USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 649 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 54 HIS : no HD1:sc= -2.34 K(o=-2.3,f=-2.9!) USER MOD Set 1.2: A 58 SER OG : rot 140:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0878 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0428 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc= -0.464 F(o=-1.2,f=-0.46) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -0.305 F(o=-3.1!,f=-0.31) USER MOD Single : A 42 GLN : amide:sc= -0.446 K(o=-0.45,f=-2.6!) USER MOD Single : A 46 SER OG : rot -140:sc= -0.063 USER MOD Single : A 53 GLN : amide:sc= -4.71! C(o=-4.7!,f=-5.4!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc=-0.00562 X(o=-0.0056,f=-0.0056) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -4.69 K(o=-4.7,f=-18!) USER MOD Single : A 69 TYR OH : rot 80:sc= -0.41 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.0205 X(o=-0.02,f=-0.36) USER MOD Single : A 76 THR OG1 : rot 70:sc= -2.77! USER MOD Single : A 77 GLN :FLIP amide:sc= -0.64 F(o=-1.5,f=-0.64) USER MOD Single : A 79 THR OG1 : rot 22:sc= -1.12 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.24 F(o=-0.9,f=-0.24) USER MOD Single : A 87 HIS : no HD1:sc= -2.62 K(o=-2.6,f=-8.1!) USER MOD Single : A 103 HIS :FLIP no HE2:sc= -1.98 F(o=-4!,f=-2) USER MOD Single : A 105 ASN : amide:sc= -4.24 K(o=-4.2,f=-5.9!) USER MOD Single : A 109 MET CE :methyl 140:sc= -15! (180deg=-20.8!) USER MOD Single : A 111 SER OG : rot 72:sc= 0.845 USER MOD Single : A 114 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A 117 SER OG : rot -79:sc= 1.06 USER MOD Single : A 119 MET CE :methyl -110:sc= -0.901 (180deg=-4.68!) USER MOD Single : A 124 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.9!) USER MOD Single : A 125 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 MET CE :methyl -166:sc= -2.26 (180deg=-3.17) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.560 10.586 -7.518 1.00 0.00 N ATOM 44 CA THR A 32 -15.780 10.357 -6.747 1.00 0.00 C ATOM 45 C THR A 32 -15.456 9.821 -5.357 1.00 0.00 C ATOM 46 O THR A 32 -14.380 9.266 -5.130 1.00 0.00 O ATOM 47 CB THR A 32 -16.700 9.374 -7.476 1.00 0.00 C ATOM 48 OG1 THR A 32 -16.275 8.039 -7.266 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.766 9.603 -8.971 1.00 0.00 C ATOM 0 HA THR A 32 -16.291 11.314 -6.642 1.00 0.00 H new ATOM 0 HB THR A 32 -17.691 9.546 -7.056 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.876 7.426 -7.738 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.436 8.871 -9.422 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.140 10.607 -9.169 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.770 9.496 -9.400 1.00 0.00 H new ATOM 57 N SER A 33 -16.397 9.982 -4.432 1.00 0.00 N ATOM 58 CA SER A 33 -16.213 9.506 -3.066 1.00 0.00 C ATOM 59 C SER A 33 -16.006 7.996 -3.053 1.00 0.00 C ATOM 60 O SER A 33 -15.180 7.477 -2.301 1.00 0.00 O ATOM 61 CB SER A 33 -17.421 9.877 -2.205 1.00 0.00 C ATOM 62 OG SER A 33 -17.960 11.128 -2.593 1.00 0.00 O ATOM 0 H SER A 33 -17.293 10.438 -4.603 1.00 0.00 H new ATOM 0 HA SER A 33 -15.326 9.985 -2.651 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.185 9.105 -2.294 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.126 9.914 -1.156 1.00 0.00 H new ATOM 0 HG SER A 33 -18.732 11.341 -2.028 1.00 0.00 H new ATOM 68 N SER A 34 -16.756 7.297 -3.899 1.00 0.00 N ATOM 69 CA SER A 34 -16.650 5.847 -3.994 1.00 0.00 C ATOM 70 C SER A 34 -15.274 5.447 -4.514 1.00 0.00 C ATOM 71 O SER A 34 -14.771 4.368 -4.205 1.00 0.00 O ATOM 72 CB SER A 34 -17.741 5.293 -4.914 1.00 0.00 C ATOM 73 OG SER A 34 -18.799 4.722 -4.164 1.00 0.00 O ATOM 0 H SER A 34 -17.443 7.712 -4.528 1.00 0.00 H new ATOM 0 HA SER A 34 -16.783 5.426 -2.998 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.129 6.092 -5.546 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.314 4.541 -5.578 1.00 0.00 H new ATOM 0 HG SER A 34 -19.484 4.377 -4.774 1.00 0.00 H new ATOM 79 N GLN A 35 -14.669 6.331 -5.301 1.00 0.00 N ATOM 80 CA GLN A 35 -13.349 6.078 -5.860 1.00 0.00 C ATOM 81 C GLN A 35 -12.270 6.304 -4.808 1.00 0.00 C ATOM 82 O GLN A 35 -11.261 5.600 -4.780 1.00 0.00 O ATOM 83 CB GLN A 35 -13.107 6.981 -7.069 1.00 0.00 C ATOM 84 CG GLN A 35 -11.721 6.838 -7.677 1.00 0.00 C ATOM 85 CD GLN A 35 -11.408 5.411 -8.083 1.00 0.00 C ATOM 86 OE1 GLN A 35 -10.545 4.754 -7.318 1.00 0.00 O flip ATOM 87 NE2 GLN A 35 -11.937 4.905 -9.073 1.00 0.00 N flip ATOM 0 H GLN A 35 -15.074 7.229 -5.565 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.303 5.038 -6.183 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.853 6.758 -7.832 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.257 8.019 -6.771 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.642 7.486 -8.550 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.976 7.179 -6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.595 5.447 -9.633 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -11.717 3.944 -9.333 1.00 0.00 H new ATOM 96 N LEU A 36 -12.496 7.283 -3.935 1.00 0.00 N ATOM 97 CA LEU A 36 -11.545 7.589 -2.872 1.00 0.00 C ATOM 98 C LEU A 36 -11.224 6.326 -2.080 1.00 0.00 C ATOM 99 O LEU A 36 -10.059 5.996 -1.853 1.00 0.00 O ATOM 100 CB LEU A 36 -12.112 8.666 -1.943 1.00 0.00 C ATOM 101 CG LEU A 36 -11.597 10.084 -2.201 1.00 0.00 C ATOM 102 CD1 LEU A 36 -10.091 10.151 -1.997 1.00 0.00 C ATOM 103 CD2 LEU A 36 -11.968 10.539 -3.605 1.00 0.00 C ATOM 0 H LEU A 36 -13.326 7.875 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.627 7.967 -3.321 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -13.198 8.668 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.880 8.394 -0.913 1.00 0.00 H new ATOM 0 HG LEU A 36 -12.070 10.757 -1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.743 11.167 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -9.850 9.869 -0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -9.599 9.466 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.594 11.549 -3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -11.524 9.863 -4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -13.052 10.531 -3.715 1.00 0.00 H new ATOM 115 N LEU A 37 -12.270 5.612 -1.679 1.00 0.00 N ATOM 116 CA LEU A 37 -12.102 4.374 -0.933 1.00 0.00 C ATOM 117 C LEU A 37 -11.731 3.233 -1.875 1.00 0.00 C ATOM 118 O LEU A 37 -11.119 2.249 -1.461 1.00 0.00 O ATOM 119 CB LEU A 37 -13.383 4.029 -0.169 1.00 0.00 C ATOM 120 CG LEU A 37 -14.601 3.731 -1.046 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.784 2.230 -1.214 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.854 4.358 -0.451 1.00 0.00 C ATOM 0 H LEU A 37 -13.240 5.870 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.295 4.514 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.189 3.162 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.627 4.859 0.495 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.431 4.169 -2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.655 2.038 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.897 1.806 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.931 1.770 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.710 4.136 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.027 3.950 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.723 5.438 -0.383 1.00 0.00 H new ATOM 134 N SER A 38 -12.099 3.375 -3.148 1.00 0.00 N ATOM 135 CA SER A 38 -11.797 2.357 -4.146 1.00 0.00 C ATOM 136 C SER A 38 -10.292 2.228 -4.344 1.00 0.00 C ATOM 137 O SER A 38 -9.777 1.132 -4.565 1.00 0.00 O ATOM 138 CB SER A 38 -12.471 2.697 -5.476 1.00 0.00 C ATOM 139 OG SER A 38 -12.338 1.633 -6.403 1.00 0.00 O ATOM 0 H SER A 38 -12.605 4.184 -3.509 1.00 0.00 H new ATOM 0 HA SER A 38 -12.185 1.404 -3.787 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.527 2.907 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.028 3.602 -5.891 1.00 0.00 H new ATOM 0 HG SER A 38 -12.779 1.875 -7.244 1.00 0.00 H new ATOM 145 N VAL A 39 -9.589 3.354 -4.264 1.00 0.00 N ATOM 146 CA VAL A 39 -8.144 3.359 -4.435 1.00 0.00 C ATOM 147 C VAL A 39 -7.443 2.881 -3.164 1.00 0.00 C ATOM 148 O VAL A 39 -6.377 2.269 -3.226 1.00 0.00 O ATOM 149 CB VAL A 39 -7.620 4.756 -4.834 1.00 0.00 C ATOM 150 CG1 VAL A 39 -7.621 5.710 -3.646 1.00 0.00 C ATOM 151 CG2 VAL A 39 -6.229 4.646 -5.442 1.00 0.00 C ATOM 0 H VAL A 39 -9.997 4.271 -4.082 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.915 2.668 -5.246 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.295 5.168 -5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.247 6.684 -3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.637 5.817 -3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.980 5.312 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.873 5.639 -5.718 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.548 4.206 -4.714 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.269 4.015 -6.330 1.00 0.00 H new ATOM 161 N ARG A 40 -8.054 3.151 -2.013 1.00 0.00 N ATOM 162 CA ARG A 40 -7.488 2.730 -0.736 1.00 0.00 C ATOM 163 C ARG A 40 -7.697 1.228 -0.536 1.00 0.00 C ATOM 164 O ARG A 40 -6.968 0.586 0.221 1.00 0.00 O ATOM 165 CB ARG A 40 -8.108 3.541 0.419 1.00 0.00 C ATOM 166 CG ARG A 40 -8.539 2.716 1.628 1.00 0.00 C ATOM 167 CD ARG A 40 -9.921 2.113 1.430 1.00 0.00 C ATOM 168 NE ARG A 40 -10.428 1.493 2.652 1.00 0.00 N ATOM 169 CZ ARG A 40 -10.001 0.322 3.122 1.00 0.00 C ATOM 170 NH1 ARG A 40 -9.059 -0.356 2.478 1.00 0.00 N ATOM 171 NH2 ARG A 40 -10.516 -0.171 4.240 1.00 0.00 N ATOM 0 H ARG A 40 -8.937 3.657 -1.939 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.415 2.924 -0.741 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.385 4.288 0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.975 4.081 0.039 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.815 1.920 1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.540 3.346 2.517 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.612 2.890 1.104 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.881 1.368 0.635 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.151 1.986 3.176 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.658 0.019 1.618 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.736 -1.252 2.843 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.239 0.346 4.740 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.189 -1.068 4.600 1.00 0.00 H new ATOM 185 N HIS A 41 -8.694 0.675 -1.223 1.00 0.00 N ATOM 186 CA HIS A 41 -8.994 -0.748 -1.124 1.00 0.00 C ATOM 187 C HIS A 41 -8.040 -1.564 -1.990 1.00 0.00 C ATOM 188 O HIS A 41 -7.677 -2.687 -1.642 1.00 0.00 O ATOM 189 CB HIS A 41 -10.440 -1.017 -1.547 1.00 0.00 C ATOM 190 CG HIS A 41 -11.435 -0.827 -0.444 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.458 0.052 -0.314 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -11.446 -1.596 0.701 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.060 -0.202 0.894 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -12.432 -1.200 1.486 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.307 1.192 -1.854 1.00 0.00 H new ATOM 0 HA HIS A 41 -8.865 -1.050 -0.085 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.697 -0.355 -2.374 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.516 -2.038 -1.921 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -10.756 -2.397 0.921 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.910 0.330 1.295 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -12.668 -1.598 2.395 1.00 0.00 H new ATOM 203 N GLN A 42 -7.637 -0.991 -3.121 1.00 0.00 N ATOM 204 CA GLN A 42 -6.724 -1.667 -4.036 1.00 0.00 C ATOM 205 C GLN A 42 -5.293 -1.621 -3.507 1.00 0.00 C ATOM 206 O GLN A 42 -4.513 -2.552 -3.712 1.00 0.00 O ATOM 207 CB GLN A 42 -6.802 -1.034 -5.432 1.00 0.00 C ATOM 208 CG GLN A 42 -5.963 0.225 -5.594 1.00 0.00 C ATOM 209 CD GLN A 42 -4.607 -0.054 -6.213 1.00 0.00 C ATOM 210 OE1 GLN A 42 -4.405 -1.085 -6.854 1.00 0.00 O ATOM 211 NE2 GLN A 42 -3.669 0.867 -6.022 1.00 0.00 N ATOM 0 H GLN A 42 -7.928 -0.062 -3.425 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.025 -2.712 -4.110 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.481 -1.769 -6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.842 -0.795 -5.652 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.502 0.939 -6.216 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.824 0.693 -4.619 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.881 1.707 -5.484 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.737 0.734 -6.414 1.00 0.00 H new ATOM 220 N LEU A 43 -4.956 -0.531 -2.826 1.00 0.00 N ATOM 221 CA LEU A 43 -3.621 -0.359 -2.267 1.00 0.00 C ATOM 222 C LEU A 43 -3.416 -1.275 -1.064 1.00 0.00 C ATOM 223 O LEU A 43 -2.577 -2.175 -1.090 1.00 0.00 O ATOM 224 CB LEU A 43 -3.403 1.102 -1.852 1.00 0.00 C ATOM 225 CG LEU A 43 -2.012 1.691 -2.145 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.618 2.674 -1.054 1.00 0.00 C ATOM 227 CD2 LEU A 43 -0.961 0.595 -2.274 1.00 0.00 C ATOM 0 H LEU A 43 -5.590 0.248 -2.648 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.894 -0.625 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.148 1.716 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.592 1.186 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.064 2.218 -3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.632 3.084 -1.272 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.347 3.484 -1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.592 2.160 -0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.010 1.045 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.908 0.030 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.232 -0.075 -3.090 1.00 0.00 H new ATOM 239 N ALA A 44 -4.189 -1.035 -0.009 1.00 0.00 N ATOM 240 CA ALA A 44 -4.098 -1.832 1.211 1.00 0.00 C ATOM 241 C ALA A 44 -4.203 -3.325 0.912 1.00 0.00 C ATOM 242 O ALA A 44 -3.540 -4.142 1.549 1.00 0.00 O ATOM 243 CB ALA A 44 -5.180 -1.413 2.194 1.00 0.00 C ATOM 0 H ALA A 44 -4.888 -0.293 0.026 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.121 -1.650 1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.102 -2.015 3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.055 -0.360 2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.160 -1.564 1.742 1.00 0.00 H new ATOM 249 N GLU A 45 -5.039 -3.674 -0.062 1.00 0.00 N ATOM 250 CA GLU A 45 -5.227 -5.071 -0.443 1.00 0.00 C ATOM 251 C GLU A 45 -3.895 -5.715 -0.815 1.00 0.00 C ATOM 252 O GLU A 45 -3.565 -6.802 -0.340 1.00 0.00 O ATOM 253 CB GLU A 45 -6.204 -5.176 -1.616 1.00 0.00 C ATOM 254 CG GLU A 45 -7.641 -5.427 -1.191 1.00 0.00 C ATOM 255 CD GLU A 45 -8.589 -5.524 -2.370 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.437 -4.728 -3.321 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.483 -6.395 -2.342 1.00 0.00 O ATOM 0 H GLU A 45 -5.596 -3.011 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.642 -5.603 0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.162 -4.255 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.883 -5.983 -2.274 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.689 -6.350 -0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.967 -4.622 -0.532 1.00 0.00 H new ATOM 264 N SER A 46 -3.133 -5.034 -1.664 1.00 0.00 N ATOM 265 CA SER A 46 -1.835 -5.535 -2.098 1.00 0.00 C ATOM 266 C SER A 46 -0.765 -5.251 -1.047 1.00 0.00 C ATOM 267 O SER A 46 0.228 -5.972 -0.947 1.00 0.00 O ATOM 268 CB SER A 46 -1.439 -4.898 -3.431 1.00 0.00 C ATOM 269 OG SER A 46 -2.283 -5.341 -4.480 1.00 0.00 O ATOM 0 H SER A 46 -3.393 -4.133 -2.065 1.00 0.00 H new ATOM 0 HA SER A 46 -1.914 -6.614 -2.229 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.495 -3.812 -3.349 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.404 -5.148 -3.663 1.00 0.00 H new ATOM 0 HG SER A 46 -1.749 -5.492 -5.288 1.00 0.00 H new ATOM 275 N ALA A 47 -0.975 -4.196 -0.265 1.00 0.00 N ATOM 276 CA ALA A 47 -0.030 -3.816 0.778 1.00 0.00 C ATOM 277 C ALA A 47 -0.075 -4.797 1.946 1.00 0.00 C ATOM 278 O ALA A 47 -0.449 -4.435 3.061 1.00 0.00 O ATOM 279 CB ALA A 47 -0.317 -2.402 1.260 1.00 0.00 C ATOM 0 H ALA A 47 -1.792 -3.589 -0.335 1.00 0.00 H new ATOM 0 HA ALA A 47 0.973 -3.846 0.353 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.396 -2.131 2.039 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.224 -1.707 0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.329 -2.353 1.662 1.00 0.00 H new ATOM 285 N GLY A 48 0.308 -6.042 1.681 1.00 0.00 N ATOM 286 CA GLY A 48 0.306 -7.056 2.719 1.00 0.00 C ATOM 287 C GLY A 48 0.625 -8.438 2.182 1.00 0.00 C ATOM 288 O GLY A 48 -0.226 -9.086 1.574 1.00 0.00 O ATOM 0 H GLY A 48 0.620 -6.367 0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.036 -6.790 3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.671 -7.074 3.203 1.00 0.00 H new ATOM 292 N LEU A 49 1.855 -8.891 2.410 1.00 0.00 N ATOM 293 CA LEU A 49 2.281 -10.208 1.945 1.00 0.00 C ATOM 294 C LEU A 49 1.367 -11.298 2.505 1.00 0.00 C ATOM 295 O LEU A 49 0.932 -11.220 3.653 1.00 0.00 O ATOM 296 CB LEU A 49 3.732 -10.472 2.356 1.00 0.00 C ATOM 297 CG LEU A 49 4.787 -9.970 1.366 1.00 0.00 C ATOM 298 CD1 LEU A 49 4.527 -10.535 -0.022 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.803 -8.450 1.327 1.00 0.00 C ATOM 0 H LEU A 49 2.572 -8.368 2.912 1.00 0.00 H new ATOM 0 HA LEU A 49 2.215 -10.227 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.911 -10.003 3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.865 -11.545 2.493 1.00 0.00 H new ATOM 0 HG LEU A 49 5.765 -10.316 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.286 -10.168 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.566 -11.624 0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.542 -10.219 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.559 -8.112 0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.825 -8.084 1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.037 -8.063 2.319 1.00 0.00 H new ATOM 311 N PRO A 50 1.052 -12.328 1.697 1.00 0.00 N ATOM 312 CA PRO A 50 0.173 -13.422 2.125 1.00 0.00 C ATOM 313 C PRO A 50 0.673 -14.121 3.393 1.00 0.00 C ATOM 314 O PRO A 50 0.210 -13.817 4.492 1.00 0.00 O ATOM 315 CB PRO A 50 0.164 -14.377 0.921 1.00 0.00 C ATOM 316 CG PRO A 50 0.571 -13.537 -0.240 1.00 0.00 C ATOM 317 CD PRO A 50 1.512 -12.501 0.308 1.00 0.00 C ATOM 0 HA PRO A 50 -0.821 -13.063 2.392 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.855 -15.206 1.070 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.825 -14.810 0.768 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.058 -14.140 -1.006 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.296 -13.069 -0.706 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.548 -12.836 0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.456 -11.569 -0.254 1.00 0.00 H new ATOM 325 N ARG A 51 1.610 -15.057 3.246 1.00 0.00 N ATOM 326 CA ARG A 51 2.144 -15.779 4.396 1.00 0.00 C ATOM 327 C ARG A 51 3.602 -16.173 4.178 1.00 0.00 C ATOM 328 O ARG A 51 4.502 -15.657 4.841 1.00 0.00 O ATOM 329 CB ARG A 51 1.303 -17.027 4.674 1.00 0.00 C ATOM 330 CG ARG A 51 1.181 -17.361 6.152 1.00 0.00 C ATOM 331 CD ARG A 51 2.406 -18.105 6.658 1.00 0.00 C ATOM 332 NE ARG A 51 2.644 -17.866 8.079 1.00 0.00 N ATOM 333 CZ ARG A 51 1.908 -18.397 9.054 1.00 0.00 C ATOM 334 NH1 ARG A 51 0.888 -19.195 8.765 1.00 0.00 N ATOM 335 NH2 ARG A 51 2.194 -18.129 10.320 1.00 0.00 N ATOM 0 H ARG A 51 2.011 -15.330 2.349 1.00 0.00 H new ATOM 0 HA ARG A 51 2.098 -15.113 5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.305 -16.883 4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.745 -17.876 4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.050 -16.442 6.724 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.291 -17.969 6.317 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.277 -19.174 6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.281 -17.794 6.087 1.00 0.00 H new ATOM 0 HE ARG A 51 3.419 -17.257 8.340 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.664 -19.405 7.792 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.328 -19.599 9.516 1.00 0.00 H new ATOM 0 HH21 ARG A 51 2.977 -17.516 10.547 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.631 -18.535 11.067 1.00 0.00 H new ATOM 349 N ASP A 52 3.826 -17.099 3.248 1.00 0.00 N ATOM 350 CA ASP A 52 5.171 -17.576 2.942 1.00 0.00 C ATOM 351 C ASP A 52 6.120 -16.417 2.655 1.00 0.00 C