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= -1.06 K(o=-1.1,f=-2.7!) USER MOD Set 1.2: A 58 SER OG : rot -170:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.069 USER MOD Single : A 33 SER OG : rot -91:sc= 0.0697 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0533 USER MOD Single : A 35 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.11) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HE2:sc= 0.108 F(o=-0.41,f=0.11) USER MOD Single : A 42 GLN : amide:sc= -0.0535 X(o=-0.054,f=-0.0058) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.411 F(o=-1.8,f=-0.41) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.205 K(o=-0.21,f=-1.3!) 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= -5.35 K(o=-5.4,f=-20!) USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 71 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.1) 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= -0.0579 X(o=-0.058,f=-0.004) USER MOD Single : A 76 THR OG1 : rot 76:sc= -0.565 USER MOD Single : A 77 GLN : amide:sc= -0.235 K(o=-0.24,f=-0.82) USER MOD Single : A 79 THR OG1 : rot -91:sc= -1.92 USER MOD Single : A 82 MET CE :methyl 175:sc= -0.37 (180deg=-0.436) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.0237 K(o=-0.024,f=-1.7!) USER MOD Single : A 87 HIS :FLIP no HE2:sc= -2.78 F(o=-5.5,f=-2.8) USER MOD Single : A 103 HIS : no HD1:sc= -1.22 X(o=-1.2,f=-0.91) USER MOD Single : A 105 ASN : amide:sc= -4.76! C(o=-4.8!,f=-16!) USER MOD Single : A 109 MET CE :methyl 140:sc= -6.98! (180deg=-14.8!) USER MOD Single : A 111 SER OG : rot 63:sc= -0.1 USER MOD Single : A 114 THR OG1 : rot 68:sc= 0.183 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -118:sc= -1.77 (180deg=-8.31!) USER MOD Single : A 124 GLN : amide:sc= -0.629 X(o=-0.63,f=-0.25) USER MOD Single : A 125 HIS :FLIP no HE2:sc=-0.00235 F(o=-0.58,f=-0.0024) USER MOD Single : A 127 MET CE :methyl -153:sc= -1.58 (180deg=-2.19!) USER MOD ----------------------------------------------------------------- ATOM 43 N THR A 32 -14.045 10.778 -7.511 1.00 0.00 N ATOM 44 CA THR A 32 -15.259 10.611 -6.719 1.00 0.00 C ATOM 45 C THR A 32 -14.938 10.031 -5.346 1.00 0.00 C ATOM 46 O THR A 32 -13.894 9.408 -5.153 1.00 0.00 O ATOM 47 CB THR A 32 -16.248 9.700 -7.448 1.00 0.00 C ATOM 48 OG1 THR A 32 -15.855 8.344 -7.336 1.00 0.00 O ATOM 49 CG2 THR A 32 -16.384 10.018 -8.920 1.00 0.00 C ATOM 0 HA THR A 32 -15.711 11.594 -6.583 1.00 0.00 H new ATOM 0 HB THR A 32 -17.210 9.875 -6.966 1.00 0.00 H new ATOM 0 HG1 THR A 32 -16.500 7.776 -7.807 1.00 0.00 H new ATOM 0 HG21 THR A 32 -17.101 9.334 -9.375 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.734 11.043 -9.040 1.00 0.00 H new ATOM 0 HG23 THR A 32 -15.416 9.906 -9.407 1.00 0.00 H new ATOM 57 N SER A 33 -15.844 10.237 -4.396 1.00 0.00 N ATOM 58 CA SER A 33 -15.659 9.730 -3.042 1.00 0.00 C ATOM 59 C SER A 33 -15.534 8.210 -3.050 1.00 0.00 C ATOM 60 O SER A 33 -14.736 7.636 -2.308 1.00 0.00 O ATOM 61 CB SER A 33 -16.827 10.155 -2.150 1.00 0.00 C ATOM 62 OG SER A 33 -18.032 10.235 -2.891 1.00 0.00 O ATOM 0 H SER A 33 -16.713 10.751 -4.539 1.00 0.00 H new ATOM 0 HA SER A 33 -14.738 10.153 -2.642 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.945 9.441 -1.335 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.610 11.123 -1.698 1.00 0.00 H new ATOM 0 HG SER A 33 -18.143 11.145 -3.239 1.00 0.00 H new ATOM 68 N SER A 34 -16.327 7.564 -3.899 1.00 0.00 N ATOM 69 CA SER A 34 -16.305 6.111 -4.011 1.00 0.00 C ATOM 70 C SER A 34 -14.990 5.635 -4.620 1.00 0.00 C ATOM 71 O SER A 34 -14.556 4.509 -4.379 1.00 0.00 O ATOM 72 CB SER A 34 -17.481 5.626 -4.860 1.00 0.00 C ATOM 73 OG SER A 34 -18.564 6.537 -4.800 1.00 0.00 O ATOM 0 H SER A 34 -16.993 8.025 -4.519 1.00 0.00 H new ATOM 0 HA SER A 34 -16.394 5.691 -3.009 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.161 5.505 -5.895 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.806 4.646 -4.510 1.00 0.00 H new ATOM 0 HG SER A 34 -19.302 6.205 -5.352 1.00 0.00 H new ATOM 79 N GLN A 35 -14.361 6.499 -5.411 1.00 0.00 N ATOM 80 CA GLN A 35 -13.097 6.165 -6.054 1.00 0.00 C ATOM 81 C GLN A 35 -11.938 6.291 -5.073 1.00 0.00 C ATOM 82 O GLN A 35 -11.029 5.461 -5.063 1.00 0.00 O ATOM 83 CB GLN A 35 -12.863 7.069 -7.264 1.00 0.00 C ATOM 84 CG GLN A 35 -11.531 6.835 -7.958 1.00 0.00 C ATOM 85 CD GLN A 35 -11.302 5.378 -8.309 1.00 0.00 C ATOM 86 OE1 GLN A 35 -11.982 4.820 -9.170 1.00 0.00 O ATOM 87 NE2 GLN A 35 -10.339 4.753 -7.641 1.00 0.00 N ATOM 0 H GLN A 35 -14.707 7.435 -5.621 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.150 5.130 -6.390 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.668 6.914 -7.982 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -12.917 8.110 -6.944 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -11.490 7.434 -8.867 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.724 7.180 -7.312 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -9.800 5.254 -6.935 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -10.139 3.772 -7.834 1.00 0.00 H new ATOM 96 N LEU A 36 -11.977 7.329 -4.241 1.00 0.00 N ATOM 97 CA LEU A 36 -10.928 7.547 -3.252 1.00 0.00 C ATOM 98 C LEU A 36 -10.724 6.289 -2.417 1.00 0.00 C ATOM 99 O LEU A 36 -9.594 5.861 -2.180 1.00 0.00 O ATOM 100 CB LEU A 36 -11.283 8.730 -2.347 1.00 0.00 C ATOM 101 CG LEU A 36 -11.279 10.095 -3.037 1.00 0.00 C ATOM 102 CD1 LEU A 36 -12.036 11.117 -2.203 1.00 0.00 C ATOM 103 CD2 LEU A 36 -9.852 10.561 -3.287 1.00 0.00 C ATOM 0 H LEU A 36 -12.720 8.028 -4.233 1.00 0.00 H new ATOM 0 HA LEU A 36 -10.000 7.777 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.271 8.558 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.578 8.757 -1.516 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.783 9.996 -3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -12.022 12.082 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.068 10.789 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -11.561 11.213 -1.227 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -9.868 11.534 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.324 10.643 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.340 9.840 -3.925 1.00 0.00 H new ATOM 115 N LEU A 37 -11.831 5.688 -1.993 1.00 0.00 N ATOM 116 CA LEU A 37 -11.778 4.466 -1.205 1.00 0.00 C ATOM 117 C LEU A 37 -11.581 3.257 -2.115 1.00 0.00 C ATOM 118 O LEU A 37 -10.996 2.254 -1.710 1.00 0.00 O ATOM 119 CB LEU A 37 -13.056 4.302 -0.377 1.00 0.00 C ATOM 120 CG LEU A 37 -14.313 3.953 -1.178 1.00 0.00 C ATOM 121 CD1 LEU A 37 -14.543 2.449 -1.183 1.00 0.00 C ATOM 122 CD2 LEU A 37 -15.525 4.676 -0.610 1.00 0.00 C ATOM 0 H LEU A 37 -12.774 6.028 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.931 4.534 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.890 3.522 0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.238 5.228 0.168 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.167 4.282 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.441 2.220 -1.757 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.686 1.951 -1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.667 2.097 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.409 4.416 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.673 4.378 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.362 5.753 -0.659 1.00 0.00 H new ATOM 134 N SER A 38 -12.070 3.361 -3.351 1.00 0.00 N ATOM 135 CA SER A 38 -11.941 2.273 -4.316 1.00 0.00 C ATOM 136 C SER A 38 -10.482 1.861 -4.477 1.00 0.00 C ATOM 137 O SER A 38 -10.152 0.675 -4.432 1.00 0.00 O ATOM 138 CB SER A 38 -12.516 2.691 -5.670 1.00 0.00 C ATOM 139 OG SER A 38 -12.363 1.659 -6.630 1.00 0.00 O ATOM 0 H SER A 38 -12.557 4.185 -3.705 1.00 0.00 H new ATOM 0 HA SER A 38 -12.503 1.419 -3.939 1.00 0.00 H new ATOM 0 HB2 SER A 38 -13.572 2.936 -5.560 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.014 3.594 -6.019 1.00 0.00 H new ATOM 0 HG SER A 38 -12.740 1.950 -7.486 1.00 0.00 H new ATOM 145 N VAL A 39 -9.611 2.847 -4.663 1.00 0.00 N ATOM 146 CA VAL A 39 -8.190 2.581 -4.829 1.00 0.00 C ATOM 147 C VAL A 39 -7.562 2.134 -3.512 1.00 0.00 C ATOM 148 O VAL A 39 -6.706 1.251 -3.492 1.00 0.00 O ATOM 149 CB VAL A 39 -7.438 3.816 -5.362 1.00 0.00 C ATOM 150 CG1 VAL A 39 -7.536 4.972 -4.379 1.00 0.00 C ATOM 151 CG2 VAL A 39 -5.984 3.472 -5.650 1.00 0.00 C ATOM 0 H VAL A 39 -9.865 3.834 -4.702 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.101 1.779 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.907 4.127 -6.296 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.998 5.833 -4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.583 5.235 -4.230 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.097 4.677 -3.426 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.468 4.356 -6.026 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.502 3.133 -4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.939 2.680 -6.398 1.00 0.00 H new ATOM 161 N ARG A 40 -7.996 2.742 -2.410 1.00 0.00 N ATOM 162 CA ARG A 40 -7.469 2.387 -1.098 1.00 0.00 C ATOM 163 C ARG A 40 -7.773 0.924 -0.781 1.00 0.00 C ATOM 164 O ARG A 40 -7.064 0.287 -0.001 1.00 0.00 O ATOM 165 CB ARG A 40 -8.045 3.314 -0.013 1.00 0.00 C ATOM 166 CG ARG A 40 -8.218 2.661 1.353 1.00 0.00 C ATOM 167 CD ARG A 40 -9.589 2.019 1.495 1.00 0.00 C ATOM 168 NE ARG A 40 -9.843 1.569 2.862 1.00 0.00 N ATOM 169 CZ ARG A 40 -9.365 0.436 3.371 1.00 0.00 C ATOM 170 NH1 ARG A 40 -8.608 -0.365 2.631 1.00 0.00 N ATOM 171 NH2 ARG A 40 -9.644 0.102 4.624 1.00 0.00 N ATOM 0 H ARG A 40 -8.704 3.476 -2.400 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.387 2.517 -1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.390 4.179 0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.013 3.686 -0.348 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.445 1.906 1.497 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.083 3.409 2.134 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.357 2.734 1.200 