USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 815 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 84 MET CE :methyl 150:sc= -0.187 (180deg=-0.5) USER MOD Set 1.2: A 95 TYR OH : rot 30:sc= 0.39 USER MOD Set 2.1: A 77 LYS NZ :NH3+ -122:sc= 1.12 (180deg=-0.16) USER MOD Set 2.2: A 81 TYR OH : rot 180:sc= 1.05 USER MOD Set 3.1: A 75 ASN : amide:sc= -0.015 K(o=-0.25,f=-1.2) USER MOD Set 3.2: A 78 ASN :FLIP amide:sc= -0.233 F(o=-1.2,f=-0.25) USER MOD Set 4.1: A 23 CYS SG : rot -147:sc= -3.95! USER MOD Set 4.2: A 97 CYS SG : rot 170:sc= 0.268 USER MOD Set 5.1: A 18 SER OG : rot -34:sc= 0.832 USER MOD Set 5.2: A 85 ASN : amide:sc= 0.824 K(o=1.7,f=-2.6!) USER MOD Set 6.1: A 8 SER OG : rot 180:sc= 0.429 USER MOD Set 6.2: A 22 SER OG : rot 51:sc= 0.477 USER MOD Single : A 4 GLN :FLIP amide:sc=-0.00884 F(o=-0.85,f=-0.0088) USER MOD Single : A 14 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.2) USER MOD Single : A 26 SER OG : rot 174:sc= -0.894 USER MOD Single : A 29 THR OG1 : rot 85:sc= 0.167 USER MOD Single : A 32 SER OG : rot 180:sc= -0.697 USER MOD Single : A 33 ASN : amide:sc= 0.453 K(o=0.45,f=-6.3!) USER MOD Single : A 35 MET CE :methyl 168:sc= -2.28 (180deg=-2.55!) USER MOD Single : A 40 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.3) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 30:sc= -0.0971 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= -0.0399 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 147:sc= -0.84 (180deg=-2.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -1 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.141 K(o=0.14,f=-2.4!) USER MOD Single : A 86 SER OG : rot -50:sc= 0.117 USER MOD Single : A 88 LYS NZ :NH3+ -146:sc= 0.687 (180deg=0.176) USER MOD Single : A 92 THR OG1 : rot 87:sc= 0.402 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 GLN :FLIP amide:sc= -0.33 F(o=-3.2!,f=-0.33) USER MOD Single : A 117 THR OG1 : rot 170:sc= 0 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.93 F(o=-2.6!,f=-0.93) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= -0.101 USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 1.196 3.213 -5.128 1.00 0.00 N ATOM 38 CA LEU A 3 2.082 3.522 -6.263 1.00 0.00 C ATOM 39 C LEU A 3 2.129 5.055 -6.418 1.00 0.00 C ATOM 40 O LEU A 3 1.113 5.687 -6.734 1.00 0.00 O ATOM 41 CB LEU A 3 1.584 2.815 -7.569 1.00 0.00 C ATOM 42 CG LEU A 3 2.640 2.559 -8.707 1.00 0.00 C ATOM 43 CD1 LEU A 3 3.201 3.866 -9.314 1.00 0.00 C ATOM 44 CD2 LEU A 3 3.779 1.632 -8.218 1.00 0.00 C ATOM 0 HA LEU A 3 3.088 3.145 -6.078 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.154 1.854 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.777 3.415 -7.989 1.00 0.00 H new ATOM 0 HG LEU A 3 2.108 2.050 -9.511 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.924 3.624 -10.093 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.385 4.447 -9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.690 4.449 -8.534 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.492 1.474 -9.027 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.287 2.095 -7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.361 0.673 -7.911 1.00 0.00 H new ATOM 56 N GLN A 4 3.314 5.626 -6.166 1.00 0.00 N ATOM 57 CA GLN A 4 3.556 7.079 -6.197 1.00 0.00 C ATOM 58 C GLN A 4 4.306 7.458 -7.485 1.00 0.00 C ATOM 59 O GLN A 4 5.154 6.695 -7.954 1.00 0.00 O ATOM 60 CB GLN A 4 4.395 7.480 -4.959 1.00 0.00 C ATOM 61 CG GLN A 4 3.763 7.070 -3.609 1.00 0.00 C ATOM 62 CD GLN A 4 4.683 7.268 -2.402 1.00 0.00 C ATOM 63 OE1 GLN A 4 5.987 7.071 -2.581 1.00 0.00 O flip ATOM 64 NE2 GLN A 4 4.224 7.562 -1.299 1.00 0.00 N flip ATOM 0 H GLN A 4 4.146 5.085 -5.931 1.00 0.00 H new ATOM 0 HA GLN A 4 2.603 7.608 -6.178 1.00 0.00 H new ATOM 0 HB2 GLN A 4 5.382 7.024 -5.039 1.00 0.00 H new ATOM 0 HB3 GLN A 4 4.541 8.560 -4.967 1.00 0.00 H new ATOM 0 HG2 GLN A 4 2.852 7.648 -3.456 1.00 0.00 H new ATOM 0 HG3 GLN A 4 3.470 6.021 -3.661 1.00 0.00 H new ATOM 0 HE21 GLN A 4 3.221 7.708 -1.187 1.00 0.00 H new ATOM 0 HE22 GLN A 4 4.847 7.660 -0.497 1.00 0.00 H new ATOM 73 N LEU A 5 3.961 8.617 -8.066 1.00 0.00 N ATOM 74 CA LEU A 5 4.624 9.177 -9.261 1.00 0.00 C ATOM 75 C LEU A 5 4.944 10.664 -9.017 1.00 0.00 C ATOM 76 O LEU A 5 4.064 11.427 -8.588 1.00 0.00 O ATOM 77 CB LEU A 5 3.711 8.988 -10.503 1.00 0.00 C ATOM 78 CG LEU A 5 3.443 7.506 -10.931 1.00 0.00 C ATOM 79 CD1 LEU A 5 2.326 7.421 -11.986 1.00 0.00 C ATOM 80 CD2 LEU A 5 4.744 6.817 -11.425 1.00 0.00 C ATOM 0 H LEU A 5 3.203 9.203 -7.716 1.00 0.00 H new ATOM 0 HA LEU A 5 5.560 8.652 -9.451 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.753 9.468 -10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.161 9.514 -11.345 1.00 0.00 H new ATOM 0 HG LEU A 5 3.101 6.965 -10.049 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.165 6.379 -12.262 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.405 7.834 -11.575 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.616 7.989 -12.870 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.524 5.789 -11.715 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.139 7.359 -12.284 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.483 6.818 -10.624 1.00 0.00 H new ATOM 92 N VAL A 6 6.209 11.069 -9.261 1.00 0.00 N ATOM 93 CA VAL A 6 6.660 12.470 -9.088 1.00 0.00 C ATOM 94 C VAL A 6 7.165 13.023 -10.435 1.00 0.00 C ATOM 95 O VAL A 6 8.291 12.719 -10.849 1.00 0.00 O ATOM 96 CB VAL A 6 7.800 12.590 -7.992 1.00 0.00 C ATOM 97 CG1 VAL A 6 8.280 14.063 -7.822 1.00 0.00 C ATOM 98 CG2 VAL A 6 7.344 11.987 -6.632 1.00 0.00 C ATOM 0 H VAL A 6 6.944 10.439 -9.582 1.00 0.00 H new ATOM 0 HA VAL A 6 5.808 13.056 -8.744 1.00 0.00 H new ATOM 0 HB VAL A 6 8.651 12.007 -8.345 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.061 14.106 -7.063 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.675 14.429 -8.770 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.440 14.686 -7.514 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.148 12.085 -5.903 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.463 12.520 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.101 10.933 -6.765 1.00 0.00 H new ATOM 108 N GLU A 7 6.327 13.848 -11.100 1.00 0.00 N ATOM 109 CA GLU A 7 6.665 14.484 -12.391 1.00 0.00 C ATOM 110 C GLU A 7 7.480 15.764 -12.167 1.00 0.00 C ATOM 111 O GLU A 7 7.328 16.437 -11.141 1.00 0.00 O ATOM 112 CB GLU A 7 5.392 14.814 -13.232 1.00 0.00 C ATOM 113 CG GLU A 7 4.561 13.587 -13.698 1.00 0.00 C ATOM 114 CD GLU A 7 3.524 13.078 -12.669 1.00 0.00 C ATOM 115 OE1 GLU A 7 2.315 13.275 -12.887 1.00 0.00 O ATOM 116 OE2 GLU A 7 3.913 12.487 -11.649 1.00 0.00 O ATOM 0 H GLU A 7 5.398 14.091 -10.757 1.00 0.00 H new ATOM 0 HA GLU A 7 7.263 13.766 -12.952 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.747 15.465 -12.642 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.696 15.380 -14.112 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.040 13.847 -14.619 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.245 12.772 -13.937 1.00 0.00 H new ATOM 123 N SER A 8 8.321 16.086 -13.155 1.00 0.00 N ATOM 124 CA SER A 8 9.168 17.282 -13.160 1.00 0.00 C ATOM 125 C SER A 8 9.504 17.664 -14.619 1.00 0.00 C ATOM 126 O SER A 8 9.637 16.787 -15.488 1.00 0.00 O ATOM 127 CB SER A 8 10.457 17.033 -12.330 1.00 0.00 C ATOM 128 OG SER A 8 11.062 15.804 -12.688 1.00 0.00 O ATOM 0 H SER A 8 8.434 15.511 -13.990 1.00 0.00 H new ATOM 0 HA SER A 8 8.634 18.112 -12.697 1.00 0.00 H new ATOM 0 HB2 SER A 8 11.161 17.849 -12.491 1.00 0.00 H new ATOM 0 HB3 SER A 8 10.214 17.027 -11.267 1.00 0.00 H new ATOM 0 HG SER A 8 11.872 15.670 -12.153 1.00 0.00 H new ATOM 134 N GLY A 9 9.627 18.984 -14.867 1.00 0.00 N ATOM 135 CA GLY A 9 9.889 19.544 -16.205 1.00 0.00 C ATOM 136 C GLY A 9 8.807 20.544 -16.616 1.00 0.00 C ATOM 137 O GLY A 9 8.397 20.592 -17.781 1.00 0.00 O ATOM 0 H GLY A 9 9.547 19.694 -14.139 1.00 0.00 H new ATOM 0 HA2 GLY A 9 10.862 20.036 -16.211 1.00 0.00 H new ATOM 0 HA3 GLY A 9 9.936 18.737 -16.936 1.00 0.00 H new ATOM 141 N GLY A 10 8.334 21.340 -15.637 1.00 0.00 N ATOM 142 CA GLY A 10 7.268 22.326 -15.856 1.00 0.00 C ATOM 143 C GLY A 10 7.812 23.730 -16.065 1.00 0.00 C ATOM 144 O GLY A 10 8.535 24.246 -15.205 1.00 0.00 O ATOM 0 H GLY A 10 8.681 21.315 -14.678 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.680 22.034 -16.726 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.594 22.324 -15.000 1.00 0.00 H new ATOM 148 N GLY A 11 7.486 24.334 -17.221 1.00 0.00 N ATOM 149 CA GLY A 11 7.897 25.700 -17.529 1.00 0.00 C ATOM 150 C GLY A 11 7.432 26.153 -18.896 1.00 0.00 C ATOM 151 O GLY A 11 6.744 25.408 -19.610 1.00 0.00 O ATOM 0 H GLY A 11 6.936 23.889 -17.956 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.498 26.375 -16.772 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.984 25.769 -17.478 1.00 0.00 H new ATOM 155 N LEU A 12 7.809 27.389 -19.256 1.00 0.00 N ATOM 156 CA LEU A 12 7.537 27.956 -20.586 1.00 0.00 C ATOM 157 C LEU A 12 8.752 27.718 -21.499 1.00 0.00 C ATOM 158 O LEU A 12 9.891 28.027 -21.122 1.00 0.00 O ATOM 159 CB LEU A 12 7.242 29.472 -20.485 1.00 0.00 C ATOM 160 CG LEU A 12 6.694 30.164 -21.780 1.00 0.00 C ATOM 161 CD1 LEU A 12 5.236 29.776 -22.047 1.00 0.00 C ATOM 162 CD2 LEU A 12 6.852 31.699 -21.725 1.00 0.00 C ATOM 0 H LEU A 12 8.311 28.023 -18.634 1.00 0.00 H new ATOM 0 HA LEU A 12 6.660 27.464 -21.006 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.520 29.627 -19.683 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.160 29.980 -20.189 1.00 0.00 H new ATOM 0 HG LEU A 12 7.298 29.802 -22.612 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.887 30.273 -22.952 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.165 28.696 -22.176 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.618 30.082 -21.203 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.460 32.138 -22.642 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.301 32.091 -20.870 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.907 31.953 -21.624 1.00 0.00 H new ATOM 174 N VAL A 13 8.494 27.149 -22.678 1.00 0.00 N ATOM 175 CA VAL A 13 9.503 26.939 -23.737 1.00 0.00 C ATOM 176 C VAL A 13 8.971 27.522 -25.056 1.00 0.00 C ATOM 177 O VAL A 13 7.786 27.836 -25.162 1.00 0.00 O ATOM 178 CB VAL A 13 9.852 25.406 -23.920 1.00 0.00 C ATOM 179 CG1 VAL A 13 10.606 24.840 -22.686 1.00 0.00 C ATOM 180 CG2 VAL A 13 8.578 24.577 -24.215 1.00 0.00 C ATOM 0 H VAL A 13 7.566 26.813 -22.935 1.00 0.00 H new ATOM 0 HA VAL A 13 10.422 27.447 -23.445 1.00 0.00 H new ATOM 0 HB VAL A 13 10.518 25.324 -24.779 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.829 23.785 -22.848 1.00 0.00 H new ATOM 0 HG12 VAL A 13 11.536 25.390 -22.544 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.983 24.947 -21.798 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.847 23.528 -24.336 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.878 24.679 -23.386 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.111 24.940 -25.131 1.00 0.00 H new ATOM 190 N GLN A 14 9.857 27.673 -26.047 1.00 0.00 N ATOM 191 CA GLN A 14 9.485 28.163 -27.386 1.00 0.00 C ATOM 192 C GLN A 14 9.002 27.016 -28.282 1.00 0.00 C ATOM 193 O GLN A 14 9.385 25.846 -28.091 1.00 0.00 O ATOM 194 CB GLN A 14 10.659 28.926 -28.081 1.00 0.00 C ATOM 195 CG GLN A 14 11.908 28.094 -28.474 1.00 0.00 C ATOM 196 CD GLN A 14 12.759 27.603 -27.298 1.00 0.00 C ATOM 197 OE1 GLN A 14 12.814 28.224 -26.240 1.00 0.00 O ATOM 198 NE2 GLN A 14 13.432 26.486 -27.484 1.00 0.00 N ATOM 0 H GLN A 14 10.850 27.461 -25.948 1.00 0.00 H new ATOM 0 HA GLN A 14 8.666 28.868 -27.243 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.269 29.397 -28.983 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.982 29.728 -27.417 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.582 27.229 -29.052 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.536 28.698 -29.129 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.366 25.993 -28.374 1.00 0.00 H new ATOM 0 HE22 GLN A 14 14.019 26.114 -26.738 1.00 0.00 H new ATOM 207 N ALA A 15 8.125 27.372 -29.239 1.00 0.00 N ATOM 208 CA ALA A 15 7.700 26.488 -30.330 1.00 0.00 C ATOM 209 C ALA A 15 8.910 26.119 -31.207 1.00 0.00 C ATOM 210 O ALA A 15 9.503 26.986 -31.862 1.00 0.00 O ATOM 211 CB ALA A 15 6.587 27.157 -31.150 1.00 0.00 C ATOM 0 H ALA A 15 7.689 28.293 -29.273 1.00 0.00 H new ATOM 0 HA ALA A 15 7.294 25.566 -29.914 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.280 26.492 -31.957 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.733 27.363 -30.504 