ATOM 352 O ASP A 52 7.293 -16.457 3.024 1.00 0.00 O ATOM 353 CB ASP A 52 5.135 -18.527 1.745 1.00 0.00 C ATOM 354 CG ASP A 52 4.262 -19.741 1.997 1.00 0.00 C ATOM 355 OD1 ASP A 52 3.035 -19.568 2.151 1.00 0.00 O ATOM 356 OD2 ASP A 52 4.806 -20.865 2.041 1.00 0.00 O ATOM 0 H ASP A 52 3.090 -17.535 2.692 1.00 0.00 H new ATOM 0 HA ASP A 52 5.542 -18.110 3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.765 -17.992 0.870 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.149 -18.854 1.513 1.00 0.00 H new ATOM 361 N GLN A 53 5.606 -15.387 1.993 1.00 0.00 N ATOM 362 CA GLN A 53 6.411 -14.220 1.658 1.00 0.00 C ATOM 363 C GLN A 53 6.973 -13.565 2.915 1.00 0.00 C ATOM 364 O GLN A 53 8.123 -13.126 2.937 1.00 0.00 O ATOM 365 CB GLN A 53 5.580 -13.209 0.868 1.00 0.00 C ATOM 366 CG GLN A 53 5.697 -13.372 -0.639 1.00 0.00 C ATOM 367 CD GLN A 53 4.348 -13.452 -1.327 1.00 0.00 C ATOM 368 OE1 GLN A 53 3.599 -14.411 -1.141 1.00 0.00 O ATOM 369 NE2 GLN A 53 4.031 -12.441 -2.128 1.00 0.00 N ATOM 0 H GLN A 53 4.637 -15.337 1.678 1.00 0.00 H new ATOM 0 HA GLN A 53 7.246 -14.553 1.041 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.533 -13.307 1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.892 -12.201 1.142 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.259 -12.533 -1.048 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.266 -14.275 -0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.682 -11.666 -2.253 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.136 -12.440 -2.618 1.00 0.00 H new ATOM 378 N HIS A 54 6.157 -13.503 3.963 1.00 0.00 N ATOM 379 CA HIS A 54 6.579 -12.902 5.222 1.00 0.00 C ATOM 380 C HIS A 54 7.618 -13.773 5.919 1.00 0.00 C ATOM 381 O HIS A 54 8.633 -13.276 6.408 1.00 0.00 O ATOM 382 CB HIS A 54 5.377 -12.690 6.145 1.00 0.00 C ATOM 383 CG HIS A 54 5.731 -12.013 7.433 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.592 -12.562 8.360 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.345 -10.819 7.943 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.721 -11.737 9.383 1.00 0.00 C ATOM 387 NE2 HIS A 54 5.975 -10.672 9.154 1.00 0.00 N ATOM 0 H HIS A 54 5.202 -13.861 3.965 1.00 0.00 H new ATOM 0 HA HIS A 54 7.029 -11.935 4.997 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.628 -12.094 5.623 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.921 -13.656 6.364 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.668 -10.114 7.483 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.332 -11.905 10.257 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.882 -9.869 9.776 1.00 0.00 H new ATOM 396 N GLU A 55 7.357 -15.076 5.963 1.00 0.00 N ATOM 397 CA GLU A 55 8.268 -16.021 6.603 1.00 0.00 C ATOM 398 C GLU A 55 9.682 -15.893 6.042 1.00 0.00 C ATOM 399 O GLU A 55 10.656 -16.250 6.704 1.00 0.00 O ATOM 400 CB GLU A 55 7.762 -17.452 6.416 1.00 0.00 C ATOM 401 CG GLU A 55 6.830 -17.918 7.523 1.00 0.00 C ATOM 402 CD GLU A 55 6.124 -19.216 7.182 1.00 0.00 C ATOM 403 OE1 GLU A 55 5.169 -19.178 6.378 1.00 0.00 O ATOM 404 OE2 GLU A 55 6.526 -20.269 7.719 1.00 0.00 O ATOM 0 H GLU A 55 6.521 -15.503 5.563 1.00 0.00 H new ATOM 0 HA GLU A 55 8.301 -15.786 7.667 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.242 -17.522 5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.617 -18.127 6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.401 -18.050 8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.087 -17.145 7.717 1.00 0.00 H new ATOM 411 N PHE A 56 9.789 -15.384 4.819 1.00 0.00 N ATOM 412 CA PHE A 56 11.086 -15.215 4.175 1.00 0.00 C ATOM 413 C PHE A 56 11.618 -13.798 4.385 1.00 0.00 C ATOM 414 O PHE A 56 12.701 -13.607 4.933 1.00 0.00 O ATOM 415 CB PHE A 56 10.973 -15.532 2.675 1.00 0.00 C ATOM 416 CG PHE A 56 11.943 -14.778 1.804 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.306 -15.024 1.881 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.490 -13.822 0.909 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.195 -14.331 1.082 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.375 -13.127 0.107 1.00 0.00 C ATOM 421 CZ PHE A 56 13.729 -13.382 0.194 1.00 0.00 C ATOM 0 H PHE A 56 8.995 -15.082 4.255 1.00 0.00 H new ATOM 0 HA PHE A 56 11.792 -15.910 4.630 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.128 -16.601 2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.958 -15.309 2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.676 -15.766 2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.432 -13.618 0.837 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.254 -14.532 1.152 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.008 -12.385 -0.587 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.423 -12.840 -0.432 1.00 0.00 H new ATOM 431 N VAL A 57 10.853 -12.811 3.932 1.00 0.00 N ATOM 432 CA VAL A 57 11.250 -11.412 4.054 1.00 0.00 C ATOM 433 C VAL A 57 11.417 -10.976 5.510 1.00 0.00 C ATOM 434 O VAL A 57 11.962 -9.905 5.777 1.00 0.00 O ATOM 435 CB VAL A 57 10.228 -10.483 3.368 1.00 0.00 C ATOM 436 CG1 VAL A 57 8.859 -10.615 4.020 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.708 -9.037 3.402 1.00 0.00 C ATOM 0 H VAL A 57 9.952 -12.954 3.476 1.00 0.00 H new ATOM 0 HA VAL A 57 12.217 -11.329 3.558 1.00 0.00 H new ATOM 0 HB VAL A 57 10.137 -10.786 2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.153 -9.951 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.512 -11.645 3.933 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.930 -10.344 5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.973 -8.398 2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.833 -8.719 4.437 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.662 -8.958 2.880 1.00 0.00 H new ATOM 447 N SER A 58 10.942 -11.788 6.451 1.00 0.00 N ATOM 448 CA SER A 58 11.046 -11.442 7.866 1.00 0.00 C ATOM 449 C SER A 58 11.900 -12.445 8.641 1.00 0.00 C ATOM 450 O SER A 58 12.592 -12.076 9.589 1.00 0.00 O ATOM 451 CB SER A 58 9.652 -11.361 8.491 1.00 0.00 C ATOM 452 OG SER A 58 9.655 -10.529 9.638 1.00 0.00 O ATOM 0 H SER A 58 10.486 -12.681 6.263 1.00 0.00 H new ATOM 0 HA SER A 58 11.536 -10.470 7.928 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.944 -10.974 7.759 1.00 0.00 H new ATOM 0 HB3 SER A 58 9.314 -12.361 8.764 1.00 0.00 H new ATOM 0 HG SER A 58 8.839 -9.986 9.650 1.00 0.00 H new ATOM 458 N SER A 59 11.835 -13.714 8.250 1.00 0.00 N ATOM 459 CA SER A 59 12.594 -14.757 8.936 1.00 0.00 C ATOM 460 C SER A 59 13.827 -15.197 8.143 1.00 0.00 C ATOM 461 O SER A 59 14.662 -15.942 8.656 1.00 0.00 O ATOM 462 CB SER A 59 11.697 -15.966 9.207 1.00 0.00 C ATOM 463 OG SER A 59 11.906 -16.474 10.514 1.00 0.00 O ATOM 0 H SER A 59 11.270 -14.044 7.468 1.00 0.00 H new ATOM 0 HA SER A 59 12.943 -14.334 9.878 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.652 -15.681 9.087 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.901 -16.746 8.473 1.00 0.00 H new ATOM 0 HG SER A 59 11.320 -17.245 10.663 1.00 0.00 H new ATOM 469 N GLN A 60 13.940 -14.751 6.895 1.00 0.00 N ATOM 470 CA GLN A 60 15.078 -15.129 6.060 1.00 0.00 C ATOM 471 C GLN A 60 15.823 -13.906 5.530 1.00 0.00 C ATOM 472 O GLN A 60 16.974 -13.664 5.895 1.00 0.00 O ATOM 473 CB GLN A 60 14.607 -15.993 4.890 1.00 0.00 C ATOM 474 CG GLN A 60 14.344 -17.441 5.270 1.00 0.00 C ATOM 475 CD GLN A 60 15.620 -18.244 5.427 1.00 0.00 C ATOM 476 OE1 GLN A 60 16.259 -18.615 4.442 1.00 0.00 O ATOM 477 NE2 GLN A 60 15.999 -18.516 6.670 1.00 0.00 N ATOM 0 H GLN A 60 13.266 -14.134 6.442 1.00 0.00 H new ATOM 0 HA GLN A 60 15.768 -15.698 6.683 1.00 0.00 H new ATOM 0 HB2 GLN A 60 13.695 -15.563 4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.359 -15.964 4.102 1.00 0.00 H new ATOM 0 HG2 GLN A 60 13.783 -17.471 6.204 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.719 -17.905 4.507 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.439 -18.189 7.457 1.00 0.00 H new ATOM 0 HE22 GLN A 60 16.850 -19.052 6.838 1.00 0.00 H new ATOM 486 N ALA A 61 15.163 -13.149 4.657 1.00 0.00 N ATOM 487 CA ALA A 61 15.753 -11.955 4.054 1.00 0.00 C ATOM 488 C ALA A 61 16.576 -11.148 5.059 1.00 0.00 C ATOM 489 O ALA A 61 16.301 -11.167 6.259 1.00 0.00 O ATOM 490 CB ALA A 61 14.663 -11.085 3.447 1.00 0.00 C ATOM 0 H ALA A 61 14.210 -13.343 4.349 1.00 0.00 H new ATOM 0 HA ALA A 61 16.434 -12.286 3.270 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.112 -10.198 3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.133 -11.649 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 61 13.962 -10.784 4.226 1.00 0.00 H new ATOM 496 N PRO A 62 17.603 -10.427 4.574 1.00 0.00 N ATOM 497 CA PRO A 62 18.475 -9.610 5.425 1.00 0.00 C ATOM 498 C PRO A 62 17.766 -8.377 5.976 1.00 0.00 C ATOM 499 O PRO A 62 16.743 -7.945 5.445 1.00 0.00 O ATOM 500 CB PRO A 62 19.607 -9.197 4.483 1.00 0.00 C ATOM 501 CG PRO A 62 19.000 -9.237 3.124 1.00 0.00 C ATOM 502 CD PRO A 62 17.995 -10.355 3.153 1.00 0.00 C ATOM 0 HA PRO A 62 18.811 -10.159 6.304 1.00 0.00 H new ATOM 0 HB2 PRO A 62 19.978 -8.200 4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.454 -9.879 4.559 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.521 -8.288 2.882 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.759 -9.414 2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.140 -10.143 2.511 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.428 -11.294 2.808 1.00 0.00 H new ATOM 510 N GLN A 63 18.319 -7.814 7.049 1.00 0.00 N ATOM 511 CA GLN A 63 17.746 -6.628 7.682 1.00 0.00 C ATOM 512 C GLN A 63 17.393 -5.562 6.646 1.00 0.00 C ATOM 513 O GLN A 63 16.349 -4.916 6.739 1.00 0.00 O ATOM 514 CB GLN A 63 18.723 -6.052 8.707 1.00 0.00 C ATOM 515 CG GLN A 63 18.120 -4.963 9.579 1.00 0.00 C ATOM 516 CD GLN A 63 18.511 -5.100 11.038 1.00 0.00 C ATOM 517 OE1 GLN A 63 19.687 -5.257 11.365 1.00 0.00 O ATOM 518 NE2 GLN A 63 17.523 -5.042 11.924 1.00 0.00 N ATOM 0 H GLN A 63 19.166 -8.162 7.499 1.00 0.00 H new ATOM 0 HA GLN A 63 16.829 -6.930 8.187 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.084 -6.858 9.345 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.589 -5.648 8.183 1.00 0.00 H new ATOM 0 HG2 GLN A 63 18.441 -3.989 9.211 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.034 -4.994 9.493 