USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 824 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 94 ASN : amide:sc= -2.29! K(o=-3.6!,f=0.6) USER MOD Set 1.2: A 97 ASN : amide:sc= -1.34! K(o=-3.6!,f=0.16) USER MOD Set 2.1: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 78 TYR OH : rot 180:sc= 0.896 USER MOD Set 3.1: A 76 ASN : amide:sc= -0.0849 K(o=1.1,f=-0.23) USER MOD Set 3.2: A 112 HIS : no HD1:sc= 1.15 K(o=1.1,f=-7.7!) USER MOD Set 4.1: A 39 ASN : amide:sc= 2.26 K(o=3.5,f=-1.5) USER MOD Set 4.2: A 53 THR OG1 : rot -71:sc= 1.21 USER MOD Set 5.1: A 9 SER OG : rot 180:sc=0.000721 USER MOD Set 5.2: A 26 THR OG1 : rot 134:sc=0.000171 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.00279) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.484 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 19 THR OG1 : rot -104:sc= 0.0193 USER MOD Single : A 21 ASN : amide:sc= 1.23 K(o=1.2,f=-2.9!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -139:sc= -0.933 (180deg=-4.52!) USER MOD Single : A 24 THR OG1 : rot -81:sc= 1.25 USER MOD Single : A 29 ASN : amide:sc= -2.15! C(o=-2.2!,f=-3.4!) USER MOD Single : A 30 GLN : amide:sc= 0.621 K(o=0.62,f=-2.3) USER MOD Single : A 32 ASN : amide:sc= -1.71 X(o=-1.7,f=-1.7) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -0:sc= -1.05! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0589 USER MOD Single : A 37 SER OG : rot -30:sc= 1.26 USER MOD Single : A 41 SER OG : rot 180:sc= -0.617 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2! C(o=-2!,f=-6.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 22:sc= 1.18 USER MOD Single : A 59 SER OG : rot -80:sc= 1.08 USER MOD Single : A 61 ASN : amide:sc= 0.0663 K(o=0.066,f=-7.6!) USER MOD Single : A 62 SER OG : rot 19:sc= 0.849 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc=-0.000166 K(o=-0.00017,f=-0.98) USER MOD Single : A 68 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 111:sc= 0.902 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.0792 X(o=-0.079,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.525! X(o=-0.53!,f=-0.18) USER MOD Single : A 91 ASN : amide:sc= -1.3 K(o=-1.3,f=-3!) USER MOD Single : A 96 SER OG : rot -22:sc= 0.708 USER MOD Single : A 98 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0028) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot -160:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.0025) USER MOD Single : A 110 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.01) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 114 HIS : no HE2:sc= 0.82 K(o=0.82,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.766 14.862 -7.875 1.00 0.00 N ATOM 2 CA MET A 1 -14.317 14.583 -7.797 1.00 0.00 C ATOM 3 C MET A 1 -14.030 13.586 -6.686 1.00 0.00 C ATOM 4 O MET A 1 -14.015 13.941 -5.506 1.00 0.00 O ATOM 5 CB MET A 1 -13.520 15.869 -7.548 1.00 0.00 C ATOM 6 CG MET A 1 -13.516 16.829 -8.723 1.00 0.00 C ATOM 7 SD MET A 1 -12.497 18.288 -8.424 1.00 0.00 S ATOM 8 CE MET A 1 -12.658 19.128 -9.998 1.00 0.00 C ATOM 0 H1 MET A 1 -15.949 15.532 -8.649 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.281 13.976 -8.054 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.089 15.275 -6.977 1.00 0.00 H new ATOM 0 HA MET A 1 -14.008 14.160 -8.753 1.00 0.00 H new ATOM 0 HB2 MET A 1 -13.934 16.378 -6.677 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.491 15.605 -7.304 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.151 16.311 -9.610 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.538 17.142 -8.935 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.083 20.054 -9.977 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.281 18.485 -10.794 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.708 19.357 -10.183 1.00 0.00 H new ATOM 20 N ILE A 2 -13.842 12.336 -7.063 1.00 0.00 N ATOM 21 CA ILE A 2 -13.446 11.312 -6.119 1.00 0.00 C ATOM 22 C ILE A 2 -12.046 10.825 -6.478 1.00 0.00 C ATOM 23 O ILE A 2 -11.690 10.762 -7.659 1.00 0.00 O ATOM 24 CB ILE A 2 -14.463 10.130 -6.093 1.00 0.00 C ATOM 25 CG1 ILE A 2 -14.815 9.764 -4.651 1.00 0.00 C ATOM 26 CG2 ILE A 2 -13.934 8.898 -6.820 1.00 0.00 C ATOM 27 CD1 ILE A 2 -15.846 8.661 -4.540 1.00 0.00 C ATOM 0 H ILE A 2 -13.958 12.005 -8.021 1.00 0.00 H new ATOM 0 HA ILE A 2 -13.437 11.738 -5.116 1.00 0.00 H new ATOM 0 HB ILE A 2 -15.358 10.467 -6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.908 9.455 -4.132 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -15.188 10.652 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.677 8.102 -6.775 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -13.733 9.148 -7.862 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.013 8.562 -6.344 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -16.046 8.455 -3.489 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -16.768 8.974 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.467 7.759 -5.021 1.00 0.00 H new ATOM 39 N PRO A 3 -11.214 10.533 -5.476 1.00 0.00 N ATOM 40 CA PRO A 3 -9.898 9.947 -5.698 1.00 0.00 C ATOM 41 C PRO A 3 -10.015 8.503 -6.159 1.00 0.00 C ATOM 42 O PRO A 3 -11.038 7.852 -5.939 1.00 0.00 O ATOM 43 CB PRO A 3 -9.216 10.019 -4.324 1.00 0.00 C ATOM 44 CG PRO A 3 -10.089 10.898 -3.490 1.00 0.00 C ATOM 45 CD PRO A 3 -11.471 10.759 -4.051 1.00 0.00 C ATOM 0 HA PRO A 3 -9.339 10.470 -6.474 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.120 9.028 -3.881 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.210 10.430 -4.406 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.061 10.596 -2.443 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.753 11.934 -3.532 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -12.011 9.927 -3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.069 11.655 -3.884 1.00 0.00 H new ATOM 53 N ASP A 4 -8.989 8.016 -6.825 1.00 0.00 N ATOM 54 CA ASP A 4 -8.940 6.633 -7.233 1.00 0.00 C ATOM 55 C ASP A 4 -7.576 6.115 -6.853 1.00 0.00 C ATOM 56 O ASP A 4 -6.620 6.249 -7.612 1.00 0.00 O ATOM 57 CB ASP A 4 -9.177 6.507 -8.745 1.00 0.00 C ATOM 58 CG ASP A 4 -9.470 5.086 -9.203 1.00 0.00 C ATOM 59 OD1 ASP A 4 -8.528 4.353 -9.556 1.00 0.00 O ATOM 60 OD2 ASP A 4 -10.664 4.712 -9.263 1.00 0.00 O ATOM 0 H ASP A 4 -8.173 8.565 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.721 6.052 -6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.011 7.149 -9.028 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.298 6.875 -9.273 1.00 0.00 H new ATOM 65 N LEU A 5 -7.469 5.554 -5.664 1.00 0.00 N ATOM 66 CA LEU A 5 -6.170 5.166 -5.160 1.00 0.00 C ATOM 67 C LEU A 5 -6.006 3.692 -5.379 1.00 0.00 C ATOM 68 O LEU A 5 -6.826 2.898 -4.947 1.00 0.00 O ATOM 69 CB LEU A 5 -6.069 5.454 -3.657 1.00 0.00 C ATOM 70 CG LEU A 5 -6.243 6.914 -3.244 1.00 0.00 C ATOM 71 CD1 LEU A 5 -6.366 7.026 -1.732 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.071 7.742 -3.733 1.00 0.00 C ATOM 0 H LEU A 5 -8.252 5.360 -5.040 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.396 5.731 -5.680 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.822 4.859 -3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.096 5.111 -3.306 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.157 7.295 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.489 8.073 -1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.232 6.456 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.465 6.630 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.208 8.780 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.148 7.357 -3.300 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.013 7.684 -4.820 1.00 0.00 H new ATOM 84 N VAL A 6 -4.923 3.332 -6.025 1.00 0.00 N ATOM 85 CA VAL A 6 -4.725 1.963 -6.425 1.00 0.00 C ATOM 86 C VAL A 6 -3.398 1.440 -5.901 1.00 0.00 C ATOM 87 O VAL A 6 -2.396 2.159 -5.907 1.00 0.00 O ATOM 88 CB VAL A 6 -4.757 1.862 -7.969 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.851 0.415 -8.429 1.00 0.00 C ATOM 90 CG2 VAL A 6 -5.908 2.692 -8.536 1.00 0.00 C ATOM 0 H VAL A 6 -4.168 3.967 -6.284 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.527 1.356 -6.005 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.820 2.266 -8.352 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.871 0.380 -9.518 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.986 -0.140 -8.064 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.763 -0.034 -8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.915 2.609 -9.623 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.853 2.323 -8.138 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.778 3.736 -8.252 1.00 0.00 H new ATOM 100 N PRO A 7 -3.363 0.188 -5.450 1.00 0.00 N ATOM 101 CA PRO A 7 -2.133 -0.503 -5.165 1.00 0.00 C ATOM 102 C PRO A 7 -1.675 -1.257 -6.405 1.00 0.00 C ATOM 103 O PRO A 7 -2.221 -2.298 -6.766 1.00 0.00 O ATOM 104 CB PRO A 7 -2.506 -1.442 -4.022 1.00 0.00 C ATOM 105 CG PRO A 7 -4.009 -1.522 -4.018 1.00 0.00 C ATOM 106 CD PRO A 7 -4.518 -0.652 -5.142 1.00 0.00 C ATOM 0 HA PRO A 7 -1.305 0.151 -4.892 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -2.064 -2.428 -4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.134 -1.064 -3.070 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.337 -2.552 -4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.407 -1.183 -3.062 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.829 -1.244 -6.003 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.380 -0.059 -4.836 1.00 0.00 H new ATOM 114 N VAL A 8 -0.681 -0.696 -7.054 1.00 0.00 N ATOM 115 CA VAL A 8 -0.316 -1.082 -8.407 1.00 0.00 C ATOM 116 C VAL A 8 0.518 -2.357 -8.413 1.00 0.00 C ATOM 117 O VAL A 8 0.217 -3.304 -9.144 1.00 0.00 O ATOM 118 CB VAL A 8 0.459 0.059 -9.105 1.00 0.00 C ATOM 119 CG1 VAL A 8 0.549 -0.169 -10.603 1.00 0.00 C ATOM 120 CG2 VAL A 8 -0.190 1.402 -8.815 1.00 0.00 C ATOM 0 H VAL A 8 -0.098 0.043 -6.662 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.238 -1.275 -8.956 1.00 0.00 H new ATOM 0 HB VAL A 8 1.472 0.064 -8.703 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.100 0.651 -11.063 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.067 -1.108 -10.798 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.455 -0.214 -11.025 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.370 2.192 -9.315 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.216 1.397 -9.182 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.190 1.582 -7.740 1.00 0.00 H new ATOM 130 N SER A 9 1.551 -2.382 -7.587 1.00 0.00 N ATOM 131 CA SER A 9 2.444 -3.525 -7.515 1.00 0.00 C ATOM 132 C SER A 9 3.180 -3.549 -6.182 1.00 0.00 C ATOM 133 O SER A 9 3.209 -2.545 -5.465 1.00 0.00 O ATOM 134 CB SER A 9 3.441 -3.479 -8.675 1.00 0.00 C ATOM 135 OG SER A 9 3.999 -2.179 -8.820 1.00 0.00 O ATOM 0 H SER A 9 1.792 -1.619 -6.954 1.00 0.00 H new ATOM 0 HA SER A 9 1.852 -4.437 -7.592 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.238 -4.203 -8.503 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.942 -3.769 -9.599 1.00 0.00 H new ATOM 0 HG SER A 9 4.634 -2.177 -9.567 1.00 0.00 H new ATOM 141 N LEU A 10 3.766 -4.692 -5.855 1.00 0.00 N ATOM 142 CA LEU A 10 4.563 -4.823 -4.646 1.00 0.00 C ATOM 143 C LEU A 10 5.932 -5.401 -4.992 1.00 0.00 C ATOM 144 O LEU A 10 6.034 -6.442 -5.644 1.00 0.00 O ATOM 145 CB LEU A 10 3.831 -5.737 -3.652 1.00 0.00 C ATOM 146 CG LEU A 10 4.631 -6.186 -2.426 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.940 -5.013 -1.510 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.870 -7.262 -1.670 1.00 0.00 C ATOM 0 H LEU A 10 3.703 -5.544 -6.413 1.00 0.00 H new ATOM 0 HA LEU A 10 4.704 -3.843 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.937 -5.219 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.497 -6.626 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 10 5.579 -6.598 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.509 -5.364 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.525 -4.271 -2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.008 -4.562 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.448 -7.574 -0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.908 -6.866 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.707 -8.119 -2.323 1.00 0.00 H new ATOM 160 N THR A 11 6.971 -4.704 -4.567 1.00 0.00 N ATOM 161 CA THR A 11 8.341 -5.151 -4.751 1.00 0.00 C ATOM 162 C THR A 11 9.052 -5.265 -3.404 1.00 0.00 C ATOM 163 O THR A 11 8.970 -4.358 -2.580 1.00 0.00 O ATOM 164 CB THR A 11 9.127 -4.226 -5.696 1.00 0.00 C ATOM 165 OG1 THR A 11 9.028 -2.866 -5.254 1.00 0.00 O ATOM 166 CG2 THR A 11 8.605 -4.342 -7.121 1.00 0.00 C ATOM 0 H THR A 11 6.888 -3.810 -4.083 1.00 0.00 H new ATOM 0 HA THR A 11 8.302 -6.136 -5.216 1.00 0.00 H new ATOM 0 HB THR A 11 10.173 -4.533 -5.681 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.533 -2.287 -5.862 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.175 -3.679 -7.772 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.713 -5.370 -7.465 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.553 -4.059 -7.147 1.00 0.00 H new ATOM 174 N PRO A 12 9.736 -6.379 -3.136 1.00 0.00 N ATOM 175 CA PRO A 12 9.892 -7.481 -4.077 1.00 0.00 C ATOM 176 C PRO A 12 8.799 -8.535 -3.942 1.00 0.00 C ATOM 177 O PRO A 12 7.935 -8.444 -3.073 1.00 0.00 O ATOM 178 CB PRO A 12 11.245 -8.052 -3.668 1.00 0.00 C ATOM 179 CG PRO A 12 11.326 -7.825 -2.192 1.00 0.00 C ATOM 180 CD PRO A 12 10.452 -6.638 -1.878 1.00 0.00 C ATOM 0 HA PRO A 12 9.826 -7.160 -5.116 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.316 -9.113 -3.909 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.060 -7.551 -4.190 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.988 -8.707 -1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.355 -7.637 -1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.761 -6.856 -1.063 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.045 -5.776 -1.572 1.00 0.00 H new ATOM 188 N VAL A 13 8.836 -9.528 -4.815 1.00 0.00 N ATOM 189 CA VAL A 13 7.888 -10.631 -4.741 1.00 0.00 C ATOM 190 C VAL A 13 8.524 -11.827 -4.035 1.00 0.00 C ATOM 191 O VAL A 13 7.850 -12.791 -3.672 1.00 0.00 O ATOM 192 CB VAL A 13 7.378 -11.041 -6.140 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.751 -9.847 -6.844 1.00 0.00 C ATOM 194 CG2 VAL A 13 8.497 -11.631 -6.981 1.00 0.00 C ATOM 0 H VAL A 13 9.508 -9.595 -5.580 1.00 0.00 H new ATOM 0 HA VAL A 13 7.028 -10.291 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 13 6.617 -11.811 -6.011 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.396 -10.151 -7.829 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.913 -9.476 -6.254 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.495 -9.058 -6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.108 -11.910 -7.960 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.289 -10.892 -7.103 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.898 -12.515 -6.485 1.00 0.00 H new ATOM 204 N THR A 14 9.834 -11.755 -3.854 1.00 0.00 N ATOM 205 CA THR A 14 10.563 -12.726 -3.067 1.00 0.00 C ATOM 206 C THR A 14 11.254 -12.025 -1.903 1.00 0.00 C ATOM 207 O THR A 14 11.628 -10.862 -2.022 1.00 0.00 O ATOM 208 CB THR A 14 11.606 -13.460 -3.925 1.00 0.00 C ATOM 209 OG1 THR A 14 12.072 -12.593 -4.975 1.00 0.00 O ATOM 210 CG2 THR A 14 11.036 -14.743 -4.518 1.00 0.00 C ATOM 0 H THR A 14 10.418 -11.019 -4.251 1.00 0.00 H new ATOM 0 HA THR A 14 9.855 -13.462 -2.686 1.00 0.00 H new ATOM 0 HB THR A 14 12.442 -13.733 -3.282 1.00 0.00 H new ATOM 0 HG1 THR A 14 12.738 -13.065 -5.518 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.800 -15.237 -5.119 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.722 -15.407 -3.713 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.178 -14.504 -5.147 1.00 0.00 H new ATOM 218 N VAL A 15 11.453 -12.729 -0.798 1.00 0.00 N ATOM 219 CA VAL A 15 11.982 -12.107 0.413 1.00 0.00 C ATOM 220 C VAL A 15 12.924 -13.041 1.156 1.00 0.00 C ATOM 221 O VAL A 15 12.844 -14.262 1.022 1.00 0.00 O ATOM 222 CB VAL A 15 10.847 -11.691 1.375 1.00 0.00 C ATOM 223 CG1 VAL A 15 10.111 -10.469 0.852 1.00 0.00 C ATOM 224 CG2 VAL A 15 9.876 -12.844 1.587 1.00 0.00 C ATOM 0 H VAL A 15 11.258 -13.727 -0.712 1.00 0.00 H new ATOM 0 HA VAL A 15 12.530 -11.222 0.089 1.00 0.00 H new ATOM 0 HB VAL A 15 11.296 -11.433 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.317 -10.197 1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.809 -9.638 0.755 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.678 -10.695 -0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.084 -12.532 2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.440 -13.133 0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.408 -13.694 2.015 1.00 0.00 H new ATOM 234 N VAL A 16 13.825 -12.459 1.932 1.00 0.00 N ATOM 235 CA VAL A 16 14.792 -13.224 2.683 1.00 0.00 C ATOM 236 C VAL A 16 14.421 -13.280 4.162 1.00 0.00 C ATOM 237 O VAL A 16 14.110 -12.259 4.774 1.00 0.00 O ATOM 238 CB VAL A 16 16.206 -12.631 2.530 1.00 0.00 C ATOM 239 CG1 VAL A 16 16.816 -13.033 1.195 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.182 -11.112 2.666 1.00 0.00 C ATOM 0 H VAL A 16 13.902 -11.449 2.055 1.00 0.00 H new ATOM 0 HA VAL A 16 14.787 -14.237 2.280 1.00 0.00 H new ATOM 0 HB VAL A 16 16.825 -13.034 3.331 1.00 0.00 H new ATOM 0 HG11 VAL A 16 17.814 -12.604 1.107 1.00 0.00 H new ATOM 0 HG12 VAL A 16 16.882 -14.119 1.137 1.00 0.00 H new ATOM 0 HG13 VAL A 16 16.190 -12.664 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.193 -10.721 2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 16 15.541 -10.688 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.795 -10.841 3.648 1.00 0.00 H new ATOM 250 N PRO A 17 14.415 -14.485 4.748 1.00 0.00 N ATOM 251 CA PRO A 17 14.179 -14.663 6.177 1.00 0.00 C ATOM 252 C PRO A 17 15.417 -14.311 7.001 1.00 0.00 C ATOM 253 O PRO A 17 16.493 -14.083 6.444 1.00 0.00 O ATOM 254 CB PRO A 17 13.851 -16.161 6.314 1.00 0.00 C ATOM 255 CG PRO A 17 13.820 -16.711 4.923 1.00 0.00 C ATOM 256 CD PRO A 17 14.618 -15.766 4.074 1.00 0.00 C ATOM 0 HA PRO A 17 13.385 -14.013 6.545 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.603 -16.670 6.917 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.892 -16.305 6.811 1.00 0.00 H new ATOM 0 HG2 PRO A 17 14.246 -17.714 4.893 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.795 -16.789 4.559 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.672 -16.043 4.039 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.260 -15.744 3.045 1.00 0.00 H new ATOM 264 N ASN A 18 15.248 -14.281 8.325 1.00 0.00 N ATOM 265 CA ASN A 18 16.336 -13.994 9.272 1.00 0.00 C ATOM 266 C ASN A 18 16.707 -12.512 9.262 1.00 0.00 C ATOM 267 O ASN A 18 17.803 -12.138 9.684 1.00 0.00 O ATOM 268 CB ASN A 18 17.590 -14.839 8.979 1.00 0.00 C ATOM 269 CG ASN A 18 17.352 -16.332 9.103 1.00 0.00 C ATOM 270 OD1 ASN A 18 17.514 -16.915 10.173 1.00 0.00 O ATOM 271 ND2 ASN A 18 16.981 -16.961 8.000 1.00 0.00 N ATOM 0 H ASN A 18 14.350 -14.455 8.776 1.00 0.00 H new ATOM 0 HA ASN A 18 15.963 -14.260 10.261 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.942 -14.617 7.971 1.00 0.00 H new ATOM 0 HB3 ASN A 18 18.385 -14.547 9.665 1.00 0.00 H new ATOM 0 HD21 ASN A 18 16.818 -17.968 8.017 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.858 -16.439 7.132 1.00 0.00 H new ATOM 278 N THR A 19 15.790 -11.667 8.803 1.00 0.00 N ATOM 279 CA THR A 19 16.039 -10.233 8.740 1.00 0.00 C ATOM 280 C THR A 19 14.737 -9.468 8.484 1.00 0.00 C ATOM 281 O THR A 19 13.659 -10.062 8.433 1.00 0.00 O ATOM 282 CB THR A 19 17.083 -9.893 7.645 1.00 0.00 C ATOM 283 OG1 THR A 19 17.457 -8.510 7.722 1.00 0.00 O ATOM 284 CG2 THR A 19 16.542 -10.197 6.255 1.00 0.00 C ATOM 0 H THR A 19 14.869 -11.951 8.470 1.00 0.00 H new ATOM 0 HA THR A 19 16.443 -9.924 9.704 1.00 0.00 H new ATOM 0 HB THR A 19 17.960 -10.516 7.820 1.00 0.00 H new ATOM 0 HG1 THR A 19 17.020 -8.012 7.000 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.296 -9.948 5.509 1.00 0.00 H new ATOM 0 HG22 THR A 19 16.296 -11.257 6.184 1.00 0.00 H new ATOM 0 HG23 THR A 19 15.645 -9.604 6.076 1.00 0.00 H new ATOM 292 N VAL A 20 14.844 -8.154 8.340 1.00 0.00 N ATOM 293 CA VAL A 20 13.690 -7.311 8.070 1.00 0.00 C ATOM 294 C VAL A 20 13.663 -6.933 6.594 1.00 0.00 C ATOM 295 O VAL A 20 14.677 -6.522 6.030 1.00 0.00 O ATOM 296 CB VAL A 20 13.703 -6.031 8.937 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.482 -5.166 8.655 1.00 0.00 C ATOM 298 CG2 VAL A 20 13.771 -6.386 10.415 1.00 0.00 C ATOM 0 H VAL A 20 15.726 -7.647 8.407 1.00 0.00 H new ATOM 0 HA VAL A 20 12.794 -7.878 8.324 1.00 0.00 H new ATOM 0 HB VAL A 20 14.593 -5.458 8.675 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.517 -4.273 9.279 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.477 -4.875 7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.577 -5.730 8.880 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.779 -5.472 11.009 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.902 -6.986 10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.680 -6.954 10.611 1.00 0.00 H new ATOM 308 N ASN A 21 12.504 -7.068 5.976 1.00 0.00 N ATOM 309 CA ASN A 21 12.366 -6.818 4.551 1.00 0.00 C ATOM 310 C ASN A 21 11.644 -5.506 4.313 1.00 0.00 C ATOM 311 O ASN A 21 10.639 -5.209 4.962 1.00 0.00 O ATOM 312 CB ASN A 21 11.617 -7.967 3.864 1.00 0.00 C ATOM 313 CG ASN A 21 12.454 -9.228 3.755 1.00 0.00 C ATOM 314 OD1 ASN A 21 13.126 -9.458 2.749 1.00 0.00 O ATOM 315 ND2 ASN A 21 12.419 -10.054 4.787 1.00 0.00 N ATOM 0 H ASN A 21 11.641 -7.351 6.440 1.00 0.00 H new ATOM 0 HA ASN A 21 13.365 -6.754 4.119 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.707 -8.187 4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.311 -7.651 2.867 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.961 -10.918 4.768 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.850 -9.828 5.602 1.00 0.00 H new ATOM 322 N THR A 22 12.169 -4.716 3.396 1.00 0.00 N ATOM 323 CA THR A 22 11.564 -3.448 3.054 1.00 0.00 C ATOM 324 C THR A 22 10.663 -3.624 1.839 1.00 0.00 C ATOM 325 O THR A 22 11.129 -3.652 0.698 1.00 0.00 O ATOM 326 CB THR A 22 12.639 -2.385 2.776 1.00 0.00 C ATOM 327 OG1 THR A 22 13.612 -2.408 3.834 1.00 0.00 O ATOM 328 CG2 THR A 22 12.024 -0.996 2.683 1.00 0.00 C ATOM 0 H THR A 22 13.018 -4.934 2.874 1.00 0.00 H new ATOM 0 HA THR A 22 10.966 -3.106 3.898 1.00 0.00 H new ATOM 0 HB THR A 22 13.115 -2.614 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.301 -1.733 3.660 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.807 -0.264 2.486 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.295 -0.974 1.873 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.529 -0.754 3.623 1.00 0.00 H new ATOM 336 N MET A 23 9.377 -3.788 2.099 1.00 0.00 N ATOM 337 CA MET A 23 8.417 -4.072 1.046 1.00 0.00 C ATOM 338 C MET A 23 7.860 -2.783 0.472 1.00 0.00 C ATOM 339 O MET A 23 7.190 -2.027 1.174 1.00 0.00 O ATOM 340 CB MET A 23 7.285 -4.947 1.585 1.00 0.00 C ATOM 341 CG MET A 23 7.774 -6.246 2.210 1.00 0.00 C ATOM 342 SD MET A 23 8.685 -7.286 1.055 1.00 0.00 S ATOM 343 CE MET A 23 7.410 -7.650 -0.145 1.00 0.00 C ATOM 0 H MET A 23 8.973 -3.729 3.034 1.00 0.00 H new ATOM 0 HA MET A 23 8.927 -4.612 0.248 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.722 -4.383 2.329 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.596 -5.179 0.773 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.412 -6.014 3.063 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.919 -6.802 2.594 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.479 -8.696 -0.443 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.431 -7.462 0.296 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.542 -7.014 -1.020 1.00 0.00 H new ATOM 353 N THR A 24 8.145 -2.542 -0.797 1.00 0.00 N ATOM 354 CA THR A 24 7.716 -1.332 -1.469 1.00 0.00 C ATOM 355 C THR A 24 6.383 -1.548 -2.190 1.00 0.00 C ATOM 356 O THR A 24 6.303 -2.298 -3.166 1.00 0.00 O ATOM 357 CB THR A 24 8.777 -0.875 -2.493 1.00 0.00 C ATOM 358 OG1 THR A 24 10.071 -0.809 -1.872 1.00 0.00 O ATOM 359 CG2 THR A 24 8.425 0.484 -3.074 1.00 0.00 C ATOM 0 H THR A 24 8.679 -3.180 -1.387 1.00 0.00 H new ATOM 0 HA THR A 24 7.588 -0.561 -0.709 1.00 0.00 H new ATOM 0 HB THR A 24 8.798 -1.606 -3.302 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.153 0.032 -1.376 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.189 0.782 -3.792 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.459 0.426 -3.575 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.374 1.220 -2.272 1.00 0.00 H new ATOM 367 N ALA A 25 5.337 -0.908 -1.690 1.00 0.00 N ATOM 368 CA ALA A 25 4.039 -0.944 -2.335 1.00 0.00 C ATOM 369 C ALA A 25 3.829 0.318 -3.157 1.00 0.00 C ATOM 370 O ALA A 25 3.855 1.428 -2.628 1.00 0.00 O ATOM 371 CB ALA A 25 2.935 -1.095 -1.301 1.00 0.00 C ATOM 0 H ALA A 25 5.365 -0.355 -0.834 1.00 0.00 H new ATOM 0 HA ALA A 25 4.004 -1.806 -3.002 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.968 -1.120 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.080 -2.022 -0.746 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.964 -0.251 -0.612 1.00 0.00 H new ATOM 377 N THR A 26 3.642 0.145 -4.448 1.00 0.00 N ATOM 378 CA THR A 26 3.437 1.264 -5.347 1.00 0.00 C ATOM 379 C THR A 26 1.972 1.686 -5.332 1.00 0.00 C ATOM 380 O THR A 26 1.108 0.961 -5.825 1.00 0.00 O ATOM 381 CB THR A 26 3.847 0.889 -6.783 1.00 0.00 C ATOM 382 OG1 THR A 26 5.090 0.174 -6.759 1.00 0.00 O ATOM 383 CG2 THR A 26 3.992 2.131 -7.649 1.00 0.00 C ATOM 0 H THR A 26 3.627 -0.768 -4.903 1.00 0.00 H new ATOM 0 HA THR A 26 4.058 2.093 -5.007 1.00 0.00 H new ATOM 0 HB THR A 26 3.066 0.259 -7.209 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.027 -0.612 -7.341 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.282 1.839 -8.658 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.041 2.663 -7.684 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.757 2.782 -7.226 1.00 0.00 H new ATOM 391 N ILE A 27 1.687 2.838 -4.742 1.00 0.00 N ATOM 392 CA ILE A 27 0.319 3.327 -4.664 1.00 0.00 