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.957 28.092 -31.571 1.00 0.00 H new ATOM 217 N GLY A 16 9.277 24.832 -31.169 1.00 0.00 N ATOM 218 CA GLY A 16 10.462 24.305 -31.848 1.00 0.00 C ATOM 219 C GLY A 16 11.539 23.869 -30.860 1.00 0.00 C ATOM 220 O GLY A 16 12.609 23.393 -31.268 1.00 0.00 O ATOM 0 H GLY A 16 8.752 24.121 -30.660 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.176 23.457 -32.471 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.867 25.067 -32.514 1.00 0.00 H new ATOM 224 N GLY A 17 11.256 24.025 -29.552 1.00 0.00 N ATOM 225 CA GLY A 17 12.207 23.687 -28.493 1.00 0.00 C ATOM 226 C GLY A 17 12.117 22.246 -28.026 1.00 0.00 C ATOM 227 O GLY A 17 11.340 21.452 -28.567 1.00 0.00 O ATOM 0 H GLY A 17 10.366 24.387 -29.209 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.218 23.881 -28.850 1.00 0.00 H new ATOM 0 HA3 GLY A 17 12.038 24.346 -27.642 1.00 0.00 H new ATOM 231 N SER A 18 12.952 21.915 -27.035 1.00 0.00 N ATOM 232 CA SER A 18 12.933 20.629 -26.326 1.00 0.00 C ATOM 233 C SER A 18 12.401 20.844 -24.904 1.00 0.00 C ATOM 234 O SER A 18 12.424 21.966 -24.376 1.00 0.00 O ATOM 235 CB SER A 18 14.359 20.019 -26.241 1.00 0.00 C ATOM 236 OG SER A 18 14.966 19.959 -27.509 1.00 0.00 O ATOM 0 H SER A 18 13.677 22.548 -26.695 1.00 0.00 H new ATOM 0 HA SER A 18 12.290 19.942 -26.876 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.974 20.618 -25.569 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.304 19.018 -25.814 1.00 0.00 H new ATOM 0 HG SER A 18 14.284 19.785 -28.190 1.00 0.00 H new ATOM 242 N LEU A 19 11.944 19.748 -24.306 1.00 0.00 N ATOM 243 CA LEU A 19 11.527 19.684 -22.912 1.00 0.00 C ATOM 244 C LEU A 19 11.540 18.208 -22.488 1.00 0.00 C ATOM 245 O LEU A 19 10.810 17.391 -23.057 1.00 0.00 O ATOM 246 CB LEU A 19 10.127 20.325 -22.719 1.00 0.00 C ATOM 247 CG LEU A 19 9.643 20.490 -21.244 1.00 0.00 C ATOM 248 CD1 LEU A 19 10.663 21.282 -20.388 1.00 0.00 C ATOM 249 CD2 LEU A 19 8.248 21.150 -21.206 1.00 0.00 C ATOM 0 H LEU A 19 11.852 18.856 -24.792 1.00 0.00 H new ATOM 0 HA LEU A 19 12.212 20.253 -22.284 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.132 21.308 -23.190 1.00 0.00 H new ATOM 0 HB3 LEU A 19 9.396 19.719 -23.254 1.00 0.00 H new ATOM 0 HG LEU A 19 9.566 19.495 -20.805 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.288 21.375 -19.369 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.617 20.754 -20.378 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.803 22.275 -20.815 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.925 21.258 -20.171 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.297 22.133 -21.675 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.535 20.526 -21.745 1.00 0.00 H new ATOM 261 N ARG A 20 12.397 17.873 -21.521 1.00 0.00 N ATOM 262 CA ARG A 20 12.567 16.499 -21.044 1.00 0.00 C ATOM 263 C ARG A 20 11.772 16.317 -19.750 1.00 0.00 C ATOM 264 O ARG A 20 12.117 16.889 -18.708 1.00 0.00 O ATOM 265 CB ARG A 20 14.067 16.178 -20.824 1.00 0.00 C ATOM 266 CG ARG A 20 14.356 14.689 -20.518 1.00 0.00 C ATOM 267 CD ARG A 20 15.858 14.407 -20.321 1.00 0.00 C ATOM 268 NE ARG A 20 16.663 14.827 -21.490 1.00 0.00 N ATOM 269 CZ ARG A 20 17.880 14.364 -21.809 1.00 0.00 C ATOM 270 NH1 ARG A 20 18.433 13.372 -21.125 1.00 0.00 N ATOM 271 NH2 ARG A 20 18.516 14.875 -22.853 1.00 0.00 N ATOM 0 H ARG A 20 12.994 18.549 -21.045 1.00 0.00 H new ATOM 0 HA ARG A 20 12.190 15.805 -21.795 1.00 0.00 H new ATOM 0 HB2 ARG A 20 14.624 16.470 -21.714 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.441 16.786 -20.000 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.814 14.394 -19.620 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.978 14.074 -21.335 1.00 0.00 H new ATOM 0 HD2 ARG A 20 16.211 14.930 -19.432 1.00 0.00 H new ATOM 0 HD3 ARG A 20 16.006 13.342 -20.144 1.00 0.00 H new ATOM 0 HE ARG A 20 16.256 15.530 -22.107 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.932 12.950 -20.344 1.00 0.00 H new ATOM 0 HH12 ARG A 20 19.360 13.031 -21.380 1.00 0.00 H new ATOM 0 HH21 ARG A 20 18.079 15.613 -23.405 1.00 0.00 H new ATOM 0 HH22 ARG A 20 19.442 14.530 -23.105 1.00 0.00 H new ATOM 285 N LEU A 21 10.682 15.551 -19.838 1.00 0.00 N ATOM 286 CA LEU A 21 9.845 15.205 -18.688 1.00 0.00 C ATOM 287 C LEU A 21 10.412 13.954 -18.015 1.00 0.00 C ATOM 288 O LEU A 21 10.885 13.029 -18.693 1.00 0.00 O ATOM 289 CB LEU A 21 8.361 14.984 -19.117 1.00 0.00 C ATOM 290 CG LEU A 21 7.582 16.247 -19.631 1.00 0.00 C ATOM 291 CD1 LEU A 21 7.692 17.416 -18.640 1.00 0.00 C ATOM 292 CD2 LEU A 21 8.028 16.668 -21.046 1.00 0.00 C ATOM 0 H LEU A 21 10.353 15.151 -20.717 1.00 0.00 H new ATOM 0 HA LEU A 21 9.855 16.032 -17.978 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.342 14.229 -19.903 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.818 14.572 -18.266 1.00 0.00 H new ATOM 0 HG LEU A 21 6.531 15.965 -19.698 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.142 18.274 -19.027 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.272 17.119 -17.679 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.740 17.686 -18.510 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.462 17.545 -21.360 1.00 0.00 H new ATOM 0 HD22 LEU A 21 9.092 16.906 -21.036 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.846 15.850 -21.743 1.00 0.00 H new ATOM 304 N SER A 22 10.378 13.949 -16.685 1.00 0.00 N ATOM 305 CA SER A 22 10.866 12.839 -15.861 1.00 0.00 C ATOM 306 C SER A 22 9.915 12.629 -14.678 1.00 0.00 C ATOM 307 O SER A 22 9.625 13.573 -13.930 1.00 0.00 O ATOM 308 CB SER A 22 12.313 13.131 -15.383 1.00 0.00 C ATOM 309 OG SER A 22 12.429 14.425 -14.802 1.00 0.00 O ATOM 0 H SER A 22 10.006 14.726 -16.138 1.00 0.00 H new ATOM 0 HA SER A 22 10.890 11.922 -16.449 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.614 12.378 -14.655 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.998 13.049 -16.227 1.00 0.00 H new ATOM 0 HG SER A 22 11.735 14.541 -14.120 1.00 0.00 H new ATOM 315 N CYS A 23 9.421 11.397 -14.531 1.00 0.00 N ATOM 316 CA CYS A 23 8.523 10.998 -13.446 1.00 0.00 C ATOM 317 C CYS A 23 9.121 9.806 -12.705 1.00 0.00 C ATOM 318 O CYS A 23 9.266 8.729 -13.281 1.00 0.00 O ATOM 319 CB CYS A 23 7.131 10.637 -13.982 1.00 0.00 C ATOM 320 SG CYS A 23 6.003 10.065 -12.696 1.00 0.00 S ATOM 0 H CYS A 23 9.638 10.636 -15.174 1.00 0.00 H new ATOM 0 HA CYS A 23 8.412 11.839 -12.762 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.700 11.509 -14.473 1.00 0.00 H new ATOM 0 HB3 CYS A 23 7.231 9.861 -14.741 1.00 0.00 H new ATOM 0 HG CYS A 23 5.190 9.181 -13.194 1.00 0.00 H new ATOM 326 N VAL A 24 9.464 9.996 -11.428 1.00 0.00 N ATOM 327 CA VAL A 24 10.109 8.959 -10.621 1.00 0.00 C ATOM 328 C VAL A 24 9.037 8.034 -10.013 1.00 0.00 C ATOM 329 O VAL A 24 8.070 8.507 -9.397 1.00 0.00 O ATOM 330 CB VAL A 24 10.994 9.585 -9.490 1.00 0.00 C ATOM 331 CG1 VAL A 24 11.800 8.491 -8.748 1.00 0.00 C ATOM 332 CG2 VAL A 24 11.932 10.687 -10.055 1.00 0.00 C ATOM 0 H VAL A 24 9.303 10.870 -10.927 1.00 0.00 H new ATOM 0 HA VAL A 24 10.764 8.377 -11.269 1.00 0.00 H new ATOM 0 HB VAL A 24 10.328 10.057 -8.768 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.406 8.952 -7.968 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.113 7.775 -8.298 1.00 0.00 H new ATOM 0 HG13 VAL A 24 12.450 7.975 -9.455 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.533 11.103 -9.246 1.00 0.00 H new ATOM 0 HG22 VAL A 24 12.588 10.254 -10.810 1.00 0.00 H new ATOM 0 HG23 VAL A 24 11.333 11.479 -10.506 1.00 0.00 H new ATOM 342 N ALA A 25 9.235 6.720 -10.191 1.00 0.00 N ATOM 343 CA ALA A 25 8.286 5.684 -9.785 1.00 0.00 C ATOM 344 C ALA A 25 8.575 5.221 -8.342 1.00 0.00 C ATOM 345 O ALA A 25 9.553 4.508 -8.092 1.00 0.00 O ATOM 346 CB ALA A 25 8.347 4.497 -10.767 1.00 0.00 C ATOM 0 H ALA A 25 10.076 6.345 -10.630 1.00 0.00 H new ATOM 0 HA ALA A 25 7.279 6.100 -9.809 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.637 3.731 -10.456 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.094 4.841 -11.770 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.354 4.079 -10.770 1.00 0.00 H new ATOM 352 N SER A 26 7.730 5.709 -7.410 1.00 0.00 N ATOM 353 CA SER A 26 7.673 5.304 -5.985 1.00 0.00 C ATOM 354 C SER A 26 9.055 5.367 -5.283 1.00 0.00 C ATOM 355 O SER A 26 9.521 4.388 -4.681 1.00 0.00 O ATOM 356 CB SER A 26 6.947 3.924 -5.815 1.00 0.00 C ATOM 357 OG SER A 26 7.498 2.897 -6.634 1.00 0.00 O ATOM 0 H SER A 26 7.040 6.425 -7.636 1.00 0.00 H new ATOM 0 HA SER A 26 7.065 6.042 -5.463 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.004 3.617 -4.771 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.891 4.044 -6.055 1.00 0.00 H new ATOM 0 HG SER A 26 7.073 2.041 -6.416 1.00 0.00 H new ATOM 363 N GLY A 27 9.698 6.548 -5.390 1.00 0.00 N ATOM 364 CA GLY A 27 11.021 6.798 -4.796 1.00 0.00 C ATOM 365 C GLY A 27 12.140 6.161 -5.612 1.00 0.00 C ATOM 366 O GLY A 27 12.879 6.858 -6.314 1.00 0.00 O ATOM 0 H GLY A 27 9.314 7.350 -5.889 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.190 7.872 -4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.043 6.404 -3.780 1.00 0.00 H new ATOM 370 N ARG A 28 12.248 4.830 -5.508 1.00 0.00 N ATOM 371 CA ARG A 28 13.179 4.010 -6.301 1.00 0.00 C ATOM 372 C ARG A 28 12.761 2.527 -6.168 1.00 0.00 C ATOM 373 O ARG A 28 13.586 1.616 -6.086 1.00 0.00 O ATOM 374 CB ARG A 28 14.646 4.272 -5.838 1.00 0.00 C ATOM 375 CG ARG A 28 15.751 3.658 -6.739 1.00 0.00 C ATOM 376 CD ARG A 28 17.135 4.276 -6.483 1.00 0.00 C ATOM 377 NE ARG A 28 17.131 5.721 -6.787 1.00 0.00 N ATOM 378 CZ ARG A 28 18.062 6.607 -6.404 1.00 0.00 C ATOM 379 NH1 ARG A 28 19.130 6.225 -5.719 1.00 0.00 N ATOM 380 NH2 ARG A 28 17.919 7.886 -6.726 1.00 0.00 N ATOM 0 H ARG A 28 11.682 4.282 -4.860 1.00 0.00 H new ATOM 0 HA ARG A 28 13.136 4.278 -7.357 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.804 5.349 -5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.765 3.880 -4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.800 2.583 -6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.482 3.800 -7.786 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.421 4.120 -5.443 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.882 3.773 -7.098 1.00 0.00 H new ATOM 0 HE ARG A 28 16.350 6.077 -7.338 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.254 5.243 -5.474 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.828 6.913 -5.436 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.105 8.189 -7.261 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.623 8.566 -6.438 1.00 0.00 H new ATOM 394 N THR A 29 11.439 2.305 -6.166 1.00 0.00 N ATOM 395 CA THR A 29 10.838 0.970 -6.057 1.00 0.00 C ATOM 396 C THR A 29 10.329 0.527 -7.440 1.00 0.00 C ATOM 397 O THR A 29 9.893 1.363 -8.243 1.00 0.00 O ATOM 398 CB THR A 29 9.670 0.974 -5.010 1.00 0.00 C ATOM 399 OG1 THR A 29 10.148 1.507 -3.768 1.00 0.00 O ATOM 400 CG2 THR A 29 9.083 -0.436 -4.766 1.00 0.00 C ATOM 0 H THR A 29 10.751 3.055 -6.241 1.00 0.00 H new ATOM 0 HA THR A 29 11.592 0.263 -5.711 1.00 0.00 H new ATOM 0 HB THR A 29 8.872 1.594 -5.418 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.094 2.485 -3.789 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.279 -0.373 -4.033 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.691 -0.834 -5.702 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.865 -1.096 -4.391 1.00 0.00 H new ATOM 408 N PHE A 30 10.383 -0.792 -7.703 1.00 0.00 N ATOM 409 CA PHE A 30 9.904 -1.386 -8.958 1.00 0.00 C ATOM 410 C PHE A 30 8.575 -2.110 -8.683 1.00 0.00 C ATOM 411 O PHE A 30 8.503 -2.997 -7.823 1.00 0.00 O ATOM 412 CB PHE A 30 10.974 -2.356 -9.570 1.00 0.00 C ATOM 413 CG PHE A 30 11.380 -3.561 -8.700 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.868 -4.841 -8.941 1.00 0.00 C ATOM 415 CD2 PHE A 30 12.268 -3.406 -7.637 1.00 0.00 C ATOM 416 CE1 PHE A 30 11.234 -5.917 -8.149 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.635 -4.480 -6.846 1.00 0.00 C ATOM 418 CZ PHE A 30 12.119 -5.733 -7.102 1.00 0.00 C ATOM 0 H PHE A 30 10.762 -1.475 -7.047 1.00 0.00 H new ATOM 0 HA PHE A 30 9.739 -0.601 -9.696 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.592 -2.732 -10.519 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.871 -1.778 -9.794 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.177 -4.992 -9.757 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.677 -2.429 -7.427 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.829 -6.898 -8.349 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.326 -4.337 -6.028 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.406 -6.571 -6.485 1.00 0.00 H new ATOM 428 N ARG A 31 7.522 -1.686 -9.398 1.00 0.00 N ATOM 429 CA ARG A 31 6.171 -2.264 -9.282 1.00 0.00 C ATOM 430 C ARG A 31 5.282 -1.781 -10.443 1.00 0.00 C ATOM 431 O ARG A 31 4.322 -2.465 -10.825 1.00 0.00 O ATOM 432 CB ARG A 31 5.519 -1.924 -7.905 1.00 0.00 C ATOM 433 CG ARG A 31 4.158 -2.627 -7.601 1.00 0.00 C ATOM 434 CD ARG A 31 4.246 -4.180 -7.564 1.00 0.00 C ATOM 435 NE ARG A 31 4.429 -4.771 -8.914 1.00 0.00 N ATOM 436 CZ ARG A 31 5.281 -5.768 -9.231 1.00 0.00 C ATOM 437 NH1 ARG A 31 6.087 -6.289 -8.321 1.00 0.00 N ATOM 438 NH2 ARG A 31 5.364 -6.186 -10.478 1.00 0.00 N ATOM 0 H ARG A 31 7.582 -0.928 -10.078 1.00 0.00 H new ATOM 0 HA ARG A 31 6.263 -3.349 -9.340 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.225 -2.186 -7.117 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.368 -0.846 -7.853 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.783 -2.271 -6.642 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.431 -2.332 -8.357 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.077 -4.479 -6.924 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.338 -4.582 -7.115 1.00 0.00 H new ATOM 0 HE ARG A 31 3.860 -4.389 -9.669 1.00 0.00 H new ATOM 0 HH11 ARG A 31 6.070 -5.937 -7.364 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.725 -7.042 -8.577 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.785 -5.756 -11.200 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.007 -6.939 -10.722 1.00 0.00 H new ATOM 452 N SER A 32 5.601 -0.586 -10.976 1.00 0.00 N ATOM 453 CA SER A 32 4.931 -0.022 -12.156 1.00 0.00 C ATOM 454 C SER A 32 5.239 -0.891 -13.397 1.00 0.00 C ATOM 455 O SER A 32 6.315 -0.770 -13.992 1.00 0.00 O ATOM 456 CB SER A 32 5.406 1.436 -12.377 1.00 0.00 C ATOM 457 OG SER A 32 5.395 2.172 -11.168 1.00 0.00 O ATOM 0 H SER A 32 6.333 0.014 -10.597 1.00 0.00 H new ATOM 0 HA SER A 32 3.853 -0.017 -11.996 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.413 1.433 -12.794 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.761 1.924 -13.107 1.00 0.00 H new ATOM 0 HG SER A 32 5.701 3.087 -11.339 1.00 0.00 H new ATOM 463 N ASN A 33 4.329 -1.824 -13.716 1.00 0.00 N ATOM 464 CA ASN A 33 4.426 -2.675 -14.925 1.00 0.00 C ATOM 465 C ASN A 33 3.863 -1.933 -16.141 1.00 0.00 C ATOM 466 O ASN A 33 4.369 -2.075 -17.260 1.00 0.00 O ATOM 467 CB ASN A 33 3.657 -4.006 -14.709 1.00 0.00 C ATOM 468 CG ASN A 33 4.315 -4.949 -13.693 1.00 0.00 C ATOM 469 OD1 ASN A 33 5.013 -4.524 -12.773 1.00 0.00 O ATOM 470 ND2 ASN A 33 4.084 -6.240 -13.846 1.00 0.00 N ATOM 0 H ASN A 33 3.504 -2.014 -13.148 1.00 0.00 H new ATOM 0 HA ASN A 33 5.476 -2.903 -15.107 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.644 -3.779 -14.376 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.569 -4.522 -15.665 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.488 -6.911 -13.193 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.502 -6.566 -14.617 1.00 0.00 H new ATOM 477 N ALA A 34 2.815 -1.130 -15.894 1.00 0.00 N ATOM 478 CA ALA A 34 2.104 -0.373 -16.935 1.00 0.00 C ATOM 479 C ALA A 34 2.029 1.102 -16.524 1.00 0.00 C ATOM 480 O ALA A 34 1.527 1.428 -15.450 1.00 0.00 O ATOM 481 CB ALA A 34 0.699 -0.963 -17.163 1.00 0.00 C ATOM 0 H ALA A 34 2.435 -0.988 -14.958 1.00 0.00 H new ATOM 0 HA ALA A 34 2.647 -0.446 -17.877 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.186 -0.392 -17.936 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.788 -2.003 -17.478 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.128 -0.913 -16.236 1.00 0.00 H new ATOM 487 N MET A 35 2.576 1.968 -17.379 1.00 0.00 N ATOM 488 CA MET A 35 2.571 3.428 -17.230 1.00 0.00 C ATOM 489 C MET A 35 1.935 4.047 -18.480 1.00 0.00 C ATOM 490 O MET A 35 1.835 3.390 -19.527 1.00 0.00 O ATOM 491 CB MET A 35 4.016 3.994 -17.044 1.00 0.00 C ATOM 492 CG MET A 35 4.734 3.566 -15.751 1.00 0.00 C ATOM 493 SD MET A 35 5.096 1.794 -15.663 1.00 0.00 S ATOM 494 CE MET A 35 6.071 1.515 -17.138 1.00 0.00 C ATOM 0 H MET A 35 3.053 1.662 -18.227 1.00 0.00 H new ATOM 0 HA MET A 35 1.998 3.684 -16.339 1.00 0.00 H new ATOM 0 HB2 MET A 35 4.622 3.683 -17.895 1.00 0.00 H new ATOM 0 HB3 MET A 35 3.967 5.083 -17.068 1.00 0.00 H new ATOM 0 HG2 MET A 35 5.668 4.122 -15.665 1.00 0.00 H new ATOM 0 HG3 MET A 35 4.117 3.844 -14.896 1.00 0.00 H new ATOM 0 HE1 MET A 35 6.529 0.527 -17.090 1.00 0.00 H new ATOM 0 HE2 MET A 35 5.428 1.574 -18.016 1.00 0.00 H new ATOM 0 HE3 MET A 35 6.851 2.274 -17.208 1.00 0.00 H new ATOM 504 N GLY A 36 1.534 5.319 -18.372 1.00 0.00 N ATOM 505 CA GLY A 36 0.973 6.055 -19.496 1.00 0.00 C ATOM 506 C GLY A 36 1.108 7.550 -19.300 1.00 0.00 C ATOM 507 O GLY A 36 0.868 8.053 -18.198 1.00 0.00 O ATOM 0 H GLY A 36 1.591 5.858 -17.508 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.479 5.760 -20.415 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.079 5.796 -19.614 1.00 0.00 H new ATOM 511 N TRP A 37 1.516 8.259 -20.360 1.00 0.00 N ATOM 512 CA TRP A 37 1.576 9.724 -20.375 1.00 0.00 C ATOM 513 C TRP A 37 0.275 10.261 -20.978 1.00 0.00 C ATOM 514 O TRP A 37 -0.102 9.886 -22.095 1.00 0.00 O ATOM 515 CB TRP A 37 2.805 10.228 -21.184 1.00 0.00 C ATOM 516 CG TRP A 37 4.140 9.843 -20.578 1.00 0.00 C ATOM 517 CD1 TRP A 37 4.924 8.770 -20.907 1.00 0.00 C ATOM 518 CD2 TRP A 37 4.836 10.539 -19.525 1.00 0.00 C ATOM 519 NE1 TRP A 37 6.064 8.766 -20.141 1.00 0.00 N ATOM 520 CE2 TRP A 37 6.033 9.836 -19.284 1.00 0.00 C ATOM 521 CE3 TRP A 37 4.567 11.695 -18.770 1.00 0.00 C ATOM 522 CZ2 TRP A 37 6.953 10.244 -18.322 1.00 0.00 C ATOM 523 CZ3 TRP A 37 5.484 12.098 -17.815 1.00 0.00 C ATOM 524 CH2 TRP A 37 6.668 11.374 -17.600 1.00 0.00 C ATOM 0 H TRP A 37 1.815 7.829 -21.235 1.00 0.00 H new ATOM 0 HA TRP A 37 1.689 10.090 -19.355 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.749 9.830 -22.197 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.754 11.314 -21.265 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.681 8.034 -21.659 1.00 0.00 H new ATOM 0 HE1 TRP A 37 6.814 8.077 -20.200 1.00 0.00 H new ATOM 0 HE3 TRP A 37 3.660 12.259 -18.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.863 9.688 -18.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.286 12.982 -17.227 1.00 0.00 H new ATOM 0 HH2 TRP A 37 7.368 11.714 -16.851 1.00 0.00 H new ATOM 535 N PHE A 38 -0.432 11.084 -20.202 1.00 0.00 N ATOM 536 CA PHE A 38 -1.642 11.800 -20.641 1.00 0.00 C ATOM 537 C PHE A 38 -1.405 13.303 -20.444 1.00 0.00 C ATOM 538 O PHE A 38 -0.514 13.697 -19.680 1.00 0.00 O ATOM 539 CB PHE A 38 -2.893 11.344 -19.830 1.00 0.00 C ATOM 540 CG PHE A 38 -3.224 9.856 -19.940 1.00 0.00 C ATOM 541 CD1 PHE A 38 -2.593 8.914 -19.124 1.00 0.00 C ATOM 542 CD2 PHE A 38 -4.172 9.395 -20.859 1.00 0.00 C ATOM 543 CE1 PHE A 38 -2.890 7.568 -19.225 1.00 0.00 C ATOM 544 CE2 PHE A 38 -4.470 8.049 -20.955 1.00 0.00 C ATOM 545 CZ PHE A 38 -3.829 7.135 -20.139 1.00 0.00 C ATOM 0 H PHE A 38 -0.180 11.278 -19.233 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.834 11.577 -21.690 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -2.736 11.590 -18.780 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -3.756 11.919 -20.167 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.861 9.243 -18.402 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.678 10.100 -21.502 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.387 6.855 -18.589 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -5.206 7.710 -21.669 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.063 6.084 -20.217 1.00 0.00 H new ATOM 555 N ARG A 39 -2.194 14.139 -21.124 1.00 0.00 N ATOM 556 CA ARG A 39 -2.130 15.602 -20.955 1.00 0.00 C ATOM 557 C ARG A 39 -3.542 16.182 -20.961 1.00 0.00 C ATOM 558 O ARG A 39 -4.338 15.820 -21.813 1.00 0.00 O ATOM 559 CB ARG A 39 -1.274 16.266 -22.070 1.00 0.00 C ATOM 560 CG ARG A 39 -1.852 16.162 -23.509 1.00 0.00 C ATOM 561 CD ARG A 39 -1.062 16.992 -24.520 1.00 0.00 C ATOM 562 NE ARG A 39 -1.637 16.935 -25.876 1.00 0.00 N ATOM 563 CZ ARG A 39 -1.010 17.340 -26.992 1.00 0.00 C ATOM 564 NH1 ARG A 39 0.250 17.745 -26.943 1.00 0.00 N ATOM 565 NH2 ARG A 39 -1.647 17.335 -28.151 1.00 0.00 N ATOM 0 H ARG A 39 -2.890 13.830 -21.802 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.652 15.814 -19.999 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.144 17.320 -21.825 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.283 15.812 -22.062 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.852 15.118 -23.822 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.890 16.493 -23.505 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.030 18.029 -24.187 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.032 16.636 -24.551 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.581 16.560 -25.974 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.750 17.750 -26.054 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.721 18.051 -27.794 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.617 17.023 -28.199 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.168 17.643 -28.997 1.00 0.00 H new ATOM 579 N GLN A 40 -3.854 17.066 -20.015 1.00 0.00 N ATOM 580 CA GLN A 40 -5.120 17.825 -20.029 1.00 0.00 C ATOM 581 C GLN A 40 -4.823 19.206 -20.625 1.00 0.00 C ATOM 582 O GLN A 40 -3.905 19.896 -20.168 1.00 0.00 O ATOM 583 CB GLN A 40 -5.708 17.940 -18.594 1.00 0.00 C ATOM 584 CG GLN A 40 -6.985 18.810 -18.472 1.00 0.00 C ATOM 585 CD GLN A 40 -8.223 18.224 -19.161 1.00 0.00 C ATOM 586 OE1 GLN A 40 -8.408 17.009 -19.228 1.00 0.00 O ATOM 587 NE2 GLN A 40 -9.082 19.086 -19.680 1.00 0.00 N ATOM 0 H GLN A 40 -3.249 17.281 -19.222 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.869 17.313 -20.633 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.934 16.938 -18.230 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.942 18.353 -17.937 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.209 18.958 -17.416 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.781 19.794 -18.895 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -8.904 20.088 -19.610 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.922 18.749 -20.150 1.00 0.00 H new ATOM 596 N ALA A 41 -5.610 19.612 -21.626 1.00 0.00 N ATOM 597 CA ALA A 41 -5.388 20.870 -22.352 1.00 0.00 C ATOM 598 C ALA A 41 -6.239 22.001 -21.733 1.00 0.00 C ATOM 599 O ALA A 41 -7.365 21.739 -21.297 1.00 0.00 O ATOM 600 CB ALA A 41 -5.714 20.672 -23.843 1.00 0.00 C ATOM 0 H ALA A 41 -6.416 19.082 -21.956 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.341 21.160 -22.267 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.548 21.607 -24.379 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.069 19.897 -24.257 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.756 20.372 -23.951 1.00 0.00 H new ATOM 606 N PRO A 42 -5.704 23.264 -21.636 1.00 0.00 N ATOM 607 CA PRO A 42 -6.493 24.434 -21.183 1.00 0.00 C ATOM 608 C PRO A 42 -7.671 24.728 -22.142 1.00 0.00 C ATOM 609 O PRO A 42 -7.470 25.257 -23.244 1.00 0.00 O ATOM 610 CB PRO A 42 -5.454 25.601 -21.150 1.00 0.00 C ATOM 611 CG PRO A 42 -4.123 24.910 -21.114 1.00 0.00 C ATOM 612 CD PRO A 42 -4.301 23.645 -21.919 1.00 0.00 C ATOM 0 HA PRO A 42 -6.961 24.276 -20.211 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.546 26.241 -22.027 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.596 26.236 -20.276 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -3.343 25.540 -21.541 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.826 24.684 -20.090 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.136 23.817 -22.983 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.602 22.868 -21.610 1.00 0.00 H new ATOM 620 N GLY A 43 -8.880 24.314 -21.729 1.00 0.00 N ATOM 621 CA GLY A 43 -10.101 24.537 -22.503 1.00 0.00 C ATOM 622 C GLY A 43 -10.504 23.351 -23.382 1.00 0.00 C ATOM 623 O GLY A 43 -11.504 23.436 -24.110 1.00 0.00 O ATOM 0 H GLY A 43 -9.033 23.817 -20.851 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.918 24.762 -21.817 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.964 25.415 -23.135 1.00 0.00 H new ATOM 627 N LYS A 44 -9.746 22.242 -23.306 1.00 0.00 N ATOM 628 CA LYS A 44 -10.009 21.006 -24.093 1.00 0.00 C ATOM 629 C LYS A 44 -9.774 19.759 -23.222 1.00 0.00 C ATOM 630 O LYS A 44 -8.965 19.783 -22.300 1.00 0.00 O ATOM 631 CB LYS A 44 -9.108 20.943 -25.372 1.00 0.00 C ATOM 632 CG LYS A 44 -9.470 21.931 -26.526 1.00 0.00 C ATOM 633 CD LYS A 44 -10.614 21.429 -27.460 1.00 0.00 C ATOM 634 CE LYS A 44 -12.016 21.433 -26.820 1.00 0.00 C ATOM 635 NZ LYS A 44 -13.048 20.918 -27.746 1.00 0.00 N ATOM 0 H LYS A 44 -8.930 22.170 -22.698 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.051 21.029 -24.413 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.077 21.130 -25.073 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.146 19.928 -25.767 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.763 22.887 -26.092 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -8.579 22.113 -27.127 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.635 22.053 -28.353 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.381 20.415 -27.785 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.004 20.824 -25.916 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.274 22.448 -26.