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.562 -4.911 11.608 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.725 -5.129 12.920 1.00 0.00 H new ATOM 527 N SER A 64 18.267 -5.386 5.659 1.00 0.00 N ATOM 528 CA SER A 64 18.043 -4.401 4.606 1.00 0.00 C ATOM 529 C SER A 64 16.708 -4.647 3.911 1.00 0.00 C ATOM 530 O SER A 64 16.037 -3.710 3.476 1.00 0.00 O ATOM 531 CB SER A 64 19.180 -4.449 3.583 1.00 0.00 C ATOM 532 OG SER A 64 20.206 -3.530 3.916 1.00 0.00 O ATOM 0 H SER A 64 19.136 -5.912 5.567 1.00 0.00 H new ATOM 0 HA SER A 64 18.019 -3.412 5.065 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.591 -5.457 3.539 1.00 0.00 H new ATOM 0 HB3 SER A 64 18.791 -4.220 2.591 1.00 0.00 H new ATOM 0 HG SER A 64 20.921 -3.582 3.248 1.00 0.00 H new ATOM 538 N LEU A 65 16.328 -5.915 3.815 1.00 0.00 N ATOM 539 CA LEU A 65 15.073 -6.292 3.178 1.00 0.00 C ATOM 540 C LEU A 65 13.907 -6.158 4.152 1.00 0.00 C ATOM 541 O LEU A 65 12.772 -5.906 3.748 1.00 0.00 O ATOM 542 CB LEU A 65 15.157 -7.729 2.657 1.00 0.00 C ATOM 543 CG LEU A 65 14.409 -7.991 1.350 1.00 0.00 C ATOM 544 CD1 LEU A 65 12.950 -7.588 1.483 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.069 -7.246 0.199 1.00 0.00 C ATOM 0 H LEU A 65 16.872 -6.701 4.171 1.00 0.00 H new ATOM 0 HA LEU A 65 14.900 -5.617 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.207 -7.986 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.766 -8.400 3.422 1.00 0.00 H new ATOM 0 HG LEU A 65 14.452 -9.059 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.432 -7.781 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.484 -8.167 2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.886 -6.526 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.523 -7.444 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 65 15.058 -6.176 0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.100 -7.584 0.090 1.00 0.00 H new ATOM 557 N ARG A 66 14.194 -6.332 5.439 1.00 0.00 N ATOM 558 CA ARG A 66 13.170 -6.236 6.472 1.00 0.00 C ATOM 559 C ARG A 66 12.814 -4.782 6.772 1.00 0.00 C ATOM 560 O ARG A 66 11.643 -4.404 6.745 1.00 0.00 O ATOM 561 CB ARG A 66 13.642 -6.930 7.751 1.00 0.00 C ATOM 562 CG ARG A 66 13.996 -8.394 7.551 1.00 0.00 C ATOM 563 CD ARG A 66 14.778 -8.943 8.734 1.00 0.00 C ATOM 564 NE ARG A 66 15.310 -10.277 8.466 1.00 0.00 N ATOM 565 CZ ARG A 66 16.167 -10.907 9.266 1.00 0.00 C ATOM 566 NH1 ARG A 66 16.589 -10.331 10.384 1.00 0.00 N ATOM 567 NH2 ARG A 66 16.604 -12.118 8.946 1.00 0.00 N ATOM 0 H ARG A 66 15.129 -6.540 5.791 1.00 0.00 H new ATOM 0 HA ARG A 66 12.275 -6.734 6.099 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.514 -6.404 8.140 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.860 -6.853 8.506 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.084 -8.975 7.415 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.584 -8.506 6.640 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.599 -8.266 8.972 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.131 -8.980 9.611 1.00 0.00 H new ATOM 0 HE ARG A 66 15.007 -10.753 7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 66 16.257 -9.400 10.635 1.00 0.00 H new ATOM 0 HH12 ARG A 66 17.246 -10.819 10.993 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.283 -12.566 8.087 1.00 0.00 H new ATOM 0 HH22 ARG A 66 17.261 -12.602 9.559 1.00 0.00 H new ATOM 581 N ASN A 67 13.825 -3.970 7.067 1.00 0.00 N ATOM 582 CA ASN A 67 13.601 -2.563 7.379 1.00 0.00 C ATOM 583 C ASN A 67 12.932 -1.842 6.213 1.00 0.00 C ATOM 584 O ASN A 67 12.096 -0.961 6.416 1.00 0.00 O ATOM 585 CB ASN A 67 14.917 -1.872 7.742 1.00 0.00 C ATOM 586 CG ASN A 67 16.033 -2.191 6.768 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.785 -2.586 5.630 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.272 -2.020 7.214 1.00 0.00 N ATOM 0 H ASN A 67 14.802 -4.261 7.096 1.00 0.00 H new ATOM 0 HA ASN A 67 12.933 -2.516 8.239 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.761 -0.794 7.769 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.218 -2.176 8.745 1.00 0.00 H new ATOM 0 HD21 ASN A 67 18.065 -2.218 6.604 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.430 -1.690 8.166 1.00 0.00 H new ATOM 595 N ARG A 68 13.298 -2.219 4.991 1.00 0.00 N ATOM 596 CA ARG A 68 12.721 -1.601 3.802 1.00 0.00 C ATOM 597 C ARG A 68 11.281 -2.067 3.589 1.00 0.00 C ATOM 598 O ARG A 68 10.477 -1.367 2.973 1.00 0.00 O ATOM 599 CB ARG A 68 13.569 -1.919 2.567 1.00 0.00 C ATOM 600 CG ARG A 68 13.481 -3.369 2.116 1.00 0.00 C ATOM 601 CD ARG A 68 14.234 -3.594 0.814 1.00 0.00 C ATOM 602 NE ARG A 68 13.409 -4.266 -0.187 1.00 0.00 N ATOM 603 CZ ARG A 68 12.514 -3.643 -0.950 1.00 0.00 C ATOM 604 NH1 ARG A 68 12.325 -2.335 -0.832 1.00 0.00 N ATOM 605 NH2 ARG A 68 11.805 -4.330 -1.835 1.00 0.00 N ATOM 0 H ARG A 68 13.988 -2.945 4.799 1.00 0.00 H new ATOM 0 HA ARG A 68 12.713 -0.522 3.953 1.00 0.00 H new ATOM 0 HB2 ARG A 68 13.255 -1.274 1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.610 -1.678 2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.890 -4.018 2.891 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.435 -3.648 1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.572 -2.635 0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.125 -4.191 1.009 1.00 0.00 H new ATOM 0 HE ARG A 68 13.526 -5.272 -0.308 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.867 -1.801 -0.153 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.637 -1.864 -1.420 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.946 -5.336 -1.931 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.119 -3.853 -2.420 1.00 0.00 H new ATOM 619 N TYR A 69 10.962 -3.252 4.105 1.00 0.00 N ATOM 620 CA TYR A 69 9.620 -3.810 3.975 1.00 0.00 C ATOM 621 C TYR A 69 8.585 -2.883 4.607 1.00 0.00 C ATOM 622 O TYR A 69 7.668 -2.408 3.936 1.00 0.00 O ATOM 623 CB TYR A 69 9.559 -5.194 4.630 1.00 0.00 C ATOM 624 CG TYR A 69 8.189 -5.839 4.593 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.150 -5.353 5.378 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.937 -6.937 3.779 1.00 0.00 C ATOM 627 CE1 TYR A 69 5.900 -5.942 5.352 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.689 -7.530 3.747 1.00 0.00 C ATOM 629 CZ TYR A 69 5.675 -7.029 4.535 1.00 0.00 C ATOM 630 OH TYR A 69 4.431 -7.618 4.506 1.00 0.00 O ATOM 0 H TYR A 69 11.616 -3.844 4.617 1.00 0.00 H new ATOM 0 HA TYR A 69 9.390 -3.909 2.914 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.271 -5.851 4.131 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.879 -5.107 5.668 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.322 -4.501 6.019 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.729 -7.333 3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.104 -5.552 5.969 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.509 -8.382 3.108 1.00 0.00 H new ATOM 0 HH TYR A 69 3.831 -7.089 3.940 1.00 0.00 H new ATOM 640 N ASN A 70 8.737 -2.634 5.904 1.00 0.00 N ATOM 641 CA ASN A 70 7.816 -1.769 6.633 1.00 0.00 C ATOM 642 C ASN A 70 7.936 -0.319 6.168 1.00 0.00 C ATOM 643 O ASN A 70 6.977 0.448 6.247 1.00 0.00 O ATOM 644 CB ASN A 70 8.084 -1.860 8.137 1.00 0.00 C ATOM 645 CG ASN A 70 6.998 -2.621 8.873 1.00 0.00 C ATOM 646 OD1 ASN A 70 6.136 -2.027 9.519 1.00 0.00 O ATOM 647 ND2 ASN A 70 7.036 -3.946 8.778 1.00 0.00 N ATOM 0 H ASN A 70 9.491 -3.020 6.473 1.00 0.00 H new ATOM 0 HA ASN A 70 6.801 -2.109 6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.043 -2.350 8.303 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.163 -0.855 8.551 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.332 -4.512 9.252 1.00 0.00 H new ATOM 0 HD22 ASN A 70 7.769 -4.397 8.231 1.00 0.00 H new ATOM 654 N ASN A 71 9.119 0.051 5.686 1.00 0.00 N ATOM 655 CA ASN A 71 9.360 1.411 5.213 1.00 0.00 C ATOM 656 C ASN A 71 8.357 1.803 4.133 1.00 0.00 C ATOM 657 O ASN A 71 7.530 2.695 4.333 1.00 0.00 O ATOM 658 CB ASN A 71 10.785 1.539 4.670 1.00 0.00 C ATOM 659 CG ASN A 71 11.398 2.893 4.969 1.00 0.00 C ATOM 660 OD1 ASN A 71 12.016 3.089 6.015 1.00 0.00 O ATOM 661 ND2 ASN A 71 11.228 3.836 4.050 1.00 0.00 N ATOM 0 H ASN A 71 9.925 -0.570 5.613 1.00 0.00 H new ATOM 0 HA ASN A 71 9.236 2.087 6.059 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.408 0.757 5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.776 1.377 3.592 1.00 0.00 H new ATOM 0 HD21 ASN A 71 11.617 4.767 4.197 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.708 3.629 3.197 1.00 0.00 H new ATOM 668 N LEU A 72 8.434 1.134 2.986 1.00 0.00 N ATOM 669 CA LEU A 72 7.533 1.415 1.873 1.00 0.00 C ATOM 670 C LEU A 72 6.075 1.361 2.323 1.00 0.00 C ATOM 671 O LEU A 72 5.235 2.118 1.835 1.00 0.00 O ATOM 672 CB LEU A 72 7.767 0.421 0.733 1.00 0.00 C ATOM 673 CG LEU A 72 7.692 -1.055 1.129 1.00 0.00 C ATOM 674 CD1 LEU A 72 6.243 -1.497 1.267 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.420 -1.918 0.108 1.00 0.00 C ATOM 0 H LEU A 72 9.111 0.393 2.803 1.00 0.00 H new ATOM 0 HA LEU A 72 7.745 2.422 1.514 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.030 0.609 -0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.748 0.615 0.299 1.00 0.00 H new ATOM 0 HG LEU A 72 8.182 -1.178 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.209 -2.549 1.549 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.752 -0.899 2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.728 -1.359 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.357 -2.965 0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.959 -1.790 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.467 -1.618 0.058 1.00 0.00 H new ATOM 687 N TYR A 73 5.781 0.465 3.259 1.00 0.00 N ATOM 688 CA TYR A 73 4.425 0.321 3.770 1.00 0.00 C ATOM 689 C TYR A 73 4.072 1.475 4.702 1.00 0.00 C ATOM 690 O TYR A 73 2.917 1.895 4.774 1.00 0.00 O ATOM 691 CB TYR A 73 4.262 -1.010 4.505 1.00 0.00 C ATOM 692 CG TYR A 73 2.822 -1.350 4.819 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.814 -1.104 3.894 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.469 -1.914 6.039 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.497 -1.409 4.175 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.153 -2.223 6.327 1.00 0.00 C ATOM 697 CZ TYR A 73 0.171 -1.969 5.393 