112 -5.720 -5.332 -7.304 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.081 -5.321 -8.740 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -3.327 -6.176 -7.230 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.646 -4.557 -9.719 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.089 -3.222 -8.630 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -4.433 -3.334 -9.271 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -3.648 -7.694 -9.159 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.174 -7.501 -8.265 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.925 -6.633 -9.798 1.00 0.00 H new ATOM 700 N SER A 113 -5.788 -1.943 -5.925 1.00 0.00 N ATOM 701 CA SER A 113 -7.020 -1.335 -5.373 1.00 0.00 C ATOM 702 C SER A 113 -8.232 -1.788 -6.194 1.00 0.00 C ATOM 703 O SER A 113 -8.348 -1.533 -7.395 1.00 0.00 O ATOM 704 CB SER A 113 -6.990 0.187 -5.348 1.00 0.00 C ATOM 705 OG SER A 113 -8.174 0.667 -4.704 1.00 0.00 O ATOM 0 H SER A 113 -5.107 -1.283 -6.301 1.00 0.00 H new ATOM 0 HA SER A 113 -7.090 -1.675 -4.340 1.00 0.00 H new ATOM 0 HB2 SER A 113 -6.105 0.537 -4.817 1.00 0.00 H new ATOM 0 HB3 SER A 113 -6.929 0.579 -6.363 1.00 0.00 H new ATOM 0 HG SER A 113 -8.006 0.769 -3.744 1.00 0.00 H new ATOM 706 N LYS A 114 -9.056 -2.571 -5.510 1.00 0.00 N ATOM 707 CA LYS A 114 -10.261 -3.234 -6.044 1.00 0.00 C ATOM 708 C LYS A 114 -11.062 -2.360 -7.035 1.00 0.00 C ATOM 709 O LYS A 114 -11.382 -2.806 -8.135 1.00 0.00 O ATOM 710 CB LYS A 114 -11.185 -3.638 -4.884 1.00 0.00 C ATOM 711 CG LYS A 114 -12.428 -4.407 -5.326 1.00 0.00 C ATOM 712 CD LYS A 114 -13.334 -4.648 -4.131 1.00 0.00 C ATOM 713 CE LYS A 114 -14.571 -5.461 -4.500 1.00 0.00 C ATOM 714 NZ LYS A 114 -15.478 -4.673 -5.338 1.00 0.00 N ATOM 0 H LYS A 114 -8.905 -2.777 -4.523 1.00 0.00 H new ATOM 0 HA LYS A 114 -9.910 -4.106 -6.595 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -10.622 -4.250 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -11.495 -2.740 -4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -12.962 -3.844 -6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -12.139 -5.358 -5.773 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -12.776 -5.171 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -13.643 -3.690 -3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -14.273 -6.366 -5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -15.088 -5.777 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -16.413 -4.623 -4.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -15.097 -3.712 -5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -15.568 -5.124 -6.271 1.00 0.00 H new ATOM 715 N LYS A 115 -11.258 -1.104 -6.640 1.00 0.00 N ATOM 716 CA LYS A 115 -11.960 -0.071 -7.442 1.00 0.00 C ATOM 717 C LYS A 115 -11.508 0.003 -8.916 1.00 0.00 C ATOM 718 O LYS A 115 -12.336 0.177 -9.805 1.00 0.00 O ATOM 719 CB LYS A 115 -11.854 1.308 -6.775 1.00 0.00 C ATOM 720 CG LYS A 115 -10.414 1.780 -6.564 1.00 0.00 C ATOM 721 CD LYS A 115 -10.200 3.193 -7.103 1.00 0.00 C ATOM 722 CE LYS A 115 -8.799 3.704 -6.792 1.00 0.00 C ATOM 723 NZ LYS A 115 -8.353 4.507 -7.935 1.00 0.00 N ATOM 0 H LYS A 115 -10.932 -0.756 -5.738 1.00 0.00 H new ATOM 0 HA LYS A 115 -13.004 -0.384 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.381 2.040 -7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.361 1.275 -5.811 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -10.175 1.756 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -9.729 1.093 -7.061 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -10.360 3.200 -8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -10.939 3.865 -6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -8.804 4.304 -5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -8.117 2.871 -6.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -7.695 3.949 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -9.176 4.780 -8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.872 5.363 -7.592 1.00 0.00 H new ATOM 724 N HIS A 116 -10.215 -0.212 -9.140 1.00 0.00 N ATOM 725 CA HIS A 116 -9.616 -0.242 -10.487 1.00 0.00 C ATOM 726 C HIS A 116 -8.766 -1.494 -10.726 1.00 0.00 C ATOM 727 O HIS A 116 -7.732 -1.466 -11.395 1.00 0.00 O ATOM 728 CB HIS A 116 -8.843 1.051 -10.764 1.00 0.00 C ATOM 729 CG HIS A 116 -9.729 2.272 -11.071 1.00 0.00 C ATOM 730 ND1 HIS A 116 -11.045 2.289 -11.235 1.00 0.00 N ATOM 731 CD2 HIS A 116 -9.273 3.496 -11.316 1.00 0.00 C ATOM 732 CE1 HIS A 116 -11.413 3.510 -11.601 1.00 0.00 C ATOM 733 NE2 HIS A 116 -10.315 4.253 -11.641 1.00 0.00 N ATOM 0 H HIS A 116 -9.541 -0.373 -8.391 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.432 -0.301 -11.207 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -8.220 1.279 -9.899 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -8.171 0.884 -11.606 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -11.671 1.495 -11.102 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -8.243 3.817 -11.261 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -12.418 3.837 -11.824 1.00 0.00 H new ATOM 734 N ALA A 117 -9.352 -2.639 -10.370 1.00 0.00 N ATOM 735 CA ALA A 117 -8.774 -3.986 -10.602 1.00 0.00 C ATOM 736 C ALA A 117 -9.044 -4.530 -12.023 1.00 0.00 C ATOM 737 O ALA A 117 -9.316 -5.697 -12.265 1.00 0.00 O ATOM 738 CB ALA A 117 -9.295 -4.921 -9.510 1.00 0.00 C ATOM 0 H ALA A 117 -10.258 -2.668 -9.903 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.688 -3.919 -10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -8.884 -5.919 -9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -8.990 -4.545 -8.533 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -10.383 -4.966 -9.558 1.00 0.00 H new ATOM 739 N GLU A 118 -8.989 -3.589 -12.961 1.00 0.00 N ATOM 740 CA GLU A 118 -9.187 -3.768 -14.421 1.00 0.00 C ATOM 741 C GLU A 118 -8.259 -2.862 -15.221 1.00 0.00 C ATOM 742 O GLU A 118 -7.555 -3.279 -16.130 1.00 0.00 O ATOM 743 CB GLU A 118 -10.640 -3.497 -14.811 1.00 0.00 C ATOM 744 CG GLU A 118 -11.584 -4.614 -14.345 1.00 0.00 C ATOM 745 CD GLU A 118 -13.039 -4.292 -14.659 1.00 0.00 C ATOM 746 OE1 GLU A 118 -13.680 -3.656 -13.788 1.00 0.00 O ATOM 747 OE2 GLU A 118 -13.493 -4.687 -15.749 1.00 0.00 O ATOM 0 H GLU A 118 -8.794 -2.617 -12.722 1.00 0.00 H new ATOM 0 HA GLU A 118 -8.945 -4.804 -14.657 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -10.960 -2.549 -14.378 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.710 -3.393 -15.894 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -11.306 -5.550 -14.829 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -11.468 -4.764 -13.272 1.00 0.00 H new ATOM 748 N LYS A 119 -8.236 -1.617 -14.767 1.00 0.00 N ATOM 749 CA LYS A 119 -7.227 -0.595 -15.133 1.00 0.00 C ATOM 750 C LYS A 119 -5.909 -0.838 -14.348 1.00 0.00 C ATOM 751 O LYS A 119 -4.948 -0.090 -14.526 1.00 0.00 O ATOM 752 CB LYS A 119 -7.917 0.723 -14.783 1.00 0.00 C ATOM 753 CG LYS A 119 -7.480 1.895 -15.664 1.00 0.00 C ATOM 754 CD LYS A 119 -8.205 3.181 -15.241 1.00 0.00 C ATOM 755 CE LYS A 119 -9.626 3.302 -15.784 1.00 0.00 C ATOM 756 NZ LYS A 119 -9.573 3.741 -17.186 1.00 0.00 N ATOM 0 H LYS A 119 -8.935 -1.265 -14.113 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.924 -0.612 -16.180 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -8.996 0.594 -14.873 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -7.711 0.966 -13.741 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.402 2.035 -15.586 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.698 1.674 -16.709 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -8.238 3.225 -14.152 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.625 4.040 -15.577 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -10.139 2.343 -15.710 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -10.196 4.015 -15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -10.540 3.825 -17.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.098 4.665 -17.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.043 3.044 -17.748 1.00 0.00 H new ATOM 757 N ASN A 120 -5.791 -2.057 -13.819 1.00 0.00 N ATOM 758 CA ASN A 120 -4.772 -2.538 -12.877 1.00 0.00 C ATOM 759 C ASN A 120 -4.067 -1.459 -12.047 1.00 0.00 C ATOM 760 O ASN A 120 -2.866 -1.222 -12.174 1.00 0.00 O ATOM 761 CB ASN A 120 -3.795 -3.446 -13.637 1.00 0.00 C ATOM 762 CG ASN A 120 -4.511 -4.705 -14.118 1.00 0.00 C ATOM 763 OD1 ASN A 120 -5.020 -5.515 -13.353 1.00 0.00 O ATOM 764 ND2 ASN A 120 -4.642 -4.841 -15.420 1.00 0.00 N ATOM 0 H ASN A 120 -6.456 -2.793 -14.055 1.00 0.00 H new ATOM 0 HA ASN A 120 -5.293 -3.107 -12.107 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -3.376 -2.910 -14.488 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -2.961 -3.718 -12.990 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -5.171 -5.626 -15.800 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -4.215 -4.161 -16.049 1.00 0.00 H new ATOM 765 N TRP A 121 -4.826 -0.916 -11.102 1.00 0.00 N ATOM 766 CA TRP A 121 -4.310 0.127 -10.207 1.00 0.00 C ATOM 767 C TRP A 121 -3.696 -0.474 -8.946 1.00 0.00 C ATOM 768 O TRP A 121 -4.320 -0.664 -7.894 1.00 0.00 O ATOM 769 CB TRP A 121 -5.360 1.185 -9.894 1.00 0.00 C ATOM 770 CG TRP A 121 -5.489 2.202 -11.041 1.00 0.00 C ATOM 771 CD1 TRP A 121 -5.465 1.997 -12.363 1.00 0.00 C ATOM 772 CD2 TRP A 121 -5.694 3.547 -10.838 1.00 0.00 C ATOM 773 NE1 TRP A 121 -5.658 3.145 -13.000 1.00 0.00 N ATOM 774 CE2 TRP A 121 -5.810 4.115 -12.118 1.00 0.00 C ATOM 775 CE3 TRP A 121 -5.765 4.335 -9.688 1.00 0.00 C ATOM 776 CZ2 TRP A 121 -5.981 5.497 -12.271 1.00 0.00 C ATOM 777 CZ3 TRP A 121 -6.039 5.712 -9.840 1.00 0.00 C ATOM 778 CH2 TRP A 121 -6.147 6.286 -11.122 1.00 0.00 C ATOM 0 H TRP A 121 -5.798 -1.176 -10.932 1.00 0.00 H new ATOM 0 HA TRP A 121 -3.508 0.641 -10.737 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -6.323 0.705 -9.721 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -5.093 1.704 -8.973 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -5.312 1.040 -12.840 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -5.685 3.260 -14.013 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -5.615 3.904 -8.