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.976 20.937 -27.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.078 21.513 -28.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.816 19.940 -28.015 1.00 0.00 H new ATOM 649 N GLU A 45 -10.485 18.665 -23.561 1.00 0.00 N ATOM 650 CA GLU A 45 -10.398 17.359 -22.863 1.00 0.00 C ATOM 651 C GLU A 45 -8.983 16.742 -22.986 1.00 0.00 C ATOM 652 O GLU A 45 -8.192 17.156 -23.848 1.00 0.00 O ATOM 653 CB GLU A 45 -11.472 16.399 -23.442 1.00 0.00 C ATOM 654 CG GLU A 45 -11.316 16.087 -24.950 1.00 0.00 C ATOM 655 CD GLU A 45 -12.521 15.338 -25.540 1.00 0.00 C ATOM 656 OE1 GLU A 45 -13.547 15.993 -25.826 1.00 0.00 O ATOM 657 OE2 GLU A 45 -12.461 14.103 -25.720 1.00 0.00 O ATOM 0 H GLU A 45 -11.146 18.660 -24.338 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.586 17.516 -21.801 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.440 15.462 -22.886 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.457 16.835 -23.275 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.174 17.020 -25.495 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.416 15.490 -25.100 1.00 0.00 H new ATOM 664 N ARG A 46 -8.673 15.747 -22.120 1.00 0.00 N ATOM 665 CA ARG A 46 -7.325 15.143 -22.066 1.00 0.00 C ATOM 666 C ARG A 46 -7.062 14.248 -23.290 1.00 0.00 C ATOM 667 O ARG A 46 -7.988 13.668 -23.871 1.00 0.00 O ATOM 668 CB ARG A 46 -7.051 14.386 -20.713 1.00 0.00 C ATOM 669 CG ARG A 46 -7.647 12.959 -20.516 1.00 0.00 C ATOM 670 CD ARG A 46 -9.193 12.904 -20.445 1.00 0.00 C ATOM 671 NE ARG A 46 -9.811 12.884 -21.782 1.00 0.00 N ATOM 672 CZ ARG A 46 -11.106 13.025 -22.050 1.00 0.00 C ATOM 673 NH1 ARG A 46 -11.982 13.303 -21.092 1.00 0.00 N ATOM 674 NH2 ARG A 46 -11.511 12.912 -23.291 1.00 0.00 N ATOM 0 H ARG A 46 -9.336 15.350 -21.454 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.611 15.966 -22.101 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.971 14.312 -20.589 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.423 15.013 -19.903 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.312 12.325 -21.337 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.240 12.534 -19.598 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.498 12.016 -19.892 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.560 13.767 -19.890 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.187 12.749 -22.577 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.666 13.413 -20.128 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.971 13.407 -21.320 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.837 12.719 -24.032 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -12.500 13.017 -23.516 1.00 0.00 H new ATOM 688 N GLU A 47 -5.787 14.174 -23.679 1.00 0.00 N ATOM 689 CA GLU A 47 -5.325 13.408 -24.830 1.00 0.00 C ATOM 690 C GLU A 47 -4.313 12.348 -24.368 1.00 0.00 C ATOM 691 O GLU A 47 -3.410 12.640 -23.565 1.00 0.00 O ATOM 692 CB GLU A 47 -4.673 14.355 -25.877 1.00 0.00 C ATOM 693 CG GLU A 47 -4.231 13.669 -27.187 1.00 0.00 C ATOM 694 CD GLU A 47 -5.404 13.031 -27.962 1.00 0.00 C ATOM 695 OE1 GLU A 47 -5.706 11.829 -27.750 1.00 0.00 O ATOM 696 OE2 GLU A 47 -6.041 13.725 -28.786 1.00 0.00 O ATOM 0 H GLU A 47 -5.034 14.657 -23.189 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.176 12.911 -25.296 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.381 15.147 -26.120 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.805 14.832 -25.423 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.737 14.402 -27.825 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.494 12.899 -26.957 1.00 0.00 H new ATOM 703 N PHE A 48 -4.496 11.125 -24.881 1.00 0.00 N ATOM 704 CA PHE A 48 -3.573 10.004 -24.691 1.00 0.00 C ATOM 705 C PHE A 48 -2.301 10.253 -25.524 1.00 0.00 C ATOM 706 O PHE A 48 -2.346 10.255 -26.764 1.00 0.00 O ATOM 707 CB PHE A 48 -4.294 8.690 -25.104 1.00 0.00 C ATOM 708 CG PHE A 48 -3.412 7.443 -25.163 1.00 0.00 C ATOM 709 CD1 PHE A 48 -3.004 6.907 -26.389 1.00 0.00 C ATOM 710 CD2 PHE A 48 -2.993 6.807 -23.999 1.00 0.00 C ATOM 711 CE1 PHE A 48 -2.216 5.780 -26.441 1.00 0.00 C ATOM 712 CE2 PHE A 48 -2.204 5.679 -24.054 1.00 0.00 C ATOM 713 CZ PHE A 48 -1.814 5.166 -25.273 1.00 0.00 C ATOM 0 H PHE A 48 -5.307 10.884 -25.451 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.274 9.913 -23.647 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.106 8.506 -24.401 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -4.748 8.838 -26.084 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.312 7.384 -27.308 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.290 7.203 -23.039 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.912 5.376 -27.396 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.890 5.196 -23.141 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.193 4.283 -25.313 1.00 0.00 H new ATOM 723 N VAL A 49 -1.185 10.504 -24.826 1.00 0.00 N ATOM 724 CA VAL A 49 0.113 10.823 -25.453 1.00 0.00 C ATOM 725 C VAL A 49 0.892 9.530 -25.735 1.00 0.00 C ATOM 726 O VAL A 49 1.297 9.273 -26.874 1.00 0.00 O ATOM 727 CB VAL A 49 0.971 11.780 -24.532 1.00 0.00 C ATOM 728 CG1 VAL A 49 2.325 12.180 -25.192 1.00 0.00 C ATOM 729 CG2 VAL A 49 0.144 13.027 -24.124 1.00 0.00 C ATOM 0 H VAL A 49 -1.153 10.492 -23.807 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.082 11.340 -26.393 1.00 0.00 H new ATOM 0 HB VAL A 49 1.223 11.226 -23.628 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.877 12.837 -24.520 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.913 11.284 -25.387 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.133 12.699 -26.131 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.750 13.674 -23.490 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.157 13.573 -25.018 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.744 12.711 -23.576 1.00 0.00 H new ATOM 739 N ALA A 50 1.064 8.706 -24.684 1.00 0.00 N ATOM 740 CA ALA A 50 1.897 7.494 -24.741 1.00 0.00 C ATOM 741 C ALA A 50 1.472 6.463 -23.684 1.00 0.00 C ATOM 742 O ALA A 50 0.719 6.782 -22.760 1.00 0.00 O ATOM 743 CB ALA A 50 3.380 7.870 -24.565 1.00 0.00 C ATOM 0 H ALA A 50 0.630 8.863 -23.774 1.00 0.00 H new ATOM 0 HA ALA A 50 1.757 7.033 -25.719 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.991 6.969 -24.608 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.680 8.550 -25.362 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.520 8.357 -23.600 1.00 0.00 H new ATOM 749 N ALA A 51 1.958 5.221 -23.857 1.00 0.00 N ATOM 750 CA ALA A 51 1.812 4.135 -22.877 1.00 0.00 C ATOM 751 C ALA A 51 3.008 3.172 -22.983 1.00 0.00 C ATOM 752 O ALA A 51 3.373 2.708 -24.086 1.00 0.00 O ATOM 753 CB ALA A 51 0.479 3.379 -23.052 1.00 0.00 C ATOM 0 H ALA A 51 2.470 4.942 -24.694 1.00 0.00 H new ATOM 0 HA ALA A 51 1.798 4.577 -21.881 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.411 2.585 -22.309 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.352 4.072 -22.920 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.435 2.945 -24.051 1.00 0.00 H new ATOM 759 N ILE A 52 3.645 2.923 -21.825 1.00 0.00 N ATOM 760 CA ILE A 52 4.738 1.964 -21.685 1.00 0.00 C ATOM 761 C ILE A 52 4.203 0.791 -20.866 1.00 0.00 C ATOM 762 O ILE A 52 3.930 0.949 -19.685 1.00 0.00 O ATOM 763 CB ILE A 52 6.011 2.598 -20.960 1.00 0.00 C ATOM 764 CG1 ILE A 52 6.601 3.833 -21.749 1.00 0.00 C ATOM 765 CG2 ILE A 52 7.110 1.521 -20.706 1.00 0.00 C ATOM 766 CD1 ILE A 52 5.832 5.142 -21.599 1.00 0.00 C ATOM 0 H ILE A 52 3.406 3.393 -20.952 1.00 0.00 H new ATOM 0 HA ILE A 52 5.071 1.648 -22.674 1.00 0.00 H new ATOM 0 HB ILE A 52 5.668 2.971 -19.995 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.627 3.996 -21.418 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.644 3.577 -22.808 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.964 1.983 -20.211 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.706 0.732 -20.072 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.428 1.095 -21.657 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.323 5.921 -22.181 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.812 5.008 -21.960 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.810 5.433 -20.549 1.00 0.00 H new ATOM 778 N ARG A 53 4.052 -0.380 -21.494 1.00 0.00 N ATOM 779 CA ARG A 53 3.703 -1.625 -20.787 1.00 0.00 C ATOM 780 C ARG A 53 4.838 -2.613 -21.016 1.00 0.00 C ATOM 781 O ARG A 53 5.243 -2.840 -22.168 1.00 0.00 O ATOM 782 CB ARG A 53 2.341 -2.248 -21.244 1.00 0.00 C ATOM 783 CG ARG A 53 1.077 -1.432 -20.861 1.00 0.00 C ATOM 784 CD ARG A 53 0.768 -0.260 -21.811 1.00 0.00 C ATOM 785 NE ARG A 53 0.350 -0.740 -23.146 1.00 0.00 N ATOM 786 CZ ARG A 53 -0.814 -0.459 -23.758 1.00 0.00 C ATOM 787 NH1 ARG A 53 -1.721 0.325 -23.184 1.00 0.00 N ATOM 788 NH2 ARG A 53 -1.068 -0.975 -24.945 1.00 0.00 N ATOM 0 H ARG A 53 4.167 -0.495 -22.501 1.00 0.00 H new ATOM 0 HA ARG A 53 3.574 -1.393 -19.730 1.00 0.00 H new ATOM 0 HB2 ARG A 53 2.361 -2.369 -22.327 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.254 -3.245 -20.813 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.218 -2.103 -20.839 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.203 -1.042 -19.851 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.020 0.359 -21.382 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.651 0.372 -21.910 1.00 0.00 H new ATOM 0 HE ARG A 53 1.005 -1.339 -23.649 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.540 0.725 -22.263 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.598 0.527 -23.664 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.383 -1.583 -25.394 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.949 -0.766 -25.414 1.00 0.00 H new ATOM 851 N SER A 58 5.790 -0.720 -25.201 1.00 0.00 N ATOM 852 CA SER A 58 6.467 0.459 -24.602 1.00 0.00 C ATOM 853 C SER A 58 6.606 1.661 -25.565 1.00 0.00 C ATOM 854 O SER A 58 7.561 2.445 -25.460 1.00 0.00 O ATOM 855 CB SER A 58 7.843 0.030 -24.025 1.00 0.00 C ATOM 856 OG SER A 58 7.676 -0.930 -22.991 1.00 0.00 O ATOM 0 HA SER A 58 5.827 0.819 -23.797 1.00 0.00 H new ATOM 0 HB2 SER A 58 8.462 -0.387 -24.819 1.00 0.00 H new ATOM 0 HB3 SER A 58 8.368 0.903 -23.637 1.00 0.00 H new ATOM 0 HG SER A 58 6.867 -1.456 -23.161 1.00 0.00 H new ATOM 862 N THR A 59 5.595 1.858 -26.432 1.00 0.00 N ATOM 863 CA THR A 59 5.639 2.869 -27.521 1.00 0.00 C ATOM 864 C THR A 59 4.211 3.236 -27.962 1.00 0.00 C ATOM 865 O THR A 59 3.456 2.359 -28.396 1.00 0.00 O ATOM 866 CB THR A 59 6.440 2.356 -28.787 1.00 0.00 C ATOM 867 OG1 THR A 59 6.184 0.960 -28.989 1.00 0.00 O ATOM 868 CG2 THR A 59 7.958 2.587 -28.688 1.00 0.00 C ATOM 0 H THR A 59 4.725 1.326 -26.403 1.00 0.00 H new ATOM 0 HA THR A 59 6.154 3.741 -27.118 1.00 0.00 H new ATOM 0 HB THR A 59 6.086 2.942 -29.635 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.680 0.647 -29.774 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.443 2.211 -29.589 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.158 3.654 -28.586 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.350 2.060 -27.818 1.00 0.00 H new ATOM 876 N TYR A 60 3.886 4.536 -27.865 1.00 0.00 N ATOM 877 CA TYR A 60 2.646 5.139 -28.382 1.00 0.00 C ATOM 878 C TYR A 60 2.926 6.613 -28.698 1.00 0.00 C ATOM 879 O TYR A 60 3.400 7.356 -27.832 1.00 0.00 O ATOM 880 CB TYR A 60 1.448 5.000 -27.390 1.00 0.00 C ATOM 881 CG TYR A 60 0.747 3.639 -27.444 1.00 0.00 C ATOM 882 CD1 TYR A 60 1.020 2.630 -26.519 1.00 0.00 C ATOM 883 CD2 TYR A 60 -0.180 3.358 -28.452 1.00 0.00 C ATOM 884 CE1 TYR A 60 0.404 1.398 -26.600 1.00 0.00 C ATOM 885 CE2 TYR A 60 -0.801 2.132 -28.527 1.00 0.00 C ATOM 886 CZ TYR A 60 -0.508 1.153 -27.603 1.00 0.00 C ATOM 887 OH TYR A 60 -1.117 -0.083 -27.695 1.00 0.00 O ATOM 0 H TYR A 60 4.496 5.216 -27.412 1.00 0.00 H new ATOM 0 HA TYR A 