USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 787 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 15 SER OG : rot -69:sc= 0.00584 USER MOD Set 1.2: A 55 ASN : amide:sc= -0.48 K(o=-0.62,f=-3.6!) USER MOD Set 1.3: A 56 SER OG : rot 138:sc= 0.0119 USER MOD Set 1.4: A 87 ASN : amide:sc= -0.102 X(o=-0.62,f=-0.47) USER MOD Set 1.5: A 89 MET CE :methyl 143:sc= -0.0545 (180deg=-0.0929) USER MOD Set 1.6: A 94 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 51 GLN : amide:sc=-0.00289 X(o=-3.2,f=-3.6) USER MOD Set 2.2: A 53 ASN : amide:sc= -3.22! C(o=-3.2!,f=-6.2!) USER MOD Set 3.1: A 34 TYR OH : rot 63:sc= 0.73 USER MOD Set 3.2: A 40 SER OG : rot -19:sc= 0.622 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.006) USER MOD Single : A 3 MET CE :methyl -163:sc= -0.053 (180deg=-0.436) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.942 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot -80:sc= 1.37 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0295 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.292 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 31 SER OG : rot 72:sc= 1.27 USER MOD Single : A 33 MET CE :methyl -161:sc= -1.73 (180deg=-2.3) USER MOD Single : A 36 MET CE :methyl 180:sc= -0.705 (180deg=-0.705) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 28:sc= 0.317 USER MOD Single : A 61 THR OG1 : rot 150:sc= -2.15! USER MOD Single : A 62 SER OG : rot 80:sc= -0.47 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -122:sc= 1.06 (180deg=-0.75) USER MOD Single : A 76 CYS SG : rot 180:sc= -2.07! USER MOD Single : A 90 THR OG1 : rot 141:sc= 1.56 USER MOD Single : A 97 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 164:sc= -0.0508 (180deg=-0.249) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.115 6.706 -5.293 1.00 0.00 N ATOM 2 CA GLY A 1 1.709 6.324 -5.218 1.00 0.00 C ATOM 3 C GLY A 1 1.421 5.155 -6.107 1.00 0.00 C ATOM 4 O GLY A 1 2.070 4.109 -6.006 1.00 0.00 O ATOM 0 H1 GLY A 1 3.288 7.519 -4.667 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.708 5.906 -4.994 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.352 6.966 -6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.451 6.075 -4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.083 7.168 -5.508 1.00 0.00 H new ATOM 8 N HIS A 2 0.479 5.323 -6.998 1.00 0.00 N ATOM 9 CA HIS A 2 0.077 4.275 -7.900 1.00 0.00 C ATOM 10 C HIS A 2 0.218 4.704 -9.329 1.00 0.00 C ATOM 11 O HIS A 2 -0.207 5.794 -9.714 1.00 0.00 O ATOM 12 CB HIS A 2 -1.378 3.831 -7.657 1.00 0.00 C ATOM 13 CG HIS A 2 -1.609 3.075 -6.389 1.00 0.00 C ATOM 14 ND1 HIS A 2 -2.446 3.510 -5.397 1.00 0.00 N ATOM 15 CD2 HIS A 2 -1.155 1.871 -5.990 1.00 0.00 C ATOM 16 CE1 HIS A 2 -2.501 2.608 -4.448 1.00 0.00 C ATOM 17 NE2 HIS A 2 -1.725 1.603 -4.785 1.00 0.00 N ATOM 0 H HIS A 2 -0.034 6.196 -7.119 1.00 0.00 H new ATOM 0 HA HIS A 2 0.740 3.432 -7.703 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -2.015 4.715 -7.655 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -1.696 3.210 -8.495 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.466 1.236 -6.528 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -3.085 2.679 -3.542 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -1.575 0.759 -4.233 1.00 0.00 H new ATOM 25 N MET A 3 0.808 3.841 -10.109 1.00 0.00 N ATOM 26 CA MET A 3 0.908 4.021 -11.552 1.00 0.00 C ATOM 27 C MET A 3 -0.062 3.028 -12.183 1.00 0.00 C ATOM 28 O MET A 3 0.019 2.681 -13.359 1.00 0.00 O ATOM 29 CB MET A 3 2.353 3.784 -12.045 1.00 0.00 C ATOM 30 CG MET A 3 2.892 2.381 -11.789 1.00 0.00 C ATOM 31 SD MET A 3 4.603 2.160 -12.341 1.00 0.00 S ATOM 32 CE MET A 3 4.445 2.435 -14.111 1.00 0.00 C ATOM 0 H MET A 3 1.240 2.982 -9.769 1.00 0.00 H new ATOM 0 HA MET A 3 0.654 5.043 -11.835 1.00 0.00 H new ATOM 0 HB2 MET A 3 2.395 3.985 -13.116 1.00 0.00 H new ATOM 0 HB3 MET A 3 3.011 4.505 -11.560 1.00 0.00 H new ATOM 0 HG2 MET A 3 2.831 2.165 -10.722 1.00 0.00 H new ATOM 0 HG3 MET A 3 2.257 1.656 -12.298 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.326 2.045 -14.620 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.556 1.924 -14.481 1.00 0.00 H new ATOM 0 HE3 MET A 3 4.357 3.504 -14.307 1.00 0.00 H new ATOM 42 N GLU A 4 -0.993 2.604 -11.345 1.00 0.00 N ATOM 43 CA GLU A 4 -2.015 1.680 -11.658 1.00 0.00 C ATOM 44 C GLU A 4 -2.992 2.310 -12.651 1.00 0.00 C ATOM 45 O GLU A 4 -3.138 3.543 -12.705 1.00 0.00 O ATOM 46 CB GLU A 4 -2.733 1.333 -10.359 1.00 0.00 C ATOM 47 CG GLU A 4 -3.805 0.294 -10.496 1.00 0.00 C ATOM 48 CD GLU A 4 -4.580 0.086 -9.227 1.00 0.00 C ATOM 49 OE1 GLU A 4 -5.584 0.793 -9.011 1.00 0.00 O ATOM 50 OE2 GLU A 4 -4.195 -0.778 -8.415 1.00 0.00 O ATOM 0 H GLU A 4 -1.039 2.927 -10.379 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.600 0.781 -12.113 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.997 0.983 -9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.176 2.241 -9.950 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.490 0.589 -11.291 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.353 -0.650 -10.799 1.00 0.00 H new ATOM 57 N GLY A 5 -3.632 1.492 -13.420 1.00 0.00 N ATOM 58 CA GLY A 5 -4.572 1.959 -14.378 1.00 0.00 C ATOM 59 C GLY A 5 -4.707 0.967 -15.461 1.00 0.00 C ATOM 60 O GLY A 5 -5.806 0.523 -15.800 1.00 0.00 O ATOM 0 H GLY A 5 -3.516 0.479 -13.400 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.538 2.127 -13.903 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -4.246 2.916 -14.786 1.00 0.00 H new ATOM 64 N LYS A 6 -3.580 0.578 -15.964 1.00 0.00 N ATOM 65 CA LYS A 6 -3.489 -0.346 -17.023 1.00 0.00 C ATOM 66 C LYS A 6 -2.130 -1.014 -16.977 1.00 0.00 C ATOM 67 O LYS A 6 -1.135 -0.384 -16.631 1.00 0.00 O ATOM 68 CB LYS A 6 -3.767 0.364 -18.382 1.00 0.00 C ATOM 69 CG LYS A 6 -2.825 1.523 -18.730 1.00 0.00 C ATOM 70 CD LYS A 6 -1.517 1.039 -19.344 1.00 0.00 C ATOM 71 CE LYS A 6 -0.542 2.183 -19.538 1.00 0.00 C ATOM 72 NZ LYS A 6 0.710 1.730 -20.163 1.00 0.00 N ATOM 0 H LYS A 6 -2.675 0.911 -15.631 1.00 0.00 H new ATOM 0 HA LYS A 6 -4.246 -1.123 -16.919 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.709 -0.379 -19.178 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.790 0.741 -18.372 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.323 2.197 -19.427 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.610 2.097 -17.829 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.069 0.282 -18.700 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.718 0.563 -20.304 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.002 2.952 -20.159 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.322 2.642 -18.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.352 2.540 -20.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.161 1.015 -19.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.503 1.315 -21.094 1.00 0.00 H new ATOM 86 N ASN A 7 -2.118 -2.281 -17.236 1.00 0.00 N ATOM 87 CA ASN A 7 -0.896 -3.083 -17.328 1.00 0.00 C ATOM 88 C ASN A 7 -0.973 -3.824 -18.627 1.00 0.00 C ATOM 89 O ASN A 7 -0.256 -4.795 -18.877 1.00 0.00 O ATOM 90 CB ASN A 7 -0.811 -4.103 -16.181 1.00 0.00 C ATOM 91 CG ASN A 7 -0.896 -3.488 -14.815 1.00 0.00 C ATOM 92 OD1 ASN A 7 -0.314 -2.360 -14.662 1.00 0.00 O flip ATOM 93 ND2 ASN A 7 -1.456 -4.063 -13.886 1.00 0.00 N flip ATOM 0 H ASN A 7 -2.969 -2.820 -17.397 1.00 0.00 H new ATOM 0 HA ASN A 7 -0.019 -2.438 -17.266 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -1.616 -4.829 -16.293 1.00 0.00 H new ATOM 0 HB3 ASN A 7 0.127 -4.652 -16.264 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.911 -4.962 -14.043 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.466 -3.641 -12.957 1.00 0.00 H new ATOM 100 N LYS A 8 -1.857 -3.341 -19.455 1.00 0.00 N ATOM 101 CA LYS A 8 -2.162 -3.925 -20.704 1.00 0.00 C ATOM 102 C LYS A 8 -2.075 -2.885 -21.786 1.00 0.00 C ATOM 103 O LYS A 8 -2.904 -1.981 -21.876 1.00 0.00 O ATOM 104 CB LYS A 8 -3.565 -4.533 -20.664 1.00 0.00 C ATOM 105 CG LYS A 8 -4.057 -5.161 -21.969 1.00 0.00 C ATOM 106 CD LYS A 8 -3.427 -6.520 -22.320 1.00 0.00 C ATOM 107 CE LYS A 8 -2.093 -6.390 -23.036 1.00 0.00 C ATOM 108 NZ LYS A 8 -1.572 -7.693 -23.485 1.00 0.00 N ATOM 0 H LYS A 8 -2.397 -2.498 -19.259 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.443 -4.716 -20.917 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.588 -5.295 -19.885 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.269 -3.755 -20.369 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.138 -5.284 -21.909 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.860 -4.466 -22.785 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.287 -7.096 -21.405 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.117 -7.082 -22.949 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.207 -5.731 -23.896 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.369 -5.922 -22.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.661 -7.555 -23.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.437 -8.315 -22.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.249 -8.130 -24.142 1.00 0.00 H new ATOM 122 N PHE A 9 -1.026 -2.956 -22.521 1.00 0.00 N ATOM 123 CA PHE A 9 -0.885 -2.171 -23.717 1.00 0.00 C ATOM 124 C PHE A 9 -1.743 -2.795 -24.784 1.00 0.00 C ATOM 125 O PHE A 9 -1.533 -3.950 -25.172 1.00 0.00 O ATOM 126 CB PHE A 9 0.561 -2.116 -24.206 1.00 0.00 C ATOM 127 CG PHE A 9 1.486 -1.249 -23.408 1.00 0.00 C ATOM 128 CD1 PHE A 9 2.001 -1.669 -22.198 1.00 0.00 C ATOM 129 CD2 PHE A 9 1.858 -0.013 -23.895 1.00 0.00 C ATOM 130 CE1 PHE A 9 2.869 -0.865 -21.489 1.00 0.00 C ATOM 131 CE2 PHE A 9 2.730 0.794 -23.195 1.00 0.00 C ATOM 132 CZ PHE A 9 3.236 0.367 -21.989 1.00 0.00 C ATOM 0 H PHE A 9 -0.230 -3.561 -22.319 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.193 -1.148 -23.499 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.961 -3.130 -24.215 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.563 -1.764 -25.238 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.722 -2.635 -21.803 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.460 0.328 -24.839 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.262 -1.201 -20.541 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.015 1.757 -23.592 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.919 0.995 -21.435 1.00 0.00 H new ATOM 142 N ASN A 10 -2.702 -2.069 -25.236 1.00 0.00 N ATOM 143 CA ASN A 10 -3.612 -2.564 -26.234 1.00 0.00 C ATOM 144 C ASN A 10 -3.095 -2.165 -27.584 1.00 0.00 C ATOM 145 O ASN A 10 -1.987 -1.611 -27.680 1.00 0.00 O ATOM 146 CB ASN A 10 -5.028 -2.041 -25.982 1.00 0.00 C ATOM 147 CG ASN A 10 -5.643 -2.648 -24.734 1.00 0.00 C ATOM 148 OD1 ASN A 10 -6.344 -3.661 -24.807 1.00 0.00 O ATOM 149 ND2 ASN A 10 -5.336 -2.090 -23.581 1.00 0.00 N ATOM 0 H ASN A 10 -2.887 -1.113 -24.931 1.00 0.00 H new ATOM 0 HA ASN A 10 -3.672 -3.651 -26.186 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -5.002 -0.956 -25.883 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.657 -2.267 -26.843 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.680 -2.495 -22.711 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.754 -1.253 -23.559 1.00 0.00 H new ATOM 156 N THR A 11 -3.826 -2.418 -28.621 1.00 0.00 N ATOM 157 CA THR A 11 -3.318 -2.108 -29.908 1.00 0.00 C ATOM 158 C THR A 11 -4.397 -1.466 -30.798 1.00 0.00 C ATOM 159 O THR A 11 -5.530 -1.953 -30.904 1.00 0.00 O ATOM 160 CB THR A 11 -2.644 -3.363 -30.540 1.00 0.00 C ATOM 161 OG1 THR A 11 -1.903 -3.023 -31.720 1.00 0.00 O ATOM 162 CG2 THR A 11 -3.653 -4.463 -30.849 1.00 0.00 C ATOM 0 H THR A 11 -4.759 -2.831 -28.600 1.00 0.00 H new ATOM 0 HA THR A 11 -2.538 -1.353 -29.813 1.00 0.00 H new ATOM 0 HB THR A 11 -1.949 -3.749 -29.794 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.491 -3.831 -32.092 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.137 -5.317 -31.288 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.148 -4.772 -29.928 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.396 -4.088 -31.552 1.00 0.00 H new ATOM 170 N TYR A 12 -4.049 -0.345 -31.384 1.00 0.00 N ATOM 171 CA TYR A 12 -4.955 0.424 -32.202 1.00 0.00 C ATOM 172 C TYR A 12 -4.333 0.752 -33.530 1.00 0.00 C ATOM 173 O TYR A 12 -3.130 0.661 -33.690 1.00 0.00 O ATOM 174 CB TYR A 12 -5.340 1.725 -31.501 1.00 0.00 C ATOM 175 CG TYR A 12 -6.250 1.564 -30.312 1.00 0.00 C ATOM 176 CD1 TYR A 12 -5.735 1.393 -29.035 1.00 0.00 C ATOM 177 CD2 TYR A 12 -7.626 1.604 -30.467 1.00 0.00 C ATOM 178 CE1 TYR A 12 -6.565 1.262 -27.946 1.00 0.00 C ATOM 179 CE2 TYR A 12 -8.467 1.479 -29.380 1.00 0.00 C ATOM 180 CZ TYR A 12 -7.929 1.305 -28.121 1.00 0.00 C ATOM 181 OH TYR A 12 -8.761 1.185 -27.025 1.00 0.00 O ATOM 0 H TYR A 12 -3.118 0.063 -31.305 1.00 0.00 H new ATOM 0 HA TYR A 12 -5.846 -0.182 -32.363 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.429 2.228 -31.177 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -5.825 2.380 -32.225 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.665 1.362 -28.894 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.047 1.735 -31.453 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.148 1.126 -26.959 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -9.538 1.517 -29.514 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.695 1.237 -27.316 1.00 0.00 H new ATOM 191 N VAL A 13 -5.168 1.123 -34.448 1.00 0.00 N ATOM 192 CA VAL A 13 -4.815 1.537 -35.783 1.00 0.00 C ATOM 193 C VAL A 13 -5.459 2.895 -36.093 1.00 0.00 C ATOM 194 O VAL A 13 -6.612 3.137 -35.761 1.00 0.00 O ATOM 195 CB VAL A 13 -5.245 0.461 -36.850 1.00 0.00 C ATOM 196 CG1 VAL A 13 -5.262 1.025 -38.255 1.00 0.00 C ATOM 197 CG2 VAL A 13 -4.275 -0.686 -36.825 1.00 0.00 C ATOM 0 H VAL A 13 -6.174 1.149 -34.283 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.731 1.636 -35.837 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.253 0.137 -36.590 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.564 0.247 -38.956 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.968 1.854 -38.306 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.266 1.381 -38.516 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.573 -1.430 -37.563 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.275 -0.322 -37.060 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.273 -1.139 -35.834 1.00 0.00 H new ATOM 207 N VAL A 14 -4.713 3.763 -36.699 1.00 0.00 N ATOM 208 CA VAL A 14 -5.213 5.044 -37.081 1.00 0.00 C ATOM 209 C VAL A 14 -5.167 5.160 -38.580 1.00 0.00 C ATOM 210 O VAL A 14 -4.245 4.683 -39.213 1.00 0.00 O ATOM 211 CB VAL A 14 -4.452 6.211 -36.403 1.00 0.00 C ATOM 212 CG1 VAL A 14 -2.958 6.145 -36.674 1.00 0.00 C ATOM 213 CG2 VAL A 14 -5.032 7.566 -36.826 1.00 0.00 C ATOM 0 H VAL A 14 -3.736 3.602 -36.944 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.244 5.124 -36.737 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.589 6.106 -35.327 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.462 6.981 -36.181 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.559 5.207 -36.288 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.780 6.200 -37.748 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -4.479 8.367 -36.336 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.948 7.676 -37.907 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.081 7.619 -36.536 1.00 0.00 H new ATOM 223 N SER A 15 -6.188 5.703 -39.130 1.00 0.00 N ATOM 224 CA SER A 15 -6.301 5.886 -40.540 1.00 0.00 C ATOM 225 C SER A 15 -6.405 7.384 -40.859 1.00 0.00 C ATOM 226 O SER A 15 -7.371 8.030 -40.482 1.00 0.00 O ATOM 227 CB SER A 15 -7.522 5.103 -40.985 1.00 0.00 C ATOM 228 OG SER A 15 -7.366 3.750 -40.582 1.00 0.00 O ATOM 0 H SER A 15 -6.993 6.044 -38.604 1.00 0.00 H new ATOM 0 HA SER A 15 -5.426 5.520 -41.078 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.424 5.527 -40.544 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.637 5.164 -42.067 1.00 0.00 H new ATOM 0 HG SER A 15 -6.648 3.334 -41.103 1.00 0.00 H new ATOM 234 N PHE A 16 -5.381 7.926 -41.487 1.00 0.00 N ATOM 235 CA PHE A 16 -5.310 9.347 -41.804 1.00 0.00 C ATOM 236 C PHE A 16 -5.793 9.672 -43.198 1.00 0.00 C ATOM 237 O PHE A 16 -5.495 8.966 -44.165 1.00 0.00 O ATOM 238 CB PHE A 16 -3.893 9.898 -41.631 1.00 0.00 C ATOM 239 CG PHE A 16 -3.491 10.130 -40.213 1.00 0.00 C ATOM 240 CD1 PHE A 16 -2.924 9.128 -39.455 1.00 0.00 C ATOM 241 CD2 PHE A 16 -3.680 11.371 -39.639 1.00 0.00 C ATOM 242 CE1 PHE A 16 -2.553 9.365 -38.152 1.00 0.00 C ATOM 243 CE2 PHE A 16 -3.313 11.608 -38.340 1.00 0.00 C ATOM 244 CZ PHE A 16 -2.751 10.605 -37.593 1.00 0.00 C ATOM 0 H PHE A 16 -4.567 7.394 -41.796 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.981 9.828 -41.092 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -3.188 9.203 -42.087 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -3.812 10.838 -42.177 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.770 8.150 -39.887 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.123 12.166 -40.221 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.105 8.575 -37.567 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.466 12.584 -37.905 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.465 10.789 -36.568 1.00 0.00 H new ATOM 254 N ASP A 17 -6.515 10.751 -43.282 1.00 0.00 N ATOM 255 CA ASP A 17 -7.023 11.279 -44.526 1.00 0.00 C ATOM 256 C ASP A 17 -6.613 12.674 -44.654 1.00 0.00 C ATOM 257 O ASP A 17 -6.721 13.447 -43.687 1.00 0.00 O ATOM 258 CB ASP A 17 -8.509 11.235 -44.567 1.00 0.00 C ATOM 259 CG ASP A 17 -9.094 11.809 -45.843 1.00 0.00 C ATOM 260 OD1 ASP A 17 -9.061 11.119 -46.894 1.00 0.00 O ATOM 261 OD2 ASP A 17 -9.622 12.933 -45.817 1.00 0.00 O ATOM 0 H ASP A 17 -6.777 11.307 -42.468 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.625 10.670 -45.337 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.838 10.201 -44.458 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.905 11.787 -43.714 1.00 0.00 H new ATOM 266 N TYR A 18 -6.152 12.996 -45.815 1.00 0.00 N ATOM 267 CA TYR A 18 -5.661 14.301 -46.125 1.00 0.00 C ATOM 268 C TYR A 18 -5.306 14.352 -47.608 1.00 0.00 C ATOM 269 O TYR A 18 -4.921 13.324 -48.187 1.00 0.00 O ATOM 270 CB TYR A 18 -4.435 14.603 -45.236 1.00 0.00 C ATOM 271 CG TYR A 18 -3.221 13.701 -45.470 1.00 0.00 C ATOM 272 CD1 TYR A 18 -3.081 12.512 -44.767 1.00 0.00 C ATOM 273 CD2 TYR A 18 -2.235 14.032 -46.400 1.00 0.00 C ATOM 274 CE1 TYR A 18 -2.005 11.680 -44.976 1.00 0.00 C ATOM 275 CE2 TYR A 18 -1.159 13.197 -46.622 1.00 0.00 C ATOM 276 CZ TYR A 18 -1.049 12.022 -45.906 1.00 0.00 C ATOM 277 OH TYR A 18 0.013 11.180 -46.134 1.00 0.00 O ATOM 0 H TYR A 18 -6.104 12.343 -46.597 1.00 0.00 H new ATOM 0 HA TYR A 18 -6.418 15.060 -45.926 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.135 15.638 -45.399 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.734 14.518 -44.191 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.832 12.235 -44.042 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -2.315 14.955 -46.954 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.911 10.763 -44.413 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.408 13.461 -47.351 1.00 0.00 H new ATOM 0 HH TYR A 18 0.684 11.301 -45.430 1.00 0.00 H new ATOM 287 N PRO A 19 -5.480 15.500 -48.260 1.00 0.00 N ATOM 288 CA PRO A 19 -5.104 15.654 -49.656 1.00 0.00 C ATOM 289 C PRO A 19 -3.583 15.700 -49.825 1.00 0.00 C ATOM 290 O PRO A 19 -2.846 16.086 -48.895 1.00 0.00 O ATOM 291 CB PRO A 19 -5.732 16.987 -50.069 1.00 0.00 C ATOM 292 CG PRO A 19 -5.943 17.739 -48.803 1.00 0.00 C ATOM 293 CD PRO A 19 -6.090 16.722 -47.703 1.00 0.00 C ATOM 0 HA PRO A 19 -5.445 14.818 -50.266 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.077 17.536 -50.746 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.674 16.830 -50.594 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.101 18.402 -48.604 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -6.833 18.365 -48.870 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -5.582 17.042 -46.793 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.137 16.563 -47.444 1.00 0.00 H new ATOM 301 N SER A 20 -3.121 15.376 -51.018 1.00 0.00 N ATOM 302 CA SER A 20 -1.696 15.297 -51.328 1.00 0.00 C ATOM 303 C SER A 20 -1.011 16.677 -51.296 1.00 0.00 C ATOM 304 O SER A 20 0.208 16.791 -51.393 1.00 0.00 O ATOM 305 CB SER A 20 -1.519 14.620 -52.676 1.00 0.00 C ATOM 306 OG SER A 20 -2.170 13.354 -52.666 1.00 0.00 O ATOM 0 H SER A 20 -3.725 15.157 -51.810 1.00 0.00 H new ATOM 0 HA SER A 20 -1.207 14.703 -50.556 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.933 15.247 -53.466 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.459 14.493 -52.893 1.00 0.00 H new ATOM 0 HG SER A 20 -2.056 12.920 -53.537 1.00 0.00 H new ATOM 312 N SER A 21 -1.808 17.714 -51.144 1.00 0.00 N ATOM 313 CA SER A 21 -1.328 19.057 -51.000 1.00 0.00 C ATOM 314 C SER A 21 -0.483 19.175 -49.722 1.00 0.00 C ATOM 315 O SER A 21 0.498 19.920 -49.667 1.00 0.00 O ATOM 316 CB SER A 21 -2.535 19.964 -50.887 1.00 0.00 C ATOM 317 OG SER A 21 -3.504 19.594 -51.849 1.00 0.00 O ATOM 0 H SER A 21 -2.825 17.637 -51.118 1.00 0.00 H new ATOM 0 HA SER A 21 -0.711 19.334 -51.855 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.959 19.897 -49.885 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.237 21.002 -51.038 1.00 0.00 H new ATOM 0 HG SER A 21 -4.284 20.182 -51.771 1.00 0.00 H new ATOM 323 N TYR A 22 -0.823 18.381 -48.718 1.00 0.00 N ATOM 324 CA TYR A 22 -0.167 18.490 -47.431 1.00 0.00 C ATOM 325 C TYR A 22 0.760 17.334 -47.158 1.00 0.00 C ATOM 326 O TYR A 22 1.143 17.128 -46.015 1.00 0.00 O ATOM 327 CB TYR A 22 -1.184 18.582 -46.305 1.00 0.00 C ATOM 328 CG TYR A 22 -2.164 19.712 -46.415 1.00 0.00 C ATOM 329 CD1 TYR A 22 -1.812 21.005 -46.075 1.00 0.00 C ATOM 330 CD2 TYR A 22 -3.442 19.478 -46.864 1.00 0.00 C ATOM 331 CE1 TYR A 22 -2.715 22.038 -46.188 1.00 0.00 C ATOM 332 CE2 TYR A 22 -4.357 20.498 -46.977 1.00 0.00 C ATOM 333 CZ TYR A 22 -3.987 21.778 -46.640 1.00 0.00 C ATOM 334 OH TYR A 22 -4.884 22.804 -46.774 1.00 0.00 O ATOM 0 H TYR A 22 -1.544 17.661 -48.772 1.00 0.00 H new ATOM 0 HA TYR A 22 0.425 19.404 -47.470 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.739 17.645 -46.262 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.648 18.679 -45.361 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.814 21.208 -45.715 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.733 18.473 -47.133 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.426 23.045 -45.924 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.358 20.295 -47.328 1.00 0.00 H new ATOM 0 HH TYR A 22 -5.736 22.452 -47.105 1.00 0.00 H new ATOM 344 N SER A 23 1.164 16.623 -48.183 1.00 0.00 N ATOM 345 CA SER A 23 2.063 15.496 -48.009 1.00 0.00 C ATOM 346 C SER A 23 3.381 15.943 -47.368 1.00 0.00 C ATOM 347 O SER A 23 3.811 15.364 -46.389 1.00 0.00 O ATOM 348 CB SER A 23 2.297 14.812 -49.346 1.00 0.00 C ATOM 349 OG SER A 23 1.067 14.361 -49.895 1.00 0.00 O ATOM 0 H SER A 23 0.887 16.801 -49.149 1.00 0.00 H new ATOM 0 HA SER A 23 1.603 14.776 -47.332 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.778 15.505 -50.036 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.975 13.969 -49.216 1.00 0.00 H new ATOM 0 HG SER A 23 1.234 13.924 -50.756 1.00 0.00 H new ATOM 355 N SER A 24 3.936 17.047 -47.849 1.00 0.00 N ATOM 356 CA SER A 24 5.201 17.563 -47.337 1.00 0.00 C ATOM 357 C SER A 24 5.070 18.092 -45.898 1.00 0.00 C ATOM 358 O SER A 24 6.035 18.134 -45.135 1.00 0.00 O ATOM 359 CB SER A 24 5.711 18.638 -48.280 1.00 0.00 C ATOM 360 OG SER A 24 4.664 19.546 -48.621 1.00 0.00 O ATOM 0 H SER A 24 3.528 17.607 -48.598 1.00 0.00 H new ATOM 0 HA SER A 24 5.922 16.746 -47.294 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.532 19.181 -47.811 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.109 18.177 -49.184 1.00 0.00 H new ATOM 0 HG SER A 24 5.011 20.233 -49.228 1.00 0.00 H new ATOM 366 N VAL A 25 3.860 18.422 -45.535 1.00 0.00 N ATOM 367 CA VAL A 25 3.540 18.965 -44.229 1.00 0.00 C ATOM 368 C VAL A 25 3.343 17.840 -43.241 1.00 0.00 C ATOM 369 O VAL A 25 3.775 17.897 -42.083 1.00 0.00 O ATOM 370 CB VAL A 25 2.234 19.800 -44.304 1.00 0.00 C ATOM 371 CG1 VAL A 25 1.709 20.137 -42.923 1.00 0.00 C ATOM 372 CG2 VAL A 25 2.452 21.060 -45.116 1.00 0.00 C ATOM 0 H VAL A 25 3.049 18.322 -46.145 1.00 0.00 H new ATOM 0 HA VAL A 25 4.363 19.602 -43.906 1.00 0.00 H new ATOM 0 HB VAL A 25 1.480 19.191 -44.804 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.794 20.722 -43.014 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.498 19.216 -42.379 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.457 20.716 -42.381 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.525 21.632 -45.157 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.230 21.664 -44.649 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.758 20.793 -46.127 1.00 0.00 H new ATOM 382 N PHE A 26 2.747 16.804 -43.722 1.00 0.00 N ATOM 383 CA PHE A 26 2.363 15.700 -42.927 1.00 0.00 C ATOM 384 C PHE A 26 3.561 14.876 -42.496 1.00 0.00 C ATOM 385 O PHE A 26 3.501 14.156 -41.497 1.00 0.00 O ATOM 386 CB PHE A 26 1.339 14.882 -43.694 1.00 0.00 C ATOM 387 CG PHE A 26 1.292 