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.665 1.171 0.814 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.421 2.158 3.462 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.390 -0.113 1.667 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.244 -1.232 3.027 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.225 0.714 5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.278 -0.766 5.014 1.00 0.00 H new ATOM 185 N HIS A 41 -8.823 0.394 -1.400 1.00 0.00 N ATOM 186 CA HIS A 41 -9.208 -0.994 -1.190 1.00 0.00 C ATOM 187 C HIS A 41 -8.249 -1.924 -1.926 1.00 0.00 C ATOM 188 O HIS A 41 -7.910 -3.000 -1.435 1.00 0.00 O ATOM 189 CB HIS A 41 -10.643 -1.228 -1.671 1.00 0.00 C ATOM 190 CG HIS A 41 -11.668 -1.107 -0.585 1.00 0.00 C ATOM 191 ND1 HIS A 41 -12.209 -0.015 0.008 1.00 0.00 N flip ATOM 192 CD2 HIS A 41 -12.261 -2.198 0.015 1.00 0.00 C flip ATOM 193 CE1 HIS A 41 -13.108 -0.464 0.944 1.00 0.00 C flip ATOM 194 NE2 HIS A 41 -13.122 -1.783 0.928 1.00 0.00 N flip ATOM 0 H HIS A 41 -9.421 0.905 -2.050 1.00 0.00 H new ATOM 0 HA HIS A 41 -9.158 -1.211 -0.123 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -10.874 -0.511 -2.459 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -10.711 -2.222 -2.114 1.00 0.00 H new ATOM 0 HD1 HIS A 41 -11.989 0.959 -0.202 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.054 -3.231 -0.224 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -13.707 0.162 1.589 1.00 0.00 H new ATOM 203 N GLN A 42 -7.812 -1.493 -3.106 1.00 0.00 N ATOM 204 CA GLN A 42 -6.886 -2.278 -3.914 1.00 0.00 C ATOM 205 C GLN A 42 -5.449 -2.086 -3.437 1.00 0.00 C ATOM 206 O GLN A 42 -4.626 -2.997 -3.523 1.00 0.00 O ATOM 207 CB GLN A 42 -7.012 -1.888 -5.392 1.00 0.00 C ATOM 208 CG GLN A 42 -6.380 -0.547 -5.738 1.00 0.00 C ATOM 209 CD GLN A 42 -6.100 -0.401 -7.221 1.00 0.00 C ATOM 210 OE1 GLN A 42 -6.664 0.467 -7.888 1.00 0.00 O ATOM 211 NE2 GLN A 42 -5.224 -1.250 -7.746 1.00 0.00 N ATOM 0 H GLN A 42 -8.085 -0.603 -3.524 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.143 -3.331 -3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.549 -2.664 -6.002 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -8.068 -1.860 -5.660 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.042 0.257 -5.416 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.449 -0.434 -5.183 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -4.780 -1.954 -7.157 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.995 -1.198 -8.739 1.00 0.00 H new ATOM 220 N LEU A 43 -5.156 -0.889 -2.935 1.00 0.00 N ATOM 221 CA LEU A 43 -3.821 -0.567 -2.445 1.00 0.00 C ATOM 222 C LEU A 43 -3.575 -1.221 -1.089 1.00 0.00 C ATOM 223 O LEU A 43 -2.747 -2.123 -0.965 1.00 0.00 O ATOM 224 CB LEU A 43 -3.657 0.955 -2.342 1.00 0.00 C ATOM 225 CG LEU A 43 -2.229 1.506 -2.497 1.00 0.00 C ATOM 226 CD1 LEU A 43 -1.592 1.725 -1.135 1.00 0.00 C ATOM 227 CD2 LEU A 43 -1.360 0.588 -3.346 1.00 0.00 C ATOM 0 H LEU A 43 -5.828 -0.125 -2.857 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.086 -0.956 -3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.285 1.418 -3.103 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.042 1.274 -1.374 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.301 2.464 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.582 2.115 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.187 2.439 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.549 0.778 -0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.359 1.011 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.299 -0.393 -2.876 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.798 0.488 -4.339 1.00 0.00 H new ATOM 239 N ALA A 44 -4.305 -0.764 -0.073 1.00 0.00 N ATOM 240 CA ALA A 44 -4.171 -1.309 1.276 1.00 0.00 C ATOM 241 C ALA A 44 -4.175 -2.836 1.266 1.00 0.00 C ATOM 242 O ALA A 44 -3.340 -3.472 1.909 1.00 0.00 O ATOM 243 CB ALA A 44 -5.288 -0.786 2.166 1.00 0.00 C ATOM 0 H ALA A 44 -4.995 -0.018 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.211 -0.981 1.675 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.178 -1.199 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.236 0.302 2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.252 -1.086 1.754 1.00 0.00 H new ATOM 249 N GLU A 45 -5.119 -3.420 0.531 1.00 0.00 N ATOM 250 CA GLU A 45 -5.225 -4.873 0.439 1.00 0.00 C ATOM 251 C GLU A 45 -3.917 -5.482 -0.054 1.00 0.00 C ATOM 252 O GLU A 45 -3.284 -6.272 0.647 1.00 0.00 O ATOM 253 CB GLU A 45 -6.368 -5.266 -0.497 1.00 0.00 C ATOM 254 CG GLU A 45 -7.738 -5.219 0.162 1.00 0.00 C ATOM 255 CD GLU A 45 -8.846 -5.686 -0.762 1.00 0.00 C ATOM 256 OE1 GLU A 45 -8.654 -6.711 -1.449 1.00 0.00 O ATOM 257 OE2 GLU A 45 -9.906 -5.026 -0.799 1.00 0.00 O ATOM 0 H GLU A 45 -5.819 -2.910 -0.008 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.434 -5.260 1.436 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.366 -4.599 -1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.189 -6.274 -0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.729 -5.842 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.946 -4.199 0.487 1.00 0.00 H new ATOM 264 N SER A 46 -3.515 -5.107 -1.264 1.00 0.00 N ATOM 265 CA SER A 46 -2.279 -5.613 -1.850 1.00 0.00 C ATOM 266 C SER A 46 -1.078 -5.252 -0.981 1.00 0.00 C ATOM 267 O SER A 46 -0.059 -5.943 -0.995 1.00 0.00 O ATOM 268 CB SER A 46 -2.091 -5.047 -3.259 1.00 0.00 C ATOM 269 OG SER A 46 -2.635 -5.918 -4.236 1.00 0.00 O ATOM 0 H SER A 46 -4.027 -4.455 -1.858 1.00 0.00 H new ATOM 0 HA SER A 46 -2.350 -6.699 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 46 -2.572 -4.071 -3.329 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.030 -4.894 -3.454 1.00 0.00 H new ATOM 0 HG SER A 46 -2.503 -5.533 -5.127 1.00 0.00 H new ATOM 275 N ALA A 47 -1.205 -4.165 -0.225 1.00 0.00 N ATOM 276 CA ALA A 47 -0.130 -3.712 0.650 1.00 0.00 C ATOM 277 C ALA A 47 0.007 -4.617 1.871 1.00 0.00 C ATOM 278 O ALA A 47 -0.193 -4.182 3.006 1.00 0.00 O ATOM 279 CB ALA A 47 -0.375 -2.272 1.081 1.00 0.00 C ATOM 0 H ALA A 47 -2.042 -3.582 -0.201 1.00 0.00 H new ATOM 0 HA ALA A 47 0.805 -3.760 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.434 -1.945 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.413 -1.630 0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.322 -2.209 1.617 1.00 0.00 H new ATOM 285 N GLY A 48 0.352 -5.878 1.632 1.00 0.00 N ATOM 286 CA GLY A 48 0.513 -6.822 2.722 1.00 0.00 C ATOM 287 C GLY A 48 0.775 -8.234 2.235 1.00 0.00 C ATOM 288 O GLY A 48 -0.099 -8.865 1.641 1.00 0.00 O ATOM 0 H GLY A 48 0.523 -6.263 0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.339 -6.501 3.357 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.385 -6.815 3.340 1.00 0.00 H new ATOM 292 N LEU A 49 1.981 -8.734 2.492 1.00 0.00 N ATOM 293 CA LEU A 49 2.352 -10.083 2.079 1.00 0.00 C ATOM 294 C LEU A 49 1.422 -11.113 2.720 1.00 0.00 C ATOM 295 O LEU A 49 0.942 -10.914 3.836 1.00 0.00 O ATOM 296 CB LEU A 49 3.806 -10.378 2.461 1.00 0.00 C ATOM 297 CG LEU A 49 4.863 -9.873 1.471 1.00 0.00 C ATOM 298 CD1 LEU A 49 4.543 -10.336 0.057 1.00 0.00 C ATOM 299 CD2 LEU A 49 4.969 -8.356 1.523 1.00 0.00 C ATOM 0 H LEU A 49 2.716 -8.226 2.983 1.00 0.00 H new ATOM 0 HA LEU A 49 2.254 -10.149 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.005 -9.934 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.923 -11.456 2.572 1.00 0.00 H new ATOM 0 HG LEU A 49 5.826 -10.295 1.760 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.306 -9.966 -0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.525 -11.425 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.569 -9.948 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.724 -8.020 0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.006 -7.915 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.252 -8.045 2.529 1.00 0.00 H new ATOM 311 N PRO A 50 1.147 -12.227 2.019 1.00 0.00 N ATOM 312 CA PRO A 50 0.261 -13.281 2.529 1.00 0.00 C ATOM 313 C PRO A 50 0.774 -13.900 3.830 1.00 0.00 C ATOM 314 O PRO A 50 0.348 -13.510 4.917 1.00 0.00 O ATOM 315 CB PRO A 50 0.236 -14.319 1.398 1.00 0.00 C ATOM 316 CG PRO A 50 1.440 -14.025 0.570 1.00 0.00 C ATOM 317 CD PRO A 50 1.668 -12.545 0.680 1.00 0.00 C ATOM 0 HA PRO A 50 -0.726 -12.893 2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.269 -15.334 1.794 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.677 -14.237 0.808 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.306 -14.581 0.930 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.281 -14.319 -0.467 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.724 -12.292 0.587 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.139 -11.996 -0.099 1.00 0.00 H new ATOM 325 N ARG A 51 1.684 -14.866 3.719 1.00 0.00 N ATOM 326 CA ARG A 51 2.237 -15.527 4.896 1.00 0.00 C ATOM 327 C ARG A 51 3.681 -15.957 4.658 1.00 0.00 C ATOM 328 O ARG A 51 4.611 -15.382 5.223 1.00 0.00 O ATOM 329 CB ARG A 51 1.386 -16.743 5.270 1.00 0.00 C ATOM 330 CG ARG A 51 1.889 -17.484 6.500 1.00 0.00 C ATOM 331 CD ARG A 51 2.410 -18.869 6.147 1.00 0.00 C ATOM 332 NE ARG A 51 3.668 -19.169 6.826 1.00 0.00 N ATOM 333 CZ ARG A 51 3.755 -19.512 8.109 1.00 0.00 C ATOM 334 NH1 ARG A 51 2.660 -19.602 8.855 1.00 0.00 N ATOM 335 NH2 ARG A 51 4.939 -19.768 8.648 1.00 0.00 N ATOM 0 H ARG A 51 2.051 -15.206 2.830 1.00 0.00 H new ATOM 0 HA ARG A 51 2.224 -14.813 5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.361 -16.418 5.446 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.361 -17.432 4.426 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.683 -16.906 6.974 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.082 -17.573 7.227 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.665 -19.617 6.418 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.554 -18.938 5.069 1.00 0.00 H new ATOM 0 HE ARG A 51 4.531 -19.112 6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.746 -19.408 8.445 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.733 -19.865 9.838 