C ATOM 393 C ILE A 27 0.146 4.510 -5.601 1.00 0.00 C ATOM 394 O ILE A 27 0.833 5.524 -5.462 1.00 0.00 O ATOM 395 CB ILE A 27 -0.065 3.752 -3.228 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.325 2.668 -2.214 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.557 4.052 -3.141 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.282 1.306 -2.483 1.00 0.00 C ATOM 0 H ILE A 27 2.382 3.449 -4.312 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.339 2.510 -4.958 1.00 0.00 H new ATOM 0 HB ILE A 27 0.486 4.660 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.411 2.572 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.025 2.995 -1.219 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.810 4.350 -2.123 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.806 4.861 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.124 3.160 -3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.048 0.603 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.369 1.382 -2.462 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.038 0.952 -3.463 1.00 0.00 H new ATOM 410 N GLU A 28 -0.747 4.378 -6.565 1.00 0.00 N ATOM 411 CA GLU A 28 -0.952 5.420 -7.557 1.00 0.00 C ATOM 412 C GLU A 28 -2.372 5.968 -7.475 1.00 0.00 C ATOM 413 O GLU A 28 -3.333 5.206 -7.386 1.00 0.00 O ATOM 414 CB GLU A 28 -0.665 4.866 -8.956 1.00 0.00 C ATOM 415 CG GLU A 28 -0.633 5.924 -10.043 1.00 0.00 C ATOM 416 CD GLU A 28 -0.152 5.380 -11.369 1.00 0.00 C ATOM 417 OE1 GLU A 28 1.071 5.193 -11.529 1.00 0.00 O ATOM 418 OE2 GLU A 28 -0.990 5.149 -12.264 1.00 0.00 O ATOM 0 H GLU A 28 -1.343 3.559 -6.683 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.264 6.241 -7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.293 4.346 -8.941 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.425 4.126 -9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.632 6.343 -10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.019 6.740 -9.731 1.00 0.00 H new ATOM 425 N ASN A 29 -2.495 7.290 -7.480 1.00 0.00 N ATOM 426 CA ASN A 29 -3.801 7.937 -7.450 1.00 0.00 C ATOM 427 C ASN A 29 -4.243 8.277 -8.866 1.00 0.00 C ATOM 428 O ASN A 29 -3.805 9.266 -9.444 1.00 0.00 O ATOM 429 CB ASN A 29 -3.760 9.198 -6.583 1.00 0.00 C ATOM 430 CG ASN A 29 -5.083 9.947 -6.552 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.151 9.375 -6.773 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.020 11.232 -6.254 1.00 0.00 N ATOM 0 H ASN A 29 -1.705 7.935 -7.505 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.523 7.248 -7.011 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.482 8.923 -5.566 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.982 9.863 -6.957 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.875 11.786 -6.201 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.116 11.671 -6.077 1.00 0.00 H new ATOM 439 N GLN A 30 -5.108 7.447 -9.414 1.00 0.00 N ATOM 440 CA GLN A 30 -5.515 7.560 -10.804 1.00 0.00 C ATOM 441 C GLN A 30 -6.921 8.145 -10.903 1.00 0.00 C ATOM 442 O GLN A 30 -7.786 7.597 -11.590 1.00 0.00 O ATOM 443 CB GLN A 30 -5.478 6.176 -11.456 1.00 0.00 C ATOM 444 CG GLN A 30 -4.174 5.430 -11.217 1.00 0.00 C ATOM 445 CD GLN A 30 -4.214 3.994 -11.702 1.00 0.00 C ATOM 446 OE1 GLN A 30 -5.273 3.364 -11.742 1.00 0.00 O ATOM 447 NE2 GLN A 30 -3.060 3.463 -12.067 1.00 0.00 N ATOM 0 H GLN A 30 -5.549 6.676 -8.911 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.827 8.227 -11.323 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.305 5.579 -11.071 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.635 6.284 -12.529 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.364 5.956 -11.722 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.946 5.441 -10.151 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.205 4.018 -12.019 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.024 2.498 -12.397 1.00 0.00 H new ATOM 456 N GLY A 31 -7.140 9.283 -10.255 1.00 0.00 N ATOM 457 CA GLY A 31 -8.473 9.851 -10.213 1.00 0.00 C ATOM 458 C GLY A 31 -8.478 11.365 -10.264 1.00 0.00 C ATOM 459 O GLY A 31 -7.422 12.003 -10.288 1.00 0.00 O ATOM 0 H GLY A 31 -6.425 9.818 -9.762 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.053 9.464 -11.051 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.972 9.523 -9.301 1.00 0.00 H new ATOM 463 N ASN A 32 -9.676 11.934 -10.266 1.00 0.00 N ATOM 464 CA ASN A 32 -9.871 13.367 -10.481 1.00 0.00 C ATOM 465 C ASN A 32 -9.851 14.147 -9.160 1.00 0.00 C ATOM 466 O ASN A 32 -10.467 15.204 -9.037 1.00 0.00 O ATOM 467 CB ASN A 32 -11.206 13.578 -11.211 1.00 0.00 C ATOM 468 CG ASN A 32 -11.435 15.007 -11.681 1.00 0.00 C ATOM 469 OD1 ASN A 32 -12.571 15.479 -11.720 1.00 0.00 O ATOM 470 ND2 ASN A 32 -10.369 15.696 -12.058 1.00 0.00 N ATOM 0 H ASN A 32 -10.543 11.417 -10.119 1.00 0.00 H new ATOM 0 HA ASN A 32 -9.049 13.747 -11.087 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -11.246 12.912 -12.073 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -12.021 13.290 -10.547 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.473 16.653 -12.395 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.443 15.270 -12.011 1.00 0.00 H new ATOM 477 N LYS A 33 -9.127 13.641 -8.174 1.00 0.00 N ATOM 478 CA LYS A 33 -9.019 14.333 -6.898 1.00 0.00 C ATOM 479 C LYS A 33 -7.725 13.968 -6.186 1.00 0.00 C ATOM 480 O LYS A 33 -7.258 12.830 -6.266 1.00 0.00 O ATOM 481 CB LYS A 33 -10.220 14.008 -6.004 1.00 0.00 C ATOM 482 CG LYS A 33 -10.225 14.779 -4.692 1.00 0.00 C ATOM 483 CD LYS A 33 -11.441 14.445 -3.850 1.00 0.00 C ATOM 484 CE LYS A 33 -11.488 15.284 -2.583 1.00 0.00 C ATOM 485 NZ LYS A 33 -12.703 15.002 -1.774 1.00 0.00 N ATOM 0 H LYS A 33 -8.610 12.763 -8.230 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.010 15.404 -7.100 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -11.138 14.227 -6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.224 12.939 -5.789 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.319 14.548 -4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.208 15.849 -4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.346 14.614 -4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.424 13.387 -3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.599 15.086 -1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.465 16.341 -2.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.696 15.595 -0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.552 15.215 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.712 13.999 -1.500 1.00 0.00 H new ATOM 499 N ASP A 34 -7.143 14.947 -5.507 1.00 0.00 N ATOM 500 CA ASP A 34 -5.953 14.724 -4.697 1.00 0.00 C ATOM 501 C ASP A 34 -6.364 14.108 -3.363 1.00 0.00 C ATOM 502 O ASP A 34 -7.414 14.451 -2.817 1.00 0.00 O ATOM 503 CB ASP A 34 -5.205 16.043 -4.453 1.00 0.00 C ATOM 504 CG ASP A 34 -4.840 16.768 -5.737 1.00 0.00 C ATOM 505 OD1 ASP A 34 -3.918 16.316 -6.447 1.00 0.00 O ATOM 506 OD2 ASP A 34 -5.478 17.799 -6.051 1.00 0.00 O ATOM 0 H ASP A 34 -7.479 15.910 -5.501 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.285 14.046 -5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.824 16.696 -3.837 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.296 15.839 -3.887 1.00 0.00 H new ATOM 511 N SER A 35 -5.557 13.198 -2.839 1.00 0.00 N ATOM 512 CA SER A 35 -5.904 12.519 -1.599 1.00 0.00 C ATOM 513 C SER A 35 -5.088 13.053 -0.423 1.00 0.00 C ATOM 514 O SER A 35 -3.895 13.350 -0.558 1.00 0.00 O ATOM 515 CB SER A 35 -5.725 11.004 -1.744 1.00 0.00 C ATOM 516 OG SER A 35 -4.435 10.670 -2.222 1.00 0.00 O ATOM 0 H SER A 35 -4.666 12.914 -3.247 1.00 0.00 H new ATOM 0 HA SER A 35 -6.954 12.723 -1.390 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.890 10.525 -0.779 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.478 10.613 -2.428 1.00 0.00 H new ATOM 0 HG SER A 35 -3.917 11.489 -2.366 1.00 0.00 H new ATOM 522 N THR A 36 -5.745 13.178 0.723 1.00 0.00 N ATOM 523 CA THR A 36 -5.119 13.683 1.934 1.00 0.00 C ATOM 524 C THR A 36 -4.402 12.562 2.691 1.00 0.00 C ATOM 525 O THR A 36 -4.155 11.491 2.134 1.00 0.00 O ATOM 526 CB THR A 36 -6.180 14.339 2.839 1.00 0.00 C ATOM 527 OG1 THR A 36 -7.359 13.521 2.872 1.00 0.00 O ATOM 528 CG2 THR A 36 -6.538 15.729 2.335 1.00 0.00 C ATOM 0 H THR A 36 -6.728 12.931 0.837 1.00 0.00 H new ATOM 0 HA THR A 36 -4.377 14.429 1.650 1.00 0.00 H new ATOM 0 HB THR A 36 -5.767 14.431 3.844 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.031 13.939 3.449 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.289 16.171 2.990 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.646 16.355 2.330 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.937 15.658 1.323 1.00 0.00 H new ATOM 536 N SER A 37 -4.049 12.823 3.947 1.00 0.00 N ATOM 537 CA SER A 37 -3.370 11.842 4.779 1.00 0.00 C ATOM 538 C SER A 37 -4.214 10.582 4.963 1.00 0.00 C ATOM 539 O SER A 37 -5.325 10.636 5.490 1.00 0.00 O ATOM 540 CB SER A 37 -3.053 12.460 6.139 1.00 0.00 C ATOM 541 OG SER A 37 -2.415 13.716 5.981 1.00 0.00 O ATOM 0 H SER A 37 -4.225 13.714 4.411 1.00 0.00 H new ATOM 0 HA SER A 37 -2.446 11.552 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.972 12.583 6.712 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.410 11.789 6.708 1.00 0.00 H new ATOM 0 HG SER A 37 -1.900 13.719 5.147 1.00 0.00 H new ATOM 547 N PHE A 38 -3.678 9.456 4.520 1.00 0.00 N ATOM 548 CA PHE A 38 -4.343 8.172 4.674 1.00 0.00 C ATOM 549 C PHE A 38 -3.326 7.125 5.099 1.00 0.00 C ATOM 550 O PHE A 38 -2.138 7.257 4.810 1.00 0.00 O ATOM 551 CB PHE A 38 -5.026 7.742 3.365 1.00 0.00 C ATOM 552 CG PHE A 38 -4.070 7.419 2.245 1.00 0.00 C ATOM 553 CD1 PHE A 38 -3.435 8.429 1.538 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.805 6.101 1.898 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.552 8.132 0.516 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.929 5.806 0.876 1.00 0.00 C ATOM 557 CZ PHE A 38 -2.303 6.814 0.186 1.00 0.00 C ATOM 0 H PHE A 38 -2.776 9.406 4.047 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.113 8.268 5.439 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.646 6.867 3.562 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.694 8.539 3.038 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.633 9.461 1.789 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.290 5.299 2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.059 8.928 -0.022 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.734 4.776 0.616 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.617 6.577 -0.614 1.00 0.00 H new ATOM 567 N ASN A 39 -3.777 6.096 5.790 1.00 0.00 N ATOM 568 CA ASN A 39 -2.874 5.039 6.215 1.00 0.00 C ATOM 569 C ASN A 39 -2.885 3.892 5.223 1.00 0.00 C ATOM 570 O ASN A 39 -3.933 3.514 4.700 1.00 0.00 O ATOM 571 CB ASN A 39 -3.229 4.518 7.612 1.00 0.00 C ATOM 572 CG ASN A 39 -2.950 5.528 8.709 1.00 0.00 C ATOM 573 OD1 ASN A 39 -1.812 5.672 9.159 1.00 0.00 O ATOM 574 ND2 ASN A 39 -3.989 6.196 9.181 1.00 0.00 N ATOM 0 H ASN A 39 -4.750 5.968 6.067 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.873 5.469 6.256 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.284 4.247 7.635 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -2.662 3.609 7.810 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.864 6.859 9.946 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.915 6.048 8.780 1.00 0.00 H new ATOM 581 N VAL A 40 -1.713 3.361 4.947 1.00 0.00 N ATOM 582 CA VAL A 40 -1.587 2.174 4.132 1.00 0.00 C ATOM 583 C VAL A 40 -0.918 1.074 4.950 1.00 0.00 C ATOM 584 O VAL A 40 0.241 1.191 5.350 1.00 0.00 O ATOM 585 CB VAL A 40 -0.827 2.467 2.808 1.00 0.00 C ATOM 586 CG1 VAL A 40 -0.112 1.239 2.287 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.804 2.943 1.760 1.00 0.00 C ATOM 0 H VAL A 40 -0.826 3.738 5.280 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.580 1.833 3.839 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.082 3.235 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.407 1.486 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.611 0.897 3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.838 0.449 2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.271 3.148 0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.554 2.172 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.294 3.853 2.106 1.00 0.00 H new ATOM 597 N SER A 41 -1.679 0.032 5.238 1.00 0.00 N ATOM 598 CA SER A 41 -1.225 -1.031 6.119 1.00 0.00 C ATOM 599 C SER A 41 -0.948 -2.309 5.343 1.00 0.00 C ATOM 600 O SER A 41 -1.700 -2.671 4.435 1.00 0.00 O ATOM 601 CB SER A 41 -2.284 -1.291 7.193 1.00 0.00 C ATOM 602 OG SER A 41 -3.556 -1.516 6.607 1.00 0.00 O ATOM 0 H SER A 41 -2.621 -0.101 4.871 1.00 0.00 H new ATOM 0 HA SER A 41 -0.294 -0.715 6.589 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.997 -2.156 7.791 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.337 -0.439 7.871 1.00 0.00 H new ATOM 0 HG SER A 41 -4.216 -1.682 7.312 1.00 0.00 H new ATOM 608 N LEU A 42 0.132 -2.989 5.702 1.00 0.00 N ATOM 609 CA LEU