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 -5.985 5.946 -13.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 -6.167 6.331 -8.965 1.00 0.00 H new ATOM 0 HH2 TRP A 121 -6.359 7.340 -11.221 1.00 0.00 H new ATOM 779 N PHE A 122 -2.446 -0.813 -9.163 1.00 0.00 N ATOM 780 CA PHE A 122 -1.582 -1.478 -8.181 1.00 0.00 C ATOM 781 C PHE A 122 -0.881 -0.480 -7.258 1.00 0.00 C ATOM 782 O PHE A 122 -1.072 0.730 -7.371 1.00 0.00 O ATOM 783 CB PHE A 122 -0.519 -2.242 -8.967 1.00 0.00 C ATOM 784 CG PHE A 122 -0.889 -3.669 -9.338 1.00 0.00 C ATOM 785 CD1 PHE A 122 -1.559 -3.939 -10.553 1.00 0.00 C ATOM 786 CD2 PHE A 122 -0.223 -4.697 -8.637 1.00 0.00 C ATOM 787 CE1 PHE A 122 -1.525 -5.248 -11.079 1.00 0.00 C ATOM 788 CE2 PHE A 122 -0.180 -6.000 -9.165 1.00 0.00 C ATOM 789 CZ PHE A 122 -0.833 -6.261 -10.383 1.00 0.00 C ATOM 0 H PHE A 122 -1.977 -0.634 -10.051 1.00 0.00 H new ATOM 0 HA PHE A 122 -2.191 -2.130 -7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -0.300 -1.691 -9.882 1.00 0.00 H new ATOM 0 HB3 PHE A 122 0.399 -2.263 -8.380 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -2.090 -3.154 -11.072 1.00 0.00 H new ATOM 0 HD2 PHE A 122 0.255 -4.483 -7.693 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -2.026 -5.473 -12.009 1.00 0.00 H new ATOM 0 HE2 PHE A 122 0.345 -6.787 -8.644 1.00 0.00 H new ATOM 0 HZ PHE A 122 -0.804 -7.259 -10.794 1.00 0.00 H new ATOM 790 N VAL A 123 -0.093 -1.016 -6.338 1.00 0.00 N ATOM 791 CA VAL A 123 0.788 -0.176 -5.508 1.00 0.00 C ATOM 792 C VAL A 123 2.266 -0.170 -5.918 1.00 0.00 C ATOM 793 O VAL A 123 2.863 -1.200 -6.181 1.00 0.00 O ATOM 794 CB VAL A 123 0.600 -0.423 -3.991 1.00 0.00 C ATOM 795 CG1 VAL A 123 -0.816 -0.025 -3.552 1.00 0.00 C ATOM 796 CG2 VAL A 123 0.947 -1.839 -3.538 1.00 0.00 C ATOM 0 H VAL A 123 -0.038 -2.015 -6.141 1.00 0.00 H new ATOM 0 HA VAL A 123 0.447 0.838 -5.716 1.00 0.00 H new ATOM 0 HB VAL A 123 1.324 0.219 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -0.930 -0.206 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -0.978 1.033 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -1.547 -0.619 -4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.788 -1.927 -2.463 1.00 0.00 H new ATOM 0 HG22 VAL A 123 0.310 -2.554 -4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 123 1.992 -2.049 -3.768 1.00 0.00 H new ATOM 797 N GLY A 124 2.767 1.057 -5.937 1.00 0.00 N ATOM 798 CA GLY A 124 4.120 1.419 -6.396 1.00 0.00 C ATOM 799 C GLY A 124 4.333 2.905 -6.162 1.00 0.00 C ATOM 800 O GLY A 124 3.576 3.739 -6.657 1.00 0.00 O ATOM 0 H GLY A 124 2.230 1.865 -5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 124 4.869 0.840 -5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 124 4.236 1.183 -7.454 1.00 0.00 H new ATOM 801 N LEU A 125 5.344 3.210 -5.364 1.00 0.00 N ATOM 802 CA LEU A 125 5.566 4.594 -4.918 1.00 0.00 C ATOM 803 C LEU A 125 6.372 5.471 -5.880 1.00 0.00 C ATOM 804 O LEU A 125 7.259 5.027 -6.609 1.00 0.00 O ATOM 805 CB LEU A 125 6.083 4.651 -3.459 1.00 0.00 C ATOM 806 CG LEU A 125 7.298 3.779 -3.136 1.00 0.00 C ATOM 807 CD1 LEU A 125 8.602 4.378 -3.671 1.00 0.00 C ATOM 808 CD2 LEU A 125 7.398 3.641 -1.621 1.00 0.00 C ATOM 0 H LEU A 125 6.021 2.534 -5.010 1.00 0.00 H new ATOM 0 HA LEU A 125 4.579 5.055 -4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 125 6.333 5.686 -3.225 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.268 4.362 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 125 7.161 2.811 -3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 125 9.435 3.723 -3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.538 4.480 -4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.762 5.359 -3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 125 8.259 3.022 -1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 125 7.516 4.628 -1.173 1.00 0.00 H new ATOM 0 HD23 LEU A 125 6.491 3.175 -1.237 1.00 0.00 H new ATOM 809 N LYS A 126 6.066 6.747 -5.733 1.00 0.00 N ATOM 810 CA LYS A 126 6.690 7.846 -6.487 1.00 0.00 C ATOM 811 C LYS A 126 7.941 8.257 -5.707 1.00 0.00 