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.783 -19.702 8.079 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.006 -20.031 9.631 1.00 0.00 H new ATOM 349 N ASP A 52 3.860 -16.974 3.819 1.00 0.00 N ATOM 350 CA ASP A 52 5.190 -17.487 3.507 1.00 0.00 C ATOM 351 C ASP A 52 6.125 -16.363 3.071 1.00 0.00 C ATOM 352 O ASP A 52 7.318 -16.380 3.377 1.00 0.00 O ATOM 353 CB ASP A 52 5.104 -18.548 2.408 1.00 0.00 C ATOM 354 CG ASP A 52 4.620 -19.885 2.933 1.00 0.00 C ATOM 355 OD1 ASP A 52 3.399 -20.030 3.152 1.00 0.00 O ATOM 356 OD2 ASP A 52 5.462 -20.787 3.126 1.00 0.00 O ATOM 0 H ASP A 52 3.100 -17.459 3.343 1.00 0.00 H new ATOM 0 HA ASP A 52 5.596 -17.939 4.412 1.00 0.00 H new ATOM 0 HB2 ASP A 52 4.429 -18.202 1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.085 -18.674 1.951 1.00 0.00 H new ATOM 361 N GLN A 53 5.576 -15.387 2.356 1.00 0.00 N ATOM 362 CA GLN A 53 6.361 -14.255 1.881 1.00 0.00 C ATOM 363 C GLN A 53 6.950 -13.473 3.051 1.00 0.00 C ATOM 364 O GLN A 53 8.053 -12.935 2.958 1.00 0.00 O ATOM 365 CB GLN A 53 5.497 -13.335 1.018 1.00 0.00 C ATOM 366 CG GLN A 53 5.589 -13.631 -0.470 1.00 0.00 C ATOM 367 CD GLN A 53 4.305 -14.214 -1.030 1.00 0.00 C ATOM 368 OE1 GLN A 53 3.456 -13.354 -1.579 1.00 0.00 O flip ATOM 369 NE2 GLN A 53 4.080 -15.422 -0.969 1.00 0.00 N flip ATOM 0 H GLN A 53 4.591 -15.358 2.093 1.00 0.00 H new ATOM 0 HA GLN A 53 7.182 -14.641 1.277 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.458 -13.425 1.334 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.795 -12.301 1.193 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.830 -12.712 -1.005 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.408 -14.328 -0.648 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.761 -16.047 -0.538 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.212 -15.799 -1.350 1.00 0.00 H new ATOM 378 N HIS A 54 6.206 -13.414 4.151 1.00 0.00 N ATOM 379 CA HIS A 54 6.656 -12.697 5.339 1.00 0.00 C ATOM 380 C HIS A 54 7.723 -13.493 6.084 1.00 0.00 C ATOM 381 O HIS A 54 8.709 -12.933 6.563 1.00 0.00 O ATOM 382 CB HIS A 54 5.476 -12.411 6.270 1.00 0.00 C ATOM 383 CG HIS A 54 5.862 -11.666 7.511 1.00 0.00 C ATOM 384 ND1 HIS A 54 6.705 -12.188 8.471 1.00 0.00 N ATOM 385 CD2 HIS A 54 5.522 -10.429 7.945 1.00 0.00 C ATOM 386 CE1 HIS A 54 6.866 -11.306 9.440 1.00 0.00 C ATOM 387 NE2 HIS A 54 6.160 -10.230 9.145 1.00 0.00 N ATOM 0 H HIS A 54 5.290 -13.853 4.244 1.00 0.00 H new ATOM 0 HA HIS A 54 7.091 -11.751 5.016 1.00 0.00 H new ATOM 0 HB2 HIS A 54 4.727 -11.834 5.728 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.009 -13.355 6.552 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.871 -9.730 7.442 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.472 -11.442 10.324 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.098 -9.387 9.716 1.00 0.00 H new ATOM 396 N GLU A 55 7.516 -14.801 6.182 1.00 0.00 N ATOM 397 CA GLU A 55 8.456 -15.676 6.874 1.00 0.00 C ATOM 398 C GLU A 55 9.844 -15.617 6.239 1.00 0.00 C ATOM 399 O GLU A 55 10.835 -15.992 6.864 1.00 0.00 O ATOM 400 CB GLU A 55 7.940 -17.117 6.865 1.00 0.00 C ATOM 401 CG GLU A 55 8.180 -17.858 8.170 1.00 0.00 C ATOM 402 CD GLU A 55 8.441 -19.337 7.962 1.00 0.00 C ATOM 403 OE1 GLU A 55 7.630 -19.992 7.273 1.00 0.00 O ATOM 404 OE2 GLU A 55 9.455 -19.841 8.488 1.00 0.00 O ATOM 0 H GLU A 55 6.705 -15.280 5.791 1.00 0.00 H new ATOM 0 HA GLU A 55 8.540 -15.328 7.904 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.871 -17.110 6.652 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.423 -17.662 6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.030 -17.412 8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.313 -17.734 8.819 1.00 0.00 H new ATOM 411 N PHE A 56 9.911 -15.152 4.995 1.00 0.00 N ATOM 412 CA PHE A 56 11.183 -15.057 4.287 1.00 0.00 C ATOM 413 C PHE A 56 11.760 -13.645 4.365 1.00 0.00 C ATOM 414 O PHE A 56 12.970 -13.470 4.479 1.00 0.00 O ATOM 415 CB PHE A 56 11.003 -15.477 2.819 1.00 0.00 C ATOM 416 CG PHE A 56 11.917 -14.762 1.859 1.00 0.00 C ATOM 417 CD1 PHE A 56 13.293 -14.838 2.003 1.00 0.00 C ATOM 418 CD2 PHE A 56 11.397 -14.008 0.818 1.00 0.00 C ATOM 419 CE1 PHE A 56 14.133 -14.176 1.128 1.00 0.00 C ATOM 420 CE2 PHE A 56 12.233 -13.346 -0.060 1.00 0.00 C ATOM 421 CZ PHE A 56 13.602 -13.430 0.096 1.00 0.00 C ATOM 0 H PHE A 56 9.103 -14.836 4.458 1.00 0.00 H new ATOM 0 HA PHE A 56 11.888 -15.733 4.770 1.00 0.00 H new ATOM 0 HB2 PHE A 56 11.174 -16.550 2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.970 -15.295 2.524 1.00 0.00 H new ATOM 0 HD1 PHE A 56 13.714 -15.421 2.809 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.327 -13.938 0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.204 -14.242 1.252 1.00 0.00 H new ATOM 0 HE2 PHE A 56 11.816 -12.763 -0.868 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.257 -12.912 -0.589 1.00 0.00 H new ATOM 431 N VAL A 57 10.895 -12.643 4.282 1.00 0.00 N ATOM 432 CA VAL A 57 11.334 -11.251 4.321 1.00 0.00 C ATOM 433 C VAL A 57 11.663 -10.780 5.738 1.00 0.00 C ATOM 434 O VAL A 57 12.200 -9.688 5.918 1.00 0.00 O ATOM 435 CB VAL A 57 10.272 -10.312 3.714 1.00 0.00 C ATOM 436 CG1 VAL A 57 9.000 -10.323 4.548 1.00 0.00 C ATOM 437 CG2 VAL A 57 10.820 -8.897 3.583 1.00 0.00 C ATOM 0 H VAL A 57 9.887 -12.766 4.187 1.00 0.00 H new ATOM 0 HA VAL A 57 12.245 -11.208 3.725 1.00 0.00 H new ATOM 0 HB VAL A 57 10.025 -10.677 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.266 -9.653 4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.596 -11.335 4.582 1.00 0.00 H new ATOM 0 HG13 VAL A 57 9.226 -9.989 5.561 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.056 -8.249 3.153 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.101 -8.523 4.568 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.696 -8.905 2.935 1.00 0.00 H new ATOM 447 N SER A 58 11.332 -11.588 6.742 1.00 0.00 N ATOM 448 CA SER A 58 11.594 -11.208 8.128 1.00 0.00 C ATOM 449 C SER A 58 12.486 -12.220 8.845 1.00 0.00 C ATOM 450 O SER A 58 13.364 -11.840 9.621 1.00 0.00 O ATOM 451 CB SER A 58 10.276 -11.056 8.888 1.00 0.00 C ATOM 452 OG SER A 58 9.772 -9.736 8.776 1.00 0.00 O ATOM 0 H SER A 58 10.888 -12.499 6.625 1.00 0.00 H new ATOM 0 HA SER A 58 12.123 -10.255 8.108 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.544 -11.763 8.497 1.00 0.00 H new ATOM 0 HB3 SER A 58 10.428 -11.303 9.939 1.00 0.00 H new ATOM 0 HG SER A 58 9.020 -9.620 9.393 1.00 0.00 H new ATOM 458 N SER A 59 12.248 -13.504 8.605 1.00 0.00 N ATOM 459 CA SER A 59 13.025 -14.556 9.257 1.00 0.00 C ATOM 460 C SER A 59 14.255 -14.964 8.445 1.00 0.00 C ATOM 461 O SER A 59 15.101 -15.712 8.934 1.00 0.00 O ATOM 462 CB SER A 59 12.145 -15.782 9.509 1.00 0.00 C ATOM 463 OG SER A 59 10.820 -15.402 9.838 1.00 0.00 O ATOM 0 H SER A 59 11.527 -13.843 7.967 1.00 0.00 H new ATOM 0 HA SER A 59 13.378 -14.150 10.205 1.00 0.00 H new ATOM 0 HB2 SER A 59 12.135 -16.415 8.621 1.00 0.00 H new ATOM 0 HB3 SER A 59 12.568 -16.376 10.319 1.00 0.00 H new ATOM 0 HG SER A 59 10.278 -16.204 9.992 1.00 0.00 H new ATOM 469 N GLN A 60 14.355 -14.488 7.207 1.00 0.00 N ATOM 470 CA GLN A 60 15.491 -14.838 6.358 1.00 0.00 C ATOM 471 C GLN A 60 16.142 -13.601 5.743 1.00 0.00 C ATOM 472 O GLN A 60 17.314 -13.317 5.994 1.00 0.00 O ATOM 473 CB GLN A 60 15.043 -15.792 5.250 1.00 0.00 C ATOM 474 CG GLN A 60 14.525 -17.124 5.769 1.00 0.00 C ATOM 475 CD GLN A 60 14.912 -18.288 4.877 1.00 0.00 C ATOM 476 OE1 GLN A 60 15.991 -18.298 4.284 1.00 0.00 O ATOM 477 NE2 GLN A 60 14.030 -19.276 4.777 1.00 0.00 N ATOM 0 H GLN A 60 13.673 -13.866 6.773 1.00 0.00 H new ATOM 0 HA GLN A 60 16.234 -15.329 6.987 1.00 0.00 H new ATOM 0 HB2 GLN A 60 14.261 -15.311 4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 60 15.881 -15.974 4.578 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.915 -17.295 6.773 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.439 -17.080 5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.148 -19.226 5.287 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.235 -20.085 4.191 1.00 0.00 H new ATOM 486 N ALA A 61 15.380 -12.881 4.927 1.00 0.00 N ATOM 487 CA ALA A 61 15.875 -11.680 4.256 1.00 0.00 C ATOM 488 C ALA A 61 16.708 -10.804 5.192 1.00 0.00 C ATOM 489 O ALA A 61 16.490 -10.790 6.403 1.00 0.00 O ATOM 490 CB ALA A 61 14.711 -10.886 3.682 1.00 0.00 C ATOM 0 H ALA A 61 14.409 -13.109 4.712 1.00 0.00 H new ATOM 0 HA ALA A 61 16.529 -12.000 3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 61 15.090 -9.993 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 61 14.171 -11.501 2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.037 -10.594 4.488 1.00 0.00 H new ATOM 496 N PRO A 62 17.681 -10.061 4.634 1.00 0.00 N ATOM 497 CA PRO A 62 18.555 -9.179 5.416 1.00 0.00 C ATOM 498 C PRO A 62 17.827 -7.941 5.928 1.00 0.00 C ATOM 499 O PRO A 62 16.776 -7.567 5.408 1.00 0.00 O ATOM 500 CB PRO A 62 19.642 -8.783 4.417 1.00 0.00 C ATOM 501 CG PRO A 62 18.985 -8.888 3.085 1.00 0.00 C ATOM 502 CD PRO A 62 18.006 -10.025 3.195 1.00 0.00 C ATOM 0 HA PRO A 62 18.935 -9.673 6.310 1.00 0.00 H new ATOM 0 HB2 PRO A 62 20.001 -7.771 4.603 1.00 0.00 H new ATOM 0 HB3 PRO A 62 20.505 -9.446 4.487 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.477 -7.959 2.826 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.719 -9.079 2.302 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.118 -9.851 2.587 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.443 -10.965 2.858 1.00 0.00 H new ATOM 510 N GLN A 63 18.395 -7.309 6.954 1.00 0.00 N ATOM 511 CA GLN A 63 17.805 -6.109 7.543 1.00 0.00 C ATOM 512 C GLN A 63 17.379 -5.115 6.465 1.00 0.00 C ATOM 513 O GLN A 63 16.302 -4.525 6.544 1.00 0.00 O ATOM 514 CB GLN A 63 18.799 -5.446 8.498 1.00 0.00 C ATOM 515 CG GLN A 63 18.161 -4.429 9.432 1.00 0.00 C ATOM 516 CD GLN A 63 18.272 -4.826 10.892 1.00 0.00 C ATOM 517 OE1 GLN A 63 19.371 -4.945 11.433 1.00 0.00 O ATOM 518 NE2 GLN A 63 17.130 -5.034 11.537 1.00 0.00 N ATOM 0 H GLN A 63 19.265 -7.609 7.395 1.00 