13.451 -43.293 1.00 0.00 C ATOM 388 CD1 PHE A 26 0.577 13.055 -42.183 1.00 0.00 C ATOM 389 CD2 PHE A 26 2.012 12.505 -44.007 1.00 0.00 C ATOM 390 CE1 PHE A 26 0.579 11.738 -41.796 1.00 0.00 C ATOM 391 CE2 PHE A 26 2.012 11.191 -43.627 1.00 0.00 C ATOM 392 CZ PHE A 26 1.300 10.805 -42.521 1.00 0.00 C ATOM 0 H PHE A 26 2.509 16.703 -44.709 1.00 0.00 H new ATOM 0 HA PHE A 26 1.906 16.055 -42.003 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.353 15.323 -43.549 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.562 14.944 -44.759 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.014 13.782 -41.617 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.580 12.810 -44.874 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.018 11.430 -40.926 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.570 10.462 -44.195 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.302 9.769 -42.214 1.00 0.00 H new ATOM 402 N LEU A 27 4.660 15.016 -43.208 1.00 0.00 N ATOM 403 CA LEU A 27 5.877 14.271 -42.893 1.00 0.00 C ATOM 404 C LEU A 27 6.326 14.592 -41.468 1.00 0.00 C ATOM 405 O LEU A 27 6.919 13.760 -40.780 1.00 0.00 O ATOM 406 CB LEU A 27 6.999 14.608 -43.876 1.00 0.00 C ATOM 407 CG LEU A 27 6.646 14.551 -45.365 1.00 0.00 C ATOM 408 CD1 LEU A 27 7.869 14.782 -46.227 1.00 0.00 C ATOM 409 CD2 LEU A 27 5.933 13.252 -45.733 1.00 0.00 C ATOM 0 H LEU A 27 4.743 15.638 -44.012 1.00 0.00 H new ATOM 0 HA LEU A 27 5.657 13.207 -42.977 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.360 15.611 -43.650 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.827 13.923 -43.696 1.00 0.00 H new ATOM 0 HG LEU A 27 5.945 15.362 -45.564 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.587 14.736 -47.279 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.289 15.763 -46.007 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.613 14.013 -46.017 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.701 13.253 -46.798 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.579 12.405 -45.503 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.009 13.169 -45.161 1.00 0.00 H new ATOM 421 N ARG A 28 5.950 15.773 -41.008 1.00 0.00 N ATOM 422 CA ARG A 28 6.286 16.213 -39.670 1.00 0.00 C ATOM 423 C ARG A 28 5.468 15.398 -38.690 1.00 0.00 C ATOM 424 O ARG A 28 5.999 14.756 -37.803 1.00 0.00 O ATOM 425 CB ARG A 28 5.974 17.704 -39.481 1.00 0.00 C ATOM 426 CG ARG A 28 6.476 18.602 -40.600 1.00 0.00 C ATOM 427 CD ARG A 28 7.957 18.430 -40.872 1.00 0.00 C ATOM 428 NE ARG A 28 8.807 18.804 -39.729 1.00 0.00 N ATOM 429 CZ ARG A 28 10.056 19.301 -39.833 1.00 0.00 C ATOM 430 NH1 ARG A 28 10.569 19.584 -41.037 1.00 0.00 N ATOM 431 NH2 ARG A 28 10.775 19.530 -38.735 1.00 0.00 N ATOM 0 H ARG A 28 5.408 16.447 -41.548 1.00 0.00 H new ATOM 0 HA ARG A 28 7.354 16.071 -39.502 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.895 17.827 -39.390 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.413 18.037 -38.541 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.917 18.387 -41.511 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.277 19.642 -40.342 1.00 0.00 H new ATOM 0 HD2 ARG A 28 8.152 17.391 -41.136 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.234 19.036 -41.735 1.00 0.00 H new ATOM 0 HE ARG A 28 8.424 18.678 -38.792 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.015 19.424 -41.878 1.00 0.00 H new ATOM 0 HH12 ARG A 28 11.514 19.960 -41.113 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.381 19.329 -37.816 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.720 19.906 -38.813 1.00 0.00 H new ATOM 445 N LEU A 29 4.169 15.354 -38.949 1.00 0.00 N ATOM 446 CA LEU A 29 3.198 14.648 -38.122 1.00 0.00 C ATOM 447 C LEU A 29 3.529 13.158 -38.109 1.00 0.00 C ATOM 448 O LEU A 29 3.363 12.484 -37.096 1.00 0.00 O ATOM 449 CB LEU A 29 1.779 14.902 -38.707 1.00 0.00 C ATOM 450 CG LEU A 29 0.516 14.534 -37.865 1.00 0.00 C ATOM 451 CD1 LEU A 29 0.231 13.053 -37.873 1.00 0.00 C ATOM 452 CD2 LEU A 29 0.645 15.030 -36.433 1.00 0.00 C ATOM 0 H LEU A 29 3.751 15.817 -39.756 1.00 0.00 H new ATOM 0 HA LEU A 29 3.230 15.009 -37.094 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.712 15.963 -38.948 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.713 14.356 -39.648 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.327 15.037 -38.340 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.656 12.850 -37.273 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.061 12.721 -38.897 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.082 12.516 -37.454 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.249 14.759 -35.872 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.518 14.573 -35.967 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.759 16.114 -36.432 1.00 0.00 H new ATOM 464 N ARG A 30 4.051 12.661 -39.222 1.00 0.00 N ATOM 465 CA ARG A 30 4.371 11.257 -39.318 1.00 0.00 C ATOM 466 C ARG A 30 5.605 10.952 -38.487 1.00 0.00 C ATOM 467 O ARG A 30 5.705 9.905 -37.870 1.00 0.00 O ATOM 468 CB ARG A 30 4.505 10.798 -40.777 1.00 0.00 C ATOM 469 CG ARG A 30 5.905 10.748 -41.346 1.00 0.00 C ATOM 470 CD ARG A 30 5.885 10.392 -42.820 1.00 0.00 C ATOM 471 NE ARG A 30 5.133 9.152 -43.120 1.00 0.00 N ATOM 472 CZ ARG A 30 5.584 8.151 -43.903 1.00 0.00 C ATOM 473 NH1 ARG A 30 6.866 8.099 -44.260 1.00 0.00 N ATOM 474 NH2 ARG A 30 4.749 7.182 -44.303 1.00 0.00 N ATOM 0 H ARG A 30 4.257 13.207 -40.058 1.00 0.00 H new ATOM 0 HA ARG A 30 3.543 10.679 -38.907 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.067 9.804 -40.863 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.908 11.464 -41.400 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.391 11.714 -41.209 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.497 10.013 -40.800 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.445 11.218 -43.379 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.910 10.279 -43.172 1.00 0.00 H new ATOM 0 HE ARG A 30 4.207 9.048 -42.704 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.514 8.819 -43.941 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.200 7.339 -44.852 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.771 7.201 -44.015 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.092 6.426 -44.895 1.00 0.00 H new ATOM 488 N SER A 31 6.503 11.908 -38.423 1.00 0.00 N ATOM 489 CA SER A 31 7.686 11.778 -37.603 1.00 0.00 C ATOM 490 C SER A 31 7.285 11.806 -36.123 1.00 0.00 C ATOM 491 O SER A 31 7.875 11.110 -35.287 1.00 0.00 O ATOM 492 CB SER A 31 8.696 12.877 -37.939 1.00 0.00 C ATOM 493 OG SER A 31 9.041 12.839 -39.331 1.00 0.00 O ATOM 0 H SER A 31 6.436 12.789 -38.932 1.00 0.00 H new ATOM 0 HA SER A 31 8.171 10.824 -37.809 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.277 13.852 -37.689 1.00 0.00 H new ATOM 0 HB3 SER A 31 9.593 12.751 -37.333 1.00 0.00 H new ATOM 0 HG SER A 31 8.286 13.166 -39.864 1.00 0.00 H new ATOM 499 N LEU A 32 6.223 12.554 -35.828 1.00 0.00 N ATOM 500 CA LEU A 32 5.679 12.637 -34.473 1.00 0.00 C ATOM 501 C LEU A 32 5.112 11.301 -34.040 1.00 0.00 C ATOM 502 O LEU A 32 5.209 10.925 -32.878 1.00 0.00 O ATOM 503 CB LEU A 32 4.596 13.724 -34.359 1.00 0.00 C ATOM 504 CG LEU A 32 5.039 15.148 -33.955 1.00 0.00 C ATOM 505 CD1 LEU A 32 5.589 15.154 -32.542 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.069 15.717 -34.909 1.00 0.00 C ATOM 0 H LEU A 32 5.719 13.115 -36.515 1.00 0.00 H new ATOM 0 HA LEU A 32 6.503 12.908 -33.812 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.089 13.792 -35.321 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.857 13.385 -33.632 1.00 0.00 H new ATOM 0 HG LEU A 32 4.154 15.783 -34.003 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.896 16.165 -32.275 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.818 14.814 -31.850 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.449 14.487 -32.483 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.350 16.719 -34.585 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.951 15.077 -34.916 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.648 15.765 -35.913 1.00 0.00 H new ATOM 518 N MET A 33 4.525 10.587 -34.984 1.00 0.00 N ATOM 519 CA MET A 33 3.957 9.271 -34.744 1.00 0.00 C ATOM 520 C MET A 33 4.987 8.323 -34.169 1.00 0.00 C ATOM 521 O MET A 33 4.755 7.694 -33.147 1.00 0.00 O ATOM 522 CB MET A 33 3.463 8.665 -36.040 1.00 0.00 C ATOM 523 CG MET A 33 2.452 9.475 -36.766 1.00 0.00 C ATOM 524 SD MET A 33 1.973 8.672 -38.292 1.00 0.00 S ATOM 525 CE MET A 33 0.809 9.843 -38.926 1.00 0.00 C ATOM 0 H MET A 33 4.428 10.907 -35.948 1.00 0.00 H new ATOM 0 HA MET A 33 3.137 9.404 -34.038 1.00 0.00 H new ATOM 0 HB2 MET A 33 4.318 8.504 -36.697 1.00 0.00 H new ATOM 0 HB3 MET A 33 3.036 7.685 -35.826 1.00 0.00 H new ATOM 0 HG2 MET A 33 1.575 9.621 -36.135 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.858 10.464 -36.981 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.178 9.361 -39.673 1.00 0.00 H new ATOM 0 HE2 MET A 33 0.187 10.215 -38.112 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.343 10.675 -39.385 1.00 0.00 H new ATOM 535 N TYR A 34 6.128 8.253 -34.821 1.00 0.00 N ATOM 536 CA TYR A 34 7.180 7.316 -34.442 1.00 0.00 C ATOM 537 C TYR A 34 7.987 7.852 -33.265 1.00 0.00 C ATOM 538 O TYR A 34 8.787 7.134 -32.648 1.00 0.00 O ATOM 539 CB TYR A 34 8.063 7.040 -35.642 1.00 0.00 C ATOM 540 CG TYR A 34 7.263 6.641 -36.879 1.00 0.00 C ATOM 541 CD1 TYR A 34 6.383 5.555 -36.856 1.00 0.00 C ATOM 542 CD2 TYR A 34 7.370 7.367 -38.053 1.00 0.00 C ATOM 543 CE1 TYR A 34 5.636 5.223 -37.969 1.00 0.00 C ATOM 544 CE2 TYR A 34 6.630 7.033 -39.172 1.00 0.00 C ATOM 545 CZ TYR A 34 5.764 5.964 -39.123 1.00 0.00 C ATOM 546 OH TYR A 34 5.005 5.641 -40.233 1.00 0.00 O ATOM 0 H TYR A 34 6.358 8.837 -35.625 1.00 0.00 H new ATOM 0 HA TYR A 34 6.728 6.378 -34.119 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.653 7.929 -35.866 1.00 0.00 H new ATOM 0 HB3 TYR A 34 8.766 6.244 -35.396 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.286 4.967 -35.955 1.00 0.00 H new ATOM 0 HD2 TYR A 34 8.044 8.210 -38.095 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.954 4.386 -37.935 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.731 7.608 -40.081 1.00 0.00 H new ATOM 0 HH TYR A 34 4.054 5.750 -40.022 1.00 0.00 H new ATOM 556 N ASP A 35 7.802 9.133 -32.997 1.00 0.00 N ATOM 557 CA ASP A 35 8.335 9.782 -31.791 1.00 0.00 C ATOM 558 C ASP A 35 7.502 9.317 -30.603 1.00 0.00 C ATOM 559 O ASP A 35 7.974 9.211 -29.461 1.00 0.00 O ATOM 560 CB ASP A 35 8.258 11.309 -31.933 1.00 0.00 C ATOM 561 CG ASP A 35 8.702 12.058 -30.697 1.00 0.00 C ATOM 562 OD1 ASP A 35 9.915 12.126 -30.435 1.00 0.00 O ATOM 563 OD2 ASP A 35 7.846 12.610 -29.975 1.00 0.00 O ATOM 0 H ASP A 35 7.278 9.762 -33.605 1.00 0.00 H new ATOM 0 HA ASP A 35 9.381 9.512 -31.646 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.876 11.618 -32.776 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.232 11.592 -32.169 1.00 0.00 H new ATOM 568 N MET A 36 6.256 9.025 -30.902 1.00 0.00 N ATOM 569 CA MET A 36 5.319 8.462 -29.971 1.00 0.00 C ATOM 570 C MET A 36 5.326 6.933 -30.115 1.00 0.00 C ATOM 571 O MET A 36 6.347 6.350 -30.463 1.00 0.00 O ATOM 572 CB MET A 36 3.915 9.061 -30.200 1.00 0.00 C ATOM 573 CG MET A 36 3.800 10.519 -29.774 1.00 0.00 C ATOM 574 SD MET A 36 2.159 11.237 -30.073 1.00 0.00 S ATOM 575 CE MET A 36 2.161 11.384 -31.859 1.00 0.00 C ATOM 0 H MET A 36 5.860 9.180 -31.829 1.00 0.00 H new ATOM 0 HA MET A 36 5.609 8.709 -28.950 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.661 8.978 -31.257 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.183 8.471 -29.649 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.034 10.598 -28.712 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.547 11.105 -30.309 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.214 11.811 -32.190 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.980 12.032 -32.170 1.00 0.00 H new ATOM 0 HE3 MET A 36 2.290 10.398 -32.305 1.00 0.00 H new ATOM 585 N ASN A 37 4.218 6.295 -29.849 1.00 0.00 N ATOM 586 CA ASN A 37 4.163 4.828 -29.840 1.00 0.00 C ATOM 587 C ASN A 37 3.666 4.212 -31.126 1.00 0.00 C ATOM 588 O ASN A 37 3.486 2.993 -31.194 1.00 0.00 O ATOM 589 CB ASN A 37 3.354 4.312 -28.667 1.00 0.00 C ATOM 590 CG ASN A 37 4.192 4.122 -27.435 1.00 0.00 C ATOM 591 OD1 ASN A 37 4.724 3.043 -27.204 1.00 0.00 O ATOM 592 ND2 ASN A 37 4.335 5.148 -26.643 1.00 0.00 N ATOM 0 H ASN A 37 3.332 6.753 -29.634 1.00 0.00 H new ATOM 0 HA ASN A 37 5.201 4.513 -29.735 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.547 5.011 -28.450 