USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 947 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 119 GLN : amide:sc= -2.41! K(o=-7.7!,f=-0.099) USER MOD Set 1.2: A 123 GLN : amide:sc= -5.34! K(o=-7.7!,f=1.2) USER MOD Set 2.1: A 97 SER OG : rot 178:sc= 0.848 USER MOD Set 2.2: A 104 LYS NZ :NH3+ 142:sc= 0.969 (180deg=0) USER MOD Set 3.1: A 98 GLN : amide:sc= 0.472 X(o=0.1,f=-0.17) USER MOD Set 3.2: A 100 ASN : amide:sc= -0.368 X(o=0.1,f=-0.021) USER MOD Set 4.1: A 96 THR OG1 : rot -134:sc= 1.25 USER MOD Set 4.2: A 101 THR OG1 : rot -9:sc= 0.179 USER MOD Set 5.1: A 68 TYR OH : rot 30:sc= -0.149 USER MOD Set 5.2: A 94 LYS NZ :NH3+ -154:sc= 0.422 (180deg=0.23) USER MOD Set 6.1: A 52 TYR OH : rot 180:sc= 0.617 USER MOD Set 6.2: A 69 SER OG : rot -115:sc= 0.679 USER MOD Set 7.1: A 24 THR OG1 : rot -149:sc= -0.376 USER MOD Set 7.2: A 26 GLN : amide:sc= -0.903 K(o=-1.3,f=-1.9!) USER MOD Single : A 20 HIS : no HD1:sc= -0.593 X(o=-0.59,f=-0.51) USER MOD Single : A 21 MET CE :methyl -128:sc= 0 (180deg=-0.065) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.952 K(o=-0.95,f=-0.2) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0251) USER MOD Single : A 43 GLN : amide:sc= -0.0582 X(o=-0.058,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.0439 K(o=0.044,f=-2.6!) USER MOD Single : A 48 ASN : amide:sc= 0.951 K(o=0.95,f=-4!) USER MOD Single : A 49 GLN : amide:sc= 0.755 K(o=0.76,f=-0.0032) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 167:sc= 0.848 (180deg=0.472) USER MOD Single : A 89 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.012) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -142:sc= 0.0324 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.48) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot -150:sc= 0.0936 USER MOD Single : A 120 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -7.849 -16.438 -6.000 1.00 0.00 N ATOM 2 CA GLY A 19 -8.098 -15.783 -7.290 1.00 0.00 C ATOM 3 C GLY A 19 -8.872 -14.489 -7.086 1.00 0.00 C ATOM 4 O GLY A 19 -8.337 -13.521 -6.554 1.00 0.00 O ATOM 0 HA2 GLY A 19 -7.151 -15.573 -7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.660 -16.452 -7.942 1.00 0.00 H new ATOM 8 N HIS A 20 -10.127 -14.458 -7.531 1.00 0.00 N ATOM 9 CA HIS A 20 -11.043 -13.318 -7.445 1.00 0.00 C ATOM 10 C HIS A 20 -11.811 -13.277 -6.121 1.00 0.00 C ATOM 11 O HIS A 20 -12.386 -12.241 -5.784 1.00 0.00 O ATOM 12 CB HIS A 20 -12.050 -13.408 -8.608 1.00 0.00 C ATOM 13 CG HIS A 20 -12.403 -14.824 -9.017 1.00 0.00 C ATOM 14 ND1 HIS A 20 -13.167 -15.739 -8.324 1.00 0.00 N ATOM 15 CD2 HIS A 20 -11.838 -15.482 -10.072 1.00 0.00 C ATOM 16 CE1 HIS A 20 -13.060 -16.919 -8.965 1.00 0.00 C ATOM 17 NE2 HIS A 20 -12.229 -16.821 -10.020 1.00 0.00 N ATOM 0 H HIS A 20 -10.555 -15.266 -7.984 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.447 -12.407 -7.503 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -12.963 -12.886 -8.324 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -11.639 -12.884 -9.471 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -11.197 -15.041 -10.821 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -13.573 -17.823 -8.672 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -11.944 -17.570 -10.651 1.00 0.00 H new ATOM 25 N MET A 21 -11.889 -14.397 -5.397 1.00 0.00 N ATOM 26 CA MET A 21 -12.669 -14.475 -4.168 1.00 0.00 C ATOM 27 C MET A 21 -12.031 -13.588 -3.098 1.00 0.00 C ATOM 28 O MET A 21 -10.829 -13.711 -2.838 1.00 0.00 O ATOM 29 CB MET A 21 -12.785 -15.934 -3.693 1.00 0.00 C ATOM 30 CG MET A 21 -14.234 -16.423 -3.711 1.00 0.00 C ATOM 31 SD MET A 21 -15.316 -15.689 -2.450 1.00 0.00 S ATOM 32 CE MET A 21 -14.711 -16.588 -0.996 1.00 0.00 C ATOM 0 H MET A 21 -11.416 -15.266 -5.647 1.00 0.00 H new ATOM 0 HA MET A 21 -13.679 -14.113 -4.358 1.00 0.00 H new ATOM 0 HB2 MET A 21 -12.177 -16.574 -4.333 1.00 0.00 H new ATOM 0 HB3 MET A 21 -12.385 -16.020 -2.683 1.00 0.00 H new ATOM 0 HG2 MET A 21 -14.658 -16.217 -4.694 1.00 0.00 H new ATOM 0 HG3 MET A 21 -14.237 -17.505 -3.583 1.00 0.00 H new ATOM 0 HE1 MET A 21 -15.553 -17.041 -0.472 1.00 0.00 H new ATOM 0 HE2 MET A 21 -14.018 -17.368 -1.313 1.00 0.00 H new ATOM 0 HE3 MET A 21 -14.198 -15.896 -0.328 1.00 0.00 H new ATOM 42 N LYS A 22 -12.849 -12.766 -2.436 1.00 0.00 N ATOM 43 CA LYS A 22 -12.471 -11.815 -1.390 1.00 0.00 C ATOM 44 C LYS A 22 -11.507 -10.733 -1.900 1.00 0.00 C ATOM 45 O LYS A 22 -11.297 -10.574 -3.103 1.00 0.00 O ATOM 46 CB LYS A 22 -11.967 -12.578 -0.143 1.00 0.00 C ATOM 47 CG LYS A 22 -12.635 -12.071 1.142 1.00 0.00 C ATOM 48 CD LYS A 22 -12.072 -12.799 2.367 1.00 0.00 C ATOM 49 CE LYS A 22 -13.070 -12.810 3.527 1.00 0.00 C ATOM 50 NZ LYS A 22 -12.568 -13.603 4.668 1.00 0.00 N ATOM 0 H LYS A 22 -13.851 -12.746 -2.628 1.00 0.00 H new ATOM 0 HA LYS A 22 -13.356 -11.256 -1.084 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.168 -13.643 -0.262 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.886 -12.465 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.472 -10.998 1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.712 -12.226 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.817 -13.824 2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.149 -12.315 2.686 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.264 -11.787 3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.020 -13.222 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.269 -13.589 5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.407 -14.585 4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.674 -13.195 5.008 1.00 0.00 H new ATOM 64 N PHE A 23 -10.974 -9.935 -0.971 1.00 0.00 N ATOM 65 CA PHE A 23 -9.842 -9.055 -1.234 1.00 0.00 C ATOM 66 C PHE A 23 -8.635 -9.903 -1.655 1.00 0.00 C ATOM 67 O PHE A 23 -8.633 -11.125 -1.498 1.00 0.00 O ATOM 68 CB PHE A 23 -9.527 -8.223 0.026 1.00 0.00 C ATOM 69 CG PHE A 23 -10.368 -6.978 0.280 1.00 0.00 C ATOM 70 CD1 PHE A 23 -11.522 -6.678 -0.473 1.00 0.00 C ATOM 71 CD2 PHE A 23 -9.932 -6.060 1.256 1.00 0.00 C ATOM 72 CE1 PHE A 23 -12.191 -5.458 -0.283 1.00 0.00 C ATOM 73 CE2 PHE A 23 -10.604 -4.840 1.448 1.00 0.00 C ATOM 74 CZ PHE A 23 -11.723 -4.528 0.661 1.00 0.00 C ATOM 0 H PHE A 23 -11.320 -9.884 -0.013 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.082 -8.365 -2.043 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.625 -8.877 0.893 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.482 -7.917 -0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.892 -7.388 -1.198 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.071 -6.296 1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.071 -5.233 -0.867 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.260 -4.145 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.222 -3.578 0.780 1.00 0.00 H new ATOM 84 N THR A 24 -7.603 -9.249 -2.172 1.00 0.00 N ATOM 85 CA THR A 24 -6.341 -9.843 -2.581 1.00 0.00 C ATOM 86 C THR A 24 -5.240 -8.923 -2.050 1.00 0.00 C ATOM 87 O THR A 24 -5.525 -7.783 -1.662 1.00 0.00 O ATOM 88 CB THR A 24 -6.299 -10.006 -4.116 1.00 0.00 C ATOM 89 OG1 THR A 24 -6.222 -8.747 -4.742 1.00 0.00 O ATOM 90 CG2 THR A 24 -7.527 -10.729 -4.684 1.00 0.00 C ATOM 0 H THR A 24 -7.627 -8.241 -2.324 1.00 0.00 H new ATOM 0 HA THR A 24 -6.206 -10.846 -2.176 1.00 0.00 H new ATOM 0 HB THR A 24 -5.415 -10.610 -4.321 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.671 -8.786 -5.612 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.433 -10.810 -5.767 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.595 -11.727 -4.250 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.427 -10.165 -4.439 1.00 0.00 H new ATOM 98 N ASP A 25 -3.986 -9.379 -2.061 1.00 0.00 N ATOM 99 CA ASP A 25 -2.861 -8.620 -1.515 1.00 0.00 C ATOM 100 C ASP A 25 -2.749 -7.255 -2.199 1.00 0.00 C ATOM 101 O ASP A 25 -2.474 -6.256 -1.537 1.00 0.00 O ATOM 102 CB ASP A 25 -1.556 -9.406 -1.692 1.00 0.00 C ATOM 103 CG ASP A 25 -1.492 -10.650 -0.801 1.00 0.00 C ATOM 104 OD1 ASP A 25 -1.441 -10.520 0.440 1.00 0.00 O ATOM 105 OD2 ASP A 25 -1.484 -11.783 -1.336 1.00 0.00 O ATOM 0 H ASP A 25 -3.723 -10.285 -2.449 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.037 -8.461 -0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.455 -9.705 -2.735 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.711 -8.756 -1.464 1.00 0.00 H new ATOM 110 N GLN A 26 -3.032 -7.206 -3.505 1.00 0.00 N ATOM 111 CA GLN A 26 -3.020 -5.990 -4.320 1.00 0.00 C ATOM 112 C GLN A 26 -4.071 -4.990 -3.824 1.00 0.00 C ATOM 113 O GLN A 26 -3.766 -3.820 -3.596 1.00 0.00 O ATOM 114 CB GLN A 26 -3.270 -6.299 -5.807 1.00 0.00 C ATOM 115 CG GLN A 26 -2.568 -7.567 -6.317 1.00 0.00 C ATOM 116 CD GLN A 26 -3.444 -8.811 -6.201 1.00 0.00 C ATOM 117 OE1 GLN A 26 -3.215 -9.663 -5.342 1.00 0.00 O ATOM 118 NE2 GLN A 26 -4.515 -8.913 -6.984 1.00 0.00 N ATOM 0 H GLN A 26 -3.283 -8.038 -4.039 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.028 -5.550 -4.220 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.343 -6.402 -5.969 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.938 -5.449 -6.403 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.282 -7.425 -7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.649 -7.721 -5.752 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.698 -8.203 -7.693 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.153 -9.701 -6.875 1.00 0.00 H new ATOM 127 N GLN A 27 -5.310 -5.465 -3.630 1.00 0.00 N ATOM 128 CA GLN A 27 -6.457 -4.640 -3.244 1.00 0.00 C ATOM 129 C GLN A 27 -6.162 -3.935 -1.922 1.00 0.00 C ATOM 130 O GLN A 27 -6.528 -2.778 -1.709 1.00 0.00 O ATOM 131 CB GLN A 27 -7.738 -5.492 -3.106 1.00 0.00 C ATOM 132 CG GLN A 27 -8.055 -6.413 -4.301 1.00 0.00 C ATOM 133 CD GLN A 27 -9.223 -6.005 -5.184 1.00 0.00 C ATOM 134 OE1 GLN A 27 -10.320 -5.718 -4.711 1.00 0.00 O ATOM 135 NE2 GLN A 27 -9.027 -6.090 -6.487 1.00 0.00 N ATOM 0 H GLN A 27 -5.544 -6.452 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.623 -3.900 -4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.650 -6.106 -2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.584 -4.822 -2.952 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.164 -6.481 -4.925 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.252 -7.414 -3.917 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.104 -6.330 -6.849 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.798 -5.915 -7.131 1.00 0.00 H new ATOM 144 N ILE A 28 -5.520 -4.668 -1.021 1.00 0.00 N ATOM 145 CA ILE A 28 -5.203 -4.236 0.321 1.00 0.00 C ATOM 146 C ILE A 28 -4.083 -3.188 0.279 1.00 0.00 C ATOM 147 O ILE A 28 -4.122 -2.225 1.048 1.00 0.00 O ATOM 148 CB ILE A 28 -4.848 -5.496 1.133 1.00 0.00 C ATOM 149 CG1 ILE A 28 -6.076 -6.436 1.221 1.00 0.00 C ATOM 150 CG2 ILE A 28 -4.385 -5.087 2.531 1.00 0.00 C ATOM 151 CD1 ILE A 28 -5.747 -7.855 1.697 1.00 0.00 C ATOM 0 H ILE A 28 -5.196 -5.615 -1.219 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.044 -3.743 0.808 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.041 -6.033 0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.807 -5.997 1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.546 -6.494 0.239 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.134 -5.978 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.506 -4.447 2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.185 -4.544 3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.661 -8.448 1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.040 -8.316 1.007 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.306 -7.812 2.693 1.00 0.00 H new ATOM 163 N GLY A 29 -3.119 -3.339 -0.633 1.00 0.00 N ATOM 164 CA GLY A 29 -2.018 -2.406 -0.803 1.00 0.00 C ATOM 165 C GLY A 29 -2.488 -0.980 -1.082 1.00 0.00 C ATOM 166 O GLY A 29 -1.830 -0.028 -0.651 1.00 0.00 O ATOM 0 H GLY A 29 -3.087 -4.127 -1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.401 -2.411 0.096 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.386 -2.743 -1.625 1.00 0.00 H new ATOM 170 N VAL A 30 -3.608 -0.813 -1.790 1.00 0.00 N ATOM 171 CA VAL A 30 -4.207 0.490 -2.062 1.00 0.00 C ATOM 172 C VAL A 30 -4.675 1.114 -0.744 1.00 0.00 C ATOM 173 O VAL A 30 -4.219 2.195 -0.390 1.00 0.00 O ATOM 174 CB VAL A 30 -5.302 0.358 -3.140 1.00 0.00 C ATOM 175 CG1 VAL A 30 -5.938 1.703 -3.508 1.00 0.00 C ATOM 176 CG2 VAL A 30 -4.677 -0.225 -4.420 1.00 0.00 C ATOM 0 H VAL A 30 -4.129 -1.591 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.475 1.180 -2.483 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.077 -0.288 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.701 1.548 -4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.395 2.144 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.171 2.375 -3.893 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.444 -0.322 -5.188 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.890 0.439 -4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.254 -1.206 -4.204 1.00 0.00 H new ATOM 186 N LEU A 31 -5.521 0.418 0.020 1.00 0.00 N ATOM 187 CA LEU A 31 -6.046 0.893 1.304 1.00 0.00 C ATOM 188 C LEU A 31 -4.921 1.255 2.279 1.00 0.00 C ATOM 189 O LEU A 31 -5.006 2.275 2.960 1.00 0.00 O ATOM 190 CB LEU A 31 -6.976 -0.190 1.896 1.00 0.00 C ATOM 191 CG LEU A 31 -8.495 0.027 1.713 1.00 0.00 C ATOM 192 CD1 LEU A 31 -8.891 0.711 0.401 1.00 0.00 C ATOM 193 CD2 LEU A 31 -9.248 -1.312 1.779 1.00 0.00 C ATOM 0 H LEU A 31 -5.866 -0.506 -0.240 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.615 1.808 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.712 -1.148 1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.769 -0.270 2.963 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.771 0.692 2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.975 0.821 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.424 1.695 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.556 0.105 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.316 -1.136 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.889 -1.971 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.074 -1.780 2.748 1.00 0.00 H new ATOM 205 N ALA A 32 -3.874 0.436 2.346 1.00 0.00 N ATOM 206 CA ALA A 32 -2.655 0.661 3.094 1.00 0.00 C ATOM 207 C ALA A 32 -1.996 1.982 2.677 1.00 0.00 C ATOM 208 O ALA A 32 -1.708 2.814 3.538 1.00 0.00 O ATOM 209 CB ALA A 32 -1.738 -0.553 2.932 1.00 0.00 C ATOM 0 H ALA A 32 -3.860 -0.454 1.847 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.877 0.765 4.156 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.817 -0.391 3.493 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.242 -1.442 3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.501 -0.692 1.877 1.00 0.00 H new ATOM 215 N GLY A 33 -1.795 2.200 1.375 1.00 0.00 N ATOM 216 CA GLY A 33 -1.162 3.407 0.854 1.00 0.00 C ATOM 217 C GLY A 33 -2.034 4.645 1.018 1.00 0.00 C ATOM 218 O GLY A 33 -1.513 5.748 1.141 1.00 0.00 O ATOM 0 H GLY A 33 -2.070 1.537 0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.213 3.565 1.367 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.934 3.266 -0.202 1.00 0.00 H new ATOM 222 N LEU A 34 -3.358 4.512 1.091 1.00 0.00 N ATOM 223 CA LEU A 34 -4.195 5.681 1.327 1.00 0.00 C ATOM 224 C LEU A 34 -3.998 6.266 2.725 1.00 0.00 C ATOM 225 O LEU A 34 -4.286 7.441 2.947 1.00 0.00 O ATOM 226 CB LEU A 34 -5.671 5.385 1.073 1.00 0.00 C ATOM 227 CG LEU A 34 -6.020 5.211 -0.413 1.00 0.00 C ATOM 228 CD1 LEU A 34 -7.488 4.817 -0.574 1.00 0.00 C ATOM 229 CD2 LEU A 34 -5.741 6.519 -1.148 1.00 0.00 C ATOM 0 H LEU A 34 -3.861 3.630 0.993 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.872 6.433 0.608 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.948 4.478 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.271 6.196 1.485 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.406 4.416 -0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.719 4.698 -1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.671 3.876 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.122 5.595 -0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.987 6.403 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.350 7.314 -0.719 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.686 6.775 -1.047 1.00 0.00 H new ATOM 241 N ALA A 35 -3.470 5.486 3.667 1.00 0.00 N ATOM 242 CA ALA A 35 -3.044 6.010 4.956 1.00 0.00 C ATOM 243 C ALA A 35 -1.656 6.652 4.903 1.00 0.00 C ATOM 244 O ALA A 35 -1.290 7.347 5.848 1.00 0.00 O ATOM 245 CB ALA A 35 -3.035 4.868 5.970 1.00 0.00 C ATOM 0 H ALA A 35 -3.328 4.482 3.556 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.747 6.790 5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.717 5.247 6.942 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.037 4.448 6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.344 4.093 5.639 1.00 0.00 H new ATOM 251 N ILE A 36 -0.847 6.384 3.878 1.00 0.00 N ATOM 252 CA ILE A 36 0.593 6.536 3.901 1.00 0.00 C ATOM 253 C ILE A 36 0.997 7.040 2.523 1.00 0.00 C ATOM 254 O ILE A 36 1.142 6.261 1.588 1.00 0.00 O ATOM 255 CB ILE A 36 1.285 5.192 4.210 1.00 0.00 C ATOM 256 CG1 ILE A 36 0.837 4.443 5.486 1.00 0.00 C ATOM 257 CG2 ILE A 36 2.807 5.400 4.215 1.00 0.00 C ATOM 258 CD1 ILE A 36 1.060 5.139 6.828 1.00 0.00 C ATOM 0 H ILE A 36 -1.196 6.044 2.982 1.00 0.00 H new ATOM 0 HA ILE A 36 0.896 7.234 4.681 1.00 0.00 H new ATOM 0 HB ILE A 36 0.963 4.527 3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.227 4.226 5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.356 3.485 5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.303 4.454 4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.128 5.761 3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.072 6.132 4.978 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.699 4.500 7.634 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.124 5.331 6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.516 6.083 6.843 1.00 0.00 H new ATOM 270 N SER A 37 1.253 8.334 2.408 1.00 0.00 N ATOM 271 CA SER A 37 1.559 8.980 1.136 1.00 0.00 C ATOM 272 C SER A 37 0.461 8.751 0.075 1.00 0.00 C ATOM 273 O SER A 37 0.767 8.386 -1.059 1.00 0.00 O ATOM 274 CB SER A 37 2.959 8.537 0.698 1.00 0.00 C ATOM 275 OG SER A 37 3.910 8.897 1.688 1.00 0.00 O ATOM 0 H SER A 37 1.255 8.974 3.202 1.00 0.00 H new ATOM 0 HA SER A 37 1.568 10.063 1.261 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.976 7.459 0.540 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.217 9.003 -0.253 1.00 0.00 H new ATOM 0 HG SER A 37 4.803 8.610 1.404 1.00 0.00 H new ATOM 281 N PRO A 38 -0.808 9.082 0.386 1.00 0.00 N ATOM 282 CA PRO A 38 -1.919 8.954 -0.553 1.00 0.00 C ATOM 283 C PRO A 38 -1.704 9.841 -1.783 1.00 0.00 C ATOM 284 O PRO A 38 -2.029 9.439 -2.900 1.00 0.00 O ATOM 285 CB PRO A 38 -3.162 9.405 0.231 1.00 0.00 C ATOM 286 CG PRO A 38 -2.611 10.288 1.345 1.00 0.00 C ATOM 287 CD PRO A 38 -1.267 9.654 1.643 1.00 0.00 C ATOM 0 HA PRO A 38 -2.017 7.934 -0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.855 9.955 -0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.708 8.552 0.634 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.507 11.325 1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -3.261 10.288 2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.560 10.395 2.016 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -1.359 8.886 2.411 1.00 0.00 H new ATOM 295 N GLU A 39 -1.202 11.066 -1.594 1.00 0.00 N ATOM 296 CA GLU A 39 -1.158 12.060 -2.661 1.00 0.00 C ATOM 297 C GLU A 39 -0.213 11.601 -3.776 1.00 0.00 C ATOM 298 O GLU A 39 -0.618 11.562 -4.941 1.00 0.00 O ATOM 299 CB GLU A 39 -0.797 13.444 -2.102 1.00 0.00 C ATOM 300 CG GLU A 39 -1.785 13.880 -1.006 1.00 0.00 C ATOM 301 CD GLU A 39 -1.944 15.397 -0.928 1.00 0.00 C ATOM 302 OE1 GLU A 39 -0.950 16.110 -0.628 1.00 0.00 O ATOM 303 OE2 GLU A 39 -3.054 15.902 -1.187 1.00 0.00 O ATOM 0 H GLU A 39 -0.820 11.390 -0.706 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.149 12.156 -3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.214 13.422 -1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.800 14.176 -2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.757 13.426 -1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.442 13.504 -0.042 1.00 0.00 H new ATOM 310 N TRP A 40 0.990 11.154 -3.392 1.00 0.00 N ATOM 311 CA TRP A 40 1.983 10.486 -4.235 1.00 0.00 C ATOM 312 C TRP A 40 1.329 9.371 -5.045 1.00 0.00 C ATOM 313 O TRP A 40 1.568 9.243 -6.249 1.00 0.00 O ATOM 314 CB TRP A 40 3.100 9.931 -3.323 1.00 0.00 C ATOM 315 CG TRP A 40 4.009 8.867 -3.877 1.00 0.00 C ATOM 316 CD1 TRP A 40 5.055 9.084 -4.703 1.00 0.00 C ATOM 317 CD2 TRP A 40 3.995 7.419 -3.646 1.00 0.00 C ATOM 318 NE1 TRP A 40 5.669 7.888 -5.016 1.00 0.00 N ATOM 319 CE2 TRP A 40 5.069 6.826 -4.375 1.00 0.00 C ATOM 320 CE3 TRP A 40 3.189 6.541 -2.888 1.00 0.00 C ATOM 321 CZ2 TRP A 40 5.330 5.444 -4.346 1.00 0.00 C ATOM 322 CZ3 TRP A 40 3.437 5.156 -2.851 1.00 0.00 C ATOM 323 CH2 TRP A 40 4.506 4.603 -3.577 1.00 0.00 C ATOM 0 H TRP A 40 1.312 11.256 -2.430 1.00 0.00 H new ATOM 0 HA TRP A 40 2.412 11.194 -4.944 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.722 10.770 -3.010 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.629 9.531 -2.425 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.366 10.052 -5.066 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.468 7.801 -5.644 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.361 6.943 -2.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.155 5.033 -4.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 2.801 4.513 -2.260 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.693 3.540 -3.544 1.00 0.00 H new ATOM 334 N LEU A 41 0.501 8.557 -4.382 1.00 0.00 N ATOM 335 CA LEU A 41 0.043 7.296 -4.940 1.00 0.00 C ATOM 336 C LEU A 41 -0.862 7.610 -6.143 1.00 0.00 C ATOM 337 O LEU A 41 -0.669 7.041 -7.219 1.00 0.00 O ATOM 338 CB LEU A 41 -0.610 6.427 -3.836 1.00 0.00 C ATOM 339 CG LEU A 41 -2.134 6.196 -3.793 1.00 0.00 C ATOM 340 CD1 LEU A 41 -2.597 5.369 -5.010 1.00 0.00 C ATOM 341 CD2 LEU A 41 -2.417 5.394 -2.517 1.00 0.00 C ATOM 0 H LEU A 41 0.136 8.758 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 41 0.868 6.689 -5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.141 5.444 -3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.328 6.865 -2.879 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.662 7.149 -3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.675 5.218 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.348 5.902 -5.928 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.095 4.402 -5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.487 5.202 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.881 4.446 -2.557 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.085 5.963 -1.649 1.00 0.00 H new ATOM 353 N LYS A 42 -1.801 8.559 -5.997 1.00 0.00 N ATOM 354 CA LYS A 42 -2.686 8.973 -7.089 1.00 0.00 C ATOM 355 C LYS A 42 -1.900 9.588 -8.246 1.00 0.00 C ATOM 356 O LYS A 42 -2.265 9.302 -9.384 1.00 0.00 O ATOM 357 CB LYS A 42 -3.773 9.942 -6.588 1.00 0.00 C ATOM 358 CG LYS A 42 -4.918 9.218 -5.866 1.00 0.00 C ATOM 359 CD LYS A 42 -5.843 10.123 -5.025 1.00 0.00 C ATOM 360 CE LYS A 42 -6.911 10.934 -5.766 1.00 0.00 C ATOM 361 NZ LYS A 42 -6.414 12.178 -6.388 1.00 0.00 N ATOM 0 H LYS A 42 -1.965 9.056 -5.122 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.180 8.076 -7.464 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.323 10.669 -5.912 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.176 10.500 -7.433 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.523 8.698 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.491 8.457 -5.214 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.348 9.496 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.216 10.821 -4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.353 10.307 -6.540 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.708 11.186 -5.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.218 12.731 -6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.899 12.738 -5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.775 11.942 -7.174 1.00 0.00 H new ATOM 375 N GLN A 43 -0.833 10.371 -8.000 1.00 0.00 N ATOM 376 CA GLN A 43 -0.036 10.908 -9.106 1.00 0.00 C ATOM 377 C GLN A 43 0.519 9.747 -9.928 1.00 0.00 C ATOM 378 O GLN A 43 0.401 9.723 -11.152 1.00 0.00 O ATOM 379 CB GLN A 43 1.152 11.783 -8.654 1.00 0.00 C ATOM 380 CG GLN A 43 0.848 13.002 -7.772 1.00 0.00 C ATOM 381 CD GLN A 43 2.015 13.999 -7.686 1.00 0.00 C ATOM 382 OE1 GLN A 43 1.803 15.205 -7.598 1.00 0.00 O ATOM 383 NE2 GLN A 43 3.263 13.561 -7.693 1.00 0.00 N ATOM 0 H GLN A 43 -0.513 10.638 -7.069 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.706 11.544 -9.685 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.852 11.145 -8.114 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.667 12.136 -9.547 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.030 13.515 -8.164 1.00 0.00 H new ATOM 0 HG3 GLN A 43 0.596 12.661 -6.768 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.452 12.561 -7.766 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.036 14.223 -7.626 1.00 0.00 H new ATOM 392 N ASN A 44 1.105 8.768 -9.238 1.00 0.00 N ATOM 393 CA ASN A 44 1.816 7.676 -9.876 1.00 0.00 C ATOM 394 C ASN A 44 0.868 6.816 -10.702 1.00 0.00 C ATOM 395 O ASN A 44 1.235 6.443 -11.814 1.00 0.00 O ATOM 396 CB ASN A 44 2.589 6.860 -8.835 1.00 0.00 C ATOM 397 CG ASN A 44 3.928 7.515 -8.547 1.00 0.00 C ATOM 398 OD1 ASN A 44 4.931 7.095 -9.101 1.00 0.00 O ATOM 399 ND2 ASN A 44 3.965 8.548 -7.725 1.00 0.00 N ATOM 0 H ASN A 44 1.096 8.716 -8.219 1.00 0.00 H new ATOM 0 HA ASN A 44 2.547 8.090 -10.570 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.007 6.784 -7.916 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.743 5.844 -9.199 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.850 9.019 -7.538 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.109 8.875 -7.278 1.00 0.00 H new ATOM 406 N ILE A 45 -0.346 6.524 -10.214 1.00 0.00 N ATOM 407 CA ILE A 45 -1.356 5.825 -11.008 1.00 0.00 C ATOM 408 C ILE A 45 -1.767 6.668 -12.217 1.00 0.00 C ATOM 409 O ILE A 45 -1.838 6.132 -13.325 1.00 0.00 O ATOM 410 CB ILE A 45 -2.572 5.419 -10.140 1.00 0.00 C ATOM 411 CG1 ILE A 45 -2.192 4.382 -9.060 1.00 0.00 C ATOM 412 CG2 ILE A 45 -3.715 4.877 -11.021 1.00 0.00 C ATOM 413 CD1 ILE A 45 -1.844 2.992 -9.609 1.00 0.00 C ATOM 0 H ILE A 45 -0.649 6.764 -9.270 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.918 4.901 -11.386 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.915 6.318 -9.628 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.340 4.760 -8.495 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.021 4.285 -8.359 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.559 4.598 -10.391 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.028 5.647 -11.726 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.367 4.002 -11.570 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.590 2.328 -8.783 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.701 2.589 -10.148 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.994 3.071 -10.286 1.00 0.00 H new ATOM 425 N ALA A 46 -2.007 7.972 -12.038 1.00 0.00 N ATOM 426 CA ALA A 46 -2.403 8.864 -13.123 1.00 0.00 C ATOM 427 C ALA A 46 -1.322 9.013 -14.203 1.00 0.00 C ATOM 428 O ALA A 46 -1.599 9.571 -15.262 1.00 0.00 O ATOM 429 CB ALA A 46 -2.786 10.227 -12.547 1.00 0.00 C ATOM 0 H ALA A 46 -1.931 8.435 -11.132 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.264 8.415 -13.618 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.082 10.894 -13.357 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.618 10.108 -11.853 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.932 10.652 -12.020 1.00 0.00 H new ATOM 435 N ALA A 47 -0.108 8.534 -13.943 1.00 0.00 N ATOM 436 CA ALA A 47 0.996 8.485 -14.888 1.00 0.00 C ATOM 437 C ALA A 47 1.426 7.044 -15.196 1.00 0.00 C ATOM 438 O ALA A 47 2.431 6.841 -15.880 1.00 0.00 O ATOM 439 CB ALA A 47 2.113 9.405 -14.371 1.00 0.00 C ATOM 0 H ALA A 47 0.140 8.155 -13.029 1.00 0.00 H new ATOM 0 HA ALA A 47 0.689 8.865 -15.862 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.953 9.384 -15.066 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.736 10.424 -14.289 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.444 9.060 -13.391 1.00 0.00 H new ATOM 445 N ASN A 48 0.670 6.047 -14.712 1.00 0.00 N ATOM 446 CA ASN A 48 0.908 4.605 -14.796 1.00 0.00 C ATOM 447 C ASN A 48 2.354 4.214 -14.447 1.00 0.00 C ATOM 448 O ASN A 48 2.929 3.303 -15.028 1.00 0.00 O ATOM 449 CB ASN A 