0.00 H new ATOM 0 HA GLN A 63 16.917 -6.411 8.099 1.00 0.00 H new ATOM 0 HB2 GLN A 63 19.287 -6.217 9.093 1.00 0.00 H new ATOM 0 HB3 GLN A 63 19.577 -4.953 7.915 1.00 0.00 H new ATOM 0 HG2 GLN A 63 18.637 -3.459 9.286 1.00 0.00 H new ATOM 0 HG3 GLN A 63 17.109 -4.311 9.171 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.241 -4.924 11.049 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.142 -5.304 12.521 1.00 0.00 H new ATOM 527 N SER A 64 18.229 -4.939 5.458 1.00 0.00 N ATOM 528 CA SER A 64 17.939 -4.020 4.363 1.00 0.00 C ATOM 529 C SER A 64 16.598 -4.355 3.715 1.00 0.00 C ATOM 530 O SER A 64 15.893 -3.472 3.225 1.00 0.00 O ATOM 531 CB SER A 64 19.053 -4.073 3.315 1.00 0.00 C ATOM 532 OG SER A 64 19.358 -2.778 2.828 1.00 0.00 O ATOM 0 H SER A 64 19.124 -5.421 5.378 1.00 0.00 H new ATOM 0 HA SER A 64 17.884 -3.011 4.772 1.00 0.00 H new ATOM 0 HB2 SER A 64 19.946 -4.520 3.752 1.00 0.00 H new ATOM 0 HB3 SER A 64 18.748 -4.713 2.487 1.00 0.00 H new ATOM 0 HG SER A 64 20.074 -2.839 2.161 1.00 0.00 H new ATOM 538 N LEU A 65 16.253 -5.637 3.721 1.00 0.00 N ATOM 539 CA LEU A 65 14.999 -6.094 3.139 1.00 0.00 C ATOM 540 C LEU A 65 13.855 -5.961 4.140 1.00 0.00 C ATOM 541 O LEU A 65 12.701 -5.764 3.758 1.00 0.00 O ATOM 542 CB LEU A 65 15.129 -7.548 2.681 1.00 0.00 C ATOM 543 CG LEU A 65 14.424 -7.879 1.365 1.00 0.00 C ATOM 544 CD1 LEU A 65 12.934 -7.597 1.474 1.00 0.00 C ATOM 545 CD2 LEU A 65 15.037 -7.089 0.218 1.00 0.00 C ATOM 0 H LEU A 65 16.826 -6.379 4.123 1.00 0.00 H new ATOM 0 HA LEU A 65 14.775 -5.467 2.276 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.187 -7.787 2.578 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.730 -8.196 3.462 1.00 0.00 H new ATOM 0 HG LEU A 65 14.558 -8.941 1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.448 -7.838 0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.505 -8.208 2.269 1.00 0.00 H new ATOM 0 HD13 LEU A 65 12.779 -6.543 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.523 -7.337 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.934 -6.022 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 65 16.093 -7.341 0.126 1.00 0.00 H new ATOM 557 N ARG A 66 14.183 -6.072 5.423 1.00 0.00 N ATOM 558 CA ARG A 66 13.184 -5.968 6.480 1.00 0.00 C ATOM 559 C ARG A 66 12.787 -4.515 6.730 1.00 0.00 C ATOM 560 O ARG A 66 11.602 -4.185 6.765 1.00 0.00 O ATOM 561 CB ARG A 66 13.715 -6.593 7.771 1.00 0.00 C ATOM 562 CG ARG A 66 14.078 -8.062 7.628 1.00 0.00 C ATOM 563 CD ARG A 66 14.965 -8.531 8.770 1.00 0.00 C ATOM 564 NE ARG A 66 15.413 -9.909 8.587 1.00 0.00 N ATOM 565 CZ ARG A 66 15.988 -10.635 9.543 1.00 0.00 C ATOM 566 NH1 ARG A 66 16.184 -10.119 10.750 1.00 0.00 N ATOM 567 NH2 ARG A 66 16.369 -11.880 9.292 1.00 0.00 N ATOM 0 H ARG A 66 15.133 -6.234 5.756 1.00 0.00 H new ATOM 0 HA ARG A 66 12.296 -6.510 6.155 1.00 0.00 H new ATOM 0 HB2 ARG A 66 14.595 -6.039 8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.963 -6.487 8.553 1.00 0.00 H new ATOM 0 HG2 ARG A 66 13.168 -8.662 7.603 1.00 0.00 H new ATOM 0 HG3 ARG A 66 14.591 -8.220 6.679 1.00 0.00 H new ATOM 0 HD2 ARG A 66 15.832 -7.875 8.848 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.419 -8.450 9.710 1.00 0.00 H new ATOM 0 HE ARG A 66 15.277 -10.340 7.673 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.894 -9.162 10.949 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.625 -10.680 11.479 1.00 0.00 H new ATOM 0 HH21 ARG A 66 16.221 -12.282 8.366 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.810 -12.436 10.025 1.00 0.00 H new ATOM 581 N ASN A 67 13.780 -3.649 6.910 1.00 0.00 N ATOM 582 CA ASN A 67 13.516 -2.237 7.162 1.00 0.00 C ATOM 583 C ASN A 67 12.778 -1.600 5.987 1.00 0.00 C ATOM 584 O ASN A 67 11.882 -0.779 6.182 1.00 0.00 O ATOM 585 CB ASN A 67 14.818 -1.482 7.441 1.00 0.00 C ATOM 586 CG ASN A 67 15.913 -1.816 6.450 1.00 0.00 C ATOM 587 OD1 ASN A 67 15.652 -2.358 5.377 1.00 0.00 O ATOM 588 ND2 ASN A 67 17.151 -1.492 6.807 1.00 0.00 N ATOM 0 H ASN A 67 14.769 -3.898 6.886 1.00 0.00 H new ATOM 0 HA ASN A 67 12.880 -2.170 8.044 1.00 0.00 H new ATOM 0 HB2 ASN A 67 14.624 -0.410 7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 67 15.161 -1.718 8.448 1.00 0.00 H new ATOM 0 HD21 ASN A 67 17.931 -1.692 6.181 1.00 0.00 H new ATOM 0 HD22 ASN A 67 17.321 -1.043 7.707 1.00 0.00 H new ATOM 595 N ARG A 68 13.153 -1.984 4.769 1.00 0.00 N ATOM 596 CA ARG A 68 12.511 -1.443 3.575 1.00 0.00 C ATOM 597 C ARG A 68 11.073 -1.943 3.458 1.00 0.00 C ATOM 598 O ARG A 68 10.221 -1.280 2.866 1.00 0.00 O ATOM 599 CB ARG A 68 13.303 -1.820 2.320 1.00 0.00 C ATOM 600 CG ARG A 68 13.272 -3.297 1.993 1.00 0.00 C ATOM 601 CD ARG A 68 14.158 -3.603 0.802 1.00 0.00 C ATOM 602 NE ARG A 68 13.905 -2.698 -0.317 1.00 0.00 N ATOM 603 CZ ARG A 68 12.885 -2.831 -1.162 1.00 0.00 C ATOM 604 NH1 ARG A 68 12.021 -3.828 -1.020 1.00 0.00 N ATOM 605 NH2 ARG A 68 12.729 -1.963 -2.153 1.00 0.00 N ATOM 0 H ARG A 68 13.892 -2.662 4.584 1.00 0.00 H new ATOM 0 HA ARG A 68 12.493 -0.357 3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.907 -1.262 1.472 1.00 0.00 H new ATOM 0 HB3 ARG A 68 14.340 -1.509 2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.605 -3.872 2.857 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.249 -3.605 1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.204 -3.528 1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.991 -4.631 0.481 1.00 0.00 H new ATOM 0 HE ARG A 68 14.548 -1.919 -0.459 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.136 -4.498 -0.260 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.242 -3.924 -1.671 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.390 -1.195 -2.267 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.948 -2.064 -2.801 1.00 0.00 H new ATOM 619 N TYR A 69 10.809 -3.116 4.029 1.00 0.00 N ATOM 620 CA TYR A 69 9.475 -3.706 3.993 1.00 0.00 C ATOM 621 C TYR A 69 8.453 -2.773 4.638 1.00 0.00 C ATOM 622 O TYR A 69 7.487 -2.357 3.999 1.00 0.00 O ATOM 623 CB TYR A 69 9.479 -5.059 4.712 1.00 0.00 C ATOM 624 CG TYR A 69 8.129 -5.743 4.756 1.00 0.00 C ATOM 625 CD1 TYR A 69 7.102 -5.248 5.551 1.00 0.00 C ATOM 626 CD2 TYR A 69 7.884 -6.889 4.008 1.00 0.00 C ATOM 627 CE1 TYR A 69 5.871 -5.874 5.598 1.00 0.00 C ATOM 628 CE2 TYR A 69 6.656 -7.520 4.051 1.00 0.00 C ATOM 629 CZ TYR A 69 5.653 -7.009 4.847 1.00 0.00 C ATOM 630 OH TYR A 69 4.428 -7.635 4.894 1.00 0.00 O ATOM 0 H TYR A 69 11.503 -3.677 4.523 1.00 0.00 H new ATOM 0 HA TYR A 69 9.194 -3.857 2.951 1.00 0.00 H new ATOM 0 HB2 TYR A 69 10.192 -5.719 4.217 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.834 -4.914 5.732 1.00 0.00 H new ATOM 0 HD1 TYR A 69 7.269 -4.359 6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.667 -7.293 3.383 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.083 -5.476 6.220 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.482 -8.410 3.464 1.00 0.00 H new ATOM 0 HH TYR A 69 3.729 -6.972 5.072 1.00 0.00 H new ATOM 640 N ASN A 70 8.673 -2.452 5.909 1.00 0.00 N ATOM 641 CA ASN A 70 7.770 -1.572 6.642 1.00 0.00 C ATOM 642 C ASN A 70 7.886 -0.131 6.153 1.00 0.00 C ATOM 643 O ASN A 70 6.933 0.642 6.245 1.00 0.00 O ATOM 644 CB ASN A 70 8.069 -1.638 8.141 1.00 0.00 C ATOM 645 CG ASN A 70 8.089 -3.060 8.664 1.00 0.00 C ATOM 646 OD1 ASN A 70 7.107 -3.793 8.542 1.00 0.00 O ATOM 647 ND2 ASN A 70 9.211 -3.460 9.251 1.00 0.00 N ATOM 0 H ASN A 70 9.468 -2.788 6.452 1.00 0.00 H new ATOM 0 HA ASN A 70 6.750 -1.913 6.463 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.033 -1.168 8.338 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.318 -1.065 8.684 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.283 -4.407 9.622 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.001 -2.820 9.331 1.00 0.00 H new ATOM 654 N ASN A 71 9.058 0.226 5.637 1.00 0.00 N ATOM 655 CA ASN A 71 9.293 1.578 5.139 1.00 0.00 C ATOM 656 C ASN A 71 8.289 1.944 4.048 1.00 0.00 C ATOM 657 O ASN A 71 7.520 2.895 4.193 1.00 0.00 O ATOM 658 CB ASN A 71 10.722 1.703 4.603 1.00 0.00 C ATOM 659 CG ASN A 71 11.538 2.726 5.368 1.00 0.00 C ATOM 660 OD1 ASN A 71 11.316 2.951 6.558 1.00 0.00 O ATOM 661 ND2 ASN A 71 12.490 3.353 4.687 1.00 0.00 N ATOM 0 H ASN A 71 9.859 -0.400 5.553 1.00 0.00 H new ATOM 0 HA ASN A 71 9.161 2.272 5.969 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.215 0.733 4.660 1.00 0.00 H new ATOM 0 HB3 ASN A 71 10.689 1.982 3.550 1.00 0.00 H new ATOM 0 HD21 ASN A 71 13.072 4.052 5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.640 3.136 3.702 1.00 0.00 H new ATOM 668 N LEU A 72 8.303 1.186 2.956 1.00 0.00 N ATOM 669 CA LEU A 72 7.393 1.437 1.843 1.00 0.00 C ATOM 670 C LEU A 72 5.940 1.398 2.306 1.00 0.00 C ATOM 671 O LEU A 72 5.097 2.139 1.799 1.00 0.00 O ATOM 672 CB LEU A 72 7.617 0.414 0.727 1.00 0.00 C ATOM 673 CG LEU A 72 7.466 -1.050 1.145 1.00 0.00 C ATOM 674 CD1 LEU A 72 5.999 -1.454 1.155 1.00 0.00 C ATOM 675 CD2 LEU A 72 8.266 -1.952 0.216 1.00 0.00 C ATOM 0 H LEU A 72 8.932 0.395 2.818 1.00 0.00 H new ATOM 0 HA LEU A 72 7.603 2.434 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.913 0.619 -0.079 1.00 0.00 H new ATOM 0 HB3 LEU A 72 8.618 0.558 0.320 1.00 0.00 H new ATOM 0 HG LEU A 72 7.858 -1.164 2.156 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.911 -2.498 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.454 -0.827 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.580 -1.326 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.148 -2.990 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.904 -1.835 -0.805 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.320 -1.677 0.261 1.00 0.00 H new ATOM 687 N TYR A 73 5.651 0.534 3.275 1.00 0.00 N ATOM 688 CA TYR A 73 4.297 0.411 3.801 1.00 0.00 C ATOM 689 C TYR A 73 3.959 1.586 4.711 1.00 0.00 C ATOM 690 O TYR A 73 2.810 2.022 4.776 1.00 0.00 O ATOM 691 CB TYR A 73 4.131 -0.905 4.563 1.00 0.00 C ATOM 692 CG TYR A 73 2.688 -1.248 4.866 1.00 0.00 C ATOM 693 CD1 TYR A 73 1.691 -1.037 3.921 1.00 0.00 C ATOM 694 CD2 TYR