C ATOM 812 O LYS A 126 7.889 8.605 -4.519 1.00 0.00 O ATOM 813 CB LYS A 126 5.671 8.983 -6.589 1.00 0.00 C ATOM 814 CG LYS A 126 6.232 10.150 -7.403 1.00 0.00 C ATOM 815 CD LYS A 126 5.391 11.411 -7.204 1.00 0.00 C ATOM 816 CE LYS A 126 6.019 12.625 -7.897 1.00 0.00 C ATOM 817 NZ LYS A 126 5.766 12.586 -9.342 1.00 0.00 N ATOM 0 H LYS A 126 5.359 7.068 -5.071 1.00 0.00 H new ATOM 0 HA LYS A 126 6.979 7.565 -7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 126 4.757 8.616 -7.055 1.00 0.00 H new ATOM 0 HB3 LYS A 126 5.403 9.327 -5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 126 7.262 10.345 -7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 126 6.252 9.885 -8.460 1.00 0.00 H new ATOM 0 HD2 LYS A 126 4.388 11.246 -7.597 1.00 0.00 H new ATOM 0 HD3 LYS A 126 5.286 11.614 -6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 126 5.609 13.543 -7.476 1.00 0.00 H new ATOM 0 HE3 LYS A 126 7.093 12.641 -7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 6.200 13.417 -9.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 6.178 11.720 -9.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 4.741 12.594 -9.515 1.00 0.00 H new ATOM 818 N LYS A 127 9.034 8.294 -6.468 1.00 0.00 N ATOM 819 CA LYS A 127 10.403 8.597 -5.993 1.00 0.00 C ATOM 820 C LYS A 127 10.586 9.842 -5.109 1.00 0.00 C ATOM 821 O LYS A 127 11.372 9.837 -4.173 1.00 0.00 O ATOM 822 CB LYS A 127 11.424 8.638 -7.149 1.00 0.00 C ATOM 823 CG LYS A 127 11.152 9.643 -8.285 1.00 0.00 C ATOM 824 CD LYS A 127 10.105 9.112 -9.271 1.00 0.00 C ATOM 825 CE LYS A 127 10.050 9.910 -10.571 1.00 0.00 C ATOM 826 NZ LYS A 127 9.455 11.234 -10.375 1.00 0.00 N ATOM 0 H LYS A 127 9.000 8.108 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 127 10.596 7.753 -5.331 1.00 0.00 H new ATOM 0 HB2 LYS A 127 12.405 8.860 -6.728 1.00 0.00 H new ATOM 0 HB3 LYS A 127 11.483 7.641 -7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 127 10.808 10.587 -7.862 1.00 0.00 H new ATOM 0 HG3 LYS A 127 12.080 9.852 -8.817 1.00 0.00 H new ATOM 0 HD2 LYS A 127 10.326 8.070 -9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 127 9.124 9.133 -8.797 1.00 0.00 H new ATOM 0 HE2 LYS A 127 11.058 10.021 -10.972 1.00 0.00 H new ATOM 0 HE3 LYS A 127 9.471 9.358 -11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 9.876 11.907 -11.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 8.429 11.181 -10.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.637 11.556 -9.403 1.00 0.00 H new ATOM 827 N ASN A 128 9.740 10.834 -5.360 1.00 0.00 N ATOM 828 CA ASN A 128 9.661 12.112 -4.623 1.00 0.00 C ATOM 829 C ASN A 128 8.953 11.973 -3.263 1.00 0.00 C ATOM 830 O ASN A 128 8.216 12.846 -2.811 1.00 0.00 O ATOM 831 CB ASN A 128 8.951 13.091 -5.558 1.00 0.00 C ATOM 832 CG ASN A 128 9.774 13.351 -6.822 1.00 0.00 C ATOM 833 OD1 ASN A 128 9.610 12.720 -7.863 1.00 0.00 O ATOM 834 ND2 ASN A 128 10.722 14.242 -6.713 1.00 0.00 N ATOM 0 H ASN A 128 9.055 10.778 -6.114 1.00 0.00 H new ATOM 0 HA ASN A 128 10.657 12.472 -4.363 1.00 0.00 H new ATOM 0 HB2 ASN A 128 7.975 12.691 -5.833 1.00 0.00 H new ATOM 0 HB3 ASN A 128 8.775 14.032 -5.037 1.00 0.00 H new ATOM 0 HD21 ASN A 128 11.343 14.425 -7.501 1.00 0.00 H new ATOM 0 HD22 ASN A 128 10.841 14.755 -5.840 1.00 0.00 H new ATOM 835 N GLY A 129 9.244 10.836 -2.630 1.00 0.00 N ATOM 836 CA GLY A 129 8.743 10.385 -1.328 1.00 0.00 C ATOM 837 C GLY A 129 7.210 10.309 -1.210 1.00 0.00 C ATOM 838 O GLY A 129 6.707 10.472 -0.103 1.00 0.00 O ATOM 0 H GLY A 129 9.882 10.156 -3.043 1.00 0.00 H new ATOM 0 HA2 GLY A 129 9.158 9.399 -1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 129 9.118 11.059 -0.558 1.00 0.00 H new ATOM 839 N SER A 130 6.520 9.833 -2.250 1.00 0.00 N ATOM 840 CA SER A 130 5.038 9.819 -2.220 1.00 0.00 C ATOM 841 C SER A 130 4.472 8.465 -2.649 1.00 0.00 C ATOM 842 O SER A 130 5.064 7.751 -3.458 1.00 0.00 O ATOM 843 CB SER A 130 4.448 10.908 -3.121 1.00 0.00 C ATOM 844 OG SER A 130 3.083 11.083 -2.732 1.00 0.00 O ATOM 0 H SER A 130 6.939 9.461 -3.103 1.00 0.00 H new ATOM 0 HA SER A 130 4.754 10.011 -1.185 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.002 11.840 -3.012 1.00 0.00 H new ATOM 0 HB3 SER A 130 4.515 10.618 -4.170 1.00 0.00 H new ATOM 0 HG SER A 130 3.030 11.180 -1.758 1.00 0.00 H new ATOM 845 N CYS A 131 3.336 8.115 -2.074 1.00 0.00 N ATOM 846 CA CYS A 131 2.585 6.908 -2.462 1.00 0.00 C ATOM 847 C CYS A 131 1.551 7.252 -3.525 1.00 0.00 C ATOM 848 O CYS A 131 0.334 7.217 -3.354 1.00 0.00 O ATOM 849 CB CYS A 131 1.933 6.263 -1.241 1.00 0.00 C ATOM 850 SG CYS A 131 3.137 5.361 -0.203 1.00 0.00 S ATOM 0 H CYS A 131 2.898 8.651 -1.324 1.00 0.00 H new ATOM 0 HA CYS A 131 3.280 6.183 -2.886 1.00 0.00 H new ATOM 0 HB2 CYS A 131 1.447 7.034 -0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 131 1.154 5.575 -1.569 1.00 0.00 H new ATOM 0 HG CYS A 131 3.842 4.564 -0.949 1.00 0.00 H new ATOM 851 N LYS A 132 2.176 7.574 -4.654 1.00 0.00 N ATOM 852 CA LYS A 132 1.517 7.997 -5.899 1.00 0.00 C ATOM 853 C LYS A 132 1.708 6.900 -6.946 1.00 0.00 C ATOM 854 O LYS A 132 2.825 6.476 -7.248 1.00 0.00 O ATOM 855 CB LYS A 132 2.022 9.345 -6.407 1.00 0.00 C ATOM 856 CG LYS A 132 1.117 9.841 -7.552 1.00 0.00 C ATOM 857 CD LYS A 132 1.881 10.328 -8.794 1.00 0.00 C ATOM 858 CE LYS A 132 2.777 9.234 -9.387 1.00 0.00 C ATOM 859 NZ LYS A 132 3.365 9.666 -10.667 1.00 0.00 N ATOM 0 H LYS A 132 3.192 7.549 -4.736 1.00 0.00 H new ATOM 0 HA LYS A 132 0.455 8.141 -5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 132 2.028 10.072 -5.595 1.00 0.00 H new ATOM 0 HB3 LYS A 132 3.050 9.251 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 132 0.446 9.034 -7.845 1.00 0.00 H new ATOM 0 HG3 LYS A 132 0.494 10.654 -7.181 1.00 0.00 H new ATOM 0 HD2 LYS A 132 1.169 10.661 -9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 132 2.491 11.191 -8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 132 3.572 8.989 -8.682 1.00 0.00 H new ATOM 0 HE3 LYS A 132 2.195 8.325 -9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 3.967 8.907 -11.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 2.605 9.877 -11.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 3.939 10.520 -10.515 1.00 0.00 H new ATOM 860 N ARG A 133 0.592 6.194 -7.058 1.00 0.00 N ATOM 861 CA ARG A 133 0.353 5.145 -8.052 1.00 0.00 C ATOM 862 C ARG A 133 -0.381 5.771 -9.251 1.00 0.00 C ATOM 863 O ARG A 133 0.135 6.703 -9.864 1.00 0.00 O ATOM 864 CB ARG A 133 -0.444 4.018 -7.363 1.00 0.00 C ATOM 865 CG ARG A 133 0.324 3.303 -6.248 1.00 0.00 C ATOM 866 CD ARG A 133 0.267 3.946 -4.871 1.00 0.00 C ATOM 867 NE ARG A 133 1.616 3.751 -4.318 1.00 0.00 N ATOM 868 CZ ARG A 133 1.952 3.037 -3.239 1.00 0.00 C ATOM 869 NH1 ARG A 133 1.067 2.554 -2.400 1.00 0.00 N ATOM 870 NH2 ARG A 133 3.219 2.955 -2.868 1.00 0.00 N ATOM 0 H ARG A 133 -0.205 6.338 -6.438 1.00 0.00 H new ATOM 0 HA ARG A 133 1.275 4.709 -8.436 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -1.361 4.437 -6.948 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -0.740 3.285 -8.114 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -0.059 2.286 -6.167 1.00 0.00 H new ATOM 0 HG3 ARG A 133 1.369 3.227 -6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.014 5.004 -4.937 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -0.491 3.476 -4.244 1.00 0.00 H new ATOM 0 HE ARG A 133 2.380 4.212 -4.813 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.073 2.718 -2.557 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.373 2.015 -1.590 1.00 0.00 H new ATOM 0 HH21 ARG A 133 3.940 3.437 -3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.475 2.410 -2.045 1.00 0.00 H new ATOM 871 N GLY A 134 -1.577 5.265 -9.525 1.00 0.00 N ATOM 872 CA GLY A 134 -2.511 5.728 -10.562 1.00 0.00 C ATOM 873 C GLY A 134 -2.423 4.804 -11.783 1.00 0.00 C ATOM 874 O GLY A 134 -2.126 3.620 -11.600 1.00 0.00 O ATOM 0 H GLY A 134 -1.950 4.473 -9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -3.529 5.736 -10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -2.272 6.752 -10.850 1.00 0.00 H new ATOM 875 N PRO A 135 -2.650 5.326 -12.992 1.00 0.00 N ATOM 876 CA PRO A 135 -2.811 4.465 -14.166 1.00 0.00 C ATOM 877 C PRO A 135 -1.465 4.143 -14.834 1.00 0.00 C ATOM 878 O PRO A 135 -1.250 4.292 -16.046 1.00 0.00 O ATOM 879 CB PRO A 135 -3.763 5.243 -15.075 1.00 0.00 C ATOM 880 CG PRO A 135 -3.570 6.715 -14.696 1.00 0.00 C ATOM 881 CD PRO A 135 -2.818 6.750 -13.355 1.00 0.00 C ATOM 0 HA PRO A 135 -3.213 3.484 -13.914 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -3.530 5.074 -16.126 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -4.796 4.930 -14.923 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -3.005 7.239 -15.467 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -4.533 7.218 -14.609 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -1.855 7.252 -13.452 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -3.384 7.290 -12.596 1.00 0.00 H new ATOM 882 N ARG A 136 -0.611 3.611 -13.978 1.00 0.00 N ATOM 883 CA ARG A 136 0.828 3.336 -14.240 1.00 0.00 C ATOM 884 C ARG A 136 1.455 2.225 -13.391 1.00 0.00 C ATOM 885 O ARG A 136 2.433 1.597 -13.802 1.00 0.00 O ATOM 886 CB ARG A 136 1.661 4.623 -14.133 1.00 0.00 C ATOM 887 CG ARG A 136 1.524 5.387 -12.802 1.00 0.00 C ATOM 888 CD ARG A 136 2.104 6.790 -12.959 1.00 0.00 C ATOM 889 NE ARG A 136 1.245 7.701 -12.196 1.00 0.00 N ATOM 890 CZ ARG A 136 0.501 8.701 -12.670 1.00 0.00 C ATOM 891 NH1 ARG A 136 0.665 9.175 -13.891 1.00 