60 2.348 4.604 -29.284 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.808 5.171 -26.376 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.719 5.781 -27.606 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.727 2.817 -25.724 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.413 4.116 -29.185 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.636 0.628 -25.879 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.518 1.937 -29.311 1.00 0.00 H new ATOM 0 HH TYR A 60 -1.733 -0.088 -28.457 1.00 0.00 H new ATOM 897 N TYR A 61 2.681 6.989 -29.960 1.00 0.00 N ATOM 898 CA TYR A 61 2.890 8.349 -30.484 1.00 0.00 C ATOM 899 C TYR A 61 2.155 8.490 -31.825 1.00 0.00 C ATOM 900 O TYR A 61 1.800 7.484 -32.455 1.00 0.00 O ATOM 901 CB TYR A 61 4.420 8.654 -30.655 1.00 0.00 C ATOM 902 CG TYR A 61 5.222 7.557 -31.397 1.00 0.00 C ATOM 903 CD1 TYR A 61 5.965 6.599 -30.693 1.00 0.00 C ATOM 904 CD2 TYR A 61 5.220 7.468 -32.795 1.00 0.00 C ATOM 905 CE1 TYR A 61 6.668 5.605 -31.350 1.00 0.00 C ATOM 906 CE2 TYR A 61 5.922 6.477 -33.450 1.00 0.00 C ATOM 907 CZ TYR A 61 6.642 5.549 -32.728 1.00 0.00 C ATOM 908 OH TYR A 61 7.340 4.559 -33.392 1.00 0.00 O ATOM 0 H TYR A 61 2.324 6.342 -30.663 1.00 0.00 H new ATOM 0 HA TYR A 61 2.488 9.072 -29.774 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.530 9.594 -31.196 1.00 0.00 H new ATOM 0 HB3 TYR A 61 4.859 8.801 -29.668 1.00 0.00 H new ATOM 0 HD1 TYR A 61 5.989 6.638 -29.614 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.658 8.189 -33.371 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.234 4.877 -30.787 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.907 6.428 -34.529 1.00 0.00 H new ATOM 0 HH TYR A 61 7.215 4.663 -34.358 1.00 0.00 H new ATOM 918 N ALA A 62 1.922 9.736 -32.249 1.00 0.00 N ATOM 919 CA ALA A 62 1.463 10.038 -33.613 1.00 0.00 C ATOM 920 C ALA A 62 2.669 10.041 -34.568 1.00 0.00 C ATOM 921 O ALA A 62 3.792 10.340 -34.149 1.00 0.00 O ATOM 922 CB ALA A 62 0.735 11.394 -33.645 1.00 0.00 C ATOM 0 H ALA A 62 2.045 10.561 -31.662 1.00 0.00 H new ATOM 0 HA ALA A 62 0.758 9.272 -33.936 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.401 11.604 -34.661 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.128 11.360 -32.979 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.415 12.180 -33.317 1.00 0.00 H new ATOM 928 N ASP A 63 2.433 9.718 -35.850 1.00 0.00 N ATOM 929 CA ASP A 63 3.492 9.735 -36.889 1.00 0.00 C ATOM 930 C ASP A 63 3.990 11.177 -37.140 1.00 0.00 C ATOM 931 O ASP A 63 5.156 11.398 -37.498 1.00 0.00 O ATOM 932 CB ASP A 63 2.969 9.108 -38.200 1.00 0.00 C ATOM 933 CG ASP A 63 4.029 9.063 -39.320 1.00 0.00 C ATOM 934 OD1 ASP A 63 4.973 8.248 -39.228 1.00 0.00 O ATOM 935 OD2 ASP A 63 3.925 9.844 -40.292 1.00 0.00 O ATOM 0 H ASP A 63 1.516 9.440 -36.199 1.00 0.00 H new ATOM 0 HA ASP A 63 4.333 9.141 -36.531 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.622 8.095 -37.997 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.107 9.677 -38.548 1.00 0.00 H new ATOM 940 N SER A 64 3.082 12.140 -36.917 1.00 0.00 N ATOM 941 CA SER A 64 3.360 13.580 -37.023 1.00 0.00 C ATOM 942 C SER A 64 4.346 14.059 -35.931 1.00 0.00 C ATOM 943 O SER A 64 5.039 15.063 -36.115 1.00 0.00 O ATOM 944 CB SER A 64 2.028 14.355 -36.920 1.00 0.00 C ATOM 945 OG SER A 64 1.329 14.030 -35.727 1.00 0.00 O ATOM 0 H SER A 64 2.118 11.936 -36.654 1.00 0.00 H new ATOM 0 HA SER A 64 3.833 13.772 -37.986 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.226 15.427 -36.947 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.404 14.125 -37.783 1.00 0.00 H new ATOM 0 HG SER A 64 0.491 14.538 -35.690 1.00 0.00 H new ATOM 951 N VAL A 65 4.388 13.333 -34.790 1.00 0.00 N ATOM 952 CA VAL A 65 5.305 13.635 -33.665 1.00 0.00 C ATOM 953 C VAL A 65 6.341 12.505 -33.465 1.00 0.00 C ATOM 954 O VAL A 65 7.032 12.471 -32.447 1.00 0.00 O ATOM 955 CB VAL A 65 4.513 13.912 -32.324 1.00 0.00 C ATOM 956 CG1 VAL A 65 3.506 15.077 -32.496 1.00 0.00 C ATOM 957 CG2 VAL A 65 3.819 12.635 -31.780 1.00 0.00 C ATOM 0 H VAL A 65 3.790 12.524 -34.623 1.00 0.00 H new ATOM 0 HA VAL A 65 5.844 14.546 -33.927 1.00 0.00 H new ATOM 0 HB VAL A 65 5.246 14.215 -31.576 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.978 15.243 -31.557 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.043 15.984 -32.775 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.788 14.825 -33.277 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.288 12.874 -30.859 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.111 12.262 -32.520 1.00 0.00 H new ATOM 0 HG23 VAL A 65 4.570 11.871 -31.578 1.00 0.00 H new ATOM 967 N LYS A 66 6.461 11.601 -34.457 1.00 0.00 N ATOM 968 CA LYS A 66 7.421 10.471 -34.419 1.00 0.00 C ATOM 969 C LYS A 66 8.873 10.992 -34.509 1.00 0.00 C ATOM 970 O LYS A 66 9.216 11.725 -35.440 1.00 0.00 O ATOM 971 CB LYS A 66 7.094 9.457 -35.563 1.00 0.00 C ATOM 972 CG LYS A 66 8.072 8.244 -35.717 1.00 0.00 C ATOM 973 CD LYS A 66 9.122 8.396 -36.859 1.00 0.00 C ATOM 974 CE LYS A 66 8.533 8.195 -38.277 1.00 0.00 C ATOM 975 NZ LYS A 66 7.576 9.256 -38.682 1.00 0.00 N ATOM 0 H LYS A 66 5.898 11.630 -35.307 1.00 0.00 H new ATOM 0 HA LYS A 66 7.324 9.946 -33.469 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.090 9.067 -35.398 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.073 10.002 -36.507 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.599 8.098 -34.774 1.00 0.00 H new ATOM 0 HG3 LYS A 66 7.486 7.343 -35.898 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.570 9.388 -36.799 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.923 7.674 -36.702 1.00 0.00 H new ATOM 0 HE2 LYS A 66 9.349 8.160 -38.998 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.030 7.229 -38.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.646 9.413 -39.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.608 8.961 -38.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.803 10.138 -38.180 1.00 0.00 H new ATOM 989 N GLY A 67 9.691 10.644 -33.493 1.00 0.00 N ATOM 990 CA GLY A 67 11.101 11.075 -33.419 1.00 0.00 C ATOM 991 C GLY A 67 11.279 12.388 -32.655 1.00 0.00 C ATOM 992 O GLY A 67 12.349 12.652 -32.090 1.00 0.00 O ATOM 0 H GLY A 67 9.396 10.062 -32.709 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.690 10.296 -32.935 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.494 11.191 -34.429 1.00 0.00 H new ATOM 996 N ARG A 68 10.224 13.212 -32.674 1.00 0.00 N ATOM 997 CA ARG A 68 10.134 14.480 -31.928 1.00 0.00 C ATOM 998 C ARG A 68 9.809 14.167 -30.458 1.00 0.00 C ATOM 999 O ARG A 68 10.495 14.604 -29.535 1.00 0.00 O ATOM 1000 CB ARG A 68 9.011 15.342 -32.576 1.00 0.00 C ATOM 1001 CG ARG A 68 9.235 15.641 -34.075 1.00 0.00 C ATOM 1002 CD ARG A 68 7.969 16.115 -34.811 1.00 0.00 C ATOM 1003 NE ARG A 68 7.366 17.327 -34.223 1.00 0.00 N ATOM 1004 CZ ARG A 68 6.632 18.223 -34.906 1.00 0.00 C ATOM 1005 NH1 ARG A 68 6.470 18.107 -36.219 1.00 0.00 N ATOM 1006 NH2 ARG A 68 6.103 19.259 -34.284 1.00 0.00 N ATOM 0 H ARG A 68 9.387 13.013 -33.221 1.00 0.00 H new ATOM 0 HA ARG A 68 11.074 15.030 -31.964 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.058 14.827 -32.457 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.933 16.285 -32.035 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.007 16.404 -34.172 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.612 14.742 -34.563 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.217 16.311 -35.854 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.232 15.312 -34.804 1.00 0.00 H new ATOM 0 HE ARG A 68 7.517 17.497 -33.229 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.905 17.332 -36.720 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.911 18.793 -36.726 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.250 19.382 -33.282 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.547 19.937 -34.805 1.00 0.00 H new ATOM 1020 N PHE A 69 8.744 13.385 -30.286 1.00 0.00 N ATOM 1021 CA PHE A 69 8.261 12.897 -28.993 1.00 0.00 C ATOM 1022 C PHE A 69 8.665 11.423 -28.868 1.00 0.00 C ATOM 1023 O PHE A 69 8.309 10.600 -29.726 1.00 0.00 O ATOM 1024 CB PHE A 69 6.716 13.052 -28.902 1.00 0.00 C ATOM 1025 CG PHE A 69 6.209 14.496 -28.804 1.00 0.00 C ATOM 1026 CD1 PHE A 69 6.553 15.449 -29.763 1.00 0.00 C ATOM 1027 CD2 PHE A 69 5.373 14.897 -27.760 1.00 0.00 C ATOM 1028 CE1 PHE A 69 6.087 16.743 -29.690 1.00 0.00 C ATOM 1029 CE2 PHE A 69 4.909 16.193 -27.686 1.00 0.00 C ATOM 1030 CZ PHE A 69 5.269 17.113 -28.652 1.00 0.00 C ATOM 0 H PHE A 69 8.174 13.063 -31.068 1.00 0.00 H new ATOM 0 HA PHE A 69 8.699 13.475 -28.179 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.268 12.585 -29.779 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.362 12.500 -28.031 1.00 0.00 H new ATOM 0 HD1 PHE A 69 7.199 15.166 -30.581 1.00 0.00 H new ATOM 0 HD2 PHE A 69 5.087 14.183 -27.002 1.00 0.00 H new ATOM 0 HE1 PHE A 69 6.364 17.463 -30.446 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.264 16.489 -26.872 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.905 18.128 -28.590 1.00 0.00 H new ATOM 1040 N THR A 70 9.422 11.107 -27.819 1.00 0.00 N ATOM 1041 CA THR A 70 9.947 9.766 -27.550 1.00 0.00 C ATOM 1042 C THR A 70 9.754 9.446 -26.065 1.00 0.00 C ATOM 1043 O THR A 70 9.721 10.353 -25.225 1.00 0.00 O ATOM 1044 CB THR A 70 11.468 9.658 -27.940 1.00 0.00 C ATOM 1045 OG1 THR A 70 12.184 10.803 -27.464 1.00 0.00 O ATOM 1046 CG2 THR A 70 11.675 9.519 -29.465 1.00 0.00 C ATOM 0 H THR A 70 9.695 11.792 -27.114 1.00 0.00 H new ATOM 0 HA THR A 70 9.402 9.045 -28.159 1.00 0.00 H new ATOM 0 HB THR A 70 11.854 8.754 -27.468 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.129 10.724 -27.711 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.741 9.448 -29.683 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.172 8.620 -29.820 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.259 10.391 -29.970 1.00 0.00 H new ATOM 1054 N ILE A 71 9.608 8.152 -25.753 1.00 0.00 N ATOM 1055 CA ILE A 71 9.391 7.660 -24.378 1.00 0.00 C ATOM 1056 C ILE A 71 10.418 6.582 -24.035 1.00 0.00 C ATOM 1057 O ILE A 71 10.868 5.838 -24.910 1.00 0.00 O ATOM 1058 CB ILE A 71 7.932 7.092 -24.128 1.00 0.00 C ATOM 1059 CG1 ILE A 71 7.498 5.973 -25.155 1.00 0.00 C ATOM 1060 CG2 ILE A 71 6.906 8.232 -24.082 1.00 0.00 C ATOM 1061 CD1 ILE A 71 7.105 6.440 -26.554 1.00 0.00 C ATOM 0 H ILE A 71 9.637 7.408 -26.450 1.00 0.00 H new ATOM 0 HA ILE A 71 9.511 8.526 -23.727 1.00 0.00 H new ATOM 0 HB ILE A 71 7.961 6.601 -23.155 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.320 5.263 -25.252 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.655 5.429 -24.729 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.912 7.820 -23.910 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.160 8.918 -23.274 1.00 0.00 H new ATOM 0 HG23 ILE A 71 6.917 8.769 -25.030 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.829 5.578 -27.161 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.258 7.122 -26.485 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.948 6.954 -27.016 1.00 0.00 H new ATOM 1073 N SER A 72 10.781 6.520 -22.749 1.00 0.00 N ATOM 1074 CA SER A 72 11.719 5.529 -22.204 1.00 0.00 C ATOM 1075 C SER A 72 11.408 5.297 -20.721 1.00 0.00 C ATOM 1076 O SER A 72 10.569 5.992 -20.134 1.00 0.00 O ATOM 1077 CB SER A 72 13.186 6.013 -22.382 1.00 0.00 C ATOM 1078 OG SER A 72 13.531 6.156 -23.752 1.00 0.00 O ATOM 0 H SER A 72 10.426 7.167 -22.045 1.00 0.00 H new ATOM 0 HA SER A 72 11.604 4.590 -22.746 1.00 0.00 H new ATOM 0 HB2 SER A 72 13.318 6.967 -21.872 1.00 0.00 H new ATOM 0 HB3 SER A 72 13.863 5.302 -21.909 1.00 0.00 H new ATOM 0 HG SER A 72 14.459 6.463 -23.825 1.00 0.00 H new ATOM 1084 N ARG A 73 12.077 4.300 -20.131 1.00 0.00 N ATOM 1085 CA ARG A 73 12.071 4.069 -18.682 1.00 0.00 C ATOM 1086 C ARG A 73 13.418 3.471 -18.271 1.00 0.00 C ATOM 1087 O ARG A 73 13.969 2.620 -18.982 1.00 0.00 O ATOM 1088 CB ARG A 73 10.912 3.126 -18.256 1.00 0.00 C ATOM 1089 CG ARG A 73 10.830 2.891 -16.722 1.00 0.00 C ATOM 1090 CD ARG A 73 9.770 1.860 -16.314 1.00 0.00 C ATOM 1091 NE ARG A 73 10.057 0.517 -16.854 1.00 0.00 N ATOM 1092 CZ ARG A 73 9.343 -0.590 -16.603 1.00 0.00 C ATOM 1093 NH1 ARG A 73 8.295 -0.555 -15.796 1.00 0.00 N ATOM 1094 NH2 ARG A 73 9.694 -1.742 -17.152 1.00 0.00 N ATOM 0 H ARG A 73 12.641 3.626 -20.649 1.00 0.00 H new ATOM 0 HA ARG A 73 11.914 5.022 -18.177 1.00 0.00 H new ATOM 0 HB2 ARG A 73 9.968 3.547 -18.601 1.00 0.00 H new ATOM 0 HB3 ARG A 73 11.035 2.165 -18.756 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.804 