48 0.417 4.064 -16.150 1.00 0.00 C ATOM 450 CG ASN A 48 0.395 2.539 -16.233 1.00 0.00 C ATOM 451 OD1 ASN A 48 0.834 1.957 -17.219 1.00 0.00 O ATOM 452 ND2 ASN A 48 -0.165 1.832 -15.268 1.00 0.00 N ATOM 0 H ASN A 48 -0.195 6.250 -14.211 1.00 0.00 H new ATOM 0 HA ASN A 48 0.314 4.114 -14.025 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.587 4.443 -16.340 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.059 4.452 -16.940 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.227 0.817 -15.350 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.535 2.301 -14.441 1.00 0.00 H new ATOM 459 N GLN A 49 2.967 4.937 -13.510 1.00 0.00 N ATOM 460 CA GLN A 49 4.357 4.769 -13.072 1.00 0.00 C ATOM 461 C GLN A 49 4.550 3.658 -12.033 1.00 0.00 C ATOM 462 O GLN A 49 5.686 3.328 -11.697 1.00 0.00 O ATOM 463 CB GLN A 49 4.834 6.074 -12.406 1.00 0.00 C ATOM 464 CG GLN A 49 4.703 7.319 -13.283 1.00 0.00 C ATOM 465 CD GLN A 49 5.632 7.264 -14.487 1.00 0.00 C ATOM 466 OE1 GLN A 49 6.765 7.738 -14.435 1.00 0.00 O ATOM 467 NE2 GLN A 49 5.197 6.686 -15.586 1.00 0.00 N ATOM 0 H GLN A 49 2.490 5.689 -13.013 1.00 0.00 H new ATOM 0 HA GLN A 49 4.922 4.508 -13.967 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.264 6.229 -11.490 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.878 5.958 -12.116 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.672 7.416 -13.624 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.928 8.206 -12.691 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.255 6.296 -15.619 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.802 6.628 -16.405 1.00 0.00 H new ATOM 476 N LEU A 50 3.473 3.158 -11.433 1.00 0.00 N ATOM 477 CA LEU A 50 3.517 2.500 -10.132 1.00 0.00 C ATOM 478 C LEU A 50 3.666 0.995 -10.308 1.00 0.00 C ATOM 479 O LEU A 50 2.802 0.374 -10.937 1.00 0.00 O ATOM 480 CB LEU A 50 2.238 2.818 -9.340 1.00 0.00 C ATOM 481 CG LEU A 50 2.375 2.460 -7.850 1.00 0.00 C ATOM 482 CD1 LEU A 50 3.181 3.507 -7.068 1.00 0.00 C ATOM 483 CD2 LEU A 50 0.980 2.364 -7.235 1.00 0.00 C ATOM 0 H LEU A 50 2.539 3.199 -11.840 1.00 0.00 H new ATOM 0 HA LEU A 50 4.378 2.872 -9.577 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.006 3.879 -9.438 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.400 2.268 -9.769 1.00 0.00 H new ATOM 0 HG LEU A 50 2.907 1.511 -7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.248 3.207 -6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.184 3.583 -7.489 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.684 4.475 -7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.065 2.111 -6.178 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.470 3.322 -7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.408 1.591 -7.749 1.00 0.00 H new ATOM 495 N VAL A 51 4.706 0.413 -9.711 1.00 0.00 N ATOM 496 CA VAL A 51 4.934 -1.025 -9.666 1.00 0.00 C ATOM 497 C VAL A 51 4.577 -1.523 -8.257 1.00 0.00 C ATOM 498 O VAL A 51 4.837 -0.873 -7.240 1.00 0.00 O ATOM 499 CB VAL A 51 6.377 -1.354 -10.121 1.00 0.00 C ATOM 500 CG1 VAL A 51 6.759 -2.831 -9.928 1.00 0.00 C ATOM 501 CG2 VAL A 51 6.565 -1.043 -11.619 1.00 0.00 C ATOM 0 H VAL A 51 5.432 0.947 -9.233 1.00 0.00 H new ATOM 0 HA VAL A 51 4.291 -1.558 -10.367 1.00 0.00 H new ATOM 0 HB VAL A 51 7.016 -0.733 -9.493 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.783 -2.989 -10.268 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.682 -3.092 -8.872 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.083 -3.460 -10.507 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.586 -1.282 -11.915 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.868 -1.642 -12.205 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.374 0.015 -11.798 1.00 0.00 H new ATOM 511 N TYR A 52 3.953 -2.695 -8.220 1.00 0.00 N ATOM 512 CA TYR A 52 3.667 -3.544 -7.080 1.00 0.00 C ATOM 513 C TYR A 52 4.587 -4.759 -7.191 1.00 0.00 C ATOM 514 O TYR A 52 4.920 -5.183 -8.299 1.00 0.00 O ATOM 515 CB TYR A 52 2.190 -3.967 -7.177 1.00 0.00 C ATOM 516 CG TYR A 52 1.758 -5.093 -6.256 1.00 0.00 C ATOM 517 CD1 TYR A 52 1.705 -4.891 -4.867 1.00 0.00 C ATOM 518 CD2 TYR A 52 1.424 -6.353 -6.795 1.00 0.00 C ATOM 519 CE1 TYR A 52 1.352 -5.956 -4.021 1.00 0.00 C ATOM 520 CE2 TYR A 52 1.127 -7.436 -5.948 1.00 0.00 C ATOM 521 CZ TYR A 52 1.113 -7.242 -4.549 1.00 0.00 C ATOM 522 OH TYR A 52 0.873 -8.286 -3.711 1.00 0.00 O ATOM 0 H TYR A 52 3.600 -3.113 -9.081 1.00 0.00 H new ATOM 0 HA TYR A 52 3.833 -3.043 -6.126 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.569 -3.096 -6.969 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.985 -4.266 -8.205 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.935 -3.921 -4.451 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.396 -6.487 -7.866 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.263 -5.789 -2.958 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.911 -8.409 -6.364 1.00 0.00 H new ATOM 0 HH TYR A 52 0.728 -9.100 -4.236 1.00 0.00 H new ATOM 532 N GLY A 53 4.959 -5.372 -6.072 1.00 0.00 N ATOM 533 CA GLY A 53 5.751 -6.588 -6.098 1.00 0.00 C ATOM 534 C GLY A 53 5.749 -7.286 -4.752 1.00 0.00 C ATOM 535 O GLY A 53 5.238 -6.746 -3.772 1.00 0.00 O ATOM 0 H GLY A 53 4.722 -5.043 -5.136 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.358 -7.263 -6.859 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.776 -6.349 -6.383 1.00 0.00 H new ATOM 539 N ILE A 54 6.345 -8.475 -4.714 1.00 0.00 N ATOM 540 CA ILE A 54 6.757 -9.162 -3.498 1.00 0.00 C ATOM 541 C ILE A 54 8.276 -9.075 -3.469 1.00 0.00 C ATOM 542 O ILE A 54 8.919 -9.189 -4.514 1.00 0.00 O ATOM 543 CB ILE A 54 6.307 -10.637 -3.526 1.00 0.00 C ATOM 544 CG1 ILE A 54 4.797 -10.806 -3.779 1.00 0.00 C ATOM 545 CG2 ILE A 54 6.739 -11.408 -2.266 1.00 0.00 C ATOM 546 CD1 ILE A 54 3.884 -10.256 -2.686 1.00 0.00 C ATOM 0 H ILE A 54 6.561 -9.003 -5.560 1.00 0.00 H new ATOM 0 HA ILE A 54 6.308 -8.709 -2.614 1.00 0.00 H new ATOM 0 HB ILE A 54 6.824 -11.076 -4.379 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.546 -10.315 -4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.584 -11.867 -3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.397 -12.441 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.826 -11.390 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.300 -10.940 -1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.843 -10.426 -2.962 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.097 -10.763 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.059 -9.186 -2.570 1.00 0.00 H new ATOM 558 N VAL A 55 8.827 -8.914 -2.272 1.00 0.00 N ATOM 559 CA VAL A 55 10.250 -8.793 -2.002 1.00 0.00 C ATOM 560 C VAL A 55 11.103 -9.871 -2.689 1.00 0.00 C ATOM 561 O VAL A 55 11.971 -9.519 -3.491 1.00 0.00 O ATOM 562 CB VAL A 55 10.410 -8.742 -0.473 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.847 -8.990 -0.028 1.00 0.00 C ATOM 564 CG2 VAL A 55 9.944 -7.372 0.042 1.00 0.00 C ATOM 0 H VAL A 55 8.264 -8.862 -1.423 1.00 0.00 H new ATOM 0 HA VAL A 55 10.641 -7.876 -2.443 1.00 0.00 H new ATOM 0 HB VAL A 55 9.797 -9.539 -0.053 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.904 -8.943 1.059 1.00 0.00 H new ATOM 0 HG12 VAL A 55 12.168 -9.975 -0.366 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.498 -8.229 -0.459 1.00 0.00 H new ATOM 0 HG21 VAL A 55 10.056 -7.333 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.548 -6.587 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.897 -7.222 -0.220 1.00 0.00 H new ATOM 574 N LYS A 56 10.873 -11.156 -2.375 1.00 0.00 N ATOM 575 CA LYS A 56 11.705 -12.294 -2.761 1.00 0.00 C ATOM 576 C LYS A 56 13.144 -12.205 -2.223 1.00 0.00 C ATOM 577 O LYS A 56 13.562 -11.181 -1.687 1.00 0.00 O ATOM 578 CB LYS A 56 11.618 -12.492 -4.281 1.00 0.00 C ATOM 579 CG LYS A 56 10.205 -12.918 -4.707 1.00 0.00 C ATOM 580 CD LYS A 56 10.322 -13.877 -5.884 1.00 0.00 C ATOM 581 CE LYS A 56 8.957 -14.195 -6.486 1.00 0.00 C ATOM 582 NZ LYS A 56 9.066 -15.085 -7.661 1.00 0.00 N ATOM 0 H LYS A 56 10.064 -11.437 -1.820 1.00 0.00 H new ATOM 0 HA LYS A 56 11.313 -13.192 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.889 -11.565 -4.787 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.338 -13.248 -4.593 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.688 -13.399 -3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.615 -12.045 -4.987 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.964 -13.440 -6.648 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.800 -14.800 -5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.328 -14.666 -5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.464 -13.268 -6.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.117 -15.277 -8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.645 -14.625 -8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.513 -15.980 -7.378 1.00 0.00 H new ATOM 596 N PRO A 57 13.917 -13.304 -2.260 1.00 0.00 N ATOM 597 CA PRO A 57 15.346 -13.262 -1.945 1.00 0.00 C ATOM 598 C PRO A 57 16.174 -12.588 -3.053 1.00 0.00 C ATOM 599 O PRO A 57 17.371 -12.364 -2.872 1.00 0.00 O ATOM 600 CB PRO A 57 15.746 -14.722 -1.717 1.00 0.00 C ATOM 601 CG PRO A 57 14.760 -15.503 -2.579 1.00 0.00 C ATOM 602 CD PRO A 57 13.484 -14.674 -2.492 1.00 0.00 C ATOM 0 HA PRO A 57 15.544 -12.652 -1.064 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.777 -14.907 -2.019 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.667 -15.000 -0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.110 -15.595 -3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.609 -16.514 -2.201 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.904 -14.751 -3.412 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.844 -15.025 -1.682 1.00 0.00 H new ATOM 610 N SER A 58 15.565 -12.268 -4.199 1.00 0.00 N ATOM 611 CA SER A 58 16.249 -11.670 -5.333 1.00 0.00 C ATOM 612 C SER A 58 16.674 -10.225 -5.063 1.00 0.00 C ATOM 613 O SER A 58 17.689 -9.791 -5.611 1.00 0.00 O ATOM 614 CB SER A 58 15.309 -11.689 -6.544 1.00 0.00 C ATOM 615 OG SER A 58 14.690 -12.957 -6.722 1.00 0.00 O ATOM 0 H SER A 58 14.570 -12.422 -4.360 1.00 0.00 H new ATOM 0 HA SER A 58 17.151 -12.252 -5.520 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.541 -10.926 -6.418 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.870 -11.431 -7.442 1.00 0.00 H new ATOM 0 HG SER A 58 14.098 -12.926 -7.503 1.00 0.00 H new ATOM 621 N ASP A 59 15.889 -9.448 -4.306 1.00 0.00 N ATOM 622 CA ASP A 59 15.995 -7.988 -4.356 1.00 0.00 C ATOM 623 C ASP A 59 16.653 -7.415 -3.103 1.00 0.00 C ATOM 624 O ASP A 59 16.853 -8.107 -2.101 1.00 0.00 O ATOM 625 CB ASP A 59 14.627 -7.337 -4.639 1.00 0.00 C ATOM 626 CG ASP A 59 14.756 -5.949 -5.288 1.00 0.00 C ATOM 627 OD1 ASP A 59 15.869 -5.546 -5.706 1.00 0.00 O ATOM 628 OD2 ASP A 59 13.748 -5.226 -5.418 1.00 0.00 O ATOM 0 H ASP A 59 15.183 -9.802 -3.660 1.00 0.00 H new ATOM 0 HA ASP A 59 16.652 -7.741 -5.190 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.048 -7.988 -5.294 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.071 -7.247 -3.706 1.00 0.00 H new ATOM 633 N THR A 60 17.024 -6.138 -3.162 1.00 0.00 N ATOM 634 CA THR A 60 17.810 -5.471 -2.139 1.00 0.00 C ATOM 635 C THR A 60 16.876 -4.870 -1.086 1.00 0.00 C ATOM 636 O THR A 60 16.214 -3.855 -1.341 1.00 0.00 O ATOM 637 CB THR A 60 18.737 -4.436 -2.791 1.00 0.00 C ATOM 638 OG1 THR A 60 19.435 -5.022 -3.871 1.00 0.00 O ATOM 639 CG2 THR A 60 19.769 -3.933 -1.784 1.00 0.00 C ATOM 0 H THR A 60 16.778 -5.529 -3.942 1.00 0.00 H new ATOM 0 HA THR A 60 18.452 -6.184 -1.622 1.00 0.00 H new ATOM 0 HB THR A 60 18.120 -3.608 -3.140 1.00 0.00 H new ATOM 0 HG1 THR A 60 20.023 -4.354 -4.282 1.00 0.00 H new ATOM 0 HG21 THR A 60 20.418 -3.200 -2.263 1.00 0.00 H new ATOM 0 HG22 THR A 60 19.258 -3.469 -0.940 1.00 0.00 H new ATOM 0 HG23 THR A 60 20.369 -4.771 -1.428 1.00 0.00 H new ATOM 647 N VAL A 61 16.771 -5.507 0.081 1.00 0.00 N ATOM 648 CA VAL A 61 15.703 -5.256 1.046 1.00 0.00 C ATOM 649 C VAL A 61 16.222 -5.273 2.493 1.00 0.00 C ATOM 650 O VAL A 61 17.253 -5.893 2.771 1.00 0.00 O ATOM 651 CB VAL A 61 14.556 -6.263 0.804 1.00 0.00 C ATOM 652 CG1 VAL A 61 13.908 -6.040 -0.574 1.00 0.00 C ATOM 653 CG2 VAL A 61 15.042 -7.714 0.947 1.00 0.00 C ATOM 0 H VAL A 61 17.434 -6.220 0.385 1.00 0.00 H new ATOM 0 HA VAL A 61 15.310 -4.250 0.896 1.00 0.00 H new ATOM 0 HB VAL A 61 13.800 -6.088 1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.104 -6.762 -0.719 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.503 -5.030 -0.626 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.658 -6.171 -1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.210 -8.396 0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 61 15.830 -7.907 0.219 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.431 -7.870 1.953 1.00 0.00 H new ATOM 663 N PRO A 62 15.527 -4.615 3.438 1.00 0.00 N ATOM 664 CA PRO A 62 15.845 -4.710 4.857 1.00 0.00 C ATOM 665 C PRO A 62 15.449 -6.094 5.397 1.00 0.00 C ATOM 666 O PRO A 62 14.953 -6.953 4.664 1.00 0.00 O ATOM 667 CB PRO A 62 15.080 -3.554 5.511 1.00 0.00 C ATOM 668 CG PRO A 62 13.856 -3.392 4.618 1.00 0.00 C ATOM 669 CD PRO A 62 14.359 -3.769 3.230 1.00 0.00 C ATOM 0 HA PRO A 62 16.910 -4.622 5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 62 14.800 -3.787 6.538 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.678 -2.643 5.543 1.00 0.00 H new ATOM 0 HG2 PRO A 62 13.041 -4.041 4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.477 -2.370 4.641 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.590 -4.298 2.668 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.619 -2.880 2.655 1.00 0.00 H new ATOM 677 N ALA A 63 15.696 -6.331 6.684 1.00 0.00 N ATOM 678 CA ALA A 63 15.258 -7.530 7.384 1.00 0.00 C ATOM 679 C ALA A 63 13.759 -7.447 7.690 1.00 0.00 C ATOM 680 O ALA A 63 13.184 -6.355 7.738 1.00 0.00 O ATOM 681 CB ALA A 63 16.048 -7.667 8.686 1.00 0.00 C ATOM 0 H ALA A 63 16.215 -5.683 7.276 1.00 0.00 H new ATOM 0 HA ALA A 63 15.436 -8.401 6.754 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.725 -8.563 9.215 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.112 -7.743 8.460 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.872 -6.792 9.312 1.00 0.00 H new ATOM 687 N GLY A 64 13.147 -8.593 8.000 1.00 0.00 N ATOM 688 CA GLY A 64 11.777 -8.653 8.484 1.00 0.00 C ATOM 