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.890 3.364 -28.938 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.904 5.067 -25.801 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.878 6.032 -26.866 1.00 0.00 H new ATOM 599 N PHE A 38 3.368 5.035 -32.105 1.00 0.00 N ATOM 600 CA PHE A 38 2.888 4.544 -33.391 1.00 0.00 C ATOM 601 C PHE A 38 3.967 3.756 -34.147 1.00 0.00 C ATOM 602 O PHE A 38 5.168 3.976 -33.965 1.00 0.00 O ATOM 603 CB PHE A 38 2.408 5.680 -34.270 1.00 0.00 C ATOM 604 CG PHE A 38 1.284 6.450 -33.683 1.00 0.00 C ATOM 605 CD1 PHE A 38 1.537 7.523 -32.853 1.00 0.00 C ATOM 606 CD2 PHE A 38 -0.025 6.100 -33.948 1.00 0.00 C ATOM 607 CE1 PHE A 38 0.518 8.232 -32.293 1.00 0.00 C ATOM 608 CE2 PHE A 38 -1.055 6.811 -33.382 1.00 0.00 C ATOM 609 CZ PHE A 38 -0.773 7.881 -32.554 1.00 0.00 C ATOM 0 H PHE A 38 3.447 6.050 -32.042 1.00 0.00 H new ATOM 0 HA PHE A 38 2.056 3.876 -33.169 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.241 6.357 -34.462 1.00 0.00 H new ATOM 0 HB3 PHE A 38 2.097 5.276 -35.234 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.559 7.805 -32.644 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.239 5.267 -34.601 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.732 9.069 -31.645 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.080 6.535 -33.583 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.581 8.443 -32.110 1.00 0.00 H new ATOM 619 N SER A 39 3.528 2.862 -34.992 1.00 0.00 N ATOM 620 CA SER A 39 4.401 2.035 -35.774 1.00 0.00 C ATOM 621 C SER A 39 3.909 1.926 -37.222 1.00 0.00 C ATOM 622 O SER A 39 2.738 2.236 -37.529 1.00 0.00 O ATOM 623 CB SER A 39 4.468 0.654 -35.154 1.00 0.00 C ATOM 624 OG SER A 39 4.925 0.719 -33.808 1.00 0.00 O ATOM 0 H SER A 39 2.537 2.687 -35.157 1.00 0.00 H new ATOM 0 HA SER A 39 5.392 2.489 -35.785 1.00 0.00 H new ATOM 0 HB2 SER A 39 3.482 0.190 -35.185 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.136 0.022 -35.738 1.00 0.00 H new ATOM 0 HG SER A 39 4.958 -0.184 -33.430 1.00 0.00 H new ATOM 630 N SER A 40 4.798 1.491 -38.089 1.00 0.00 N ATOM 631 CA SER A 40 4.529 1.317 -39.494 1.00 0.00 C ATOM 632 C SER A 40 4.108 -0.120 -39.793 1.00 0.00 C ATOM 633 O SER A 40 3.553 -0.412 -40.868 1.00 0.00 O ATOM 634 CB SER A 40 5.805 1.593 -40.242 1.00 0.00 C ATOM 635 OG SER A 40 6.414 2.789 -39.791 1.00 0.00 O ATOM 0 H SER A 40 5.752 1.243 -37.826 1.00 0.00 H new ATOM 0 HA SER A 40 3.726 1.991 -39.792 1.00 0.00 H new ATOM 0 HB2 SER A 40 6.494 0.759 -40.111 1.00 0.00 H new ATOM 0 HB3 SER A 40 5.595 1.668 -41.309 1.00 0.00 H new ATOM 0 HG SER A 40 5.750 3.338 -39.324 1.00 0.00 H new ATOM 641 N ILE A 41 4.410 -0.997 -38.868 1.00 0.00 N ATOM 642 CA ILE A 41 4.148 -2.416 -38.961 1.00 0.00 C ATOM 643 C ILE A 41 3.409 -2.881 -37.701 1.00 0.00 C ATOM 644 O ILE A 41 3.589 -2.305 -36.621 1.00 0.00 O ATOM 645 CB ILE A 41 5.507 -3.252 -39.123 1.00 0.00 C ATOM 646 CG1 ILE A 41 6.062 -3.274 -40.558 1.00 0.00 C ATOM 647 CG2 ILE A 41 5.418 -4.665 -38.591 1.00 0.00 C ATOM 648 CD1 ILE A 41 6.597 -1.972 -41.063 1.00 0.00 C ATOM 0 H ILE A 41 4.864 -0.733 -37.993 1.00 0.00 H new ATOM 0 HA ILE A 41 3.534 -2.592 -39.844 1.00 0.00 H new ATOM 0 HB ILE A 41 6.213 -2.699 -38.502 1.00 0.00 H new ATOM 0 HG12 ILE A 41 6.857 -4.018 -40.610 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.270 -3.606 -41.230 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.374 -5.169 -38.735 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.178 -4.639 -37.528 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.638 -5.207 -39.126 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.962 -2.099 -42.082 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.804 -1.224 -41.053 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.415 -1.642 -40.423 1.00 0.00 H new ATOM 660 N VAL A 42 2.569 -3.882 -37.854 1.00 0.00 N ATOM 661 CA VAL A 42 1.895 -4.525 -36.743 1.00 0.00 C ATOM 662 C VAL A 42 1.596 -5.975 -37.148 1.00 0.00 C ATOM 663 O VAL A 42 1.366 -6.259 -38.334 1.00 0.00 O ATOM 664 CB VAL A 42 0.586 -3.773 -36.322 1.00 0.00 C ATOM 665 CG1 VAL A 42 -0.452 -3.831 -37.408 1.00 0.00 C ATOM 666 CG2 VAL A 42 0.018 -4.313 -35.011 1.00 0.00 C ATOM 0 H VAL A 42 2.331 -4.278 -38.763 1.00 0.00 H new ATOM 0 HA VAL A 42 2.544 -4.500 -35.868 1.00 0.00 H new ATOM 0 HB VAL A 42 0.858 -2.729 -36.163 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.347 -3.300 -37.084 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.060 -3.364 -38.311 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.702 -4.871 -37.617 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.889 -3.765 -34.754 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.217 -5.371 -35.125 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.754 -4.188 -34.217 1.00 0.00 H new ATOM 676 N ALA A 43 1.695 -6.883 -36.212 1.00 0.00 N ATOM 677 CA ALA A 43 1.411 -8.279 -36.466 1.00 0.00 C ATOM 678 C ALA A 43 -0.086 -8.517 -36.657 1.00 0.00 C ATOM 679 O ALA A 43 -0.910 -8.023 -35.882 1.00 0.00 O ATOM 680 CB ALA A 43 1.948 -9.149 -35.342 1.00 0.00 C ATOM 0 H ALA A 43 1.974 -6.680 -35.252 1.00 0.00 H new ATOM 0 HA ALA A 43 1.915 -8.556 -37.392 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.724 -10.195 -35.553 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.027 -9.018 -35.264 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.479 -8.860 -34.402 1.00 0.00 H new ATOM 686 N ASP A 44 -0.410 -9.262 -37.703 1.00 0.00 N ATOM 687 CA ASP A 44 -1.787 -9.644 -38.050 1.00 0.00 C ATOM 688 C ASP A 44 -2.195 -10.826 -37.155 1.00 0.00 C ATOM 689 O ASP A 44 -1.455 -11.204 -36.231 1.00 0.00 O ATOM 690 CB ASP A 44 -1.797 -10.115 -39.521 1.00 0.00 C ATOM 691 CG ASP A 44 -3.155 -10.095 -40.216 1.00 0.00 C ATOM 692 OD1 ASP A 44 -4.181 -10.142 -39.541 1.00 0.00 O ATOM 693 OD2 ASP A 44 -3.173 -10.086 -41.451 1.00 0.00 O ATOM 0 H ASP A 44 0.285 -9.630 -38.353 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.471 -8.807 -37.912 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.110 -9.487 -40.088 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.405 -11.131 -39.560 1.00 0.00 H new ATOM 698 N GLU A 45 -3.309 -11.446 -37.467 1.00 0.00 N ATOM 699 CA GLU A 45 -3.817 -12.604 -36.728 1.00 0.00 C ATOM 700 C GLU A 45 -2.867 -13.775 -36.909 1.00 0.00 C ATOM 701 O GLU A 45 -2.678 -14.598 -36.017 1.00 0.00 O ATOM 702 CB GLU A 45 -5.219 -13.011 -37.221 1.00 0.00 C ATOM 703 CG GLU A 45 -5.258 -13.497 -38.667 1.00 0.00 C ATOM 704 CD GLU A 45 -6.629 -13.918 -39.106 1.00 0.00 C ATOM 705 OE1 GLU A 45 -7.435 -13.067 -39.505 1.00 0.00 O ATOM 706 OE2 GLU A 45 -6.929 -15.114 -39.061 1.00 0.00 O ATOM 0 H GLU A 45 -3.903 -11.166 -38.248 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.887 -12.331 -35.675 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.604 -13.799 -36.574 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.890 -12.158 -37.118 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.901 -12.702 -39.322 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.572 -14.336 -38.781 1.00 0.00 H new ATOM 713 N TYR A 46 -2.230 -13.798 -38.067 1.00 0.00 N ATOM 714 CA TYR A 46 -1.328 -14.855 -38.431 1.00 0.00 C ATOM 715 C TYR A 46 0.011 -14.649 -37.737 1.00 0.00 C ATOM 716 O TYR A 46 0.846 -15.548 -37.674 1.00 0.00 O ATOM 717 CB TYR A 46 -1.109 -14.877 -39.947 1.00 0.00 C ATOM 718 CG TYR A 46 -2.373 -14.921 -40.774 1.00 0.00 C ATOM 719 CD1 TYR A 46 -3.124 -16.085 -40.883 1.00 0.00 C ATOM 720 CD2 TYR A 46 -2.816 -13.788 -41.446 1.00 0.00 C ATOM 721 CE1 TYR A 46 -4.280 -16.117 -41.642 1.00 0.00 C ATOM 722 CE2 TYR A 46 -3.965 -13.812 -42.203 1.00 0.00 C ATOM 723 CZ TYR A 46 -4.693 -14.979 -42.300 1.00 0.00 C ATOM 724 OH TYR A 46 -5.842 -15.004 -43.055 1.00 0.00 O ATOM 0 H TYR A 46 -2.331 -13.075 -38.779 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.765 -15.804 -38.121 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.538 -13.992 -40.229 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -0.498 -15.744 -40.198 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.801 -16.977 -40.368 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.248 -12.872 -41.373 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -4.855 -17.028 -41.718 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.295 -12.922 -42.718 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.992 -14.120 -43.451 1.00 0.00 H new ATOM 734 N GLY A 47 0.201 -13.457 -37.205 1.00 0.00 N ATOM 735 CA GLY A 47 1.450 -13.109 -36.579 1.00 0.00 C ATOM 736 C GLY A 47 2.429 -12.547 -37.571 1.00 0.00 C ATOM 737 O GLY A 47 3.622 -12.448 -37.291 1.00 0.00 O ATOM 0 H GLY A 47 -0.499 -12.715 -37.197 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.271 -12.379 -35.790 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.878 -13.992 -36.105 1.00 0.00 H new ATOM 741 N ILE A 48 1.920 -12.171 -38.725 1.00 0.00 N ATOM 742 CA ILE A 48 2.728 -11.625 -39.778 1.00 0.00 C ATOM 743 C ILE A 48 2.782 -10.123 -39.633 1.00 0.00 C ATOM 744 O ILE A 48 1.742 -9.482 -39.464 1.00 0.00 O ATOM 745 CB ILE A 48 2.226 -12.063 -41.215 1.00 0.00 C ATOM 746 CG1 ILE A 48 2.812 -13.432 -41.611 1.00 0.00 C ATOM 747 CG2 ILE A 48 2.545 -11.029 -42.289 1.00 0.00 C ATOM 748 CD1 ILE A 48 2.415 -14.574 -40.716 1.00 0.00 C ATOM 0 H ILE A 48 0.928 -12.239 -38.953 1.00 0.00 H new ATOM 0 HA ILE A 48 3.736 -12.028 -39.685 1.00 0.00 H new ATOM 0 HB ILE A 48 1.141 -12.142 -41.150 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.501 -13.663 -42.630 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.899 -13.357 -41.619 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.179 -11.381 -43.253 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.061 -10.084 -42.040 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.624 -10.881 -42.343 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.876 -15.494 -41.075 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.751 -14.373 -39.699 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.331 -14.684 -40.725 1.00 0.00 H new ATOM 760 N PRO A 49 3.981 -9.559 -39.617 1.00 0.00 N ATOM 761 CA PRO A 49 4.167 -8.125 -39.509 1.00 0.00 C ATOM 762 C PRO A 49 3.744 -7.397 -40.803 1.00 0.00 C ATOM 763 O PRO A 49 4.466 -7.399 -41.811 1.00 0.00 O ATOM 764 CB PRO A 49 5.670 -7.984 -39.249 1.00 0.00 C ATOM 765 CG PRO A 49 6.287 -9.202 -39.843 1.00 0.00 C ATOM 766 CD PRO A 49 5.274 -10.290 -39.687 1.00 0.00 C ATOM 0 HA PRO A 49 3.556 -7.676 -38.725 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.066 -7.078 -39.709 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.880 -7.917 -38.182 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.532 -9.044 -40.893 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.216 -9.457 -39.334 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.297 -10.983 -40.528 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.452 -10.877 -38.786 1.00 0.00 H new ATOM 774 N ARG A 50 2.556 -6.846 -40.779 1.00 0.00 N ATOM 775 CA ARG A 50 1.983 -6.130 -41.907 1.00 0.00 C ATOM 776 C ARG A 50 2.437 -4.685 -41.901 1.00 0.00 C ATOM 777 O ARG A 50 2.731 -4.136 -40.848 1.00 0.00 O ATOM 778 CB ARG A 50 0.486 -6.093 -41.736 1.00 0.00 C ATOM 779 CG ARG A 50 -0.245 -7.412 -41.817 1.00 0.00 C ATOM 780 CD ARG A 50 -0.656 -7.753 -43.233 1.00 0.00 C ATOM 781 NE ARG A 50 -1.937 -8.458 -43.195 1.00 0.00 N ATOM 782 CZ ARG A 50 -3.046 -8.101 -43.846 1.00 0.00 C ATOM 783 NH1 ARG A 50 -2.998 -7.231 -44.853 1.00 0.00 N ATOM 784 NH2 ARG A 50 -4.192 -8.649 -43.488 1.00 0.00 N ATOM 0 H ARG A 50 1.944 -6.879 -39.964 1.00 0.00 H new ATOM 0 HA ARG A 50 2.291 -6.630 -42.826 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.266 -5.643 -40.768 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.074 -5.430 -42.497 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.394 -8.204 -41.425 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.131 -7.374 -41.183 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.742 -6.845 -43.830 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.103 -8.375 -43.707 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.987 -9.298 -42.619 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.105 -6.828 -45.136 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.854 -6.968 -45.341 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.217 -9.329 -42.729 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.053 -8.392 -43.971 1.00 0.00 H new ATOM 798 N GLN A 51 2.468 -4.083 -43.063 1.00 0.00 N ATOM 799 CA GLN A 51 2.706 -2.665 -43.197 1.00 0.00 C ATOM 800 C GLN A 51 1.387 -1.951 -43.140 1.00 0.00 C ATOM 801 O GLN A 51 0.342 -2.498 -43.506 1.00 0.00 O ATOM 802 CB GLN A 51 3.399 -2.317 -44.502 1.00 0.00 C ATOM 803 CG GLN A 51 4.896 -2.465 -44.482 1.00 0.00 C ATOM 804 CD GLN A 51 5.632 -1.145 -44.296 1.00 0.00 C ATOM 805 OE1 GLN A 51 6.715 -0.959 -44.833 1.00 0.00 O ATOM 806 NE2 GLN A 51 5.132 -0.288 -43.449 1.00 0.00 N ATOM 0 H GLN A 51 2.328 -4.566 -43.951 1.00 0.00 H new ATOM 0 HA GLN A 51 3.362 -2.356 -42.383 1.00 0.00 H new ATOM 0 HB2 GLN A 51 2.996 -2.952 -45.291 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.153 -1.288 -44.764 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.176 -3.145 -43.677 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.221 -2.925 -45.415 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.226 -0.468 -43.016 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.647 0.562 -43.220 1.00 0.00 H new ATOM 815 N LEU A 52 1.436 -0.760 -42.680 1.00 0.00 N ATOM 816 CA LEU A 52 0.242 0.036 -42.459 1.00 0.00 C ATOM 817 C LEU A 52 0.198 1.236 -43.358 1.00 0.00 C ATOM 818 O LEU A 52 -0.877 1.790 -43.623 1.00 0.00 O ATOM 819 CB LEU A 52 0.319 0.492 -41.013 1.00 0.00 C ATOM 820 CG LEU A 52 0.453 -0.673 -40.051 1.00 0.00 C ATOM 821 CD1 LEU A 52 0.759 -0.207 -38.679 1.00 0.00 C ATOM 822 CD2 LEU A 52 -0.800 -1.521 -40.080 1.00 0.00 C ATOM 0 H LEU A 52 2.305 -0.284 -42.436 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.652 -0.549 -42.672 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.170 1.162 -40.890 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.575 1.064 -40.766 1.00 0.00 H new ATOM 0 HG LEU A 52 1.292 -1.290 -40.374 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.849 -1.066 -38.014 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.697 0.347 -38.684 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.044 0.441 -38.327 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.692 -2.354 -39.385 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.657 -0.914 -39.788 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.955 -1.907 -41.088 1.00 0.00 H new ATOM 834 N ASN A 53 1.356 1.575 -43.869 1.00 0.00 N ATOM 835 CA ASN A 53 1.665 2.860 -44.559 1.00 0.00 C ATOM 836 C ASN A 53 1.012 3.052 -45.907 1.00 0.00 C ATOM 837 O ASN A 53 1.636 3.446 -46.880 1.00 0.00 O ATOM 838 CB ASN A 53 3.177 3.081 -44.624 1.00 0.00 C ATOM 839 CG ASN A 53 3.848 2.940 -43.264 1.00 0.00 C ATOM 840 OD1 ASN A 53 5.008 2.568 -43.168 1.00 0.00 O ATOM 841 ND2 ASN A 53 3.107 3.162 -42.204 1.00 0.00 N ATOM 0 H ASN A 53 2.163 0.953 -43.827 1.00 0.00 H new ATOM 0 HA ASN A 53 1.208 3.633 -43.941 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.616 2.364 -45.318 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.378 4.075 -45.023 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.497 3.025 -41.271 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.141 3.472 -42.313 1.00 0.00 H new ATOM 848 N GLU A 54 -0.227 2.821 -45.911 1.00 0.00 N ATOM 849 CA GLU A 54 -1.089 3.075 -46.999 1.00 0.00 C ATOM 850 C GLU A 54 -1.796 4.357 -46.660 1.00 0.00 C ATOM 851 O GLU A 54 -1.659 5.383 -47.336 1.00 0.00 O ATOM 852 CB GLU A 54 -2.084 1.943 -47.101 1.00 0.00 C ATOM 853 CG GLU A 54 -1.411 0.629 -47.305 1.00 0.00 C ATOM 854 CD GLU A 54 -0.772 0.529 -48.652 1.00 0.00 C ATOM 855 OE1 GLU A 54 -1.505 0.404 -49.652 1.00 0.00 O ATOM 856 OE2 GLU A 54 0.470 0.591 -48.739 1.00 0.00 O ATOM 0 H GLU A 54 -0.710 2.423 -45.106 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.559 3.153 -47.948 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.686 1.906 -46.193 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.767 2.133 -47.929 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.654 0.486 -46.534 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -2.140 -0.173 -47.189 1.00 0.00 H new ATOM 863 N ASN A 55 -2.497 4.287 -45.547 1.00 0.00 N ATOM 864 CA ASN A 55 -3.192 5.420 -44.949 1.00 0.00 C ATOM 865 C ASN A 55 -3.305 5.180 -43.438 1.00 0.00 C ATOM 866 O ASN A 55 -3.834 5.996 -42.696 1.00 0.00 O ATOM 867 CB ASN A 55 -4.613 5.602 -45.583 1.00 0.00 C ATOM 868 CG ASN A 55 -5.798 5.037 -44.756 1.00 0.00 C ATOM 869 OD1 ASN A 55 -6.436 5.754 -43.983 1.00 0.00 O ATOM 870 ND2 ASN A 55 -6.066 3.765 -44.881 1.00 0.00 N ATOM 0 H ASN A 55 -2.605 3.422 -45.017 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.629 6.334 -45.139 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.784 6.666 -45.747 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -4.617 5.124 -46.562 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.817 3.346 -44.332 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.525 3.191 -45.527 1.00 0.00 H new ATOM 877 N SER A 56 -2.727 4.088 -42.972 1.00 0.00 N ATOM 878 CA SER A 56 -2.944 3.667 -41.643 1.00 0.00 C ATOM 879 C SER A 56 -1.638 3.504 -40.924 1.00 0.00 C ATOM 880 O SER A 56 -0.580 3.471 -41.548 1.00 0.00 O ATOM 881 CB SER A 56 -3.714 2.355 -41.648 1.00 0.00 C ATOM 882 OG SER A 56 -4.896 2.470 -42.426 1.00 0.00 O ATOM 0 H SER A 56 -2.105 3.489 -43.515 1.00 0.00 H new ATOM 0 HA SER A 56 -3.527 4.424 -41.119 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.085 1.560 -42.048 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.971 2.074 -40.627 1.00 0.00 H new ATOM 0 HG SER A 56 -5.011 1.662 -42.968 1.00 0.00 H new ATOM 888 N PHE A 57 -1.709 3.469 -39.628 1.00 0.00 N ATOM 889 CA PHE A 57 -0.577 3.247 -38.775 1.00 0.00 C ATOM 890 C PHE A 57 -1.124 2.587 -37.528 1.00 0.00 C ATOM 891 O PHE A 57 -2.332 2.622 -37.321 1.00 0.00 O ATOM 892 CB PHE A 57 0.106 4.562 -38.398 1.00 0.00 C ATOM 893 CG PHE A 57 0.487 5.457 -39.557 1.00 0.00 C ATOM 894 CD1 PHE A 57 1.694 5.298 -40.198 1.00 0.00 C ATOM 895 CD2 PHE A 57 -0.382 6.441 -40.012 1.00 0.00 C ATOM 896 CE1 PHE A 57 2.037 6.100 -41.274 1.00 0.00 C ATOM 897 CE2 PHE A 57 -0.045 7.243 -41.084 1.00 0.00 C ATOM 898 CZ PHE A 57 1.167 7.071 -41.715 1.00 0.00 C ATOM 0 H PHE A 57 -2.583 3.598 -39.117 1.00 0.00 H new ATOM 0 HA PHE A 57 0.169 2.633 -39.280 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.557 5.118 -37.736 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.006 4.333 -37.828 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.382 4.539 -39.858 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.334 6.580 -39.521 1.00 0.00 H new ATOM 0 HE1 PHE A 57 2.988 5.963 -41.767 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.730 8.004 -41.427 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.434 7.697 -42.554 1.00 0.00 H new ATOM 908 N ALA A 58 -0.289 2.001 -36.717 1.00 0.00 N ATOM 909 CA ALA A 58 -0.760 1.320 -35.523 1.00 0.00 C ATOM 910 C ALA A 58 -0.066 1.860 -34.331 1.00 0.00 C ATOM 911 O ALA A 58 0.907 2.568 -34.464 1.00 0.00 O ATOM 912 CB ALA A 58 -0.556 -0.187 -35.604 1.00 0.00 C ATOM 0 H ALA A 58 0.722 1.976 -36.852 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.832 1.501 -35.442 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.923 -0.653 -34.690 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.105 -0.583 -36.459 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.506 -0.405 -35.722 1.00 0.00 H new ATOM 918 N ILE A 59 -0.573 1.550 -33.184 1.00 0.00 N ATOM 919 CA ILE A 59 0.009 1.976 -31.959 1.00 0.00 C ATOM 920 C ILE A 59 -0.344 1.000 -30.853 1.00 0.00 C ATOM 921 O ILE A 59 -1.397 0.344 -30.901 1.00 0.00 O ATOM 922 CB ILE A 59 -0.469 3.410 -31.588 1.00 0.00 C ATOM 923 CG1 ILE A 59 0.246 3.891 -30.338 1.00 0.00 C ATOM 924 CG2 ILE A 59 -1.989 3.455 -31.375 1.00 0.00 C ATOM 925 CD1 ILE A 59 0.128 5.358 -30.119 1.00 0.00 C ATOM 0 H ILE A 59 -1.415 0.986 -33.072 1.00 0.00 H new ATOM 0 HA ILE A 59 1.092 2.001 -32.080 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.226 4.071 -32.420 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.160 3.368 -29.472 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.301 3.625 -30.406 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.290 4.470 -31.117 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.494 3.148 -32.291 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.263 2.779 -30.565 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.661 5.634 -29.209 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.560 5.888 -30.968 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.923 5.628 -30.019 1.00 0.00 H new ATOM 937 N THR A 60 0.527 0.852 -29.909 1.00 0.00 N ATOM 938 CA THR A 60 0.245 0.089 -28.787 1.00 0.00 C ATOM 939 C THR A 60 0.095 1.046 -27.607 1.00 0.00 C ATOM 940 O THR A 60 1.045 1.640 -27.103 1.00 0.00 O ATOM 941 CB THR A 60 1.265 -1.068 -28.559 1.00 0.00 C ATOM 942 OG1 THR A 60 0.807 -1.941 -27.512 1.00 0.00 O ATOM 943 CG2 THR A 60 2.678 -0.576 -28.251 1.00 0.00 C ATOM 0 H THR A 60 1.457 1.271 -29.916 1.00 0.00 H new ATOM 0 HA THR A 60 -0.693 -0.449 -28.922 1.00 0.00 H new ATOM 0 HB THR A 60 1.322 -1.617 -29.499 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.172 -1.913 -27.467 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.337 -1.432 -28.103 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.044 0.024 -29.084 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.663 0.031 -27.346 1.00 0.00 H new ATOM 951 N THR A 61 -1.119 1.285 -27.288 1.00 0.00 N ATOM 952 CA THR A 61 -1.478 2.185 -26.256 1.00 0.00 C ATOM 953 C THR A 61 -2.686 1.602 -25.539 1.00 0.00 C ATOM 954 O THR A 61 -3.313 0.672 -26.044 1.00 0.00 O ATOM 955 CB THR A 61 -1.814 3.586 -26.848 1.00 0.00 C ATOM 956 OG1 THR A 61 -1.957 4.543 -25.803 1.00 0.00 O ATOM 957 CG2 THR A 61 -3.113 3.540 -27.649 1.00 0.00 C ATOM 0 H THR A 61 -1.916 0.848 -27.750 1.00 0.00 H new ATOM 0 HA THR A 61 -0.651 2.316 -25.558 1.00 0.00 H new ATOM 0 HB THR A 61 -0.993 3.873 -27.505 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.692 5.428 -26.131 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.327 4.530 -28.052 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.010 2.829 -28.468 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.931 3.229 -26.999 1.00 0.00 H new ATOM 965 N SER A 62 -2.991 2.097 -24.391 1.00 0.00 N ATOM 966 CA SER A 62 -4.095 1.599 -23.645 1.00 0.00 C ATOM 967 C SER A 62 -5.235 2.611 -23.609 1.00 0.00 C ATOM 968 O SER A 62 -6.356 2.287 -23.211 1.00 0.00 O ATOM 969 CB SER A 62 -3.604 1.296 -22.266 1.00 0.00 C ATOM 970 OG SER A 62 -2.979 2.450 -21.727 1.00 0.00 O ATOM 0 H SER A 62 -2.483 2.859 -23.942 1.00 0.00 H new ATOM 0 HA SER A 62 -4.491 0.698 -24.113 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.435 0.988 -21.631 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.899 0.465 -22.293 1.00 0.00 H new ATOM 0 HG SER A 62 -3.664 3.068 -21.396 1.00 0.00 H new ATOM 976 N LEU A 63 -4.938 3.832 -24.015 1.00 0.00 N ATOM 977 CA LEU A 63 -5.925 4.897 -24.029 1.00 0.00 C ATOM 978 C LEU A 63 -6.982 4.676 -25.088 1.00 0.00 C ATOM 979 O LEU A 63 -6.867 3.773 -25.932 1.00 0.00 O ATOM 980 CB LEU A 63 -5.271 6.299 -24.100 1.00 0.00 C ATOM 981 CG LEU A 63 -4.199 6.518 -25.160 1.00 0.00 C ATOM 982 CD1 LEU A 63 -4.772 6.767 -26.513 1.00 0.00 C ATOM 983 CD2 LEU A 63 -3.209 7.592 -24.751 1.00 0.00 C ATOM 0 H LEU A 63 -4.013 4.112 -24.342 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.448 4.864 -23.073 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.061 7.032 -24.263 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.832 6.516 -23.126 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.643 5.584 -25.234 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.964 6.916 -27.229 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.372 5.910 -26.817 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.400 7.658 -26.484 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.462 7.716 -25.535 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.736 8.534 -24.600 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.716 7.299 -23.824 1.00 0.00 H new ATOM 995 N ALA A 64 -7.998 5.480 -25.058 1.00 0.00 N ATOM 996 CA ALA A 64 -9.103 5.263 -25.938 1.00 0.00 C ATOM 997 C ALA A 64 -8.905 5.916 -27.287 1.00 0.00 C ATOM 998 O ALA A 64 -7.983 6.699 -27.472 1.00 0.00 O ATOM 999 CB ALA A 64 -10.413 5.675 -25.307 1.00 0.00 C ATOM 0 H ALA A 64 -8.086 6.286 -24.439 1.00 0.00 H new ATOM 0 HA ALA A 64 -9.150 4.188 -26.115 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.228 5.494 -26.008 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.579 5.093 -24.400 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.379 6.735 -25.057 1.00 0.00 H new ATOM 1005 N ALA A 65 -9.803 5.628 -28.202 1.00 0.00 N ATOM 1006 CA ALA A 65 -9.731 6.118 -29.570 1.00 0.00 C ATOM 1007 C ALA A 65 -9.723 7.631 -29.634 1.00 0.00 C ATOM 1008 O ALA A 65 -8.876 8.234 -30.298 1.00 0.00 O ATOM 1009 CB ALA A 65 -10.867 5.542 -30.400 1.00 0.00 C ATOM 0 H ALA A 65 -10.616 5.040 -28.020 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.784 5.779 -29.991 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.799 5.918 -31.421 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.796 4.454 -30.409 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.822 5.840 -29.966 1.00 0.00 H new ATOM 1015 N SER A 66 -10.607 8.236 -28.900 1.00 0.00 N ATOM 1016 CA SER A 66 -10.721 9.674 -28.887 1.00 0.00 C ATOM 1017 C SER A 66 -9.566 10.314 -28.096 1.00 0.00 C ATOM 1018 O SER A 66 -9.336 11.525 -28.171 1.00 0.00 O ATOM 1019 CB SER A 66 -12.077 10.054 -28.335 1.00 0.00 C ATOM 1020 OG SER A 66 -13.091 9.398 -29.088 1.00 0.00 O ATOM 0 H SER A 66 -11.270 7.754 -28.293 1.00 0.00 H new ATOM 0 HA SER A 66 -10.643 10.059 -29.904 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.147 9.771 -27.285 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.213 11.134 -28.384 1.00 0.00 H new ATOM 0 HG SER A 66 -13.971 9.640 -28.732 1.00 0.00 H new ATOM 1026 N GLU A 67 -8.810 9.483 -27.393 1.00 0.00 N ATOM 1027 CA GLU A 67 -7.669 9.945 -26.660 1.00 0.00 C ATOM 1028 C GLU A 67 -6.509 10.009 -27.616 1.00 0.00 C ATOM 1029 O GLU A 67 -5.754 10.980 -27.617 1.00 0.00 O ATOM 1030 CB GLU A 67 -7.337 9.014 -25.496 1.00 0.00 C ATOM 1031 CG GLU A 67 -8.410 8.909 -24.434 1.00 0.00 C ATOM 1032 CD GLU A 67 -8.698 10.225 -23.787 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -7.851 10.721 -23.020 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -9.786 10.781 -24.017 1.00 0.00 O ATOM 0 H GLU A 67 -8.979 8.480 -27.323 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.881 10.926 -26.236 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.140 8.018 -25.892 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.415 9.358 -25.027 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.324 8.519 -24.882 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.097 8.194 -23.674 1.00 0.00 H new ATOM 1041 N ILE A 68 -6.391 8.968 -28.474 1.00 0.00 N ATOM 1042 CA ILE A 68 -5.334 8.933 -29.488 1.00 0.00 C ATOM 1043 C ILE A 68 -5.466 10.143 -30.375 1.00 0.00 C ATOM 1044 O ILE A 68 -4.475 10.787 -30.703 1.00 0.00 O ATOM 1045 CB ILE A 68 -5.361 7.682 -30.411 1.00 0.00 C ATOM 1046 CG1 ILE A 68 -5.859 6.445 -29.672 1.00 0.00 C ATOM 1047 CG2 ILE A 68 -3.969 7.442 -30.974 1.00 0.00 C ATOM 1048 CD1 ILE A 68 -5.604 5.132 -30.354 1.00 0.00 C ATOM 0 H ILE A 68 -7.009 8.157 -28.478 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.397 8.907 -28.932 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.059 7.872 -31.226 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.391 6.419 -28.688 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.932 6.548 -29.512 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.985 6.565 -31.622 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.654 8.313 -31.549 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.269 7.276 -30.155 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.999 4.321 -29.742 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.097 5.125 -31.326 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.531 4.995 -30.490 1.00 0.00 H new ATOM 1060 N GLU A 69 -6.710 10.457 -30.744 1.00 0.00 N ATOM 1061 CA GLU A 69 -6.986 11.621 -31.555 1.00 0.00 C ATOM 1062 C GLU A 69 -6.423 12.866 -30.919 1.00 0.00 C ATOM 1063 O GLU A 69 -5.621 13.535 -31.526 1.00 0.00 O ATOM 1064 CB GLU A 69 -8.478 11.819 -31.815 1.00 0.00 C ATOM 1065 CG GLU A 69 -9.106 10.770 -32.689 1.00 0.00 C ATOM 1066 CD GLU A 69 -10.569 11.033 -32.948 1.00 0.00 C ATOM 1067 OE1 GLU A 69 -10.885 11.903 -33.786 1.00 0.00 O ATOM 1068 OE2 GLU A 69 -11.439 10.352 -32.345 1.00 0.00 O ATOM 0 H GLU A 69 -7.535 9.915 -30.489 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.500 11.444 -32.514 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.001 11.837 -30.859 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.626 12.795 -32.278 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.574 10.728 -33.639 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.994 9.794 -32.217 1.00 0.00 H new ATOM 1075 N ASP A 70 -6.798 13.126 -29.670 1.00 0.00 N ATOM 1076 CA ASP A 70 -6.382 14.357 -28.968 1.00 0.00 C ATOM 1077 C ASP A 70 -4.866 14.452 -28.856 1.00 0.00 C ATOM 1078 O ASP A 70 -4.287 15.533 -29.037 1.00 0.00 O ATOM 1079 CB ASP A 70 -7.054 14.476 -27.598 1.00 0.00 C ATOM 1080 CG ASP A 70 -6.776 15.806 -26.917 1.00 0.00 C ATOM 1081 OD1 ASP A 70 -7.274 16.835 -27.390 1.00 0.00 O ATOM 1082 OD2 ASP A 70 -6.097 15.834 -25.877 1.00 0.00 O ATOM 0 H ASP A 70 -7.389 12.507 -29.115 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.717 15.202 -29.569 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.131 14.351 -27.715 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.707 13.666 -26.957 1.00 0.00 H new ATOM 1087 N LEU A 71 -4.231 13.302 -28.621 1.00 0.00 N ATOM 1088 CA LEU A 71 -2.778 13.197 -28.600 1.00 0.00 C ATOM 1089 C LEU A 71 -2.198 13.725 -29.901 1.00 0.00 C ATOM 1090 O LEU A 71 -1.321 14.580 -29.905 1.00 0.00 O ATOM 1091 CB LEU A 71 -2.343 11.736 -28.426 1.00 0.00 C ATOM 1092 CG LEU A 71 -1.809 11.322 -27.062 1.00 0.00 C ATOM 1093 CD1 LEU A 71 -2.889 11.387 -25.995 1.00 0.00 C ATOM 1094 CD2 LEU A 71 -1.201 9.936 -27.150 1.00 0.00 C ATOM 0 H LEU A 71 -4.712 12.421 -28.441 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.410 13.787 -27.761 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.197 11.100 -28.661 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.573 11.523 -29.168 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.032 12.027 -26.766 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.471 11.085 -25.035 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.267 12.407 -25.921 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.706 10.716 -26.262 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.820 9.643 -26.172 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.962 9.225 -27.471 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.383 9.942 -27.871 1.00 0.00 H new ATOM 1106 N ILE A 72 -2.735 13.247 -30.996 1.00 0.00 N ATOM 1107 CA ILE A 72 -2.278 13.627 -32.310 1.00 0.00 C ATOM 1108 C ILE A 72 -2.664 15.080 -32.617 1.00 0.00 C ATOM 1109 O ILE A 72 -1.885 15.826 -33.217 1.00 0.00 O ATOM 1110 CB ILE A 72 -2.893 12.684 -33.365 1.00 0.00 C ATOM 1111 CG1 ILE A 72 -2.415 11.261 -33.113 1.00 0.00 C ATOM 1112 CG2 ILE A 72 -2.533 13.126 -34.784 1.00 0.00 C ATOM 1113 CD1 ILE A 72 -3.328 10.224 -33.676 1.00 0.00 C ATOM 0 H ILE A 72 -3.506 12.579 -31.001 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.191 13.546 -32.341 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.979 12.724 -33.275 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.423 11.136 -33.547 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.315 11.103 -32.039 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.982 12.441 -35.503 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.911 14.133 -34.958 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.450 13.119 -34.903 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.929 9.233 -33.461 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.315 10.324 -33.224 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.408 10.357 -34.755 1.00 0.00 H new ATOM 1125 N ARG A 73 -3.844 15.488 -32.153 1.00 0.00 N ATOM 1126 CA ARG A 73 -4.363 16.812 -32.437 1.00 0.00 C ATOM 1127 C ARG A 73 -3.468 17.908 -31.902 1.00 0.00 C ATOM 1128 O ARG A 73 -3.289 18.940 -32.546 1.00 0.00 O ATOM 1129 CB ARG A 73 -5.773 17.026 -31.913 1.00 0.00 C ATOM 1130 CG ARG A 73 -6.794 16.052 -32.450 1.00 0.00 C ATOM 1131 CD ARG A 73 -6.848 15.935 -33.967 1.00 0.00 C ATOM 1132 NE ARG A 73 -6.951 17.223 -34.665 1.00 0.00 N ATOM 1133 CZ ARG A 73 -7.564 17.410 -35.832 1.00 0.00 C ATOM 1134 NH1 ARG A 73 -8.432 16.503 -36.283 1.00 0.00 N ATOM 1135 NH2 ARG A 73 -7.353 18.533 -36.516 1.00 0.00 N ATOM 0 H ARG A 73 -4.457 14.912 -31.576 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.389 16.870 -33.525 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.758 16.954 -30.825 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -6.090 18.039 -32.161 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -6.586 15.067 -32.033 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.779 16.349 -32.090 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.953 15.417 -34.313 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.701 15.315 -34.243 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.521 18.035 -34.223 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.626 15.666 -35.734 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.901 16.647 -37.177 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.724 19.245 -36.145 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.820 18.681 -37.411 1.00 0.00 H new ATOM 1149 N LEU A 74 -2.883 17.680 -30.740 1.00 0.00 N ATOM 1150 CA LEU A 74 -2.027 18.676 -30.140 1.00 0.00 C ATOM 1151 C LEU A 74 -0.582 18.542 -30.647 1.00 0.00 C ATOM 1152 O LEU A 74 0.251 19.391 -30.400 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.149 18.653 -28.595 1.00 0.00 C ATOM 1154 CG LEU A 74 -1.606 17.427 -27.856 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -0.146 17.625 -27.489 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -2.441 17.123 -26.625 1.00 0.00 C ATOM 0 H LEU A 74 -2.986 16.821 -30.200 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.362 19.665 -30.454 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.638 19.533 -28.205 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.204 18.758 -28.340 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.673 16.569 -28.525 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.220 16.742 -26.965 1.00 0.00 H new ATOM 0 HD12 LEU A 74 0.440 17.778 -28.396 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.048 18.497 -26.843 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.035 16.248 -26.117 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.418 17.978 -25.949 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.470 16.924 -26.924 1.00 0.00 H new ATOM 1168 N LYS A 75 -0.302 17.480 -31.399 1.00 0.00 N ATOM 1169 CA LYS A 75 1.012 17.308 -32.016 1.00 0.00 C ATOM 1170 C LYS A 75 1.011 17.989 -33.371 1.00 0.00 C ATOM 1171 O LYS A 75 2.038 18.161 -34.014 1.00 0.00 O ATOM 1172 CB LYS A 75 1.436 15.817 -32.124 1.00 0.00 C ATOM 1173 CG LYS A 75 2.265 15.290 -30.934 1.00 0.00 C ATOM 1174 CD LYS A 75 1.555 15.468 -29.611 1.00 0.00 C ATOM 1175 CE LYS A 75 2.413 15.082 -28.411 1.00 0.00 C ATOM 1176 NZ LYS A 75 2.786 13.662 -28.404 1.00 0.00 N ATOM 0 H LYS A 75 -0.963 16.729 -31.595 1.00 0.00 H new ATOM 0 HA LYS A 75 1.757 17.775 -31.373 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.539 15.205 -32.222 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.014 15.684 -33.038 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.483 14.233 -31.087 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.222 15.811 -30.902 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.246 16.508 -29.509 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.647 14.865 -29.609 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.318 15.689 -28.408 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.871 15.314 -27.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.449 13.219 -27.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.353 13.185 -29.