A 73 2.323 -1.780 6.096 1.00 0.00 C ATOM 695 CE1 TYR A 73 0.372 -1.347 4.193 1.00 0.00 C ATOM 696 CE2 TYR A 73 1.006 -2.094 6.376 1.00 0.00 C ATOM 697 CZ TYR A 73 0.035 -1.875 5.421 1.00 0.00 C ATOM 698 OH TYR A 73 -1.277 -2.185 5.696 1.00 0.00 O ATOM 0 H TYR A 73 6.333 -0.088 3.709 1.00 0.00 H new ATOM 0 HA TYR A 73 3.608 0.417 2.956 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.573 -1.712 3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.687 -0.847 5.499 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.951 -0.624 2.958 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.081 -1.951 6.846 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.391 -1.177 3.448 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.739 -2.508 7.337 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.344 -2.548 6.604 1.00 0.00 H new ATOM 708 N SER A 74 4.969 2.101 5.410 1.00 0.00 N ATOM 709 CA SER A 74 4.774 3.233 6.311 1.00 0.00 C ATOM 710 C SER A 74 4.101 4.389 5.579 1.00 0.00 C ATOM 711 O SER A 74 3.251 5.082 6.137 1.00 0.00 O ATOM 712 CB SER A 74 6.115 3.688 6.893 1.00 0.00 C ATOM 713 OG SER A 74 6.266 3.248 8.232 1.00 0.00 O ATOM 0 H SER A 74 5.927 1.753 5.369 1.00 0.00 H new ATOM 0 HA SER A 74 4.127 2.914 7.128 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.930 3.297 6.284 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.181 4.775 6.855 1.00 0.00 H new ATOM 0 HG SER A 74 7.131 3.550 8.580 1.00 0.00 H new ATOM 719 N HIS A 75 4.483 4.580 4.321 1.00 0.00 N ATOM 720 CA HIS A 75 3.913 5.641 3.501 1.00 0.00 C ATOM 721 C HIS A 75 2.578 5.202 2.906 1.00 0.00 C ATOM 722 O HIS A 75 1.731 6.031 2.575 1.00 0.00 O ATOM 723 CB HIS A 75 4.883 6.027 2.382 1.00 0.00 C ATOM 724 CG HIS A 75 5.783 7.170 2.738 1.00 0.00 C ATOM 725 ND1 HIS A 75 7.109 7.006 3.078 1.00 0.00 N ATOM 726 CD2 HIS A 75 5.541 8.501 2.803 1.00 0.00 C ATOM 727 CE1 HIS A 75 7.644 8.186 3.339 1.00 0.00 C ATOM 728 NE2 HIS A 75 6.714 9.109 3.178 1.00 0.00 N ATOM 0 H HIS A 75 5.186 4.013 3.847 1.00 0.00 H new ATOM 0 HA HIS A 75 3.742 6.510 4.136 1.00 0.00 H new ATOM 0 HB2 HIS A 75 5.493 5.161 2.126 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.312 6.289 1.491 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.601 8.992 2.598 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.668 8.365 3.634 1.00 0.00 H new ATOM 0 HE2 HIS A 75 6.845 10.112 3.311 1.00 0.00 H new ATOM 737 N THR A 76 2.398 3.890 2.772 1.00 0.00 N ATOM 738 CA THR A 76 1.168 3.337 2.218 1.00 0.00 C ATOM 739 C THR A 76 0.013 3.469 3.208 1.00 0.00 C ATOM 740 O THR A 76 -1.106 3.818 2.829 1.00 0.00 O ATOM 741 CB THR A 76 1.374 1.865 1.850 1.00 0.00 C ATOM 742 OG1 THR A 76 2.325 1.738 0.808 1.00 0.00 O ATOM 743 CG2 THR A 76 0.106 1.171 1.400 1.00 0.00 C ATOM 0 H THR A 76 3.090 3.191 3.040 1.00 0.00 H new ATOM 0 HA THR A 76 0.915 3.901 1.320 1.00 0.00 H new ATOM 0 HB THR A 76 1.722 1.387 2.766 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.226 1.877 1.168 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.327 0.132 1.156 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.632 1.206 2.201 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.291 1.674 0.519 1.00 0.00 H new ATOM 751 N GLN A 77 0.289 3.178 4.475 1.00 0.00 N ATOM 752 CA GLN A 77 -0.729 3.256 5.517 1.00 0.00 C ATOM 753 C GLN A 77 -1.160 4.699 5.764 1.00 0.00 C ATOM 754 O GLN A 77 -2.345 4.979 5.948 1.00 0.00 O ATOM 755 CB GLN A 77 -0.206 2.639 6.815 1.00 0.00 C ATOM 756 CG GLN A 77 1.036 3.326 7.358 1.00 0.00 C ATOM 757 CD GLN A 77 1.755 2.493 8.401 1.00 0.00 C ATOM 758 OE1 GLN A 77 1.897 1.279 8.252 1.00 0.00 O ATOM 759 NE2 GLN A 77 2.212 3.142 9.466 1.00 0.00 N ATOM 0 H GLN A 77 1.209 2.886 4.805 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.599 2.695 5.177 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -0.992 2.679 7.569 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.017 1.586 6.643 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.718 3.539 6.535 1.00 0.00 H new ATOM 0 HG3 GLN A 77 0.755 4.284 7.795 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.072 4.149 9.548 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.703 2.633 10.201 1.00 0.00 H new ATOM 768 N ARG A 78 -0.193 5.610 5.774 1.00 0.00 N ATOM 769 CA ARG A 78 -0.477 7.022 6.006 1.00 0.00 C ATOM 770 C ARG A 78 -1.124 7.668 4.783 1.00 0.00 C ATOM 771 O ARG A 78 -1.766 8.713 4.892 1.00 0.00 O ATOM 772 CB ARG A 78 0.808 7.768 6.373 1.00 0.00 C ATOM 773 CG ARG A 78 1.838 7.794 5.256 1.00 0.00 C ATOM 774 CD ARG A 78 1.823 9.119 4.510 1.00 0.00 C ATOM 775 NE ARG A 78 3.115 9.798 4.572 1.00 0.00 N ATOM 776 CZ ARG A 78 3.399 10.915 3.907 1.00 0.00 C ATOM 777 NH1 ARG A 78 2.485 11.482 3.128 1.00 0.00 N ATOM 778 NH2 ARG A 78 4.599 11.467 4.019 1.00 0.00 N ATOM 0 H ARG A 78 0.793 5.397 5.624 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.181 7.088 6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.557 8.792 6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.250 7.301 7.253 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.831 7.621 5.672 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.639 6.981 4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.555 8.945 3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.054 9.765 4.934 1.00 0.00 H new ATOM 0 HE ARG A 78 3.843 9.392 5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.560 11.061 3.037 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.708 12.338 2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.305 11.035 4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.816 12.323 3.509 1.00 0.00 H new ATOM 792 N THR A 79 -0.952 7.047 3.619 1.00 0.00 N ATOM 793 CA THR A 79 -1.523 7.574 2.384 1.00 0.00 C ATOM 794 C THR A 79 -3.001 7.213 2.264 1.00 0.00 C ATOM 795 O THR A 79 -3.844 8.083 2.045 1.00 0.00 O ATOM 796 CB THR A 79 -0.758 7.043 1.171 1.00 0.00 C ATOM 797 OG1 THR A 79 -0.400 5.686 1.357 1.00 0.00 O ATOM 798 CG2 THR A 79 0.509 7.818 0.881 1.00 0.00 C ATOM 0 H THR A 79 -0.424 6.182 3.506 1.00 0.00 H new ATOM 0 HA THR A 79 -1.435 8.660 2.413 1.00 0.00 H new ATOM 0 HB THR A 79 -1.438 7.157 0.327 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.488 5.635 1.769 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.005 7.391 0.009 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.260 8.861 0.683 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.175 7.761 1.742 1.00 0.00 H new ATOM 806 N LEU A 80 -3.311 5.928 2.408 1.00 0.00 N ATOM 807 CA LEU A 80 -4.691 5.461 2.315 1.00 0.00 C ATOM 808 C LEU A 80 -5.587 6.214 3.295 1.00 0.00 C ATOM 809 O LEU A 80 -6.749 6.494 3.001 1.00 0.00 O ATOM 810 CB LEU A 80 -4.772 3.959 2.595 1.00 0.00 C ATOM 811 CG LEU A 80 -3.923 3.074 1.679 1.00 0.00 C ATOM 812 CD1 LEU A 80 -3.613 1.750 2.357 1.00 0.00 C ATOM 813 CD2 LEU A 80 -4.636 2.847 0.359 1.00 0.00 C ATOM 0 H LEU A 80 -2.627 5.193 2.589 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.040 5.653 1.300 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.468 3.782 3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.813 3.647 2.511 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.980 3.583 1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.009 1.133 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.063 1.934 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.544 1.232 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.021 2.216 -0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.592 2.356 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.808 3.805 -0.131 1.00 0.00 H new ATOM 825 N ASP A 81 -5.035 6.539 4.460 1.00 0.00 N ATOM 826 CA ASP A 81 -5.780 7.260 5.488 1.00 0.00 C ATOM 827 C ASP A 81 -6.342 8.572 4.942 1.00 0.00 C ATOM 828 O ASP A 81 -7.326 9.098 5.459 1.00 0.00 O ATOM 829 CB ASP A 81 -4.880 7.537 6.695 1.00 0.00 C ATOM 830 CG ASP A 81 -5.410 6.905 7.968 1.00 0.00 C ATOM 831 OD1 ASP A 81 -6.525 7.273 8.394 1.00 0.00 O ATOM 832 OD2 ASP A 81 -4.709 6.043 8.539 1.00 0.00 O ATOM 0 H ASP A 81 -4.074 6.315 4.716 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.617 6.635 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.879 7.157 6.493 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -4.789 8.614 6.838 1.00 0.00 H new ATOM 837 N MET A 82 -5.710 9.094 3.896 1.00 0.00 N ATOM 838 CA MET A 82 -6.149 10.344 3.283 1.00 0.00 C ATOM 839 C MET A 82 -7.320 10.116 2.327 1.00 0.00 C ATOM 840 O MET A 82 -7.829 11.062 1.725 1.00 0.00 O ATOM 841 CB MET A 82 -4.988 11.000 2.534 1.00 0.00 C ATOM 842 CG MET A 82 -4.015 11.734 3.442 1.00 0.00 C ATOM 843 SD MET A 82 -2.772 12.663 2.522 1.00 0.00 S ATOM 844 CE MET A 82 -1.727 11.335 1.929 1.00 0.00 C ATOM 0 H MET A 82 -4.893 8.672 3.455 1.00 0.00 H new ATOM 0 HA MET A 82 -6.486 11.006 4.081 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.446 10.235 1.978 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.389 11.701 1.802 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.569 12.416 4.086 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.518 11.014 4.092 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.962 11.742 1.268 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.250 10.841 2.776 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.332 10.613 1.382 1.00 0.00 H new ATOM 854 N ALA A 83 -7.742 8.861 2.185 1.00 0.00 N ATOM 855 CA ALA A 83 -8.849 8.526 1.296 1.00 0.00 C ATOM 856 C ALA A 83 -10.066 8.035 2.076 1.00 0.00 C ATOM 857 O ALA A 83 -11.197 8.141 1.603 1.00 0.00 O ATOM 858 CB ALA A 83 -8.411 7.477 0.285 1.00 0.00 C ATOM 0 H ALA A 83 -7.335 8.063 2.673 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.139 9.434 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.246 7.235 -0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -7.583 7.866 -0.307 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.090 6.577 0.810 1.00 0.00 H new ATOM 864 N ASP A 84 -9.830 7.496 3.268 1.00 0.00 N ATOM 865 CA ASP A 84 -10.913 6.987 4.105 1.00 0.00 C ATOM 866 C ASP A 84 -11.353 8.027 5.131 1.00 0.00 C