689 C GLY A 64 10.735 -8.515 7.374 1.00 0.00 C ATOM 690 O GLY A 64 9.553 -8.322 7.684 1.00 0.00 O ATOM 0 H GLY A 64 13.595 -9.506 7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.623 -9.600 9.001 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.623 -7.861 9.217 1.00 0.00 H new ATOM 694 N VAL A 65 11.119 -8.632 6.103 1.00 0.00 N ATOM 695 CA VAL A 65 10.249 -8.537 4.942 1.00 0.00 C ATOM 696 C VAL A 65 10.769 -9.486 3.849 1.00 0.00 C ATOM 697 O VAL A 65 11.348 -9.043 2.876 1.00 0.00 O ATOM 698 CB VAL A 65 10.126 -7.059 4.466 1.00 0.00 C ATOM 699 CG1 VAL A 65 9.290 -6.208 5.437 1.00 0.00 C ATOM 700 CG2 VAL A 65 11.453 -6.303 4.268 1.00 0.00 C ATOM 0 H VAL A 65 12.092 -8.804 5.848 1.00 0.00 H new ATOM 0 HA VAL A 65 9.237 -8.851 5.199 1.00 0.00 H new ATOM 0 HB VAL A 65 9.648 -7.174 3.493 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.231 -5.185 5.066 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.286 -6.625 5.514 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.760 -6.210 6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.246 -5.286 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.999 -6.273 5.211 1.00 0.00 H new ATOM 0 HG23 VAL A 65 12.054 -6.814 3.516 1.00 0.00 H new ATOM 710 N ASP A 66 10.578 -10.805 3.970 1.00 0.00 N ATOM 711 CA ASP A 66 10.936 -11.753 2.888 1.00 0.00 C ATOM 712 C ASP A 66 9.800 -11.992 1.899 1.00 0.00 C ATOM 713 O ASP A 66 9.981 -12.535 0.807 1.00 0.00 O ATOM 714 CB ASP A 66 11.372 -13.104 3.449 1.00 0.00 C ATOM 715 CG ASP A 66 12.716 -13.116 4.160 1.00 0.00 C ATOM 716 OD1 ASP A 66 12.950 -12.264 5.043 1.00 0.00 O ATOM 717 OD2 ASP A 66 13.492 -14.073 3.944 1.00 0.00 O ATOM 0 H ASP A 66 10.180 -11.246 4.799 1.00 0.00 H new ATOM 0 HA ASP A 66 11.762 -11.279 2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.609 -13.451 4.146 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.407 -13.823 2.631 1.00 0.00 H new ATOM 722 N ASP A 67 8.617 -11.591 2.320 1.00 0.00 N ATOM 723 CA ASP A 67 7.336 -12.017 1.775 1.00 0.00 C ATOM 724 C ASP A 67 6.282 -10.923 1.939 1.00 0.00 C ATOM 725 O ASP A 67 5.100 -11.119 1.642 1.00 0.00 O ATOM 726 CB ASP A 67 6.894 -13.314 2.474 1.00 0.00 C ATOM 727 CG ASP A 67 6.468 -13.102 3.930 1.00 0.00 C ATOM 728 OD1 ASP A 67 7.319 -12.637 4.728 1.00 0.00 O ATOM 729 OD2 ASP A 67 5.312 -13.425 4.288 1.00 0.00 O ATOM 0 H ASP A 67 8.514 -10.928 3.088 1.00 0.00 H new ATOM 0 HA ASP A 67 7.447 -12.206 0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.064 -13.753 1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.713 -14.033 2.443 1.00 0.00 H new ATOM 734 N TYR A 68 6.696 -9.750 2.421 1.00 0.00 N ATOM 735 CA TYR A 68 5.859 -8.571 2.374 1.00 0.00 C ATOM 736 C TYR A 68 5.750 -8.161 0.908 1.00 0.00 C ATOM 737 O TYR A 68 6.705 -8.286 0.131 1.00 0.00 O ATOM 738 CB TYR A 68 6.420 -7.459 3.268 1.00 0.00 C ATOM 739 CG TYR A 68 6.055 -7.593 4.743 1.00 0.00 C ATOM 740 CD1 TYR A 68 6.258 -8.799 5.449 1.00 0.00 C ATOM 741 CD2 TYR A 68 5.425 -6.519 5.403 1.00 0.00 C ATOM 742 CE1 TYR A 68 5.816 -8.935 6.775 1.00 0.00 C ATOM 743 CE2 TYR A 68 4.948 -6.670 6.718 1.00 0.00 C ATOM 744 CZ TYR A 68 5.129 -7.884 7.412 1.00 0.00 C ATOM 745 OH TYR A 68 4.650 -8.019 8.679 1.00 0.00 O ATOM 0 H TYR A 68 7.610 -9.601 2.848 1.00 0.00 H new ATOM 0 HA TYR A 68 4.863 -8.775 2.767 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.506 -7.447 3.174 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.058 -6.498 2.902 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.758 -9.625 4.965 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.307 -5.573 4.896 1.00 0.00 H new ATOM 0 HE1 TYR A 68 6.005 -9.854 7.311 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.439 -5.849 7.200 1.00 0.00 H new ATOM 0 HH TYR A 68 5.220 -8.640 9.180 1.00 0.00 H new ATOM 755 N SER A 69 4.579 -7.663 0.540 1.00 0.00 N ATOM 756 CA SER A 69 4.378 -6.917 -0.670 1.00 0.00 C ATOM 757 C SER A 69 5.045 -5.546 -0.536 1.00 0.00 C ATOM 758 O SER A 69 5.308 -5.091 0.581 1.00 0.00 O ATOM 759 CB SER A 69 2.870 -6.755 -0.821 1.00 0.00 C ATOM 760 OG SER A 69 2.224 -7.969 -1.177 1.00 0.00 O ATOM 0 H SER A 69 3.730 -7.775 1.094 1.00 0.00 H new ATOM 0 HA SER A 69 4.809 -7.420 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.452 -6.386 0.116 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.663 -6.001 -1.581 1.00 0.00 H new ATOM 0 HG SER A 69 1.830 -7.880 -2.070 1.00 0.00 H new ATOM 766 N TYR A 70 5.261 -4.855 -1.657 1.00 0.00 N ATOM 767 CA TYR A 70 5.678 -3.461 -1.686 1.00 0.00 C ATOM 768 C TYR A 70 5.004 -2.707 -2.837 1.00 0.00 C ATOM 769 O TYR A 70 4.411 -3.318 -3.729 1.00 0.00 O ATOM 770 CB TYR A 70 7.211 -3.355 -1.750 1.00 0.00 C ATOM 771 CG TYR A 70 7.827 -3.862 -3.044 1.00 0.00 C ATOM 772 CD1 TYR A 70 7.974 -2.992 -4.143 1.00 0.00 C ATOM 773 CD2 TYR A 70 8.252 -5.200 -3.155 1.00 0.00 C ATOM 774 CE1 TYR A 70 8.519 -3.458 -5.352 1.00 0.00 C ATOM 775 CE2 TYR A 70 8.815 -5.664 -4.359 1.00 0.00 C ATOM 776 CZ TYR A 70 8.941 -4.800 -5.467 1.00 0.00 C ATOM 777 OH TYR A 70 9.467 -5.260 -6.638 1.00 0.00 O ATOM 0 H TYR A 70 5.147 -5.261 -2.586 1.00 0.00 H new ATOM 0 HA TYR A 70 5.354 -2.986 -0.760 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.496 -2.312 -1.611 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.636 -3.915 -0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.666 -1.961 -4.056 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.146 -5.871 -2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.615 -2.788 -6.194 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.152 -6.687 -4.435 1.00 0.00 H new ATOM 0 HH TYR A 70 9.705 -6.206 -6.540 1.00 0.00 H new ATOM 787 N LEU A 71 5.094 -1.374 -2.806 1.00 0.00 N ATOM 788 CA LEU A 71 4.615 -0.429 -3.814 1.00 0.00 C ATOM 789 C LEU A 71 5.635 0.697 -3.909 1.00 0.00 C ATOM 790 O LEU A 71 6.059 1.215 -2.872 1.00 0.00 O ATOM 791 CB LEU A 71 3.280 0.196 -3.388 1.00 0.00 C ATOM 792 CG LEU A 71 2.086 -0.763 -3.495 1.00 0.00 C ATOM 793 CD1 LEU A 71 0.993 -0.284 -2.534 1.00 0.00 C ATOM 794 CD2 LEU A 71 1.574 -0.871 -4.934 1.00 0.00 C ATOM 0 H LEU A 71 5.535 -0.896 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 71 4.482 -0.953 -4.760 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.364 0.543 -2.358 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.086 1.073 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 71 2.399 -1.768 -3.213 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.135 -0.954 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.380 -0.283 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.686 0.726 -2.807 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.729 -1.559 -4.969 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.257 0.112 -5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.372 -1.243 -5.577 1.00 0.00 H new ATOM 806 N VAL A 72 5.997 1.087 -5.125 1.00 0.00 N ATOM 807 CA VAL A 72 7.080 2.013 -5.442 1.00 0.00 C ATOM 808 C VAL A 72 6.818 2.526 -6.870 1.00 0.00 C ATOM 809 O VAL A 72 6.114 1.862 -7.639 1.00 0.00 O ATOM 810 CB VAL A 72 8.404 1.222 -5.284 1.00 0.00 C ATOM 811 CG1 VAL A 72 8.480 0.020 -6.236 1.00 0.00 C ATOM 812 CG2 VAL A 72 9.692 2.042 -5.406 1.00 0.00 C ATOM 0 H VAL A 72 5.519 0.749 -5.960 1.00 0.00 H new ATOM 0 HA VAL A 72 7.142 2.884 -4.789 1.00 0.00 H new ATOM 0 HB VAL A 72 8.357 0.883 -4.249 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.425 -0.502 -6.088 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.654 -0.660 -6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.415 0.368 -7.267 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.554 1.387 -5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.734 2.510 -6.390 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.706 2.814 -4.636 1.00 0.00 H new ATOM 822 N ALA A 73 7.356 3.683 -7.257 1.00 0.00 N ATOM 823 CA ALA A 73 7.353 4.073 -8.663 1.00 0.00 C ATOM 824 C ALA A 73 8.440 3.293 -9.398 1.00 0.00 C ATOM 825 O ALA A 73 9.444 2.889 -8.807 1.00 0.00 O ATOM 826 CB ALA A 73 7.606 5.573 -8.816 1.00 0.00 C ATOM 0 H ALA A 73 7.792 4.356 -6.626 1.00 0.00 H new ATOM 0 HA ALA A 73 6.375 3.847 -9.088 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.599 5.837 -9.873 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.824 6.129 -8.298 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.576 5.824 -8.386 1.00 0.00 H new ATOM 832 N ALA A 74 8.296 3.158 -10.711 1.00 0.00 N ATOM 833 CA ALA A 74 9.329 2.635 -11.587 1.00 0.00 C ATOM 834 C ALA A 74 10.512 3.591 -11.744 1.00 0.00 C ATOM 835 O ALA A 74 11.528 3.171 -12.294 1.00 0.00 O ATOM 836 CB ALA A 74 8.720 2.360 -12.960 1.00 0.00 C ATOM 0 H ALA A 74 7.440 3.415 -11.203 1.00 0.00 H new ATOM 0 HA ALA A 74 9.711 1.720 -11.134 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.488 1.967 -13.626 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.916 1.631 -12.862 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.321 3.286 -13.373 1.00 0.00 H new ATOM 842 N ASP A 75 10.383 4.839 -11.286 1.00 0.00 N ATOM 843 CA ASP A 75 11.335 5.932 -11.506 1.00 0.00 C ATOM 844 C ASP A 75 11.565 6.731 -10.207 1.00 0.00 C ATOM 845 O ASP A 75 11.953 7.895 -10.244 1.00 0.00 O ATOM 846 CB ASP A 75 10.865 6.850 -12.665 1.00 0.00 C ATOM 847 CG ASP A 75 11.226 6.349 -14.060 1.00 0.00 C ATOM 848 OD1 ASP A 75 10.594 5.378 -14.524 1.00 0.00 O ATOM 849 OD2 ASP A 75 12.072 6.972 -14.749 1.00 0.00 O ATOM 0 H ASP A 75 9.579 5.128 -10.729 1.00 0.00 H new ATOM 0 HA ASP A 75 12.291 5.498 -11.798 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.783 6.965 -12.604 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.299 7.840 -12.525 1.00 0.00 H new ATOM 854 N ASP A 76 11.294 6.146 -9.034 1.00 0.00 N ATOM 855 CA ASP A 76 11.612 6.727 -7.720 1.00 0.00 C ATOM 856 C ASP A 76 12.092 5.595 -6.813 1.00 0.00 C ATOM 857 O ASP A 76 11.615 5.446 -5.683 1.00 0.00 O ATOM 858 CB ASP A 76 10.408 7.434 -7.064 1.00 0.00 C ATOM 859 CG ASP A 76 9.996 8.756 -7.670 1.00 0.00 C ATOM 860 OD1 ASP A 76 10.800 9.707 -7.621 1.00 0.00 O ATOM 861 OD2 ASP A 76 8.816 8.865 -8.076 1.00 0.00 O ATOM 0 H ASP A 76 10.838 5.236 -8.968 1.00 0.00 H new ATOM 0 HA ASP A 76 12.379 7.488 -7.862 1.00 0.00 H new ATOM 0 HB2 ASP A 76 9.553 6.759 -7.102 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.639 7.597 -6.011 1.00 0.00 H new ATOM 866 N GLN A 77 12.954 4.707 -7.322 1.00 0.00 N ATOM 867 CA GLN A 77 13.327 3.507 -6.572 1.00 0.00 C ATOM 868 C GLN A 77 14.021 3.884 -5.260 1.00 0.00 C ATOM 869 O GLN A 77 13.656 3.369 -4.204 1.00 0.00 O ATOM 870 CB GLN A 77 14.196 2.547 -7.400 1.00 0.00 C ATOM 871 CG GLN A 77 13.568 2.174 -8.748 1.00 0.00 C ATOM 872 CD GLN A 77 14.079 0.833 -9.277 1.00 0.00 C ATOM 873 OE1 GLN A 77 15.192 0.718 -9.780 1.00 0.00 O ATOM 874 NE2 GLN A 77 13.295 -0.223 -9.170 1.00 0.00 N ATOM 0 H GLN A 77 13.399 4.796 -8.235 1.00 0.00 H new ATOM 0 HA GLN A 77 12.406 2.974 -6.337 1.00 0.00 H new ATOM 0 HB2 GLN A 77 15.169 3.007 -7.575 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.372 1.638 -6.824 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.484 2.130 -8.641 1.00 0.00 H new ATOM 0 HG3 GLN A 77 13.785 2.956 -9.476 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.369 -0.131 -8.752 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.615 -1.132 -9.505 1.00 0.00 H new ATOM 883 N ASP A 78 15.008 4.785 -5.297 1.00 0.00 N ATOM 884 CA ASP A 78 15.678 5.287 -4.087 1.00 0.00 C ATOM 885 C ASP A 78 14.828 6.309 -3.309 1.00 0.00 C ATOM 886 O ASP A 78 15.216 6.706 -2.209 1.00 0.00 O ATOM 887 CB ASP A 78 17.095 5.814 -4.342 1.00 0.00 C ATOM 888 CG ASP A 78 17.168 7.055 -5.227 1.00 0.00 C ATOM 889 OD1 ASP A 78 16.814 8.166 -4.774 1.00 0.00 O ATOM 890 OD2 ASP A 78 17.602 6.893 -6.386 1.00 0.00 O ATOM 0 H ASP A 78 15.366 5.188 -6.163 1.00 0.00 H new ATOM 0 HA ASP A 78 15.787 4.409 -3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.561 6.041 -3.383 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.685 5.021 -4.803 1.00 0.00 H new ATOM 895 N GLY A 79 13.654 6.683 -3.822 1.00 0.00 N ATOM 896 CA GLY A 79 12.815 7.728 -3.262 1.00 0.00 C ATOM 897 C GLY A 79 11.884 7.198 -2.173 1.00 0.00 C ATOM 898 O GLY A 79 12.284 7.065 -1.015 1.00 0.00 O ATOM 0 H GLY A 79 13.257 6.254 -4.658 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.445 8.515 -2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.222 8.180 -4.057 1.00 0.00 H new ATOM 902 N THR A 80 10.624 6.913 -2.513 1.00 0.00 N ATOM 903 CA THR A 80 9.601 6.488 -1.548 1.00 0.00 C ATOM 904 C THR A 80 9.358 4.987 -1.694 1.00 0.00 C ATOM 905 O THR A 80 9.487 4.463 -2.797 1.00 0.00 O ATOM 906 CB THR A 80 8.317 7.303 -1.775 1.00 0.00 C ATOM 907 OG1 THR A 80 8.657 8.682 -1.836 1.00 0.00 O ATOM 908 CG2 THR A 80 7.279 7.170 -0.654 1.00 0.00 C ATOM 0 H THR A 80 10.281 6.970 -3.472 1.00 0.00 H new ATOM 0 HA THR A 80 9.938 6.673 -0.528 1.00 0.00 H new ATOM 0 HB THR A 80 7.880 6.914 -2.695 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.846 9.213 -1.982 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.405 7.776 -0.893 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.981 6.126 -0.556 1.00 0.00 H new ATOM 0 HG23 THR A 80 7.712 7.513 0.286 1.00 0.00 H new ATOM 916 N ILE A 81 8.961 4.284 -0.631 1.00 0.00 N ATOM 917 CA ILE A 81 8.413 2.939 -0.765 1.00 0.00 C ATOM 918 C ILE A 81 7.487 2.651 0.413 1.00 0.00 C ATOM 919 O ILE A 81 7.664 3.187 1.515 1.00 0.00 O ATOM 920 CB ILE A 81 9.556 1.895 -0.885 1.00 0.00 C ATOM 921 CG1 ILE A 81 9.022 0.468 -1.133 1.00 0.00 C ATOM 922 CG2 ILE A 81 10.471 1.876 0.352 1.00 0.00 C ATOM 923 CD1 ILE A 81 10.028 -0.405 -1.892 1.00 0.00 C ATOM 0 H ILE A 81 9.010 4.626 0.329 1.00 0.00 H new ATOM 0 HA ILE A 81 7.825 2.868 -1.680 1.00 0.00 H new ATOM 0 HB ILE A 81 10.140 2.212 -1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.786 -0.000 -0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.092 0.523 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.252 1.129 0.215 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.927 2.858 0.483 1.00 0.00 H new ATOM 0 HG23 ILE A 81 9.883 1.628 1.236 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.607 -1.399 -2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.245 0.047 -2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.949 -0.485 -1.314 1.00 0.00 H new ATOM 935 N ILE A 82 6.532 1.747 0.201 1.00 0.00 N ATOM 936 CA ILE A 82 5.668 1.208 1.236 