1.00 0.00 C ATOM 698 OH TYR A 73 -1.140 -2.274 5.677 1.00 0.00 O ATOM 0 H TYR A 73 6.461 -0.170 3.677 1.00 0.00 H new ATOM 0 HA TYR A 73 3.744 0.338 2.919 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.692 -1.807 3.898 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.830 -0.975 5.434 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.065 -0.667 2.939 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.235 -2.114 6.774 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.274 -1.210 3.445 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.895 -2.662 7.280 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.198 -2.662 6.575 1.00 0.00 H new ATOM 708 N SER A 74 5.074 1.987 5.411 1.00 0.00 N ATOM 709 CA SER A 74 4.866 3.098 6.333 1.00 0.00 C ATOM 710 C SER A 74 4.178 4.259 5.625 1.00 0.00 C ATOM 711 O SER A 74 3.328 4.939 6.200 1.00 0.00 O ATOM 712 CB SER A 74 6.201 3.560 6.921 1.00 0.00 C ATOM 713 OG SER A 74 6.001 4.474 7.985 1.00 0.00 O ATOM 0 H SER A 74 6.036 1.651 5.365 1.00 0.00 H new ATOM 0 HA SER A 74 4.224 2.754 7.144 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.762 2.697 7.280 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.802 4.030 6.142 1.00 0.00 H new ATOM 0 HG SER A 74 6.869 4.753 8.344 1.00 0.00 H new ATOM 719 N HIS A 75 4.549 4.473 4.367 1.00 0.00 N ATOM 720 CA HIS A 75 3.967 5.544 3.569 1.00 0.00 C ATOM 721 C HIS A 75 2.604 5.131 3.022 1.00 0.00 C ATOM 722 O HIS A 75 1.733 5.972 2.797 1.00 0.00 O ATOM 723 CB HIS A 75 4.902 5.916 2.417 1.00 0.00 C ATOM 724 CG HIS A 75 6.073 6.747 2.841 1.00 0.00 C ATOM 725 ND1 HIS A 75 6.609 6.700 4.111 1.00 0.00 N ATOM 726 CD2 HIS A 75 6.815 7.649 2.156 1.00 0.00 C ATOM 727 CE1 HIS A 75 7.627 7.538 4.189 1.00 0.00 C ATOM 728 NE2 HIS A 75 7.773 8.126 3.016 1.00 0.00 N ATOM 0 H HIS A 75 5.251 3.918 3.878 1.00 0.00 H new ATOM 0 HA HIS A 75 3.833 6.414 4.212 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.266 5.003 1.946 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.335 6.460 1.661 1.00 0.00 H new ATOM 0 HD2 HIS A 75 6.679 7.939 1.125 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.236 7.712 5.064 1.00 0.00 H new ATOM 0 HE2 HIS A 75 8.482 8.822 2.786 1.00 0.00 H new ATOM 737 N THR A 76 2.424 3.830 2.808 1.00 0.00 N ATOM 738 CA THR A 76 1.166 3.308 2.287 1.00 0.00 C ATOM 739 C THR A 76 0.059 3.388 3.336 1.00 0.00 C ATOM 740 O THR A 76 -1.093 3.679 3.015 1.00 0.00 O ATOM 741 CB THR A 76 1.339 1.859 1.833 1.00 0.00 C ATOM 742 OG1 THR A 76 2.405 1.746 0.907 1.00 0.00 O ATOM 743 CG2 THR A 76 0.099 1.287 1.179 1.00 0.00 C ATOM 0 H THR A 76 3.133 3.119 2.988 1.00 0.00 H new ATOM 0 HA THR A 76 0.879 3.922 1.434 1.00 0.00 H new ATOM 0 HB THR A 76 1.546 1.294 2.742 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.256 1.896 1.368 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.288 0.256 0.880 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.730 1.314 1.886 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.155 1.879 0.300 1.00 0.00 H new ATOM 751 N GLN A 77 0.415 3.121 4.587 1.00 0.00 N ATOM 752 CA GLN A 77 -0.550 3.157 5.681 1.00 0.00 C ATOM 753 C GLN A 77 -1.047 4.578 5.932 1.00 0.00 C ATOM 754 O GLN A 77 -2.245 4.806 6.095 1.00 0.00 O ATOM 755 CB GLN A 77 0.076 2.593 6.957 1.00 0.00 C ATOM 756 CG GLN A 77 0.371 1.104 6.884 1.00 0.00 C ATOM 757 CD GLN A 77 1.072 0.588 8.126 1.00 0.00 C ATOM 758 OE1 GLN A 77 2.358 0.285 7.996 1.00 0.00 O flip ATOM 759 NE2 GLN A 77 0.465 0.464 9.189 1.00 0.00 N flip ATOM 0 H GLN A 77 1.364 2.877 4.870 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.403 2.541 5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.002 3.129 7.164 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -0.595 2.781 7.795 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -0.562 0.559 6.745 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.991 0.902 6.011 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -0.524 0.709 9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 77 0.950 0.116 10.016 1.00 0.00 H new ATOM 768 N ARG A 78 -0.118 5.527 5.971 1.00 0.00 N ATOM 769 CA ARG A 78 -0.463 6.925 6.212 1.00 0.00 C ATOM 770 C ARG A 78 -1.188 7.538 5.016 1.00 0.00 C ATOM 771 O ARG A 78 -1.883 8.544 5.154 1.00 0.00 O ATOM 772 CB ARG A 78 0.797 7.734 6.526 1.00 0.00 C ATOM 773 CG ARG A 78 1.848 7.677 5.429 1.00 0.00 C ATOM 774 CD ARG A 78 1.714 8.846 4.467 1.00 0.00 C ATOM 775 NE ARG A 78 2.023 10.122 5.109 1.00 0.00 N ATOM 776 CZ ARG A 78 3.261 10.563 5.324 1.00 0.00 C ATOM 777 NH1 ARG A 78 4.306 9.835 4.951 1.00 0.00 N ATOM 778 NH2 ARG A 78 3.453 11.735 5.913 1.00 0.00 N ATOM 0 H ARG A 78 0.879 5.355 5.839 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.137 6.956 7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.518 8.774 6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.233 7.365 7.454 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.842 7.684 5.876 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.752 6.740 4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.382 8.696 3.619 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.699 8.876 4.072 1.00 0.00 H new ATOM 0 HE ARG A 78 1.245 10.709 5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.163 8.933 4.497 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.252 10.178 5.118 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.653 12.298 6.201 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.401 12.074 6.078 1.00 0.00 H new ATOM 792 N THR A 79 -1.022 6.934 3.843 1.00 0.00 N ATOM 793 CA THR A 79 -1.662 7.437 2.632 1.00 0.00 C ATOM 794 C THR A 79 -3.131 7.027 2.570 1.00 0.00 C ATOM 795 O THR A 79 -4.002 7.855 2.304 1.00 0.00 O ATOM 796 CB THR A 79 -0.926 6.933 1.390 1.00 0.00 C ATOM 797 OG1 THR A 79 -0.604 5.560 1.518 1.00 0.00 O ATOM 798 CG2 THR A 79 0.359 7.682 1.113 1.00 0.00 C ATOM 0 H THR A 79 -0.452 6.099 3.705 1.00 0.00 H new ATOM 0 HA THR A 79 -1.613 8.526 2.658 1.00 0.00 H new ATOM 0 HB THR A 79 -1.613 7.100 0.560 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.201 5.144 2.174 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.832 7.275 0.219 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.138 8.738 0.958 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.034 7.573 1.962 1.00 0.00 H new ATOM 806 N LEU A 80 -3.402 5.747 2.813 1.00 0.00 N ATOM 807 CA LEU A 80 -4.771 5.239 2.779 1.00 0.00 C ATOM 808 C LEU A 80 -5.671 6.029 3.725 1.00 0.00 C ATOM 809 O LEU A 80 -6.849 6.244 3.441 1.00 0.00 O ATOM 810 CB LEU A 80 -4.804 3.755 3.154 1.00 0.00 C ATOM 811 CG LEU A 80 -4.017 2.826 2.225 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.429 1.663 3.010 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.909 2.320 1.100 1.00 0.00 C ATOM 0 H LEU A 80 -2.696 5.045 3.035 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.144 5.358 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.414 3.644 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.843 3.426 3.175 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.196 3.390 1.783 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.873 1.013 2.335 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.759 2.045 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.234 1.097 3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.335 1.661 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.750 1.770 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.282 3.166 0.523 1.00 0.00 H new ATOM 825 N ASP A 81 -5.107 6.460 4.850 1.00 0.00 N ATOM 826 CA ASP A 81 -5.859 7.228 5.837 1.00 0.00 C ATOM 827 C ASP A 81 -6.442 8.491 5.212 1.00 0.00 C ATOM 828 O ASP A 81 -7.531 8.933 5.578 1.00 0.00 O ATOM 829 CB ASP A 81 -4.961 7.597 7.019 1.00 0.00 C ATOM 830 CG ASP A 81 -4.963 6.535 8.101 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.056 6.034 8.438 1.00 0.00 O ATOM 832 OD2 ASP A 81 -3.871 6.203 8.609 1.00 0.00 O ATOM 0 H ASP A 81 -4.133 6.291 5.100 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.681 6.608 6.195 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.942 7.748 6.664 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.294 8.544 7.443 1.00 0.00 H new ATOM 837 N MET A 82 -5.710 9.066 4.263 1.00 0.00 N ATOM 838 CA MET A 82 -6.152 10.276 3.581 1.00 0.00 C ATOM 839 C MET A 82 -7.296 9.969 2.622 1.00 0.00 C ATOM 840 O MET A 82 -8.171 10.804 2.394 1.00 0.00 O ATOM 841 CB MET A 82 -4.987 10.909 2.819 1.00 0.00 C ATOM 842 CG MET A 82 -3.816 11.298 3.707 1.00 0.00 C ATOM 843 SD MET A 82 -2.869 12.681 3.041 1.00 0.00 S ATOM 844 CE MET A 82 -1.552 11.812 2.192 1.00 0.00 C ATOM 0 H MET A 82 -4.806 8.712 3.949 1.00 0.00 H new ATOM 0 HA MET A 82 -6.510 10.980 4.332 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.639 10.210 2.059 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.345 11.796 2.296 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.188 11.561 4.697 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.158 10.438 3.831 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.881 12.534 1.727 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.995 11.207 2.907 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.978 11.166 1.424 1.00 0.00 H new ATOM 854 N ALA A 83 -7.285 8.763 2.064 1.00 0.00 N ATOM 855 CA ALA A 83 -8.322 8.343 1.132 1.00 0.00 C ATOM 856 C ALA A 83 -9.667 8.208 1.836 1.00 0.00 C ATOM 857 O ALA A 83 -10.624 8.908 1.506 1.00 0.00 O ATOM 858 CB ALA A 83 -7.936 7.028 0.471 1.00 0.00 C ATOM 0 H ALA A 83 -6.568 8.060 2.242 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.418 9.109 0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -8.720 6.726 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.000 7.155 -0.072 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.811 6.260 1.234 1.00 0.00 H new ATOM 864 N ASP A 84 -9.730 7.305 2.809 1.00 0.00 N ATOM 865 CA ASP A 84 -10.958 7.079 3.563 1.00 0.00 C ATOM 866 C ASP A 84 -11.113 8.111 4.677 1.00 0.00 C ATOM 867 O ASP A 84 -11.232 7.759 5.851 1.00 0.00 O ATOM 868 CB ASP A 84 -10.965 5.666 4.151 1.00 0.00 C ATOM 869 CG ASP A 84 -12.364 5.090 4.255 1.00 0.00 C ATOM 870 OD1 ASP A 84 -13.327 5.881 4.329 1.00 0.00 O ATOM 871 OD2 ASP A 84 -12.495 3.848 4.262 1.00 0.00 O ATOM 0 H ASP A 84 -8.946 6.718 