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.821 13.575 -28.461 1.00 0.00 H new ATOM 1190 N CYS A 76 -0.172 18.422 -33.771 1.00 0.00 N ATOM 1191 CA CYS A 76 -0.372 19.174 -34.991 1.00 0.00 C ATOM 1192 C CYS A 76 0.150 20.600 -34.793 1.00 0.00 C ATOM 1193 O CYS A 76 0.290 21.364 -35.736 1.00 0.00 O ATOM 1194 CB CYS A 76 -1.860 19.175 -35.340 1.00 0.00 C ATOM 1195 SG CYS A 76 -2.342 20.029 -36.861 1.00 0.00 S ATOM 0 H CYS A 76 -1.032 18.257 -33.247 1.00 0.00 H new ATOM 0 HA CYS A 76 0.176 18.717 -35.815 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.192 18.139 -35.412 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.403 19.627 -34.510 1.00 0.00 H new ATOM 0 HG CYS A 76 -3.629 19.940 -37.019 1.00 0.00 H new ATOM 1201 N LEU A 77 0.460 20.932 -33.546 1.00 0.00 N ATOM 1202 CA LEU A 77 1.027 22.220 -33.197 1.00 0.00 C ATOM 1203 C LEU A 77 2.494 22.280 -33.631 1.00 0.00 C ATOM 1204 O LEU A 77 3.109 23.356 -33.682 1.00 0.00 O ATOM 1205 CB LEU A 77 0.919 22.454 -31.686 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.493 22.389 -31.088 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.464 22.661 -29.595 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.430 23.350 -31.794 1.00 0.00 C ATOM 0 H LEU A 77 0.323 20.311 -32.749 1.00 0.00 H new ATOM 0 HA LEU A 77 0.470 23.001 -33.715 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.539 21.714 -31.180 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.342 23.433 -31.460 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.873 21.379 -31.240 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.477 22.609 -29.196 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.159 21.915 -29.101 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.053 23.654 -29.414 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.423 23.282 -31.350 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.054 24.368 -31.689 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.487 23.091 -32.851 1.00 0.00 H new ATOM 1220 N ASP A 78 3.053 21.123 -33.931 1.00 0.00 N ATOM 1221 CA ASP A 78 4.429 21.029 -34.400 1.00 0.00 C ATOM 1222 C ASP A 78 4.466 21.424 -35.843 1.00 0.00 C ATOM 1223 O ASP A 78 5.253 22.270 -36.264 1.00 0.00 O ATOM 1224 CB ASP A 78 4.920 19.591 -34.302 1.00 0.00 C ATOM 1225 CG ASP A 78 6.414 19.455 -34.538 1.00 0.00 C ATOM 1226 OD1 ASP A 78 6.873 19.500 -35.701 1.00 0.00 O ATOM 1227 OD2 ASP A 78 7.167 19.302 -33.551 1.00 0.00 O ATOM 0 H ASP A 78 2.573 20.226 -33.858 1.00 0.00 H new ATOM 0 HA ASP A 78 5.058 21.678 -33.791 1.00 0.00 H new ATOM 0 HB2 ASP A 78 4.677 19.197 -33.315 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.386 18.980 -35.030 1.00 0.00 H new ATOM 1232 N LEU A 79 3.564 20.834 -36.582 1.00 0.00 N ATOM 1233 CA LEU A 79 3.498 21.018 -38.016 1.00 0.00 C ATOM 1234 C LEU A 79 2.908 22.394 -38.358 1.00 0.00 C ATOM 1235 O LEU A 79 2.213 22.988 -37.527 1.00 0.00 O ATOM 1236 CB LEU A 79 2.680 19.855 -38.639 1.00 0.00 C ATOM 1237 CG LEU A 79 1.196 19.748 -38.246 1.00 0.00 C ATOM 1238 CD1 LEU A 79 0.327 20.688 -39.045 1.00 0.00 C ATOM 1239 CD2 LEU A 79 0.703 18.323 -38.323 1.00 0.00 C ATOM 0 H LEU A 79 2.849 20.209 -36.209 1.00 0.00 H new ATOM 0 HA LEU A 79 4.501 20.995 -38.441 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.736 19.946 -39.724 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.168 18.918 -38.372 1.00 0.00 H new ATOM 0 HG LEU A 79 1.119 20.061 -37.205 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.712 20.577 -38.733 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.649 21.715 -38.874 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.415 20.452 -40.105 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.349 18.286 -38.039 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.817 17.953 -39.342 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.285 17.700 -37.644 1.00 0.00 H new ATOM 1251 N PRO A 80 3.200 22.926 -39.563 1.00 0.00 N ATOM 1252 CA PRO A 80 2.648 24.203 -40.013 1.00 0.00 C ATOM 1253 C PRO A 80 1.103 24.206 -40.036 1.00 0.00 C ATOM 1254 O PRO A 80 0.475 24.840 -39.181 1.00 0.00 O ATOM 1255 CB PRO A 80 3.232 24.412 -41.419 1.00 0.00 C ATOM 1256 CG PRO A 80 3.880 23.115 -41.800 1.00 0.00 C ATOM 1257 CD PRO A 80 4.134 22.348 -40.537 1.00 0.00 C ATOM 0 HA PRO A 80 2.914 25.010 -39.330 1.00 0.00 H new ATOM 0 HB2 PRO A 80 2.450 24.680 -42.129 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.958 25.225 -41.422 1.00 0.00 H new ATOM 0 HG2 PRO A 80 3.235 22.547 -42.470 1.00 0.00 H new ATOM 0 HG3 PRO A 80 4.814 23.295 -42.333 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.953 21.282 -40.676 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.168 22.456 -40.208 1.00 0.00 H new ATOM 1265 N ASP A 81 0.493 23.479 -40.979 1.00 0.00 N ATOM 1266 CA ASP A 81 -0.979 23.391 -41.058 1.00 0.00 C ATOM 1267 C ASP A 81 -1.405 22.303 -42.038 1.00 0.00 C ATOM 1268 O ASP A 81 -0.809 22.163 -43.106 1.00 0.00 O ATOM 1269 CB ASP A 81 -1.604 24.738 -41.481 1.00 0.00 C ATOM 1270 CG ASP A 81 -3.121 24.704 -41.542 1.00 0.00 C ATOM 1271 OD1 ASP A 81 -3.777 24.962 -40.502 1.00 0.00 O ATOM 1272 OD2 ASP A 81 -3.683 24.448 -42.618 1.00 0.00 O ATOM 0 H ASP A 81 0.986 22.945 -41.695 1.00 0.00 H new ATOM 0 HA ASP A 81 -1.340 23.139 -40.061 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.293 25.511 -40.779 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.214 25.020 -42.459 1.00 0.00 H new ATOM 1277 N ILE A 82 -2.408 21.528 -41.650 1.00 0.00 N ATOM 1278 CA ILE A 82 -2.979 20.474 -42.461 1.00 0.00 C ATOM 1279 C ILE A 82 -4.338 20.057 -41.900 1.00 0.00 C ATOM 1280 O ILE A 82 -4.456 19.700 -40.721 1.00 0.00 O ATOM 1281 CB ILE A 82 -2.054 19.201 -42.574 1.00 0.00 C ATOM 1282 CG1 ILE A 82 -2.793 18.044 -43.272 1.00 0.00 C ATOM 1283 CG2 ILE A 82 -1.520 18.768 -41.226 1.00 0.00 C ATOM 1284 CD1 ILE A 82 -1.965 16.791 -43.433 1.00 0.00 C ATOM 0 H ILE A 82 -2.855 21.621 -40.738 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.086 20.886 -43.464 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.196 19.478 -43.187 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.690 17.803 -42.701 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.122 18.378 -44.256 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.888 17.888 -41.350 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.934 19.577 -40.790 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.353 18.526 -40.565 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.558 16.025 -43.933 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.081 17.013 -44.031 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.658 16.429 -42.452 1.00 0.00 H new ATOM 1296 N ASP A 83 -5.362 20.166 -42.704 1.00 0.00 N ATOM 1297 CA ASP A 83 -6.653 19.615 -42.332 1.00 0.00 C ATOM 1298 C ASP A 83 -6.648 18.138 -42.604 1.00 0.00 C ATOM 1299 O ASP A 83 -6.763 17.704 -43.747 1.00 0.00 O ATOM 1300 CB ASP A 83 -7.827 20.275 -43.069 1.00 0.00 C ATOM 1301 CG ASP A 83 -9.153 19.553 -42.822 1.00 0.00 C ATOM 1302 OD1 ASP A 83 -9.654 19.547 -41.665 1.00 0.00 O ATOM 1303 OD2 ASP A 83 -9.703 18.954 -43.767 1.00 0.00 O ATOM 0 H ASP A 83 -5.336 20.626 -43.614 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.801 19.816 -41.271 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.916 21.313 -42.748 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.618 20.289 -44.139 1.00 0.00 H new ATOM 1308 N PHE A 84 -6.426 17.382 -41.580 1.00 0.00 N ATOM 1309 CA PHE A 84 -6.432 15.963 -41.699 1.00 0.00 C ATOM 1310 C PHE A 84 -7.554 15.407 -40.878 1.00 0.00 C ATOM 1311 O PHE A 84 -7.968 16.014 -39.875 1.00 0.00 O ATOM 1312 CB PHE A 84 -5.081 15.339 -41.255 1.00 0.00 C ATOM 1313 CG PHE A 84 -4.721 15.547 -39.796 1.00 0.00 C ATOM 1314 CD1 PHE A 84 -5.148 14.653 -38.821 1.00 0.00 C ATOM 1315 CD2 PHE A 84 -3.959 16.625 -39.412 1.00 0.00 C ATOM 1316 CE1 PHE A 84 -4.817 14.844 -37.491 1.00 0.00 C ATOM 1317 CE2 PHE A 84 -3.621 16.824 -38.087 1.00 0.00 C ATOM 1318 CZ PHE A 84 -4.051 15.933 -37.125 1.00 0.00 C ATOM 0 H PHE A 84 -6.236 17.730 -40.640 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.575 15.707 -42.749 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.110 14.268 -41.456 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.286 15.757 -41.872 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -5.745 13.799 -39.105 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.619 17.328 -40.158 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -5.157 14.144 -36.742 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.021 17.676 -37.805 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.789 16.087 -36.089 1.00 0.00 H new ATOM 1328 N ASP A 85 -8.045 14.302 -41.291 1.00 0.00 N ATOM 1329 CA ASP A 85 -9.052 13.590 -40.563 1.00 0.00 C ATOM 1330 C ASP A 85 -8.538 12.219 -40.295 1.00 0.00 C ATOM 1331 O ASP A 85 -8.106 11.529 -41.213 1.00 0.00 O ATOM 1332 CB ASP A 85 -10.373 13.509 -41.336 1.00 0.00 C ATOM 1333 CG ASP A 85 -11.386 12.615 -40.643 1.00 0.00 C ATOM 1334 OD1 ASP A 85 -11.991 13.042 -39.637 1.00 0.00 O ATOM 1335 OD2 ASP A 85 -11.591 11.463 -41.101 1.00 0.00 O ATOM 0 H ASP A 85 -7.761 13.848 -42.159 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.260 14.122 -39.634 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -10.790 14.510 -41.447 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -10.182 13.130 -42.340 1.00 0.00 H new ATOM 1340 N LEU A 86 -8.533 11.821 -39.076 1.00 0.00 N ATOM 1341 CA LEU A 86 -8.057 10.520 -38.757 1.00 0.00 C ATOM 1342 C LEU A 86 -9.198 9.699 -38.238 1.00 0.00 C ATOM 1343 O LEU A 86 -10.185 10.238 -37.740 1.00 0.00 O ATOM 1344 CB LEU A 86 -6.929 10.543 -37.712 1.00 0.00 C ATOM 1345 CG LEU A 86 -7.347 10.793 -36.249 1.00 0.00 C ATOM 1346 CD1 LEU A 86 -6.231 10.466 -35.318 1.00 0.00 C ATOM 1347 CD2 LEU A 86 -7.801 12.213 -36.015 1.00 0.00 C ATOM 0 H LEU A 86 -8.852 12.374 -38.281 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.645 10.086 -39.668 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.403 9.589 -37.758 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.215 11.315 -37.999 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.193 10.135 -36.050 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -6.548 10.650 -34.291 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -5.958 9.417 -35.431 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -5.369 11.092 -35.549 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.084 12.337 -34.970 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.988 12.899 -36.254 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.659 12.430 -36.652 1.00 0.00 H new ATOM 1359 N ASN A 87 -9.089 8.437 -38.383 1.00 0.00 N ATOM 1360 CA ASN A 87 -10.041 7.538 -37.861 1.00 0.00 C ATOM 1361 C ASN A 87 -9.317 6.493 -37.050 1.00 0.00 C ATOM 1362 O ASN A 87 -8.503 5.741 -37.594 1.00 0.00 O ATOM 1363 CB ASN A 87 -10.822 6.896 -39.004 1.00 0.00 C ATOM 1364 CG ASN A 87 -11.822 5.886 -38.524 1.00 0.00 C ATOM 1365 OD1 ASN A 87 -12.956 6.218 -38.218 1.00 0.00 O ATOM 1366 ND2 ASN A 87 -11.416 4.657 -38.469 1.00 0.00 N ATOM 0 H ASN A 87 -8.319 7.989 -38.879 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.750 8.062 -37.220 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -11.338 7.673 -39.568 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -10.125 6.414 -39.690 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -12.053 3.923 -38.161 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -10.459 4.424 -38.734 1.00 0.00 H new ATOM 1373 N ILE A 88 -9.538 6.499 -35.766 1.00 0.00 N ATOM 1374 CA ILE A 88 -8.960 5.507 -34.894 1.00 0.00 C ATOM 1375 C ILE A 88 -9.852 4.285 -34.864 1.00 0.00 C ATOM 1376 O ILE A 88 -11.077 4.400 -34.780 1.00 0.00 O ATOM 1377 CB ILE A 88 -8.805 6.018 -33.447 1.00 0.00 C ATOM 1378 CG1 ILE A 88 -7.888 7.240 -33.375 1.00 0.00 C ATOM 1379 CG2 ILE A 88 -8.251 4.901 -32.567 1.00 0.00 C ATOM 1380 CD1 ILE A 88 -6.468 6.944 -33.761 1.00 0.00 C ATOM 0 H ILE A 88 -10.122 7.188 -35.292 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.971 5.272 -35.287 1.00 0.00 H new ATOM 0 HB ILE A 88 -9.789 6.320 -33.088 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -8.280 8.018 -34.030 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.905 7.639 -32.361 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -8.142 5.263 -31.545 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -8.936 4.053 -32.580 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.279 4.587 -32.946 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.874 7.855 -33.687 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.059 6.188 -33.091 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.439 6.574 -34.786 1.00 0.00 H new ATOM 1392 N MET A 89 -9.249 3.144 -34.954 1.00 0.00 N ATOM 1393 CA MET A 89 -9.929 1.898 -34.868 1.00 0.00 C ATOM 1394 C MET A 89 -8.967 0.932 -34.220 1.00 0.00 C ATOM 1395 O MET A 89 -7.781 1.165 -34.227 1.00 0.00 O ATOM 1396 CB MET A 89 -10.330 1.382 -36.276 1.00 0.00 C ATOM 1397 CG MET A 89 -9.168 0.818 -37.104 1.00 0.00 C ATOM 1398 SD MET A 89 -9.625 0.379 -38.797 1.00 0.00 S ATOM 1399 CE MET A 89 -9.816 1.978 -39.552 1.00 0.00 C ATOM 0 H MET A 89 -8.243 3.054 -35.093 1.00 0.00 H new ATOM 0 HA MET A 89 -10.848 2.001 -34.291 1.00 0.00 H new ATOM 0 HB2 MET A 89 -11.088 0.607 -36.162 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.791 2.199 -36.831 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.364 1.554 -37.134 1.00 0.00 H new ATOM 0 HG3 MET A 89 -8.773 -0.066 -36.603 1.00 0.00 H new ATOM 0 HE1 MET A 89 -9.451 1.942 -40.579 1.00 0.00 H new ATOM 0 HE2 MET A 89 -10.870 2.257 -39.551 1.00 0.00 H new ATOM 0 HE3 MET A 89 -9.244 2.716 -38.990 1.00 0.00 H new ATOM 