USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 798 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 76 SER OG : rot 171:sc= 0.89 USER MOD Set 1.2: A 90 SER OG : rot -101:sc= 0.99 USER MOD Set 2.1: A 43 ASN : amide:sc= 0.728 K(o=1.4,f=0.16) USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= 0.646 USER MOD Set 3.1: A 20 GLN : amide:sc= 0.949 K(o=2.9,f=-3.6!) USER MOD Set 3.2: A 23 LYS NZ :NH3+ 174:sc= 1.58 (180deg=0) USER MOD Set 3.3: A 25 SER OG : rot 180:sc= 0.404 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0992 (180deg=0) USER MOD Single : A 5 SER OG : rot -47:sc= 0.743 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00612 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -2.48! USER MOD Single : A 19 ASN : amide:sc= -0.0176 K(o=-0.018,f=-1.1) USER MOD Single : A 21 CYS SG : rot 59:sc= 0.33 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= -0.112 (180deg=-0.396!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 7:sc= 0.612 USER MOD Single : A 36 ASN : amide:sc=-0.000865 K(o=-0.00087,f=-0.59) USER MOD Single : A 37 ASN : amide:sc= 0.542 K(o=0.54,f=-3.2!) USER MOD Single : A 38 MET CE :methyl 162:sc= -0.0937 (180deg=-0.51) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= -0.0459 (180deg=-0.25) USER MOD Single : A 54 ASN : amide:sc= 1.19 K(o=1.2,f=-0.074) USER MOD Single : A 55 GLN : amide:sc= 0.103 K(o=0.1,f=-0.45) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.12 F(o=-1.6!,f=-0.12) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0295 USER MOD Single : A 67 GLN :FLIP amide:sc= -1.22 F(o=-2.3!,f=-1.2) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN :FLIP amide:sc= -0.933 F(o=-2.3!,f=-0.93) USER MOD Single : A 71 LYS NZ :NH3+ -165:sc= 0.975 (180deg=0.378) USER MOD Single : A 74 GLN : amide:sc= -0.039 K(o=-0.039,f=-0.91) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= -2.38! C(o=-2.4!,f=-3.7!) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 89 HIS : no HD1:sc= -0.35 X(o=-0.35,f=0.0073) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 170:sc= 0.524 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 172:sc= -0.014 (180deg=-0.129) USER MOD Single : A 104 SER OG : rot -40:sc= 0.448 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -59.562 -23.171 3.452 1.00 39.32 N ATOM 2 CA GLY A 1 -58.280 -23.562 2.825 1.00 39.39 C ATOM 3 C GLY A 1 -57.650 -24.741 3.530 1.00 39.02 C ATOM 4 O GLY A 1 -58.046 -25.074 4.648 1.00 38.60 O ATOM 0 H1 GLY A 1 -60.342 -23.346 2.786 1.00 39.32 H new ATOM 0 H2 GLY A 1 -59.711 -23.731 4.315 1.00 39.32 H new ATOM 0 H3 GLY A 1 -59.535 -22.160 3.695 1.00 39.32 H new ATOM 0 HA2 GLY A 1 -58.448 -23.812 1.777 1.00 39.39 H new ATOM 0 HA3 GLY A 1 -57.592 -22.716 2.844 1.00 39.39 H new ATOM 10 N PRO A 2 -56.672 -25.413 2.894 1.00 39.23 N ATOM 11 CA PRO A 2 -55.994 -26.572 3.479 1.00 38.99 C ATOM 12 C PRO A 2 -55.091 -26.189 4.648 1.00 38.70 C ATOM 13 O PRO A 2 -55.179 -26.766 5.729 1.00 39.16 O ATOM 14 CB PRO A 2 -55.162 -27.146 2.321 1.00 39.44 C ATOM 15 CG PRO A 2 -55.633 -26.442 1.094 1.00 39.88 C ATOM 16 CD PRO A 2 -56.167 -25.116 1.550 1.00 39.77 C ATOM 0 HA PRO A 2 -56.708 -27.285 3.891 1.00 38.99 H new ATOM 0 HB2 PRO A 2 -54.097 -26.978 2.484 1.00 39.44 H new ATOM 0 HB3 PRO A 2 -55.305 -28.223 2.233 1.00 39.44 H new ATOM 0 HG2 PRO A 2 -54.817 -26.309 0.384 1.00 39.88 H new ATOM 0 HG3 PRO A 2 -56.406 -27.019 0.587 1.00 39.88 H new ATOM 0 HD2 PRO A 2 -55.390 -24.352 1.570 1.00 39.77 H new ATOM 0 HD3 PRO A 2 -56.956 -24.750 0.893 1.00 39.77 H new ATOM 24 N LEU A 3 -54.214 -25.220 4.430 1.00 37.99 N ATOM 25 CA LEU A 3 -53.326 -24.753 5.486 1.00 37.71 C ATOM 26 C LEU A 3 -53.708 -23.339 5.891 1.00 36.95 C ATOM 27 O LEU A 3 -54.311 -23.122 6.940 1.00 36.88 O ATOM 28 CB LEU A 3 -51.852 -24.785 5.047 1.00 37.68 C ATOM 29 CG LEU A 3 -51.253 -26.175 4.800 1.00 38.25 C ATOM 30 CD1 LEU A 3 -51.727 -26.755 3.477 1.00 38.55 C ATOM 31 CD2 LEU A 3 -49.731 -26.111 4.834 1.00 38.67 C ATOM 0 H LEU A 3 -54.098 -24.743 3.536 1.00 37.99 H new ATOM 0 HA LEU A 3 -53.437 -25.426 6.336 1.00 37.71 H new ATOM 0 HB2 LEU A 3 -51.754 -24.201 4.132 1.00 37.68 H new ATOM 0 HB3 LEU A 3 -51.256 -24.285 5.810 1.00 37.68 H new ATOM 0 HG LEU A 3 -51.597 -26.833 5.598 1.00 38.25 H new ATOM 0 HD11 LEU A 3 -51.284 -27.740 3.332 1.00 38.55 H new ATOM 0 HD12 LEU A 3 -52.813 -26.843 3.487 1.00 38.55 H new ATOM 0 HD13 LEU A 3 -51.424 -26.098 2.662 1.00 38.55 H new ATOM 0 HD21 LEU A 3 -49.321 -27.105 4.657 1.00 38.67 H new ATOM 0 HD22 LEU A 3 -49.378 -25.430 4.060 1.00 38.67 H new ATOM 0 HD23 LEU A 3 -49.404 -25.752 5.810 1.00 38.67 H new ATOM 43 N GLY A 4 -53.360 -22.381 5.044 1.00 36.42 N ATOM 44 CA GLY A 4 -53.717 -21.006 5.304 1.00 35.70 C ATOM 45 C GLY A 4 -54.185 -20.305 4.047 1.00 35.18 C ATOM 46 O GLY A 4 -55.358 -19.960 3.927 1.00 34.80 O ATOM 0 H GLY A 4 -52.837 -22.534 4.182 1.00 36.42 H new ATOM 0 HA2 GLY A 4 -54.505 -20.970 6.056 1.00 35.70 H new ATOM 0 HA3 GLY A 4 -52.858 -20.478 5.717 1.00 35.70 H new ATOM 50 N SER A 5 -53.260 -20.114 3.107 1.00 35.22 N ATOM 51 CA SER A 5 -53.543 -19.429 1.851 1.00 34.83 C ATOM 52 C SER A 5 -53.948 -17.970 2.096 1.00 34.57 C ATOM 53 O SER A 5 -54.536 -17.323 1.229 1.00 34.37 O ATOM 54 CB SER A 5 -54.634 -20.177 1.064 1.00 34.91 C ATOM 55 OG SER A 5 -54.823 -19.603 -0.220 1.00 35.05 O ATOM 0 H SER A 5 -52.294 -20.430 3.197 1.00 35.22 H new ATOM 0 HA SER A 5 -52.631 -19.424 1.254 1.00 34.83 H new ATOM 0 HB2 SER A 5 -54.357 -21.226 0.959 1.00 34.91 H new ATOM 0 HB3 SER A 5 -55.571 -20.149 1.620 1.00 34.91 H new ATOM 0 HG SER A 5 -54.885 -18.628 -0.137 1.00 35.05 H new ATOM 61 N THR A 6 -53.601 -17.451 3.271 1.00 34.64 N ATOM 62 CA THR A 6 -53.930 -16.082 3.636 1.00 34.51 C ATOM 63 C THR A 6 -53.224 -15.083 2.716 1.00 33.81 C ATOM 64 O THR A 6 -53.787 -14.046 2.355 1.00 33.44 O ATOM 65 CB THR A 6 -53.524 -15.815 5.092 1.00 34.85 C ATOM 66 OG1 THR A 6 -53.935 -16.917 5.911 1.00 35.00 O ATOM 67 CG2 THR A 6 -54.148 -14.527 5.609 1.00 35.32 C ATOM 0 H THR A 6 -53.089 -17.964 3.988 1.00 34.64 H new ATOM 0 HA THR A 6 -55.007 -15.952 3.527 1.00 34.51 H new ATOM 0 HB THR A 6 -52.440 -15.706 5.134 1.00 34.85 H new ATOM 0 HG1 THR A 6 -53.675 -16.749 6.841 1.00 35.00 H new ATOM 0 HG21 THR A 6 -53.843 -14.364 6.643 1.00 35.32 H new ATOM 0 HG22 THR A 6 -53.815 -13.690 4.996 1.00 35.32 H new ATOM 0 HG23 THR A 6 -55.234 -14.603 5.559 1.00 35.32 H new ATOM 75 N SER A 7 -51.989 -15.415 2.342 1.00 33.71 N ATOM 76 CA SER A 7 -51.199 -14.587 1.438 1.00 33.13 C ATOM 77 C SER A 7 -51.788 -14.620 0.032 1.00 32.43 C ATOM 78 O SER A 7 -51.530 -15.546 -0.741 1.00 32.42 O ATOM 79 CB SER A 7 -49.753 -15.090 1.402 1.00 33.49 C ATOM 80 OG SER A 7 -49.258 -15.326 2.713 1.00 33.98 O ATOM 0 H SER A 7 -51.512 -16.260 2.656 1.00 33.71 H new ATOM 0 HA SER A 7 -51.217 -13.560 1.803 1.00 33.13 H new ATOM 0 HB2 SER A 7 -49.700 -16.010 0.819 1.00 33.49 H new ATOM 0 HB3 SER A 7 -49.123 -14.357 0.899 1.00 33.49 H new ATOM 0 HG SER A 7 -48.334 -15.648 2.661 1.00 33.98 H new ATOM 86 N LEU A 8 -52.598 -13.627 -0.291 1.00 31.93 N ATOM 87 CA LEU A 8 -53.245 -13.573 -1.591 1.00 31.32 C ATOM 88 C LEU A 8 -52.441 -12.731 -2.567 1.00 30.56 C ATOM 89 O LEU A 8 -52.609 -11.515 -2.647 1.00 30.33 O ATOM 90 CB LEU A 8 -54.671 -13.024 -1.479 1.00 31.31 C ATOM 91 CG LEU A 8 -55.655 -13.912 -0.722 1.00 32.11 C ATOM 92 CD1 LEU A 8 -57.024 -13.263 -0.695 1.00 32.24 C ATOM 93 CD2 LEU A 8 -55.736 -15.287 -1.365 1.00 32.31 C ATOM 0 H LEU A 8 -52.823 -12.848 0.328 1.00 31.93 H new ATOM 0 HA LEU A 8 -53.296 -14.594 -1.970 1.00 31.32 H new ATOM 0 HB2 LEU A 8 -54.631 -12.052 -0.986 1.00 31.31 H new ATOM 0 HB3 LEU A 8 -55.058 -12.856 -2.484 1.00 31.31 H new ATOM 0 HG LEU A 8 -55.300 -14.032 0.302 1.00 32.11 H new ATOM 0 HD11 LEU A 8 -57.720 -13.904 -0.153 1.00 32.24 H new ATOM 0 HD12 LEU A 8 -56.958 -12.296 -0.197 1.00 32.24 H new ATOM 0 HD13 LEU A 8 -57.380 -13.122 -1.716 1.00 32.24 H new ATOM 0 HD21 LEU A 8 -56.442 -15.906 -0.812 1.00 32.31 H new ATOM 0 HD22 LEU A 8 -56.072 -15.187 -2.397 1.00 32.31 H new ATOM 0 HD23 LEU A 8 -54.752 -15.755 -1.348 1.00 32.31 H new ATOM 105 N VAL A 9 -51.545 -13.380 -3.283 1.00 30.24 N ATOM 106 CA VAL A 9 -50.794 -12.725 -4.332 1.00 29.57 C ATOM 107 C VAL A 9 -51.164 -13.339 -5.685 1.00 29.50 C ATOM 108 O VAL A 9 -50.641 -14.375 -6.092 1.00 29.74 O ATOM 109 CB VAL A 9 -49.268 -12.779 -4.071 1.00 29.39 C ATOM 110 CG1 VAL A 9 -48.774 -14.207 -3.886 1.00 28.95 C ATOM 111 CG2 VAL A 9 -48.513 -12.081 -5.191 1.00 29.66 C ATOM 0 H VAL A 9 -51.319 -14.366 -3.155 1.00 30.24 H new ATOM 0 HA VAL A 9 -51.061 -11.668 -4.344 1.00 29.57 H new ATOM 0 HB VAL A 9 -49.073 -12.250 -3.138 1.00 29.39 H new ATOM 0 HG11 VAL A 9 -47.699 -14.200 -3.705 1.00 28.95 H new ATOM 0 HG12 VAL A 9 -49.282 -14.660 -3.035 1.00 28.95 H new ATOM 0 HG13 VAL A 9 -48.987 -14.785 -4.785 1.00 28.95 H new ATOM 0 HG21 VAL A 9 -47.442 -12.128 -4.992 1.00 29.66 H new ATOM 0 HG22 VAL A 9 -48.728 -12.575 -6.138 1.00 29.66 H new ATOM 0 HG23 VAL A 9 -48.826 -11.039 -5.246 1.00 29.66 H new ATOM 121 N GLN A 10 -52.107 -12.696 -6.353 1.00 29.28 N ATOM 122 CA GLN A 10 -52.713 -13.233 -7.566 1.00 29.30 C ATOM 123 C GLN A 10 -51.698 -13.378 -8.692 1.00 28.60 C ATOM 124 O GLN A 10 -51.765 -14.317 -9.484 1.00 28.70 O ATOM 125 CB GLN A 10 -53.871 -12.334 -8.007 1.00 29.33 C ATOM 126 CG GLN A 10 -54.703 -12.898 -9.148 1.00 29.73 C ATOM 127 CD GLN A 10 -55.898 -12.024 -9.484 1.00 30.01 C ATOM 128 OE1 GLN A 10 -56.981 -12.190 -8.918 1.00 30.47 O ATOM 129 NE2 GLN A 10 -55.718 -11.091 -10.409 1.00 29.80 N ATOM 0 H GLN A 10 -52.476 -11.787 -6.072 1.00 29.28 H new ATOM 0 HA GLN A 10 -53.090 -14.230 -7.339 1.00 29.30 H new ATOM 0 HB2 GLN A 10 -54.523 -12.155 -7.152 1.00 29.33 H new ATOM 0 HB3 GLN A 10 -53.470 -11.367 -8.309 1.00 29.33 H new ATOM 0 HG2 GLN A 10 -54.075 -13.005 -10.033 1.00 29.73 H new ATOM 0 HG3 GLN A 10 -55.051 -13.896 -8.881 1.00 29.73 H new ATOM 0 HE21 GLN A 10 -54.807 -10.984 -10.855 1.00 29.80 H new ATOM 0 HE22 GLN A 10 -56.491 -10.480 -10.674 1.00 29.80 H new ATOM 138 N GLY A 11 -50.749 -12.461 -8.750 1.00 27.99 N ATOM 139 CA GLY A 11 -49.770 -12.492 -9.816 1.00 27.37 C ATOM 140 C GLY A 11 -48.541 -13.294 -9.468 1.00 27.00 C ATOM 141 O GLY A 11 -47.581 -13.316 -10.236 1.00 26.96 O ATOM 0 H GLY A 11 -50.637 -11.698 -8.082 1.00 27.99 H new ATOM 0 HA2 GLY A 11 -50.229 -12.912 -10.711 1.00 27.37 H new ATOM 0 HA3 GLY A 11 -49.474 -11.472 -10.059 1.00 27.37 H new ATOM 145 N LEU A 12 -48.568 -13.952 -8.313 1.00 26.82 N ATOM 146 CA LEU A 12 -47.409 -14.682 -7.811 1.00 26.55 C ATOM 147 