3.094 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.800 7.185 2.879 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.352 5.014 3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.508 5.685 5.141 1.00 0.00 H new ATOM 876 N MET A 85 -11.110 9.386 4.302 1.00 0.00 N ATOM 877 CA MET A 85 -11.251 10.468 5.270 1.00 0.00 C ATOM 878 C MET A 85 -12.328 11.457 4.833 1.00 0.00 C ATOM 879 O MET A 85 -13.208 11.820 5.614 1.00 0.00 O ATOM 880 CB MET A 85 -9.917 11.195 5.448 1.00 0.00 C ATOM 881 CG MET A 85 -9.653 11.638 6.878 1.00 0.00 C ATOM 882 SD MET A 85 -9.130 10.278 7.941 1.00 0.00 S ATOM 883 CE MET A 85 -7.894 11.093 8.949 1.00 0.00 C ATOM 0 H MET A 85 -11.012 9.695 3.335 1.00 0.00 H new ATOM 0 HA MET A 85 -11.552 10.032 6.223 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.109 10.539 5.124 1.00 0.00 H new ATOM 0 HB3 MET A 85 -9.899 12.069 4.796 1.00 0.00 H new ATOM 0 HG2 MET A 85 -8.884 12.411 6.879 1.00 0.00 H new ATOM 0 HG3 MET A 85 -10.557 12.087 7.288 1.00 0.00 H new ATOM 0 HE1 MET A 85 -7.476 10.380 9.659 1.00 0.00 H new ATOM 0 HE2 MET A 85 -7.099 11.477 8.310 1.00 0.00 H new ATOM 0 HE3 MET A 85 -8.354 11.919 9.492 1.00 0.00 H new ATOM 893 N GLN A 86 -12.244 11.896 3.581 1.00 0.00 N ATOM 894 CA GLN A 86 -13.202 12.853 3.034 1.00 0.00 C ATOM 895 C GLN A 86 -14.640 12.347 3.152 1.00 0.00 C ATOM 896 O GLN A 86 -15.584 13.137 3.129 1.00 0.00 O ATOM 897 CB GLN A 86 -12.876 13.146 1.568 1.00 0.00 C ATOM 898 CG GLN A 86 -11.473 13.688 1.354 1.00 0.00 C ATOM 899 CD GLN A 86 -11.298 15.090 1.904 1.00 0.00 C ATOM 900 OE1 GLN A 86 -11.175 15.197 3.222 1.00 0.00 O flip ATOM 901 NE2 GLN A 86 -11.274 16.065 1.153 1.00 0.00 N flip ATOM 0 H GLN A 86 -11.521 11.604 2.924 1.00 0.00 H new ATOM 0 HA GLN A 86 -13.120 13.770 3.618 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.995 12.231 0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -13.598 13.865 1.181 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.754 13.022 1.831 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -11.247 13.689 0.288 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -11.372 15.936 0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -11.156 17.002 1.538 1.00 0.00 H new ATOM 910 N HIS A 87 -14.805 11.033 3.270 1.00 0.00 N ATOM 911 CA HIS A 87 -16.134 10.437 3.384 1.00 0.00 C ATOM 912 C HIS A 87 -16.797 10.812 4.708 1.00 0.00 C ATOM 913 O HIS A 87 -16.946 9.976 5.600 1.00 0.00 O ATOM 914 CB HIS A 87 -16.050 8.916 3.254 1.00 0.00 C ATOM 915 CG HIS A 87 -15.193 8.458 2.115 1.00 0.00 C ATOM 916 ND1 HIS A 87 -13.834 8.261 2.230 1.00 0.00 N ATOM 917 CD2 HIS A 87 -15.509 8.155 0.833 1.00 0.00 C ATOM 918 CE1 HIS A 87 -13.350 7.857 1.069 1.00 0.00 C ATOM 919 NE2 HIS A 87 -14.346 7.784 0.205 1.00 0.00 N ATOM 0 H HIS A 87 -14.038 10.361 3.289 1.00 0.00 H new ATOM 0 HA HIS A 87 -16.746 10.831 2.572 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -15.657 8.502 4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.055 8.515 3.126 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -16.492 8.197 0.388 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -12.316 7.626 0.862 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -14.264 7.498 -0.771 1.00 0.00 H new ATOM 1110 N LEU A 101 -6.336 17.313 -0.512 1.00 0.00 N ATOM 1111 CA LEU A 101 -6.992 17.042 -1.786 1.00 0.00 C ATOM 1112 C LEU A 101 -7.235 15.544 -1.968 1.00 0.00 C ATOM 1113 O LEU A 101 -6.337 14.732 -1.747 1.00 0.00 O ATOM 1114 CB LEU A 101 -6.153 17.577 -2.945 1.00 0.00 C ATOM 1115 CG LEU A 101 -5.681 19.024 -2.790 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -4.253 19.180 -3.291 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -6.616 19.970 -3.530 1.00 0.00 C ATOM 0 HA LEU A 101 -7.956 17.551 -1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.279 16.937 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.736 17.498 -3.862 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.699 19.280 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.937 20.216 -3.172 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.593 18.531 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -4.205 18.905 -4.345 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.266 20.995 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.630 19.713 -4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.623 19.880 -3.122 1.00 0.00 H new ATOM 1129 N PRO A 102 -8.459 15.156 -2.375 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.814 13.746 -2.584 1.00 0.00 C ATOM 1131 C PRO A 102 -7.892 13.045 -3.579 1.00 0.00 C ATOM 1132 O PRO A 102 -7.845 11.816 -3.632 1.00 0.00 O ATOM 1133 CB PRO A 102 -10.241 13.810 -3.137 1.00 0.00 C ATOM 1134 CG PRO A 102 -10.770 15.126 -2.685 1.00 0.00 C ATOM 1135 CD PRO A 102 -9.591 16.056 -2.662 1.00 0.00 C ATOM 0 HA PRO A 102 -8.723 13.171 -1.662 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.247 13.735 -4.224 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.849 12.989 -2.757 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.542 15.490 -3.363 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.224 15.046 -1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.465 16.571 -3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -9.699 16.824 -1.897 1.00 0.00 H new ATOM 1143 N HIS A 103 -7.164 13.828 -4.369 1.00 0.00 N ATOM 1144 CA HIS A 103 -6.251 13.272 -5.361 1.00 0.00 C ATOM 1145 C HIS A 103 -4.854 13.049 -4.774 1.00 0.00 C ATOM 1146 O HIS A 103 -3.995 12.442 -5.413 1.00 0.00 O ATOM 1147 CB HIS A 103 -6.174 14.191 -6.584 1.00 0.00 C ATOM 1148 CG HIS A 103 -5.315 15.404 -6.380 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -3.977 15.524 -6.210 1.00 0.00 N flip ATOM 1150 CD2 HIS A 103 -5.822 16.686 -6.322 1.00 0.00 C flip ATOM 1151 CE1 HIS A 103 -3.704 16.861 -6.054 1.00 0.00 C flip ATOM 1152 NE2 HIS A 103 -4.834 17.540 -6.125 1.00 0.00 N flip ATOM 0 H HIS A 103 -7.188 14.847 -4.342 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.641 12.302 -5.669 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.788 13.622 -7.430 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.181 14.512 -6.849 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -3.298 14.763 -6.200 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.864 16.950 -6.422 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -2.724 17.288 -5.899 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.630 13.545 -3.560 1.00 0.00 N ATOM 1162 CA GLU A 104 -3.336 13.395 -2.902 1.00 0.00 C ATOM 1163 C GLU A 104 -3.111 11.951 -2.468 1.00 0.00 C ATOM 1164 O GLU A 104 -1.983 11.458 -2.474 1.00 0.00 O ATOM 1165 CB GLU A 104 -3.249 14.320 -1.688 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.994 15.775 -2.048 1.00 0.00 C ATOM 1167 CD GLU A 104 -1.652 16.275 -1.549 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -1.190 15.785 -0.497 1.00 0.00 O ATOM 1169 OE2 GLU A 104 -1.064 17.157 -2.209 1.00 0.00 O ATOM 0 H GLU A 104 -5.326 14.053 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.559 13.667 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.178 14.252 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.451 13.971 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.040 15.891 -3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.787 16.393 -1.627 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.192 11.281 -2.087 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.116 9.894 -1.644 1.00 0.00 C ATOM 1178 C ASN A 105 -3.956 8.945 -2.829 1.00 0.00 C ATOM 1179 O ASN A 105 -3.120 8.042 -2.801 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.365 9.523 -0.840 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.648 9.913 -1.545 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.193 9.145 -2.338 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.137 11.114 -1.258 1.00 0.00 N ATOM 0 H ASN A 105 -5.132 11.676 -2.076 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.238 9.794 -1.006 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.368 8.449 -0.655 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.326 10.013 0.133 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -7.998 11.433 -1.701 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.651 11.717 -0.594 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.763 9.151 -3.867 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.706 8.306 -5.056 1.00 0.00 C ATOM 1192 C VAL A 106 -3.306 8.302 -5.666 1.00 0.00 C ATOM 1193 O VAL A 106 -2.820 7.266 -6.119 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.722 8.760 -6.124 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -7.138 8.725 -5.569 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -5.381 10.151 -6.636 1.00 0.00 C ATOM 0 H VAL A 106 -5.462 9.893 -3.909 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.960 7.296 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.666 8.065 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.839 9.049 -6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.383 7.709 -5.260 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.209 9.392 -4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.111 10.451 -7.388 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.402 10.859 -5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.385 10.141 -7.080 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.664 9.466 -5.674 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.320 9.592 -6.229 1.00 0.00 C ATOM 1208 C ASP A 107 -0.336 8.713 -5.465 1.00 0.00 C ATOM 1209 O ASP A 107 0.325 7.852 -6.046 1.00 0.00 O ATOM 1210 CB ASP A 107 -0.861 11.050 -6.184 1.00 0.00 C ATOM 1211 CG ASP A 107 -1.384 11.859 -7.355 1.00 0.00 C ATOM 1212 OD1 ASP A 107 -1.180 11.431 -8.511 1.00 0.00 O ATOM 1213 OD2 ASP A 107 -1.998 12.920 -7.117 1.00 0.00 O ATOM 0 H ASP A 107 -3.051 10.334 -5.303 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.348 9.261 -7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.198 11.505 -5.253 1.00 0.00 H new ATOM 0 HB3 ASP A 107 0.228 11.085 -6.180 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.247 8.931 -4.158 1.00 0.00 N ATOM 1219 CA ASP A 108 0.653 8.152 -3.317 1.00 0.00 C ATOM 1220 C ASP A 108 0.267 6.675 -3.330 1.00 0.00 