1.00 0.00 C ATOM 937 C ILE A 82 5.709 -0.310 1.087 1.00 0.00 C ATOM 938 O ILE A 82 5.476 -0.811 -0.009 1.00 0.00 O ATOM 939 CB ILE A 82 4.237 1.781 1.096 1.00 0.00 C ATOM 940 CG1 ILE A 82 4.216 3.332 1.064 1.00 0.00 C ATOM 941 CG2 ILE A 82 3.342 1.245 2.235 1.00 0.00 C ATOM 942 CD1 ILE A 82 2.864 3.880 0.610 1.00 0.00 C ATOM 0 H ILE A 82 6.337 1.362 -0.723 1.00 0.00 H new ATOM 0 HA ILE A 82 6.003 1.489 2.234 1.00 0.00 H new ATOM 0 HB ILE A 82 3.843 1.445 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.448 3.718 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.996 3.691 0.392 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.336 1.652 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.300 0.157 2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.757 1.547 3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 82 2.897 4.969 0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.643 3.517 -0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.086 3.545 1.296 1.00 0.00 H new ATOM 954 N PHE A 83 6.011 -1.036 2.166 1.00 0.00 N ATOM 955 CA PHE A 83 5.870 -2.485 2.267 1.00 0.00 C ATOM 956 C PHE A 83 4.606 -2.780 3.081 1.00 0.00 C ATOM 957 O PHE A 83 4.187 -1.946 3.891 1.00 0.00 O ATOM 958 CB PHE A 83 7.105 -3.106 2.946 1.00 0.00 C ATOM 959 CG PHE A 83 8.428 -2.909 2.232 1.00 0.00 C ATOM 960 CD1 PHE A 83 9.125 -1.693 2.367 1.00 0.00 C ATOM 961 CD2 PHE A 83 8.995 -3.952 1.476 1.00 0.00 C ATOM 962 CE1 PHE A 83 10.380 -1.520 1.762 1.00 0.00 C ATOM 963 CE2 PHE A 83 10.254 -3.776 0.876 1.00 0.00 C ATOM 964 CZ PHE A 83 10.946 -2.564 1.018 1.00 0.00 C ATOM 0 H PHE A 83 6.373 -0.614 3.021 1.00 0.00 H new ATOM 0 HA PHE A 83 5.789 -2.923 1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.191 -2.689 3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.932 -4.176 3.060 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.691 -0.887 2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.464 -4.885 1.357 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.908 -0.584 1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.691 -4.579 0.302 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.913 -2.436 0.555 1.00 0.00 H new ATOM 974 N PHE A 84 3.987 -3.949 2.920 1.00 0.00 N ATOM 975 CA PHE A 84 2.798 -4.354 3.677 1.00 0.00 C ATOM 976 C PHE A 84 2.629 -5.873 3.601 1.00 0.00 C ATOM 977 O PHE A 84 3.081 -6.497 2.642 1.00 0.00 O ATOM 978 CB PHE A 84 1.533 -3.617 3.172 1.00 0.00 C ATOM 979 CG PHE A 84 1.379 -3.592 1.661 1.00 0.00 C ATOM 980 CD1 PHE A 84 2.131 -2.687 0.888 1.00 0.00 C ATOM 981 CD2 PHE A 84 0.526 -4.502 1.013 1.00 0.00 C ATOM 982 CE1 PHE A 84 2.098 -2.747 -0.507 1.00 0.00 C ATOM 983 CE2 PHE A 84 0.444 -4.521 -0.390 1.00 0.00 C ATOM 984 CZ PHE A 84 1.239 -3.648 -1.152 1.00 0.00 C ATOM 0 H PHE A 84 4.300 -4.653 2.251 1.00 0.00 H new ATOM 0 HA PHE A 84 2.934 -4.072 4.721 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.653 -4.092 3.606 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.555 -2.591 3.539 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.738 -1.940 1.378 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.069 -5.190 1.596 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.735 -2.098 -1.090 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.230 -5.206 -0.882 1.00 0.00 H new ATOM 0 HZ PHE A 84 1.188 -3.671 -2.231 1.00 0.00 H new ATOM 994 N LYS A 85 1.978 -6.464 4.604 1.00 0.00 N ATOM 995 CA LYS A 85 1.580 -7.868 4.631 1.00 0.00 C ATOM 996 C LYS A 85 0.222 -7.943 5.300 1.00 0.00 C ATOM 997 O LYS A 85 0.097 -7.491 6.440 1.00 0.00 O ATOM 998 CB LYS A 85 2.613 -8.725 5.336 1.00 0.00 C ATOM 999 CG LYS A 85 2.372 -10.221 5.041 1.00 0.00 C ATOM 1000 CD LYS A 85 2.847 -11.012 6.247 1.00 0.00 C ATOM 1001 CE LYS A 85 2.369 -12.471 6.276 1.00 0.00 C ATOM 1002 NZ LYS A 85 2.685 -13.113 7.575 1.00 0.00 N ATOM 0 H LYS A 85 1.705 -5.959 5.447 1.00 0.00 H new ATOM 0 HA LYS A 85 1.514 -8.264 3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.613 -8.441 5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.567 -8.549 6.411 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.315 -10.408 4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.914 -10.526 4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.937 -10.999 6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.504 -10.512 7.153 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.294 -12.508 6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.843 -13.028 5.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.166 -14.011 7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.707 -13.297 7.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.404 -12.481 8.352 1.00 0.00 H new ATOM 1016 N ALA A 86 -0.779 -8.448 4.586 1.00 0.00 N ATOM 1017 CA ALA A 86 -2.071 -8.785 5.153 1.00 0.00 C ATOM 1018 C ALA A 86 -1.995 -10.175 5.775 1.00 0.00 C ATOM 1019 O ALA A 86 -1.434 -11.093 5.173 1.00 0.00 O ATOM 1020 CB ALA A 86 -3.133 -8.779 4.053 1.00 0.00 C ATOM 0 H ALA A 86 -0.710 -8.635 3.586 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.338 -8.052 5.915 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.102 -9.033 4.482 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.184 -7.788 3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.871 -9.512 3.290 1.00 0.00 H new ATOM 1026 N GLU A 87 -2.640 -10.344 6.924 1.00 0.00 N ATOM 1027 CA GLU A 87 -2.763 -11.586 7.663 1.00 0.00 C ATOM 1028 C GLU A 87 -4.220 -11.735 8.101 1.00 0.00 C ATOM 1029 O GLU A 87 -4.588 -11.334 9.209 1.00 0.00 O ATOM 1030 CB GLU A 87 -1.802 -11.562 8.862 1.00 0.00 C ATOM 1031 CG GLU A 87 -0.443 -12.184 8.534 1.00 0.00 C ATOM 1032 CD GLU A 87 0.338 -12.508 9.805 1.00 0.00 C ATOM 1033 OE1 GLU A 87 -0.192 -13.248 10.664 1.00 0.00 O ATOM 1034 OE2 GLU A 87 1.496 -12.040 9.931 1.00 0.00 O ATOM 0 H GLU A 87 -3.117 -9.571 7.387 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.494 -12.443 7.046 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.658 -10.532 9.188 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.253 -12.100 9.696 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.588 -13.094 7.951 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.134 -11.497 7.915 1.00 0.00 H new ATOM 1041 N GLY A 88 -5.073 -12.262 7.217 1.00 0.00 N ATOM 1042 CA GLY A 88 -6.479 -12.582 7.465 1.00 0.00 C ATOM 1043 C GLY A 88 -7.375 -11.345 7.541 1.00 0.00 C ATOM 1044 O GLY A 88 -8.427 -11.301 6.899 1.00 0.00 O ATOM 0 H GLY A 88 -4.786 -12.487 6.264 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.841 -13.237 6.672 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.559 -13.138 8.399 1.00 0.00 H new ATOM 1048 N GLN A 89 -6.971 -10.349 8.326 1.00 0.00 N ATOM 1049 CA GLN A 89 -7.490 -8.996 8.354 1.00 0.00 C ATOM 1050 C GLN A 89 -6.356 -7.998 8.574 1.00 0.00 C ATOM 1051 O GLN A 89 -6.359 -6.901 8.040 1.00 0.00 O ATOM 1052 CB GLN A 89 -8.510 -8.805 9.481 1.00 0.00 C ATOM 1053 CG GLN A 89 -9.804 -9.583 9.254 1.00 0.00 C ATOM 1054 CD GLN A 89 -10.895 -9.022 10.149 1.00 0.00 C ATOM 1055 OE1 GLN A 89 -10.933 -9.244 11.360 1.00 0.00 O ATOM 1056 NE2 GLN A 89 -11.783 -8.235 9.570 1.00 0.00 N ATOM 0 H GLN A 89 -6.220 -10.482 9.004 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.976 -8.823 7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.064 -9.120 10.424 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.742 -7.744 9.577 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.104 -9.513 8.209 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.648 -10.640 9.471 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -11.735 -8.064 8.566 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.517 -7.798 10.127 1.00 0.00 H new ATOM 1065 N THR A 90 -5.453 -8.289 9.480 1.00 0.00 N ATOM 1066 CA THR A 90 -4.545 -7.269 9.959 1.00 0.00 C ATOM 1067 C THR A 90 -3.429 -7.054 8.941 1.00 0.00 C ATOM 1068 O THR A 90 -2.793 -8.013 8.509 1.00 0.00 O ATOM 1069 CB THR A 90 -4.069 -7.597 11.379 1.00 0.00 C ATOM 1070 OG1 THR A 90 -5.180 -8.059 12.136 1.00 0.00 O ATOM 1071 CG2 THR A 90 -3.495 -6.362 12.082 1.00 0.00 C ATOM 0 H THR A 90 -5.326 -9.211 9.897 1.00 0.00 H new ATOM 0 HA THR A 90 -5.056 -6.310 10.048 1.00 0.00 H new ATOM 0 HB THR A 90 -3.288 -8.354 11.308 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.889 -8.274 13.047 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.168 -6.634 13.086 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.646 -5.982 11.514 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.262 -5.591 12.147 1.00 0.00 H new ATOM 1079 N VAL A 91 -3.237 -5.806 8.524 1.00 0.00 N ATOM 1080 CA VAL A 91 -2.219 -5.383 7.582 1.00 0.00 C ATOM 1081 C VAL A 91 -1.157 -4.672 8.395 1.00 0.00 C ATOM 1082 O VAL A 91 -1.438 -3.617 8.967 1.00 0.00 O ATOM 1083 CB VAL A 91 -2.799 -4.444 6.511 1.00 0.00 C ATOM 1084 CG1 VAL A 91 -1.754 -4.147 5.424 1.00 0.00 C ATOM 1085 CG2 VAL A 91 -4.026 -5.045 5.835 1.00 0.00 C ATOM 0 H VAL A 91 -3.815 -5.032 8.851 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.808 -6.240 7.049 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.084 -3.526 7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.186 -3.481 4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.884 -3.670 5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.450 -5.079 4.947 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.405 -4.351 5.085 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.753 -5.984 5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.798 -5.230 6.581 1.00 0.00 H new ATOM 1095 N ILE A 92 0.038 -5.245 8.474 1.00 0.00 N ATOM 1096 CA ILE A 92 1.204 -4.586 9.017 1.00 0.00 C ATOM 1097 C ILE A 92 1.766 -3.752 7.862 1.00 0.00 C ATOM 1098 O ILE A 92 2.478 -4.270 7.004 1.00 0.00 O ATOM 1099 CB ILE A 92 2.200 -5.627 9.568 1.00 0.00 C ATOM 1100 CG1 ILE A 92 1.603 -6.617 10.601 1.00 0.00 C ATOM 1101 CG2 ILE A 92 3.359 -4.892 10.271 1.00 0.00 C ATOM 1102 CD1 ILE A 92 0.691 -7.730 10.063 1.00 0.00 C ATOM 0 H ILE A 92 0.220 -6.197 8.155 1.00 0.00 H new ATOM 0 HA ILE A 92 0.978 -3.941 9.866 1.00 0.00 H new ATOM 0 HB ILE A 92 2.516 -6.208 8.702 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.429 -7.086 11.135 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.037 -6.041 11.333 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.068 -5.621 10.663 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.865 -4.243 9.556 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.965 -4.292 11.091 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.344 -8.348 10.891 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.167 -7.285 9.558 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.247 -8.347 9.358 1.00 0.00 H new ATOM 1114 N ILE A 93 1.403 -2.474 7.792 1.00 0.00 N ATOM 1115 CA ILE A 93 1.965 -1.518 6.848 1.00 0.00 C ATOM 1116 C ILE A 93 3.347 -1.131 7.376 1.00 0.00 C ATOM 1117 O ILE A 93 3.484 -0.547 8.457 1.00 0.00 O ATOM 1118 CB ILE A 93 1.091 -0.256 6.635 1.00 0.00 C ATOM 1119 CG1 ILE A 93 -0.433 -0.520 6.585 1.00 0.00 C ATOM 1120 CG2 ILE A 93 1.577 0.376 5.311 1.00 0.00 C ATOM 1121 CD1 ILE A 93 -1.266 0.752 6.443 1.00 0.00 C ATOM 0 H ILE A 93 0.695 -2.068 8.404 1.00 0.00 H new ATOM 0 HA ILE A 93 2.018 -1.989 5.867 1.00 0.00 H new ATOM 0 HB ILE A 93 1.213 0.403 7.495 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.652 -1.184 5.748 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.733 -1.042 7.493 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.997 1.275 5.103 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.632 0.636 5.398 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.445 -0.337 4.497 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.324 0.493 6.414 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.076 1.408 7.292 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.993 1.265 5.521 1.00 0.00 H new ATOM 1133 N LYS A 94 4.377 -1.443 6.598 1.00 0.00 N ATOM 1134 CA LYS A 94 5.777 -1.205 6.886 1.00 0.00 C ATOM 1135 C LYS A 94 6.290 -0.166 5.891 1.00 0.00 C ATOM 1136 O LYS A 94 6.838 -0.498 4.847 1.00 0.00 O ATOM 1137 CB LYS A 94 6.535 -2.540 6.807 1.00 0.00 C ATOM 1138 CG LYS A 94 6.228 -3.479 7.974 1.00 0.00 C ATOM 1139 CD LYS A 94 7.257 -4.618 8.033 1.00 0.00 C ATOM 1140 CE LYS A 94 6.898 -5.560 9.182 1.00 0.00 C ATOM 1141 NZ LYS A 94 7.861 -6.663 9.361 1.00 0.00 N ATOM 0 H LYS A 94 4.243 -1.897 5.694 1.00 0.00 H new ATOM 0 HA LYS A 94 5.930 -0.812 7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.282 -3.039 5.872 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.606 -2.341 6.782 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.240 -2.921 8.910 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.226 -3.892 7.862 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.268 -5.164 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.258 -4.213 8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.839 -4.986 10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 94 5.908 -5.978 9.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.384 -7.472 9.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.235 -6.951 8.