ATOM 867 O ASP A 84 -11.709 7.687 6.260 1.00 0.00 O ATOM 868 CB ASP A 84 -10.473 5.707 4.818 1.00 0.00 C ATOM 869 CG ASP A 84 -11.641 4.799 5.151 1.00 0.00 C ATOM 870 OD1 ASP A 84 -12.137 4.109 4.236 1.00 0.00 O ATOM 871 OD2 ASP A 84 -12.061 4.779 6.328 1.00 0.00 O ATOM 0 H ASP A 84 -8.900 7.400 3.676 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.761 6.765 3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.766 5.168 4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.947 5.968 5.736 1.00 0.00 H new ATOM 876 N MET A 85 -11.324 9.297 4.736 1.00 0.00 N ATOM 877 CA MET A 85 -11.718 10.383 5.631 1.00 0.00 C ATOM 878 C MET A 85 -12.706 11.336 4.963 1.00 0.00 C ATOM 879 O MET A 85 -13.760 11.642 5.522 1.00 0.00 O ATOM 880 CB MET A 85 -10.484 11.157 6.096 1.00 0.00 C ATOM 881 CG MET A 85 -9.629 10.390 7.091 1.00 0.00 C ATOM 882 SD MET A 85 -8.317 11.399 7.804 1.00 0.00 S ATOM 883 CE MET A 85 -8.698 11.262 9.549 1.00 0.00 C ATOM 0 H MET A 85 -11.033 9.599 3.806 1.00 0.00 H new ATOM 0 HA MET A 85 -12.214 9.936 6.492 1.00 0.00 H new ATOM 0 HB2 MET A 85 -9.877 11.413 5.228 1.00 0.00 H new ATOM 0 HB3 MET A 85 -10.803 12.095 6.550 1.00 0.00 H new ATOM 0 HG2 MET A 85 -10.264 10.008 7.891 1.00 0.00 H new ATOM 0 HG3 MET A 85 -9.188 9.526 6.594 1.00 0.00 H new ATOM 0 HE1 MET A 85 -7.972 11.835 10.126 1.00 0.00 H new ATOM 0 HE2 MET A 85 -9.699 11.652 9.735 1.00 0.00 H new ATOM 0 HE3 MET A 85 -8.656 10.215 9.850 1.00 0.00 H new ATOM 893 N GLN A 86 -12.346 11.813 3.772 1.00 0.00 N ATOM 894 CA GLN A 86 -13.181 12.751 3.015 1.00 0.00 C ATOM 895 C GLN A 86 -14.671 12.437 3.156 1.00 0.00 C ATOM 896 O GLN A 86 -15.415 13.190 3.784 1.00 0.00 O ATOM 897 CB GLN A 86 -12.784 12.732 1.538 1.00 0.00 C ATOM 898 CG GLN A 86 -11.837 13.855 1.150 1.00 0.00 C ATOM 899 CD GLN A 86 -12.554 15.173 0.937 1.00 0.00 C ATOM 900 OE1 GLN A 86 -13.782 15.221 0.866 1.00 0.00 O ATOM 901 NE2 GLN A 86 -11.788 16.253 0.834 1.00 0.00 N ATOM 0 H GLN A 86 -11.474 11.564 3.305 1.00 0.00 H new ATOM 0 HA GLN A 86 -13.013 13.745 3.429 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.314 11.776 1.309 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -13.684 12.799 0.927 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.085 13.977 1.929 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -11.309 13.581 0.237 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -10.774 16.167 0.899 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.214 17.169 0.690 1.00 0.00 H new ATOM 910 N HIS A 87 -15.096 11.327 2.562 1.00 0.00 N ATOM 911 CA HIS A 87 -16.500 10.915 2.617 1.00 0.00 C ATOM 912 C HIS A 87 -16.918 10.577 4.046 1.00 0.00 C ATOM 913 O HIS A 87 -17.125 9.411 4.383 1.00 0.00 O ATOM 914 CB HIS A 87 -16.761 9.711 1.702 1.00 0.00 C ATOM 915 CG HIS A 87 -15.546 8.887 1.417 1.00 0.00 C ATOM 916 ND1 HIS A 87 -14.859 8.697 0.269 1.00 0.00 N flip ATOM 917 CD2 HIS A 87 -14.886 8.157 2.382 1.00 0.00 C flip ATOM 918 CE1 HIS A 87 -13.807 7.865 0.556 1.00 0.00 C flip ATOM 919 NE2 HIS A 87 -13.845 7.555 1.838 1.00 0.00 N flip ATOM 0 H HIS A 87 -14.492 10.695 2.037 1.00 0.00 H new ATOM 0 HA HIS A 87 -17.098 11.756 2.266 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -17.518 9.076 2.162 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -17.175 10.068 0.759 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -15.082 9.098 -0.642 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -15.175 8.088 3.420 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -13.068 7.520 -0.152 1.00 0.00 H new ATOM 1110 N LEU A 101 -5.246 17.587 -0.396 1.00 0.00 N ATOM 1111 CA LEU A 101 -5.803 17.404 -1.732 1.00 0.00 C ATOM 1112 C LEU A 101 -6.407 16.009 -1.880 1.00 0.00 C ATOM 1113 O LEU A 101 -5.772 15.013 -1.534 1.00 0.00 O ATOM 1114 CB LEU A 101 -4.724 17.618 -2.794 1.00 0.00 C ATOM 1115 CG LEU A 101 -3.788 18.802 -2.541 1.00 0.00 C ATOM 1116 CD1 LEU A 101 -2.388 18.493 -3.049 1.00 0.00 C ATOM 1117 CD2 LEU A 101 -4.332 20.059 -3.202 1.00 0.00 C ATOM 0 HA LEU A 101 -6.592 18.143 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.125 16.711 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.210 17.759 -3.760 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.732 18.975 -1.466 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.736 19.346 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -1.998 17.617 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.425 18.294 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.655 20.892 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.417 19.897 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.315 20.290 -2.791 1.00 0.00 H new ATOM 1129 N PRO A 102 -7.646 15.911 -2.396 1.00 0.00 N ATOM 1130 CA PRO A 102 -8.322 14.622 -2.579 1.00 0.00 C ATOM 1131 C PRO A 102 -7.558 13.687 -3.513 1.00 0.00 C ATOM 1132 O PRO A 102 -7.799 12.479 -3.525 1.00 0.00 O ATOM 1133 CB PRO A 102 -9.676 14.999 -3.194 1.00 0.00 C ATOM 1134 CG PRO A 102 -9.863 16.442 -2.873 1.00 0.00 C ATOM 1135 CD PRO A 102 -8.485 17.039 -2.837 1.00 0.00 C ATOM 0 HA PRO A 102 -8.405 14.079 -1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.680 14.832 -4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.481 14.395 -2.775 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.481 16.932 -3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.368 16.567 -1.915 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.180 17.410 -3.816 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.427 17.879 -2.145 1.00 0.00 H new ATOM 1143 N HIS A 103 -6.641 14.246 -4.297 1.00 0.00 N ATOM 1144 CA HIS A 103 -5.853 13.450 -5.232 1.00 0.00 C ATOM 1145 C HIS A 103 -4.510 13.038 -4.626 1.00 0.00 C ATOM 1146 O HIS A 103 -3.817 12.175 -5.165 1.00 0.00 O ATOM 1147 CB HIS A 103 -5.632 14.223 -6.536 1.00 0.00 C ATOM 1148 CG HIS A 103 -4.572 15.280 -6.447 1.00 0.00 C ATOM 1149 ND1 HIS A 103 -4.832 16.577 -6.058 1.00 0.00 N ATOM 1150 CD2 HIS A 103 -3.243 15.224 -6.699 1.00 0.00 C ATOM 1151 CE1 HIS A 103 -3.709 17.273 -6.075 1.00 0.00 C ATOM 1152 NE2 HIS A 103 -2.731 16.475 -6.460 1.00 0.00 N ATOM 0 H HIS A 103 -6.426 15.243 -4.304 1.00 0.00 H new ATOM 0 HA HIS A 103 -6.414 12.541 -5.448 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -5.363 13.518 -7.323 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -6.571 14.689 -6.834 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -2.689 14.357 -7.027 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -3.609 18.317 -5.818 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -1.753 16.744 -6.563 1.00 0.00 H new ATOM 1161 N GLU A 104 -4.145 13.655 -3.506 1.00 0.00 N ATOM 1162 CA GLU A 104 -2.887 13.337 -2.842 1.00 0.00 C ATOM 1163 C GLU A 104 -2.851 11.870 -2.426 1.00 0.00 C ATOM 1164 O GLU A 104 -1.783 11.265 -2.334 1.00 0.00 O ATOM 1165 CB GLU A 104 -2.691 14.230 -1.615 1.00 0.00 C ATOM 1166 CG GLU A 104 -2.023 15.560 -1.930 1.00 0.00 C ATOM 1167 CD GLU A 104 -0.646 15.685 -1.305 1.00 0.00 C ATOM 1168 OE1 GLU A 104 -0.442 15.136 -0.202 1.00 0.00 O ATOM 1169 OE2 GLU A 104 0.227 16.333 -1.919 1.00 0.00 O ATOM 0 H GLU A 104 -4.700 14.374 -3.042 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.076 13.519 -3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -3.661 14.420 -1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -2.089 13.696 -0.880 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -1.939 15.673 -3.011 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -2.655 16.373 -1.573 1.00 0.00 H new ATOM 1176 N ASN A 105 -4.028 11.305 -2.173 1.00 0.00 N ATOM 1177 CA ASN A 105 -4.134 9.909 -1.763 1.00 0.00 C ATOM 1178 C ASN A 105 -4.010 8.967 -2.960 1.00 0.00 C ATOM 1179 O ASN A 105 -3.179 8.059 -2.959 1.00 0.00 O ATOM 1180 CB ASN A 105 -5.460 9.662 -1.036 1.00 0.00 C ATOM 1181 CG ASN A 105 -6.647 10.268 -1.759 1.00 0.00 C ATOM 1182 OD1 ASN A 105 -7.062 9.784 -2.812 1.00 0.00 O ATOM 1183 ND2 ASN A 105 -7.201 11.334 -1.194 1.00 0.00 N ATOM 0 H ASN A 105 -4.921 11.792 -2.245 1.00 0.00 H new ATOM 0 HA ASN A 105 -3.310 9.701 -1.080 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -5.615 8.589 -0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.401 10.079 -0.030 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.003 11.785 -1.633 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -6.824 11.702 -0.320 1.00 0.00 H new ATOM 1190 N VAL A 106 -4.841 9.184 -3.976 1.00 0.00 N ATOM 1191 CA VAL A 106 -4.822 8.344 -5.171 1.00 0.00 C ATOM 1192 C VAL A 106 -3.432 8.293 -5.799 1.00 0.00 C ATOM 1193 O VAL A 106 -2.942 7.222 -6.158 1.00 0.00 O ATOM 1194 CB VAL A 106 -5.837 8.831 -6.226 1.00 0.00 C ATOM 1195 CG1 VAL A 106 -7.248 8.811 -5.660 1.00 0.00 C ATOM 1196 CG2 VAL A 106 -5.480 10.224 -6.724 1.00 0.00 C ATOM 0 H VAL A 106 -5.534 9.932 -3.996 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.102 7.342 -4.847 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.796 8.148 -7.075 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -7.949 9.158 -6.419 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -7.507 7.794 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -7.301 9.466 -4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -6.211 10.543 -7.467 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -5.484 10.922 -5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.488 10.206 -7.176 1.00 0.00 H new ATOM 1206 N ASP A 107 -2.800 9.454 -5.930 1.00 0.00 N ATOM 1207 CA ASP A 107 -1.467 9.534 -6.516 1.00 0.00 C ATOM 1208 C ASP A 107 -0.465 8.739 -5.687 1.00 0.00 C ATOM 1209 O ASP A 107 0.235 7.868 -6.206 1.00 0.00 O ATOM 1210 CB ASP A 107 -1.018 10.993 -6.618 1.00 0.00 C ATOM 1211 CG ASP A 107 0.098 11.185 -7.627 1.00 0.00 C ATOM 1212 OD1 ASP A 107 0.830 10.209 -7.895 1.00 0.00 O ATOM 1213 OD2 ASP A 107 0.239 12.311 -8.148 1.00 0.00 O ATOM 0 H ASP A 107 -3.188 10.351 -5.639 1.00 0.00 H new ATOM 0 HA ASP A 107 -1.509 9.104 -7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -1.869 11.613 -6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.683 11.336 -5.639 1.00 0.00 H new ATOM 1218 N ASP A 108 -0.402 9.043 -4.397 1.00 0.00 N ATOM 1219 CA ASP A 108 0.513 8.358 -3.493 1.00 0.00 C ATOM 1220 C ASP A 108 0.154 6.880 -3.361 1.00 0.00 C ATOM 1221 O ASP A 108 0.999 6.059 -3.005 1.00 0.00 O ATOM 1222 CB ASP A 108 0.494 9.023 -2.116 1.00 0.00 C ATOM 1223 CG ASP A 108 1.868 9.064 -1.476 1.00 0.00 C ATOM 1224 OD1 ASP A 108 2.682 8.161 -1.761 1.00 0.00 O ATOM 1225 OD2 ASP A 108 2.129 9.999 -0.690 1.00 0.00 O ATOM 0 H ASP A 108 -0.975 9.761 -3.953 1.00 0.00 H new ATOM 0 HA ASP A 108 1.516 8.430 -3.913 1.00 0.00 H new ATOM 0 HB2 ASP A 108 0.110 10.039 -2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.192 8.482 -1.464 1.00 0.00 H new ATOM 1230 N MET A 109 -1.102 6.545 -3.647 1.00 0.00 N ATOM 1231 CA MET A 109 -1.559 5.163 -3.556 1.00 0.00 C ATOM 1232 C MET A 109 -0.874 4.295 -4.604 1.00 0.00 C ATOM 1233 O MET A 109 -0.150 3.357 -4.270 1.00 0.00 O ATOM 1234 CB MET A 109 -3.077 5.091 -3.724 1.00 0.00 C ATOM 1235 CG MET A 109 -3.795 4.569 -2.492 1.00 0.00 C ATOM 1236 SD MET A 109 -4.322 5.888 -1.385 1.00 0.00 S ATOM 1237 CE MET A 109 -6.094 5.636 -1.389 1.00 0.00 C ATOM 0 H MET A 109 -1.818 7.209 -3.942 1.00 0.00 H new ATOM 0 HA MET A 109 -1.295 4.783 -2.569 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.456 6.084 -3.963 1.00 0.00 H new ATOM 0 HB3 MET A 109 -3.311 4.448 -4.572 1.00 0.00 H new ATOM 0 HG2 MET A 109 -4.665 3.990 -2.801 1.00 0.00 H new ATOM 0 HG3 MET A 109 -3.135 3.889 -1.953 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.485 5.783 -0.382 1.00 0.00 H new ATOM 0 HE2 MET A 109 -6.561 6.350 -2.067 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.317 4.622 -1.720 1.00 0.00 H new ATOM 1247 N ARG A 110 -1.103 4.615 -5.873 1.00 0.00 N ATOM 1248 CA ARG A 110 -0.503 3.865 -6.972 1.00 0.00 C ATOM 1249 C ARG A 110 1.007 3.746 -6.785 1.00 0.00 C ATOM 1250 O ARG A 110 1.630 2.802 -7.270 1.00 0.00 O ATOM 1251 CB ARG A 110 -0.814 4.538 -8.310 1.00 0.00 C ATOM 1252 CG ARG A 110 -0.347 5.983 -8.388 1.00 0.00 C ATOM 1253 CD ARG A 110 0.262 6.301 -9.744 1.00 0.00 C ATOM 1254 NE ARG A 110 -0.738 6.304 -10.810 1.00 0.00 N ATOM 1255 CZ ARG A 110 -1.568 7.318 -11.046 1.00 0.00 C ATOM 1256 NH1 ARG A 110 -1.526 8.408 -10.290 1.00 0.00 N ATOM 1257 NH2 ARG A 110 -2.442 7.241 -12.040 1.00 0.00 N ATOM 0 H ARG A 110 -1.700 5.388 -6.167 1.00 0.00 H new ATOM 0 HA ARG A 110 -0.932 2.863 -6.973 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.343 3.969 -9.111 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.890 4.503 -8.484 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -1.190 6.649 -8.202 1.00 0.00 H new ATOM 0 HG3 ARG A 110 0.388 6.171 -7.605 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.749 7.275 -9.702 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.035 5.568 -9.975 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.804 5.481 -11.408 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.856 8.472 -9.524 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.164 9.182 -10.475 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -2.478 6.405 -12.624 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.078 8.018 -12.221 1.00 0.00 H new ATOM 1271 N SER A 111 1.588 4.707 -6.072 1.00 0.00 N ATOM 1272 CA SER A 111 3.023 4.705 -5.815 1.00 0.00 C ATOM 1273 C SER A 111 3.405 3.530 -4.922 1.00 0.00 C ATOM 1274 O SER A 111 4.460 2.919 -5.098 1.00 0.00 O ATOM 1275 CB SER A 111 3.447 6.020 -5.158 1.00 0.00 C ATOM 1276 OG SER A 111 2.708 7.112 -5.677 1.00 0.00 O ATOM 0 H SER A 111 1.087 5.496 -5.663 1.00 0.00 H new ATOM 0 HA SER A 111 3.542 4.603 -6.768 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.298 5.956 -4.080 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.511 6.186 -5.324 1.00 0.00 H new ATOM 0 HG SER A 111 1.758 6.993 -5.468 1.00 0.00 H new ATOM 1282 N ALA A 112 2.537 3.215 -3.965 1.00 0.00 N ATOM 1283 CA ALA A 112 2.781 2.109 -3.049 1.00 0.00 C ATOM 1284 C ALA A 112 2.888 0.792 -3.807 1.00 0.00 C ATOM 1285 O ALA A 112 3.800 -0.001 -3.568 1.00 0.00 O ATOM 1286 CB ALA A 112 1.676 2.032 -2.005 1.00 0.00 C ATOM 0 H ALA A 112 1.660 3.710 -3.805 1.00 0.00 H new ATOM 0 HA ALA A 112 3.729 2.288 -2.542 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.872 1.201 -1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.646 2.962 -1.438 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.717 1.878 -2.500 1.00 0.00 H new ATOM 1292 N ILE A 113 1.954 0.565 -4.725 1.00 0.00 N ATOM 1293 CA ILE A 113 1.950 -0.657 -5.519 1.00 0.00 C ATOM 1294 C ILE A 113 3.238 -0.784 -6.328 1.00 0.00 C ATOM 1295 O ILE A 113 3.693 -1.889 -6.618 1.00 0.00 O ATOM 1296 CB ILE A 113 0.721 -0.715 -6.460 1.00 0.00 C ATOM 1297 CG1 ILE A 113 0.154 -2.135 -6.502 1.00 0.00 C ATOM 1298 CG2 ILE A 113 1.071 -0.239 -7.866 1.00 0.00 C ATOM 1299 CD1 ILE A 113 -0.970 -2.365 -5.514 1.00 0.00 C ATOM 0 H ILE A 113 1.192 1.210 -4.937 1.00 0.00 H new ATOM 0 HA ILE A 113 1.888 -1.496 -4.826 1.00 0.00 H new ATOM 0 HB ILE A 113 -0.038 -0.041 -6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.209 -2.343 -7.508 1.00 0.00 H new ATOM 0 HG13 ILE A 113 0.956 -2.844 -6.299 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.186 -0.293 -8.499 1.00 0.00 H new ATOM 0 HG22 ILE A 113 1.425 0.791 -7.824 1.00 0.00 H new ATOM 0 HG23 ILE A 113 1.853 -0.874 -8.281 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -1.324 -3.392 -5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.606 -2.189 -4.502 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.790 -1.680 -5.730 1.00 0.00 H new ATOM 1311 N THR A 114 3.826 0.354 -6.684 1.00 0.00 N ATOM 1312 CA THR A 114 5.066 0.362 -7.451 1.00 0.00 C ATOM 1313 C THR A 114 6.171 -0.343 -6.673 1.00 0.00 C ATOM 1314 O THR A 114 6.977 -1.078 -7.244 1.00 0.00 O ATOM 1315 CB THR A 114 5.486 1.796 -7.776 1.00 0.00 C ATOM 1316 OG1 THR A 114 4.450 2.479 -8.460 1.00 0.00 O ATOM 1317 CG2 THR A 114 6.732 1.875 -8.631 1.00 0.00 C ATOM 0 H THR A 114 3.465 1.280 -6.454 1.00 0.00 H new ATOM 0 HA THR A 114 4.897 -0.171 -8.386 1.00 0.00 H new ATOM 0 HB THR A 114 5.696 2.261 -6.813 1.00 0.00 H new ATOM 0 HG1 THR A 114 3.689 2.609 -7.856 1.00 0.00 H new ATOM 0 HG21 THR A 114 6.975 2.920 -8.825 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.562 1.400 -8.109 1.00 0.00 H new ATOM 0 HG23 THR A 114 6.557 1.362 -9.577 1.00 0.00 H new ATOM 1325 N ASP A 115 6.193 -0.118 -5.364 1.00 0.00 N ATOM 1326 CA ASP A 115 7.188 -0.735 -4.497 1.00 0.00 C ATOM 1327 C ASP A 115 6.737 -2.129 -4.075 1.00 0.00 C ATOM 1328 O ASP A 115 7.528 -3.072 -4.056 1.00 0.00 O ATOM 1329 CB ASP A 115 7.430 0.133 -3.261 1.00 0.00 C ATOM 1330 CG ASP A 115 8.902 0.263 -2.924 1.00 0.00 C ATOM 1331 OD1 ASP A 115 9.693 0.589 -3.835 1.00 0.00 O ATOM 1332 OD2 ASP A 115 9.264 0.040 -1.750 1.00 0.00 O ATOM 0 H ASP A 115 5.531 0.489 -4.880 1.00 0.00 H new ATOM 0 HA ASP A 115 8.121 -0.822 -5.054 1.00 0.00 H new ATOM 0 HB2 ASP A 115 7.010 1.125 -3.429 1.00 0.00 H new ATOM 0 HB3 ASP A 115 6.902 -0.297 -2.410 1.00 0.00 H new ATOM 1337 N TRP A 116 5.455 -2.251 -3.742 1.00 0.00 N ATOM 1338 CA TRP A 116 4.892 -3.529 -3.325 1.00 0.00 C ATOM 1339 C TRP A 116 4.939 -4.534 -4.470 1.00 0.00 C ATOM 1340 O TRP A 116 5.401 -5.662 -4.301 1.00 0.00 O ATOM 1341 CB TRP A 116 3.451 -3.345 -2.848 1.00 0.00 C ATOM 1342 CG TRP A 116 3.351 -2.936 -1.411 1.00 0.00 C ATOM 1343 CD1 TRP A 116 3.339 -1.663 -0.919 1.00 0.00 C ATOM 1344 CD2 TRP A 116 3.253 -3.806 -0.277 1.00 0.00 C ATOM 1345 NE1 TRP A 116 3.238 -1.687 0.450 1.00 0.00 N ATOM 1346 CE2 TRP A 116 3.185 -2.991 0.869 1.00 0.00 C ATOM 1347 CE3 TRP A 116 3.215 -5.194 -0.120 1.00 0.00 C ATOM 1348 CZ2 TRP A 116 3.081 -3.520 2.153 1.00 0.00 C ATOM 1349 CZ3 TRP A 116 3.112 -5.717 1.155 1.00 0.00 C ATOM 1350 CH2 TRP A 116 3.046 -4.882 2.276 1.00 0.00 C ATOM 0 H TRP A 116 4.788 -1.480 -3.753 1.00 0.00 H new ATOM 0 HA TRP A 116 5.490 -3.914 -2.499 1.00 0.00 H new ATOM 0 HB2 TRP A 116 2.964 -2.592 -3.468 1.00 0.00 H new ATOM 0 HB3 TRP A 116 2.906 -4.278 -2.992 1.00 0.00 H new ATOM 0 HD1 TRP A 116 3.400 -0.767 -1.519 1.00 0.00 H new ATOM 0 HE1 TRP A 116 3.207 -0.868 1.057 1.00 0.00 H new ATOM 0 HE3 TRP A 116 3.265 -5.846 -0.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 3.030 -2.878 3.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 3.082 -6.788 1.289 1.00 0.00 H new ATOM 0 HH2 TRP A 116 2.966 -5.322 3.259 1.00 0.00 H new ATOM 1361 N SER A 117 4.463 -4.112 -5.638 1.00 0.00 N ATOM 1362 CA SER A 117 4.458 -4.972 -6.816 1.00 0.00 C ATOM 1363 C SER A 117 5.870 -5.455 -7.132 1.00 0.00 C ATOM 1364 O SER A 117 6.086 -6.631 -7.427 1.00 0.00 O ATOM 1365 CB SER A 117 3.881 -4.224 -8.020 1.00 0.00 C ATOM 1366 OG SER A 117 3.579 -5.117 -9.078 1.00 0.00 O ATOM 0 H SER A 117 4.076 -3.181 -5.793 1.00 0.00 H new ATOM 0 HA SER A 117 3.831 -5.838 -6.604 1.00 0.00 H new ATOM 0 HB2 SER A 117 2.979 -3.690 -7.722 1.00 0.00 H new ATOM 0 HB3 SER A 117 4.595 -3.476 -8.364 1.00 0.00 H new ATOM 0 HG SER A 117 3.210 -4.615 -9.835 1.00 0.00 H new ATOM 1372 N ASP A 118 6.829 -4.537 -7.061 1.00 0.00 N ATOM 1373 CA ASP A 118 8.224 -4.864 -7.331 1.00 0.00 C ATOM 1374 C ASP A 118 8.717 -5.943 -6.373 1.00 0.00 C ATOM 1375 O ASP A 118 9.516 -6.802 -6.746 1.00 0.00 O ATOM 1376 CB ASP A 118 9.097 -3.614 -7.203 1.00 0.00 C ATOM 1377 CG ASP A 118 10.474 -3.806 -7.808 1.00 0.00 C ATOM 1378 OD1 ASP A 118 11.105 -4.847 -7.528 1.00 0.00 O ATOM 1379 OD2 ASP A 118 10.921 -2.915 -8.561 1.00 0.00 O ATOM 0 H ASP A 118 6.665 -3.560 -6.818 1.00 0.00 H new ATOM 0 HA ASP A 118 8.295 -5.243 -8.350 1.00 0.00 H new ATOM 0 HB2 ASP A 118 8.601 -2.776 -7.693 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.199 -3.352 -6.150 1.00 0.00 H new ATOM 1384 N MET A 119 8.232 -5.893 -5.137 1.00 0.00 N ATOM 1385 CA MET A 119 8.619 -6.867 -4.124 1.00 0.00 C ATOM 1386 C MET A 119 7.999 -8.228 -4.421 1.00 0.00 C ATOM 1387 O MET A 119 8.592 -9.267 -4.134 1.00 0.00 O ATOM 1388 CB MET A 119 8.191 -6.391 -2.735 1.00 0.00 C ATOM 1389 CG MET A 119 9.020 -6.984 -1.606 1.00 0.00 C ATOM 1390 SD MET A 119 