C LEU A 12 -46.219 -13.738 -7.647 1.00 25.80 C ATOM 148 O LEU A 12 -46.383 -12.562 -7.336 1.00 25.54 O ATOM 149 CB LEU A 12 -47.031 -15.838 -8.752 1.00 27.23 C ATOM 150 CG LEU A 12 -48.095 -16.922 -8.929 1.00 28.12 C ATOM 151 CD1 LEU A 12 -47.593 -18.008 -9.871 1.00 28.61 C ATOM 152 CD2 LEU A 12 -48.485 -17.523 -7.583 1.00 28.64 C ATOM 0 H LEU A 12 -49.385 -13.994 -7.704 1.00 26.82 H new ATOM 0 HA LEU A 12 -47.672 -15.101 -6.840 1.00 26.55 H new ATOM 0 HB2 LEU A 12 -46.795 -15.423 -9.732 1.00 27.23 H new ATOM 0 HB3 LEU A 12 -46.121 -16.306 -8.376 1.00 27.23 H new ATOM 0 HG LEU A 12 -48.982 -16.463 -9.367 1.00 28.12 H new ATOM 0 HD11 LEU A 12 -48.361 -18.773 -9.987 1.00 28.61 H new ATOM 0 HD12 LEU A 12 -47.367 -17.570 -10.843 1.00 28.61 H new ATOM 0 HD13 LEU A 12 -46.691 -18.460 -9.458 1.00 28.61 H new ATOM 0 HD21 LEU A 12 -49.243 -18.292 -7.734 1.00 28.64 H new ATOM 0 HD22 LEU A 12 -47.607 -17.967 -7.114 1.00 28.64 H new ATOM 0 HD23 LEU A 12 -48.885 -16.741 -6.937 1.00 28.64 H new ATOM 164 N THR A 13 -45.032 -14.259 -7.862 1.00 25.53 N ATOM 165 CA THR A 13 -43.807 -13.484 -7.715 1.00 24.91 C ATOM 166 C THR A 13 -42.967 -13.432 -9.003 1.00 24.79 C ATOM 167 O THR A 13 -42.424 -12.377 -9.328 1.00 24.22 O ATOM 168 CB THR A 13 -42.952 -14.012 -6.549 1.00 24.58 C ATOM 169 OG1 THR A 13 -43.012 -15.444 -6.492 1.00 24.93 O ATOM 170 CG2 THR A 13 -43.426 -13.427 -5.229 1.00 24.35 C ATOM 0 H THR A 13 -44.882 -15.228 -8.143 1.00 25.53 H new ATOM 0 HA THR A 13 -44.123 -12.464 -7.496 1.00 24.91 H new ATOM 0 HB THR A 13 -41.920 -13.705 -6.720 1.00 24.58 H new ATOM 0 HG1 THR A 13 -42.462 -15.765 -5.747 1.00 24.93 H new ATOM 0 HG21 THR A 13 -42.809 -13.813 -4.418 1.00 24.35 H new ATOM 0 HG22 THR A 13 -43.344 -12.341 -5.262 1.00 24.35 H new ATOM 0 HG23 THR A 13 -44.465 -13.708 -5.059 1.00 24.35 H new ATOM 178 N PRO A 14 -42.822 -14.558 -9.751 1.00 25.42 N ATOM 179 CA PRO A 14 -42.073 -14.562 -11.016 1.00 25.50 C ATOM 180 C PRO A 14 -42.553 -13.505 -12.032 1.00 24.95 C ATOM 181 O PRO A 14 -41.734 -12.722 -12.516 1.00 24.63 O ATOM 182 CB PRO A 14 -42.276 -15.986 -11.559 1.00 26.39 C ATOM 183 CG PRO A 14 -42.580 -16.807 -10.359 1.00 26.81 C ATOM 184 CD PRO A 14 -43.318 -15.907 -9.417 1.00 26.21 C ATOM 0 HA PRO A 14 -41.028 -14.301 -10.850 1.00 25.50 H new ATOM 0 HB2 PRO A 14 -43.092 -16.022 -12.281 1.00 26.39 H new ATOM 0 HB3 PRO A 14 -41.383 -16.346 -12.070 1.00 26.39 H new ATOM 0 HG2 PRO A 14 -43.185 -17.675 -10.623 1.00 26.81 H new ATOM 0 HG3 PRO A 14 -41.665 -17.183 -9.902 1.00 26.81 H new ATOM 0 HD2 PRO A 14 -44.397 -15.982 -9.556 1.00 26.21 H new ATOM 0 HD3 PRO A 14 -43.112 -16.162 -8.377 1.00 26.21 H new ATOM 192 N PRO A 15 -43.866 -13.454 -12.388 1.00 24.93 N ATOM 193 CA PRO A 15 -44.374 -12.470 -13.363 1.00 24.50 C ATOM 194 C PRO A 15 -44.126 -11.000 -12.966 1.00 23.52 C ATOM 195 O PRO A 15 -43.583 -10.239 -13.771 1.00 23.07 O ATOM 196 CB PRO A 15 -45.875 -12.781 -13.454 1.00 25.00 C ATOM 197 CG PRO A 15 -45.997 -14.186 -12.979 1.00 25.60 C ATOM 198 CD PRO A 15 -44.949 -14.342 -11.917 1.00 25.43 C ATOM 0 HA PRO A 15 -43.851 -12.562 -14.315 1.00 24.50 H new ATOM 0 HB2 PRO A 15 -46.459 -12.101 -12.834 1.00 25.00 H new ATOM 0 HB3 PRO A 15 -46.241 -12.675 -14.475 1.00 25.00 H new ATOM 0 HG2 PRO A 15 -46.992 -14.380 -12.580 1.00 25.60 H new ATOM 0 HG3 PRO A 15 -45.837 -14.891 -13.795 1.00 25.60 H new ATOM 0 HD2 PRO A 15 -45.320 -14.042 -10.937 1.00 25.43 H new ATOM 0 HD3 PRO A 15 -44.614 -15.376 -11.829 1.00 25.43 H new ATOM 206 N PRO A 16 -44.527 -10.545 -11.750 1.00 23.25 N ATOM 207 CA PRO A 16 -44.269 -9.170 -11.324 1.00 22.42 C ATOM 208 C PRO A 16 -42.823 -8.973 -10.879 1.00 22.03 C ATOM 209 O PRO A 16 -42.416 -9.421 -9.807 1.00 22.10 O ATOM 210 CB PRO A 16 -45.235 -8.964 -10.158 1.00 22.52 C ATOM 211 CG PRO A 16 -45.430 -10.319 -9.581 1.00 23.30 C ATOM 212 CD PRO A 16 -45.258 -11.301 -10.711 1.00 23.82 C ATOM 0 HA PRO A 16 -44.416 -8.454 -12.132 1.00 22.42 H new ATOM 0 HB2 PRO A 16 -44.823 -8.276 -9.420 1.00 22.52 H new ATOM 0 HB3 PRO A 16 -46.180 -8.539 -10.498 1.00 22.52 H new ATOM 0 HG2 PRO A 16 -44.706 -10.510 -8.789 1.00 23.30 H new ATOM 0 HG3 PRO A 16 -46.421 -10.411 -9.136 1.00 23.30 H new ATOM 0 HD2 PRO A 16 -44.698 -12.180 -10.391 1.00 23.82 H new ATOM 0 HD3 PRO A 16 -46.221 -11.654 -11.080 1.00 23.82 H new ATOM 220 N ASP A 17 -42.045 -8.317 -11.722 1.00 21.73 N ATOM 221 CA ASP A 17 -40.633 -8.100 -11.447 1.00 21.48 C ATOM 222 C ASP A 17 -40.439 -7.075 -10.330 1.00 20.70 C ATOM 223 O ASP A 17 -40.623 -5.871 -10.522 1.00 20.31 O ATOM 224 CB ASP A 17 -39.895 -7.665 -12.721 1.00 21.48 C ATOM 225 CG ASP A 17 -40.443 -6.390 -13.339 1.00 21.55 C ATOM 226 OD1 ASP A 17 -41.643 -6.357 -13.690 1.00 21.80 O ATOM 227 OD2 ASP A 17 -39.679 -5.416 -13.482 1.00 21.44 O ATOM 0 H ASP A 17 -42.367 -7.924 -12.606 1.00 21.73 H new ATOM 0 HA ASP A 17 -40.207 -9.045 -11.109 1.00 21.48 H new ATOM 0 HB2 ASP A 17 -38.840 -7.521 -12.488 1.00 21.48 H new ATOM 0 HB3 ASP A 17 -39.952 -8.468 -13.456 1.00 21.48 H new ATOM 232 N PHE A 18 -40.104 -7.568 -9.145 1.00 20.58 N ATOM 233 CA PHE A 18 -39.806 -6.703 -8.013 1.00 19.96 C ATOM 234 C PHE A 18 -38.360 -6.221 -8.097 1.00 19.47 C ATOM 235 O PHE A 18 -38.103 -5.015 -8.165 1.00 19.17 O ATOM 236 CB PHE A 18 -40.051 -7.437 -6.689 1.00 20.48 C ATOM 237 CG PHE A 18 -41.469 -7.892 -6.499 1.00 20.66 C ATOM 238 CD1 PHE A 18 -42.471 -6.980 -6.192 1.00 20.54 C ATOM 239 CD2 PHE A 18 -41.803 -9.230 -6.634 1.00 21.10 C ATOM 240 CE1 PHE A 18 -43.776 -7.400 -6.022 1.00 20.84 C ATOM 241 CE2 PHE A 18 -43.106 -9.652 -6.464 1.00 21.40 C ATOM 242 CZ PHE A 18 -44.093 -8.728 -6.136 1.00 21.27 C ATOM 0 H PHE A 18 -40.032 -8.565 -8.943 1.00 20.58 H new ATOM 0 HA PHE A 18 -40.470 -5.840 -8.048 1.00 19.96 H new ATOM 0 HB2 PHE A 18 -39.392 -8.304 -6.638 1.00 20.48 H new ATOM 0 HB3 PHE A 18 -39.777 -6.779 -5.864 1.00 20.48 H new ATOM 0 HD1 PHE A 18 -42.228 -5.933 -6.085 1.00 20.54 H new ATOM 0 HD2 PHE A 18 -41.035 -9.950 -6.875 1.00 21.10 H new ATOM 0 HE1 PHE A 18 -44.549 -6.679 -5.799 1.00 20.84 H new ATOM 0 HE2 PHE A 18 -43.358 -10.695 -6.585 1.00 21.40 H new ATOM 0 HZ PHE A 18 -45.108 -9.057 -5.971 1.00 21.27 H new ATOM 252 N ASN A 19 -37.428 -7.183 -8.084 1.00 19.51 N ATOM 253 CA ASN A 19 -35.988 -6.925 -8.272 1.00 19.22 C ATOM 254 C ASN A 19 -35.343 -6.211 -7.084 1.00 18.44 C ATOM 255 O ASN A 19 -34.348 -6.686 -6.542 1.00 18.17 O ATOM 256 CB ASN A 19 -35.727 -6.121 -9.550 1.00 19.70 C ATOM 257 CG ASN A 19 -35.969 -6.921 -10.812 1.00 20.22 C ATOM 258 OD1 ASN A 19 -35.796 -8.139 -10.831 1.00 20.50 O ATOM 259 ND2 ASN A 19 -36.369 -6.239 -11.872 1.00 20.47 N ATOM 0 H ASN A 19 -37.650 -8.169 -7.942 1.00 19.51 H new ATOM 0 HA ASN A 19 -35.526 -7.908 -8.357 1.00 19.22 H new ATOM 0 HB2 ASN A 19 -36.369 -5.240 -9.556 1.00 19.70 H new ATOM 0 HB3 ASN A 19 -34.697 -5.764 -9.544 1.00 19.70 H new ATOM 0 HD21 ASN A 19 -36.547 -6.723 -12.752 1.00 20.47 H new ATOM 0 HD22 ASN A 19 -36.499 -5.229 -11.809 1.00 20.47 H new ATOM 266 N GLN A 20 -35.901 -5.068 -6.699 1.00 18.18 N ATOM 267 CA GLN A 20 -35.335 -4.238 -5.635 1.00 17.53 C ATOM 268 C GLN A 20 -35.261 -4.972 -4.298 1.00 17.18 C ATOM 269 O GLN A 20 -34.373 -4.704 -3.493 1.00 16.92 O ATOM 270 CB GLN A 20 -36.150 -2.950 -5.464 1.00 17.65 C ATOM 271 CG GLN A 20 -37.649 -3.180 -5.338 1.00 18.17 C ATOM 272 CD GLN A 20 -38.401 -1.919 -4.970 1.00 18.45 C ATOM 273 OE1 GLN A 20 -38.612 -1.632 -3.790 1.00 18.40 O ATOM 274 NE2 GLN A 20 -38.802 -1.154 -5.972 1.00 18.86 N ATOM 0 H GLN A 20 -36.754 -4.690 -7.112 1.00 18.18 H new ATOM 0 HA GLN A 20 -34.317 -3.994 -5.939 1.00 17.53 H new ATOM 0 HB2 GLN A 20 -35.797 -2.424 -4.577 1.00 17.65 H new ATOM 0 HB3 GLN A 20 -35.963 -2.298 -6.317 1.00 17.65 H new ATOM 0 HG2 GLN A 20 -38.034 -3.566 -6.282 1.00 18.17 H new ATOM 0 HG3 GLN A 20 -37.834 -3.943 -4.582 1.00 18.17 H new ATOM 0 HE21 GLN A 20 -38.606 -1.430 -6.934 1.00 18.86 H new ATOM 0 HE22 GLN A 20 -39.307 -0.288 -5.782 1.00 18.86 H new ATOM 283 N CYS A 21 -36.193 -5.893 -4.079 1.00 17.29 N ATOM 284 CA CYS A 21 -36.292 -6.632 -2.819 1.00 17.13 C ATOM 285 C CYS A 21 -36.630 -5.697 -1.656 1.00 16.75 C ATOM 286 O CYS A 21 -36.979 -4.532 -1.861 1.00 16.28 O ATOM 287 CB CYS A 21 -34.991 -7.392 -2.532 1.00 16.85 C ATOM 288 SG CYS A 21 -34.554 -8.609 -3.791 1.00 17.55 S ATOM 0 H CYS A 21 -36.901 -6.150 -4.766 1.00 17.29 H new ATOM 0 HA CYS A 21 -37.102 -7.355 -2.920 1.00 17.13 H new ATOM 0 HB2 CYS A 21 -34.177 -6.674 -2.438 1.00 16.85 H new ATOM 0 HB3 CYS A 21 -35.083 -7.897 -1.570 1.00 16.85 H new ATOM 0 HG CYS A 21 -34.435 -8.018 -4.943 1.00 17.55 H new ATOM 294 N LEU A 22 -36.550 -6.214 -0.435 1.00 17.08 N ATOM 295 CA LEU A 22 -36.889 -5.428 0.741 1.00 16.96 C ATOM 296 C LEU A 22 -35.662 -4.707 1.280 1.00 16.12 C ATOM 297 O LEU A 22 -34.907 -5.244 2.091 1.00 16.24 O ATOM 298 CB LEU A 22 -37.517 -6.304 1.834 1.00 17.70 C ATOM 299 CG LEU A 22 -38.891 -6.917 1.493 1.00 18.56 C ATOM 300 CD1 LEU A 22 -39.802 -5.879 0.855 1.00 18.72 C ATOM 301 CD2 LEU A 22 -38.748 -8.128 0.583 1.00 19.08 C ATOM 0 H LEU A 22 -36.255 -7.170 -0.236 1.00 17.08 H new ATOM 0 HA LEU A 22 -37.626 -4.683 0.440 1.00 16.96 H new ATOM 0 HB2 LEU A 22 -36.826 -7.114 2.066 1.00 17.70 H new ATOM 0 HB3 LEU A 22 -37.621 -5.705 2.739 1.00 17.70 H new ATOM 0 HG LEU A 22 -39.344 -7.250 2.427 1.00 18.56 H new ATOM 0 HD11 LEU A 22 -40.765 -6.334 0.623 1.00 18.72 H new ATOM 0 HD12 LEU A 22 -39.949 -5.050 1.547 1.00 18.72 H new ATOM 0 HD13 LEU A 22 -39.345 -5.509 -0.063 1.00 18.72 H new ATOM 0 HD21 LEU A 22 -39.734 -8.536 0.362 1.00 19.08 H new ATOM 0 HD22 LEU A 22 -38.262 -7.830 -0.346 1.00 19.08 H new ATOM 0 HD23 LEU A 22 -38.144 -8.887 1.080 1.00 19.08 H new ATOM 313 N LYS A 23 -35.455 -3.497 0.792 1.00 15.37 N ATOM 314 CA LYS A 23 -34.321 -2.687 1.221 1.00 14.61 C ATOM 315 C LYS A 23 -34.768 -1.543 2.116 1.00 14.25 C ATOM 316 O LYS A 23 -33.950 -0.718 2.521 1.00 13.68 O ATOM 317 CB LYS A 23 -33.549 -2.137 0.017 1.00 14.14 C ATOM 318 CG LYS A 23 -34.176 -2.444 -1.335 1.00 14.53 C ATOM 319 CD LYS A 23 -35.108 -1.345 -1.827 1.00 14.23 C ATOM 320 CE LYS A 23 -36.406 -1.255 -1.047 1.00 14.39 C ATOM 321 NZ LYS A 23 -37.388 -0.375 -1.730 1.00 14.38 N ATOM 0 H LYS A 23 -36.055 -3.051 0.098 1.00 15.37 H new ATOM 0 HA LYS A 23 -33.658 -3.336 1.794 1.00 14.61 H new ATOM 0 HB2 LYS A 23 -33.459 -1.056 0.123 1.00 14.14 H new ATOM 0 HB3 LYS A 23 -32.538 -2.544 0.034 1.00 14.14 H new ATOM 0 HG2 LYS A 23 -33.385 -2.596 -2.069 1.00 14.53 H new ATOM 0 HG3 LYS A 23 -34.732 -3.379 -1.267 1.00 14.53 H new ATOM 0 HD2 LYS A 23 -34.591 -0.388 -1.767 1.00 