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.644 -6.345 9.967 1.00 0.00 H new ATOM 1155 N TYR A 95 6.088 1.117 6.165 1.00 0.00 N ATOM 1156 CA TYR A 95 6.487 2.196 5.258 1.00 0.00 C ATOM 1157 C TYR A 95 7.764 2.860 5.738 1.00 0.00 C ATOM 1158 O TYR A 95 8.150 2.688 6.888 1.00 0.00 O ATOM 1159 CB TYR A 95 5.363 3.220 5.173 1.00 0.00 C ATOM 1160 CG TYR A 95 4.875 3.759 6.503 1.00 0.00 C ATOM 1161 CD1 TYR A 95 3.921 3.024 7.228 1.00 0.00 C ATOM 1162 CD2 TYR A 95 5.333 4.997 6.989 1.00 0.00 C ATOM 1163 CE1 TYR A 95 3.429 3.520 8.446 1.00 0.00 C ATOM 1164 CE2 TYR A 95 4.815 5.511 8.194 1.00 0.00 C ATOM 1165 CZ TYR A 95 3.842 4.786 8.916 1.00 0.00 C ATOM 1166 OH TYR A 95 3.252 5.333 10.016 1.00 0.00 O ATOM 0 H TYR A 95 5.643 1.443 7.023 1.00 0.00 H new ATOM 0 HA TYR A 95 6.677 1.776 4.270 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.702 4.057 4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.520 2.767 4.652 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.566 2.077 6.848 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.079 5.552 6.440 1.00 0.00 H new ATOM 0 HE1 TYR A 95 2.733 2.932 9.025 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.163 6.463 8.567 1.00 0.00 H new ATOM 0 HH TYR A 95 3.656 6.206 10.204 1.00 0.00 H new ATOM 1176 N THR A 96 8.394 3.668 4.896 1.00 0.00 N ATOM 1177 CA THR A 96 9.497 4.527 5.288 1.00 0.00 C ATOM 1178 C THR A 96 9.275 5.897 4.654 1.00 0.00 C ATOM 1179 O THR A 96 8.278 6.143 3.970 1.00 0.00 O ATOM 1180 CB THR A 96 10.853 3.854 4.987 1.00 0.00 C ATOM 1181 OG1 THR A 96 11.888 4.603 5.589 1.00 0.00 O ATOM 1182 CG2 THR A 96 11.140 3.656 3.497 1.00 0.00 C ATOM 0 H THR A 96 8.148 3.744 3.909 1.00 0.00 H new ATOM 0 HA THR A 96 9.530 4.686 6.366 1.00 0.00 H new ATOM 0 HB THR A 96 10.803 2.850 5.410 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.616 4.730 4.946 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.112 3.177 3.374 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.367 3.025 3.058 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.146 4.624 2.996 1.00 0.00 H new ATOM 1190 N SER A 97 10.187 6.802 4.963 1.00 0.00 N ATOM 1191 CA SER A 97 10.315 8.123 4.380 1.00 0.00 C ATOM 1192 C SER A 97 11.744 8.361 3.890 1.00 0.00 C ATOM 1193 O SER A 97 11.998 9.382 3.254 1.00 0.00 O ATOM 1194 CB SER A 97 9.851 9.152 5.403 1.00 0.00 C ATOM 1195 OG SER A 97 10.361 8.863 6.699 1.00 0.00 O ATOM 0 H SER A 97 10.900 6.622 5.670 1.00 0.00 H new ATOM 0 HA SER A 97 9.681 8.217 3.498 1.00 0.00 H new ATOM 0 HB2 SER A 97 10.177 10.146 5.095 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.762 9.170 5.435 1.00 0.00 H new ATOM 0 HG SER A 97 10.074 9.559 7.326 1.00 0.00 H new ATOM 1201 N GLN A 98 12.649 7.397 4.113 1.00 0.00 N ATOM 1202 CA GLN A 98 13.863 7.268 3.324 1.00 0.00 C ATOM 1203 C GLN A 98 14.244 5.798 3.202 1.00 0.00 C ATOM 1204 O GLN A 98 14.198 5.056 4.192 1.00 0.00 O ATOM 1205 CB GLN A 98 15.042 7.990 3.973 1.00 0.00 C ATOM 1206 CG GLN A 98 14.999 9.515 3.911 1.00 0.00 C ATOM 1207 CD GLN A 98 16.422 10.025 4.144 1.00 0.00 C ATOM 1208 OE1 GLN A 98 17.013 9.780 5.191 1.00 0.00 O ATOM 1209 NE2 GLN A 98 17.046 10.600 3.131 1.00 0.00 N ATOM 0 H GLN A 98 12.552 6.692 4.844 1.00 0.00 H new ATOM 0 HA GLN A 98 13.658 7.711 2.349 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.098 7.689 5.019 1.00 0.00 H new ATOM 0 HB3 GLN A 98 15.960 7.651 3.494 1.00 0.00 H new ATOM 0 HG2 GLN A 98 14.626 9.849 2.943 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.321 9.911 4.668 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.541 10.797 2.267 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.032 10.846 3.213 1.00 0.00 H new ATOM 1218 N ARG A 99 14.749 5.401 2.034 1.00 0.00 N ATOM 1219 CA ARG A 99 15.240 4.044 1.785 1.00 0.00 C ATOM 1220 C ARG A 99 16.350 3.630 2.747 1.00 0.00 C ATOM 1221 O ARG A 99 16.374 2.488 3.200 1.00 0.00 O ATOM 1222 CB ARG A 99 15.706 3.920 0.327 1.00 0.00 C ATOM 1223 CG ARG A 99 14.570 3.952 -0.706 1.00 0.00 C ATOM 1224 CD ARG A 99 13.663 2.720 -0.750 1.00 0.00 C ATOM 1225 NE ARG A 99 14.409 1.452 -0.780 1.00 0.00 N ATOM 1226 CZ ARG A 99 15.189 0.971 -1.755 1.00 0.00 C ATOM 1227 NH1 ARG A 99 15.278 1.551 -2.943 1.00 0.00 N ATOM 1228 NH2 ARG A 99 15.922 -0.105 -1.512 1.00 0.00 N ATOM 0 H ARG A 99 14.830 6.018 1.226 1.00 0.00 H new ATOM 0 HA ARG A 99 14.411 3.359 1.963 1.00 0.00 H new ATOM 0 HB2 ARG A 99 16.401 4.731 0.110 1.00 0.00 H new ATOM 0 HB3 ARG A 99 16.259 2.987 0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.951 4.827 -0.507 1.00 0.00 H new ATOM 0 HG3 ARG A 99 15.009 4.090 -1.694 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.008 2.728 0.121 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.024 2.779 -1.631 1.00 0.00 H new ATOM 0 HE ARG A 99 14.320 0.864 0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.740 2.395 -3.140 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.884 1.153 -3.660 1.00 0.00 H new ATOM 0 HH21 ARG A 99 15.885 -0.551 -0.595 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.523 -0.488 -2.242 1.00 0.00 H new ATOM 1242 N ASN A 100 17.199 4.574 3.156 1.00 0.00 N ATOM 1243 CA ASN A 100 18.325 4.323 4.062 1.00 0.00 C ATOM 1244 C ASN A 100 17.919 4.116 5.528 1.00 0.00 C ATOM 1245 O ASN A 100 18.788 4.164 6.401 1.00 0.00 O ATOM 1246 CB ASN A 100 19.449 5.375 3.933 1.00 0.00 C ATOM 1247 CG ASN A 100 19.282 6.633 4.778 1.00 0.00 C ATOM 1248 OD1 ASN A 100 20.251 7.186 5.285 1.00 0.00 O ATOM 1249 ND2 ASN A 100 18.068 7.134 4.888 1.00 0.00 N ATOM 0 H ASN A 100 17.124 5.549 2.864 1.00 0.00 H new ATOM 0 HA ASN A 100 18.730 3.369 3.724 1.00 0.00 H new ATOM 0 HB2 ASN A 100 20.394 4.903 4.201 1.00 0.00 H new ATOM 0 HB3 ASN A 100 19.525 5.671 2.887 1.00 0.00 H new ATOM 0 HD21 ASN A 100 17.919 8.001 5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 100 17.278 6.655 4.457 1.00 0.00 H new ATOM 1256 N THR A 101 16.635 3.902 5.831 1.00 0.00 N ATOM 1257 CA THR A 101 16.199 3.520 7.170 1.00 0.00 C ATOM 1258 C THR A 101 15.225 2.348 7.098 1.00 0.00 C ATOM 1259 O THR A 101 14.584 2.131 6.064 1.00 0.00 O ATOM 1260 CB THR A 101 15.580 4.716 7.913 1.00 0.00 C ATOM 1261 OG1 THR A 101 14.561 5.341 7.146 1.00 0.00 O ATOM 1262 CG2 THR A 101 16.623 5.766 8.290 1.00 0.00 C ATOM 0 H THR A 101 15.875 3.989 5.156 1.00 0.00 H new ATOM 0 HA THR A 101 17.073 3.201 7.738 1.00 0.00 H new ATOM 0 HB THR A 101 15.148 4.305 8.825 1.00 0.00 H new ATOM 0 HG1 THR A 101 14.559 4.969 6.239 1.00 0.00 H new ATOM 0 HG21 THR A 101 16.137 6.590 8.812 1.00 0.00 H new ATOM 0 HG22 THR A 101 17.373 5.316 8.940 1.00 0.00 H new ATOM 0 HG23 THR A 101 17.104 6.142 7.387 1.00 0.00 H new ATOM 1270 N LYS A 102 15.077 1.615 8.208 1.00 0.00 N ATOM 1271 CA LYS A 102 14.057 0.582 8.348 1.00 0.00 C ATOM 1272 C LYS A 102 12.658 1.180 8.251 1.00 0.00 C ATOM 1273 O LYS A 102 12.462 2.398 8.239 1.00 0.00 O ATOM 1274 CB LYS A 102 14.231 -0.218 9.655 1.00 0.00 C ATOM 1275 CG LYS A 102 13.790 0.533 10.933 1.00 0.00 C ATOM 1276 CD LYS A 102 13.465 -0.419 12.091 1.00 0.00 C ATOM 1277 CE LYS A 102 12.196 -1.263 11.837 1.00 0.00 C ATOM 1278 NZ LYS A 102 11.172 -1.084 12.890 1.00 0.00 N ATOM 0 H LYS A 102 15.665 1.726 9.034 1.00 0.00 H new ATOM 0 HA LYS A 102 14.184 -0.117 7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 102 13.660 -1.143 9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 102 15.279 -0.498 9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.581 1.217 11.240 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.913 1.140 10.709 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.312 -1.085 12.255 1.00 0.00 H new ATOM 0 HD3 LYS A 102 13.333 0.160 13.005 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.770 -0.990 10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 102 12.471 -2.316 11.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.709 -1.995 13.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 11.625 -0.736 13.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 10.462 -0.395 12.570 1.00 0.00 H new ATOM 1292 N LEU A 103 11.670 0.299 8.248 1.00 0.00 N ATOM 1293 CA LEU A 103 10.279 0.668 8.125 1.00 0.00 C ATOM 1294 C LEU A 103 9.701 1.064 9.491 1.00 0.00 C ATOM 1295 O LEU A 103 10.078 0.518 10.533 1.00 0.00 O ATOM 1296 CB LEU A 103 9.524 -0.523 7.511 1.00 0.00 C ATOM 1297 CG LEU A 103 9.972 -0.996 6.103 1.00 0.00 C ATOM 1298 CD1 LEU A 103 10.381 0.147 5.169 1.00 0.00 C ATOM 1299 CD2 LEU A 103 11.082 -2.049 6.164 1.00 0.00 C ATOM 0 H LEU A 103 11.820 -0.706 8.333 1.00 0.00 H new ATOM 0 HA LEU A 103 10.171 1.537 7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.611 -1.367 8.195 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.467 -0.263 7.460 1.00 0.00 H new ATOM 0 HG LEU A 103 9.081 -1.456 5.675 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.682 -0.261 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.537 0.823 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 103 11.216 0.694 5.607 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.358 -2.346 5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.952 -1.631 6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.727 -2.921 6.713 1.00 0.00 H new ATOM 1311 N LYS A 104 8.725 1.974 9.471 1.00 0.00 N ATOM 1312 CA LYS A 104 7.709 2.174 10.503 1.00 0.00 C ATOM 1313 C LYS A 104 6.818 0.917 10.557 1.00 0.00 C ATOM 1314 O LYS A 104 7.070 -0.058 9.841 1.00 0.00 O ATOM 1315 CB LYS A 104 6.884 3.446 10.191 1.00 0.00 C ATOM 1316 CG LYS A 104 7.611 4.797 10.373 1.00 0.00 C ATOM 1317 CD LYS A 104 8.476 5.265 9.191 1.00 0.00 C ATOM 1318 CE LYS A 104 9.131 6.633 9.502 1.00 0.00 C ATOM 1319 NZ LYS A 104 8.634 7.778 8.694 1.00 0.00 N ATOM 0 H LYS A 104 8.618 2.625 8.693 1.00 0.00 H new ATOM 0 HA LYS A 104 8.174 2.320 11.478 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.534 3.382 9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.000 3.445 10.829 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.864 5.564 10.576 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.246 4.729 11.257 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.249 4.525 8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 104 7.862 5.345 8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.975 6.860 10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.207 6.544 9.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.579 8.627 9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.286 7.954 7.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.689 7.555 8.321 1.00 0.00 H new ATOM 1333 N ALA A 105 5.784 0.902 11.399 1.00 0.00 N ATOM 1334 CA ALA A 105 4.884 -0.244 11.542 1.00 0.00 C ATOM 1335 C ALA A 105 3.496 0.187 12.038 1.00 0.00 C ATOM 1336 O ALA A 105 3.266 0.290 13.243 1.00 0.00 O ATOM 1337 CB ALA A 105 5.510 -1.279 12.487 1.00 0.00 C ATOM 0 H ALA A 105 5.546 1.688 12.004 1.00 0.00 H new ATOM 0 HA ALA A 105 4.746 -0.698 10.561 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.837 -2.130 12.591 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.462 -1.617 12.078 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.676 -0.826 13.464 1.00 0.00 H new ATOM 1343 N LYS A 106 2.553 0.410 11.121 1.00 0.00 N ATOM 1344 CA LYS A 106 1.136 0.691 11.392 1.00 0.00 C ATOM 1345 C LYS A 106 0.389 -0.621 11.137 1.00 0.00 C ATOM 1346 O LYS A 106 0.494 -1.137 10.030 1.00 0.00 O ATOM 1347 CB LYS A 106 0.715 1.829 10.439 1.00 0.00 C ATOM 1348 CG LYS A 106 -0.772 2.207 10.321 1.00 0.00 C ATOM 1349 CD LYS A 106 -1.263 3.353 11.222 1.00 0.00 C ATOM 1350 CE LYS A 106 -2.373 4.155 10.507 1.00 0.00 C ATOM 1351 NZ LYS A 106 -2.564 5.515 11.056 1.00 0.00 N ATOM 0 H LYS A 106 2.763 0.400 10.123 1.00 0.00 H new ATOM 0 HA LYS A 106 0.922 1.017 12.410 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.257 2.725 10.741 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.065 1.566 9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.974 2.478 9.285 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -1.368 1.321 10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -1.643 2.950 12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -0.431 4.012 11.471 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -2.131 4.230 9.447 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -3.312 3.606 10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -3.322 5.998 10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -2.825 5.450 12.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.680 6.055 10.962 1.00 0.00 H new ATOM 1365 N ALA A 107 -0.300 -1.189 12.126 1.00 0.00 N ATOM 1366 CA ALA A 107 -1.028 -2.455 12.021 1.00 0.00 C ATOM 1367 C ALA A 107 -2.523 -2.184 12.179 1.00 0.00 C ATOM 1368 O ALA A 107 -2.917 -1.597 13.191 1.00 0.00 O ATOM 1369 CB ALA A 107 -0.543 -3.439 13.088 1.00 0.00 C ATOM 0 H ALA A 107 -0.370 -0.768 13.052 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.844 -2.902 11.044 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.094 -4.375 12.997 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.521 -3.629 12.951 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.711 -3.014 14.078 1.00 0.00 H new ATOM 1375 N LEU A 108 -3.344 -2.578 11.201 1.00 0.00 N ATOM 1376 CA LEU A 108 -4.752 -2.175 11.089 1.00 0.00 C ATOM 1377 C LEU A 108 -5.574 -3.352 10.568 1.00 0.00 C ATOM 1378 O LEU A 108 -5.087 -4.048 9.679 1.00 0.00 O ATOM 1379 CB LEU A 108 -4.869 -1.043 10.055 1.00 0.00 C ATOM 1380 CG LEU A 108 -3.977 0.188 10.278 1.00 0.00 C ATOM 1381 CD1 LEU A 108 -3.953 1.007 8.989 1.00 0.00 C ATOM 1382 CD2 LEU A 108 -4.450 1.047 11.447 1.00 0.00 C ATOM 0 H LEU A 108 -3.044 -3.199 10.449 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.111 -1.853 12.066 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.641 -1.455 9.072 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.907 -0.711 10.029 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.974 -0.154 10.534 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.324 1.886 9.128 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.552 0.398 8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.966 1.322 8.739 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.785 1.903 11.561 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.464 1.398 11.254 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.439 0.454 12.362 1.00 0.00 H new ATOM 1394 N THR A 109 -6.799 -3.586 11.047 1.00 0.00 N ATOM 1395 CA THR A 109 -7.623 -4.684 10.526 1.00 0.00 C ATOM 1396 C THR A 109 -8.276 -4.315 9.191 1.00 0.00 C ATOM 1397 O THR A 109 -8.684 -3.177 8.980 1.00 0.00 O ATOM 1398 CB THR A 109 -8.658 -5.151 11.571 1.00 0.00 C ATOM 1399 OG1 THR A 109 -9.188 -4.104 12.367 1.00 0.00 O ATOM 1400 CG2 THR A 109 -8.005 -6.200 12.471 1.00 0.00 C ATOM 0 H THR A 109 -7.239 -3.038 11.786 1.00 0.00 H new ATOM 0 HA THR A 109 -6.963 -5.529 10.329 1.00 0.00 H new ATOM 0 HB THR A 109 -9.502 -5.565 11.020 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.836 -4.473 13.003 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.725 -6.540 13.215 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.681 -7.047 11.866 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.143 -5.762 12.974 1.00 0.00 H new ATOM 1408 N LEU A 110 -8.495 -5.298 8.308 1.00 0.00 N ATOM 1409 CA LEU A 110 -9.091 -5.097 6.984 1.00 0.00 C ATOM 1410 C LEU A 110 -10.453 -4.426 7.070 1.00 0.00 C ATOM 1411 O LEU A 110 -10.868 -3.710 6.160 1.00 0.00 O ATOM 1412 CB LEU A 110 -9.248 -6.446 6.250 1.00 0.00 C ATOM 1413 CG LEU A 110 -8.049 -6.963 5.426 1.00 0.00 C ATOM 1414 CD1 LEU A 110 -8.484 -8.149 4.561 1.00 0.00 C ATOM 1415 CD2 LEU A 110 -7.383 -5.880 4.597 1.00 0.00 C ATOM 