A 42 0.473 -4.255 5.076 1.00 0.00 C ATOM 610 C LEU A 42 -0.031 -5.416 5.919 1.00 0.00 C ATOM 611 O LEU A 42 0.404 -5.606 7.060 1.00 0.00 O ATOM 612 CB LEU A 42 1.985 -4.377 4.886 1.00 0.00 C ATOM 613 CG LEU A 42 2.444 -5.655 4.183 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.930 -5.695 2.752 1.00 0.00 C ATOM 615 CD2 LEU A 42 3.959 -5.768 4.212 1.00 0.00 C ATOM 0 H LEU A 42 0.786 -2.684 6.423 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.007 -4.287 4.098 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.335 -3.519 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.465 -4.325 5.863 1.00 0.00 H new ATOM 0 HG LEU A 42 2.028 -6.508 4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.268 -6.612 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.840 -5.667 2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.313 -4.834 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.265 -6.684 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.398 -4.909 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.302 -5.792 5.246 1.00 0.00 H new ATOM 627 N LEU A 43 -0.956 -6.179 5.362 1.00 0.00 N ATOM 628 CA LEU A 43 -1.482 -7.348 6.040 1.00 0.00 C ATOM 629 C LEU A 43 -0.766 -8.596 5.563 1.00 0.00 C ATOM 630 O LEU A 43 -0.640 -8.830 4.365 1.00 0.00 O ATOM 631 CB LEU A 43 -2.987 -7.506 5.803 1.00 0.00 C ATOM 632 CG LEU A 43 -3.861 -6.378 6.344 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.954 -5.237 5.348 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.242 -6.904 6.700 1.00 0.00 C ATOM 0 H LEU A 43 -1.358 -6.008 4.440 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.314 -7.211 7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.161 -7.594 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.312 -8.443 6.256 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.397 -5.989 7.251 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.582 -4.446 5.758 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.957 -4.843 5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.390 -5.601 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.854 -6.088 7.085 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.712 -7.322 5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.151 -7.679 7.461 1.00 0.00 H new ATOM 646 N VAL A 44 -0.289 -9.382 6.505 1.00 0.00 N ATOM 647 CA VAL A 44 0.351 -10.642 6.196 1.00 0.00 C ATOM 648 C VAL A 44 -0.577 -11.793 6.564 1.00 0.00 C ATOM 649 O VAL A 44 -0.677 -12.169 7.736 1.00 0.00 O ATOM 650 CB VAL A 44 1.696 -10.789 6.937 1.00 0.00 C ATOM 651 CG1 VAL A 44 2.325 -12.139 6.652 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.645 -9.667 6.543 1.00 0.00 C ATOM 0 H VAL A 44 -0.334 -9.167 7.501 1.00 0.00 H new ATOM 0 HA VAL A 44 0.556 -10.665 5.126 1.00 0.00 H new ATOM 0 HB VAL A 44 1.504 -10.723 8.008 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.272 -12.219 7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.653 -12.931 6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.502 -12.239 5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.589 -9.786 7.075 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.826 -9.704 5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.200 -8.706 6.803 1.00 0.00 H new ATOM 662 N ASP A 45 -1.295 -12.286 5.556 1.00 0.00 N ATOM 663 CA ASP A 45 -2.227 -13.414 5.687 1.00 0.00 C ATOM 664 C ASP A 45 -3.483 -13.045 6.477 1.00 0.00 C ATOM 665 O ASP A 45 -4.602 -13.284 6.019 1.00 0.00 O ATOM 666 CB ASP A 45 -1.536 -14.643 6.294 1.00 0.00 C ATOM 667 CG ASP A 45 -0.650 -15.366 5.288 1.00 0.00 C ATOM 668 OD1 ASP A 45 0.509 -14.947 5.086 1.00 0.00 O ATOM 669 OD2 ASP A 45 -1.115 -16.358 4.686 1.00 0.00 O ATOM 0 H ASP A 45 -1.248 -11.910 4.609 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.550 -13.670 4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.934 -14.333 7.148 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.292 -15.333 6.670 1.00 0.00 H new ATOM 674 N GLY A 46 -3.304 -12.465 7.648 1.00 0.00 N ATOM 675 CA GLY A 46 -4.438 -12.055 8.454 1.00 0.00 C ATOM 676 C GLY A 46 -4.057 -11.125 9.590 1.00 0.00 C ATOM 677 O GLY A 46 -4.845 -10.915 10.513 1.00 0.00 O ATOM 0 H GLY A 46 -2.392 -12.268 8.060 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.169 -11.558 7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.923 -12.941 8.865 1.00 0.00 H new ATOM 681 N ILE A 47 -2.851 -10.569 9.537 1.00 0.00 N ATOM 682 CA ILE A 47 -2.380 -9.666 10.584 1.00 0.00 C ATOM 683 C ILE A 47 -1.696 -8.461 9.953 1.00 0.00 C ATOM 684 O ILE A 47 -1.149 -8.562 8.860 1.00 0.00 O ATOM 685 CB ILE A 47 -1.369 -10.352 11.533 1.00 0.00 C ATOM 686 CG1 ILE A 47 -1.808 -11.783 11.864 1.00 0.00 C ATOM 687 CG2 ILE A 47 -1.210 -9.544 12.814 1.00 0.00 C ATOM 688 CD1 ILE A 47 -0.801 -12.555 12.688 1.00 0.00 C ATOM 0 H ILE A 47 -2.183 -10.727 8.783 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.253 -9.364 11.163 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.407 -10.399 11.022 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.754 -11.747 12.404 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.992 -12.321 10.934 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.495 -10.040 13.471 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.847 -8.545 12.571 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.174 -9.468 13.318 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.182 -13.558 12.882 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.140 -12.623 12.142 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.635 -12.041 13.635 1.00 0.00 H new ATOM 700 N VAL A 48 -1.720 -7.333 10.640 1.00 0.00 N ATOM 701 CA VAL A 48 -1.060 -6.129 10.155 1.00 0.00 C ATOM 702 C VAL A 48 0.305 -5.988 10.814 1.00 0.00 C ATOM 703 O VAL A 48 0.400 -5.702 12.006 1.00 0.00 O ATOM 704 CB VAL A 48 -1.896 -4.862 10.439 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.211 -3.631 9.871 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.299 -5.002 9.872 1.00 0.00 C ATOM 0 H VAL A 48 -2.190 -7.223 11.538 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.949 -6.227 9.075 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.976 -4.743 11.520 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.815 -2.749 10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.229 -3.516 10.331 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.096 -3.743 8.793 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.869 -4.098 10.084 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.242 -5.151 8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.793 -5.858 10.331 1.00 0.00 H new ATOM 716 N VAL A 49 1.361 -6.202 10.041 1.00 0.00 N ATOM 717 CA VAL A 49 2.715 -6.153 10.583 1.00 0.00 C ATOM 718 C VAL A 49 3.189 -4.717 10.780 1.00 0.00 C ATOM 719 O VAL A 49 3.861 -4.409 11.764 1.00 0.00 O ATOM 720 CB VAL A 49 3.725 -6.923 9.704 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.455 -8.417 9.772 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.683 -6.439 8.260 1.00 0.00 C ATOM 0 H VAL A 49 1.309 -6.410 9.044 1.00 0.00 H new ATOM 0 HA VAL A 49 2.671 -6.644 11.555 1.00 0.00 H new ATOM 0 HB VAL A 49 4.725 -6.729 10.093 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.175 -8.946 9.147 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.550 -8.757 10.803 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.446 -8.621 9.414 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.405 -7.000 7.667 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.683 -6.592 7.854 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.931 -5.378 8.224 1.00 0.00 H new ATOM 732 N ASP A 50 2.825 -3.836 9.855 1.00 0.00 N ATOM 733 CA ASP A 50 3.213 -2.432 9.939 1.00 0.00 C ATOM 734 C ASP A 50 2.285 -1.580 9.089 1.00 0.00 C ATOM 735 O ASP A 50 1.882 -1.983 7.994 1.00 0.00 O ATOM 736 CB ASP A 50 4.666 -2.237 9.483 1.00 0.00 C ATOM 737 CG ASP A 50 5.183 -0.829 9.744 1.00 0.00 C ATOM 738 OD1 ASP A 50 4.945 -0.295 10.849 1.00 0.00 O ATOM 739 OD2 ASP A 50 5.833 -0.252 8.846 1.00 0.00 O ATOM 0 H ASP A 50 2.261 -4.069 9.037 1.00 0.00 H new ATOM 0 HA ASP A 50 3.133 -2.119 10.980 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.303 -2.955 10.000 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.740 -2.454 8.417 1.00 0.00 H new ATOM 744 N THR A 51 1.930 -0.418 9.606 1.00 0.00 N ATOM 745 CA THR A 51 1.076 0.510 8.892 1.00 0.00 C ATOM 746 C THR A 51 1.834 1.796 8.604 1.00 0.00 C ATOM 747 O THR A 51 2.332 2.450 9.523 1.00 0.00 O ATOM 748 CB THR A 51 -0.187 0.837 9.710 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.829 -0.378 10.118 1.00 0.00 O ATOM 750 CG2 THR A 51 -1.158 1.684 8.901 1.00 0.00 C ATOM 0 H THR A 51 2.224 -0.093 10.527 1.00 0.00 H new ATOM 0 HA THR A 51 0.775 0.041 7.955 1.00 0.00 H new ATOM 0 HB THR A 51 0.114 1.406 10.590 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.631 -0.165 10.640 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.041 1.900 9.503 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.675 2.619 8.616 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.455 1.141 8.004 1.00 0.00 H new ATOM 758 N GLN A 52 1.935 2.152 7.337 1.00 0.00 N ATOM 759 CA GLN A 52 2.627 3.364 6.956 1.00 0.00 C ATOM 760 C GLN A 52 1.626 4.442 6.563 1.00 0.00 C ATOM 761 O GLN A 52 0.796 4.244 5.674 1.00 0.00 O ATOM 762 CB GLN A 52 3.596 3.103 5.803 1.00 0.00 C ATOM 763 CG GLN A 52 4.318 4.359 5.355 1.00 0.00 C ATOM 764 CD GLN A 52 5.132 4.172 4.096 1.00 0.00 C ATOM 765 OE1 GLN A 52 5.730 3.128 3.876 1.00 0.00 O ATOM 766 NE2 GLN A 52 5.112 5.173 3.234 1.00 0.00 N ATOM 0 H GLN A 52 1.547 1.620 6.558 1.00 0.00 H new ATOM 0 HA GLN A 52 3.203 3.709 7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.329 2.357 6.110 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.048 2.683 4.960 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.586 5.150 5.190 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.976 4.695 6.156 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.601 6.027 3.456 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.608 5.092 2.346 1.00 0.00 H new ATOM 775 N THR A 53 1.695 5.572 7.240 1.00 0.00 N ATOM 776 CA THR A 53 0.837 6.698 6.925 1.00 0.00 C ATOM 777 C THR A 53 1.383 7.456 5.721 1.00 0.00 C ATOM 778 O THR A 53 2.567 7.785 5.675 1.00 0.00 O ATOM 779 CB THR A 53 0.740 7.665 8.120 1.00 0.00 C ATOM 780 OG1 THR A 53 0.559 6.924 9.334 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.415 8.640 7.941 1.00 0.00 C ATOM 0 H THR A 53 2.339 5.735 8.014 1.00 0.00 H new ATOM 0 HA THR A 53 -0.155 6.308 6.698 1.00 0.00 H new ATOM 0 HB THR A 53 1.668 8.234 8.173 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.345 6.545 9.354 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.461 9.311 8.799 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.262 9.222 7.032 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.350 8.086 7.864 1.00 0.00 H new ATOM 789 N VAL A 54 0.536 7.707 4.741 1.00 0.00 N ATOM 790 CA VAL A 54 0.911 8.553 3.625 1.00 0.00 C ATOM 791 C VAL A 54 0.361 9.950 3.867 1.00 0.00 C ATOM 792 O VAL A 54 -0.850 10.127 4.015 1.00 0.00 O ATOM 793 CB VAL A 54 0.391 8.010 2.276 1.00 0.00 C ATOM 794 CG1 VAL A 54 0.851 8.898 1.126 1.00 0.00 C ATOM 795 CG2 VAL A 54 0.848 6.573 2.058 1.00 0.00 C ATOM 0 H VAL A 54 -0.414 7.338 4.695 1.00 0.00 H new ATOM 0 HA VAL A 54 1.999 8.572 3.562 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.699 8.020 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.474 8.498 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.468 9.908 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.940 8.924 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.470 6.212 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.937 6.534 2.055 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.464 5.943 2.861 1.00 0.00 H new ATOM 805 N THR A 55 1.253 10.929 3.933 1.00 0.00 N ATOM 806 CA THR A 55 0.875 12.289 4.283 1.00 0.00 C ATOM 807 C THR A 55 -0.113 12.877 3.274 1.00 0.00 C ATOM 808 O THR A 55 -1.045 13.585 3.655 1.00 0.00 O ATOM 809 CB THR A 55 2.118 13.193 4.389 1.00 0.00 C ATOM 810 OG1 THR A 55 3.091 12.569 5.239 1.00 0.00 O ATOM 811 CG2 THR A 55 1.756 14.561 4.951 1.00 0.00 C ATOM 0 H THR A 55 2.248 10.804 3.747 1.00 0.00 H new ATOM 0 HA THR A 55 0.383 12.247 5.255 1.00 0.00 H new ATOM 0 HB THR A 55 2.529 13.331 3.389 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.883 13.142 5.306 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.653 15.177 5.014 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.030 15.043 4.296 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.325 14.443 5.945 1.00 0.00 H new ATOM 819 N SER A 56 0.083 12.564 1.998 1.00 0.00 N ATOM 820 CA SER A 56 -0.804 13.041 0.947 1.00 0.00 C ATOM 821 C SER A 56 -0.358 12.485 -0.398 1.00 0.00 C ATOM 822 O SER A 56 0.839 12.442 -0.695 1.00 0.00 O ATOM 823 CB SER A 56 -0.817 14.577 0.904 1.00 0.00 C ATOM 824 OG SER A 56 -1.793 15.065 -0.002 1.00 0.00 O ATOM 0 H SER A 56 0.851 11.980 1.667 1.00 0.00 H new ATOM 0 HA