14.23 H new ATOM 0 HD3 LYS A 23 -35.337 -1.518 -2.879 1.00 14.23 H new ATOM 0 HE2 LYS A 23 -36.830 -2.252 -0.927 1.00 14.39 H new ATOM 0 HE3 LYS A 23 -36.205 -0.871 -0.047 1.00 14.39 H new ATOM 0 HZ1 LYS A 23 -38.298 -0.414 -1.227 1.00 14.38 H new ATOM 0 HZ2 LYS A 23 -37.035 0.603 -1.732 1.00 14.38 H new ATOM 0 HZ3 LYS A 23 -37.520 -0.697 -2.710 1.00 14.38 H new ATOM 335 N ASN A 24 -36.073 -1.499 2.404 1.00 14.73 N ATOM 336 CA ASN A 24 -36.665 -0.498 3.307 1.00 14.67 C ATOM 337 C ASN A 24 -36.751 0.896 2.682 1.00 13.87 C ATOM 338 O ASN A 24 -37.800 1.534 2.735 1.00 14.11 O ATOM 339 CB ASN A 24 -35.873 -0.406 4.612 1.00 14.94 C ATOM 340 CG ASN A 24 -36.094 -1.587 5.541 1.00 15.80 C ATOM 341 OD1 ASN A 24 -37.043 -1.602 6.321 1.00 16.18 O ATOM 342 ND2 ASN A 24 -35.203 -2.569 5.488 1.00 16.23 N ATOM 0 H ASN A 24 -36.752 -2.156 2.019 1.00 14.73 H new ATOM 0 HA ASN A 24 -37.681 -0.841 3.505 1.00 14.67 H new ATOM 0 HB2 ASN A 24 -34.811 -0.332 4.378 1.00 14.94 H new ATOM 0 HB3 ASN A 24 -36.150 0.511 5.132 1.00 14.94 H new ATOM 0 HD21 ASN A 24 -35.293 -3.373 6.109 1.00 16.23 H new ATOM 0 HD22 ASN A 24 -34.428 -2.520 4.826 1.00 16.23 H new ATOM 349 N SER A 25 -35.641 1.348 2.096 1.00 13.05 N ATOM 350 CA SER A 25 -35.495 2.721 1.610 1.00 12.28 C ATOM 351 C SER A 25 -35.508 3.683 2.796 1.00 12.15 C ATOM 352 O SER A 25 -36.507 4.351 3.061 1.00 12.30 O ATOM 353 CB SER A 25 -36.588 3.101 0.604 1.00 12.37 C ATOM 354 OG SER A 25 -36.703 2.135 -0.427 1.00 12.97 O ATOM 0 H SER A 25 -34.815 0.770 1.945 1.00 13.05 H new ATOM 0 HA SER A 25 -34.542 2.791 1.085 1.00 12.28 H new ATOM 0 HB2 SER A 25 -37.542 3.198 1.121 1.00 12.37 H new ATOM 0 HB3 SER A 25 -36.361 4.074 0.169 1.00 12.37 H new ATOM 0 HG SER A 25 -37.409 2.405 -1.051 1.00 12.97 H new ATOM 360 N PRO A 26 -34.406 3.729 3.561 1.00 12.10 N ATOM 361 CA PRO A 26 -34.326 4.549 4.759 1.00 12.18 C ATOM 362 C PRO A 26 -33.860 5.980 4.488 1.00 11.48 C ATOM 363 O PRO A 26 -34.594 6.937 4.724 1.00 11.60 O ATOM 364 CB PRO A 26 -33.308 3.802 5.623 1.00 12.53 C ATOM 365 CG PRO A 26 -32.487 2.964 4.686 1.00 12.59 C ATOM 366 CD PRO A 26 -33.164 2.969 3.336 1.00 12.23 C ATOM 0 HA PRO A 26 -35.303 4.673 5.225 1.00 12.18 H new ATOM 0 HB2 PRO A 26 -32.677 4.502 6.172 1.00 12.53 H new ATOM 0 HB3 PRO A 26 -33.810 3.178 6.362 1.00 12.53 H new ATOM 0 HG2 PRO A 26 -31.476 3.363 4.606 1.00 12.59 H new ATOM 0 HG3 PRO A 26 -32.399 1.945 5.064 1.00 12.59 H new ATOM 0 HD2 PRO A 26 -32.539 3.441 2.578 1.00 12.23 H new ATOM 0 HD3 PRO A 26 -33.373 1.956 2.991 1.00 12.23 H new ATOM 374 N ASP A 27 -32.650 6.116 3.972 1.00 10.92 N ATOM 375 CA ASP A 27 -32.017 7.421 3.825 1.00 10.34 C ATOM 376 C ASP A 27 -31.525 7.606 2.398 1.00 9.92 C ATOM 377 O ASP A 27 -30.376 7.969 2.151 1.00 10.16 O ATOM 378 CB ASP A 27 -30.849 7.521 4.801 1.00 10.24 C ATOM 379 CG ASP A 27 -30.310 8.925 4.929 1.00 10.06 C ATOM 380 OD1 ASP A 27 -31.108 9.882 4.893 1.00 9.96 O ATOM 381 OD2 ASP A 27 -29.078 9.075 5.054 1.00 10.17 O ATOM 0 H ASP A 27 -32.081 5.335 3.645 1.00 10.92 H new ATOM 0 HA ASP A 27 -32.742 8.205 4.044 1.00 10.34 H new ATOM 0 HB2 ASP A 27 -31.170 7.170 5.782 1.00 10.24 H new ATOM 0 HB3 ASP A 27 -30.049 6.858 4.471 1.00 10.24 H new ATOM 386 N GLU A 28 -32.429 7.408 1.462 1.00 9.51 N ATOM 387 CA GLU A 28 -32.075 7.342 0.054 1.00 9.33 C ATOM 388 C GLU A 28 -32.390 8.647 -0.645 1.00 8.90 C ATOM 389 O GLU A 28 -32.916 8.668 -1.760 1.00 9.13 O ATOM 390 CB GLU A 28 -32.810 6.187 -0.615 1.00 10.13 C ATOM 391 CG GLU A 28 -32.198 4.838 -0.304 1.00 10.77 C ATOM 392 CD GLU A 28 -30.729 4.777 -0.673 1.00 11.21 C ATOM 393 OE1 GLU A 28 -29.881 5.097 0.190 1.00 11.40 O ATOM 394 OE2 GLU A 28 -30.416 4.390 -1.815 1.00 11.54 O ATOM 0 H GLU A 28 -33.424 7.289 1.650 1.00 9.51 H new ATOM 0 HA GLU A 28 -31.001 7.170 -0.024 1.00 9.33 H new ATOM 0 HB2 GLU A 28 -33.851 6.191 -0.293 1.00 10.13 H new ATOM 0 HB3 GLU A 28 -32.810 6.340 -1.694 1.00 10.13 H new ATOM 0 HG2 GLU A 28 -32.313 4.625 0.759 1.00 10.77 H new ATOM 0 HG3 GLU A 28 -32.739 4.062 -0.845 1.00 10.77 H new ATOM 401 N LYS A 29 -32.059 9.737 0.018 1.00 8.50 N ATOM 402 CA LYS A 29 -32.200 11.054 -0.575 1.00 8.24 C ATOM 403 C LYS A 29 -30.943 11.396 -1.376 1.00 7.81 C ATOM 404 O LYS A 29 -30.863 12.443 -2.010 1.00 7.74 O ATOM 405 CB LYS A 29 -32.513 12.117 0.491 1.00 8.29 C ATOM 406 CG LYS A 29 -31.348 12.537 1.384 1.00 8.34 C ATOM 407 CD LYS A 29 -30.741 11.385 2.164 1.00 8.62 C ATOM 408 CE LYS A 29 -29.241 11.301 1.959 1.00 8.72 C ATOM 409 NZ LYS A 29 -28.547 10.827 3.185 1.00 9.11 N ATOM 0 H LYS A 29 -31.690 9.738 0.969 1.00 8.50 H new ATOM 0 HA LYS A 29 -33.048 11.045 -1.260 1.00 8.24 H new ATOM 0 HB2 LYS A 29 -32.897 13.005 -0.012 1.00 8.29 H new ATOM 0 HB3 LYS A 29 -33.314 11.740 1.127 1.00 8.29 H new ATOM 0 HG2 LYS A 29 -30.575 12.996 0.768 1.00 8.34 H new ATOM 0 HG3 LYS A 29 -31.692 13.298 2.084 1.00 8.34 H new ATOM 0 HD2 LYS A 29 -30.957 11.509 3.225 1.00 8.62 H new ATOM 0 HD3 LYS A 29 -31.204 10.449 1.852 1.00 8.62 H new ATOM 0 HE2 LYS A 29 -29.023 10.625 1.132 1.00 8.72 H new ATOM 0 HE3 LYS A 29 -28.856 12.281 1.678 1.00 8.72 H new ATOM 0 HZ1 LYS A 29 -27.526 11.004 3.096 1.00 9.11 H new ATOM 0 HZ2 LYS A 29 -28.916 11.338 4.012 1.00 9.11 H new ATOM 0 HZ3 LYS A 29 -28.712 9.807 3.305 1.00 9.11 H new ATOM 423 N PHE A 30 -29.958 10.484 -1.294 1.00 7.78 N ATOM 424 CA PHE A 30 -28.785 10.463 -2.179 1.00 7.70 C ATOM 425 C PHE A 30 -28.113 11.832 -2.314 1.00 7.44 C ATOM 426 O PHE A 30 -28.445 12.595 -3.223 1.00 7.61 O ATOM 427 CB PHE A 30 -29.205 9.932 -3.558 1.00 7.98 C ATOM 428 CG PHE A 30 -28.069 9.544 -4.463 1.00 8.78 C ATOM 429 CD1 PHE A 30 -27.232 8.494 -4.129 1.00 9.49 C ATOM 430 CD2 PHE A 30 -27.828 10.248 -5.633 1.00 9.03 C ATOM 431 CE1 PHE A 30 -26.172 8.153 -4.943 1.00 10.39 C ATOM 432 CE2 PHE A 30 -26.770 9.906 -6.453 1.00 9.98 C ATOM 433 CZ PHE A 30 -26.003 8.798 -6.161 1.00 10.64 C ATOM 0 H PHE A 30 -29.956 9.734 -0.603 1.00 7.78 H new ATOM 0 HA PHE A 30 -28.043 9.803 -1.729 1.00 7.70 H new ATOM 0 HB2 PHE A 30 -29.849 9.064 -3.416 1.00 7.98 H new ATOM 0 HB3 PHE A 30 -29.803 10.694 -4.057 1.00 7.98 H new ATOM 0 HD1 PHE A 30 -27.410 7.936 -3.222 1.00 9.49 H new ATOM 0 HD2 PHE A 30 -28.473 11.070 -5.906 1.00 9.03 H new ATOM 0 HE1 PHE A 30 -25.476 7.387 -4.634 1.00 10.39 H new ATOM 0 HE2 PHE A 30 -26.544 10.506 -7.322 1.00 9.98 H new ATOM 0 HZ PHE A 30 -25.277 8.435 -6.873 1.00 10.64 H new ATOM 443 N PHE A 31 -27.205 12.153 -1.374 1.00 7.30 N ATOM 444 CA PHE A 31 -26.437 13.400 -1.395 1.00 7.33 C ATOM 445 C PHE A 31 -27.284 14.531 -0.886 1.00 7.51 C ATOM 446 O PHE A 31 -26.897 15.208 0.057 1.00 7.81 O ATOM 447 CB PHE A 31 -25.864 13.739 -2.773 1.00 7.36 C ATOM 448 CG PHE A 31 -24.762 12.816 -3.222 1.00 7.57 C ATOM 449 CD1 PHE A 31 -23.575 12.742 -2.512 1.00 7.70 C ATOM 450 CD2 PHE A 31 -24.917 12.016 -4.350 1.00 7.97 C ATOM 451 CE1 PHE A 31 -22.564 11.890 -2.913 1.00 8.21 C ATOM 452 CE2 PHE A 31 -23.904 11.165 -4.753 1.00 8.50 C ATOM 453 CZ PHE A 31 -22.728 11.119 -4.071 1.00 8.62 C ATOM 0 H PHE A 31 -26.987 11.551 -0.580 1.00 7.30 H new ATOM 0 HA PHE A 31 -25.580 13.252 -0.738 1.00 7.33 H new ATOM 0 HB2 PHE A 31 -26.669 13.711 -3.507 1.00 7.36 H new ATOM 0 HB3 PHE A 31 -25.484 14.760 -2.756 1.00 7.36 H new ATOM 0 HD1 PHE A 31 -23.438 13.357 -1.635 1.00 7.70 H new ATOM 0 HD2 PHE A 31 -25.836 12.060 -4.916 1.00 7.97 H new ATOM 0 HE1 PHE A 31 -21.653 11.819 -2.337 1.00 8.21 H new ATOM 0 HE2 PHE A 31 -24.048 10.532 -5.616 1.00 8.50 H new ATOM 0 HZ PHE A 31 -21.923 10.490 -4.421 1.00 8.62 H new ATOM 463 N SER A 32 -28.434 14.705 -1.519 1.00 7.60 N ATOM 464 CA SER A 32 -29.474 15.617 -1.064 1.00 8.12 C ATOM 465 C SER A 32 -29.001 17.063 -1.084 1.00 8.57 C ATOM 466 O SER A 32 -29.384 17.853 -1.944 1.00 9.15 O ATOM 467 CB SER A 32 -29.902 15.224 0.358 1.00 8.65 C ATOM 468 OG SER A 32 -31.074 15.903 0.762 1.00 9.33 O ATOM 0 H SER A 32 -28.675 14.209 -2.377 1.00 7.60 H new ATOM 0 HA SER A 32 -30.321 15.540 -1.745 1.00 8.12 H new ATOM 0 HB2 SER A 32 -30.072 14.148 0.402 1.00 8.65 H new ATOM 0 HB3 SER A 32 -29.094 15.447 1.055 1.00 8.65 H new ATOM 0 HG SER A 32 -31.316 15.626 1.670 1.00 9.33 H new ATOM 474 N ASP A 33 -28.129 17.361 -0.146 1.00 8.53 N ATOM 475 CA ASP A 33 -27.663 18.694 0.122 1.00 9.12 C ATOM 476 C ASP A 33 -26.572 18.621 1.186 1.00 9.48 C ATOM 477 O ASP A 33 -25.687 19.473 1.250 1.00 10.03 O ATOM 478 CB ASP A 33 -28.835 19.548 0.598 1.00 9.83 C ATOM 479 CG ASP A 33 -28.398 20.872 1.188 1.00 10.39 C ATOM 480 OD1 ASP A 33 -27.895 21.726 0.430 1.00 10.73 O ATOM 481 OD2 ASP A 33 -28.565 21.072 2.408 1.00 10.68 O ATOM 0 H ASP A 33 -27.715 16.658 0.467 1.00 8.53 H new ATOM 0 HA ASP A 33 -27.250 19.149 -0.778 1.00 9.12 H new ATOM 0 HB2 ASP A 33 -29.507 19.734 -0.240 1.00 9.83 H new ATOM 0 HB3 ASP A 33 -29.403 18.993 1.345 1.00 9.83 H new ATOM 486 N PHE A 34 -26.631 17.554 1.994 1.00 9.37 N ATOM 487 CA PHE A 34 -25.651 17.314 3.050 1.00 9.94 C ATOM 488 C PHE A 34 -24.242 17.257 2.470 1.00 9.93 C ATOM 489 O PHE A 34 -23.271 17.679 3.102 1.00 10.33 O ATOM 490 CB PHE A 34 -25.999 16.021 3.819 1.00 9.89 C ATOM 491 CG PHE A 34 -25.616 14.719 3.170 1.00 10.10 C ATOM 492 CD1 PHE A 34 -24.302 14.306 3.205 1.00 10.53 C ATOM 493 CD2 PHE A 34 -26.546 13.924 2.514 1.00 10.09 C ATOM 494 CE1 PHE A 34 -23.918 13.127 2.613 1.00 10.95 C ATOM 495 CE2 PHE A 34 -26.163 12.736 1.918 1.00 10.50 C ATOM 496 CZ PHE A 34 -24.978 12.299 1.976 1.00 10.92 C ATOM 0 H PHE A 34 -27.356 16.840 1.931 1.00 9.37 H new ATOM 0 HA PHE A 34 -25.683 18.143 3.757 1.00 9.94 H new ATOM 0 HB2 PHE A 34 -25.518 16.067 4.796 1.00 9.89 H new ATOM 0 HB3 PHE A 34 -27.075 16.009 3.994 1.00 9.89 H new ATOM 0 HD1 PHE A 34 -23.564 14.917 3.704 1.00 10.53 H new ATOM 0 HD2 PHE A 34 -27.579 14.236 2.469 1.00 10.09 H new ATOM 0 HE1 PHE A 34 -22.885 12.813 2.610 1.00 10.95 H new ATOM 0 HE2 PHE A 34 -26.904 12.160 1.383 1.00 10.50 H new ATOM 0 HZ PHE A 34 -24.736 11.330 1.565 1.00 10.92 H new ATOM 506 N SER A 35 -24.147 16.733 1.261 1.00 9.65 N ATOM 507 CA SER A 35 -22.913 16.748 0.502 1.00 9.74 C ATOM 508 C SER A 35 -23.228 16.772 -0.983 1.00 9.44 C ATOM 509 O SER A 35 -22.933 15.826 -1.713 1.00 9.50 O ATOM 510 CB SER A 35 -22.027 15.547 0.844 1.00 10.04 C ATOM 511 OG SER A 35 -21.563 15.617 2.185 1.00 10.16 O ATOM 0 H SER A 35 -24.926 16.285 0.778 1.00 9.65 H new ATOM 0 HA SER A 35 -22.358 17.647 0.769 1.00 9.74 H new ATOM 0 HB2 SER A 35 -22.588 14.624 0.698 1.00 10.04 H new ATOM 0 HB3 SER A 35 -21.176 15.513 0.163 1.00 10.04 H new ATOM 0 HG SER A 35 -21.994 16.370 2.641 1.00 10.16 H new ATOM 517 N ASN A 36 -23.876 17.846 -1.420 1.00 9.30 N ATOM 518 CA ASN A 36 -24.179 18.016 -2.835 1.00 9.24 C ATOM 519 C ASN A 36 -22.904 18.351 -3.606 1.00 8.77 C ATOM 520 O ASN A 36 -22.604 19.516 -3.864 1.00 8.94 O ATOM 521 CB ASN A 36 -25.235 19.107 -3.050 1.00 9.46 C ATOM 522 CG ASN A 36 -25.577 19.305 -4.515 1.00 10.11 C ATOM 523 OD1 ASN A 36 -25.506 18.373 -5.318 1.00 10.51 O ATOM 524 ND2 ASN A 36 -25.961 20.518 -4.881 1.00 10.41 N ATOM 0 H ASN A 36 -24.199 18.605 -0.821 1.00 9.30 H new ATOM 0 HA ASN A 36 -24.587 17.078 -3.211 1.00 9.24 H new ATOM 0 HB2 ASN A 36 -26.140 18.845 -2.501 1.00 9.46 H new ATOM 0 HB3 ASN A 36 -24.871 20.047 -2.635 1.00 9.46 H new ATOM 0 HD21 ASN A 36 -26.209 20.703 -5.853 1.00 10.41 H new ATOM 0 HD22 ASN A 36 -26.009 21.268 -4.191 1.00 10.41 H new ATOM 531 N ASN A 37 -22.136 17.319 -3.918 1.00 8.43 N ATOM 532 CA ASN A 37 -20.909 17.473 -4.681 1.00 8.29 C ATOM 533 C ASN A 37 -21.105 16.912 -6.087 1.00 7.88 C ATOM 534 O ASN A 37 -20.283 17.122 -6.976 1.00 7.92 O ATOM 535 CB ASN A 37 -19.756 16.761 -3.962 1.00 8.59 C ATOM 536 CG ASN A 37 -18.420 16.928 -4.663 1.00 9.45 C ATOM 537 OD1 ASN A 37 -18.037 16.095 -5.486 1.00 9.82 O ATOM 538 ND2 ASN A 37 -17.695 17.989 -4.339 1.00 10.00 N ATOM 0 H ASN A 37 -22.344 16.357 -3.651 1.00 8.43 H new ATOM 0 HA ASN A 37 -20.659 18.531 -4.763 1.00 8.29 H new ATOM 0 HB2 ASN A 37 -19.677 17.147 -2.946 1.00 8.59 H new ATOM 0 HB3 ASN A 37 -19.987 15.699 -3.882 1.00 8.59 H new ATOM 0 HD21 ASN A 37 -16.785 18.138 -4.776 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -18.047 18.657 -3.653 1.00 10.00 H new ATOM 545 N MET A 38 -22.222 16.197 -6.269 1.00 7.75 N ATOM 546 CA MET A 38 -22.601 15.616 -7.564 1.00 7.70 C ATOM 547 C MET A 38 -21.635 14.509 -7.991 1.00 7.11 C ATOM 548 O MET A 38 -21.679 14.034 -9.125 1.00 7.09 O ATOM 549 CB MET A 38 -22.689 16.699 -8.650 1.00 8.48 C ATOM 550 CG MET A 38 -23.757 17.749 -8.372 1.00 9.45 C ATOM 551 SD MET A 38 -23.806 19.061 -9.604 1.00 10.41 S ATOM 552 CE MET A 38 -24.231 18.121 -11.072 1.00 10.82 C ATOM 0 H MET A 38 -22.889 16.005 -5.522 1.00 7.75 H new ATOM 0 HA MET A 38 -23.587 15.169 -7.440 1.00 7.70 H new ATOM 0 HB2 MET A 38 -21.721 17.191 -8.741 1.00 8.48 H new ATOM 0 HB3 MET A 38 -22.897 16.225 -9.609 1.00 8.48 H new ATOM 0 HG2 MET A 38 -24.732 17.263 -8.330 1.00 9.45 H new ATOM 0 HG3 MET A 38 -23.578 18.188 -7.391 1.00 9.45 H new ATOM 0 HE1 MET A 38 -24.609 18.796 -11.840 1.00 10.82 H new ATOM 0 HE2 MET A 38 -23.345 17.608 -11.445 1.00 10.82 H new ATOM 0 HE3 MET A 38 -24.998 17.387 -10.825 1.00 10.82 H new ATOM 562 N GLY A 39 -20.774 14.089 -7.069 1.00 6.94 N ATOM 563 CA GLY A 39 -19.847 13.011 -7.351 1.00 6.72 C ATOM 564 C GLY A 39 -18.694 13.452 -8.229 1.00 6.82 C ATOM 565 O GLY A 39 -18.321 12.758 -9.175 1.00 7.22 O ATOM 0 H GLY A 39 -20.703 14.478 -6.129 1.00 6.94 H new ATOM 0 HA2 GLY A 39 -19.455 12.618 -6.413 1.00 6.72 H new ATOM 0 HA3 GLY A 39 -20.381 12.196 -7.840 1.00 6.72 H new ATOM 569 N SER A 40 -18.130 14.611 -7.925 1.00 6.70 N ATOM 570 CA SER A 40 -16.989 15.126 -8.668 1.00 7.03 C ATOM 571 C SER A 40 -15.694 14.913 -7.898 1.00 6.75 C ATOM 572 O SER A 40 -14.701 15.611 -8.117 1.00 7.15 O ATOM 573 CB SER A 40 -17.170 16.603 -8.953 1.00 7.71 C ATOM 574 OG SER A 40 -18.232 16.830 -9.865 1.00 7.71 O ATOM 0 H SER A 40 -18.445 15.215 -7.166 1.00 6.70 H new ATOM 0 HA SER A 40 -16.930 14.579 -9.609 1.00 7.03 H new ATOM 0 HB2 SER A 40 -17.370 17.133 -8.021 1.00 7.71 H new ATOM 0 HB3 SER A 40 -16.245 17.012 -9.360 1.00 7.71 H new ATOM 0 HG SER A 40 -18.324 17.792 -10.027 1.00 7.71 H new ATOM 580 N ARG A 41 -15.727 13.932 -7.018 1.00 6.32 N ATOM 581 CA ARG A 41 -14.588 13.543 -6.203 1.00 6.15 C ATOM 582 C ARG A 41 -13.313 13.398 -7.027 1.00 6.66 C ATOM 583 O ARG A 41 -13.300 12.743 -8.074 1.00 6.86 O ATOM 584 CB ARG A 41 -14.920 12.221 -5.541 1.00 5.64 C ATOM 585 CG ARG A 41 -15.882 12.345 -4.372 1.00 5.83 C ATOM 586 CD ARG A 41 -16.304 10.978 -3.863 1.00 6.30 C ATOM 587 NE ARG A 41 -17.063 11.059 -2.620 1.00 6.60 N ATOM 588 CZ ARG A 41 -18.052 10.227 -2.299 1.00 7.29 C ATOM 589 NH1 ARG A 41 -18.469 9.313 -3.168 1.00 7.72 N ATOM 590 NH2 ARG A 41 -18.634 10.312 -1.113 1.00 7.82 N ATOM 0 H ARG A 41 -16.561 13.371 -6.844 1.00 6.32 H new ATOM 0 HA ARG A 41 -14.403 14.322 -5.464 1.00 6.15 H new ATOM 0 HB2 ARG A 41 -15.351 11.551 -6.285 1.00 5.64 H new ATOM 0 HB3 ARG A 41 -13.997 11.758 -5.192 1.00 5.64 H new ATOM 0 HG2 ARG A 41 -15.409 12.906 -3.566 1.00 5.83 H new ATOM 0 HG3 ARG A 41 -16.762 12.909 -4.680 1.00 5.83 H new ATOM 0 HD2 ARG A 41 -16.907 10.481 -4.622 1.00 6.30 H new ATOM 0 HD3 ARG A 41 -15.418 10.362 -3.706 1.00 6.30 H new ATOM 0 HE ARG A 41 -16.822 11.796 -1.958 1.00 6.60 H new ATOM 0 HH11 ARG A 41 -18.031 9.246 -4.087 1.00 7.72 H new ATOM 0 HH12 ARG A 41 -19.227 8.678 -2.916 1.00 7.72 H new ATOM 0 HH21 ARG A 41 -18.325 11.016 -0.443 1.00 7.82 H new ATOM 0 HH22 ARG A 41 -19.391 9.674 -0.870 1.00 7.82 H new ATOM 604 N LYS A 42 -12.239 13.998 -6.541 1.00 7.18 N ATOM 605 CA LYS A 42 -10.966 13.962 -7.241 1.00 7.95 C ATOM 606 C LYS A 42 -10.147 12.766 -6.777 1.00 7.64 C ATOM 607 O LYS A 42 -9.277 12.901 -5.915 1.00 7.95 O ATOM 608 CB LYS A 42 -10.170 15.250 -7.014 1.00 8.85 C ATOM 609 CG LYS A 42 -10.772 16.487 -7.670 1.00 9.40 C ATOM 610 CD LYS A 42 -11.989 17.003 -6.915 1.00 8.95 C ATOM 611 CE LYS A 42 -12.599 18.221 -7.593 1.00 9.61 C ATOM 612 NZ LYS A 42 -11.632 19.344 -7.698 1.00 9.98 N ATOM 0 H LYS A 42 -12.224 14.517 -5.663 1.00 7.18 H new ATOM 0 HA LYS A 42 -11.174 13.871 -8.307 1.00 7.95 H new ATOM 0 HB2 LYS A 42 -10.087 15.427 -5.942 1.00 8.85 H new ATOM 0 HB3 LYS A 42 -9.158 15.109 -7.393 1.00 8.85 H new ATOM 0 HG2 LYS A 42 -10.018 17.273 -7.721 1.00 9.40 H new ATOM 0 HG3 LYS A 42 -11.056 16.251 -8.696 1.00 9.40 H new ATOM 0 HD2 LYS A 42 -12.736 16.213 -6.846 1.00 8.95 H new ATOM 0 HD3 LYS A 42 -11.702 17.260 -5.895 1.00 8.95 H new ATOM 0 HE2 LYS A 42 -12.944 17.946 -8.590 1.00 9.61 H new ATOM 0 HE3 LYS A 42 -13.474 18.548 -7.031 1.00 9.61 H new ATOM 0 HZ1 LYS A 42 -12.135 20.211 -7.975 1.00 9.98 H new ATOM 0 HZ2 LYS A 42 -11.169 19.491 -6.778 1.00 9.98 H new ATOM 0 HZ3 LYS A 42 -10.913 19.117 -8.415 1.00 9.98 H new ATOM 626 N ASN A 43 -10.461 11.601 -7.341 1.00 7.18 N ATOM 627 CA ASN A 43 -9.833 10.334 -6.961 1.00 6.90 C ATOM 628 C ASN A 43 -9.808 10.169 -5.443 1.00 6.59 C ATOM 629 O ASN A 43 -8.802 10.443 -4.785 1.00 7.32 O ATOM 630 CB ASN A 43 -8.415 10.214 -7.531 1.00 7.86 C ATOM 631 CG ASN A 43 -7.843 8.818 -7.356 1.00 7.89 C ATOM 632 OD1 ASN A 43 -7.164 8.525 -6.376 1.00 7.84 O ATOM 633 ND2 ASN A 43 -8.118 7.942 -8.309 1.00 8.26 N ATOM 0 H ASN A 43 -11.161 11.508 -8.077 1.00 7.18 H new ATOM 0 HA ASN A 43 -10.437 9.534 -7.388 1.00 6.90 H new ATOM 0 HB2 ASN A 43 -8.428 10.469 -8.591 1.00 7.86 H new ATOM 0 HB3 ASN A 43 -7.764 10.936 -7.037 1.00 7.86 H new ATOM 0 HD21 ASN A 43 -7.762 6.988 -8.243 1.00 8.26 H new ATOM 0 HD22 ASN A 43 -8.686 8.221 -9.109 1.00 8.26 H new ATOM 640 N PRO A 44 -10.930 9.744 -4.860 1.00 5.79 N ATOM 641 CA PRO A 44 -11.061 9.639 -3.413 1.00 5.83 C ATOM 642 C PRO A 44 -10.512 8.327 -2.867 1.00 5.83 C ATOM 643 O PRO A 44 -10.352 8.162 -1.656 1.00 6.26 O ATOM 644 CB PRO A 44 -12.567 9.722 -3.221 1.00 5.35 C ATOM 645 CG PRO A 44 -13.125 9.039 -4.425 1.00 4.82 C ATOM 646 CD PRO A 44 -12.172 9.340 -5.554 1.00 5.18 C ATOM 0 HA PRO A 44 -10.497 10.406 -2.882 1.00 5.83 H new ATOM 0 HB2 PRO A 44 -12.880 9.227 -2.301 1.00 5.35 H new ATOM 0 HB3 PRO A 44 -12.904 10.756 -3.157 1.00 5.35 H new ATOM 0 HG2 PRO A 44 -13.208 7.965 -4.261 1.00 4.82 H new ATOM 0 HG3 PRO A 44 -14.126 9.405 -4.652 1.00 4.82 H new ATOM 0 HD2 PRO A 44 -12.012 8.467 -6.187 1.00 5.18 H new ATOM 0 HD3 PRO A 44 -12.550 10.135 -6.197 1.00 5.18 H new ATOM 654 N ASP A 45 -10.225 7.404 -3.763 1.00 5.59 N ATOM 655 CA ASP A 45 -9.726 6.089 -3.391 1.00 5.67 C ATOM 656 C ASP A 45 -9.075 5.414 -4.593 1.00 5.46 C ATOM 657 O ASP A 45 -9.414 5.708 -5.743 1.00 5.44 O ATOM 658 CB ASP A 45 -10.859 5.210 -2.835 1.00 6.26 C ATOM 659 CG ASP A 45 -12.009 5.043 -3.807 1.00 6.73 C ATOM 660 OD1 ASP A 45 -11.928 4.158 -4.683 1.00 7.06 O ATOM 661 OD2 ASP A 45 -13.001 5.795 -3.685 1.00 6.98 O ATOM 0 H ASP A 45 -10.330 7.541 -4.768 1.00 5.59 H new ATOM 0 HA ASP A 45 -8.978 6.216 -2.608 1.00 5.67 H new ATOM 0 HB2 ASP A 45 -10.459 4.228 -2.582 1.00 6.26 H new ATOM 0 HB3 ASP A 45 -11.233 5.650 -1.910 1.00 6.26 H new ATOM 666 N PRO A 46 -8.120 4.502 -4.343 1.00 5.77 N ATOM 667 CA PRO A 46 -7.388 3.797 -5.407 1.00 6.07 C ATOM 668 C PRO A 46 -8.266 2.803 -6.169 1.00 6.28 C ATOM 669 O PRO A 46 -7.874 2.290 -7.224 1.00 6.83 O ATOM 670 CB PRO A 46 -6.275 3.050 -4.656 1.00 6.80 C ATOM 671 CG PRO A 46 -6.260 3.624 -3.274 1.00 6.93 C ATOM 672 CD PRO A 46 -7.652 4.104 -3.006 1.00 6.33 C ATOM 0 HA PRO A 46 -7.021 4.492 -6.162 1.00 6.07 H new ATOM 0 HB2 PRO A 46 -6.471 1.978 -4.632 1.00 6.80 H new ATOM 0 HB3 PRO A 46 -5.312 3.187 -5.147 1.00 6.80 H new ATOM 0 HG2 PRO A 46 -5.960 2.873 -2.544 1.00 6.93 H new ATOM 0 HG3 PRO A 46 -5.545 4.443 -3.201 1.00 6.93 H new ATOM 0 HD2 PRO A 46 -8.275 3.320 -2.576 1.00 6.33 H new ATOM 0 HD3 PRO A 46 -7.664 4.940 -2.307 1.00 6.33 H new ATOM 680 N LEU A 47 -9.456 2.543 -5.643 1.00 6.19 N ATOM 681 CA LEU A 47 -10.366 1.595 -6.268 1.00 6.74 C ATOM 682 C LEU A 47 -11.110 2.270 -7.407 1.00 6.79 C ATOM 683 O LEU A 47 -11.579 1.609 -8.334 1.00 7.54 O ATOM 684 CB LEU A 47 -11.361 1.012 -5.260 1.00 7.04 C ATOM 685 CG LEU A 47 -10.753 0.153 -4.139 1.00 7.00 C ATOM 686 CD1 LEU A 47 -10.180 1.014 -3.023 1.00 6.92 C ATOM 687 CD2 LEU A 47 -11.791 -0.814 -3.589 1.00 7.53 C ATOM 0 H LEU A 47 -9.811 2.973 -4.789 1.00 6.19 H new ATOM 0 HA LEU A 47 -9.772 0.769 -6.658 1.00 6.74 H new ATOM 0 HB2 LEU A 47 -11.911 1.835 -4.803 1.00 7.04 H new ATOM 0 HB3 LEU A 47 -12.086 0.406 -5.803 1.00 7.04 H new ATOM 0 HG LEU A 47 -9.931 -0.420 -4.568 1.00 7.00 H new ATOM 0 HD11 LEU A 47 -9.759 0.373 -2.248 1.00 6.92 H new ATOM 0 HD12 LEU A 47 -9.398 1.658 -3.425 1.00 6.92 H new ATOM 0 HD13 LEU A 47 -10.972 1.629 -2.595 1.00 6.92 H new ATOM 0 HD21 LEU A 47 -11.345 -1.415 -2.796 1.00 7.53 H new ATOM 0 HD22 LEU A 47 -12.635 -0.253 -3.188 1.00 7.53 H new ATOM 0 HD23 LEU A 47 -12.138 -1.468 -4.388 1.00 7.53 H new ATOM 699 N ALA A 48 -11.204 3.590 -7.330 1.00 6.28 N ATOM 700 CA ALA A 48 -11.766 4.386 -8.409 1.00 6.64 C ATOM 701 C ALA A 48 -10.801 4.422 -9.595 1.00 6.21 C ATOM 702 O ALA A 48 -11.177 4.801 -10.705 1.00 6.37 O ATOM 703 CB ALA A 48 -12.074 5.796 -7.923 1.00 7.26 C ATOM 0 H ALA A 48 -10.895 4.134 -6.525 1.00 6.28 H new ATOM 0 HA ALA A 48 -12.699 3.926 -8.736 1.00 6.64 H new ATOM 0 HB1 ALA A 48 -12.494 6.380 -8.742 1.00 7.26 H new ATOM 0 HB2 ALA A 48 -12.792 5.750 -7.105 1.00 7.26 H new ATOM 0 HB3 ALA A 48 -11.156 6.269 -7.574 1.00 7.26 H new ATOM 709 N THR A 49 -9.557 4.020 -9.353 1.00 5.97 N ATOM 710 CA THR A 49 -8.563 3.943 -10.406 1.00 5.78 C ATOM 711 C THR A 49 -8.650 2.568 -11.065 1.00 5.51 C ATOM 712 O THR A 49 -8.734 2.455 -12.289 1.00 5.78 O ATOM 713 CB THR A 49 -7.140 4.168 -9.847 1.00 5.98 C ATOM 714 OG1 THR A 49 -7.114 5.353 -9.040 1.00 6.42 O ATOM 715 CG2 THR A 49 -6.127 4.302 -10.972 1.00 6.50 C ATOM 0 H THR A 49 -9.217 3.743 -8.432 1.00 5.97 H new ATOM 0 HA THR A 49 -8.762 4.726 -11.138 1.00 5.78 H new ATOM 0 HB THR A 49 -6.874 3.302 -9.240 1.00 5.98 H new ATOM 0 HG1 THR A 49 -6.210 5.489 -8.688 1.00 6.42 H new ATOM 0 HG21 THR A 49 -5.134 4.460 -10.551 1.00 6.50 H new ATOM 0 HG22 THR A 49 -6.127 3.392 -11.572 1.00 6.50 H new ATOM 0 HG23 THR A 49 -6.393 5.151 -11.602 1.00 6.50 H new ATOM 723 N GLU A 50 -8.632 1.529 -10.222 1.00 5.40 N ATOM 724 CA GLU A 50 -8.817 0.134 -10.642 1.00 5.68 C ATOM 725 C GLU A 50 -7.652 -0.393 -11.493 1.00 5.52 C ATOM 726 O GLU A 50 -7.484 -1.604 -11.636 1.00 5.73 O ATOM 727 CB GLU A 50 -10.150 -0.030 -11.375 1.00 6.30 C ATOM 728 CG GLU A 50 -10.672 -1.457 -11.361 1.00 7.02 C ATOM 729 CD GLU A 50 -12.105 -1.560 -11.844 1.00 8.02 C ATOM 730 OE1 GLU A 50 -13.018 -1.222 -11.074 1.00 8.40 O ATOM 731 OE2 GLU A 50 -12.315 -1.964 -13.011 1.00 8.59 O ATOM 0 H GLU A 50 -8.487 1.634 -9.218 1.00 5.40 H new ATOM 0 HA GLU A 50 -8.833 -0.472 -9.736 1.00 5.68 H new ATOM 0 HB2 GLU A 50 -10.891 0.625 -10.917 1.00 6.30 H new ATOM 0 HB3 GLU A 50 -10.031 0.296 -12.408 1.00 6.30 H new ATOM 0 HG2 GLU A 50 -10.035 -2.079 -11.990 1.00 7.02 H new ATOM 0 HG3 GLU A 50 -10.605 -1.854 -10.348 1.00 7.02 H new ATOM 738 N GLU A 51 -6.866 0.510 -12.073 1.00 5.43 N ATOM 739 CA GLU A 51 -5.638 0.130 -12.759 1.00 5.45 C ATOM 740 C GLU A 51 -4.687 -0.548 -11.797 1.00 5.48 C ATOM 741 O GLU A 51 -4.332 -1.712 -11.984 1.00 5.85 O ATOM 742 CB GLU A 51 -4.934 1.350 -13.344 1.00 5.47 C ATOM 743 CG GLU A 51 -5.534 1.855 -14.641 1.00 6.03 C ATOM 744 CD GLU A 51 -5.558 0.798 -15.726 1.00 6.79 C ATOM 745 OE1 GLU A 51 -4.546 0.087 -15.898 1.00 6.93 O ATOM 746 OE2 GLU A 51 -6.593 0.675 -16.413 1.00 7.46 O ATOM 0 H GLU A 51 -7.060 1.511 -12.081 1.00 5.43 H new ATOM 0 HA GLU A 51 -5.913 -0.552 -13.564 1.00 5.45 H new ATOM 0 HB2 GLU A 51 -4.957 2.155 -12.609 1.00 5.47 H new ATOM 0 HB3 GLU A 51 -3.886 1.103 -13.514 1.00 5.47 H new ATOM 0 HG2 GLU A 51 -6.550 2.202 -14.455 1.00 6.03 H new ATOM 0 HG3 GLU A 51 -4.962 2.715 -14.990 1.00 6.03 H new ATOM 753 N VAL A 52 -4.299 0.213 -10.765 1.00 5.42 N ATOM 754 CA VAL A 52 -3.319 -0.212 -9.762 1.00 5.86 C ATOM 755 C VAL A 52 -2.220 -1.092 -10.379 1.00 6.11 C ATOM 756 O VAL A 52 -2.243 -2.319 -10.285 1.00 6.55 O ATOM 757 CB VAL A 52 -3.996 -0.884 -8.532 1.00 6.43 C ATOM 758 CG1 VAL A 52 -4.826 -2.105 -8.914 1.00 6.99 C ATOM 759 CG2 VAL A 52 -2.969 -1.243 -7.469 1.00 6.80 C ATOM 0 H VAL A 52 -4.663 1.152 -10.603 1.00 5.42 H new ATOM 0 HA VAL A 52 -2.829 0.688 -9.390 1.00 5.86 H new ATOM 0 HB VAL A 52 -4.684 -0.148 -8.116 1.00 6.43 H new ATOM 0 HG11 VAL A 52 -5.275 -2.534 -8.018 1.00 6.99 H new ATOM 0 HG12 VAL A 52 -5.612 -1.808 -9.608 1.00 6.99 H new ATOM 0 HG13 VAL A 52 -4.184 -2.847 -9.389 1.00 6.99 H new ATOM 0 HG21 VAL A 52 -3.471 -1.711 -6.622 1.00 6.80 H new ATOM 0 HG22 VAL A 52 -2.240 -1.937 -7.887 1.00 6.80 H new ATOM 0 HG23 VAL A 52 -2.460 -0.339 -7.135 1.00 6.80 H new ATOM 769 N PRO A 53 -1.252 -0.441 -11.054 1.00 6.09 N ATOM 770 CA PRO A 53 -0.170 -1.127 -11.777 1.00 6.51 C ATOM 771 C PRO A 53 0.756 -1.915 -10.860 1.00 6.99 C ATOM 772 O PRO A 53 1.576 -2.711 -11.318 1.00 7.85 O ATOM 773 CB PRO A 53 0.597 0.017 -12.444 1.00 6.60 C ATOM 774 CG PRO A 53 0.259 1.226 -11.648 1.00 6.37 C ATOM 775 CD PRO A 53 -1.149 1.023 -11.183 1.00 6.00 C ATOM 0 HA PRO A 53 -0.566 -1.865 -12.474 1.00 6.51 H new ATOM 0 HB2 PRO A 53 1.671 -0.172 -12.438 1.00 6.60 H new ATOM 0 HB3 PRO A 53 0.300 0.136 -13.486 1.00 6.60 H new ATOM 0 HG2 PRO A 53 0.938 1.341 -10.803 1.00 6.37 H new ATOM 0 HG3 PRO A 53 0.346 2.129 -12.252 1.00 6.37 H new ATOM 0 HD2 PRO A 53 -1.336 1.525 -10.234 1.00 6.00 H new ATOM 0 HD3 PRO A 53 -1.870 1.416 -11.899 1.00 6.00 H new ATOM 783 N ASN A 54 0.618 -1.685 -9.568 1.00 6.65 N ATOM 784 CA ASN A 54 1.427 -2.379 -8.579 1.00 7.32 C ATOM 785 C ASN A 54 0.579 -3.353 -7.785 1.00 7.87 C ATOM 786 O ASN A 54 -0.497 -3.015 -7.301 1.00 8.62 O ATOM 787 CB ASN A 54 2.129 -1.396 -7.639 1.00 7.53 C ATOM 788 CG ASN A 54 3.290 -0.699 -8.319 1.00 7.80 C ATOM 789 OD1 ASN A 54 3.138 0.386 -8.880 1.00 7.76 O ATOM 790 ND2 ASN A 54 4.459 -1.321 -8.278 1.00 8.37 N ATOM 0 H ASN A 54 -0.049 -1.020 -9.176 1.00 6.65 H new ATOM 0 HA ASN A 54 2.195 -2.937 -9.114 1.00 7.32 H new ATOM 0 HB2 ASN A 54 1.413 -0.652 -7.290 1.00 7.53 H new ATOM 0 HB3 ASN A 54 2.490 -1.929 -6.759 1.00 7.53 H new ATOM 0 HD21 ASN A 54 5.276 -0.901 -8.722 1.00 8.37 H new ATOM 0 HD22 ASN A 54 4.542 -2.219 -7.802 1.00 8.37 H new ATOM 797 N GLN A 55 1.085 -4.564 -7.641 1.00 7.71 N ATOM 798 CA GLN A 55 0.340 -5.639 -6.998 1.00 8.46 C ATOM 799 C GLN A 55 0.965 -5.951 -5.645 1.00 8.71 C ATOM 800 O GLN A 55 0.575 -6.893 -4.957 1.00 9.31 O ATOM 801 CB GLN A 55 0.340 -6.888 -7.880 1.00 9.37 C ATOM 802 CG GLN A 55 0.052 -6.594 -9.347 1.00 9.49 C ATOM 803 CD GLN A 55 -1.244 -5.827 -9.562 1.00 9.90 C ATOM 804 OE1 GLN A 55 -2.210 -5.987 -8.817 1.00 10.49 O ATOM 805 NE2 GLN A 55 -1.271 -4.980 -10.580 1.00 9.79 N ATOM 0 H GLN A 55 2.015 -4.832 -7.962 1.00 7.71 H new ATOM 0 HA GLN A 55 -0.692 -5.321 -6.853 1.00 8.46 H new ATOM 0 HB2 GLN A 55 1.309 -7.380 -7.799 1.00 9.37 H new ATOM 0 HB3 GLN A 55 -0.406 -7.589 -7.505 1.00 9.37 H new ATOM 0 HG2 GLN A 55 0.879 -6.021 -9.765 1.00 9.49 H new ATOM 0 HG3 GLN A 55 0.006 -7.534 -9.897 1.00 9.49 H new ATOM 0 HE21 GLN A 55 -0.451 -4.874 -11.177 1.00 9.79 H new ATOM 0 HE22 GLN A 55 -2.112 -4.434 -10.767 1.00 9.79 H new ATOM 814 N GLU A 56 1.934 -5.130 -5.272 1.00 8.44 N ATOM 815 CA GLU A 56 2.659 -5.278 -4.023 1.00 8.86 C ATOM 816 C GLU A 56 1.994 -4.408 -2.962 1.00 8.25 C ATOM 817 O GLU A 56 2.614 -4.054 -1.960 1.00 8.21 O ATOM 818 CB GLU A 56 4.130 -4.838 -4.207 1.00 9.28 C ATOM 819 CG GLU A 56 4.845 -5.463 -5.407 1.00 10.30 C ATOM 820 CD GLU A 56 4.354 -4.922 -6.740 1.00 10.82 C ATOM 821 OE1 GLU A 56 4.467 -3.699 -6.967 1.00 11.15 O ATOM 822 OE2 GLU A 56 3.814 -5.711 -7.542 1.00 11.07 O ATOM 0 H GLU A 56 2.241 -4.336 -5.834 1.00 8.44 H new ATOM 0 HA GLU A 56 2.642 -6.323 -3.713 1.00 8.86 H new ATOM 0 HB2 GLU A 56 4.159 -3.753 -4.310 1.00 9.28 H new ATOM 0 HB3 GLU A 56 4.684 -5.087 -3.302 1.00 9.28 H new ATOM 0 HG2 GLU A 56 5.916 -5.281 -5.320 1.00 10.30 H new ATOM 0 HG3 GLU A 56 4.703 -6.543 -5.385 1.00 10.30 H new ATOM 829 N GLN A 57 0.721 -4.079 -3.210 1.00 8.02 N ATOM 830 CA GLN A 57 -0.041 -3.111 -2.417 1.00 7.71 C ATOM 831 C GLN A 57 0.527 -1.708 -2.594 1.00 6.84 C ATOM 832 O GLN A 57 -0.105 -0.855 -3.215 1.00 6.77 O ATOM 833 CB GLN A 57 -0.078 -3.477 -0.927 1.00 8.64 C ATOM 834 CG GLN A 57 -0.654 -4.856 -0.638 1.00 9.62 C ATOM 835 CD GLN A 57 -0.986 -5.051 0.829 1.00 10.46 C ATOM 836 OE1 GLN A 57 -1.426 -3.987 1.488 1.00 10.72 O flip ATOM 837 NE2 GLN A 57 -0.875 -6.154 1.362 1.00 11.09 N flip ATOM 0 H GLN A 57 0.185 -4.484 -3.978 1.00 8.02 H new ATOM 0 HA GLN A 57 -1.066 -3.136 -2.787 1.00 7.71 H new ATOM 0 HB2 GLN A 57 0.935 -3.427 -0.527 1.00 8.64 H new ATOM 0 HB3 GLN A 57 -0.668 -2.730 -0.395 1.00 8.64 H new ATOM 0 HG2 GLN A 57 -1.555 -5.002 -1.234 1.00 9.62 H new ATOM 0 HG3 GLN A 57 0.061 -5.617 -0.950 1.00 9.62 H new ATOM 0 HE21 GLN A 57 -0.533 -6.949 0.822 1.00 11.09 H new ATOM 0 HE22 GLN A 57 -1.125 -6.274 2.344 1.00 11.09 H new ATOM 846 N ILE A 58 1.732 -1.496 -2.075 1.00 6.43 N ATOM 847 CA ILE A 58 2.392 -0.193 -2.126 1.00 5.79 C ATOM 848 C ILE A 58 1.525 0.879 -1.449 1.00 5.74 C ATOM 849 O ILE A 58 0.780 1.613 -2.098 1.00 5.48 O ATOM 850 CB ILE A 58 2.749 0.207 -3.587 1.00 5.36 C ATOM 851 CG1 ILE A 58 3.789 -0.755 -4.165 1.00 5.76 C ATOM 852 CG2 ILE A 58 3.270 1.642 -3.665 1.00 5.36 C ATOM 853 CD1 ILE A 58 5.066 -0.859 -3.353 1.00 6.29 C ATOM 0 H ILE A 58 2.279 -2.219 -1.608 1.00 6.43 H new ATOM 0 HA ILE A 58 3.329 -0.269 -1.574 1.00 5.79 H new ATOM 0 HB ILE A 58 1.834 0.146 -4.177 1.00 5.36 H new ATOM 0 HG12 ILE A 58 3.343 -1.746 -4.247 1.00 5.76 H new ATOM 0 HG13 ILE A 58 4.041 -0.434 -5.176 1.00 5.76 H new ATOM 0 HG21 ILE A 58 3.509 1.887 -4.700 1.00 5.36 H new ATOM 0 HG22 ILE A 58 2.506 2.327 -3.298 1.00 5.36 H new ATOM 0 HG23 ILE A 58 4.167 1.737 -3.053 1.00 5.36 H new ATOM 0 HD11 ILE A 58 5.747 -1.561 -3.834 1.00 6.29 H new ATOM 0 HD12 ILE A 58 5.539 0.121 -3.292 1.00 6.29 H new ATOM 0 HD13 ILE A 58 4.831 -1.212 -2.349 1.00 6.29 H new ATOM 865 N PRO A 59 1.583 0.942 -0.114 1.00 6.40 N ATOM 866 CA PRO A 59 0.790 1.878 0.670 1.00 6.85 C ATOM 867 C PRO A 59 1.478 3.220 0.897 1.00 6.63 C ATOM 868 O PRO A 59 0.871 4.151 1.423 1.00 7.28 O ATOM 869 CB PRO A 59 0.597 1.144 2.003 1.00 7.95 C ATOM 870 CG PRO A 59 1.527 -0.041 1.983 1.00 8.02 C ATOM 871 CD PRO A 59 2.385 0.081 0.751 1.00 7.12 C ATOM 0 HA PRO A 59 -0.138 2.135 0.159 1.00 6.85 H new ATOM 0 HB2 PRO A 59 0.825 1.801 2.843 1.00 7.95 H new ATOM 0 HB3 PRO A 59 -0.438 0.822 2.121 1.00 7.95 H new ATOM 0 HG2 PRO A 59 2.145 -0.059 2.881 1.00 8.02 H new ATOM 0 HG3 PRO A 59 0.961 -0.973 1.966 1.00 8.02 H new ATOM 0 HD2 PRO A 59 3.355 0.524 0.976 1.00 7.12 H new ATOM 0 HD3 PRO A 59 2.576 -0.889 0.292 1.00 7.12 H new ATOM 879 N GLU A 60 2.737 3.331 0.505 1.00 5.93 N ATOM 880 CA GLU A 60 3.455 4.580 0.708 1.00 5.88 C ATOM 881 C GLU A 60 4.215 5.019 -0.525 1.00 5.80 C ATOM 882 O GLU A 60 5.243 4.447 -0.892 1.00 5.92 O ATOM 883 CB GLU A 60 4.391 4.519 1.920 1.00 5.78 C ATOM 884 CG GLU A 60 5.187 3.230 2.052 1.00 5.71 C ATOM 885 CD GLU A 60 5.921 3.152 3.378 1.00 6.20 C ATOM 886 OE1 GLU A 60 6.949 3.842 3.537 1.00 6.44 O ATOM 887 OE2 GLU A 60 5.453 2.424 4.275 1.00 6.61 O ATOM 0 H GLU A 60 3.274 2.590 0.054 1.00 5.93 H new ATOM 0 HA GLU A 60 2.691 5.331 0.910 1.00 5.88 H new ATOM 0 HB2 GLU A 60 5.088 5.355 1.864 1.00 5.78 H new ATOM 0 HB3 GLU A 60 3.799 4.657 2.825 1.00 5.78 H new ATOM 0 HG2 GLU A 60 4.515 2.377 1.958 1.00 5.71 H new ATOM 0 HG3 GLU A 60 5.905 3.161 1.235 1.00 5.71 H new ATOM 894 N GLU A 61 3.677 6.027 -1.181 1.00 5.98 N ATOM 895 CA GLU A 61 4.394 6.718 -2.235 1.00 6.40 C ATOM 896 C GLU A 61 5.298 7.782 -1.612 1.00 6.67 C ATOM 897 O GLU A 61 4.827 8.723 -0.980 