1409 N THR A 90 -9.447 -0.068 -33.612 1.00 0.00 N ATOM 1410 CA THR A 90 -8.624 -1.112 -33.108 1.00 0.00 C ATOM 1411 C THR A 90 -8.017 -1.928 -34.275 1.00 0.00 C ATOM 1412 O THR A 90 -8.614 -2.016 -35.339 1.00 0.00 O ATOM 1413 CB THR A 90 -9.517 -1.971 -32.234 1.00 0.00 C ATOM 1414 OG1 THR A 90 -10.876 -1.586 -32.525 1.00 0.00 O ATOM 1415 CG2 THR A 90 -9.259 -1.686 -30.791 1.00 0.00 C ATOM 0 H THR A 90 -10.443 -0.201 -33.439 1.00 0.00 H new ATOM 0 HA THR A 90 -7.784 -0.723 -32.532 1.00 0.00 H new ATOM 0 HB THR A 90 -9.331 -3.027 -32.428 1.00 0.00 H new ATOM 0 HG1 THR A 90 -11.446 -2.383 -32.540 1.00 0.00 H new ATOM 0 HG21 THR A 90 -9.907 -2.310 -30.175 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.217 -1.904 -30.558 1.00 0.00 H new ATOM 0 HG23 THR A 90 -9.464 -0.636 -30.585 1.00 0.00 H new ATOM 1423 N VAL A 91 -6.823 -2.469 -34.076 1.00 0.00 N ATOM 1424 CA VAL A 91 -6.121 -3.320 -35.072 1.00 0.00 C ATOM 1425 C VAL A 91 -7.033 -4.472 -35.516 1.00 0.00 C ATOM 1426 O VAL A 91 -7.138 -4.788 -36.712 1.00 0.00 O ATOM 1427 CB VAL A 91 -4.837 -3.905 -34.430 1.00 0.00 C ATOM 1428 CG1 VAL A 91 -4.178 -4.955 -35.314 1.00 0.00 C ATOM 1429 CG2 VAL A 91 -3.847 -2.813 -34.137 1.00 0.00 C ATOM 0 H VAL A 91 -6.294 -2.338 -33.214 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.861 -2.714 -35.940 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.143 -4.386 -33.501 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.283 -5.335 -34.822 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.875 -5.776 -35.485 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.904 -4.507 -36.269 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.953 -3.244 -33.687 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.579 -2.307 -35.064 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.291 -2.095 -33.447 1.00 0.00 H new ATOM 1439 N ASP A 92 -7.727 -5.032 -34.546 1.00 0.00 N ATOM 1440 CA ASP A 92 -8.681 -6.129 -34.744 1.00 0.00 C ATOM 1441 C ASP A 92 -9.823 -5.684 -35.657 1.00 0.00 C ATOM 1442 O ASP A 92 -10.358 -6.451 -36.454 1.00 0.00 O ATOM 1443 CB ASP A 92 -9.236 -6.542 -33.378 1.00 0.00 C ATOM 1444 CG ASP A 92 -10.239 -7.672 -33.427 1.00 0.00 C ATOM 1445 OD1 ASP A 92 -9.817 -8.837 -33.501 1.00 0.00 O ATOM 1446 OD2 ASP A 92 -11.458 -7.413 -33.350 1.00 0.00 O ATOM 0 H ASP A 92 -7.649 -4.738 -33.573 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.177 -6.973 -35.215 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.406 -6.837 -32.736 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -9.706 -5.675 -32.913 1.00 0.00 H new ATOM 1451 N ASP A 93 -10.133 -4.420 -35.574 1.00 0.00 N ATOM 1452 CA ASP A 93 -11.204 -3.820 -36.342 1.00 0.00 C ATOM 1453 C ASP A 93 -10.685 -3.230 -37.649 1.00 0.00 C ATOM 1454 O ASP A 93 -11.455 -2.753 -38.486 1.00 0.00 O ATOM 1455 CB ASP A 93 -11.948 -2.769 -35.511 1.00 0.00 C ATOM 1456 CG ASP A 93 -12.822 -3.374 -34.430 1.00 0.00 C ATOM 1457 OD1 ASP A 93 -13.990 -3.698 -34.714 1.00 0.00 O ATOM 1458 OD2 ASP A 93 -12.367 -3.517 -33.273 1.00 0.00 O ATOM 0 H ASP A 93 -9.646 -3.763 -34.964 1.00 0.00 H new ATOM 0 HA ASP A 93 -11.914 -4.606 -36.599 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.222 -2.099 -35.050 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.567 -2.163 -36.173 1.00 0.00 H new ATOM 1463 N TYR A 94 -9.385 -3.278 -37.823 1.00 0.00 N ATOM 1464 CA TYR A 94 -8.739 -2.819 -39.032 1.00 0.00 C ATOM 1465 C TYR A 94 -8.530 -3.956 -40.002 1.00 0.00 C ATOM 1466 O TYR A 94 -9.011 -3.912 -41.140 1.00 0.00 O ATOM 1467 CB TYR A 94 -7.402 -2.161 -38.707 1.00 0.00 C ATOM 1468 CG TYR A 94 -6.520 -1.845 -39.912 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -6.828 -0.809 -40.784 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -5.369 -2.589 -40.163 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -6.012 -0.533 -41.869 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -4.555 -2.315 -41.245 1.00 0.00 C ATOM 1473 CZ TYR A 94 -4.881 -1.289 -42.095 1.00 0.00 C ATOM 1474 OH TYR A 94 -4.070 -1.008 -43.185 1.00 0.00 O ATOM 0 H TYR A 94 -8.739 -3.641 -37.122 1.00 0.00 H new ATOM 0 HA TYR A 94 -9.393 -2.083 -39.500 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.594 -1.235 -38.165 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.848 -2.815 -38.034 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.712 -0.213 -40.615 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -5.107 -3.398 -39.497 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.262 0.276 -42.539 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -3.668 -2.905 -41.421 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.314 -1.632 -43.200 1.00 0.00 H new ATOM 1484 N PHE A 95 -7.829 -4.979 -39.550 1.00 0.00 N ATOM 1485 CA PHE A 95 -7.493 -6.130 -40.399 1.00 0.00 C ATOM 1486 C PHE A 95 -8.709 -6.903 -40.876 1.00 0.00 C ATOM 1487 O PHE A 95 -8.649 -7.637 -41.850 1.00 0.00 O ATOM 1488 CB PHE A 95 -6.498 -7.062 -39.736 1.00 0.00 C ATOM 1489 CG PHE A 95 -5.073 -6.574 -39.747 1.00 0.00 C ATOM 1490 CD1 PHE A 95 -4.492 -6.139 -40.929 1.00 0.00 C ATOM 1491 CD2 PHE A 95 -4.308 -6.549 -38.586 1.00 0.00 C ATOM 1492 CE1 PHE A 95 -3.192 -5.690 -40.952 1.00 0.00 C ATOM 1493 CE2 PHE A 95 -3.003 -6.099 -38.614 1.00 0.00 C ATOM 1494 CZ PHE A 95 -2.450 -5.671 -39.796 1.00 0.00 C ATOM 0 H PHE A 95 -7.475 -5.046 -38.596 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.022 -5.700 -41.283 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.805 -7.223 -38.702 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -6.540 -8.030 -40.235 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -5.068 -6.153 -41.843 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.739 -6.885 -37.654 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.754 -5.352 -41.880 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -2.417 -6.084 -37.707 1.00 0.00 H new ATOM 0 HZ PHE A 95 -1.429 -5.319 -39.817 1.00 0.00 H new ATOM 1504 N ARG A 96 -9.805 -6.723 -40.198 1.00 0.00 N ATOM 1505 CA ARG A 96 -11.065 -7.324 -40.607 1.00 0.00 C ATOM 1506 C ARG A 96 -11.547 -6.759 -41.957 1.00 0.00 C ATOM 1507 O ARG A 96 -12.433 -7.313 -42.597 1.00 0.00 O ATOM 1508 CB ARG A 96 -12.130 -7.193 -39.493 1.00 0.00 C ATOM 1509 CG ARG A 96 -12.524 -5.783 -39.080 1.00 0.00 C ATOM 1510 CD ARG A 96 -13.522 -5.129 -40.035 1.00 0.00 C ATOM 1511 NE ARG A 96 -14.786 -5.873 -40.118 1.00 0.00 N ATOM 1512 CZ ARG A 96 -15.539 -6.001 -41.222 1.00 0.00 C ATOM 1513 NH1 ARG A 96 -15.163 -5.426 -42.364 1.00 0.00 N ATOM 1514 NH2 ARG A 96 -16.666 -6.694 -41.173 1.00 0.00 N ATOM 0 H ARG A 96 -9.863 -6.161 -39.349 1.00 0.00 H new ATOM 0 HA ARG A 96 -10.898 -8.390 -40.761 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -13.029 -7.714 -39.821 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.763 -7.715 -38.609 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.955 -5.812 -38.079 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.628 -5.165 -39.023 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.724 -4.110 -39.704 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.078 -5.059 -41.028 1.00 0.00 H new ATOM 0 HE ARG A 96 -15.118 -6.329 -39.268 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.299 -4.885 -42.402 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.739 -5.527 -43.200 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.960 -7.129 -40.298 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -17.240 -6.793 -42.010 1.00 0.00 H new ATOM 1528 N GLN A 97 -10.973 -5.634 -42.359 1.00 0.00 N ATOM 1529 CA GLN A 97 -11.296 -5.031 -43.636 1.00 0.00 C ATOM 1530 C GLN A 97 -10.256 -5.480 -44.653 1.00 0.00 C ATOM 1531 O GLN A 97 -10.578 -5.931 -45.755 1.00 0.00 O ATOM 1532 CB GLN A 97 -11.220 -3.507 -43.537 1.00 0.00 C ATOM 1533 CG GLN A 97 -11.968 -2.899 -42.371 1.00 0.00 C ATOM 1534 CD GLN A 97 -11.686 -1.426 -42.238 1.00 0.00 C ATOM 1535 OE1 GLN A 97 -10.621 -1.122 -41.565 1.00 0.00 O flip ATOM 1536 NE2 GLN A 97 -12.389 -0.583 -42.778 1.00 0.00 N flip ATOM 0 H GLN A 97 -10.279 -5.122 -41.814 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.302 -5.331 -43.929 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.172 -3.215 -43.468 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.609 -3.079 -44.461 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.039 -3.054 -42.504 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.684 -3.409 -41.450 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -13.219 -0.868 -43.298 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -12.145 0.405 -42.708 1.00 0.00 H new ATOM 1545 N PHE A 98 -9.004 -5.378 -44.255 1.00 0.00 N ATOM 1546 CA PHE A 98 -7.890 -5.642 -45.136 1.00 0.00 C ATOM 1547 C PHE A 98 -7.293 -6.990 -44.854 1.00 0.00 C ATOM 1548 O PHE A 98 -6.532 -7.162 -43.903 1.00 0.00 O ATOM 1549 CB PHE A 98 -6.812 -4.565 -44.979 1.00 0.00 C ATOM 1550 CG PHE A 98 -7.318 -3.174 -45.175 1.00 0.00 C ATOM 1551 CD1 PHE A 98 -7.808 -2.463 -44.105 1.00 0.00 C ATOM 1552 CD2 PHE A 98 -7.312 -2.583 -46.423 1.00 0.00 C ATOM 1553 CE1 PHE A 98 -8.285 -1.190 -44.261 1.00 0.00 C ATOM 1554 CE2 PHE A 98 -7.791 -1.298 -46.593 1.00 0.00 C ATOM 1555 CZ PHE A 98 -8.281 -0.599 -45.506 1.00 0.00 C ATOM 0 H PHE A 98 -8.732 -5.109 -43.309 1.00 0.00 H new ATOM 0 HA PHE A 98 -8.265 -5.628 -46.159 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -6.373 -4.645 -43.984 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -6.014 -4.756 -45.696 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -7.817 -2.917 -43.125 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -6.930 -3.129 -47.273 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -8.665 -0.648 -43.408 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.783 -0.842 -47.572 1.00 0.00 H new ATOM 0 HZ PHE A 98 -8.659 0.405 -45.632 1.00 0.00 H new ATOM 1565 N TYR A 99 -7.645 -7.933 -45.651 1.00 0.00 N ATOM 1566 CA TYR A 99 -7.118 -9.259 -45.527 1.00 0.00 C ATOM 1567 C TYR A 99 -5.921 -9.422 -46.430 1.00 0.00 C ATOM 1568 O TYR A 99 -5.366 -8.422 -46.907 1.00 0.00 O ATOM 1569 CB TYR A 99 -8.185 -10.296 -45.843 1.00 0.00 C ATOM 1570 CG TYR A 99 -9.188 -10.494 -44.744 1.00 0.00 C ATOM 1571 CD1 TYR A 99 -8.856 -11.243 -43.632 1.00 0.00 C ATOM 1572 CD2 TYR A 99 -10.461 -9.955 -44.819 1.00 0.00 C ATOM 1573 CE1 TYR A 99 -9.766 -11.457 -42.616 1.00 0.00 C ATOM 1574 CE2 TYR A 99 -11.378 -10.159 -43.808 1.00 0.00 C ATOM 1575 CZ TYR A 99 -11.023 -10.911 -42.707 1.00 0.00 C ATOM 1576 OH TYR A 99 -11.943 -11.131 -41.701 1.00 0.00 O ATOM 0 H TYR A 99 -8.310 -7.814 -46.415 1.00 0.00 H new ATOM 0 HA TYR A 99 -6.800 -9.416 -44.496 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -8.710 -9.997 -46.750 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -7.700 -11.249 -46.054 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -7.867 -11.669 -43.556 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.740 -9.367 -45.681 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -9.491 -12.050 -41.756 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -12.368 -9.732 -43.878 1.00 0.00 H new ATOM 0 HH TYR A 99 -12.782 -10.674 -41.919 1.00 0.00 H new ATOM 1586 N LYS A 100 -5.499 -10.656 -46.607 1.00 0.00 N ATOM 1587 CA LYS A 100 -4.391 -10.999 -47.461 1.00 0.00 C ATOM 1588 C LYS A 100 -4.653 -10.522 -48.894 1.00 0.00 C ATOM 1589 O LYS A 100 -4.159 -9.464 -49.266 1.00 0.00 O ATOM 1590 CB LYS A 100 -4.205 -12.504 -47.468 1.00 0.00 C ATOM 1591 CG LYS A 100 -3.060 -12.958 -48.366 1.00 0.00 C ATOM 1592 CD LYS A 100 -3.181 -14.417 -48.772 1.00 0.00 C ATOM 1593 CE LYS A 100 -4.484 -14.688 -49.541 1.00 0.00 C ATOM 1594 NZ LYS A 100 -4.707 -13.727 -50.655 1.00 0.00 N ATOM 0 H LYS A 100 -5.927 -11.461 -46.151 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.493 -10.512 -47.080 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.019 -12.846 -46.450 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.129 -12.977 -47.800 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.036 -12.336 -49.261 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.114 -12.806 -47.847 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.328 -14.694 -49.392 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.146 -15.046 -47.883 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.460 -15.702 -49.941 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.325 -14.638 -48.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.433 -14.103 -51.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.025 -12.815 -50.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.819 -13.590 -51.178 1.00 0.00 H new TER 1608 LYS A 100