2.561 -16.361 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.612 3.838 -16.229 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.717 1.808 -15.227 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.792 2.189 -16.666 1.00 0.00 H new ATOM 0 HE ARG A 73 10.865 0.423 -17.469 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.020 0.323 -15.355 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.762 -1.406 -15.615 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.507 -1.788 -17.766 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.151 -2.584 -16.961 1.00 0.00 H new ATOM 1108 N ASP A 74 13.931 3.930 -17.126 1.00 0.00 N ATOM 1109 CA ASP A 74 15.208 3.501 -16.549 1.00 0.00 C ATOM 1110 C ASP A 74 14.947 2.945 -15.142 1.00 0.00 C ATOM 1111 O ASP A 74 14.786 3.717 -14.187 1.00 0.00 O ATOM 1112 CB ASP A 74 16.191 4.702 -16.478 1.00 0.00 C ATOM 1113 CG ASP A 74 16.621 5.254 -17.849 1.00 0.00 C ATOM 1114 OD1 ASP A 74 15.762 5.753 -18.604 1.00 0.00 O ATOM 1115 OD2 ASP A 74 17.823 5.205 -18.179 1.00 0.00 O ATOM 0 H ASP A 74 13.455 4.631 -16.558 1.00 0.00 H new ATOM 0 HA ASP A 74 15.657 2.728 -17.173 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.724 5.505 -15.907 1.00 0.00 H new ATOM 0 HB3 ASP A 74 17.081 4.395 -15.928 1.00 0.00 H new ATOM 1120 N ASN A 75 14.895 1.608 -15.028 1.00 0.00 N ATOM 1121 CA ASN A 75 14.664 0.898 -13.745 1.00 0.00 C ATOM 1122 C ASN A 75 15.899 1.008 -12.814 1.00 0.00 C ATOM 1123 O ASN A 75 15.813 0.717 -11.615 1.00 0.00 O ATOM 1124 CB ASN A 75 14.301 -0.590 -14.027 1.00 0.00 C ATOM 1125 CG ASN A 75 13.896 -1.370 -12.770 1.00 0.00 C ATOM 1126 OD1 ASN A 75 12.737 -1.338 -12.357 1.00 0.00 O ATOM 1127 ND2 ASN A 75 14.837 -2.081 -12.155 1.00 0.00 N ATOM 0 H ASN A 75 15.012 0.980 -15.823 1.00 0.00 H new ATOM 0 HA ASN A 75 13.829 1.370 -13.228 1.00 0.00 H new ATOM 0 HB2 ASN A 75 13.483 -0.626 -14.747 1.00 0.00 H new ATOM 0 HB3 ASN A 75 15.156 -1.083 -14.491 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.606 -2.618 -11.319 1.00 0.00 H new ATOM 0 HD22 ASN A 75 15.790 -2.089 -12.519 1.00 0.00 H new ATOM 1134 N ALA A 76 17.043 1.459 -13.394 1.00 0.00 N ATOM 1135 CA ALA A 76 18.310 1.715 -12.663 1.00 0.00 C ATOM 1136 C ALA A 76 18.090 2.638 -11.440 1.00 0.00 C ATOM 1137 O ALA A 76 18.640 2.401 -10.359 1.00 0.00 O ATOM 1138 CB ALA A 76 19.348 2.321 -13.624 1.00 0.00 C ATOM 0 H ALA A 76 17.110 1.657 -14.392 1.00 0.00 H new ATOM 0 HA ALA A 76 18.683 0.764 -12.283 1.00 0.00 H new ATOM 0 HB1 ALA A 76 20.277 2.508 -13.085 1.00 0.00 H new ATOM 0 HB2 ALA A 76 19.536 1.625 -14.442 1.00 0.00 H new ATOM 0 HB3 ALA A 76 18.967 3.259 -14.027 1.00 0.00 H new ATOM 1144 N LYS A 77 17.287 3.705 -11.637 1.00 0.00 N ATOM 1145 CA LYS A 77 16.842 4.613 -10.550 1.00 0.00 C ATOM 1146 C LYS A 77 15.303 4.656 -10.443 1.00 0.00 C ATOM 1147 O LYS A 77 14.764 5.379 -9.592 1.00 0.00 O ATOM 1148 CB LYS A 77 17.428 6.052 -10.711 1.00 0.00 C ATOM 1149 CG LYS A 77 17.099 6.801 -12.027 1.00 0.00 C ATOM 1150 CD LYS A 77 17.907 6.297 -13.249 1.00 0.00 C ATOM 1151 CE LYS A 77 17.696 7.167 -14.497 1.00 0.00 C ATOM 1152 NZ LYS A 77 18.200 8.551 -14.314 1.00 0.00 N ATOM 0 H LYS A 77 16.926 3.965 -12.555 1.00 0.00 H new ATOM 0 HA LYS A 77 17.234 4.203 -9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 77 17.072 6.658 -9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.512 5.989 -10.619 1.00 0.00 H new ATOM 0 HG2 LYS A 77 16.035 6.696 -12.238 1.00 0.00 H new ATOM 0 HG3 LYS A 77 17.293 7.864 -11.888 1.00 0.00 H new ATOM 0 HD2 LYS A 77 18.967 6.281 -12.997 1.00 0.00 H new ATOM 0 HD3 LYS A 77 17.617 5.270 -13.473 1.00 0.00 H new ATOM 0 HE2 LYS A 77 18.202 6.708 -15.346 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.634 7.199 -14.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.424 9.226 -14.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 18.570 8.661 -13.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 18.960 8.737 -14.999 1.00 0.00 H new ATOM 1166 N ASN A 78 14.622 3.867 -11.305 1.00 0.00 N ATOM 1167 CA ASN A 78 13.144 3.772 -11.373 1.00 0.00 C ATOM 1168 C ASN A 78 12.517 5.137 -11.714 1.00 0.00 C ATOM 1169 O ASN A 78 11.922 5.799 -10.863 1.00 0.00 O ATOM 1170 CB ASN A 78 12.540 3.149 -10.080 1.00 0.00 C ATOM 1171 CG ASN A 78 13.042 1.726 -9.813 1.00 0.00 C ATOM 1172 OD1 ASN A 78 12.345 0.729 -10.339 1.00 0.00 O flip ATOM 1173 ND2 ASN A 78 14.053 1.523 -9.145 1.00 0.00 N flip ATOM 0 H ASN A 78 15.091 3.268 -11.985 1.00 0.00 H new ATOM 0 HA ASN A 78 12.894 3.090 -12.185 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.788 3.782 -9.228 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.453 3.136 -10.162 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.571 2.309 -8.752 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.375 0.569 -8.984 1.00 0.00 H new ATOM 1180 N THR A 79 12.745 5.583 -12.960 1.00 0.00 N ATOM 1181 CA THR A 79 12.213 6.853 -13.482 1.00 0.00 C ATOM 1182 C THR A 79 11.806 6.680 -14.961 1.00 0.00 C ATOM 1183 O THR A 79 12.567 6.131 -15.757 1.00 0.00 O ATOM 1184 CB THR A 79 13.272 8.009 -13.336 1.00 0.00 C ATOM 1185 OG1 THR A 79 13.657 8.159 -11.952 1.00 0.00 O ATOM 1186 CG2 THR A 79 12.751 9.365 -13.861 1.00 0.00 C ATOM 0 H THR A 79 13.307 5.069 -13.638 1.00 0.00 H new ATOM 0 HA THR A 79 11.334 7.127 -12.899 1.00 0.00 H new ATOM 0 HB THR A 79 14.131 7.723 -13.943 1.00 0.00 H new ATOM 0 HG1 THR A 79 14.317 8.879 -11.872 1.00 0.00 H new ATOM 0 HG21 THR A 79 13.523 10.125 -13.735 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.500 9.274 -14.918 1.00 0.00 H new ATOM 0 HG23 THR A 79 11.862 9.655 -13.301 1.00 0.00 H new ATOM 1194 N VAL A 80 10.606 7.167 -15.312 1.00 0.00 N ATOM 1195 CA VAL A 80 10.048 7.101 -16.674 1.00 0.00 C ATOM 1196 C VAL A 80 10.234 8.475 -17.340 1.00 0.00 C ATOM 1197 O VAL A 80 9.955 9.501 -16.722 1.00 0.00 O ATOM 1198 CB VAL A 80 8.512 6.729 -16.652 1.00 0.00 C ATOM 1199 CG1 VAL A 80 7.959 6.480 -18.086 1.00 0.00 C ATOM 1200 CG2 VAL A 80 8.236 5.520 -15.720 1.00 0.00 C ATOM 0 H VAL A 80 9.984 7.626 -14.646 1.00 0.00 H new ATOM 0 HA VAL A 80 10.570 6.324 -17.233 1.00 0.00 H new ATOM 0 HB VAL A 80 7.977 7.587 -16.245 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.900 6.227 -18.029 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.085 7.381 -18.686 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.504 5.657 -18.548 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.170 5.290 -15.728 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.796 4.654 -16.072 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.547 5.765 -14.704 1.00 0.00 H new ATOM 1210 N TYR A 81 10.713 8.481 -18.585 1.00 0.00 N ATOM 1211 CA TYR A 81 11.009 9.713 -19.337 1.00 0.00 C ATOM 1212 C TYR A 81 10.062 9.890 -20.527 1.00 0.00 C ATOM 1213 O TYR A 81 9.585 8.915 -21.121 1.00 0.00 O ATOM 1214 CB TYR A 81 12.477 9.691 -19.830 1.00 0.00 C ATOM 1215 CG TYR A 81 13.507 9.756 -18.695 1.00 0.00 C ATOM 1216 CD1 TYR A 81 14.025 8.596 -18.109 1.00 0.00 C ATOM 1217 CD2 TYR A 81 13.956 10.986 -18.208 1.00 0.00 C ATOM 1218 CE1 TYR A 81 14.948 8.665 -17.086 1.00 0.00 C ATOM 1219 CE2 TYR A 81 14.879 11.055 -17.190 1.00 0.00 C ATOM 1220 CZ TYR A 81 15.370 9.899 -16.631 1.00 0.00 C ATOM 1221 OH TYR A 81 16.288 9.973 -15.613 1.00 0.00 O ATOM 0 H TYR A 81 10.910 7.628 -19.108 1.00 0.00 H new ATOM 0 HA TYR A 81 10.861 10.558 -18.664 1.00 0.00 H new ATOM 0 HB2 TYR A 81 12.643 8.783 -20.409 1.00 0.00 H new ATOM 0 HB3 TYR A 81 12.638 10.532 -20.504 1.00 0.00 H new ATOM 0 HD1 TYR A 81 13.697 7.630 -18.464 1.00 0.00 H new ATOM 0 HD2 TYR A 81 13.572 11.899 -18.638 1.00 0.00 H new ATOM 0 HE1 TYR A 81 15.338 7.760 -16.644 1.00 0.00 H new ATOM 0 HE2 TYR A 81 15.217 12.016 -16.831 1.00 0.00 H new ATOM 0 HH TYR A 81 16.479 10.913 -15.413 1.00 0.00 H new ATOM 1231 N LEU A 82 9.792 11.163 -20.837 1.00 0.00 N ATOM 1232 CA LEU A 82 9.103 11.600 -22.051 1.00 0.00 C ATOM 1233 C LEU A 82 9.915 12.759 -22.636 1.00 0.00 C ATOM 1234 O LEU A 82 9.846 13.892 -22.140 1.00 0.00 O ATOM 1235 CB LEU A 82 7.647 12.036 -21.721 1.00 0.00 C ATOM 1236 CG LEU A 82 6.828 12.715 -22.870 1.00 0.00 C ATOM 1237 CD1 LEU A 82 6.660 11.798 -24.100 1.00 0.00 C ATOM 1238 CD2 LEU A 82 5.464 13.212 -22.348 1.00 0.00 C ATOM 0 H LEU A 82 10.056 11.939 -20.230 1.00 0.00 H new ATOM 0 HA LEU A 82 9.031 10.789 -22.776 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.097 11.155 -21.389 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.683 12.726 -20.878 1.00 0.00 H new ATOM 0 HG LEU A 82 7.403 13.578 -23.207 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.085 12.318 -24.866 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.641 11.538 -24.497 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.135 10.889 -23.807 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.911 13.680 -23.162 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.893 12.368 -21.960 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.622 13.939 -21.552 1.00 0.00 H new ATOM 1250 N GLN A 83 10.736 12.460 -23.650 1.00 0.00 N ATOM 1251 CA GLN A 83 11.532 13.474 -24.337 1.00 0.00 C ATOM 1252 C GLN A 83 10.665 14.129 -25.414 1.00 0.00 C ATOM 1253 O GLN A 83 10.451 13.565 -26.493 1.00 0.00 O ATOM 1254 CB GLN A 83 12.816 12.861 -24.956 1.00 0.00 C ATOM 1255 CG GLN A 83 13.760 13.882 -25.639 1.00 0.00 C ATOM 1256 CD GLN A 83 14.269 14.971 -24.683 1.00 0.00 C ATOM 1257 OE1 GLN A 83 15.295 14.801 -24.029 1.00 0.00 O ATOM 1258 NE2 GLN A 83 13.556 16.094 -24.593 1.00 0.00 N ATOM 0 H GLN A 83 10.864 11.515 -24.012 1.00 0.00 H new ATOM 0 HA GLN A 83 11.855 14.226 -23.617 1.00 0.00 H new ATOM 0 HB2 GLN A 83 13.369 12.344 -24.172 1.00 0.00 H new ATOM 0 HB3 GLN A 83 12.525 12.109 -25.690 1.00 0.00 H new ATOM 0 HG2 GLN A 83 14.613 13.351 -26.062 1.00 0.00 H new ATOM 0 HG3 GLN A 83 13.234 14.354 -26.469 1.00 0.00 H new ATOM 0 HE21 GLN A 83 12.708 16.206 -25.149 1.00 0.00 H new ATOM 0 HE22 GLN A 83 13.858 16.841 -23.968 1.00 0.00 H new ATOM 1267 N MET A 84 10.138 15.300 -25.079 1.00 0.00 N ATOM 1268 CA MET A 84 9.398 16.150 -26.006 1.00 0.00 C ATOM 1269 C MET A 84 10.401 17.056 -26.737 1.00 0.00 C ATOM 1270 O MET A 84 11.342 17.564 -26.122 1.00 0.00 O ATOM 1271 CB MET A 84 8.344 16.972 -25.215 1.00 0.00 C ATOM 1272 CG MET A 84 7.192 16.142 -24.632 1.00 0.00 C ATOM 1273 SD MET A 84 6.041 17.120 -23.621 1.00 0.00 S ATOM 1274 CE MET A 84 5.590 18.483 -24.704 1.00 0.00 C ATOM 0 H MET A 84 10.213 15.693 -24.141 1.00 0.00 H new ATOM 0 HA MET A 84 8.864 15.555 -26.748 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.846 17.494 -24.401 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.928 17.734 -25.874 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.641 15.675 -25.448 1.00 0.00 H new ATOM 0 HG3 MET A 84 7.605 15.337 -24.024 1.00 0.00 H new ATOM 0 HE1 MET A 84 4.579 18.815 -24.469 1.00 0.00 H new ATOM 0 HE2 MET A 84 6.286 19.309 -24.559 1.00 0.00 H new ATOM 0 HE3 MET A 84 5.631 18.152 -25.742 1.00 0.00 H new ATOM 1284 N ASN A 85 10.231 17.205 -28.055 1.00 0.00 N ATOM 1285 CA ASN A 85 11.087 18.065 -28.903 1.00 0.00 C ATOM 1286 C ASN A 85 10.288 18.494 -30.136 1.00 0.00 C ATOM 1287 O ASN A 85 9.282 17.849 -30.477 1.00 0.00 O ATOM 1288 CB ASN A 85 12.380 17.314 -29.334 1.00 0.00 C ATOM 1289 CG ASN A 85 13.425 18.182 -30.047 1.00 0.00 C ATOM 1290 OD1 ASN A 85 13.487 19.400 -29.866 1.00 0.00 O ATOM 1291 ND2 ASN A 85 14.260 17.560 -30.859 1.00 0.00 N ATOM 0 H ASN A 85 9.492 16.732 -28.574 1.00 0.00 H new ATOM 0 HA ASN A 85 11.389 18.943 -28.332 1.00 0.00 H new ATOM 0 HB2 ASN A 85 12.838 16.873 -28.449 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.102 16.491 -29.993 1.00 0.00 H new ATOM 0 HD21 ASN A 85 14.978 18.088 -31.354 1.00 0.00 H new ATOM 0 HD22 ASN A 85 14.187 16.551 -30.991 1.00 0.00 H new ATOM 1298 N SER A 86 10.757 19.578 -30.786 1.00 0.00 N ATOM 1299 CA SER A 86 10.122 20.168 -31.970 1.00 0.00 C ATOM 1300 C SER A 86 8.680 20.571 -31.617 1.00 0.00 C ATOM 1301 O SER A 86 7.722 20.234 -32.322 1.00 0.00 O ATOM 1302 CB SER A 86 10.211 19.184 -33.181 1.00 0.00 C ATOM 1303 OG SER A 86 9.717 19.751 -34.391 1.00 0.00 O ATOM 0 H SER A 86 11.601 20.072 -30.495 1.00 0.00 H new ATOM 0 HA SER A 86 10.648 21.072 -32.277 1.00 0.00 H new ATOM 0 HB2 SER A 86 11.249 18.883 -33.323 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.646 18.281 -32.951 1.00 0.00 H new ATOM 0 HG SER A 86 8.832 20.142 -34.232 1.00 0.00 H new ATOM 1309 N LEU A 87 8.559 21.265 -30.484 1.00 0.00 N ATOM 1310 CA LEU A 87 7.269 21.502 -29.819 1.00 0.00 C ATOM 1311 C LEU A 87 6.396 22.503 -30.567 1.00 0.00 C ATOM 