8.659 -6.229 -0.009 1.00 0.00 S ATOM 1391 CE MET A 119 10.315 -5.958 0.618 1.00 0.00 C ATOM 0 H MET A 119 7.570 -5.188 -4.813 1.00 0.00 H new ATOM 0 HA MET A 119 9.704 -6.966 -4.145 1.00 0.00 H new ATOM 0 HB2 MET A 119 8.262 -5.304 -2.695 1.00 0.00 H new ATOM 0 HB3 MET A 119 7.143 -6.648 -2.579 1.00 0.00 H new ATOM 0 HG2 MET A 119 8.833 -8.056 -1.547 1.00 0.00 H new ATOM 0 HG3 MET A 119 10.079 -6.857 -1.832 1.00 0.00 H new ATOM 0 HE1 MET A 119 10.456 -6.532 1.534 1.00 0.00 H new ATOM 0 HE2 MET A 119 11.043 -6.278 -0.127 1.00 0.00 H new ATOM 0 HE3 MET A 119 10.455 -4.898 0.830 1.00 0.00 H new ATOM 1401 N ARG A 120 6.803 -8.217 -5.001 1.00 0.00 N ATOM 1402 CA ARG A 120 6.108 -9.453 -5.340 1.00 0.00 C ATOM 1403 C ARG A 120 6.983 -10.344 -6.215 1.00 0.00 C ATOM 1404 O ARG A 120 7.031 -11.560 -6.031 1.00 0.00 O ATOM 1405 CB ARG A 120 4.793 -9.144 -6.059 1.00 0.00 C ATOM 1406 CG ARG A 120 3.697 -10.161 -5.786 1.00 0.00 C ATOM 1407 CD ARG A 120 2.447 -9.863 -6.597 1.00 0.00 C ATOM 1408 NE ARG A 120 1.239 -10.362 -5.944 1.00 0.00 N ATOM 1409 CZ ARG A 120 0.942 -11.653 -5.822 1.00 0.00 C ATOM 1410 NH1 ARG A 120 1.760 -12.579 -6.307 1.00 0.00 N ATOM 1411 NH2 ARG A 120 -0.177 -12.020 -5.212 1.00 0.00 N ATOM 0 H ARG A 120 6.296 -7.367 -5.246 1.00 0.00 H new ATOM 0 HA ARG A 120 5.890 -9.984 -4.414 1.00 0.00 H new ATOM 0 HB2 ARG A 120 4.445 -8.157 -5.754 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.977 -9.100 -7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.059 -11.161 -6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 120 3.452 -10.158 -4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 120 2.360 -8.787 -6.747 1.00 0.00 H new ATOM 0 HD3 ARG A 120 2.539 -10.316 -7.584 1.00 0.00 H new ATOM 0 HE ARG A 120 0.585 -9.680 -5.559 1.00 0.00 H new ATOM 0 HH11 ARG A 120 2.622 -12.302 -6.777 1.00 0.00 H new ATOM 0 HH12 ARG A 120 1.526 -13.567 -6.210 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -0.809 -11.313 -4.837 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -0.406 -13.010 -5.118 1.00 0.00 H new ATOM 1425 N GLU A 121 7.678 -9.728 -7.166 1.00 0.00 N ATOM 1426 CA GLU A 121 8.556 -10.461 -8.070 1.00 0.00 C ATOM 1427 C GLU A 121 9.928 -10.681 -7.438 1.00 0.00 C ATOM 1428 O GLU A 121 10.499 -11.767 -7.532 1.00 0.00 O ATOM 1429 CB GLU A 121 8.704 -9.708 -9.394 1.00 0.00 C ATOM 1430 CG GLU A 121 7.770 -10.206 -10.485 1.00 0.00 C ATOM 1431 CD GLU A 121 8.439 -10.261 -11.844 1.00 0.00 C ATOM 1432 OE1 GLU A 121 8.398 -9.244 -12.568 1.00 0.00 O ATOM 1433 OE2 GLU A 121 9.004 -11.322 -12.185 1.00 0.00 O ATOM 0 H GLU A 121 7.650 -8.722 -7.330 1.00 0.00 H new ATOM 0 HA GLU A 121 8.106 -11.435 -8.263 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.516 -8.648 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.734 -9.797 -9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.407 -11.200 -10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.899 -9.553 -10.539 1.00 0.00 H new ATOM 1440 N ALA A 122 10.452 -9.641 -6.796 1.00 0.00 N ATOM 1441 CA ALA A 122 11.757 -9.719 -6.150 1.00 0.00 C ATOM 1442 C ALA A 122 11.739 -10.709 -4.990 1.00 0.00 C ATOM 1443 O ALA A 122 12.522 -11.659 -4.958 1.00 0.00 O ATOM 1444 CB ALA A 122 12.188 -8.343 -5.665 1.00 0.00 C ATOM 0 H ALA A 122 9.992 -8.735 -6.710 1.00 0.00 H new ATOM 0 HA ALA A 122 12.478 -10.076 -6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 122 13.164 -8.416 -5.185 1.00 0.00 H new ATOM 0 HB2 ALA A 122 12.251 -7.661 -6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 122 11.458 -7.965 -4.949 1.00 0.00 H new ATOM 1450 N LEU A 123 10.841 -10.479 -4.038 1.00 0.00 N ATOM 1451 CA LEU A 123 10.717 -11.349 -2.873 1.00 0.00 C ATOM 1452 C LEU A 123 10.482 -12.797 -3.294 1.00 0.00 C ATOM 1453 O LEU A 123 11.085 -13.718 -2.744 1.00 0.00 O ATOM 1454 CB LEU A 123 9.571 -10.872 -1.978 1.00 0.00 C ATOM 1455 CG LEU A 123 9.799 -11.054 -0.477 1.00 0.00 C ATOM 1456 CD1 LEU A 123 10.961 -10.193 -0.005 1.00 0.00 C ATOM 1457 CD2 LEU A 123 8.533 -10.715 0.297 1.00 0.00 C ATOM 0 H LEU A 123 10.187 -9.696 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 123 11.652 -11.302 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 123 9.392 -9.815 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 123 8.664 -11.408 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 123 10.049 -12.098 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 123 11.108 -10.336 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 123 11.867 -10.481 -0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 123 10.741 -9.144 -0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 123 8.712 -10.850 1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 123 8.255 -9.679 0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 123 7.725 -11.373 -0.021 1.00 0.00 H new ATOM 1469 N GLN A 124 9.605 -12.989 -4.274 1.00 0.00 N ATOM 1470 CA GLN A 124 9.296 -14.326 -4.768 1.00 0.00 C ATOM 1471 C GLN A 124 10.548 -15.007 -5.312 1.00 0.00 C ATOM 1472 O GLN A 124 10.808 -16.175 -5.023 1.00 0.00 O ATOM 1473 CB GLN A 124 8.225 -14.255 -5.859 1.00 0.00 C ATOM 1474 CG GLN A 124 6.805 -14.298 -5.320 1.00 0.00 C ATOM 1475 CD GLN A 124 5.768 -14.430 -6.418 1.00 0.00 C ATOM 1476 OE1 GLN A 124 5.907 -15.253 -7.323 1.00 0.00 O ATOM 1477 NE2 GLN A 124 4.722 -13.616 -6.345 1.00 0.00 N ATOM 0 H GLN A 124 9.097 -12.238 -4.741 1.00 0.00 H new ATOM 0 HA GLN A 124 8.916 -14.916 -3.934 1.00 0.00 H new ATOM 0 HB2 GLN A 124 8.360 -13.337 -6.430 1.00 0.00 H new ATOM 0 HB3 GLN A 124 8.367 -15.085 -6.551 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.707 -15.137 -4.631 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.610 -13.391 -4.748 1.00 0.00 H new ATOM 0 HE21 GLN A 124 4.647 -12.949 -5.577 1.00 0.00 H new ATOM 0 HE22 GLN A 124 3.993 -13.658 -7.057 1.00 0.00 H new ATOM 1486 N HIS A 125 11.321 -14.267 -6.101 1.00 0.00 N ATOM 1487 CA HIS A 125 12.547 -14.799 -6.684 1.00 0.00 C ATOM 1488 C HIS A 125 13.598 -15.046 -5.608 1.00 0.00 C ATOM 1489 O HIS A 125 14.156 -16.139 -5.510 1.00 0.00 O ATOM 1490 CB HIS A 125 13.096 -13.834 -7.737 1.00 0.00 C ATOM 1491 CG HIS A 125 14.175 -14.429 -8.588 1.00 0.00 C ATOM 1492 ND1 HIS A 125 14.871 -15.584 -8.458 1.00 0.00 N flip ATOM 1493 CD2 HIS A 125 14.653 -13.823 -9.731 1.00 0.00 C flip ATOM 1494 CE1 HIS A 125 15.746 -15.652 -9.513 1.00 0.00 C flip ATOM 1495 NE2 HIS A 125 15.595 -14.579 -10.267 1.00 0.00 N flip ATOM 0 H HIS A 125 11.120 -13.299 -6.351 1.00 0.00 H new ATOM 0 HA HIS A 125 12.310 -15.750 -7.161 1.00 0.00 H new ATOM 0 HB2 HIS A 125 12.278 -13.505 -8.378 1.00 0.00 H new ATOM 0 HB3 HIS A 125 13.486 -12.947 -7.237 1.00 0.00 H new ATOM 0 HD1 HIS A 125 14.765 -16.274 -7.715 1.00 0.00 H new ATOM 0 HD2 HIS A 125 14.311 -12.878 -10.126 1.00 0.00 H new ATOM 0 HE1 HIS A 125 16.445 -16.454 -9.697 1.00 0.00 H new ATOM 1504 N ALA A 126 13.864 -14.022 -4.801 1.00 0.00 N ATOM 1505 CA ALA A 126 14.849 -14.127 -3.730 1.00 0.00 C ATOM 1506 C ALA A 126 14.520 -15.283 -2.791 1.00 0.00 C ATOM 1507 O ALA A 126 15.416 -15.918 -2.235 1.00 0.00 O ATOM 1508 CB ALA A 126 14.928 -12.820 -2.955 1.00 0.00 C ATOM 0 H ALA A 126 13.411 -13.111 -4.869 1.00 0.00 H new ATOM 0 HA ALA A 126 15.820 -14.327 -4.182 1.00 0.00 H new ATOM 0 HB1 ALA A 126 15.667 -12.913 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 126 15.220 -12.015 -3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 126 13.954 -12.595 -2.521 1.00 0.00 H new ATOM 1514 N MET A 127 13.230 -15.552 -2.620 1.00 0.00 N ATOM 1515 CA MET A 127 12.783 -16.634 -1.750 1.00 0.00 C ATOM 1516 C MET A 127 13.185 -17.989 -2.322 1.00 0.00 C ATOM 1517 O MET A 127 13.448 -18.935 -1.579 1.00 0.00 O ATOM 1518 CB MET A 127 11.266 -16.576 -1.567 1.00 0.00 C ATOM 1519 CG MET A 127 10.769 -17.356 -0.361 1.00 0.00 C ATOM 1520 SD MET A 127 9.056 -17.890 -0.536 1.00 0.00 S ATOM 1521 CE MET A 127 8.191 -16.349 -0.242 1.00 0.00 C ATOM 0 H MET A 127 12.476 -15.036 -3.072 1.00 0.00 H new ATOM 0 HA MET A 127 13.264 -16.510 -0.780 1.00 0.00 H new ATOM 0 HB2 MET A 127 10.960 -15.535 -1.467 1.00 0.00 H new ATOM 0 HB3 MET A 127 10.785 -16.965 -2.464 1.00 0.00 H new ATOM 0 HG2 MET A 127 11.404 -18.229 -0.211 1.00 0.00 H new ATOM 0 HG3 MET A 127 10.863 -16.737 0.531 1.00 0.00 H new ATOM 0 HE1 MET A 127 7.198 -16.559 0.155 1.00 0.00 H new ATOM 0 HE2 MET A 127 8.750 -15.750 0.477 1.00 0.00 H new ATOM 0 HE3 MET A 127 8.099 -15.799 -1.179 1.00 0.00 H new ATOM 1531 N GLY A 128 13.230 -18.075 -3.647 1.00 0.00 N ATOM 1532 CA GLY A 128 13.600 -19.318 -4.299 1.00 0.00 C ATOM 1533 C GLY A 128 12.568 -19.774 -5.312 1.00 0.00 C ATOM 1534 O GLY A 128 12.287 -20.967 -5.427 1.00 0.00 O ATOM 0 H GLY A 128 13.017 -17.306 -4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 128 14.561 -19.191 -4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 128 13.732 -20.094 -3.545 1.00 0.00 H new ATOM 1538 N ILE A 129 12.002 -18.822 -6.048 1.00 0.00 N ATOM 1539 CA ILE A 129 10.996 -19.133 -7.057 1.00 0.00 C ATOM 1540 C ILE A 129 11.354 -18.505 -8.399 1.00 0.00 C ATOM 1541 O ILE A 129 12.121 -17.544 -8.461 1.00 0.00 O ATOM 1542 CB ILE A 129 9.598 -18.643 -6.629 1.00 0.00 C ATOM 1543 CG1 ILE A 129 9.267 -19.137 -5.219 1.00 0.00 C ATOM 1544 CG2 ILE A 129 8.543 -19.112 -7.621 1.00 0.00 C ATOM 1545 CD1 ILE A 129 8.488 -18.136 -4.394 1.00 0.00 C ATOM 0 H ILE A 129 12.223 -17.830 -5.964 1.00 0.00 H new ATOM 0 HA ILE A 129 10.975 -20.218 -7.159 1.00 0.00 H new ATOM 0 HB ILE A 129 9.601 -17.553 -6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 129 8.693 -20.060 -5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 129 10.195 -19.379 -4.701 1.00 0.00 H new ATOM 0 HG21 ILE A 129 7.562 -18.758 -7.304 1.00 0.00 H new ATOM 0 HG22 ILE A 129 8.771 -18.714 -8.610 1.00 0.00 H new ATOM 0 HG23 ILE A 129 8.540 -20.201 -7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 129 8.289 -18.554 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 129 9.069 -17.220 -4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 129 7.544 -17.912 -4.890 1.00 0.00 H new