SER A 56 -1.815 12.694 1.161 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.018 14.968 1.901 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.167 14.942 0.611 1.00 0.00 H new ATOM 0 HG SER A 56 -2.479 14.380 -0.144 1.00 0.00 H new ATOM 830 N LEU A 57 -1.313 12.039 -1.198 1.00 0.00 N ATOM 831 CA LEU A 57 -1.014 11.552 -2.530 1.00 0.00 C ATOM 832 C LEU A 57 -1.754 12.391 -3.562 1.00 0.00 C ATOM 833 O LEU A 57 -2.987 12.387 -3.625 1.00 0.00 O ATOM 834 CB LEU A 57 -1.376 10.071 -2.666 1.00 0.00 C ATOM 835 CG LEU A 57 -0.990 9.426 -4.001 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.503 9.573 -4.252 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.387 7.958 -4.015 1.00 0.00 C ATOM 0 H LEU A 57 -2.301 12.005 -0.946 1.00 0.00 H new ATOM 0 HA LEU A 57 0.058 11.645 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.891 9.519 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.451 9.962 -2.525 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.527 9.939 -4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.759 9.109 -5.205 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.765 10.631 -4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.057 9.085 -3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.106 7.514 -4.970 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.875 7.435 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.465 7.871 -3.878 1.00 0.00 H new ATOM 849 N GLU A 58 -0.992 13.131 -4.350 1.00 0.00 N ATOM 850 CA GLU A 58 -1.556 14.028 -5.346 1.00 0.00 C ATOM 851 C GLU A 58 -2.238 13.242 -6.462 1.00 0.00 C ATOM 852 O GLU A 58 -1.944 12.064 -6.680 1.00 0.00 O ATOM 853 CB GLU A 58 -0.456 14.921 -5.921 1.00 0.00 C ATOM 854 CG GLU A 58 0.288 15.720 -4.862 1.00 0.00 C ATOM 855 CD GLU A 58 1.456 16.497 -5.429 1.00 0.00 C ATOM 856 OE1 GLU A 58 2.451 15.865 -5.833 1.00 0.00 O ATOM 857 OE2 GLU A 58 1.395 17.743 -5.467 1.00 0.00 O ATOM 0 H GLU A 58 0.028 13.128 -4.319 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.309 14.652 -4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.257 14.302 -6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.897 15.609 -6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.404 16.412 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.649 15.042 -4.089 1.00 0.00 H new ATOM 864 N SER A 59 -3.166 13.888 -7.147 1.00 0.00 N ATOM 865 CA SER A 59 -3.870 13.268 -8.257 1.00 0.00 C ATOM 866 C SER A 59 -2.911 12.979 -9.404 1.00 0.00 C ATOM 867 O SER A 59 -2.127 13.845 -9.799 1.00 0.00 O ATOM 868 CB SER A 59 -5.020 14.166 -8.724 1.00 0.00 C ATOM 869 OG SER A 59 -4.594 15.511 -8.872 1.00 0.00 O ATOM 0 H SER A 59 -3.451 14.848 -6.952 1.00 0.00 H new ATOM 0 HA SER A 59 -4.289 12.320 -7.918 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.409 13.799 -9.674 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.837 14.118 -8.005 1.00 0.00 H new ATOM 0 HG SER A 59 -4.574 15.946 -7.994 1.00 0.00 H new ATOM 875 N GLU A 60 -2.959 11.745 -9.902 1.00 0.00 N ATOM 876 CA GLU A 60 -2.111 11.300 -11.006 1.00 0.00 C ATOM 877 C GLU A 60 -0.653 11.218 -10.561 1.00 0.00 C ATOM 878 O GLU A 60 0.271 11.262 -11.376 1.00 0.00 O ATOM 879 CB GLU A 60 -2.289 12.215 -12.220 1.00 0.00 C ATOM 880 CG GLU A 60 -3.706 12.180 -12.774 1.00 0.00 C ATOM 881 CD GLU A 60 -3.986 13.292 -13.758 1.00 0.00 C ATOM 882 OE1 GLU A 60 -3.741 13.101 -14.967 1.00 0.00 O ATOM 883 OE2 GLU A 60 -4.467 14.360 -13.327 1.00 0.00 O ATOM 0 H GLU A 60 -3.589 11.024 -9.550 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.416 10.298 -11.306 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.037 13.238 -11.940 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.590 11.917 -13.001 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.875 11.220 -13.262 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.414 12.247 -11.948 1.00 0.00 H new ATOM 890 N ASN A 61 -0.464 11.068 -9.257 1.00 0.00 N ATOM 891 CA ASN A 61 0.858 10.887 -8.679 1.00 0.00 C ATOM 892 C ASN A 61 0.914 9.523 -7.994 1.00 0.00 C ATOM 893 O ASN A 61 -0.121 8.989 -7.584 1.00 0.00 O ATOM 894 CB ASN A 61 1.155 11.999 -7.662 1.00 0.00 C ATOM 895 CG ASN A 61 2.640 12.185 -7.392 1.00 0.00 C ATOM 896 OD1 ASN A 61 3.442 11.274 -7.578 1.00 0.00 O ATOM 897 ND2 ASN A 61 3.016 13.369 -6.937 1.00 0.00 N ATOM 0 H ASN A 61 -1.221 11.069 -8.573 1.00 0.00 H new ATOM 0 HA ASN A 61 1.609 10.936 -9.468 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.739 12.938 -8.028 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.648 11.770 -6.725 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.999 13.547 -6.729 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.323 14.104 -6.794 1.00 0.00 H new ATOM 904 N SER A 62 2.102 8.953 -7.887 1.00 0.00 N ATOM 905 CA SER A 62 2.273 7.679 -7.216 1.00 0.00 C ATOM 906 C SER A 62 3.376 7.784 -6.175 1.00 0.00 C ATOM 907 O SER A 62 4.384 8.458 -6.388 1.00 0.00 O ATOM 908 CB SER A 62 2.607 6.577 -8.222 1.00 0.00 C ATOM 909 OG SER A 62 2.609 5.301 -7.602 1.00 0.00 O ATOM 0 H SER A 62 2.963 9.355 -8.258 1.00 0.00 H new ATOM 0 HA SER A 62 1.336 7.422 -6.722 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.879 6.589 -9.034 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.583 6.770 -8.666 1.00 0.00 H new ATOM 0 HG SER A 62 2.117 5.348 -6.756 1.00 0.00 H new ATOM 915 N THR A 63 3.181 7.115 -5.055 1.00 0.00 N ATOM 916 CA THR A 63 4.162 7.119 -3.988 1.00 0.00 C ATOM 917 C THR A 63 4.539 5.686 -3.624 1.00 0.00 C ATOM 918 O THR A 63 3.730 4.762 -3.765 1.00 0.00 O ATOM 919 CB THR A 63 3.651 7.884 -2.740 1.00 0.00 C ATOM 920 OG1 THR A 63 4.702 8.014 -1.775 1.00 0.00 O ATOM 921 CG2 THR A 63 2.458 7.182 -2.102 1.00 0.00 C ATOM 0 H THR A 63 2.348 6.559 -4.860 1.00 0.00 H new ATOM 0 HA THR A 63 5.048 7.642 -4.347 1.00 0.00 H new ATOM 0 HB THR A 63 3.330 8.872 -3.069 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.369 8.500 -0.992 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.127 7.747 -1.230 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.644 7.119 -2.824 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.749 6.177 -1.795 1.00 0.00 H new ATOM 929 N ASN A 64 5.775 5.501 -3.186 1.00 0.00 N ATOM 930 CA ASN A 64 6.271 4.179 -2.842 1.00 0.00 C ATOM 931 C ASN A 64 6.177 3.957 -1.342 1.00 0.00 C ATOM 932 O ASN A 64 6.752 4.706 -0.553 1.00 0.00 O ATOM 933 CB ASN A 64 7.714 3.994 -3.327 1.00 0.00 C ATOM 934 CG ASN A 64 7.825 3.995 -4.843 1.00 0.00 C ATOM 935 OD1 ASN A 64 6.890 3.611 -5.547 1.00 0.00 O ATOM 936 ND2 ASN A 64 8.967 4.421 -5.359 1.00 0.00 N ATOM 0 H ASN A 64 6.454 6.252 -3.060 1.00 0.00 H new ATOM 0 HA ASN A 64 5.650 3.437 -3.344 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.335 4.792 -2.920 1.00 0.00 H new ATOM 0 HB3 ASN A 64 8.107 3.054 -2.938 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.094 4.439 -6.371 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.720 4.732 -4.745 1.00 0.00 H new ATOM 943 N VAL A 65 5.426 2.940 -0.958 1.00 0.00 N ATOM 944 CA VAL A 65 5.186 2.639 0.445 1.00 0.00 C ATOM 945 C VAL A 65 6.112 1.527 0.919 1.00 0.00 C ATOM 946 O VAL A 65 5.929 0.371 0.557 1.00 0.00 O ATOM 947 CB VAL A 65 3.721 2.210 0.661 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.396 2.085 2.139 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.778 3.186 -0.019 1.00 0.00 C ATOM 0 H VAL A 65 4.966 2.301 -1.606 1.00 0.00 H new ATOM 0 HA VAL A 65 5.385 3.542 1.023 1.00 0.00 H new ATOM 0 HB VAL A 65 3.586 1.227 0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.356 1.781 2.258 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.047 1.338 2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.552 3.046 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.748 2.869 0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.921 4.182 0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.987 3.209 -1.089 1.00 0.00 H new ATOM 959 N ASP A 66 7.105 1.883 1.717 1.00 0.00 N ATOM 960 CA ASP A 66 8.071 0.911 2.218 1.00 0.00 C ATOM 961 C ASP A 66 7.713 0.478 3.633 1.00 0.00 C ATOM 962 O ASP A 66 7.825 1.257 4.581 1.00 0.00 O ATOM 963 CB ASP A 66 9.485 1.493 2.200 1.00 0.00 C ATOM 964 CG ASP A 66 10.008 1.731 0.799 1.00 0.00 C ATOM 965 OD1 ASP A 66 10.470 0.766 0.158 1.00 0.00 O ATOM 966 OD2 ASP A 66 9.986 2.889 0.340 1.00 0.00 O ATOM 0 H ASP A 66 7.266 2.839 2.034 1.00 0.00 H new ATOM 0 HA ASP A 66 8.040 0.041 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.492 2.434 2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.158 0.814 2.723 1.00 0.00 H new ATOM 971 N PHE A 67 7.306 -0.773 3.775 1.00 0.00 N ATOM 972 CA PHE A 67 6.868 -1.283 5.068 1.00 0.00 C ATOM 973 C PHE A 67 8.028 -1.904 5.837 1.00 0.00 C ATOM 974 O PHE A 67 9.070 -2.234 5.266 1.00 0.00 O ATOM 975 CB PHE A 67 5.787 -2.349 4.893 1.00 0.00 C ATOM 976 CG PHE A 67 4.547 -1.880 4.198 1.00 0.00 C ATOM 977 CD1 PHE A 67 3.632 -1.076 4.856 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.284 -2.268 2.896 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.477 -0.669 4.227 1.00 0.00 C ATOM 980 CE2 PHE A 67 3.130 -1.860 2.260 1.00 0.00 C ATOM 981 CZ PHE A 67 2.225 -1.062 2.926 1.00 0.00 C ATOM 0 H PHE A 67 7.269 -1.453 3.016 1.00 0.00 H new ATOM 0 HA PHE A 67 6.470 -0.435 5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.207 -3.183 4.332 1.00 0.00 H new ATOM 0 HB3 PHE A 67 5.512 -2.732 5.876 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.826 -0.765 5.872 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.989 -2.897 2.373 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.769 -0.043 4.750 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.936 -2.165 1.242 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.319 -0.744 2.431 1.00 0.00 H new ATOM 991 N HIS A 68 7.826 -2.076 7.136 1.00 0.00 N ATOM 992 CA HIS A 68 8.815 -2.711 7.995 1.00 0.00 C ATOM 993 C HIS A 68 8.363 -4.121 8.343 1.00 0.00 C ATOM 994 O HIS A 68 7.595 -4.327 9.283 1.00 0.00 O ATOM 995 CB HIS A 68 9.014 -1.893 9.274 1.00 0.00 C ATOM 996 CG HIS A 68 9.369 -0.459 9.024 1.00 0.00 C ATOM 997 ND1 HIS A 68 8.425 0.539 8.912 1.00 0.00 N ATOM 998 CD2 HIS A 68 10.569 0.139 8.855 1.00 0.00 C ATOM 999 CE1 HIS A 68 9.029 1.691 8.683 1.00 0.00 C ATOM 1000 NE2 HIS A 68 10.331 1.474 8.646 1.00 0.00 N ATOM 0 H HIS A 68 6.978 -1.782 7.621 1.00 0.00 H new ATOM 0 HA HIS A 68 9.765 -2.760 7.463 1.00 0.00 H new ATOM 0 HB2 HIS A 68 8.100 -1.934 9.866 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.801 -2.354 9.871 1.00 0.00 H new ATOM 0 HD1 HIS A 68 7.417 0.408 8.993 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.535 -0.344 8.880 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.542 2.646 8.549 1.00 0.00 H new ATOM 1009 N TRP A 69 8.821 -5.083 7.563 1.00 0.00 N ATOM 1010 CA TRP A 69 8.422 -6.469 7.744 1.00 0.00 C ATOM 1011 C TRP A 69 9.562 -7.287 8.337 1.00 0.00 C ATOM 1012 O TRP A 69 10.486 -7.681 7.625 1.00 0.00 O ATOM 1013 CB TRP A 69 7.983 -7.058 6.394 1.00 0.00 C ATOM 1014 CG TRP A 69 7.570 -8.503 6.445 1.00 0.00 C ATOM 1015 CD1 TRP A 69 7.233 -9.228 7.549 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.444 -9.395 5.331 1.00 0.00 C ATOM 1017 NE1 TRP A 69 6.910 -10.513 7.194 1.00 0.00 N ATOM 1018 CE2 TRP A 69 7.028 -10.640 5.838 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.641 -9.263 3.954 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.808 -11.742 5.019 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.422 -10.358 3.144 1.00 0.00 C ATOM 1022 CH2 TRP A 69 7.007 -11.583 3.677 1.00 0.00 C ATOM 0 H TRP A 69 9.473 -4.930 6.794 1.00 0.00 H new ATOM 0 HA TRP A 69 7.585 -6.507 8.441 1.00 0.00 H new ATOM 0 HB2 TRP A 69 7.150 -6.469 6.009 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.803 -6.953 5.683 1.00 0.00 H new ATOM 0 HD1 TRP A 69 7.222 -8.845 8.559 1.00 0.00 H new ATOM 0 HE1 TRP A 69 6.628 -11.253 7.837 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.959 -8.321 3.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.491 -12.690 5.