0 H LEU A 110 -8.258 -6.272 8.499 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.415 -4.445 6.430 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.495 -7.204 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.104 -6.365 5.580 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.289 -7.298 6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.633 -8.509 3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.852 -8.951 5.201 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.277 -7.833 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.548 -6.308 4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.106 -5.460 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.015 -5.093 5.255 1.00 0.00 H new ATOM 1427 N SER A 111 -11.152 -4.694 8.164 1.00 0.00 N ATOM 1428 CA SER A 111 -12.433 -4.119 8.466 1.00 0.00 C ATOM 1429 C SER A 111 -12.316 -2.603 8.694 1.00 0.00 C ATOM 1430 O SER A 111 -13.074 -1.851 8.079 1.00 0.00 O ATOM 1431 CB SER A 111 -12.977 -4.893 9.660 1.00 0.00 C ATOM 1432 OG SER A 111 -14.313 -5.250 9.413 1.00 0.00 O ATOM 0 H SER A 111 -10.823 -5.340 8.882 1.00 0.00 H new ATOM 0 HA SER A 111 -13.135 -4.208 7.637 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.376 -5.786 9.833 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.912 -4.285 10.562 1.00 0.00 H new ATOM 0 HG SER A 111 -14.665 -5.750 10.179 1.00 0.00 H new ATOM 1438 N GLN A 112 -11.332 -2.163 9.496 1.00 0.00 N ATOM 1439 CA GLN A 112 -10.940 -0.764 9.623 1.00 0.00 C ATOM 1440 C GLN A 112 -10.610 -0.216 8.245 1.00 0.00 C ATOM 1441 O GLN A 112 -11.289 0.710 7.827 1.00 0.00 O ATOM 1442 CB GLN A 112 -9.751 -0.585 10.590 1.00 0.00 C ATOM 1443 CG GLN A 112 -10.201 -0.359 12.034 1.00 0.00 C ATOM 1444 CD GLN A 112 -11.068 0.879 12.196 1.00 0.00 C ATOM 1445 OE1 GLN A 112 -12.136 0.824 12.803 1.00 0.00 O ATOM 1446 NE2 GLN A 112 -10.667 2.004 11.637 1.00 0.00 N ATOM 0 H GLN A 112 -10.780 -2.789 10.083 1.00 0.00 H new ATOM 0 HA GLN A 112 -11.773 -0.205 10.049 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.114 -1.468 10.545 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -9.146 0.261 10.264 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.756 -1.232 12.377 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -9.323 -0.268 12.673 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -9.779 2.036 11.136 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -11.245 2.842 11.705 1.00 0.00 H new ATOM 1455 N LEU A 113 -9.631 -0.785 7.527 1.00 0.00 N ATOM 1456 CA LEU A 113 -9.194 -0.269 6.225 1.00 0.00 C ATOM 1457 C LEU A 113 -10.386 0.010 5.301 1.00 0.00 C ATOM 1458 O LEU A 113 -10.440 1.046 4.642 1.00 0.00 O ATOM 1459 CB LEU A 113 -8.264 -1.267 5.501 1.00 0.00 C ATOM 1460 CG LEU A 113 -6.770 -1.353 5.853 1.00 0.00 C ATOM 1461 CD1 LEU A 113 -6.144 0.020 6.034 1.00 0.00 C ATOM 1462 CD2 LEU A 113 -6.450 -2.193 7.083 1.00 0.00 C ATOM 0 H LEU A 113 -9.122 -1.614 7.833 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.658 0.657 6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -8.685 -2.261 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -8.329 -1.049 4.435 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.337 -1.858 4.990 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.088 -0.091 6.282 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.242 0.589 5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -6.652 0.548 6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.373 -2.195 7.252 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.953 -1.771 7.953 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.794 -3.215 6.925 1.00 0.00 H new ATOM 1474 N LYS A 114 -11.341 -0.920 5.233 1.00 0.00 N ATOM 1475 CA LYS A 114 -12.502 -0.817 4.359 1.00 0.00 C ATOM 1476 C LYS A 114 -13.466 0.271 4.822 1.00 0.00 C ATOM 1477 O LYS A 114 -14.191 0.843 4.015 1.00 0.00 O ATOM 1478 CB LYS A 114 -13.196 -2.177 4.337 1.00 0.00 C ATOM 1479 CG LYS A 114 -14.295 -2.247 3.270 1.00 0.00 C ATOM 1480 CD LYS A 114 -15.076 -3.554 3.419 1.00 0.00 C ATOM 1481 CE LYS A 114 -14.275 -4.686 2.753 1.00 0.00 C ATOM 1482 NZ LYS A 114 -14.905 -6.013 2.890 1.00 0.00 N ATOM 0 H LYS A 114 -11.326 -1.774 5.791 1.00 0.00 H new ATOM 0 HA LYS A 114 -12.176 -0.537 3.357 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.458 -2.957 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -13.629 -2.378 5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -14.969 -1.396 3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -13.854 -2.187 2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -15.241 -3.777 4.473 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -16.058 -3.462 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -14.152 -4.459 1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.277 -4.720 3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -14.314 -6.728 2.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -14.999 -6.250 3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -15.847 -5.997 2.449 1.00 0.00 H new ATOM 1496 N LYS A 115 -13.554 0.534 6.116 1.00 0.00 N ATOM 1497 CA LYS A 115 -14.270 1.691 6.612 1.00 0.00 C ATOM 1498 C LYS A 115 -13.507 2.940 6.170 1.00 0.00 C ATOM 1499 O LYS A 115 -13.993 3.632 5.273 1.00 0.00 O ATOM 1500 CB LYS A 115 -14.461 1.528 8.127 1.00 0.00 C ATOM 1501 CG LYS A 115 -15.932 1.622 8.544 1.00 0.00 C ATOM 1502 CD LYS A 115 -16.919 0.662 7.862 1.00 0.00 C ATOM 1503 CE LYS A 115 -16.504 -0.816 7.919 1.00 0.00 C ATOM 1504 NZ LYS A 115 -17.697 -1.682 7.931 1.00 0.00 N ATOM 0 H LYS A 115 -13.134 -0.045 6.844 1.00 0.00 H new ATOM 0 HA LYS A 115 -15.275 1.793 6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -14.059 0.564 8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.889 2.296 8.647 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.989 1.457 9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -16.271 2.642 8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -17.897 0.771 8.331 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -17.031 0.956 6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.879 -1.059 7.060 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.905 -0.998 8.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.402 -2.679 7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -18.278 -1.460 8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -18.253 -1.519 7.067 1.00 0.00 H new ATOM 1518 N GLU A 116 -12.292 3.123 6.690 1.00 0.00 N ATOM 1519 CA GLU A 116 -11.431 4.298 6.552 1.00 0.00 C ATOM 1520 C GLU A 116 -11.417 4.779 5.098 1.00 0.00 C ATOM 1521 O GLU A 116 -11.688 5.950 4.814 1.00 0.00 O ATOM 1522 CB GLU A 116 -9.999 3.932 7.005 1.00 0.00 C ATOM 1523 CG GLU A 116 -9.842 3.425 8.448 1.00 0.00 C ATOM 1524 CD GLU A 116 -9.633 4.504 9.508 1.00 0.00 C ATOM 1525 OE1 GLU A 116 -10.648 5.027 10.014 1.00 0.00 O ATOM 1526 OE2 GLU A 116 -8.490 4.664 9.993 1.00 0.00 O ATOM 0 H GLU A 116 -11.852 2.401 7.260 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.816 5.104 7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.614 3.167 6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.368 4.812 6.882 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.730 2.850 8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.996 2.738 8.483 1.00 0.00 H new ATOM 1533 N PHE A 117 -11.143 3.859 4.173 1.00 0.00 N ATOM 1534 CA PHE A 117 -10.816 4.165 2.790 1.00 0.00 C ATOM 1535 C PHE A 117 -11.732 3.433 1.812 1.00 0.00 C ATOM 1536 O PHE A 117 -11.441 3.417 0.623 1.00 0.00 O ATOM 1537 CB PHE A 117 -9.339 3.848 2.539 1.00 0.00 C ATOM 1538 CG PHE A 117 -8.377 4.487 3.516 1.00 0.00 C ATOM 1539 CD1 PHE A 117 -8.281 5.887 3.581 1.00 0.00 C ATOM 1540 CD2 PHE A 117 -7.622 3.694 4.398 1.00 0.00 C ATOM 1541 CE1 PHE A 117 -7.456 6.497 4.538 1.00 0.00 C ATOM 1542 CE2 PHE A 117 -6.804 4.308 5.362 1.00 0.00 C ATOM 1543 CZ PHE A 117 -6.721 5.709 5.439 1.00 0.00 C ATOM 0 H PHE A 117 -11.144 2.859 4.374 1.00 0.00 H new ATOM 0 HA PHE A 117 -10.982 5.228 2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.203 2.767 2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.079 4.171 1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -8.845 6.497 2.891 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.670 2.617 4.335 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.386 7.574 4.582 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.235 3.699 6.049 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.096 6.176 6.186 1.00 0.00 H new ATOM 1553 N TYR A 118 -12.851 2.842 2.256 1.00 0.00 N ATOM 1554 CA TYR A 118 -13.843 2.265 1.342 1.00 0.00 C ATOM 1555 C TYR A 118 -15.297 2.616 1.751 1.00 0.00 C ATOM 1556 O TYR A 118 -16.231 2.027 1.213 1.00 0.00 O ATOM 1557 CB TYR A 118 -13.560 0.757 1.098 1.00 0.00 C ATOM 1558 CG TYR A 118 -13.600 0.270 -0.348 1.00 0.00 C ATOM 1559 CD1 TYR A 118 -14.682 0.612 -1.169 1.00 0.00 C ATOM 1560 CD2 TYR A 118 -12.573 -0.530 -0.894 1.00 0.00 C ATOM 1561 CE1 TYR A 118 -14.720 0.204 -2.507 1.00 0.00 C ATOM 1562 CE2 TYR A 118 -12.629 -0.976 -2.234 1.00 0.00 C ATOM 1563 CZ TYR A 118 -13.710 -0.602 -3.050 1.00 0.00 C ATOM 1564 OH TYR A 118 -13.803 -0.969 -4.353 1.00 0.00 O ATOM 0 H TYR A 118 -13.090 2.752 3.243 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.737 2.735 0.364 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.576 0.527 1.506 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -14.286 0.179 1.670 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -15.495 1.197 -0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -11.730 -0.806 -0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -15.543 0.516 -3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -11.843 -1.602 -2.630 1.00 0.00 H new ATOM 0 HH TYR A 118 -13.374 -1.841 -4.479 1.00 0.00 H new ATOM 1574 N GLN A 119 -15.552 3.607 2.632 1.00 0.00 N ATOM 1575 CA GLN A 119 -16.932 3.954 2.995 1.00 0.00 C ATOM 1576 C GLN A 119 -17.858 4.463 1.872 1.00 0.00 C ATOM 1577 O GLN A 119 -19.021 4.057 1.836 1.00 0.00 O ATOM 1578 CB GLN A 119 -17.053 4.846 4.243 1.00 0.00 C ATOM 1579 CG GLN A 119 -16.653 6.324 4.177 1.00 0.00 C ATOM 1580 CD GLN A 119 -15.213 6.529 4.625 1.00 0.00 C ATOM 1581 OE1 GLN A 119 -14.912 6.625 5.812 1.00 0.00 O ATOM 1582 NE2 GLN A 119 -14.305 6.653 3.680 1.00 0.00 N ATOM 0 H GLN A 119 -14.835 4.167 3.093 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.315 2.963 3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -18.093 4.807 4.568 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.455 4.384 5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -16.774 6.690 3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -17.319 6.912 4.808 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -14.574 6.570 2.700 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -13.332 6.832 3.928 1.00 0.00 H new ATOM 1591 N THR A 120 -17.412 5.380 1.001 1.00 0.00 N ATOM 1592 CA THR A 120 -18.358 6.129 0.135 1.00 0.00 C ATOM 1593 C THR A 120 -18.907 5.217 -0.986 1.00 0.00 C ATOM 1594 O THR A 120 -18.564 4.040 -1.032 1.00 0.00 O ATOM 1595 CB THR A 120 -17.749 7.460 -0.376 1.00 0.00 C ATOM 1596 OG1 THR A 120 -17.156 7.286 -1.644 1.00 0.00 O ATOM 1597 CG2 THR A 120 -16.756 8.080 0.614 1.00 0.00 C ATOM 0 H THR A 120 -16.430 5.623 0.872 1.00 0.00 H new ATOM 0 HA THR A 120 -19.217 6.429 0.735 1.00 0.00 H new ATOM 0 HB THR A 120 -18.574 8.166 -0.469 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.779 8.138 -1.949 1.00 0.00 H new ATOM 0 HG21 THR A 120 -16.363 9.009 0.201 1.00 0.00 H new ATOM 0 HG22 THR A 120 -17.263 8.287 1.556 1.00 0.00 H new ATOM 0 HG23 THR A 120 -15.935 7.385 0.789 1.00 0.00 H new ATOM 1605 N ARG A 121 -19.721 5.699 -1.937 1.00 0.00 N ATOM 1606 CA ARG A 121 -20.094 4.921 -3.141 1.00 0.00 C ATOM 1607 C ARG A 121 -18.996 4.974 -4.196 1.00 0.00 C ATOM 1608 O ARG A 121 -18.913 4.113 -5.064 1.00 0.00 O ATOM 1609 CB ARG A 121 -21.437 5.442 -3.709 1.00 0.00 C ATOM 1610 CG ARG A 121 -21.431 6.462 -4.864 1.00 0.00 C ATOM 1611 CD ARG A 121 -21.177 5.844 -6.255 1.00 0.00 C ATOM 1612 NE ARG A 121 -22.181 6.261 -7.251 1.00 0.00 N ATOM 1613 CZ ARG A 121 -22.325 5.778 -8.491 1.00 0.00 C ATOM 1614 NH1 ARG A 121 -21.496 4.882 -9.010 1.00 0.00 N ATOM 1615 NH2 ARG A 121 -23.334 6.187 -9.249 1.00 0.00 N ATOM 0 H ARG A 121 -20.139 6.629 -1.900 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.216 3.877 -2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.008 4.575 -4.042 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.989 5.889 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.389 6.981 -4.880 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -20.665 7.212 -4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -20.185 6.133 -6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -21.182 4.757 -6.172 1.00 0.00 H new ATOM 0 HE ARG A 121 -22.832 6.992 -6.966 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -20.711 4.534 -8.459 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -21.643 4.541 -9.960 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.000 6.869 -8.887 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -23.444 5.819 -10.194 1.00 0.00 H new ATOM 1629 N SER A 122 -18.188 6.016 -4.164 1.00 0.00 N ATOM 1630 CA SER A 122 -17.279 6.395 -5.219 1.00 0.00 C ATOM 1631 C SER A 122 -15.962 5.622 -5.065 1.00 0.00 C ATOM 1632 O SER A 122 -15.294 5.352 -6.059 1.00 0.00 O ATOM 1633 CB SER A 122 -17.169 7.922 -5.096 1.00 0.00 C ATOM 1634 OG SER A 122 -17.475 8.529 -6.330 1.00 0.00 O ATOM 0 H SER A 122 -18.149 6.647 -3.364 1.00 0.00 H new ATOM 0 HA SER A 122 -17.610 6.143 -6.226 1.00 0.00 H new ATOM 0 HB2 SER A 122 -17.850 8.283 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 122 -16.161 8.198 -4.786 1.00 0.00 H new ATOM 0 HG SER A 122 -17.404 9.502 -6.242 1.00 0.00 H new ATOM 1640 N GLN A 123 -15.659 5.130 -3.855 1.00 0.00 N ATOM 1641 CA GLN A 123 -14.516 4.259 -3.590 1.00 0.00 C ATOM 1642 C GLN A 123 -14.551 3.019 -4.511 1.00 0.00 C ATOM 1643 O GLN A 123 -13.505 2.565 -4.960 1.00 0.00 O ATOM 1644 CB GLN A 123 -14.451 3.823 -2.115 1.00 0.00 C ATOM 1645 CG GLN A 123 -14.899 4.808 -1.039 1.00 0.00 C ATOM 1646 CD GLN A 123 -13.782 5.458 -0.225 1.00 0.00 C ATOM 1647 OE1 GLN A 123 -12.754 5.903 -0.708 1.00 0.00 O ATOM 1648 NE2 GLN A 123 -14.020 5.517 1.073 1.00 0.00 N ATOM 0 H GLN A 123 -16.213 5.332 -3.023 1.00 0.00 H new ATOM 0 HA GLN A 123 -13.617 4.837 -3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -15.055 2.922 -2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -13.420 3.543 -1.898 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -15.482 5.597 -1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -15.567 4.288 -0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -14.888 5.137 1.450 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -13.336 5.943 1.698 1.00 0.00 H new ATOM 1657 N LYS A 124 -15.738 2.500 -4.867 1.00 0.00 N ATOM 1658 CA LYS A 124 -15.946 1.348 -5.767 1.00 0.00 C ATOM 1659 C LYS A 124 -15.459 1.608 -7.203 1.00 0.00 C ATOM 1660 O LYS A 124 -15.550 0.732 -8.066 1.00 0.00 O ATOM 1661 CB LYS A 124 -17.466 0.998 -5.800 1.00 0.00 C ATOM 1662 CG LYS A 124 -18.014 0.184 -4.611 1.00 0.00 C ATOM 1663 CD LYS A 124 -19.460 0.558 -4.211 1.00 0.00 C ATOM 1664 CE LYS A 124 -19.665 0.317 -2.706 1.00 0.00 C ATOM 1665 NZ LYS A 124 -21.007 0.713 -2.227 1.00 0.00 N ATOM 0 H LYS A 124 -16.617 2.886 -4.522 1.00 0.00 H new ATOM 0 HA LYS A 124 -15.356 0.521 -5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -18.029 1.929 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -17.667 0.441 -6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -17.979 -0.876 -4.862 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -17.360 0.330 -3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -19.654 1.603 -4.451 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -20.171 -0.038 -4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -19.507 -0.740 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -18.910 0.873 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -21.081 0.525 -1.