0.00 N ATOM 892 NH2 ARG A 136 -0.300 9.352 -11.853 1.00 0.00 N ATOM 0 H ARG A 136 -0.893 3.340 -13.036 1.00 0.00 H new ATOM 0 HA ARG A 136 0.848 2.956 -15.262 1.00 0.00 H new ATOM 0 HB2 ARG A 136 2.711 4.370 -14.281 1.00 0.00 H new ATOM 0 HB3 ARG A 136 1.376 5.290 -14.947 1.00 0.00 H new ATOM 0 HG2 ARG A 136 0.475 5.446 -12.510 1.00 0.00 H new ATOM 0 HG3 ARG A 136 2.046 4.853 -12.008 1.00 0.00 H new ATOM 0 HD2 ARG A 136 3.129 6.827 -12.589 1.00 0.00 H new ATOM 0 HD3 ARG A 136 2.134 7.079 -14.010 1.00 0.00 H new ATOM 0 HE ARG A 136 1.213 7.553 -11.187 1.00 0.00 H new ATOM 0 HH11 ARG A 136 1.377 8.775 -14.502 1.00 0.00 H new ATOM 0 HH12 ARG A 136 0.079 9.941 -14.224 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -0.347 9.090 -10.868 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -0.874 10.119 -12.205 1.00 0.00 H new ATOM 893 N THR A 137 0.914 2.025 -12.194 1.00 0.00 N ATOM 894 CA THR A 137 1.401 0.968 -11.302 1.00 0.00 C ATOM 895 C THR A 137 0.776 -0.381 -11.660 1.00 0.00 C ATOM 896 O THR A 137 -0.413 -0.611 -11.453 1.00 0.00 O ATOM 897 CB THR A 137 1.120 1.283 -9.834 1.00 0.00 C ATOM 898 OG1 THR A 137 -0.240 1.731 -9.672 1.00 0.00 O ATOM 899 CG2 THR A 137 2.115 2.297 -9.265 1.00 0.00 C ATOM 0 H THR A 137 0.142 2.575 -11.817 1.00 0.00 H new ATOM 0 HA THR A 137 2.481 0.916 -11.441 1.00 0.00 H new ATOM 0 HB THR A 137 1.251 0.364 -9.263 1.00 0.00 H new ATOM 0 HG1 THR A 137 -0.632 1.308 -8.879 1.00 0.00 H new ATOM 0 HG21 THR A 137 1.878 2.492 -8.219 1.00 0.00 H new ATOM 0 HG22 THR A 137 3.126 1.896 -9.339 1.00 0.00 H new ATOM 0 HG23 THR A 137 2.051 3.227 -9.831 1.00 0.00 H new ATOM 900 N HIS A 138 1.543 -1.139 -12.432 1.00 0.00 N ATOM 901 CA HIS A 138 1.210 -2.543 -12.788 1.00 0.00 C ATOM 902 C HIS A 138 2.447 -3.407 -13.015 1.00 0.00 C ATOM 903 O HIS A 138 3.569 -2.958 -13.265 1.00 0.00 O ATOM 904 CB HIS A 138 0.213 -2.620 -13.950 1.00 0.00 C ATOM 905 CG HIS A 138 0.553 -1.710 -15.134 1.00 0.00 C ATOM 906 ND1 HIS A 138 1.712 -1.670 -15.794 1.00 0.00 N ATOM 907 CD2 HIS A 138 -0.226 -0.753 -15.611 1.00 0.00 C ATOM 908 CE1 HIS A 138 1.652 -0.674 -16.674 1.00 0.00 C ATOM 909 NE2 HIS A 138 0.453 -0.118 -16.566 1.00 0.00 N ATOM 0 H HIS A 138 2.420 -0.812 -12.838 1.00 0.00 H new ATOM 0 HA HIS A 138 0.709 -2.970 -11.919 1.00 0.00 H new ATOM 0 HB2 HIS A 138 0.162 -3.650 -14.302 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -0.779 -2.360 -13.580 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -1.231 -0.527 -15.285 1.00 0.00 H new ATOM 0 HE1 HIS A 138 2.437 -0.373 -17.352 1.00 0.00 H new ATOM 0 HE2 HIS A 138 0.108 0.665 -17.121 1.00 0.00 H new ATOM 910 N TYR A 139 2.158 -4.684 -12.799 1.00 0.00 N ATOM 911 CA TYR A 139 3.103 -5.789 -12.901 1.00 0.00 C ATOM 912 C TYR A 139 3.771 -5.889 -14.279 1.00 0.00 C ATOM 913 O TYR A 139 3.319 -5.355 -15.293 1.00 0.00 O ATOM 914 CB TYR A 139 2.317 -7.041 -12.510 1.00 0.00 C ATOM 915 CG TYR A 139 3.070 -8.377 -12.375 1.00 0.00 C ATOM 916 CD1 TYR A 139 4.384 -8.465 -11.855 1.00 0.00 C ATOM 917 CD2 TYR A 139 2.336 -9.520 -12.728 1.00 0.00 C ATOM 918 CE1 TYR A 139 4.969 -9.743 -11.683 1.00 0.00 C ATOM 919 CE2 TYR A 139 2.911 -10.793 -12.538 1.00 0.00 C ATOM 920 CZ TYR A 139 4.207 -10.886 -12.006 1.00 0.00 C ATOM 921 OH TYR A 139 4.659 -12.120 -11.668 1.00 0.00 O ATOM 0 H TYR A 139 1.221 -4.991 -12.537 1.00 0.00 H new ATOM 0 HA TYR A 139 3.952 -5.642 -12.233 1.00 0.00 H new ATOM 0 HB2 TYR A 139 1.828 -6.840 -11.557 1.00 0.00 H new ATOM 0 HB3 TYR A 139 1.528 -7.180 -13.249 1.00 0.00 H new ATOM 0 HD1 TYR A 139 4.931 -7.571 -11.594 1.00 0.00 H new ATOM 0 HD2 TYR A 139 1.342 -9.425 -13.140 1.00 0.00 H new ATOM 0 HE1 TYR A 139 5.978 -9.841 -11.312 1.00 0.00 H new ATOM 0 HE2 TYR A 139 2.362 -11.686 -12.798 1.00 0.00 H new ATOM 0 HH TYR A 139 3.946 -12.778 -11.803 1.00 0.00 H new ATOM 922 N GLY A 140 4.898 -6.571 -14.184 1.00 0.00 N ATOM 923 CA GLY A 140 5.946 -6.695 -15.217 1.00 0.00 C ATOM 924 C GLY A 140 7.245 -6.041 -14.712 1.00 0.00 C ATOM 925 O GLY A 140 8.344 -6.473 -15.069 1.00 0.00 O ATOM 0 H GLY A 140 5.134 -7.090 -13.338 1.00 0.00 H new ATOM 0 HA2 GLY A 140 6.121 -7.746 -15.448 1.00 0.00 H new ATOM 0 HA3 GLY A 140 5.620 -6.216 -16.140 1.00 0.00 H new ATOM 926 N GLN A 141 7.065 -4.964 -13.954 1.00 0.00 N ATOM 927 CA GLN A 141 8.136 -4.169 -13.353 1.00 0.00 C ATOM 928 C GLN A 141 8.230 -4.189 -11.825 1.00 0.00 C ATOM 929 O GLN A 141 7.242 -4.296 -11.092 1.00 0.00 O ATOM 930 CB GLN A 141 7.921 -2.722 -13.818 1.00 0.00 C ATOM 931 CG GLN A 141 8.385 -2.514 -15.252 1.00 0.00 C ATOM 932 CD GLN A 141 9.889 -2.795 -15.386 1.00 0.00 C ATOM 933 OE1 GLN A 141 10.732 -2.093 -14.842 1.00 0.00 O ATOM 934 NE2 GLN A 141 10.228 -3.966 -15.869 1.00 0.00 N ATOM 0 H GLN A 141 6.136 -4.606 -13.732 1.00 