C ATOM 1221 O ASP A 108 1.093 5.804 -3.059 1.00 0.00 O ATOM 1222 CB ASP A 108 0.632 8.683 -1.883 1.00 0.00 C ATOM 1223 CG ASP A 108 1.993 8.607 -1.218 1.00 0.00 C ATOM 1224 OD1 ASP A 108 2.699 7.598 -1.426 1.00 0.00 O ATOM 1225 OD2 ASP A 108 2.351 9.556 -0.489 1.00 0.00 O ATOM 0 H ASP A 108 -0.786 9.639 -3.659 1.00 0.00 H new ATOM 0 HA ASP A 108 1.662 8.250 -3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.290 9.718 -1.887 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.088 8.111 -1.297 1.00 0.00 H new ATOM 1230 N MET A 109 -0.997 6.402 -3.646 1.00 0.00 N ATOM 1231 CA MET A 109 -1.498 5.033 -3.695 1.00 0.00 C ATOM 1232 C MET A 109 -0.701 4.190 -4.685 1.00 0.00 C ATOM 1233 O MET A 109 -0.001 3.255 -4.299 1.00 0.00 O ATOM 1234 CB MET A 109 -2.978 5.032 -4.082 1.00 0.00 C ATOM 1235 CG MET A 109 -3.885 4.479 -3.001 1.00 0.00 C ATOM 1236 SD MET A 109 -3.962 5.542 -1.549 1.00 0.00 S ATOM 1237 CE MET A 109 -5.661 5.288 -1.056 1.00 0.00 C ATOM 0 H MET A 109 -1.693 7.113 -3.872 1.00 0.00 H new ATOM 0 HA MET A 109 -1.382 4.594 -2.704 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.285 6.051 -4.316 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.108 4.443 -4.990 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.889 4.350 -3.405 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.531 3.491 -2.705 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.719 5.222 0.030 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.269 6.124 -1.402 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.033 4.363 -1.496 1.00 0.00 H new ATOM 1247 N ARG A 110 -0.814 4.532 -5.964 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.106 3.812 -7.016 1.00 0.00 C ATOM 1249 C ARG A 110 1.396 3.806 -6.755 1.00 0.00 C ATOM 1250 O ARG A 110 2.118 2.938 -7.243 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.395 4.442 -8.378 1.00 0.00 C ATOM 1252 CG ARG A 110 0.050 5.893 -8.484 1.00 0.00 C ATOM 1253 CD ARG A 110 1.184 6.066 -9.484 1.00 0.00 C ATOM 1254 NE ARG A 110 0.835 7.001 -10.551 1.00 0.00 N ATOM 1255 CZ ARG A 110 0.711 8.315 -10.376 1.00 0.00 C ATOM 1256 NH1 ARG A 110 0.903 8.853 -9.177 1.00 0.00 N ATOM 1257 NH2 ARG A 110 0.394 9.094 -11.401 1.00 0.00 N ATOM 0 H ARG A 110 -1.390 5.305 -6.297 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.461 2.781 -7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.105 3.860 -9.152 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.465 4.383 -8.577 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.796 6.511 -8.784 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.372 6.247 -7.505 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.073 6.424 -8.965 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.436 5.098 -9.918 1.00 0.00 H new ATOM 0 HE ARG A 110 0.677 6.625 -11.486 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.147 8.259 -8.385 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.807 9.860 -9.049 1.00 0.00 H new ATOM 0 HH21 ARG A 110 0.245 8.687 -12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.299 10.101 -11.266 1.00 0.00 H new ATOM 1271 N SER A 111 1.859 4.777 -5.977 1.00 0.00 N ATOM 1272 CA SER A 111 3.274 4.876 -5.646 1.00 0.00 C ATOM 1273 C SER A 111 3.687 3.726 -4.736 1.00 0.00 C ATOM 1274 O SER A 111 4.756 3.137 -4.900 1.00 0.00 O ATOM 1275 CB SER A 111 3.571 6.214 -4.967 1.00 0.00 C ATOM 1276 OG SER A 111 3.090 7.299 -5.742 1.00 0.00 O ATOM 0 H SER A 111 1.276 5.505 -5.565 1.00 0.00 H new ATOM 0 HA SER A 111 3.849 4.817 -6.570 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.108 6.235 -3.980 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.646 6.318 -4.817 1.00 0.00 H new ATOM 0 HG SER A 111 2.111 7.320 -5.704 1.00 0.00 H new ATOM 1282 N ALA A 112 2.823 3.406 -3.779 1.00 0.00 N ATOM 1283 CA ALA A 112 3.091 2.321 -2.847 1.00 0.00 C ATOM 1284 C ALA A 112 3.136 0.984 -3.578 1.00 0.00 C ATOM 1285 O ALA A 112 4.042 0.180 -3.364 1.00 0.00 O ATOM 1286 CB ALA A 112 2.040 2.296 -1.749 1.00 0.00 C ATOM 0 H ALA A 112 1.933 3.882 -3.630 1.00 0.00 H new ATOM 0 HA ALA A 112 4.065 2.491 -2.389 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.254 1.479 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.057 3.242 -1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.055 2.149 -2.192 1.00 0.00 H new ATOM 1292 N ILE A 113 2.158 0.756 -4.452 1.00 0.00 N ATOM 1293 CA ILE A 113 2.102 -0.482 -5.217 1.00 0.00 C ATOM 1294 C ILE A 113 3.342 -0.628 -6.095 1.00 0.00 C ATOM 1295 O ILE A 113 3.748 -1.738 -6.432 1.00 0.00 O ATOM 1296 CB ILE A 113 0.823 -0.562 -6.086 1.00 0.00 C ATOM 1297 CG1 ILE A 113 0.328 -2.008 -6.165 1.00 0.00 C ATOM 1298 CG2 ILE A 113 1.063 -0.003 -7.484 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -0.797 -2.315 -5.202 1.00 0.00 C ATOM 0 H ILE A 113 1.399 1.409 -4.646 1.00 0.00 H new ATOM 0 HA ILE A 113 2.073 -1.304 -4.502 1.00 0.00 H new ATOM 0 HB ILE A 113 0.056 0.050 -5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.008 -2.213 -7.181 1.00 0.00 H new ATOM 0 HG13 ILE A 113 1.162 -2.680 -5.963 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.145 -0.075 -8.067 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.366 1.041 -7.411 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.850 -0.576 -7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.097 -3.357 -5.313 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.459 -2.142 -4.180 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.647 -1.668 -5.417 1.00 0.00 H new ATOM 1311 N THR A 114 3.948 0.501 -6.452 1.00 0.00 N ATOM 1312 CA THR A 114 5.149 0.487 -7.275 1.00 0.00 C ATOM 1313 C THR A 114 6.273 -0.219 -6.530 1.00 0.00 C ATOM 1314 O THR A 114 7.067 -0.949 -7.123 1.00 0.00 O ATOM 1315 CB THR A 114 5.571 1.913 -7.636 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.528 2.586 -8.318 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.803 1.967 -8.513 1.00 0.00 C ATOM 0 H THR A 114 3.628 1.432 -6.185 1.00 0.00 H new ATOM 0 HA THR A 114 4.935 -0.052 -8.198 1.00 0.00 H new ATOM 0 HB THR A 114 5.799 2.397 -6.686 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.766 2.705 -7.714 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.048 3.006 -8.732 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.639 1.498 -7.995 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.610 1.436 -9.445 1.00 0.00 H new ATOM 1325 N ASP A 115 6.318 -0.005 -5.219 1.00 0.00 N ATOM 1326 CA ASP A 115 7.328 -0.630 -4.375 1.00 0.00 C ATOM 1327 C ASP A 115 6.902 -2.045 -4.001 1.00 0.00 C ATOM 1328 O ASP A 115 7.714 -2.971 -3.996 1.00 0.00 O ATOM 1329 CB ASP A 115 7.552 0.200 -3.109 1.00 0.00 C ATOM 1330 CG ASP A 115 9.023 0.362 -2.776 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.790 -0.599 -2.993 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.406 1.450 -2.298 1.00 0.00 O ATOM 0 H ASP A 115 5.665 0.598 -4.718 1.00 0.00 H new ATOM 0 HA ASP A 115 8.263 -0.679 -4.933 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.101 1.184 -3.239 1.00 0.00 H new ATOM 0 HB3 ASP A 115 7.043 -0.276 -2.271 1.00 0.00 H new ATOM 1337 N TRP A 116 5.617 -2.204 -3.694 1.00 0.00 N ATOM 1338 CA TRP A 116 5.071 -3.504 -3.323 1.00 0.00 C ATOM 1339 C TRP A 116 5.098 -4.458 -4.511 1.00 0.00 C ATOM 1340 O TRP A 116 5.555 -5.595 -4.398 1.00 0.00 O ATOM 1341 CB TRP A 116 3.637 -3.350 -2.812 1.00 0.00 C ATOM 1342 CG TRP A 116 3.560 -2.982 -1.362 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.653 -1.730 -0.828 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.373 -3.876 -0.260 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.537 -1.790 0.538 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.365 -3.097 0.911 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.212 -5.260 -0.150 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.203 -3.656 2.176 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.050 -5.813 1.106 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.047 -5.012 2.254 1.00 0.00 C ATOM 0 H TRP A 116 4.934 -1.446 -3.695 1.00 0.00 H new ATOM 0 HA TRP A 116 5.690 -3.920 -2.528 1.00 0.00 H new ATOM 0 HB2 TRP A 116 3.129 -2.586 -3.401 1.00 0.00 H new ATOM 0 HB3 TRP A 116 3.100 -4.285 -2.971 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.797 -0.824 -1.397 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.573 -0.992 1.172 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.214 -5.886 -1.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.201 -3.041 3.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 2.924 -6.881 1.204 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.919 -5.475 3.221 1.00 0.00 H new ATOM 1361 N SER A 117 4.609 -3.983 -5.653 1.00 0.00 N ATOM 1362 CA SER A 117 4.581 -4.788 -6.869 1.00 0.00 C ATOM 1363 C SER A 117 5.971 -5.328 -7.186 1.00 0.00 C ATOM 1364 O SER A 117 6.141 -6.514 -7.476 1.00 0.00 O ATOM 1365 CB SER A 117 4.063 -3.957 -8.045 1.00 0.00 C ATOM 1366 OG SER A 117 4.943 -2.886 -8.340 1.00 0.00 O ATOM 0 H SER A 117 4.227 -3.044 -5.761 1.00 0.00 H new ATOM 0 HA SER A 117 3.908 -5.630 -6.707 1.00 0.00 H new ATOM 0 HB2 SER A 117 3.952 -4.593 -8.923 1.00 0.00 H new ATOM 0 HB3 SER A 117 3.074 -3.565 -7.809 1.00 0.00 H new ATOM 0 HG SER A 117 4.801 -2.160 -7.698 1.00 0.00 H new ATOM 1372 N ASP A 118 6.965 -4.448 -7.120 1.00 0.00 N ATOM 1373 CA ASP A 118 8.345 -4.830 -7.389 1.00 0.00 C ATOM 1374 C ASP A 118 8.800 -5.913 -6.417 1.00 0.00 C ATOM 1375 O ASP A 118 9.615 -6.769 -6.760 1.00 0.00 O ATOM 1376 CB ASP A 118 9.264 -3.611 -7.280 1.00 0.00 C ATOM 1377 CG ASP A 118 10.700 -3.936 -7.643 1.00 0.00 C ATOM 1378 OD1 ASP A 118 11.023 -3.933 -8.850 1.00 0.00 O ATOM 1379 OD2 ASP A 118 11.503 -4.191 -6.721 1.00 0.00 O ATOM 0 H ASP A 118 6.839 -3.464 -6.882 1.00 0.00 H new ATOM 0 HA ASP A 118 8.400 -5.226 -8.403 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.896 -2.822 -7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.228 -3.222 -6.262 1.00 0.00 H new ATOM 1384 N MET A 119 8.262 -5.869 -5.203 1.00 0.00 N ATOM 1385 CA MET A 119 8.604 -6.846 -4.179 1.00 0.00 C ATOM 1386 C MET A 119 7.954 -8.191 -4.480 1.00 0.00 C ATOM 1387 O MET A 119 8.539 -9.244 -4.231 1.00 0.00 O ATOM 1388 CB MET A 119 8.161 -6.349 -2.802 1.00 0.00 C ATOM 1389 CG MET A 119 8.927 -6.982 -1.651 1.00 0.00 C ATOM 1390 SD MET A 119 8.582 -6.189 -0.069 1.00 0.00 S ATOM 1391 CE MET A 119 10.238 -6.028 0.596 1.00 0.00 C ATOM 0 H MET A 119 7.586 -5.165 -4.905 1.00 0.00 H new ATOM 0 HA MET A 119 9.686 -6.975 -4.178 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.285 -5.267 -2.758 1.00 0.00 H new ATOM 0 HB3 MET A 119 7.098 -6.553 -2.676 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.670 -8.039 -1.587 1.00 0.00 H new ATOM 0 HG3 MET A 119 9.996 -6.925 -1.856 1.00 0.00 H new ATOM 0 HE1 MET A 119 10.361 -6.711 1.436 1.00 0.00 H new ATOM 0 HE2 MET A 119 10.966 -6.271 -0.178 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.396 -5.004 0.935 1.00 0.00 H new ATOM 1401 N ARG A 120 6.741 -8.150 -5.020 1.00 0.00 N ATOM 1402 CA ARG A 120 6.011 -9.367 -5.358 1.00 0.00 C ATOM 1403 C ARG A 120 6.872 -10.303 -6.202 1.00 0.00 C ATOM 1404 O ARG A 120 6.960 -11.499 -5.927 1.00 0.00 O ATOM 1405 CB ARG A 120 4.725 -9.023 -6.112 1.00 0.00 C ATOM 1406 CG ARG A 120 3.711 -10.156 -6.138 1.00 0.00 C ATOM 1407 CD ARG A 120 3.036 -10.270 -7.496 1.00 0.00 C ATOM 1408 NE ARG A 120 1.628 -10.643 -7.378 1.00 0.00 N ATOM 1409 CZ ARG A 120 1.208 -11.885 -7.149 1.00 0.00 C ATOM 1410 NH1 ARG A 120 2.082 -12.874 -7.008 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -0.091 -12.139 -7.059 1.00 0.00 N ATOM 0 H ARG A 120 6.242 -7.286 -5.233 1.00 0.00 H new ATOM 0 HA ARG A 120 5.755 -9.876 -4.429 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.267 -8.148 -5.651 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.977 -8.749 -7.136 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.208 -11.096 -5.898 1.00 0.00 H new ATOM 0 HG3 ARG A 120 2.957 -9.988 -5.369 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.116 -9.318 -8.022 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.558 -11.012 -8.099 1.00 0.00 H new ATOM 0 HE ARG A 120 0.927 -9.909 -7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.082 -12.684 -7.075 1.00 0.00 H new ATOM 0 HH12 ARG A 120 1.754 -13.824 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.767 -11.383 -7.165 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.414 -13.091 -6.884 1.00 0.00 H new ATOM 1425 N GLU A 121 7.506 -9.747 -7.229 1.00 0.00 N ATOM 1426 CA GLU A 121 8.361 -10.530 -8.113 1.00 0.00 C ATOM 1427 C GLU A 121 9.741 -10.741 -7.496 1.00 0.00 C ATOM 1428 O GLU A 121 10.367 -11.782 -7.693 1.00 0.00 O ATOM 1429 CB GLU A 121 8.497 -9.836 -9.470 1.00 0.00 C ATOM 1430 CG GLU A 121 7.431 -10.247 -10.472 1.00 0.00 C ATOM 1431 CD GLU A 121 6.138 -9.473 -10.299 1.00 0.00 C ATOM 1432 OE1 GLU A 121 6.191 -8.225 -10.282 1.00 0.00 O ATOM 1433 OE2 GLU A 121 5.073 -10.115 -10.181 1.00 0.00 O ATOM 0 H GLU A 121 7.444 -8.758 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 121 7.896 -11.505 -8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.449 -8.757 -9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.480 -10.058 -9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.809 -10.094 -11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.229 -11.313 -10.365 1.00 0.00 H new ATOM 1440 N ALA A 122 10.209 -9.746 -6.749 1.00 0.00 N ATOM 1441 CA ALA A 122 11.516 -9.822 -6.105 1.00 0.00 C ATOM 1442 C ALA A 122 11.523 -10.858 -4.984 1.00 0.00 C ATOM 1443 O ALA A 122 12.294 -11.817 -5.017 1.00 0.00 O ATOM 1444 CB ALA A 122 11.915 -8.458 -5.564 1.00 0.00 C ATOM 0 H ALA A 122 9.703 -8.878 -6.575 1.00 0.00 H new ATOM 0 HA ALA A 122 12.243 -10.134 -6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.892 -8.528 -5.086 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.963 -7.741 -6.384 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.177 -8.126 -4.834 1.00 0.00 H new ATOM 1450 N LEU A 123 10.661 -10.654 -3.992 1.00 0.00 N ATOM 1451 CA LEU A 123 10.567 -11.566 -2.855 1.00 0.00 C ATOM 1452 C LEU A 123 10.412 -13.012 -3.318 1.00 0.00 C ATOM 1453 O LEU A 123 11.087 -13.910 -2.816 1.00 0.00 O ATOM 1454 CB LEU A 123 9.391 -11.173 -1.956 1.00 0.00 C ATOM 1455 CG LEU A 123 9.743 -10.965 -0.483 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.808 -9.890 -0.337 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.499 -10.600 0.316 1.00 0.00 C ATOM 0 H LEU A 123 10.017 -9.864 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 123 11.493 -11.490 -2.286 1.00 0.00 H new ATOM 0 HB2 LEU A 123 8.950 -10.254 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.626 -11.947 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 123 10.142 -11.899 -0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.046 -9.755 0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.706 -10.192 -0.876 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.436 -8.951 -0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.768 -10.456 1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.070 -9.679 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.767 -11.404 0.237 1.00 0.00 H new ATOM 1469 N GLN A 124 9.518 -13.230 -4.278 1.00 0.00 N ATOM 1470 CA GLN A 124 9.277 -14.569 -4.805 1.00 0.00 C ATOM 1471 C GLN A 124 10.561 -15.174 -5.365 1.00 0.00 C ATOM 1472 O GLN A 124 10.853 -16.349 -5.146 1.00 0.00 O ATOM 1473 CB GLN A 124 8.202 -14.528 -5.892 1.00 0.00 C ATOM 1474 CG GLN A 124 7.245 -15.708 -5.844 1.00 0.00 C ATOM 1475 CD GLN A 124 6.968 -16.293 -7.215 1.00 0.00 C ATOM 1476 OE1 GLN A 124 7.772 -16.150 -8.137 1.00 0.00 O ATOM 1477 NE2 GLN A 124 5.826 -16.955 -7.357 1.00 0.00 N ATOM 0 H GLN A 124 8.950 -12.499 -4.706 1.00 0.00 H new ATOM 0 HA GLN A 124 8.929 -15.197 -3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 124 7.632 -13.604 -5.793 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.685 -14.502 -6.869 1.00 0.00 H new ATOM 0 HG2 GLN A 124 7.662 -16.483 -5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.305 -15.390 -5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 124 5.189 -17.049 -6.566 1.00 0.00 H new ATOM 0 HE22 GLN A 124 5.585 -17.370 -8.257 1.00 0.00 H new ATOM 1486 N HIS A 125 11.324 -14.361 -6.089 1.00 0.00 N ATOM 1487 CA HIS A 125 12.577 -14.815 -6.681 1.00 0.00 C ATOM 1488 C HIS A 125 13.632 -15.054 -5.606 1.00 0.00 C ATOM 1489 O HIS A 125 14.242 -16.122 -5.547 1.00 0.00 O ATOM 1490 CB HIS A 125 13.087 -13.788 -7.693 1.00 0.00 C ATOM 1491 CG HIS A 125 13.834 -14.396 -8.839 1.00 0.00 C ATOM 1492 ND1 HIS A 125 13.534 -14.132 -10.158 1.00 0.00 N ATOM 1493 CD2 HIS A 125 14.876 -15.262 -8.858 1.00 0.00 C ATOM 1494 CE1 HIS A 125 14.358 -14.808 -10.940 1.00 0.00 C ATOM 1495 NE2 HIS A 125 15.182 -15.501 -10.175 1.00 0.00 N ATOM 0 H HIS A 125 11.096 -13.385 -6.280 1.00 0.00 H new ATOM 0 HA HIS A 125 12.387 -15.758 -7.194 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.241 -13.222 -8.081 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.737 -13.078 -7.182 1.00 0.00 H new ATOM 0 HD2 HIS A 125 15.373 -15.685 -7.998 1.00 0.00 H new ATOM 0 HE1 HIS A 125 14.358 -14.796 -12.020 1.00 0.00 H new ATOM 0 HE2 HIS A 125 15.925 -16.115 -10.509 1.00 0.00 H new ATOM 1504 N ALA A 126 13.843 -14.053 -4.757 1.00 0.00 N ATOM 1505 CA ALA A 126 14.825 -14.152 -3.684 1.00 0.00 C ATOM 1506 C ALA A 126 14.517 -15.326 -2.761 1.00 0.00 C ATOM 1507 O ALA A 126 15.425 -15.987 -2.258 1.00 0.00 O ATOM 1508 CB ALA A 126 14.872 -12.854 -2.892 1.00 0.00 C ATOM 0 H ALA A 126 13.346 -13.163 -4.792 1.00 0.00 H new ATOM 0 HA ALA A 126 15.802 -14.327 -4.135 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.609 -12.941 -2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.149 -12.034 -3.554 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.891 -12.656 -2.460 1.00 0.00 H new ATOM 1514 N MET A 127 13.231 -15.580 -2.541 1.00 0.00 N ATOM 1515 CA MET A 127 12.804 -16.675 -1.677 1.00 0.00 C ATOM 1516 C MET A 127 13.361 -18.006 -2.172 1.00 0.00 C ATOM 1517 O MET A 127 13.843 -18.820 -1.384 1.00 0.00 O ATOM 1518 CB MET A 127 11.278 -16.739 -1.615 1.00 0.00 C ATOM 1519 CG MET A 127 10.750 -17.529 -0.428 1.00 0.00 C ATOM 1520 SD MET A 127 8.960 -17.743 -0.477 1.00 0.00 S ATOM 1521 CE MET A 127 8.417 -16.041 -0.602 1.00 0.00 C ATOM 0 H MET A 127 12.466 -15.042 -2.949 1.00 0.00 H new ATOM 0 HA MET A 127 13.193 -16.488 -0.676 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.882 -15.725 -1.571 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.904 -17.188 -2.535 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.229 -18.508 -0.406 1.00 0.00 H new ATOM 0 HG3 MET A 127 11.026 -17.019 0.495 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.349 -15.984 -0.393 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.961 -15.432 0.120 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.611 -15.670 -1.609 1.00 0.00 H new ATOM 1531 N GLY A 128 13.293 -18.220 -3.481 1.00 0.00 N ATOM 1532 CA GLY A 128 13.797 -19.454 -4.057 1.00 0.00 C ATOM 1533 C GLY A 128 12.926 -19.977 -5.184 1.00 0.00 C ATOM 1534 O GLY A 128 12.728 -21.185 -5.311 1.00 0.00 O ATOM 0 H GLY A 128 12.899 -17.562 -4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.807 -19.288 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.867 -20.212 -3.277 1.00 0.00 H new ATOM 1538 N ILE A 129 12.407 -19.069 -6.004 1.00 0.00 N ATOM 1539 CA ILE A 129 11.557 -19.451 -7.125 1.00 0.00 C ATOM 1540 C ILE A 129 11.957 -18.711 -8.397 1.00 0.00 C ATOM 1541 O ILE A 129 12.592 -17.658 -8.341 1.00 0.00 O ATOM 1542 CB ILE A 129 10.073 -19.169 -6.825 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.688 -19.744 -5.460 1.00 0.00 C ATOM 1544 CG2 ILE A 129 9.191 -19.749 -7.921 1.00 0.00 C ATOM 1545 CD1 ILE A 129 9.515 -18.691 -4.388 1.00 0.00 C ATOM 0 H ILE A 129 12.560 -18.065 -5.913 1.00 0.00 H new ATOM 0 HA ILE A 129 11.693 -20.522 -7.274 1.00 0.00 H new ATOM 0 HB ILE A 129 9.921 -18.090 -6.798 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.759 -20.305 -5.560 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.455 -20.451 -5.143 1.00 0.00 H new ATOM 0 HG21 ILE A 129 8.145 -19.541 -7.694 1.00 0.00 H new ATOM 0 HG22 ILE A 129 9.452 -19.295 -8.877 1.00 0.00 H new ATOM 0 HG23 ILE A 129 9.343 -20.827 -7.978 1.00 0.00 H new ATOM 0 HD11 ILE A 129 9.243 -19.170 -3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 129 10.450 -18.145 -4.260 1.00 0.00 H new ATOM 0 HD13 ILE A 129 8.728 -17.997 -4.683 1.00 0.00 H new