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -21.153 1.727 -2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -21.732 0.165 -2.733 1.00 0.00 H new ATOM 1679 N ARG A 125 -14.991 2.819 -7.476 1.00 0.00 N ATOM 1680 CA ARG A 125 -14.550 3.350 -8.760 1.00 0.00 C ATOM 1681 C ARG A 125 -13.251 4.110 -8.639 1.00 0.00 C ATOM 1682 O ARG A 125 -12.753 4.655 -9.617 1.00 0.00 O ATOM 1683 CB ARG A 125 -15.611 4.358 -9.199 1.00 0.00 C ATOM 1684 CG ARG A 125 -16.153 4.178 -10.615 1.00 0.00 C ATOM 1685 CD ARG A 125 -16.546 2.730 -10.924 1.00 0.00 C ATOM 1686 NE ARG A 125 -17.588 2.633 -11.958 1.00 0.00 N ATOM 1687 CZ ARG A 125 -18.684 1.864 -11.888 1.00 0.00 C ATOM 1688 NH1 ARG A 125 -18.809 0.944 -10.937 1.00 0.00 N ATOM 1689 NH2 ARG A 125 -19.670 2.002 -12.762 1.00 0.00 N ATOM 0 H ARG A 125 -14.902 3.518 -6.738 1.00 0.00 H new ATOM 0 HA ARG A 125 -14.409 2.524 -9.457 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.446 4.305 -8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -15.190 5.360 -9.116 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -17.022 4.822 -10.750 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -15.399 4.505 -11.331 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -15.663 2.180 -11.251 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -16.900 2.251 -10.011 1.00 0.00 H new ATOM 0 HE ARG A 125 -17.466 3.198 -12.798 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -18.066 0.817 -10.250 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -19.648 0.365 -10.894 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -19.602 2.701 -13.502 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -20.497 1.409 -12.695 1.00 0.00 H new ATOM 1703 N GLU A 126 -12.759 4.216 -7.424 1.00 0.00 N ATOM 1704 CA GLU A 126 -11.490 4.805 -7.098 1.00 0.00 C ATOM 1705 C GLU A 126 -10.576 3.710 -6.602 1.00 0.00 C ATOM 1706 O GLU A 126 -9.669 3.330 -7.327 1.00 0.00 O ATOM 1707 CB GLU A 126 -11.702 5.895 -6.051 1.00 0.00 C ATOM 1708 CG GLU A 126 -12.223 7.176 -6.687 1.00 0.00 C ATOM 1709 CD GLU A 126 -13.048 7.999 -5.696 1.00 0.00 C ATOM 1710 OE1 GLU A 126 -12.685 8.085 -4.502 1.00 0.00 O ATOM 1711 OE2 GLU A 126 -14.109 8.533 -6.095 1.00 0.00 O ATOM 0 H GLU A 126 -13.260 3.877 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.029 5.271 -7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -12.408 5.547 -5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -10.762 6.097 -5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -11.384 7.772 -7.047 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -12.835 6.930 -7.555 1.00 0.00 H new ATOM 1718 N VAL A 127 -10.838 3.168 -5.414 1.00 0.00 N ATOM 1719 CA VAL A 127 -10.100 2.064 -4.822 1.00 0.00 C ATOM 1720 C VAL A 127 -9.974 0.952 -5.846 1.00 0.00 C ATOM 1721 O VAL A 127 -8.862 0.576 -6.206 1.00 0.00 O ATOM 1722 CB VAL A 127 -10.754 1.576 -3.519 1.00 0.00 C ATOM 1723 CG1 VAL A 127 -9.846 0.492 -2.924 1.00 0.00 C ATOM 1724 CG2 VAL A 127 -10.863 2.713 -2.499 1.00 0.00 C ATOM 0 H VAL A 127 -11.598 3.500 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 127 -9.102 2.406 -4.546 1.00 0.00 H new ATOM 0 HB VAL A 127 -11.754 1.202 -3.737 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -10.281 0.122 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -9.749 -0.331 -3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -8.861 0.913 -2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -11.329 2.340 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -9.867 3.092 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -11.470 3.517 -2.914 1.00 0.00 H new ATOM 1734 N ASP A 128 -11.109 0.452 -6.337 1.00 0.00 N ATOM 1735 CA ASP A 128 -11.113 -0.629 -7.312 1.00 0.00 C ATOM 1736 C ASP A 128 -10.402 -0.265 -8.622 1.00 0.00 C ATOM 1737 O ASP A 128 -10.041 -1.171 -9.375 1.00 0.00 O ATOM 1738 CB ASP A 128 -12.553 -1.081 -7.580 1.00 0.00 C ATOM 1739 CG ASP A 128 -12.687 -2.570 -7.297 1.00 0.00 C ATOM 1740 OD1 ASP A 128 -12.284 -3.378 -8.162 1.00 0.00 O ATOM 1741 OD2 ASP A 128 -13.158 -2.934 -6.191 1.00 0.00 O ATOM 0 H ASP A 128 -12.037 0.782 -6.072 1.00 0.00 H new ATOM 0 HA ASP A 128 -10.544 -1.453 -6.881 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -13.243 -0.518 -6.951 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -12.823 -0.873 -8.615 1.00 0.00 H new ATOM 1746 N ASP A 129 -10.208 1.029 -8.891 1.00 0.00 N ATOM 1747 CA ASP A 129 -9.584 1.567 -10.095 1.00 0.00 C ATOM 1748 C ASP A 129 -8.066 1.599 -9.964 1.00 0.00 C ATOM 1749 O ASP A 129 -7.369 1.189 -10.882 1.00 0.00 O ATOM 1750 CB ASP A 129 -10.102 2.973 -10.397 1.00 0.00 C ATOM 1751 CG ASP A 129 -10.040 3.265 -11.894 1.00 0.00 C ATOM 1752 OD1 ASP A 129 -10.753 2.577 -12.660 1.00 0.00 O ATOM 1753 OD2 ASP A 129 -9.310 4.191 -12.310 1.00 0.00 O ATOM 0 H ASP A 129 -10.497 1.761 -8.242 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.849 0.906 -10.920 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -11.129 3.070 -10.045 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.508 3.708 -9.854 1.00 0.00 H new ATOM 1758 N TYR A 130 -7.536 2.023 -8.811 1.00 0.00 N ATOM 1759 CA TYR A 130 -6.094 2.044 -8.549 1.00 0.00 C ATOM 1760 C TYR A 130 -5.526 0.619 -8.583 1.00 0.00 C ATOM 1761 O TYR A 130 -4.417 0.399 -9.074 1.00 0.00 O ATOM 1762 CB TYR A 130 -5.799 2.730 -7.208 1.00 0.00 C ATOM 1763 CG TYR A 130 -6.404 4.110 -7.033 1.00 0.00 C ATOM 1764 CD1 TYR A 130 -6.042 5.168 -7.883 1.00 0.00 C ATOM 1765 CD2 TYR A 130 -7.344 4.340 -6.017 1.00 0.00 C ATOM 1766 CE1 TYR A 130 -6.650 6.426 -7.755 1.00 0.00 C ATOM 1767 CE2 TYR A 130 -7.961 5.593 -5.876 1.00 0.00 C ATOM 1768 CZ TYR A 130 -7.625 6.639 -6.755 1.00 0.00 C ATOM 1769 OH TYR A 130 -8.304 7.810 -6.676 1.00 0.00 O ATOM 0 H TYR A 130 -8.098 2.362 -8.031 1.00 0.00 H new ATOM 0 HA TYR A 130 -5.603 2.622 -9.332 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.162 2.089 -6.404 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.718 2.809 -7.090 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -5.289 5.012 -8.642 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -7.596 3.542 -5.334 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -6.373 7.231 -8.420 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -8.691 5.753 -5.096 1.00 0.00 H new ATOM 0 HH TYR A 130 -8.934 7.773 -5.926 1.00 0.00 H new ATOM 1779 N VAL A 131 -6.295 -0.383 -8.136 1.00 0.00 N ATOM 1780 CA VAL A 131 -5.908 -1.793 -8.257 1.00 0.00 C ATOM 1781 C VAL A 131 -5.861 -2.232 -9.732 1.00 0.00 C ATOM 1782 O VAL A 131 -5.276 -3.266 -10.041 1.00 0.00 O ATOM 1783 CB VAL A 131 -6.859 -2.699 -7.440 1.00 0.00 C ATOM 1784 CG1 VAL A 131 -6.328 -4.140 -7.363 1.00 0.00 C ATOM 1785 CG2 VAL A 131 -7.033 -2.249 -5.986 1.00 0.00 C ATOM 0 H VAL A 131 -7.198 -0.239 -7.683 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.904 -1.900 -7.846 1.00 0.00 H new ATOM 0 HB VAL A 131 -7.810 -2.634 -7.969 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.019 -4.752 -6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -6.239 -4.549 -8.369 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.350 -4.142 -6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.712 -2.930 -5.473 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.065 -2.256 -5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -7.445 -1.240 -5.964 1.00 0.00 H new ATOM 1795 N ALA A 132 -6.464 -1.485 -10.656 1.00 0.00 N ATOM 1796 CA ALA A 132 -6.445 -1.738 -12.088 1.00 0.00 C ATOM 1797 C ALA A 132 -5.540 -0.746 -12.833 1.00 0.00 C ATOM 1798 O ALA A 132 -5.458 -0.817 -14.060 1.00 0.00 O ATOM 1799 CB ALA A 132 -7.884 -1.694 -12.608 1.00 0.00 C ATOM 0 H ALA A 132 -7.001 -0.653 -10.412 1.00 0.00 H new ATOM 0 HA ALA A 132 -6.022 -2.725 -12.274 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -7.889 -1.882 -13.682 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -8.477 -2.457 -12.103 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -8.313 -0.712 -12.410 1.00 0.00 H new ATOM 1805 N GLY A 133 -4.856 0.166 -12.136 1.00 0.00 N ATOM 1806 CA GLY A 133 -3.948 1.146 -12.725 1.00 0.00 C ATOM 1807 C GLY A 133 -2.495 0.931 -12.304 1.00 0.00 C ATOM 1808 O GLY A 133 -1.607 1.630 -12.795 1.00 0.00 O ATOM 0 H GLY A 133 -4.922 0.242 -11.121 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -4.019 1.094 -13.811 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -4.262 2.148 -12.433 1.00 0.00 H new ATOM 1812 N LEU A 134 -2.229 0.006 -11.376 1.00 0.00 N ATOM 1813 CA LEU A 134 -0.875 -0.390 -10.997 1.00 0.00 C ATOM 1814 C LEU A 134 -0.305 -1.378 -12.022 1.00 0.00 C ATOM 1815 O LEU A 134 -1.014 -1.867 -12.902 1.00 0.00 O ATOM 1816 CB LEU A 134 -0.845 -0.892 -9.539 1.00 0.00 C ATOM 1817 CG LEU A 134 -1.593 -2.206 -9.223 1.00 0.00 C ATOM 1818 CD1 LEU A 134 -0.781 -3.450 -9.596 1.00 0.00 C ATOM 1819 CD2 LEU A 134 -1.886 -2.254 -7.716 1.00 0.00 C ATOM 0 H LEU A 134 -2.957 -0.492 -10.864 1.00 0.00 H new ATOM 0 HA LEU A 134 -0.212 0.475 -11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 134 0.198 -1.020 -9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -1.259 -0.108 -8.905 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.508 -2.214 -9.815 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -1.354 -4.345 -9.353 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.565 -3.437 -10.664 1.00 0.00 H new ATOM 0 HD13 LEU A 134 0.155 -3.455 -9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -2.414 -3.177 -7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -0.948 -2.219 -7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -2.504 -1.400 -7.438 1.00 0.00 H new ATOM 1831 N ARG A 135 0.991 -1.659 -11.913 1.00 0.00 N ATOM 1832 CA ARG A 135 1.741 -2.637 -12.700 1.00 0.00 C ATOM 1833 C ARG A 135 2.403 -3.587 -11.711 1.00 0.00 C ATOM 1834 O ARG A 135 2.587 -3.213 -10.555 1.00 0.00 O ATOM 1835 CB ARG A 135 2.808 -1.898 -13.533 1.00 0.00 C ATOM 1836 CG ARG A 135 2.193 -1.065 -14.664 1.00 0.00 C ATOM 1837 CD ARG A 135 3.161 -0.013 -15.217 1.00 0.00 C ATOM 1838 NE ARG A 135 2.934 0.167 -16.659 1.00 0.00 N ATOM 1839 CZ ARG A 135 3.654 -0.330 -17.670 1.00 0.00 C ATOM 1840 NH1 ARG A 135 4.909 -0.731 -17.499 1.00 0.00 N ATOM 1841 NH2 ARG A 135 3.092 -0.437 -18.869 1.00 0.00 N ATOM 0 H ARG A 135 1.582 -1.182 -11.232 1.00 0.00 H new ATOM 0 HA ARG A 135 1.095 -3.189 -13.382 1.00 0.00 H new ATOM 0 HB2 ARG A 135 3.388 -1.246 -12.880 1.00 0.00 H new ATOM 0 HB3 ARG A 135 3.502 -2.624 -13.956 1.00 0.00 H new ATOM 0 HG2 ARG A 135 1.884 -1.728 -15.472 1.00 0.00 H new ATOM 0 HG3 ARG A 135 1.294 -0.569 -14.297 1.00 0.00 H new ATOM 0 HD2 ARG A 135 3.019 0.934 -14.697 1.00 0.00 H new ATOM 0 HD3 ARG A 135 4.190 -0.324 -15.038 1.00 0.00 H new ATOM 0 HE ARG A 135 2.131 0.740 -16.919 1.00 0.00 H new ATOM 0 HH11 ARG A 135 5.345 -0.663 -16.579 1.00 0.00 H new ATOM 0 HH12 ARG A 135 5.436 -1.107 -18.287 1.00 0.00 H new ATOM 0 HH21 ARG A 135 2.125 -0.142 -19.007 1.00 0.00 H new ATOM 0 HH22 ARG A 135 3.627 -0.814 -19.651 1.00 0.00 H new ATOM 1855 N THR A 136 2.848 -4.759 -12.155 1.00 0.00 N ATOM 1856 CA THR A 136 3.420 -5.777 -11.270 1.00 0.00 C ATOM 1857 C THR A 136 4.734 -6.340 -11.824 1.00 0.00 C ATOM 1858 O THR A 136 5.251 -7.333 -11.313 1.00 0.00 O ATOM 1859 CB THR A 136 2.357 -6.857 -11.002 1.00 0.00 C ATOM 1860 OG1 THR A 136 1.109 -6.262 -10.703 1.00 0.00 O ATOM 1861 CG2 THR A 136 2.701 -7.817 -9.857 1.00 0.00 C ATOM 0 H THR A 136 2.824 -5.033 -13.137 1.00 0.00 H new ATOM 0 HA THR A 136 3.690 -5.326 -10.315 1.00 0.00 H new ATOM 0 HB THR A 136 2.318 -7.440 -11.922 1.00 0.00 H new ATOM 0 HG1 THR A 136 0.444 -6.962 -10.537 1.00 0.00 H new ATOM 0 HG21 THR A 136 1.898 -8.544 -9.738 1.00 0.00 H new ATOM 0 HG22 THR A 136 3.631 -8.338 -10.086 1.00 0.00 H new ATOM 0 HG23 THR A 136 2.819 -7.253 -8.932 1.00 0.00 H new ATOM 1869 N GLU A 137 5.292 -5.707 -12.859 1.00 0.00 N ATOM 1870 CA GLU A 137 6.229 -6.326 -13.791 1.00 0.00 C ATOM 1871 C GLU A 137 5.587 -7.601 -14.347 1.00 0.00 C ATOM 1872 O GLU A 137 6.266 -8.634 -14.545 1.00 0.00 O ATOM 1873 CB GLU A 137 7.616 -6.522 -13.138 1.00 0.00 C ATOM 1874 CG GLU A 137 8.444 -5.230 -13.071 1.00 0.00 C ATOM 1875 CD GLU A 137 9.508 -5.224 -14.169 1.00 0.00 C ATOM 1876 OE1 GLU A 137 10.614 -5.760 -13.928 1.00 0.00 O ATOM 1877 OE2 GLU A 137 9.230 -4.723 -15.283 1.00 0.00 O ATOM 0 H GLU A 137 5.099 -4.729 -13.074 1.00 0.00 H new ATOM 0 HA GLU A 137 6.428 -5.674 -14.642 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.483 -6.913 -12.129 1.00 0.00 H new ATOM 0 HB3 GLU A 137 8.172 -7.273 -13.700 1.00 0.00 H new ATOM 0 HG2 GLU A 137 7.790 -4.365 -13.184 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.920 -5.145 -12.094 1.00 0.00 H new TER 1884 GLU A 137