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.574 -10.268 2.079 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.841 -12.419 3.014 1.00 0.00 H new ATOM 1033 N THR A 70 9.510 -7.526 9.641 1.00 0.00 N ATOM 1034 CA THR A 70 10.467 -8.421 10.265 1.00 0.00 C ATOM 1035 C THR A 70 10.110 -9.854 9.886 1.00 0.00 C ATOM 1036 O THR A 70 8.986 -10.313 10.107 1.00 0.00 O ATOM 1037 CB THR A 70 10.520 -8.262 11.809 1.00 0.00 C ATOM 1038 OG1 THR A 70 11.568 -9.077 12.349 1.00 0.00 O ATOM 1039 CG2 THR A 70 9.200 -8.643 12.468 1.00 0.00 C ATOM 0 H THR A 70 8.825 -7.118 10.277 1.00 0.00 H new ATOM 0 HA THR A 70 11.462 -8.165 9.900 1.00 0.00 H new ATOM 0 HB THR A 70 10.713 -7.210 12.020 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.597 -8.970 13.323 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.282 -8.517 13.548 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.405 -8.002 12.087 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.967 -9.683 12.241 1.00 0.00 H new ATOM 1047 N LEU A 71 11.041 -10.551 9.269 1.00 0.00 N ATOM 1048 CA LEU A 71 10.745 -11.863 8.748 1.00 0.00 C ATOM 1049 C LEU A 71 11.657 -12.920 9.341 1.00 0.00 C ATOM 1050 O LEU A 71 12.789 -13.113 8.899 1.00 0.00 O ATOM 1051 CB LEU A 71 10.837 -11.859 7.227 1.00 0.00 C ATOM 1052 CG LEU A 71 10.373 -13.142 6.547 1.00 0.00 C ATOM 1053 CD1 LEU A 71 9.029 -13.584 7.097 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.273 -12.917 5.056 1.00 0.00 C ATOM 0 H LEU A 71 11.998 -10.233 9.118 1.00 0.00 H new ATOM 0 HA LEU A 71 9.725 -12.116 9.037 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.243 -11.029 6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.872 -11.669 6.942 1.00 0.00 H new ATOM 0 HG LEU A 71 11.101 -13.928 6.747 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.716 -14.501 6.599 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.116 -13.765 8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.289 -12.804 6.920 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.941 -13.835 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.556 -12.121 4.855 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.250 -12.632 4.665 1.00 0.00 H new ATOM 1066 N ASP A 72 11.154 -13.572 10.373 1.00 0.00 N ATOM 1067 CA ASP A 72 11.825 -14.716 10.967 1.00 0.00 C ATOM 1068 C ASP A 72 11.912 -15.850 9.954 1.00 0.00 C ATOM 1069 O ASP A 72 13.002 -16.269 9.566 1.00 0.00 O ATOM 1070 CB ASP A 72 11.063 -15.173 12.215 1.00 0.00 C ATOM 1071 CG ASP A 72 11.187 -14.201 13.368 1.00 0.00 C ATOM 1072 OD1 ASP A 72 10.743 -13.041 13.225 1.00 0.00 O ATOM 1073 OD2 ASP A 72 11.718 -14.591 14.426 1.00 0.00 O ATOM 0 H ASP A 72 10.272 -13.326 10.822 1.00 0.00 H new ATOM 0 HA ASP A 72 12.836 -14.430 11.257 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.010 -15.301 11.965 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.437 -16.148 12.526 1.00 0.00 H new ATOM 1078 N GLY A 73 10.754 -16.319 9.502 1.00 0.00 N ATOM 1079 CA GLY A 73 10.720 -17.376 8.514 1.00 0.00 C ATOM 1080 C GLY A 73 9.828 -18.533 8.924 1.00 0.00 C ATOM 1081 O GLY A 73 10.310 -19.640 9.162 1.00 0.00 O ATOM 0 H GLY A 73 9.839 -15.984 9.804 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.368 -16.970 7.566 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.732 -17.744 8.347 1.00 0.00 H new ATOM 1085 N THR A 74 8.529 -18.286 8.986 1.00 0.00 N ATOM 1086 CA THR A 74 7.566 -19.319 9.342 1.00 0.00 C ATOM 1087 C THR A 74 7.350 -20.277 8.173 1.00 0.00 C ATOM 1088 O THR A 74 7.775 -21.435 8.216 1.00 0.00 O ATOM 1089 CB THR A 74 6.216 -18.700 9.758 1.00 0.00 C ATOM 1090 OG1 THR A 74 6.425 -17.719 10.784 1.00 0.00 O ATOM 1091 CG2 THR A 74 5.252 -19.765 10.258 1.00 0.00 C ATOM 0 H THR A 74 8.115 -17.374 8.793 1.00 0.00 H new ATOM 0 HA THR A 74 7.973 -19.872 10.189 1.00 0.00 H new ATOM 0 HB THR A 74 5.777 -18.226 8.880 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.564 -17.328 11.043 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.310 -19.298 10.544 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.071 -20.492 9.467 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.684 -20.269 11.123 1.00 0.00 H new ATOM 1099 N ALA A 75 6.711 -19.775 7.128 1.00 0.00 N ATOM 1100 CA ALA A 75 6.433 -20.564 5.938 1.00 0.00 C ATOM 1101 C ALA A 75 7.310 -20.105 4.777 1.00 0.00 C ATOM 1102 O ALA A 75 8.209 -19.282 4.958 1.00 0.00 O ATOM 1103 CB ALA A 75 4.960 -20.459 5.571 1.00 0.00 C ATOM 0 H ALA A 75 6.372 -18.814 7.080 1.00 0.00 H new ATOM 0 HA ALA A 75 6.664 -21.608 6.149 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.764 -21.054 4.679 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.352 -20.831 6.396 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.707 -19.417 5.375 1.00 0.00 H new ATOM 1109 N ASN A 76 7.058 -20.649 3.594 1.00 0.00 N ATOM 1110 CA ASN A 76 7.825 -20.290 2.405 1.00 0.00 C ATOM 1111 C ASN A 76 7.101 -19.221 1.594 1.00 0.00 C ATOM 1112 O ASN A 76 7.706 -18.548 0.760 1.00 0.00 O ATOM 1113 CB ASN A 76 8.072 -21.522 1.524 1.00 0.00 C ATOM 1114 CG ASN A 76 8.882 -22.595 2.226 1.00 0.00 C ATOM 1115 OD1 ASN A 76 10.112 -22.602 2.167 1.00 0.00 O ATOM 1116 ND2 ASN A 76 8.200 -23.505 2.901 1.00 0.00 N ATOM 0 H ASN A 76 6.328 -21.342 3.430 1.00 0.00 H new ATOM 0 HA ASN A 76 8.784 -19.893 2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.114 -21.940 1.216 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.593 -21.216 0.617 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.693 -24.247 3.397 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.181 -23.464 2.925 1.00 0.00 H new ATOM 1123 N SER A 77 5.807 -19.067 1.842 1.00 0.00 N ATOM 1124 CA SER A 77 5.004 -18.092 1.121 1.00 0.00 C ATOM 1125 C SER A 77 4.132 -17.290 2.083 1.00 0.00 C ATOM 1126 O SER A 77 3.498 -17.848 2.980 1.00 0.00 O ATOM 1127 CB SER A 77 4.128 -18.796 0.083 1.00 0.00 C ATOM 1128 OG SER A 77 4.910 -19.605 -0.782 1.00 0.00 O ATOM 0 H SER A 77 5.292 -19.606 2.538 1.00 0.00 H new ATOM 0 HA SER A 77 5.678 -17.403 0.611 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.384 -19.412 0.588 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.584 -18.054 -0.501 1.00 0.00 H new ATOM 0 HG SER A 77 4.326 -20.045 -1.435 1.00 0.00 H new ATOM 1134 N TYR A 78 4.119 -15.982 1.898 1.00 0.00 N ATOM 1135 CA TYR A 78 3.321 -15.094 2.727 1.00 0.00 C ATOM 1136 C TYR A 78 2.301 -14.341 1.886 1.00 0.00 C ATOM 1137 O TYR A 78 2.569 -13.992 0.733 1.00 0.00 O ATOM 1138 CB TYR A 78 4.222 -14.106 3.465 1.00 0.00 C ATOM 1139 CG TYR A 78 4.975 -14.712 4.625 1.00 0.00 C ATOM 1140 CD1 TYR A 78 6.104 -15.496 4.427 1.00 0.00 C ATOM 1141 CD2 TYR A 78 4.554 -14.488 5.924 1.00 0.00 C ATOM 1142 CE1 TYR A 78 6.787 -16.040 5.497 1.00 0.00 C ATOM 1143 CE2 TYR A 78 5.229 -15.024 6.996 1.00 0.00 C ATOM 1144 CZ TYR A 78 6.343 -15.799 6.781 1.00 0.00 C ATOM 1145 OH TYR A 78 7.015 -16.331 7.855 1.00 0.00 O ATOM 0 H TYR A 78 4.658 -15.507 1.174 1.00 0.00 H new ATOM 0 HA TYR A 78 2.786 -15.700 3.458 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.939 -13.686 2.759 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.614 -13.279 3.832 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.453 -15.683 3.422 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.678 -13.881 6.100 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.663 -16.650 5.330 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.885 -14.836 8.002 1.00 0.00 H new ATOM 0 HH TYR A 78 6.569 -16.062 8.685 1.00 0.00 H new ATOM 1155 N THR A 79 1.137 -14.096 2.463 1.00 0.00 N ATOM 1156 CA THR A 79 0.073 -13.400 1.762 1.00 0.00 C ATOM 1157 C THR A 79 0.079 -11.920 2.126 1.00 0.00 C ATOM 1158 O THR A 79 -0.539 -11.511 3.107 1.00 0.00 O ATOM 1159 CB THR A 79 -1.303 -14.004 2.104 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.231 -15.437 2.066 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.369 -13.523 1.130 1.00 0.00 C ATOM 0 H THR A 79 0.905 -14.370 3.418 1.00 0.00 H new ATOM 0 HA THR A 79 0.250 -13.513 0.692 1.00 0.00 H new ATOM 0 HB THR A 79 -1.577 -13.676 3.107 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.316 -15.793 2.975 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.330 -13.965 1.395 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.443 -12.437 1.179 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.099 -13.823 0.118 1.00 0.00 H new ATOM 1169 N LEU A 80 0.790 -11.119 1.348 1.00 0.00 N ATOM 1170 CA LEU A 80 0.916 -9.702 1.646 1.00 0.00 C ATOM 1171 C LEU A 80 -0.173 -8.895 0.958 1.00 0.00 C ATOM 1172 O LEU A 80 -0.223 -8.798 -0.268 1.00 0.00 O ATOM 1173 CB LEU A 80 2.302 -9.188 1.261 1.00 0.00 C ATOM 1174 CG LEU A 80 3.322 -9.171 2.404 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.512 -10.561 2.996 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.648 -8.614 1.918 1.00 0.00 C ATOM 0 H LEU A 80 1.286 -11.424 0.510 1.00 0.00 H new ATOM 0 HA LEU A 80 0.793 -9.575 2.722 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.692 -9.808 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.202 -8.177 0.867 1.00 0.00 H new ATOM 0 HG LEU A 80 2.936 -8.524 3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.242 -10.516 3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.561 -10.924 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.870 -11.240 2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.363 -8.608 2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.030 -9.237 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.504 -7.596 1.555 1.00 0.00 H new ATOM 1188 N THR A 81 -1.049 -8.329 1.762 1.00 0.00 N ATOM 1189 CA THR A 81 -2.170 -7.562 1.260 1.00 0.00 C ATOM 1190 C THR A 81 -2.057 -6.106 1.694 1.00 0.00 C ATOM 1191 O THR A 81 -1.996 -5.805 2.885 1.00 0.00 O ATOM 1192 CB THR A 81 -3.500 -8.148 1.769 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.500 -9.571 1.586 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.684 -7.539 1.031 1.00 0.00 C ATOM 0 H THR A 81 -1.004 -8.387 2.779 1.00 0.00 H new ATOM 0 HA THR A 81 -2.153 -7.613 0.171 1.00 0.00 H new ATOM 0 HB THR A 81 -3.597 -7.911 2.828 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.346 -9.943 1.912 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.610 -7.971 1.410 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.695 -6.460 1.188 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.596 -7.749 -0.035 1.00 0.00 H new ATOM 1202 N VAL A 82 -2.006 -5.209 0.727 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.932 -3.785 1.018 1.00 0.00 C ATOM 1204 C VAL A 82 -3.331 -3.205 1.193 1.00 0.00 C ATOM 1205 O VAL A 82 -4.095 -3.118 0.230 1.00 0.00 O ATOM 1206 CB VAL A 82 -1.200 -3.014 -0.103 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -1.154 -1.524 0.204 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.204 -3.558 -0.304 1.00 0.00 C ATOM 0 H VAL A 82 -2.014 -5.439 -0.267 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.367 -3.672 1.943 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.759 -3.156 -1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.634 -1.003 -0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.170 -1.138 0.289 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.625 -1.362 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.700 -3.000 -1.098 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.771 -3.454 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.150 -4.611 -0.580 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.675 -2.845 2.424 1.00 0.00 N ATOM 1219 CA ASN A 83 -4.956 -2.199 2.697 1.00 0.00 C ATOM 1220 C ASN A 83 -4.802 -0.685 2.650 1.00 0.00 C ATOM 1221 O ASN A 83 -4.145 -0.089 3.509 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.506 -2.621 4.062 1.00 0.00 C ATOM 1223 CG ASN A 83 -6.895 -2.068 4.337 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -7.903 -2.707 4.035 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -6.961 -0.885 4.927 1.00 0.00 N ATOM 0 H ASN A 83 -3.089 -2.988 3.246 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.662 -2.514 1.929 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.537 -3.709 4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.825 -2.283 4.843 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.869 -0.474 5.146 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.104 -0.384 5.163 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.404 -0.074 1.643 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.351 1.369 1.475 1.00 0.00 C ATOM 1234 C VAL A 84 -6.542 2.026 2.161 1.00 0.00 C ATOM 1235 O VAL A 84 -7.689 1.663 1.896 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.339 1.766 -0.022 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.389 3.278 -0.187 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.109 1.201 -0.717 1.00 0.00 C ATOM 0 H VAL A 84 -5.940 -0.560 0.924 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.425 1.717 1.933 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.229 1.342 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.379 3.529 -1.248 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.301 3.664 0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.523 3.726 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.119 1.491 -1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.210 1.593 -0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.115 0.114 -0.641 1.00 0.00 H new ATOM 1248 N ASP A 85 -6.248 2.970 3.057 1.00 0.00 N ATOM 1249 CA ASP A 85 -7.271 3.748 3.758 1.00 0.00 C ATOM 1250 C ASP A 85 -8.122 2.861 4.670 1.00 0.00 C ATOM 1251 O ASP A 85 -9.166 2.349 4.270 1.00 0.00 O ATOM 1252 CB ASP A 85 -8.154 4.511 2.764 1.00 0.00 C ATOM 1253 CG ASP A 85 -9.235 5.317 3.451 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -8.912 6.376 4.032 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -10.408 4.892 3.419 1.00 0.00 O ATOM 0 H ASP A 85 -5.293 3.217 3.317 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.758 4.475 4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.532 5.178 2.167 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.615 3.804 2.075 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.653 