0.00 H new ATOM 0 HA GLN A 141 9.074 -4.616 -13.682 1.00 0.00 H new ATOM 0 HB2 GLN A 141 6.864 -2.468 -13.738 1.00 0.00 H new ATOM 0 HB3 GLN A 141 8.463 -2.044 -13.159 1.00 0.00 H new ATOM 0 HG2 GLN A 141 7.827 -3.172 -15.918 1.00 0.00 H new ATOM 0 HG3 GLN A 141 8.173 -1.491 -15.563 1.00 0.00 H new ATOM 0 HE21 GLN A 141 9.528 -4.553 -16.323 1.00 0.00 H new ATOM 0 HE22 GLN A 141 11.192 -4.290 -15.791 1.00 0.00 H new ATOM 935 N LYS A 142 9.440 -3.809 -11.440 1.00 0.00 N ATOM 936 CA LYS A 142 9.886 -3.517 -10.058 1.00 0.00 C ATOM 937 C LYS A 142 9.058 -2.454 -9.334 1.00 0.00 C ATOM 938 O LYS A 142 8.881 -2.544 -8.116 1.00 0.00 O ATOM 939 CB LYS A 142 11.363 -3.094 -10.083 1.00 0.00 C ATOM 940 CG LYS A 142 12.330 -4.262 -10.261 1.00 0.00 C ATOM 941 CD LYS A 142 12.422 -4.804 -11.693 1.00 0.00 C ATOM 942 CE LYS A 142 13.129 -6.162 -11.726 1.00 0.00 C ATOM 943 NZ LYS A 142 12.305 -7.158 -11.023 1.00 0.00 N ATOM 0 H LYS A 142 10.194 -3.684 -12.116 1.00 0.00 H new ATOM 0 HA LYS A 142 9.745 -4.437 -9.491 1.00 0.00 H new ATOM 0 HB2 LYS A 142 11.514 -2.381 -10.893 1.00 0.00 H new ATOM 0 HB3 LYS A 142 11.600 -2.576 -9.154 1.00 0.00 H new ATOM 0 HG2 LYS A 142 13.323 -3.946 -9.942 1.00 0.00 H new ATOM 0 HG3 LYS A 142 12.025 -5.073 -9.599 1.00 0.00 H new ATOM 0 HD2 LYS A 142 11.421 -4.902 -12.113 1.00 0.00 H new ATOM 0 HD3 LYS A 142 12.962 -4.094 -12.319 1.00 0.00 H new ATOM 0 HE2 LYS A 142 13.295 -6.473 -12.757 1.00 0.00 H new ATOM 0 HE3 LYS A 142 14.109 -6.086 -11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.503 -8.105 -11.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 12.530 -7.141 -10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.299 -6.934 -11.158 1.00 0.00 H new ATOM 944 N ALA A 143 8.449 -1.579 -10.136 1.00 0.00 N ATOM 945 CA ALA A 143 7.461 -0.557 -9.735 1.00 0.00 C ATOM 946 C ALA A 143 6.491 -1.024 -8.637 1.00 0.00 C ATOM 947 O ALA A 143 6.277 -0.314 -7.658 1.00 0.00 O ATOM 948 CB ALA A 143 6.667 -0.141 -10.970 1.00 0.00 C ATOM 0 H ALA A 143 8.637 -1.557 -11.138 1.00 0.00 H new ATOM 0 HA ALA A 143 8.018 0.279 -9.311 1.00 0.00 H new ATOM 0 HB1 ALA A 143 5.932 0.614 -10.692 1.00 0.00 H new ATOM 0 HB2 ALA A 143 7.346 0.271 -11.717 1.00 0.00 H new ATOM 0 HB3 ALA A 143 6.156 -1.010 -11.384 1.00 0.00 H new ATOM 949 N ILE A 144 6.056 -2.277 -8.769 1.00 0.00 N ATOM 950 CA ILE A 144 5.045 -2.864 -7.865 1.00 0.00 C ATOM 951 C ILE A 144 5.581 -3.967 -6.927 1.00 0.00 C ATOM 952 O ILE A 144 4.825 -4.608 -6.190 1.00 0.00 O ATOM 953 CB ILE A 144 3.848 -3.350 -8.710 1.00 0.00 C ATOM 954 CG1 ILE A 144 4.236 -4.471 -9.670 1.00 0.00 C ATOM 955 CG2 ILE A 144 3.180 -2.189 -9.442 1.00 0.00 C ATOM 956 CD1 ILE A 144 3.890 -5.852 -9.110 1.00 0.00 C ATOM 0 H ILE A 144 6.385 -2.914 -9.494 1.00 0.00 H new ATOM 0 HA ILE A 144 4.727 -2.078 -7.179 1.00 0.00 H new ATOM 0 HB ILE A 144 3.118 -3.770 -8.018 1.00 0.00 H new ATOM 0 HG12 ILE A 144 3.724 -4.327 -10.621 1.00 0.00 H new ATOM 0 HG13 ILE A 144 5.306 -4.420 -9.873 1.00 0.00 H new ATOM 0 HG21 ILE A 144 2.341 -2.563 -10.028 1.00 0.00 H new ATOM 0 HG22 ILE A 144 2.819 -1.460 -8.716 1.00 0.00 H new ATOM 0 HG23 ILE A 144 3.902 -1.713 -10.105 1.00 0.00 H new ATOM 0 HD11 ILE A 144 4.184 -6.619 -9.826 1.00 0.00 H new ATOM 0 HD12 ILE A 144 4.423 -6.008 -8.172 1.00 0.00 H new ATOM 0 HD13 ILE A 144 2.816 -5.914 -8.932 1.00 0.00 H new ATOM 957 N LEU A 145 6.893 -4.171 -6.970 1.00 0.00 N ATOM 958 CA LEU A 145 7.602 -5.144 -6.131 1.00 0.00 C ATOM 959 C LEU A 145 7.700 -4.604 -4.697 1.00 0.00 C ATOM 960 O LEU A 145 8.432 -3.659 -4.403 1.00 0.00 O ATOM 961 CB LEU A 145 9.000 -5.420 -6.702 1.00 0.00 C ATOM 962 CG LEU A 145 9.045 -6.698 -7.548 1.00 0.00 C ATOM 963 CD1 LEU A 145 8.217 -6.623 -8.834 1.00 0.00 C ATOM 964 CD2 LEU A 145 10.506 -7.001 -7.896 1.00 0.00 C ATOM 0 H LEU A 145 7.510 -3.657 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 145 7.049 -6.083 -6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 145 9.314 -4.573 -7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 145 9.714 -5.505 -5.883 1.00 0.00 H new ATOM 0 HG LEU A 145 8.600 -7.493 -6.950 1.00 0.00 H new ATOM 0 HD11 LEU A 145 8.301 -7.565 -9.376 1.00 0.00 H new ATOM 0 HD12 LEU A 145 7.172 -6.440 -8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 145 8.588 -5.811 -9.459 1.00 0.00 H new ATOM 0 HD21 LEU A 145 10.556 -7.908 -8.498 1.00 0.00 H new ATOM 0 HD22 LEU A 145 10.926 -6.168 -8.459 1.00 0.00 H new ATOM 0 HD23 LEU A 145 11.077 -7.143 -6.978 1.00 0.00 H new ATOM 965 N PHE A 146 6.758 -5.086 -3.901 1.00 0.00 N ATOM 966 CA PHE A 146 6.645 -4.752 -2.480 1.00 0.00 C ATOM 967 C PHE A 146 6.695 -6.032 -1.657 1.00 0.00 C ATOM 968 O PHE A 146 6.301 -7.116 -2.080 1.00 0.00 O ATOM 969 CB PHE A 146 5.317 -4.054 -2.192 1.00 0.00 