1.00 7.45 O ATOM 898 CB GLU A 61 3.415 7.348 -3.241 1.00 6.95 C ATOM 899 CG GLU A 61 2.469 8.365 -2.623 1.00 7.52 C ATOM 900 CD GLU A 61 1.460 8.913 -3.604 1.00 8.17 C ATOM 901 OE1 GLU A 61 1.841 9.769 -4.427 1.00 8.72 O ATOM 902 OE2 GLU A 61 0.288 8.484 -3.566 1.00 8.32 O ATOM 0 H GLU A 61 2.740 6.388 -1.002 1.00 5.98 H new ATOM 0 HA GLU A 61 5.008 6.002 -2.782 1.00 6.40 H new ATOM 0 HB2 GLU A 61 3.985 7.831 -4.034 1.00 6.95 H new ATOM 0 HB3 GLU A 61 2.828 6.556 -3.707 1.00 6.95 H new ATOM 0 HG2 GLU A 61 1.941 7.901 -1.790 1.00 7.52 H new ATOM 0 HG3 GLU A 61 3.051 9.190 -2.212 1.00 7.52 H new ATOM 909 N GLY A 62 6.596 7.602 -1.737 1.00 6.22 N ATOM 910 CA GLY A 62 7.524 8.597 -1.272 1.00 6.69 C ATOM 911 C GLY A 62 8.481 8.960 -2.367 1.00 6.92 C ATOM 912 O GLY A 62 8.877 10.121 -2.505 1.00 7.40 O ATOM 0 H GLY A 62 7.026 6.777 -2.156 1.00 6.22 H new ATOM 0 HA2 GLY A 62 6.983 9.484 -0.942 1.00 6.69 H new ATOM 0 HA3 GLY A 62 8.073 8.219 -0.409 1.00 6.69 H new ATOM 916 N PHE A 63 8.834 7.943 -3.160 1.00 6.81 N ATOM 917 CA PHE A 63 9.739 8.113 -4.285 1.00 7.27 C ATOM 918 C PHE A 63 11.030 8.699 -3.775 1.00 6.90 C ATOM 919 O PHE A 63 11.657 9.540 -4.423 1.00 7.34 O ATOM 920 CB PHE A 63 9.117 9.013 -5.363 1.00 8.02 C ATOM 921 CG PHE A 63 7.937 8.391 -6.052 1.00 7.85 C ATOM 922 CD1 PHE A 63 6.698 8.336 -5.428 1.00 8.09 C ATOM 923 CD2 PHE A 63 8.065 7.847 -7.319 1.00 7.70 C ATOM 924 CE1 PHE A 63 5.615 7.751 -6.056 1.00 8.21 C ATOM 925 CE2 PHE A 63 6.984 7.260 -7.953 1.00 7.74 C ATOM 926 CZ PHE A 63 5.757 7.212 -7.319 1.00 8.00 C ATOM 0 H PHE A 63 8.499 6.988 -3.036 1.00 6.81 H new ATOM 0 HA PHE A 63 9.931 7.145 -4.748 1.00 7.27 H new ATOM 0 HB2 PHE A 63 8.808 9.953 -4.906 1.00 8.02 H new ATOM 0 HB3 PHE A 63 9.877 9.255 -6.107 1.00 8.02 H new ATOM 0 HD1 PHE A 63 6.579 8.755 -4.440 1.00 8.09 H new ATOM 0 HD2 PHE A 63 9.022 7.881 -7.819 1.00 7.70 H new ATOM 0 HE1 PHE A 63 4.657 7.715 -5.559 1.00 8.21 H new ATOM 0 HE2 PHE A 63 7.099 6.840 -8.941 1.00 7.74 H new ATOM 0 HZ PHE A 63 4.911 6.754 -7.810 1.00 8.00 H new ATOM 936 N ILE A 64 11.411 8.232 -2.595 1.00 6.31 N ATOM 937 CA ILE A 64 12.530 8.778 -1.875 1.00 6.14 C ATOM 938 C ILE A 64 13.828 8.635 -2.662 1.00 6.65 C ATOM 939 O ILE A 64 14.398 7.547 -2.765 1.00 6.98 O ATOM 940 CB ILE A 64 12.687 8.126 -0.488 1.00 5.61 C ATOM 941 CG1 ILE A 64 12.590 6.597 -0.582 1.00 5.10 C ATOM 942 CG2 ILE A 64 11.650 8.681 0.473 1.00 5.86 C ATOM 943 CD1 ILE A 64 12.839 5.889 0.733 1.00 5.02 C ATOM 0 H ILE A 64 10.945 7.461 -2.117 1.00 6.31 H new ATOM 0 HA ILE A 64 12.323 9.839 -1.737 1.00 6.14 H new ATOM 0 HB ILE A 64 13.678 8.368 -0.104 1.00 5.61 H new ATOM 0 HG12 ILE A 64 11.600 6.327 -0.948 1.00 5.10 H new ATOM 0 HG13 ILE A 64 13.310 6.241 -1.318 1.00 5.10 H new ATOM 0 HG21 ILE A 64 11.771 8.212 1.450 1.00 5.86 H new ATOM 0 HG22 ILE A 64 11.782 9.759 0.569 1.00 5.86 H new ATOM 0 HG23 ILE A 64 10.651 8.471 0.091 1.00 5.86 H new ATOM 0 HD11 ILE A 64 12.754 4.812 0.588 1.00 5.02 H new ATOM 0 HD12 ILE A 64 13.840 6.129 1.091 1.00 5.02 H new ATOM 0 HD13 ILE A 64 12.103 6.216 1.467 1.00 5.02 H new ATOM 955 N HIS A 65 14.299 9.742 -3.213 1.00 6.99 N ATOM 956 CA HIS A 65 15.513 9.739 -4.022 1.00 7.71 C ATOM 957 C HIS A 65 16.739 9.851 -3.120 1.00 7.41 C ATOM 958 O HIS A 65 17.758 10.429 -3.495 1.00 7.99 O ATOM 959 CB HIS A 65 15.471 10.900 -5.022 1.00 8.57 C ATOM 960 CG HIS A 65 16.347 10.707 -6.217 1.00 9.17 C ATOM 961 ND1 HIS A 65 17.522 11.395 -6.424 1.00 9.64 N ATOM 962 CD2 HIS A 65 16.182 9.916 -7.298 1.00 9.60 C ATOM 963 CE1 HIS A 65 18.042 11.032 -7.581 1.00 10.31 C ATOM 964 NE2 HIS A 65 17.250 10.132 -8.130 1.00 10.28 N ATOM 0 H HIS A 65 13.860 10.657 -3.116 1.00 6.99 H new ATOM 0 HA HIS A 65 15.576 8.803 -4.576 1.00 7.71 H new ATOM 0 HB2 HIS A 65 14.443 11.040 -5.357 1.00 8.57 H new ATOM 0 HB3 HIS A 65 15.768 11.816 -4.511 1.00 8.57 H new ATOM 0 HD2 HIS A 65 15.360 9.238 -7.475 1.00 9.60 H new ATOM 0 HE1 HIS A 65 18.961 11.408 -8.006 1.00 10.31 H new ATOM 0 HE2 HIS A 65 17.406 9.672 -9.027 1.00 10.28 H new ATOM 973 N THR A 66 16.643 9.257 -1.942 1.00 6.67 N ATOM 974 CA THR A 66 17.701 9.326 -0.955 1.00 6.47 C ATOM 975 C THR A 66 18.465 8.019 -0.951 1.00 6.60 C ATOM 976 O THR A 66 19.106 7.656 0.037 1.00 6.62 O ATOM 977 CB THR A 66 17.121 9.597 0.443 1.00 6.64 C ATOM 978 OG1 THR A 66 16.032 8.695 0.694 1.00 7.18 O ATOM 979 CG2 THR A 66 16.633 11.038 0.556 1.00 6.82 C ATOM 0 H THR A 66 15.831 8.716 -1.646 1.00 6.67 H new ATOM 0 HA THR A 66 18.373 10.145 -1.212 1.00 6.47 H new ATOM 0 HB THR A 66 17.906 9.440 1.183 1.00 6.64 H new ATOM 0 HG1 THR A 66 15.664 8.867 1.586 1.00 7.18 H new ATOM 0 HG21 THR A 66 16.227 11.207 1.553 1.00 6.82 H new ATOM 0 HG22 THR A 66 17.466 11.719 0.383 1.00 6.82 H new ATOM 0 HG23 THR A 66 15.857 11.219 -0.188 1.00 6.82 H new ATOM 987 N GLN A 67 18.368 7.313 -2.080 1.00 6.89 N ATOM 988 CA GLN A 67 18.947 5.988 -2.244 1.00 7.37 C ATOM 989 C GLN A 67 18.241 5.000 -1.314 1.00 7.24 C ATOM 990 O GLN A 67 18.732 3.901 -1.069 1.00 7.66 O ATOM 991 CB GLN A 67 20.455 6.027 -1.961 1.00 8.01 C ATOM 992 CG GLN A 67 21.215 4.785 -2.401 1.00 8.35 C ATOM 993 CD GLN A 67 22.665 4.802 -1.959 1.00 9.02 C ATOM 994 OE1 GLN A 67 22.924 4.243 -0.789 1.00 9.58 O flip ATOM 995 NE2 GLN A 67 23.541 5.312 -2.658 1.00 9.24 N flip ATOM 0 H GLN A 67 17.881 7.652 -2.909 1.00 6.89 H new ATOM 0 HA GLN A 67 18.807 5.658 -3.273 1.00 7.37 H new ATOM 0 HB2 GLN A 67 20.883 6.895 -2.462 1.00 8.01 H new ATOM 0 HB3 GLN A 67 20.607 6.170 -0.891 1.00 8.01 H new ATOM 0 HG2 GLN A 67 20.725 3.901 -1.994 1.00 8.35 H new ATOM 0 HG3 GLN A 67 21.171 4.702 -3.487 1.00 8.35 H new ATOM 0 HE21 GLN A 67 23.297 5.733 -3.555 1.00 9.24 H new ATOM 0 HE22 GLN A 67 24.510 5.314 -2.340 1.00 9.24 H new ATOM 1004 N TYR A 68 17.085 5.429 -0.787 1.00 6.89 N ATOM 1005 CA TYR A 68 16.265 4.603 0.093 1.00 7.01 C ATOM 1006 C TYR A 68 16.977 4.469 1.438 1.00 6.55 C ATOM 1007 O TYR A 68 16.662 3.617 2.266 1.00 6.81 O ATOM 1008 CB TYR A 68 16.001 3.247 -0.585 1.00 7.18 C ATOM 1009 CG TYR A 68 15.067 2.312 0.154 1.00 7.77 C ATOM 1010 CD1 TYR A 68 13.698 2.548 0.177 1.00 8.17 C ATOM 1011 CD2 TYR A 68 15.554 1.214 0.847 1.00 8.20 C ATOM 1012 CE1 TYR A 68 12.840 1.712 0.867 1.00 8.94 C ATOM 1013 CE2 TYR A 68 14.703 0.374 1.544 1.00 8.96 C ATOM 1014 CZ TYR A 68 13.355 0.560 1.477 1.00 9.31 C ATOM 1015 OH TYR A 68 12.492 -0.205 2.244 1.00 10.22 O ATOM 0 H TYR A 68 16.698 6.357 -0.962 1.00 6.89 H new ATOM 0 HA TYR A 68 15.293 5.060 0.278 1.00 7.01 H new ATOM 0 HB2 TYR A 68 15.589 3.432 -1.577 1.00 7.18 H new ATOM 0 HB3 TYR A 68 16.956 2.740 -0.726 1.00 7.18 H new ATOM 0 HD1 TYR A 68 13.297 3.399 -0.353 1.00 8.17 H new ATOM 0 HD2 TYR A 68 16.615 1.011 0.843 1.00 8.20 H new ATOM 0 HE1 TYR A 68 11.787 1.943 0.935 1.00 8.94 H new ATOM 0 HE2 TYR A 68 15.108 -0.429 2.141 1.00 8.96 H new ATOM 0 HH TYR A 68 12.975 -0.976 2.609 1.00 10.22 H new ATOM 1025 N GLY A 69 17.922 5.376 1.647 1.00 6.15 N ATOM 1026 CA GLY A 69 18.732 5.360 2.847 1.00 6.07 C ATOM 1027 C GLY A 69 20.207 5.267 2.525 1.00 5.90 C ATOM 1028 O GLY A 69 20.847 4.253 2.795 1.00 5.61 O ATOM 0 H GLY A 69 18.143 6.131 0.997 1.00 6.15 H new ATOM 0 HA2 GLY A 69 18.542 6.264 3.426 1.00 6.07 H new ATOM 0 HA3 GLY A 69 18.442 4.515 3.471 1.00 6.07 H new ATOM 1032 N GLN A 70 20.741 6.332 1.937 1.00 6.45 N ATOM 1033 CA GLN A 70 22.133 6.362 1.498 1.00 6.69 C ATOM 1034 C GLN A 70 23.092 6.411 2.679 1.00 6.71 C ATOM 1035 O GLN A 70 24.228 5.949 2.581 1.00 7.25 O ATOM 1036 CB GLN A 70 22.366 7.555 0.555 1.00 7.70 C ATOM 1037 CG GLN A 70 22.065 8.920 1.163 1.00 8.32 C ATOM 1038 CD GLN A 70 23.237 9.506 1.931 1.00 9.06 C ATOM 1039 OE1 GLN A 70 24.447 9.215 1.481 1.00 9.52 O flip ATOM 1040 NE2 GLN A 70 23.052 10.219 2.915 1.00 9.42 N flip ATOM 0 H GLN A 70 20.226 7.193 1.752 1.00 6.45 H new ATOM 0 HA GLN A 70 22.335 5.439 0.954 1.00 6.69 H new ATOM 0 HB2 GLN A 70 23.405 7.541 0.225 1.00 7.70 H new ATOM 0 HB3 GLN A 70 21.747 7.424 -0.333 1.00 7.70 H new ATOM 0 HG2 GLN A 70 21.779 9.609 0.368 1.00 8.32 H new ATOM 0 HG3 GLN A 70 21.209 8.832 1.832 1.00 8.32 H new ATOM 0 HE21 GLN A 70 22.102 10.419 3.229 1.00 9.42 H new ATOM 0 HE22 GLN A 70 23.848 10.611 3.418 1.00 9.42 H new ATOM 1049 N LYS A 71 22.633 6.958 3.796 1.00 6.35 N ATOM 1050 CA LYS A 71 23.485 7.068 4.969 1.00 6.54 C ATOM 1051 C LYS A 71 23.478 5.755 5.756 1.00 6.34 C ATOM 1052 O LYS A 71 22.440 5.286 6.231 1.00 6.36 O ATOM 1053 CB LYS A 71 23.086 8.273 5.852 1.00 6.82 C ATOM 1054 CG LYS A 71 21.864 8.072 6.737 1.00 6.50 C ATOM 1055 CD LYS A 71 20.634 7.663 5.948 1.00 6.36 C ATOM 1056 CE LYS A 71 19.486 7.304 6.875 1.00 6.74 C ATOM 1057 NZ LYS A 71 19.864 6.237 7.842 1.00 6.51 N ATOM 0 H LYS A 71 21.689 7.327 3.914 1.00 6.35 H new ATOM 0 HA LYS A 71 24.506 7.253 4.634 1.00 6.54 H new ATOM 0 HB2 LYS A 71 23.933 8.529 6.488 1.00 6.82 H new ATOM 0 HB3 LYS A 71 22.904 9.130 5.203 1.00 6.82 H new ATOM 0 HG2 LYS A 71 22.082 7.309 7.484 1.00 6.50 H new ATOM 0 HG3 LYS A 71 21.655 8.996 7.277 1.00 6.50 H new ATOM 0 HD2 LYS A 71 20.333 8.478 5.289 1.00 6.36 H new ATOM 0 HD3 LYS A 71 20.873 6.810 5.312 1.00 6.36 H new ATOM 0 HE2 LYS A 71 19.169 8.193 7.421 1.00 6.74 H new ATOM 0 HE3 LYS A 71 18.633 6.972 6.284 1.00 6.74 H new ATOM 0 HZ1 LYS A 71 19.006 5.844 8.278 1.00 6.51 H new ATOM 0 HZ2 LYS A 71 20.376 5.482 7.343 1.00 6.51 H new ATOM 0 HZ3 LYS A 71 20.475 6.639 8.581 1.00 6.51 H new ATOM 1071 N PRO A 72 24.637 5.103 5.848 1.00 6.47 N ATOM 1072 CA PRO A 72 24.785 3.838 6.549 1.00 6.58 C ATOM 1073 C PRO A 72 24.950 4.033 8.051 1.00 6.47 C ATOM 1074 O PRO A 72 25.928 4.633 8.506 1.00 6.74 O ATOM 1075 CB PRO A 72 26.063 3.238 5.936 1.00 7.14 C ATOM 1076 CG PRO A 72 26.470 4.192 4.855 1.00 7.24 C ATOM 1077 CD PRO A 72 25.903 5.518 5.253 1.00 6.89 C ATOM 0 HA PRO A 72 23.908 3.200 6.439 1.00 6.58 H new ATOM 0 HB2 PRO A 72 26.848 3.135 6.686 1.00 7.14 H new ATOM 0 HB3 PRO A 72 25.876 2.243 5.532 1.00 7.14 H new ATOM 0 HG2 PRO A 72 27.555 4.241 4.764 1.00 7.24 H new ATOM 0 HG3 PRO A 72 26.083 3.875 3.887 1.00 7.24 H new ATOM 0 HD2 PRO A 72 26.541 6.045 5.963 1.00 6.89 H new ATOM 0 HD3 PRO A 72 25.761 6.181 4.399 1.00 6.89 H new ATOM 1085 N GLU A 73 23.994 3.526 8.814 1.00 6.33 N ATOM 1086 CA GLU A 73 24.046 3.606 10.267 1.00 6.45 C ATOM 1087 C GLU A 73 25.029 2.586 10.806 1.00 6.01 C ATOM 1088 O GLU A 73 24.690 1.410 10.954 1.00 5.68 O ATOM 1089 CB GLU A 73 22.670 3.341 10.886 1.00 6.92 C ATOM 1090 CG GLU A 73 21.551 4.222 10.342 1.00 7.38 C ATOM 1091 CD GLU A 73 21.811 5.701 10.537 1.00 7.92 C ATOM 1092 OE1 GLU A 73 21.884 6.145 11.704 1.00 