1312 O LEU A 87 6.881 23.500 -31.085 1.00 0.00 O ATOM 1313 CB LEU A 87 7.509 21.967 -28.361 1.00 0.00 C ATOM 1314 CG LEU A 87 8.277 20.944 -27.476 1.00 0.00 C ATOM 1315 CD1 LEU A 87 8.403 21.413 -26.019 1.00 0.00 C ATOM 1316 CD2 LEU A 87 7.628 19.555 -27.571 1.00 0.00 C ATOM 0 H LEU A 87 9.353 21.681 -29.997 1.00 0.00 H new ATOM 0 HA LEU A 87 6.724 20.558 -29.817 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.066 22.903 -28.379 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.546 22.178 -27.897 1.00 0.00 H new ATOM 0 HG LEU A 87 9.293 20.872 -27.863 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.947 20.665 -25.442 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.943 22.359 -25.987 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.409 21.548 -25.593 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.179 18.853 -26.945 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.595 19.612 -27.229 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.650 19.213 -28.606 1.00 0.00 H new ATOM 1328 N LYS A 88 5.113 22.195 -30.632 1.00 0.00 N ATOM 1329 CA LYS A 88 4.088 23.072 -31.193 1.00 0.00 C ATOM 1330 C LYS A 88 3.487 23.923 -30.062 1.00 0.00 C ATOM 1331 O LYS A 88 3.522 23.495 -28.909 1.00 0.00 O ATOM 1332 CB LYS A 88 2.999 22.205 -31.881 1.00 0.00 C ATOM 1333 CG LYS A 88 3.480 21.409 -33.109 1.00 0.00 C ATOM 1334 CD LYS A 88 4.038 22.316 -34.233 1.00 0.00 C ATOM 1335 CE LYS A 88 3.014 23.345 -34.761 1.00 0.00 C ATOM 1336 NZ LYS A 88 1.763 22.705 -35.245 1.00 0.00 N ATOM 0 H LYS A 88 4.741 21.309 -30.290 1.00 0.00 H new ATOM 0 HA LYS A 88 4.519 23.740 -31.939 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.596 21.506 -31.148 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.178 22.854 -32.186 1.00 0.00 H new ATOM 0 HG2 LYS A 88 4.253 20.705 -32.800 1.00 0.00 H new ATOM 0 HG3 LYS A 88 2.651 20.820 -33.502 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.914 22.846 -33.860 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.373 21.691 -35.061 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.773 24.053 -33.968 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.464 23.917 -35.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.387 23.244 -36.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.965 21.730 -35.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.060 22.693 -34.479 1.00 0.00 H new ATOM 1350 N PRO A 89 2.950 25.152 -30.355 1.00 0.00 N ATOM 1351 CA PRO A 89 2.289 26.003 -29.331 1.00 0.00 C ATOM 1352 C PRO A 89 1.058 25.315 -28.668 1.00 0.00 C ATOM 1353 O PRO A 89 0.655 25.688 -27.560 1.00 0.00 O ATOM 1354 CB PRO A 89 1.884 27.280 -30.125 1.00 0.00 C ATOM 1355 CG PRO A 89 1.905 26.876 -31.566 1.00 0.00 C ATOM 1356 CD PRO A 89 2.987 25.831 -31.676 1.00 0.00 C ATOM 0 HA PRO A 89 2.948 26.214 -28.489 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.895 27.629 -29.829 1.00 0.00 H new ATOM 0 HB3 PRO A 89 2.580 28.097 -29.936 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.940 26.475 -31.875 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.117 27.730 -32.210 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.791 25.134 -32.491 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.961 26.281 -31.869 1.00 0.00 H new ATOM 1364 N GLU A 90 0.484 24.294 -29.351 1.00 0.00 N ATOM 1365 CA GLU A 90 -0.650 23.481 -28.830 1.00 0.00 C ATOM 1366 C GLU A 90 -0.176 22.378 -27.847 1.00 0.00 C ATOM 1367 O GLU A 90 -0.994 21.604 -27.341 1.00 0.00 O ATOM 1368 CB GLU A 90 -1.494 22.859 -29.992 1.00 0.00 C ATOM 1369 CG GLU A 90 -0.693 22.103 -31.100 1.00 0.00 C ATOM 1370 CD GLU A 90 -0.403 22.951 -32.366 1.00 0.00 C ATOM 1371 OE1 GLU A 90 0.062 24.101 -32.241 1.00 0.00 O ATOM 1372 OE2 GLU A 90 -0.596 22.454 -33.491 1.00 0.00 O ATOM 0 H GLU A 90 0.793 24.008 -30.280 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.291 24.164 -28.273 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.215 22.166 -29.558 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.064 23.658 -30.466 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.253 21.763 -30.680 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.251 21.213 -31.392 1.00 0.00 H new ATOM 1379 N ASP A 91 1.148 22.327 -27.574 1.00 0.00 N ATOM 1380 CA ASP A 91 1.728 21.536 -26.459 1.00 0.00 C ATOM 1381 C ASP A 91 1.753 22.376 -25.161 1.00 0.00 C ATOM 1382 O ASP A 91 2.584 22.164 -24.267 1.00 0.00 O ATOM 1383 CB ASP A 91 3.146 21.014 -26.829 1.00 0.00 C ATOM 1384 CG ASP A 91 3.122 19.924 -27.913 1.00 0.00 C ATOM 1385 OD1 ASP A 91 3.485 20.198 -29.080 1.00 0.00 O ATOM 1386 OD2 ASP A 91 2.724 18.784 -27.596 1.00 0.00 O ATOM 0 H ASP A 91 1.846 22.832 -28.119 1.00 0.00 H new ATOM 0 HA ASP A 91 1.096 20.665 -26.283 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.755 21.849 -27.175 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.626 20.618 -25.934 1.00 0.00 H new ATOM 1391 N THR A 92 0.852 23.363 -25.083 1.00 0.00 N ATOM 1392 CA THR A 92 0.455 23.986 -23.826 1.00 0.00 C ATOM 1393 C THR A 92 -0.602 23.082 -23.155 1.00 0.00 C ATOM 1394 O THR A 92 -1.741 23.004 -23.632 1.00 0.00 O ATOM 1395 CB THR A 92 -0.106 25.421 -24.087 1.00 0.00 C ATOM 1396 OG1 THR A 92 0.950 26.246 -24.610 1.00 0.00 O ATOM 1397 CG2 THR A 92 -0.690 26.071 -22.819 1.00 0.00 C ATOM 0 H THR A 92 0.378 23.750 -25.899 1.00 0.00 H new ATOM 0 HA THR A 92 1.314 24.091 -23.164 1.00 0.00 H new ATOM 0 HB THR A 92 -0.922 25.333 -24.804 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.987 26.151 -25.585 1.00 0.00 H new ATOM 0 HG21 THR A 92 -1.065 27.066 -23.060 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.507 25.458 -22.439 1.00 0.00 H new ATOM 0 HG23 THR A 92 0.088 26.150 -22.059 1.00 0.00 H new ATOM 1405 N ALA A 93 -0.185 22.365 -22.096 1.00 0.00 N ATOM 1406 CA ALA A 93 -1.034 21.399 -21.367 1.00 0.00 C ATOM 1407 C ALA A 93 -0.376 21.004 -20.029 1.00 0.00 C ATOM 1408 O ALA A 93 0.719 21.457 -19.706 1.00 0.00 O ATOM 1409 CB ALA A 93 -1.281 20.146 -22.239 1.00 0.00 C ATOM 0 H ALA A 93 0.759 22.439 -21.717 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.993 21.870 -21.151 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.907 19.441 -21.693 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.783 20.438 -23.162 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.327 19.675 -22.478 1.00 0.00 H new ATOM 1415 N VAL A 94 -1.059 20.170 -19.240 1.00 0.00 N ATOM 1416 CA VAL A 94 -0.485 19.564 -18.027 1.00 0.00 C ATOM 1417 C VAL A 94 -0.280 18.059 -18.272 1.00 0.00 C ATOM 1418 O VAL A 94 -1.242 17.284 -18.343 1.00 0.00 O ATOM 1419 CB VAL A 94 -1.362 19.854 -16.744 1.00 0.00 C ATOM 1420 CG1 VAL A 94 -2.856 19.500 -16.939 1.00 0.00 C ATOM 1421 CG2 VAL A 94 -0.768 19.163 -15.486 1.00 0.00 C ATOM 0 H VAL A 94 -2.024 19.894 -19.420 1.00 0.00 H new ATOM 0 HA VAL A 94 0.483 20.021 -17.822 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.327 20.932 -16.583 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.405 19.721 -16.024 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.266 20.089 -17.759 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.951 18.439 -17.172 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -1.394 19.382 -14.621 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -0.733 18.085 -15.645 1.00 0.00 H new ATOM 0 HG23 VAL A 94 0.240 19.536 -15.308 1.00 0.00 H new ATOM 1431 N TYR A 95 0.988 17.659 -18.436 1.00 0.00 N ATOM 1432 CA TYR A 95 1.370 16.262 -18.661 1.00 0.00 C ATOM 1433 C TYR A 95 1.475 15.546 -17.314 1.00 0.00 C ATOM 1434 O TYR A 95 2.306 15.895 -16.479 1.00 0.00 O ATOM 1435 CB TYR A 95 2.715 16.159 -19.432 1.00 0.00 C ATOM 1436 CG TYR A 95 2.601 16.388 -20.950 1.00 0.00 C ATOM 1437 CD1 TYR A 95 2.679 15.322 -21.852 1.00 0.00 C ATOM 1438 CD2 TYR A 95 2.428 17.664 -21.481 1.00 0.00 C ATOM 1439 CE1 TYR A 95 2.590 15.525 -23.213 1.00 0.00 C ATOM 1440 CE2 TYR A 95 2.335 17.868 -22.848 1.00 0.00 C ATOM 1441 CZ TYR A 95 2.424 16.796 -23.708 1.00 0.00 C ATOM 1442 OH TYR A 95 2.326 16.991 -25.070 1.00 0.00 O ATOM 0 H TYR A 95 1.781 18.301 -18.416 1.00 0.00 H new ATOM 0 HA TYR A 95 0.604 15.786 -19.273 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.412 16.888 -19.019 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.144 15.172 -19.258 1.00 0.00 H new ATOM 0 HD1 TYR A 95 2.812 14.319 -21.475 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.365 18.511 -20.814 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.651 14.685 -23.890 1.00 0.00 H new ATOM 0 HE2 TYR A 95 2.193 18.865 -23.238 1.00 0.00 H new ATOM 0 HH TYR A 95 1.924 16.200 -25.486 1.00 0.00 H new ATOM 1452 N LEU A 96 0.601 14.567 -17.102 1.00 0.00 N ATOM 1453 CA LEU A 96 0.623 13.711 -15.922 1.00 0.00 C ATOM 1454 C LEU A 96 1.099 12.317 -16.331 1.00 0.00 C ATOM 1455 O LEU A 96 0.819 11.847 -17.448 1.00 0.00 O ATOM 1456 CB LEU A 96 -0.788 13.695 -15.242 1.00 0.00 C ATOM 1457 CG LEU A 96 -2.025 13.232 -16.116 1.00 0.00 C ATOM 1458 CD1 LEU A 96 -2.204 11.691 -16.137 1.00 0.00 C ATOM 1459 CD2 LEU A 96 -3.337 13.935 -15.672 1.00 0.00 C ATOM 0 H LEU A 96 -0.152 14.344 -17.753 1.00 0.00 H new ATOM 0 HA LEU A 96 1.321 14.098 -15.180 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.732 13.044 -14.370 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.995 14.701 -14.876 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.803 13.540 -17.138 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -3.067 11.433 -16.751 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.310 11.227 -16.554 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.361 11.329 -15.121 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.163 13.591 -16.295 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.544 13.694 -14.629 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.226 15.014 -15.779 1.00 0.00 H new ATOM 1471 N CYS A 97 1.859 11.687 -15.444 1.00 0.00 N ATOM 1472 CA CYS A 97 2.231 10.286 -15.562 1.00 0.00 C ATOM 1473 C CYS A 97 1.183 9.468 -14.816 1.00 0.00 C ATOM 1474 O CYS A 97 0.649 9.906 -13.785 1.00 0.00 O ATOM 1475 CB CYS A 97 3.630 10.038 -14.986 1.00 0.00 C ATOM 1476 SG CYS A 97 4.203 8.330 -15.132 1.00 0.00 S ATOM 0 H CYS A 97 2.238 12.142 -14.613 1.00 0.00 H new ATOM 0 HA CYS A 97 2.265 9.992 -16.611 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.340 10.692 -15.493 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.632 10.321 -13.933 1.00 0.00 H new ATOM 0 HG CYS A 97 5.463 8.266 -14.817 1.00 0.00 H new ATOM 1482 N ALA A 98 0.886 8.296 -15.343 1.00 0.00 N ATOM 1483 CA ALA A 98 -0.149 7.411 -14.807 1.00 0.00 C ATOM 1484 C ALA A 98 0.400 5.987 -14.708 1.00 0.00 C ATOM 1485 O ALA A 98 1.367 5.654 -15.394 1.00 0.00 O ATOM 1486 CB ALA A 98 -1.388 7.484 -15.704 1.00 0.00 C ATOM 0 H ALA A 98 1.358 7.920 -16.165 1.00 0.00 H new ATOM 0 HA ALA A 98 -0.439 7.726 -13.805 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.162 6.826 -15.309 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -1.760 8.508 -15.728 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -1.125 7.169 -16.714 1.00 0.00 H new ATOM 1492 N ALA A 99 -0.205 5.161 -13.844 1.00 0.00 N ATOM 1493 CA ALA A 99 0.222 3.770 -13.613 1.00 0.00 C ATOM 1494 C ALA A 99 -1.009 2.878 -13.405 1.00 0.00 C ATOM 1495 O ALA A 99 -1.802 3.119 -12.497 1.00 0.00 O ATOM 1496 CB ALA A 99 1.167 3.687 -12.405 1.00 0.00 C ATOM 0 H ALA A 99 -1.009 5.438 -13.281 1.00 0.00 H new ATOM 0 HA ALA A 99 0.767 3.417 -14.488 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.471 2.652 -12.251 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.049 4.300 -12.590 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.653 4.050 -11.515 1.00 0.00 H new ATOM 1502 N GLY A 100 -1.156 1.854 -14.253 1.00 0.00 N ATOM 1503 CA GLY A 100 -2.317 0.963 -14.240 1.00 0.00 C ATOM 1504 C GLY A 100 -1.935 -0.466 -14.541 1.00 0.00 C ATOM 1505 O GLY A 100 -0.813 -0.887 -14.230 1.00 0.00 O ATOM 0 H GLY A 100 -0.469 1.621 -14.970 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -2.801 1.011 -13.264 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.046 1.306 -14.974 1.00 0.00 H new ATOM 1652 N PRO A 110 -5.216 3.377 -16.294 1.00 0.00 N ATOM 1653 CA PRO A 110 -4.504 3.818 -15.073 1.00 0.00 C ATOM 1654 C PRO A 110 -5.387 3.747 -13.807 1.00 0.00 C ATOM 1655 O PRO A 110 -6.518 4.245 -13.789 1.00 0.00 O ATOM 1656 CB PRO A 110 -4.101 5.272 -15.405 1.00 0.00 C ATOM 1657 CG PRO A 110 -5.118 5.740 -16.401 1.00 0.00 C ATOM 1658 CD PRO A 110 -5.472 4.522 -17.223 1.00 0.00 C ATOM 0 HA PRO A 110 -3.655 3.177 -14.837 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.107 5.897 -14.512 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.094 5.317 -15.819 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -5.998 6.145 -15.902 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -4.715 6.534 -17.030 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.512 4.548 -17.549 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -4.858 4.453 -18.121 1.00 0.00 H new ATOM 1666 N ASP A 111 -4.855 3.097 -12.767 1.00 0.00 N ATOM 1667 CA ASP A 111 -5.475 3.030 -11.431 1.00 0.00 C ATOM 1668 C ASP A 111 -4.943 4.175 -10.553 1.00 0.00 C ATOM 1669 O ASP A 111 -5.667 4.730 -9.724 1.00 0.00 O ATOM 1670 CB ASP A 111 -5.183 1.657 -10.773 1.00 0.00 C ATOM 1671 CG ASP A 111 -5.842 0.492 -11.529 1.00 0.00 C ATOM 1672 OD1 ASP A 111 -7.036 0.210 -11.277 1.00 0.00 O ATOM 1673 OD2 ASP A 111 -5.182 -0.135 -12.391 1.00 0.00 O ATOM 0 H ASP A 111 -3.969 2.594 -12.826 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.555 3.138 -11.532 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.105 1.498 -10.734 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.541 1.667 -9.744 1.00 0.00 H new ATOM 1678 N TYR A 112 -3.667 4.520 -10.765 1.00 0.00 N ATOM 1679 CA TYR A 112 -2.953 5.574 -10.021 1.00 0.00 C ATOM 1680 C TYR A 112 -2.527 6.684 -10.994 1.00 0.00 C ATOM 1681 O TYR A 112 -2.332 6.429 -12.190 1.00 0.00 O ATOM 1682 CB TYR A 112 -1.703 4.980 -9.314 1.00 0.00 C ATOM 1683 CG TYR A 112 -2.019 3.824 -8.350 1.00 0.00 C ATOM 1684 CD1 TYR A 112 -2.357 4.067 -7.013 1.00 0.00 C ATOM 1685 CD2 TYR A 112 -2.002 2.493 -8.785 1.00 0.00 C ATOM 1686 CE1 TYR A 112 -2.653 3.028 -6.150 1.00 0.00 C ATOM 1687 CE2 TYR A 112 -2.297 1.454 -7.922 1.00 0.00 C ATOM 1688 CZ TYR A 112 -2.626 1.726 -6.610 1.00 0.00 C ATOM 1689 OH TYR A 112 -2.927 0.690 -5.753 1.00 0.00 O ATOM 0 H TYR A 112 -3.087 4.067 -11.472 1.00 0.00 H new ATOM 0 HA TYR A 112 -3.616 5.990 -9.263 1.00 0.00 H new ATOM 0 HB2 TYR A 112 -1.004 4.627 -10.072 1.00 0.00 H new ATOM 0 HB3 TYR A 112 -1.200 5.773 -8.761 1.00 0.00 H new ATOM 0 HD1 TYR A 112 -2.387 5.084 -6.650 1.00 0.00 H new ATOM 0 HD2 TYR A 112 -1.754 2.274 -9.813 1.00 0.00 H new ATOM 0 HE1 TYR A 112 -2.904 3.234 -5.120 1.00 0.00 H new ATOM 0 HE2 TYR A 112 -2.270 0.433 -8.274 1.00 0.00 H new ATOM 0 HH TYR A 112 -2.863 -0.161 -6.234 1.00 0.00 H new ATOM 1699 N TRP A 113 -2.403 7.910 -10.470 1.00 0.00 N ATOM 1700 CA TRP A 113 -1.936 9.089 -11.221 1.00 0.00 C ATOM 1701 C TRP A 113 -0.919 9.852 -10.362 1.00 0.00 C ATOM 1702 O TRP A 113 -0.914 9.724 -9.126 1.00 0.00 O ATOM 1703 CB TRP A 113 -3.128 10.015 -11.610 1.00 0.00 C ATOM 1704 CG TRP A 113 -4.126 9.371 -12.552 1.00 0.00 C ATOM 1705 CD1 TRP A 113 -4.075 9.351 -13.919 1.00 0.00 C ATOM 1706 CD2 TRP A 113 -5.312 8.639 -12.192 1.00 0.00 C ATOM 1707 NE1 TRP A 113 -5.148 8.664 -14.424 1.00 0.00 N ATOM 1708 CE2 TRP A 113 -5.922 8.217 -13.387 1.00 0.00 C ATOM 1709 CE3 TRP A 113 -5.913 8.304 -10.975 1.00 0.00 C ATOM 1710 CZ2 TRP A 113 -7.101 7.480 -13.401 1.00 0.00 C ATOM 1711 CZ3 TRP A 113 -7.083 7.571 -10.988 1.00 0.00 C ATOM 1712 CH2 TRP A 113 -7.668 7.165 -12.194 1.00 0.00 C ATOM 0 H TRP A 113 -2.627 8.117 -9.497 1.00 0.00 H new ATOM 0 HA TRP A 113 -1.463 8.760 -12.146 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -3.647 10.323 -10.702 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -2.736 10.919 -12.075 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -3.300 9.811 -14.515 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -5.339 8.510 -15.414 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -5.469 8.613 -10.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -7.554 7.167 -14.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -7.555 7.306 -10.053 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -8.584 6.593 -12.172 1.00 0.00 H new ATOM 1723 N GLY A 114 -0.066 10.642 -11.027 1.00 0.00 N ATOM 1724 CA GLY A 114 0.956 11.435 -10.356 1.00 0.00 C ATOM 1725 C GLY A 114 0.458 12.814 -9.944 1.00 0.00 C ATOM 1726 O GLY A 114 -0.726 12.990 -9.626 1.00 0.00 O ATOM 0 H GLY A 114 -0.070 10.745 -12.042 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.302 10.900 -9.472 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.815 11.547 -11.018 1.00 0.00 H new ATOM 1730 N GLN A 115 1.373 13.798 -9.960 1.00 0.00 N ATOM 1731 CA GLN A 115 1.096 15.181 -9.515 1.00 0.00 C ATOM 1732 C GLN A 115 0.688 16.084 -10.695 1.00 0.00 C ATOM 1733 O GLN A 115 -0.151 16.985 -10.533 1.00 0.00 O ATOM 1734 CB GLN A 115 2.336 15.749 -8.779 1.00 0.00 C ATOM 1735 CG GLN A 115 2.720 14.951 -7.513 1.00 0.00 C ATOM 1736 CD GLN A 115 3.937 15.519 -6.788 1.00 0.00 C ATOM 1737 OE1 GLN A 115 5.119 15.083 -7.178 1.00 0.00 O flip ATOM 1738 NE2 GLN A 115 3.816 16.361 -5.898 1.00 0.00 N flip ATOM 0 H GLN A 115 2.331 13.659 -10.283 1.00 0.00 H new ATOM 0 HA GLN A 115 0.253 15.161 -8.824 1.00 0.00 H new ATOM 0 HB2 GLN A 115 3.183 15.757 -9.465 1.00 0.00 H new ATOM 0 HB3 GLN A 115 2.141 16.785 -8.501 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.872 14.938 -6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.921 13.916 -7.791 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.888 16.678 -5.619 1.00 0.00 H new ATOM 0 HE22 GLN A 115 4.644 16.742 -5.440 1.00 0.00 H new ATOM 1747 N GLY A 116 1.281 15.826 -11.874 1.00 0.00 N ATOM 1748 CA GLY A 116 0.988 16.574 -13.102 1.00 0.00 C ATOM 1749 C GLY A 116 1.871 17.806 -13.240 1.00 0.00 C ATOM 1750 O GLY A 116 1.792 18.721 -12.413 1.00 0.00 O ATOM 0 H GLY A 116 1.977 15.091 -11.999 1.00 0.00 H new ATOM 0 HA2 GLY A 116 1.133 15.925 -13.966 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -0.059 16.876 -13.102 1.00 0.00 H new ATOM 1754 N THR A 117 2.716 17.825 -14.281 1.00 0.00 N ATOM 1755 CA THR A 117 3.631 18.940 -14.567 1.00 0.00 C ATOM 1756 C THR A 117 3.044 19.850 -15.678 1.00 0.00 C ATOM 1757 O THR A 117 2.770 19.402 -16.805 1.00 0.00 O ATOM 1758 CB THR A 117 5.069 18.411 -14.941 1.00 0.00 C ATOM 1759 OG1 THR A 117 5.946 19.499 -15.255 1.00 0.00 O ATOM 1760 CG2 THR A 117 5.060 17.409 -16.109 1.00 0.00 C ATOM 0 H THR A 117 2.784 17.061 -14.953 1.00 0.00 H new ATOM 0 HA THR A 117 3.737 19.543 -13.665 1.00 0.00 H new ATOM 0 HB THR A 117 5.432 17.883 -14.059 1.00 0.00 H new ATOM 0 HG1 THR A 117 6.866 19.168 -15.326 1.00 0.00 H new ATOM 0 HG21 THR A 117 6.079 17.083 -16.317 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.450 16.546 -15.843 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.644 17.887 -16.996 1.00 0.00 H new ATOM 1768 N GLN A 118 2.799 21.127 -15.317 1.00 0.00 N ATOM 1769 CA GLN A 118 2.271 22.156 -16.232 1.00 0.00 C ATOM 1770 C GLN A 118 3.361 22.616 -17.211 1.00 0.00 C ATOM 1771 O GLN A 118 4.305 23.307 -16.820 1.00 0.00 O ATOM 1772 CB GLN A 118 1.722 23.375 -15.422 1.00 0.00 C ATOM 1773 CG GLN A 118 0.370 23.133 -14.704 1.00 0.00 C ATOM 1774 CD GLN A 118 -0.890 23.354 -15.581 1.00 0.00 C ATOM 1775 OE1 GLN A 118 -0.809 23.142 -16.905 1.00 0.00 O flip ATOM 1776 NE2 GLN A 118 -1.943 23.727 -15.064 1.00 0.00 N flip ATOM 0 H GLN A 118 2.964 21.474 -14.372 1.00 0.00 H new ATOM 0 HA GLN A 118 1.452 21.720 -16.804 1.00 0.00 H new ATOM 0 HB2 GLN A 118 2.465 23.661 -14.677 1.00 0.00 H new ATOM 0 HB3 GLN A 118 1.609 24.221 -16.100 1.00 0.00 H new ATOM 0 HG2 GLN A 118 0.355 22.111 -14.325 1.00 0.00 H new ATOM 0 HG3 GLN A 118 0.312 23.794 -13.839 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -1.989 23.884 -14.057 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -2.769 23.879 -15.642 1.00 0.00 H new ATOM 1785 N VAL A 119 3.246 22.189 -18.471 1.00 0.00 N ATOM 1786 CA VAL A 119 4.126 22.645 -19.559 1.00 0.00 C ATOM 1787 C VAL A 119 3.352 23.676 -20.410 1.00 0.00 C ATOM 1788 O VAL A 119 2.136 23.545 -20.614 1.00 0.00 O ATOM 1789 CB VAL A 119 4.630 21.427 -20.438 1.00 0.00 C ATOM 1790 CG1 VAL A 119 5.157 20.274 -19.532 1.00 0.00 C ATOM 1791 CG2 VAL A 119 3.549 20.916 -21.420 1.00 0.00 C ATOM 0 H VAL A 119 2.540 21.516 -18.770 1.00 0.00 H new ATOM 0 HA VAL A 119 5.017 23.114 -19.141 1.00 0.00 H new ATOM 0 HB VAL A 119 5.455 21.794 -21.048 1.00 0.00 H new ATOM 0 HG11 VAL A 119 5.498 19.448 -20.156 1.00 0.00 H new ATOM 0 HG12 VAL A 119 5.987 20.638 -18.926 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.355 19.929 -18.879 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.947 20.081 -21.997 1.00 0.00 H new ATOM 0 HG22 VAL A 119 2.675 20.585 -20.859 1.00 0.00 H new ATOM 0 HG23 VAL A 119 3.262 21.721 -22.097 1.00 0.00 H new ATOM 1801 N THR A 120 4.017 24.742 -20.844 1.00 0.00 N ATOM 1802 CA THR A 120 3.417 25.724 -21.751 1.00 0.00 C ATOM 1803 C THR A 120 4.428 26.051 -22.842 1.00 0.00 C ATOM 1804 O THR A 120 5.536 26.493 -22.548 1.00 0.00 O ATOM 1805 CB THR A 120 2.972 27.007 -20.971 1.00 0.00 C ATOM 1806 OG1 THR A 120 2.102 26.628 -19.894 1.00 0.00 O ATOM 1807 CG2 THR A 120 2.241 28.025 -21.872 1.00 0.00 C ATOM 0 H THR A 120 4.980 24.952 -20.581 1.00 0.00 H new ATOM 0 HA THR A 120 2.518 25.310 -22.207 1.00 0.00 H new ATOM 0 HB THR A 120 3.875 27.488 -20.595 1.00 0.00 H new ATOM 0 HG1 THR A 120 1.822 27.428 -19.402 1.00 0.00 H new ATOM 0 HG21 THR A 120 1.955 28.895 -21.281 1.00 0.00 H new ATOM 0 HG22 THR A 120 2.903 28.337 -22.680 1.00 0.00 H new ATOM 0 HG23 THR A 120 1.348 27.563 -22.293 1.00 0.00 H new ATOM 1815 N VAL A 121 4.077 25.768 -24.091 1.00 0.00 N ATOM 1816 CA VAL A 121 4.910 26.133 -25.236 1.00 0.00 C ATOM 1817 C VAL A 121 4.410 27.465 -25.820 1.00 0.00 C ATOM 1818 O VAL A 121 3.350 27.502 -26.463 1.00 0.00 O ATOM 1819 CB VAL A 121 4.904 25.002 -26.321 1.00 0.00 C ATOM 1820 CG1 VAL A 121 5.829 25.354 -27.509 1.00 0.00 C ATOM 1821 CG2 VAL A 121 5.298 23.645 -25.694 1.00 0.00 C ATOM 0 H VAL A 121 3.215 25.283 -24.340 1.00 0.00 H new ATOM 0 HA VAL A 121 5.941 26.254 -24.904 1.00 0.00 H new ATOM 0 HB VAL A 121 3.890 24.917 -26.711 1.00 0.00 H new ATOM 0 HG11 VAL A 121 5.801 24.549 -28.243 1.00 0.00 H new ATOM 0 HG12 VAL A 121 5.489 26.280 -27.973 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.850 25.482 -27.150 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.288 22.872 -26.463 1.00 0.00 H new ATOM 0 HG22 VAL A 121 6.298 23.718 -25.266 1.00 0.00 H new ATOM 0 HG23 VAL A 121 4.586 23.386 -24.910 1.00 0.00 H new ATOM 1831 N SER A 122 5.142 28.567 -25.529 1.00 0.00 N ATOM 1832 CA SER A 122 4.878 29.880 -26.145 1.00 0.00 C ATOM 1833 C SER A 122 5.177 29.842 -27.659 1.00 0.00 C ATOM 1834 O SER A 122 6.146 29.203 -28.099 1.00 0.00 O ATOM 1835 CB SER A 122 5.713 30.989 -25.467 1.00 0.00 C ATOM 1836 OG SER A 122 5.451 32.272 -26.024 1.00 0.00 O ATOM 0 H SER A 122 5.920 28.567 -24.870 1.00 0.00 H new ATOM 0 HA SER A 122 3.822 30.108 -26.002 1.00 0.00 H new ATOM 0 HB2 SER A 122 5.494 31.006 -24.399 1.00 0.00 H new ATOM 0 HB3 SER A 122 6.773 30.759 -25.571 1.00 0.00 H new ATOM 0 HG SER A 122 5.997 32.945 -25.567 1.00 0.00 H new ATOM 1842 N SER A 123 4.318 30.520 -28.437 1.00 0.00 N ATOM 1843 CA SER A 123 4.454 30.646 -29.894 1.00 0.00 C ATOM 1844 C SER A 123 5.649 31.562 -30.230 1.00 0.00 C ATOM 1845 O SER A 123 5.545 32.788 -30.071 1.00 0.00 O ATOM 1846 CB SER A 123 3.135 31.210 -30.476 1.00 0.00 C ATOM 1847 OG SER A 123 2.015 30.497 -29.980 1.00 0.00 O ATOM 0 H SER A 123 3.499 31.002 -28.065 1.00 0.00 H new ATOM 0 HA SER A 123 4.644 29.670 -30.340 1.00 0.00 H new ATOM 0 HB2 SER A 123 3.042 32.265 -30.219 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.157 31.148 -31.564 1.00 0.00 H new ATOM 0 HG SER A 123 1.194 30.872 -30.360 1.00 0.00 H new ATOM 1853 N LEU A 124 6.786 30.926 -30.605 1.00 0.00 N ATOM 1854 CA LEU A 124 8.059 31.582 -30.996 1.00 0.00 C ATOM 1855 C LEU A 124 8.860 32.041 -29.753 1.00 0.00 C ATOM 1856 O LEU A 124 10.047 31.717 -29.611 1.00 0.00 O ATOM 1857 CB LEU A 124 7.834 32.760 -32.021 1.00 0.00 C ATOM 1858 CG LEU A 124 8.993 33.080 -33.031 1.00 0.00 C ATOM 1859 CD1 LEU A 124 10.246 33.683 -32.357 1.00 0.00 C ATOM 1860 CD2 LEU A 124 9.336 31.827 -33.869 1.00 0.00 C ATOM 0 H LEU A 124 6.844 29.908 -30.645 1.00 0.00 H new ATOM 0 HA LEU A 124 8.659 30.834 -31.514 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.938 32.535 -32.599 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.626 33.666 -31.451 1.00 0.00 H new ATOM 0 HG LEU A 124 8.626 33.858 -33.701 1.00 0.00 H new ATOM 0 HD11 LEU A 124 11.007 33.879 -33.113 1.00 0.00 H new ATOM 0 HD12 LEU A 124 9.979 34.616 -31.860 1.00 0.00 H new ATOM 0 HD13 LEU A 124 10.638 32.980 -31.622 1.00 0.00 H new ATOM 0 HD21 LEU A 124 10.141 32.064 -34.565 1.00 0.00 H new ATOM 0 HD22 LEU A 124 9.654 31.022 -33.206 1.00 0.00 H new ATOM 0 HD23 LEU A 124 8.455 31.511 -34.428 1.00 0.00 H new