2.632 5.906 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.362 1.832 6.897 1.00 0.00 C ATOM 1262 C PRO A 86 -9.394 2.643 7.684 1.00 0.00 C ATOM 1263 O PRO A 86 -10.502 2.170 7.941 1.00 0.00 O ATOM 1264 CB PRO A 86 -7.240 1.339 7.828 1.00 0.00 C ATOM 1265 CG PRO A 86 -5.969 1.954 7.320 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.374 3.093 6.431 1.00 0.00 C ATOM 0 HA PRO A 86 -8.935 1.029 6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.431 1.637 8.859 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.176 0.251 7.818 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.351 2.307 8.146 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.377 1.223 6.769 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.474 4.027 6.985 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.647 3.269 5.638 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.030 3.871 8.051 1.00 0.00 N ATOM 1275 CA GLU A 87 -9.894 4.726 8.865 1.00 0.00 C ATOM 1276 C GLU A 87 -10.965 5.395 8.014 1.00 0.00 C ATOM 1277 O GLU A 87 -11.900 6.000 8.542 1.00 0.00 O ATOM 1278 CB GLU A 87 -9.078 5.815 9.574 1.00 0.00 C ATOM 1279 CG GLU A 87 -7.996 5.295 10.507 1.00 0.00 C ATOM 1280 CD GLU A 87 -6.808 4.708 9.777 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -6.465 5.212 8.686 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -6.217 3.735 10.291 1.00 0.00 O ATOM 0 H GLU A 87 -8.139 4.298 7.796 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.370 4.085 9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.613 6.450 8.820 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.759 6.445 10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.655 6.109 11.146 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -8.424 4.535 11.161 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.815 5.276 6.702 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.680 5.956 5.746 1.00 0.00 C ATOM 1291 C ASN A 88 -11.540 7.462 5.888 1.00 0.00 C ATOM 1292 O ASN A 88 -12.475 8.167 6.279 1.00 0.00 O ATOM 1293 CB ASN A 88 -13.140 5.515 5.876 1.00 0.00 C ATOM 1294 CG ASN A 88 -13.346 4.073 5.448 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -14.230 3.383 5.958 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -12.532 3.603 4.513 1.00 0.00 N ATOM 0 H ASN A 88 -10.089 4.705 6.269 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.358 5.672 4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.463 5.634 6.910 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.769 6.166 5.269 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -12.626 2.639 4.192 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.812 4.205 4.114 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.345 7.935 5.584 1.00 0.00 N ATOM 1304 CA ALA A 89 -10.031 9.349 5.621 1.00 0.00 C ATOM 1305 C ALA A 89 -10.071 9.905 4.211 1.00 0.00 C ATOM 1306 O ALA A 89 -10.362 11.084 3.997 1.00 0.00 O ATOM 1307 CB ALA A 89 -8.664 9.576 6.251 1.00 0.00 C ATOM 0 H ALA A 89 -9.562 7.345 5.303 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.770 9.868 6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.445 10.644 6.270 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.664 9.187 7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.903 9.060 5.665 1.00 0.00 H new ATOM 1313 N VAL A 90 -9.782 9.043 3.252 1.00 0.00 N ATOM 1314 CA VAL A 90 -9.869 9.395 1.850 1.00 0.00 C ATOM 1315 C VAL A 90 -10.946 8.553 1.183 1.00 0.00 C ATOM 1316 O VAL A 90 -10.773 7.352 0.992 1.00 0.00 O ATOM 1317 CB VAL A 90 -8.527 9.192 1.119 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -8.642 9.619 -0.336 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -7.411 9.957 1.816 1.00 0.00 C ATOM 0 H VAL A 90 -9.482 8.084 3.424 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.123 10.453 1.787 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.280 8.131 1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.685 9.469 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.408 9.022 -0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.915 10.673 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.474 9.799 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -7.649 11.021 1.824 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.310 9.600 2.841 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.064 9.185 0.859 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.196 8.486 0.264 1.00 0.00 C ATOM 1331 C ASN A 91 -12.830 7.973 -1.126 1.00 0.00 C ATOM 1332 O ASN A 91 -12.708 8.750 -2.073 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.412 9.417 0.207 1.00 0.00 C ATOM 1334 CG ASN A 91 -15.693 8.691 -0.151 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -16.087 8.634 -1.313 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -16.355 8.136 0.853 1.00 0.00 N ATOM 0 H ASN A 91 -12.213 10.184 0.998 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.452 7.626 0.882 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.535 9.906 1.174 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.228 10.202 -0.526 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -17.227 7.638 0.675 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -15.993 8.207 1.804 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.631 6.664 -1.221 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.166 6.024 -2.447 1.00 0.00 C ATOM 1345 C GLU A 92 -13.304 5.829 -3.439 1.00 0.00 C ATOM 1346 O GLU A 92 -14.470 5.712 -3.056 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.560 4.658 -2.121 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.198 4.396 -2.749 1.00 0.00 C ATOM 1349 CD GLU A 92 -10.256 4.308 -4.258 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -10.106 5.353 -4.911 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -10.455 3.198 -4.791 1.00 0.00 O ATOM 0 H GLU A 92 -12.787 6.015 -0.450 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.417 6.676 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.469 4.566 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -12.251 3.882 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.511 5.192 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -9.792 3.466 -2.351 1.00 0.00 H new ATOM 1358 N GLY A 93 -12.943 5.828 -4.711 1.00 0.00 N ATOM 1359 CA GLY A 93 -13.855 5.476 -5.780 1.00 0.00 C ATOM 1360 C GLY A 93 -14.447 4.081 -5.636 1.00 0.00 C ATOM 1361 O GLY A 93 -15.405 3.859 -4.893 1.00 0.00 O ATOM 0 H GLY A 93 -12.005 6.072 -5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.665 6.205 -5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.329 5.543 -6.733 1.00 0.00 H new ATOM 1365 N ASN A 94 -13.887 3.153 -6.398 1.00 0.00 N ATOM 1366 CA ASN A 94 -14.407 1.790 -6.496 1.00 0.00 C ATOM 1367 C ASN A 94 -14.001 0.959 -5.286 1.00 0.00 C ATOM 1368 O ASN A 94 -12.830 0.939 -4.902 1.00 0.00 O ATOM 1369 CB ASN A 94 -13.880 1.110 -7.765 1.00 0.00 C ATOM 1370 CG ASN A 94 -13.233 2.094 -8.721 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -13.876 2.616 -9.629 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -11.955 2.366 -8.506 1.00 0.00 N ATOM 0 H ASN A 94 -13.058 3.320 -6.968 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.494 1.854 -6.534 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -13.155 0.345 -7.489 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -14.702 0.603 -8.271 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.467 3.031 -9.106 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.458 1.910 -7.741 1.00 0.00 H new ATOM 1379 N GLU A 95 -14.965 0.257 -4.701 1.00 0.00 N ATOM 1380 CA GLU A 95 -14.691 -0.611 -3.561 1.00 0.00 C ATOM 1381 C GLU A 95 -13.961 -1.878 -4.002 1.00 0.00 C ATOM 1382 O GLU A 95 -14.560 -2.944 -4.136 1.00 0.00 O ATOM 1383 CB GLU A 95 -15.982 -0.980 -2.830 1.00 0.00 C ATOM 1384 CG GLU A 95 -16.705 0.213 -2.230 1.00 0.00 C ATOM 1385 CD GLU A 95 -17.893 -0.199 -1.390 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -17.690 -0.618 -0.235 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -19.039 -0.105 -1.878 1.00 0.00 O ATOM 0 H GLU A 95 -15.941 0.272 -4.996 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.048 -0.059 -2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -16.651 -1.487 -3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.750 -1.690 -2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -16.010 0.785 -1.616 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -17.040 0.872 -3.031 1.00 0.00 H new ATOM 1394 N SER A 96 -12.671 -1.732 -4.266 1.00 0.00 N ATOM 1395 CA SER A 96 -11.827 -2.838 -4.703 1.00 0.00 C ATOM 1396 C SER A 96 -10.361 -2.498 -4.462 1.00 0.00 C ATOM 1397 O SER A 96 -9.576 -3.335 -4.013 1.00 0.00 O ATOM 1398 CB SER A 96 -12.033 -3.122 -6.199 1.00 0.00 C ATOM 1399 OG SER A 96 -13.403 -3.312 -6.520 1.00 0.00 O ATOM 0 H SER A 96 -12.178 -0.843 -4.184 1.00 0.00 H new ATOM 0 HA SER A 96 -12.104 -3.723 -4.130 1.00 0.00 H new ATOM 0 HB2 SER A 96 -11.635 -2.293 -6.784 1.00 0.00 H new ATOM 0 HB3 SER A 96 -11.468 -4.011 -6.481 1.00 0.00 H new ATOM 0 HG SER A 96 -13.896 -3.567 -5.712 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.016 -1.243 -4.737 1.00 0.00 N ATOM 1406 CA ASN A 97 -8.632 -0.777 -4.696 1.00 0.00 C ATOM 1407 C ASN A 97 -8.062 -0.772 -3.284 1.00 0.00 C ATOM 1408 O ASN A 97 -6.855 -0.647 -3.099 1.00 0.00 O ATOM 1409 CB ASN A 97 -8.541 0.638 -5.252 1.00 0.00 C ATOM 1410 CG ASN A 97 -8.932 0.755 -6.711 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -8.767 -0.177 -7.500 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -9.466 1.909 -7.074 1.00 0.00 N ATOM 0 H ASN A 97 -10.688 -0.520 -4.995 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.050 -1.472 -5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.183 1.291 -4.661 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.520 1.000 -5.130 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.759 2.054 -8.040 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.584 2.654 -6.388 1.00 0.00 H new ATOM 1419 N ASN A 98 -8.921 -0.912 -2.286 1.00 0.00 N ATOM 1420 CA ASN A 98 -8.484 -0.825 -0.897 1.00 0.00 C ATOM 1421 C ASN A 98 -7.667 -2.048 -0.485 1.00 0.00 C ATOM 1422 O ASN A 98 -7.131 -2.088 0.617 1.00 0.00 O ATOM 1423 CB ASN A 98 -9.681 -0.658 0.046 1.00 0.00 C ATOM 1424 CG ASN A 98 -10.454 0.620 -0.214 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -11.398 0.633 -1.003 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -10.064 1.701 0.445 1.00 0.00 N ATOM 0 H ASN A 98 -9.919 -1.085 -2.408 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.845 0.055 -0.818 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.349 -1.512 -0.066 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.329 -0.662 1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.552 2.586 0.307 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.276 1.648 1.091 1.00 0.00 H new ATOM 1433 N THR A 99 -7.557 -3.033 -1.370 1.00 0.00 N ATOM 1434 CA THR A 99 -6.803 -4.243 -1.064 1.00 0.00 C ATOM 1435 C THR A 99 -6.032 -4.766 -2.275 1.00 0.00 C ATOM 1436 O THR A 99 -6.616 -5.026 -3.330 1.00 0.00 O ATOM 1437 CB THR A 99 -7.726 -5.361 -0.534 1.00 0.00 C ATOM 1438 OG1 THR A 99 -8.968 -5.358 -1.252 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.991 -5.198 0.957 1.00 0.00 C ATOM 0 H THR A 99 -7.977 -3.018 -2.299 1.00 0.00 H new ATOM 0 HA THR A 99 -6.087 -3.965 -0.291 1.00 0.00 H new ATOM 0 HB THR A 99 -7.221 -6.314 -0.689 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.546 -6.072 -0.909 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.644 -6.000 1.300 1.00 0.00 H new ATOM 0 HG22 THR A 99 -7.047 -5.240 1.501 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.472 -4.237 1.138 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.717 -4.892 -2.124 1.00 0.00 N ATOM 1448 CA LEU A 100 -3.887 -5.581 -3.108 1.00 0.00 C ATOM 1449 C LEU A 100 -3.366 -6.876 -2.504 1.00 0.00 C ATOM 1450 O LEU A 100 -2.473 -6.855 -1.658 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.705 -4.715 -3.562 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.689 -5.415 -4.471 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -2.298 -5.708 -5.833 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.431 -4.571 -4.613 1.00 0.00 C ATOM 0 H LEU A 100 -4.201 -4.524 -1.325 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.502 -5.790 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -3.096 -3.843 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.184 -4.349 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.414 -6.365 -4.012 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -1.560 -6.205 -6.462 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.166 -6.356 -5.712 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.605 -4.774 -6.303 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.280 -5.083 -5.262 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.688 -3.605 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.018 -4.419 -3.631 1.00 0.00 H new ATOM 1466 N THR A 101 -3.940 -7.987 -2.920 1.00 0.00 N ATOM 1467 CA THR A 101 -3.562 -9.287 -2.396 1.00 0.00 C ATOM 1468 C THR A 101 -2.431 -9.888 -3.226 1.00 0.00 C ATOM 1469 O THR A 101 -2.665 -10.419 -4.312 1.00 0.00 O ATOM 1470 CB THR A 101 -4.771 -10.240 -2.406 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.968 -9.498 -2.115 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.597 -11.357 -1.385 1.00 0.00 C ATOM 0 H THR A 101 -4.676 -8.016 -3.625 1.00 0.00 H new ATOM 0 HA THR A 101 -3.219 -9.155 -1.370 1.00 0.00 H new ATOM 0 HB THR A 101 -4.847 -10.692 -3.395 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.738 -10.104 -2.123 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.466 -12.015 -1.414 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.700 -11.930 -1.621 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.501 -10.927 -0.388 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.207 -9.782 -2.728 1.00 0.00 N ATOM 1481 CA ALA A 102 -0.048 -10.274 -3.455 1.00 0.00 C ATOM 1482 C ALA A 102 0.696 -11.334 -2.653 1.00 0.00 C ATOM 1483 O ALA A 102 1.039 -11.126 -1.490 1.00 0.00 O ATOM 1484 CB ALA A 102 0.884 -9.124 -3.803 1.00 0.00 C ATOM 0 H ALA A 102 -0.992 -9.360 -1.825 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.400 -10.735 -4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.747 -9.507 -4.347 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.355 -8.402 -4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.219 -8.637 -2.887 1.00 0.00 H new ATOM 1490 N LEU A 103 0.940 -12.472 -3.277 1.00 0.00 N ATOM 1491 CA LEU A 103 1.687 -13.542 -2.640 1.00 0.00 C ATOM 1492 C LEU A 103 3.180 -13.334 -2.825 1.00 0.00 C ATOM 1493 O LEU A 103 3.661 -13.176 -3.948 1.00 0.00 O ATOM 1494 CB LEU A 103 1.281 -14.903 -3.209 1.00 0.00 C ATOM 1495 CG LEU A 103 -0.091 -15.413 -2.768 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.416 -16.725 -3.461 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.125 -15.591 -1.258 1.00 0.00 C ATOM 0 H LEU A 103 0.631 -12.680 -4.227 1.00 0.00 H new ATOM 0 HA LEU A 103 1.455 -13.524 -1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.295 -14.842 -4.297 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.033 -15.638 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.843 -14.677 -3.050 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.396 -17.075 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.424 -16.574 -4.540 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.338 -17.469 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.107 -15.955 -0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.636 -16.312 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 103 0.072 -14.634 -0.774 1.00 0.00 H new ATOM 1509 N VAL A 104 3.907 -13.329 -1.723 1.00 0.00 N ATOM 1510 CA VAL A 104 5.351 -13.196 -1.770 1.00 0.00 C ATOM 1511 C VAL A 104 5.999 -14.455 -1.211 1.00 0.00 C ATOM 1512 O VAL A 104 5.485 -15.060 -0.266 1.00 0.00 O ATOM 1513 CB VAL A 104 5.851 -11.949 -0.997 1.00 0.00 C ATOM 1514 CG1 VAL A 104 5.262 -10.676 -1.587 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.516 -12.040 0.481 1.00 0.00 C ATOM 0 H VAL A 104 3.520 -13.416 -0.783 1.00 0.00 H new ATOM 0 HA VAL A 104 5.638 -13.063 -2.813 1.00 0.00 H new ATOM 0 HB VAL A 104 6.936 -11.916 -1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.627 -9.814 -1.029 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.562 -10.586 -2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 104 4.175 -10.715 -1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.881 -11.149 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.436 -12.113 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.991 -12.924 0.908 1.00 0.00 H new ATOM 1525 N GLY A 105 7.107 -14.865 -1.799 1.00 0.00 N ATOM 1526 CA GLY A 105 7.735 -16.101 -1.388 1.00 0.00 C ATOM 1527 C GLY A 105 9.162 -15.898 -0.946 1.00 0.00 C ATOM 1528 O GLY A 105 9.803 -14.927 -1.337 1.00 0.00 O ATOM 0 H GLY A 105 7.583 -14.367 -2.551 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.163 -16.543 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.710 -16.811 -2.215 1.00 0.00 H new ATOM 1532 N THR A 106 9.659 -16.800 -0.119 1.00 0.00 N ATOM 1533 CA THR A 106 11.038 -16.736 0.320 1.00 0.00 C ATOM 1534 C THR A 106 11.976 -16.917 -0.871 1.00 0.00 C ATOM 1535 O THR A 106 11.698 -17.715 -1.769 1.00 0.00 O ATOM 1536 CB THR A 106 11.329 -17.797 1.401 1.00 0.00 C ATOM 1537 OG1 THR A 106 10.934 -19.101 0.945 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.590 -17.464 2.690 1.00 0.00 C ATOM 0 H THR A 106 9.128 -17.584 0.261 1.00 0.00 H new ATOM 0 HA THR A 106 11.210 -15.754 0.761 1.00 0.00 H new ATOM 0 HB THR A 106 12.402 -17.796 1.595 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.821 -19.697 1.715 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.808 -18.224 3.441 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.915 -16.490 3.055 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.517 -17.440 2.499 1.00 0.00 H new ATOM 1546 N LEU A 107 13.056 -16.142 -0.894 1.00 0.00 N ATOM 1547 CA LEU A 107 14.029 -16.205 -1.977 1.00 0.00 C ATOM 1548 C LEU A 107 14.487 -17.642 -2.184 1.00 0.00 C ATOM 1549 O LEU A 107 15.023 -18.262 -1.272 1.00 0.00 O ATOM 1550 CB LEU A 107 15.231 -15.310 -1.666 1.00 0.00 C ATOM 1551 CG LEU A 107 16.237 -15.154 -2.809 1.00 0.00 C ATOM 1552 CD1 LEU A 107 15.594 -14.444 -3.991 1.00 0.00 C ATOM 1553 CD2 LEU A 107 17.469 -14.396 -2.335 1.00 0.00 C ATOM 0 H LEU A 107 13.279 -15.459 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 107 13.556 -15.848 -2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.866 -14.322 -1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.751 -15.715 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 107 16.548 -16.147 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 107 16.323 -14.342 -4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.743 -15.025 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 107 15.254 -13.456 -3.681 1.00 0.00 H new ATOM 0 HD21 LEU A 107 18.174 -14.294 -3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 107 17.175 -13.407 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 107 17.942 -14.944 -1.520 1.00 0.00 H new ATOM 1565 N GLU A 108 14.283 -18.155 -3.387 1.00 0.00 N ATOM 1566 CA GLU A 108 14.508 -19.567 -3.673 1.00 0.00 C ATOM 1567 C GLU A 108 15.988 -19.933 -3.606 1.00 0.00 C ATOM 1568 O GLU A 108 16.339 -21.099 -3.438 1.00 0.00 O ATOM 1569 CB GLU A 108 13.933 -19.912 -5.042 1.00 0.00 C ATOM 1570 CG GLU A 108 12.435 -19.685 -5.123 1.00 0.00 C ATOM 1571 CD GLU A 108 11.925 -19.686 -6.541 1.00 0.00 C ATOM 1572 OE1 GLU A 108 12.102 -18.663 -7.238 1.00 0.00 O ATOM 1573 OE2 GLU A 108 11.331 -20.699 -6.966 1.00 0.00 O ATOM 0 H GLU A 108 13.960 -17.612 -4.188 1.00 0.00 H new ATOM 0 HA GLU A 108 13.998 -20.151 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 108 14.429 -19.309 -5.802 1.00 0.00 H new ATOM 0 HB3 GLU A 108 14.151 -20.955 -5.270 1.00 0.00 H new ATOM 0 HG2 GLU A 108 11.922 -20.462 -4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.190 -18.733 -4.653 1.00 0.00 H new ATOM 1580 N HIS A 109 16.857 -18.936 -3.736 1.00 0.00 N ATOM 1581 CA HIS A 109 18.294 -19.163 -3.615 1.00 0.00 C ATOM 1582 C HIS A 109 18.722 -19.089 -2.157 1.00 0.00 C ATOM 1583 O HIS A 109 19.875 -19.348 -1.816 1.00 0.00 O ATOM 1584 CB HIS A 109 19.084 -18.164 -4.464 1.00 0.00 C ATOM 1585 CG HIS A 109 19.024 -18.458 -5.931 1.00 0.00 C ATOM 1586 ND1 HIS A 109 19.394 -17.555 -6.900 1.00 0.00 N ATOM 1587 CD2 HIS A 109 18.642 -19.576 -6.591 1.00 0.00 C ATOM 1588 CE1 HIS A 109 19.242 -18.101 -8.092 1.00 0.00 C ATOM 1589 NE2 HIS A 109 18.788 -19.331 -7.932 1.00 0.00 N ATOM 0 H HIS A 109 16.594 -17.968 -3.924 1.00 0.00 H new ATOM 0 HA HIS A 109 18.512 -20.163 -3.989 1.00 0.00 H new ATOM 0 HB2 HIS A 109 18.698 -17.160 -4.285 1.00 0.00 H new ATOM 0 HB3 HIS A 109 20.125 -18.167 -4.142 1.00 0.00 H new ATOM 0 HD2 HIS A 109 18.287 -20.493 -6.144 1.00 0.00 H new ATOM 0 HE1 HIS A 109 19.453 -17.623 -9.037 1.00 0.00 H new ATOM 0 HE2 HIS A 109 18.580 -19.990 -8.682 1.00 0.00 H new ATOM 1598 N HIS A 110 17.778 -18.732 -1.301 1.00 0.00 N ATOM 1599 CA HIS A 110 17.988 -18.754 0.136 1.00 0.00 C ATOM 1600 C HIS A 110 17.008 -19.752 0.736 1.00 0.00 C ATOM 1601 O HIS A 110 15.963 -19.373 1.268 1.00 0.00 O ATOM 1602 CB HIS A 110 17.781 -17.359 0.742 1.00 0.00 C ATOM 1603 CG HIS A 110 18.255 -17.229 2.161 1.00 0.00 C ATOM 1604 ND1 HIS A 110 19.185 -16.297 2.557 1.00 0.00 N ATOM 1605 CD2 HIS A 110 17.913 -17.911 3.281 1.00 0.00 C ATOM 1606 CE1 HIS A 110 19.399 -16.411 3.853 1.00 0.00 C ATOM 1607 NE2 HIS A 110 18.640 -17.384 4.321 1.00 0.00 N ATOM 0 H HIS A 110 16.848 -18.420 -1.582 1.00 0.00 H new ATOM 0 HA HIS A 110 19.013 -19.052 0.358 1.00 0.00 H new ATOM 0 HB2 HIS A 110 18.304 -16.627 0.127 1.00 0.00 H new ATOM 0 HB3 HIS A 110 16.720 -17.111 0.701 1.00 0.00 H new ATOM 0 HD2 HIS A 110 17.200 -18.720 3.344 1.00 0.00 H new ATOM 0 HE1 HIS A 110 20.081 -15.809 4.434 1.00 0.00 H new ATOM 0 HE2 HIS A 110 18.600 -17.693 5.292 1.00 0.00 H new ATOM 1616 N HIS A 111 17.354 -21.026 0.622 1.00 0.00 N ATOM 1617 CA HIS A 111 16.429 -22.116 0.918 1.00 0.00 C ATOM 1618 C HIS A 111 15.885 -22.054 2.335 1.00 0.00 C ATOM 1619 O HIS A 111 16.630 -22.126 3.316 1.00 0.00 O ATOM 1620 CB HIS A 111 17.095 -23.467 0.665 1.00 0.00 C ATOM 1621 CG HIS A 111 17.149 -23.826 -0.785 1.00 0.00 C ATOM 1622 ND1 HIS A 111 18.198 -23.487 -1.610 1.00 0.00 N ATOM 1623 CD2 HIS A 111 16.263 -24.490 -1.560 1.00 0.00 C ATOM 1624 CE1 HIS A 111 17.952 -23.923 -2.830 1.00 0.00 C ATOM 1625 NE2 HIS A 111 16.786 -24.537 -2.826 1.00 0.00 N ATOM 0 H HIS A 111 18.279 -21.335 0.323 1.00 0.00 H new ATOM 0 HA HIS A 111 15.580 -22.000 0.244 1.00 0.00 H new ATOM 0 HB2 HIS A 111 18.108 -23.448 1.067 1.00 0.00 H new ATOM 0 HB3 HIS A 111 16.551 -24.242 1.206 1.00 0.00 H new ATOM 0 HD2 HIS A 111 15.319 -24.906 -1.241 1.00 0.00 H new ATOM 0 HE1 HIS A 111 18.597 -23.798 -3.687 1.00 0.00 H new ATOM 0 HE2 HIS A 111 16.344 -24.976 -3.634 1.00 0.00 H new ATOM 1634 N HIS A 112 14.574 -21.911 2.426 1.00 0.00 N ATOM 1635 CA HIS A 112 13.890 -21.908 3.703 1.00 0.00 C ATOM 1636 C HIS A 112 13.463 -23.321 4.073 1.00 0.00 C ATOM 1637 O HIS A 112 12.772 -23.993 3.310 1.00 0.00 O ATOM 1638 CB HIS A 112 12.669 -20.980 3.659 1.00 0.00 C ATOM 1639 CG HIS A 112 11.794 -21.079 4.872 1.00 0.00 C ATOM 1640 ND1 HIS A 112 10.700 -21.914 4.939 1.00 0.00 N ATOM 1641 CD2 HIS A 112 11.867 -20.460 6.073 1.00 0.00 C ATOM 1642 CE1 HIS A 112 10.140 -21.809 6.127 1.00 0.00 C ATOM 1643 NE2 HIS A 112 10.829 -20.934 6.835 1.00 0.00 N ATOM 0 H HIS A 112 13.959 -21.795 1.621 1.00 0.00 H new ATOM 0 HA HIS A 112 14.578 -21.537 4.463 1.00 0.00 H new ATOM 0 HB2 HIS A 112 13.010 -19.950 3.551 1.00 0.00 H new ATOM 0 HB3 HIS A 112 12.077 -21.215 2.774 1.00 0.00 H new ATOM 0 HD2 HIS A 112 12.604 -19.730 6.375 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.266 -22.347 6.464 1.00 0.00 H new ATOM 0 HE2 HIS A 112 10.623 -20.655 7.794 1.00 0.00 H new ATOM 1652 N HIS A 113 13.888 -23.761 5.241 1.00 0.00 N ATOM 1653 CA HIS A 113 13.474 -25.049 5.775 1.00 0.00 C ATOM 1654 C HIS A 113 13.011 -24.886 7.213 1.00 0.00 C ATOM 1655 O HIS A 113 13.629 -24.163 7.993 1.00 0.00 O ATOM 1656 CB HIS A 113 14.599 -26.093 5.669 1.00 0.00 C ATOM 1657 CG HIS A 113 15.977 -25.561 5.931 1.00 0.00 C ATOM 1658 ND1 HIS A 113 16.904 -25.383 4.929 1.00 0.00 N ATOM 1659 CD2 HIS A 113 16.587 -25.176 7.077 1.00 0.00 C ATOM 1660 CE1 HIS A 113 18.024 -24.916 5.442 1.00 0.00 C ATOM 1661 NE2 HIS A 113 17.860 -24.780 6.745 1.00 0.00 N ATOM 0 H HIS A 113 14.526 -23.242 5.845 1.00 0.00 H new ATOM 0 HA HIS A 113 12.640 -25.417 5.177 1.00 0.00 H new ATOM 0 HB2 HIS A 113 14.396 -26.899 6.374 1.00 0.00 H new ATOM 0 HB3 HIS A 113 14.577 -26.530 4.671 1.00 0.00 H new ATOM 0 HD2 HIS A 113 16.154 -25.180 8.066 1.00 0.00 H new ATOM 0 HE1 HIS A 113 18.923 -24.684 4.891 1.00 0.00 H new ATOM 0 HE2 HIS A 113 18.564 -24.437 7.399 1.00 0.00 H new ATOM 1670 N HIS A 114 11.909 -25.538 7.545 1.00 0.00 N ATOM 1671 CA HIS A 114 11.297 -25.406 8.858 1.00 0.00 C ATOM 1672 C HIS A 114 11.491 -26.694 9.646 1.00 0.00 C ATOM 1673 O HIS A 114 10.714 -27.643 9.421 1.00 0.00 O ATOM 1674 CB HIS A 114 9.803 -25.098 8.698 1.00 0.00 C ATOM 1675 CG HIS A 114 9.108 -24.674 9.958 1.00 0.00 C ATOM 1676 ND1 HIS A 114 8.394 -23.499 10.056 1.00 0.00 N ATOM 1677 CD2 HIS A 114 8.991 -25.282 11.163 1.00 0.00 C ATOM 1678 CE1 HIS A 114 7.872 -23.403 11.264 1.00 0.00 C ATOM 1679 NE2 HIS A 114 8.217 -24.471 11.954 1.00 0.00 N ATOM 1680 OXT HIS A 114 12.422 -26.759 10.474 1.00 0.00 O ATOM 0 H HIS A 114 11.415 -26.171 6.916 1.00 0.00 H new ATOM 0 HA HIS A 114 11.770 -24.588 9.402 1.00 0.00 H new ATOM 0 HB2 HIS A 114 9.687 -24.310 7.953 1.00 0.00 H new ATOM 0 HB3 HIS A 114 9.304 -25.984 8.305 1.00 0.00 H new ATOM 0 HD1 HIS A 114 8.286 -22.811 9.311 1.00 0.00 H new ATOM 0 HD2 HIS A 114 9.426 -26.229 11.448 1.00 0.00 H new ATOM 0 HE1 HIS A 114 7.264 -22.587 11.626 1.00 0.00 H new TER 1689 HIS A 114