8.39 O ATOM 1093 OE2 GLU A 73 21.975 6.423 9.533 1.00 8.11 O ATOM 0 H GLU A 73 23.168 3.052 8.449 1.00 6.33 H new ATOM 0 HA GLU A 73 24.365 4.614 10.533 1.00 6.45 H new ATOM 0 HB2 GLU A 73 22.406 2.297 10.720 1.00 6.92 H new ATOM 0 HB3 GLU A 73 22.737 3.485 11.964 1.00 6.92 H new ATOM 0 HG2 GLU A 73 21.421 4.019 9.279 1.00 7.38 H new ATOM 0 HG3 GLU A 73 20.615 3.956 10.834 1.00 7.38 H new ATOM 1100 N GLN A 74 26.249 3.022 11.084 1.00 6.31 N ATOM 1101 CA GLN A 74 27.261 2.130 11.630 1.00 6.22 C ATOM 1102 C GLN A 74 27.809 2.663 12.953 1.00 6.34 C ATOM 1103 O GLN A 74 28.987 3.007 13.044 1.00 6.32 O ATOM 1104 CB GLN A 74 28.414 1.938 10.638 1.00 6.38 C ATOM 1105 CG GLN A 74 27.974 1.469 9.257 1.00 6.83 C ATOM 1106 CD GLN A 74 27.270 0.125 9.275 1.00 7.20 C ATOM 1107 OE1 GLN A 74 27.538 -0.729 10.122 1.00 7.16 O ATOM 1108 NE2 GLN A 74 26.357 -0.073 8.334 1.00 7.82 N ATOM 0 H GLN A 74 26.561 3.983 10.941 1.00 6.31 H new ATOM 0 HA GLN A 74 26.783 1.167 11.810 1.00 6.22 H new ATOM 0 HB2 GLN A 74 28.952 2.880 10.536 1.00 6.38 H new ATOM 0 HB3 GLN A 74 29.116 1.213 11.050 1.00 6.38 H new ATOM 0 HG2 GLN A 74 27.308 2.214 8.823 1.00 6.83 H new ATOM 0 HG3 GLN A 74 28.847 1.405 8.607 1.00 6.83 H new ATOM 0 HE21 GLN A 74 26.163 0.658 7.650 1.00 7.82 H new ATOM 0 HE22 GLN A 74 25.849 -0.957 8.294 1.00 7.82 H new ATOM 1117 N PRO A 75 26.968 2.751 14.007 1.00 6.73 N ATOM 1118 CA PRO A 75 27.406 3.202 15.325 1.00 7.11 C ATOM 1119 C PRO A 75 28.220 2.131 16.027 1.00 7.12 C ATOM 1120 O PRO A 75 29.076 2.433 16.855 1.00 7.46 O ATOM 1121 CB PRO A 75 26.098 3.457 16.095 1.00 7.79 C ATOM 1122 CG PRO A 75 25.001 3.319 15.089 1.00 7.64 C ATOM 1123 CD PRO A 75 25.536 2.427 14.009 1.00 7.09 C ATOM 0 HA PRO A 75 28.043 4.084 15.262 1.00 7.11 H new ATOM 0 HB2 PRO A 75 25.976 2.741 16.907 1.00 7.79 H new ATOM 0 HB3 PRO A 75 26.095 4.451 16.543 1.00 7.79 H new ATOM 0 HG2 PRO A 75 24.108 2.889 15.543 1.00 7.64 H new ATOM 0 HG3 PRO A 75 24.717 4.291 14.686 1.00 7.64 H new ATOM 0 HD2 PRO A 75 25.359 1.374 14.228 1.00 7.09 H new ATOM 0 HD3 PRO A 75 25.072 2.635 13.045 1.00 7.09 H new ATOM 1131 N SER A 76 27.935 0.881 15.664 1.00 7.00 N ATOM 1132 CA SER A 76 28.593 -0.289 16.247 1.00 7.24 C ATOM 1133 C SER A 76 28.141 -0.516 17.690 1.00 7.24 C ATOM 1134 O SER A 76 28.197 0.386 18.531 1.00 7.02 O ATOM 1135 CB SER A 76 30.120 -0.158 16.171 1.00 7.66 C ATOM 1136 OG SER A 76 30.544 0.051 14.834 1.00 7.89 O ATOM 0 H SER A 76 27.239 0.650 14.955 1.00 7.00 H new ATOM 0 HA SER A 76 28.298 -1.159 15.661 1.00 7.24 H new ATOM 0 HB2 SER A 76 30.449 0.673 16.795 1.00 7.66 H new ATOM 0 HB3 SER A 76 30.587 -1.060 16.568 1.00 7.66 H new ATOM 0 HG SER A 76 31.498 0.276 14.825 1.00 7.89 H new ATOM 1142 N GLY A 77 27.671 -1.726 17.965 1.00 7.81 N ATOM 1143 CA GLY A 77 27.198 -2.053 19.295 1.00 8.19 C ATOM 1144 C GLY A 77 27.365 -3.523 19.626 1.00 8.67 C ATOM 1145 O GLY A 77 28.436 -3.950 20.058 1.00 9.39 O ATOM 0 H GLY A 77 27.609 -2.487 17.289 1.00 7.81 H new ATOM 0 HA2 GLY A 77 27.741 -1.455 20.027 1.00 8.19 H new ATOM 0 HA3 GLY A 77 26.146 -1.782 19.380 1.00 8.19 H new ATOM 1149 N ALA A 78 26.312 -4.303 19.402 1.00 8.46 N ATOM 1150 CA ALA A 78 26.338 -5.730 19.694 1.00 9.08 C ATOM 1151 C ALA A 78 27.137 -6.496 18.644 1.00 9.03 C ATOM 1152 O ALA A 78 26.631 -6.820 17.567 1.00 8.98 O ATOM 1153 CB ALA A 78 24.920 -6.275 19.802 1.00 9.36 C ATOM 0 H ALA A 78 25.428 -3.969 19.018 1.00 8.46 H new ATOM 0 HA ALA A 78 26.837 -5.870 20.653 1.00 9.08 H new ATOM 0 HB1 ALA A 78 24.956 -7.342 20.020 1.00 9.36 H new ATOM 0 HB2 ALA A 78 24.392 -5.758 20.603 1.00 9.36 H new ATOM 0 HB3 ALA A 78 24.396 -6.115 18.860 1.00 9.36 H new ATOM 1159 N SER A 79 28.403 -6.735 18.952 1.00 9.25 N ATOM 1160 CA SER A 79 29.262 -7.528 18.088 1.00 9.45 C ATOM 1161 C SER A 79 29.856 -8.699 18.871 1.00 9.58 C ATOM 1162 O SER A 79 30.369 -9.652 18.282 1.00 9.90 O ATOM 1163 CB SER A 79 30.371 -6.653 17.498 1.00 9.59 C ATOM 1164 OG SER A 79 29.831 -5.508 16.856 1.00 9.83 O ATOM 0 H SER A 79 28.859 -6.390 19.797 1.00 9.25 H new ATOM 0 HA SER A 79 28.667 -7.928 17.267 1.00 9.45 H new ATOM 0 HB2 SER A 79 31.053 -6.342 18.289 1.00 9.59 H new ATOM 0 HB3 SER A 79 30.955 -7.233 16.783 1.00 9.59 H new ATOM 0 HG SER A 79 30.559 -4.965 16.489 1.00 9.83 H new ATOM 1170 N ALA A 80 29.809 -8.586 20.202 1.00 9.56 N ATOM 1171 CA ALA A 80 30.209 -9.659 21.114 1.00 9.88 C ATOM 1172 C ALA A 80 31.716 -9.854 21.080 1.00 9.90 C ATOM 1173 O ALA A 80 32.238 -10.686 20.335 1.00 10.21 O ATOM 1174 CB ALA A 80 29.476 -10.955 20.802 1.00 10.43 C ATOM 0 H ALA A 80 29.490 -7.742 20.678 1.00 9.56 H new ATOM 0 HA ALA A 80 29.928 -9.365 22.125 1.00 9.88 H new ATOM 0 HB1 ALA A 80 29.796 -11.731 21.498 1.00 10.43 H new ATOM 0 HB2 ALA A 80 28.402 -10.799 20.902 1.00 10.43 H new ATOM 0 HB3 ALA A 80 29.704 -11.265 19.782 1.00 10.43 H new ATOM 1180 N GLY A 81 32.413 -9.058 21.876 1.00 9.80 N ATOM 1181 CA GLY A 81 33.859 -9.019 21.805 1.00 10.04 C ATOM 1182 C GLY A 81 34.326 -8.172 20.644 1.00 10.12 C ATOM 1183 O GLY A 81 35.526 -7.974 20.450 1.00 10.38 O ATOM 0 H GLY A 81 32.002 -8.436 22.572 1.00 9.80 H new ATOM 0 HA2 GLY A 81 34.261 -8.618 22.736 1.00 10.04 H new ATOM 0 HA3 GLY A 81 34.248 -10.032 21.700 1.00 10.04 H new ATOM 1187 N HIS A 82 33.352 -7.667 19.883 1.00 10.09 N ATOM 1188 CA HIS A 82 33.607 -6.848 18.701 1.00 10.32 C ATOM 1189 C HIS A 82 34.452 -7.620 17.696 1.00 10.96 C ATOM 1190 O HIS A 82 35.363 -7.076 17.077 1.00 11.19 O ATOM 1191 CB HIS A 82 34.294 -5.537 19.083 1.00 10.38 C ATOM 1192 CG HIS A 82 33.541 -4.727 20.095 1.00 10.29 C ATOM 1193 ND1 HIS A 82 34.075 -4.386 21.318 1.00 10.66 N ATOM 1194 CD2 HIS A 82 32.296 -4.194 20.069 1.00 10.14 C ATOM 1195 CE1 HIS A 82 33.192 -3.682 22.000 1.00 10.73 C ATOM 1196 NE2 HIS A 82 32.101 -3.552 21.266 1.00 10.43 N ATOM 0 H HIS A 82 32.361 -7.817 20.072 1.00 10.09 H new ATOM 0 HA HIS A 82 32.649 -6.606 18.240 1.00 10.32 H new ATOM 0 HB2 HIS A 82 35.286 -5.760 19.476 1.00 10.38 H new ATOM 0 HB3 HIS A 82 34.435 -4.937 18.184 1.00 10.38 H new ATOM 0 HD2 HIS A 82 31.588 -4.262 19.256 1.00 10.14 H new ATOM 0 HE1 HIS A 82 33.337 -3.280 22.992 1.00 10.73 H new ATOM 0 HE2 HIS A 82 31.254 -3.056 21.543 1.00 10.43 H new ATOM 1205 N ARG A 83 34.116 -8.891 17.536 1.00 11.41 N ATOM 1206 CA ARG A 83 34.824 -9.780 16.625 1.00 12.20 C ATOM 1207 C ARG A 83 34.625 -9.341 15.173 1.00 12.66 C ATOM 1208 O ARG A 83 33.749 -8.523 14.883 1.00 12.79 O ATOM 1209 CB ARG A 83 34.340 -11.217 16.842 1.00 12.48 C ATOM 1210 CG ARG A 83 32.842 -11.394 16.635 1.00 12.24 C ATOM 1211 CD ARG A 83 32.242 -12.352 17.654 1.00 12.18 C ATOM 1212 NE ARG A 83 32.983 -13.609 17.745 1.00 12.92 N ATOM 1213 CZ ARG A 83 33.384 -14.154 18.895 1.00 13.33 C ATOM 1214 NH1 ARG A 83 33.175 -13.520 20.047 1.00 13.12 N ATOM 1215 NH2 ARG A 83 34.019 -15.316 18.892 1.00 14.12 N ATOM 0 H ARG A 83 33.345 -9.336 18.034 1.00 11.41 H new ATOM 0 HA ARG A 83 35.893 -9.733 16.834 1.00 12.20 H new ATOM 0 HB2 ARG A 83 34.873 -11.878 16.159 1.00 12.48 H new ATOM 0 HB3 ARG A 83 34.598 -11.529 17.854 1.00 12.48 H new ATOM 0 HG2 ARG A 83 32.347 -10.426 16.711 1.00 12.24 H new ATOM 0 HG3 ARG A 83 32.656 -11.769 15.629 1.00 12.24 H new ATOM 0 HD2 ARG A 83 32.225 -11.872 18.633 1.00 12.18 H new ATOM 0 HD3 ARG A 83 31.207 -12.563 17.384 1.00 12.18 H new ATOM 0 HE ARG A 83 33.207 -14.098 16.878 1.00 12.92 H new ATOM 0 HH11 ARG A 83 32.707 -12.614 20.053 1.00 13.12 H new ATOM 0 HH12 ARG A 83 33.483 -13.940 20.924 1.00 13.12 H new ATOM 0 HH21 ARG A 83 34.202 -15.795 18.010 1.00 14.12 H new ATOM 0 HH22 ARG A 83 34.325 -15.732 19.771 1.00 14.12 H new ATOM 1229 N PHE A 84 35.416 -9.896 14.260 1.00 13.06 N ATOM 1230 CA PHE A 84 35.413 -9.428 12.873 1.00 13.61 C ATOM 1231 C PHE A 84 35.069 -10.543 11.855 1.00 14.10 C ATOM 1232 O PHE A 84 35.666 -10.586 10.782 1.00 14.50 O ATOM 1233 CB PHE A 84 36.799 -8.861 12.532 1.00 14.25 C ATOM 1234 CG PHE A 84 37.364 -7.936 13.576 1.00 14.22 C ATOM 1235 CD1 PHE A 84 36.946 -6.616 13.644 1.00 14.39 C ATOM 1236 CD2 PHE A 84 38.300 -8.383 14.490 1.00 14.17 C ATOM 1237 CE1 PHE A 84 37.454 -5.758 14.605 1.00 14.57 C ATOM 1238 CE2 PHE A 84 38.810 -7.534 15.457 1.00 14.34 C ATOM 1239 CZ PHE A 84 38.432 -6.230 15.500 1.00 14.57 C ATOM 0 H PHE A 84 36.062 -10.662 14.450 1.00 13.06 H new ATOM 0 HA PHE A 84 34.638 -8.666 12.796 1.00 13.61 H new ATOM 0 HB2 PHE A 84 37.491 -9.690 12.385 1.00 14.25 H new ATOM 0 HB3 PHE A 84 36.737 -8.326 11.585 1.00 14.25 H new ATOM 0 HD1 PHE A 84 36.214 -6.252 12.938 1.00 14.39 H new ATOM 0 HD2 PHE A 84 38.638 -9.408 14.449 1.00 14.17 H new ATOM 0 HE1 PHE A 84 37.104 -4.738 14.667 1.00 14.57 H new ATOM 0 HE2 PHE A 84 39.514 -7.912 16.183 1.00 14.34 H new ATOM 0 HZ PHE A 84 38.880 -5.559 16.218 1.00 14.57 H new ATOM 1249 N PRO A 85 34.086 -11.438 12.123 1.00 14.25 N ATOM 1250 CA PRO A 85 33.766 -12.533 11.211 1.00 14.89 C ATOM 1251 C PRO A 85 32.772 -12.114 10.134 1.00 14.90 C ATOM 1252 O PRO A 85 32.650 -12.759 9.093 1.00 15.47 O ATOM 1253 CB PRO A 85 33.153 -13.601 12.129 1.00 14.92 C ATOM 1254 CG PRO A 85 32.937 -12.944 13.461 1.00 14.53 C ATOM 1255 CD PRO A 85 33.201 -11.470 13.284 1.00 14.02 C ATOM 0 HA PRO A 85 34.644 -12.881 10.667 1.00 14.89 H new ATOM 0 HB2 PRO A 85 32.212 -13.970 11.721 1.00 14.92 H new ATOM 0 HB3 PRO A 85 33.818 -14.460 12.223 1.00 14.92 H new ATOM 0 HG2 PRO A 85 31.919 -13.112 13.811 1.00 14.53 H new ATOM 0 HG3 PRO A 85 33.606 -13.367 14.211 1.00 14.53 H new ATOM 0 HD2 PRO A 85 32.281 -10.913 13.107 1.00 14.02 H new ATOM 0 HD3 PRO A 85 33.673 -11.035 14.165 1.00 14.02 H new ATOM 1263 N GLN A 86 32.066 -11.025 10.387 1.00 14.42 N ATOM 1264 CA GLN A 86 31.117 -10.497 9.423 1.00 14.58 C ATOM 1265 C GLN A 86 31.760 -9.404 8.583 1.00 14.98 C ATOM 1266 O GLN A 86 31.123 -8.837 7.692 1.00 15.51 O ATOM 1267 CB GLN A 86 29.840 -9.960 10.100 1.00 13.80 C ATOM 1268 CG GLN A 86 29.925 -9.689 11.606 1.00 13.24 C ATOM 1269 CD GLN A 86 30.986 -8.680 12.011 1.00 12.42 C ATOM 1270 OE1 GLN A 86 31.389 -7.827 11.229 1.00 12.34 O ATOM 1271 NE2 GLN A 86 31.409 -8.753 13.264 1.00 11.97 N ATOM 0 H GLN A 86 32.132 -10.489 11.252 1.00 14.42 H new ATOM 0 HA GLN A 86 30.825 -11.324 8.775 1.00 14.58 H new ATOM 0 HB2 GLN A 86 29.554 -9.033 9.602 1.00 13.80 H new ATOM 0 HB3 GLN A 86 29.036 -10.675 9.927 1.00 13.80 H new ATOM 0 HG2 GLN A 86 28.954 -9.334 11.953 1.00 13.24 H new ATOM 0 HG3 GLN A 86 30.123 -10.630 12.120 1.00 13.24 H new ATOM 0 HE21 GLN A 86 31.048 -9.479 13.883 1.00 11.97 H new ATOM 0 HE22 GLN A 86 32.096 -8.083 13.610 1.00 11.97 H new ATOM 1280 N GLY A 87 33.038 -9.133 8.850 1.00 