C ATOM 970 CG PHE A 146 5.311 -2.551 -2.510 1.00 0.00 C ATOM 971 CD1 PHE A 146 5.580 -2.082 -3.808 1.00 0.00 C ATOM 972 CD2 PHE A 146 4.966 -1.656 -1.470 1.00 0.00 C ATOM 973 CE1 PHE A 146 5.503 -0.704 -4.086 1.00 0.00 C ATOM 974 CE2 PHE A 146 4.866 -0.275 -1.741 1.00 0.00 C ATOM 975 CZ PHE A 146 5.135 0.189 -3.048 1.00 0.00 C ATOM 0 H PHE A 146 6.037 -5.731 -4.224 1.00 0.00 H new ATOM 0 HA PHE A 146 7.469 -4.088 -2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 146 4.532 -4.539 -2.772 1.00 0.00 H new ATOM 0 HB3 PHE A 146 5.068 -4.192 -1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 146 5.845 -2.778 -4.590 1.00 0.00 H new ATOM 0 HD2 PHE A 146 4.780 -2.028 -0.473 1.00 0.00 H new ATOM 0 HE1 PHE A 146 5.721 -0.332 -5.076 1.00 0.00 H new ATOM 0 HE2 PHE A 146 4.588 0.418 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 146 5.059 1.245 -3.261 1.00 0.00 H new ATOM 976 N LEU A 147 7.213 -5.833 -0.467 1.00 0.00 N ATOM 977 CA LEU A 147 7.455 -6.935 0.476 1.00 0.00 C ATOM 978 C LEU A 147 6.911 -6.655 1.882 1.00 0.00 C ATOM 979 O LEU A 147 7.303 -5.690 2.527 1.00 0.00 O ATOM 980 CB LEU A 147 8.961 -7.192 0.479 1.00 0.00 C ATOM 981 CG LEU A 147 9.347 -8.564 1.017 1.00 0.00 C ATOM 982 CD1 LEU A 147 8.816 -9.698 0.127 1.00 0.00 C ATOM 983 CD2 LEU A 147 10.872 -8.649 1.086 1.00 0.00 C ATOM 0 H LEU A 147 7.482 -4.915 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 147 6.912 -7.824 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 147 9.340 -7.091 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 147 9.450 -6.425 1.080 1.00 0.00 H new ATOM 0 HG LEU A 147 8.903 -8.683 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 147 9.113 -10.659 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 147 7.728 -9.644 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 147 9.229 -9.597 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 147 11.165 -9.626 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 147 11.290 -8.511 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 147 11.250 -7.871 1.749 1.00 0.00 H new ATOM 984 N PRO A 148 5.879 -7.407 2.275 1.00 0.00 N ATOM 985 CA PRO A 148 5.407 -7.434 3.672 1.00 0.00 C ATOM 986 C PRO A 148 6.507 -8.030 4.565 1.00 0.00 C ATOM 987 O PRO A 148 7.029 -9.110 4.309 1.00 0.00 O ATOM 988 CB PRO A 148 4.200 -8.356 3.651 1.00 0.00 C ATOM 989 CG PRO A 148 3.634 -8.167 2.252 1.00 0.00 C ATOM 990 CD PRO A 148 4.895 -8.051 1.387 1.00 0.00 C ATOM 0 HA PRO A 148 5.163 -6.444 4.057 1.00 0.00 H new ATOM 0 HB2 PRO A 148 4.483 -9.393 3.833 1.00 0.00 H new ATOM 0 HB3 PRO A 148 3.474 -8.085 4.418 1.00 0.00 H new ATOM 0 HG2 PRO A 148 3.013 -9.010 1.950 1.00 0.00 H new ATOM 0 HG3 PRO A 148 3.014 -7.273 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 148 5.240 -9.029 1.052 1.00 0.00 H new ATOM 0 HD3 PRO A 148 4.713 -7.454 0.494 1.00 0.00 H new ATOM 991 N LEU A 149 6.979 -7.171 5.467 1.00 0.00 N ATOM 992 CA LEU A 149 7.865 -7.584 6.586 1.00 0.00 C ATOM 993 C LEU A 149 7.105 -7.485 7.917 1.00 0.00 C ATOM 994 O LEU A 149 7.394 -6.604 8.736 1.00 0.00 O ATOM 995 CB LEU A 149 9.132 -6.718 6.566 1.00 0.00 C ATOM 996 CG LEU A 149 10.078 -7.000 5.390 1.00 0.00 C ATOM 997 CD1 LEU A 149 11.164 -5.929 5.367 1.00 0.00 C ATOM 998 CD2 LEU A 149 10.705 -8.393 5.495 1.00 0.00 C ATOM 0 H LEU A 149 6.768 -6.173 5.455 1.00 0.00 H new ATOM 0 HA LEU A 149 8.170 -8.624 6.471 1.00 0.00 H new ATOM 0 HB2 LEU A 149 8.839 -5.669 6.536 1.00 0.00 H new ATOM 0 HB3 LEU A 149 9.676 -6.871 7.498 1.00 0.00 H new ATOM 0 HG LEU A 149 9.506 -6.973 4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 149 11.843 -6.118 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 149 10.705 -4.948 5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 149 11.721 -5.955 6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 149 11.369 -8.558 4.646 1.00 0.00 H new ATOM 0 HD22 LEU A 149 11.275 -8.466 6.421 1.00 0.00 H new ATOM 0 HD23 LEU A 149 9.918 -9.147 5.493 1.00 0.00 H new ATOM 999 N PRO A 150 6.111 -8.353 8.161 1.00 0.00 N ATOM 1000 CA PRO A 150 5.277 -8.217 9.356 1.00 0.00 C ATOM 1001 C PRO A 150 5.993 -8.758 10.595 1.00 0.00 C ATOM 1002 O PRO A 150 6.752 -9.719 10.571 1.00 0.00 O ATOM 1003 CB PRO A 150 3.971 -8.888 9.000 1.00 0.00 C ATOM 1004 CG PRO A 150 4.397 -10.036 8.083 1.00 0.00 C ATOM 1005 CD PRO A 150 5.655 -9.521 7.370 1.00 0.00 C ATOM 0 HA PRO A 150 5.076 -7.183 9.637 1.00 0.00 H new ATOM 0 HB2 PRO A 150 3.453 -9.254 9.887 1.00 0.00 H new ATOM 0 HB3 PRO A 150 3.292 -8.201 8.494 1.00 0.00 H new ATOM 0 HG2 PRO A 150 4.608 -10.941 8.653 1.00 0.00 H new ATOM 0 HG3 PRO A 150 3.612 -10.285 7.369 1.00 0.00 H new ATOM 0 HD2 PRO A 150 6.425 -10.291 7.329 1.00 0.00 H new ATOM 0 HD3 PRO A 150 5.434 -9.236 6.342 1.00 0.00 H new