14.85 N ATOM 1281 CA GLY A 87 33.707 -8.035 8.191 1.00 15.28 C ATOM 1282 C GLY A 87 33.091 -6.717 8.593 1.00 15.54 C ATOM 1283 O GLY A 87 32.277 -6.158 7.859 1.00 16.04 O ATOM 0 H GLY A 87 33.615 -9.656 9.509 1.00 14.85 H new ATOM 0 HA2 GLY A 87 34.766 -8.041 8.448 1.00 15.28 H new ATOM 0 HA3 GLY A 87 33.641 -8.158 7.110 1.00 15.28 H new ATOM 1287 N TYR A 88 33.475 -6.243 9.773 1.00 15.34 N ATOM 1288 CA TYR A 88 32.859 -5.069 10.392 1.00 15.74 C ATOM 1289 C TYR A 88 32.727 -3.899 9.415 1.00 16.38 C ATOM 1290 O TYR A 88 33.688 -3.499 8.760 1.00 16.65 O ATOM 1291 CB TYR A 88 33.657 -4.639 11.630 1.00 15.89 C ATOM 1292 CG TYR A 88 35.068 -4.165 11.335 1.00 16.18 C ATOM 1293 CD1 TYR A 88 36.038 -5.043 10.871 1.00 16.39 C ATOM 1294 CD2 TYR A 88 35.427 -2.836 11.529 1.00 16.39 C ATOM 1295 CE1 TYR A 88 37.325 -4.611 10.616 1.00 16.82 C ATOM 1296 CE2 TYR A 88 36.712 -2.400 11.271 1.00 16.82 C ATOM 1297 CZ TYR A 88 37.653 -3.292 10.817 1.00 17.05 C ATOM 1298 OH TYR A 88 38.930 -2.862 10.566 1.00 17.61 O ATOM 0 H TYR A 88 34.222 -6.660 10.329 1.00 15.34 H new ATOM 0 HA TYR A 88 31.851 -5.355 10.692 1.00 15.74 H new ATOM 0 HB2 TYR A 88 33.116 -3.839 12.135 1.00 15.89 H new ATOM 0 HB3 TYR A 88 33.707 -5.478 12.324 1.00 15.89 H new ATOM 0 HD1 TYR A 88 35.783 -6.079 10.707 1.00 16.39 H new ATOM 0 HD2 TYR A 88 34.689 -2.133 11.887 1.00 16.39 H new ATOM 0 HE1 TYR A 88 38.070 -5.307 10.260 1.00 16.82 H new ATOM 0 HE2 TYR A 88 36.975 -1.364 11.425 1.00 16.82 H new ATOM 0 HH TYR A 88 38.996 -1.903 10.758 1.00 17.61 H new ATOM 1308 N HIS A 89 31.526 -3.346 9.348 1.00 16.74 N ATOM 1309 CA HIS A 89 31.221 -2.244 8.432 1.00 17.45 C ATOM 1310 C HIS A 89 31.517 -0.909 9.098 1.00 17.29 C ATOM 1311 O HIS A 89 31.069 0.137 8.639 1.00 17.63 O ATOM 1312 CB HIS A 89 29.746 -2.274 8.008 1.00 18.42 C ATOM 1313 CG HIS A 89 29.347 -3.471 7.194 1.00 18.85 C ATOM 1314 ND1 HIS A 89 28.561 -3.388 6.064 1.00 19.52 N ATOM 1315 CD2 HIS A 89 29.610 -4.785 7.365 1.00 18.83 C ATOM 1316 CE1 HIS A 89 28.356 -4.601 5.586 1.00 19.89 C ATOM 1317 NE2 HIS A 89 28.979 -5.466 6.357 1.00 19.49 N ATOM 0 H HIS A 89 30.736 -3.642 9.921 1.00 16.74 H new ATOM 0 HA HIS A 89 31.848 -2.363 7.548 1.00 17.45 H new ATOM 0 HB2 HIS A 89 29.125 -2.238 8.903 1.00 18.42 H new ATOM 0 HB3 HIS A 89 29.530 -1.373 7.433 1.00 18.42 H new ATOM 0 HD2 HIS A 89 30.208 -5.219 8.152 1.00 18.83 H new ATOM 0 HE1 HIS A 89 27.774 -4.843 4.709 1.00 19.89 H new ATOM 0 HE2 HIS A 89 28.990 -6.477 6.226 1.00 19.49 H new ATOM 1326 N SER A 90 32.288 -0.958 10.175 1.00 16.89 N ATOM 1327 CA SER A 90 32.542 0.214 10.997 1.00 16.87 C ATOM 1328 C SER A 90 33.681 1.069 10.438 1.00 17.40 C ATOM 1329 O SER A 90 33.594 2.299 10.450 1.00 17.57 O ATOM 1330 CB SER A 90 32.885 -0.233 12.416 1.00 16.22 C ATOM 1331 OG SER A 90 31.992 -1.239 12.859 1.00 16.09 O ATOM 0 H SER A 90 32.752 -1.806 10.501 1.00 16.89 H new ATOM 0 HA SER A 90 31.641 0.827 10.999 1.00 16.87 H new ATOM 0 HB2 SER A 90 33.907 -0.610 12.446 1.00 16.22 H new ATOM 0 HB3 SER A 90 32.841 0.621 13.091 1.00 16.22 H new ATOM 0 HG SER A 90 31.322 -0.843 13.454 1.00 16.09 H new ATOM 1337 N ASP A 91 34.739 0.407 9.949 1.00 17.78 N ATOM 1338 CA ASP A 91 35.972 1.081 9.501 1.00 18.42 C ATOM 1339 C ASP A 91 36.676 1.767 10.672 1.00 18.69 C ATOM 1340 O ASP A 91 37.682 1.260 11.174 1.00 19.21 O ATOM 1341 CB ASP A 91 35.688 2.092 8.380 1.00 19.03 C ATOM 1342 CG ASP A 91 36.897 2.947 8.042 1.00 19.61 C ATOM 1343 OD1 ASP A 91 37.897 2.412 7.529 1.00 20.11 O ATOM 1344 OD2 ASP A 91 36.844 4.170 8.274 1.00 19.68 O ATOM 0 H ASP A 91 34.767 -0.608 9.852 1.00 17.78 H new ATOM 0 HA ASP A 91 36.634 0.314 9.100 1.00 18.42 H new ATOM 0 HB2 ASP A 91 35.365 1.557 7.487 1.00 19.03 H new ATOM 0 HB3 ASP A 91 34.863 2.738 8.680 1.00 19.03 H new ATOM 1349 N LYS A 92 36.122 2.903 11.112 1.00 18.45 N ATOM 1350 CA LYS A 92 36.644 3.670 12.246 1.00 18.78 C ATOM 1351 C LYS A 92 37.982 4.319 11.904 1.00 19.35 C ATOM 1352 O LYS A 92 38.056 5.523 11.654 1.00 19.92 O ATOM 1353 CB LYS A 92 36.795 2.780 13.489 1.00 18.38 C ATOM 1354 CG LYS A 92 35.513 2.068 13.894 1.00 18.13 C ATOM 1355 CD LYS A 92 35.782 0.990 14.932 1.00 18.03 C ATOM 1356 CE LYS A 92 36.787 -0.035 14.421 1.00 17.98 C ATOM 1357 NZ LYS A 92 37.049 -1.103 15.417 1.00 17.78 N ATOM 0 H LYS A 92 35.293 3.318 10.687 1.00 18.45 H new ATOM 0 HA LYS A 92 35.924 4.458 12.466 1.00 18.78 H new ATOM 0 HB2 LYS A 92 37.569 2.036 13.300 1.00 18.38 H new ATOM 0 HB3 LYS A 92 37.139 3.392 14.323 1.00 18.38 H new ATOM 0 HG2 LYS A 92 34.804 2.792 14.295 1.00 18.13 H new ATOM 0 HG3 LYS A 92 35.050 1.621 13.014 1.00 18.13 H new ATOM 0 HD2 LYS A 92 36.160 1.449 15.846 1.00 18.03 H new ATOM 0 HD3 LYS A 92 34.849 0.490 15.189 1.00 18.03 H new ATOM 0 HE2 LYS A 92 36.412 -0.482 13.500 1.00 17.98 H new ATOM 0 HE3 LYS A 92 37.722 0.467 14.174 1.00 17.98 H new ATOM 0 HZ1 LYS A 92 37.738 -1.778 15.029 1.00 17.78 H new ATOM 0 HZ2 LYS A 92 37.431 -0.680 16.287 1.00 17.78 H new ATOM 0 HZ3 LYS A 92 36.162 -1.600 15.635 1.00 17.78 H new ATOM 1371 N ARG A 93 39.033 3.512 11.886 1.00 19.31 N ATOM 1372 CA ARG A 93 40.366 3.997 11.568 1.00 19.91 C ATOM 1373 C ARG A 93 41.003 3.109 10.520 1.00 20.36 C ATOM 1374 O ARG A 93 42.092 2.568 10.725 1.00 20.53 O ATOM 1375 CB ARG A 93 41.264 4.067 12.813 1.00 20.42 C ATOM 1376 CG ARG A 93 40.884 5.156 13.804 1.00 20.25 C ATOM 1377 CD ARG A 93 39.750 4.718 14.717 1.00 20.24 C ATOM 1378 NE ARG A 93 39.010 5.859 15.249 1.00 20.81 N ATOM 1379 CZ ARG A 93 38.199 5.803 16.301 1.00 21.12 C ATOM 1380 NH1 ARG A 93 38.109 4.691 17.021 1.00 20.91 N ATOM 1381 NH2 ARG A 93 37.514 6.874 16.660 1.00 21.73 N ATOM 0 H ARG A 93 38.986 2.514 12.089 1.00 19.31 H new ATOM 0 HA ARG A 93 40.264 5.010 11.178 1.00 19.91 H new ATOM 0 HB2 ARG A 93 41.234 3.104 13.322 1.00 20.42 H new ATOM 0 HB3 ARG A 93 42.294 4.227 12.494 1.00 20.42 H new ATOM 0 HG2 ARG A 93 41.754 5.420 14.406 1.00 20.25 H new ATOM 0 HG3 ARG A 93 40.588 6.054 13.262 1.00 20.25 H new ATOM 0 HD2 ARG A 93 39.070 4.069 14.166 1.00 20.24 H new ATOM 0 HD3 ARG A 93 40.154 4.130 15.541 1.00 20.24 H new ATOM 0 HE ARG A 93 39.123 6.759 14.782 1.00 20.81 H new ATOM 0 HH11 ARG A 93 38.664 3.873 16.768 1.00 20.91 H new ATOM 0 HH12 ARG A 93 37.485 4.654 17.827 1.00 20.91 H new ATOM 0 HH21 ARG A 93 37.608 7.741 16.131 1.00 21.73 H new ATOM 0 HH22 ARG A 93 36.891 6.834 17.467 1.00 21.73 H new ATOM 1395 N ARG A 94 40.293 2.960 9.405 1.00 20.65 N ATOM 1396 CA ARG A 94 40.735 2.159 8.272 1.00 21.26 C ATOM 1397 C ARG A 94 40.658 0.671 8.591 1.00 22.10 C ATOM 1398 O ARG A 94 40.671 0.259 9.750 1.00 22.42 O ATOM 1399 CB ARG A 94 42.145 2.553 7.812 1.00 21.34 C ATOM 1400 CG ARG A 94 42.277 4.023 7.425 1.00 21.30 C ATOM 1401 CD ARG A 94 41.480 4.372 6.171 1.00 21.28 C ATOM 1402 NE ARG A 94 40.036 4.434 6.407 1.00 21.49 N ATOM 1403 CZ ARG A 94 39.196 5.195 5.701 1.00 21.68 C ATOM 1404 NH1 ARG A 94 39.658 6.013 4.761 1.00 21.65 N ATOM 1405 NH2 ARG A 94 37.899 5.162 5.957 1.00 21.99 N ATOM 0 H ARG A 94 39.383 3.399 9.263 1.00 20.65 H new ATOM 0 HA ARG A 94 40.055 2.363 7.445 1.00 21.26 H new ATOM 0 HB2 ARG A 94 42.853 2.332 8.611 1.00 21.34 H new ATOM 0 HB3 ARG A 94 42.425 1.935 6.958 1.00 21.34 H new ATOM 0 HG2 ARG A 94 41.936 4.645 8.253 1.00 21.30 H new ATOM 0 HG3 ARG A 94 43.328 4.259 7.261 1.00 21.30 H new ATOM 0 HD2 ARG A 94 41.821 5.333 5.787 1.00 21.28 H new ATOM 0 HD3 ARG A 94 41.685 3.630 5.399 1.00 21.28 H new ATOM 0 HE ARG A 94 39.648 3.861 7.156 1.00 21.49 H new ATOM 0 HH11 ARG A 94 40.660 6.062 4.575 1.00 21.65 H new ATOM 0 HH12 ARG A 94 39.011 6.592 4.225 1.00 21.65 H new ATOM 0 HH21 ARG A 94 37.540 4.555 6.694 1.00 21.99 H new ATOM 0 HH22 ARG A 94 37.258 5.743 5.417 1.00 21.99 H new ATOM 1419 N LEU A 95 40.588 -0.130 7.545 1.00 22.55 N ATOM 1420 CA LEU A 95 40.358 -1.563 7.681 1.00 23.45 C ATOM 1421 C LEU A 95 41.657 -2.317 7.962 1.00 24.13 C ATOM 1422 O LEU A 95 41.756 -3.513 7.675 1.00 24.69 O ATOM 1423 CB LEU A 95 39.696 -2.117 6.408 1.00 23.73 C ATOM 1424 CG LEU A 95 38.258 -1.640 6.131 1.00 23.32 C ATOM 1425 CD1 LEU A 95 37.365 -1.907 7.331 1.00 23.09 C ATOM 1426 CD2 LEU A 95 38.224 -0.163 5.750 1.00 23.46 C ATOM 0 H LEU A 95 40.688 0.188 6.581 1.00 22.55 H new ATOM 0 HA LEU A 95 39.692 -1.712 8.531 1.00 23.45 H new ATOM 0 HB2 LEU A 95 40.317 -1.849 5.553 1.00 23.73 H new ATOM 0 HB3 LEU A 95 39.691 -3.205 6.469 1.00 23.73 H new ATOM 0 HG LEU A 95 37.877 -2.209 5.283 1.00 23.32 H new ATOM 0 HD11 LEU A 95 36.353 -1.563 7.115 1.00 23.09 H new ATOM 0 HD12 LEU A 95 37.348 -2.976 7.541 1.00 23.09 H new ATOM 0 HD13 LEU A 95 37.753 -1.373 8.199 1.00 23.09 H new ATOM 0 HD21 LEU A 95 37.194 0.140 5.561 1.00 23.46 H new ATOM 0 HD22 LEU A 95 38.634 0.433 6.565 1.00 23.46 H new ATOM 0 HD23 LEU A 95 38.819 -0.005 4.851 1.00 23.46 H new ATOM 1438 N SER A 96 42.635 -1.606 8.530 1.00 24.14 N ATOM 1439 CA SER A 96 43.950 -2.161 8.875 1.00 24.84 C ATOM 1440 C SER A 96 44.787 -2.462 7.624 1.00 25.65 C ATOM 1441 O SER A 96 45.972 -2.138 7.569 1.00 26.06 O ATOM 1442 CB SER A 96 43.805 -3.419 9.741 1.00 25.35 C ATOM 1443 OG SER A 96 45.071 -3.899 10.152 1.00 25.01 O ATOM 0 H SER A 96 42.537 -0.619 8.766 1.00 24.14 H new ATOM 0 HA SER A 96 44.479 -1.402 9.452 1.00 24.84 H new ATOM 0 HB2 SER A 96 43.195 -3.194 10.616 1.00 25.35 H new ATOM 0 HB3 SER A 96 43.283 -4.194 9.179 1.00 25.35 H new ATOM 0 HG SER A 96 44.954 -4.700 10.704 1.00 25.01 H new ATOM 1449 N LYS A 97 44.167 -3.080 6.624 1.00 25.95 N ATOM 1450 CA LYS A 97 44.836 -3.392 5.367 1.00 26.80 C ATOM 1451 C LYS A 97 44.813 -2.186 4.435 1.00 26.62 C ATOM 1452 O LYS A 97 45.416 -2.210 3.362 1.00 27.28 O ATOM 1453 CB LYS A 97 44.144 -4.572 4.679 1.00 27.31 C ATOM 1454 CG LYS A 97 44.077 -5.832 5.523 1.00 27.15 C ATOM 1455 CD LYS A 97 43.339 -6.944 4.792 1.00 27.42 C ATOM 1456 CE LYS A 97 44.044 -7.327 3.500 1.00 27.89 C ATOM 1457 NZ LYS A 97 45.282 -8.109 3.750 1.00 28.52 N ATOM 0 H LYS A 97 43.192 -3.377 6.662 1.00 25.95 H new ATOM 0 HA LYS A 97 45.871 -3.654 5.589 1.00 26.80 H new ATOM 0 HB2 LYS A 97 43.131 -4.276 4.407 1.00 27.31 H new ATOM 0 HB3 LYS A 97 44.670 -4.797 3.751 1.00 27.31 H new ATOM 0 HG2 LYS A 97 45.086 -6.162 5.769 1.00 27.15 H new ATOM 0 HG3 LYS A 97 43.573 -5.616 6.465 1.00 27.15 H new ATOM 0 HD2 LYS A 97 43.263 -7.818 5.439 1.00 27.42 H new ATOM 0 HD3 LYS A 97 42.321 -6.622 4.571 1.00 27.42 H new ATOM 0 HE2 LYS A 97 43.366 -7.911 2.877 1.00 27.89 H new ATOM 0 HE3 LYS A 97 44.292 -6.424 2.942 1.00 27.89 H new ATOM 0 HZ1 LYS A 97 45.730 -8.349 2.843 1.00 28.52 H new ATOM 0 HZ2 LYS A 97 45.940 -7.543 4.323 1.00 28.52 H new ATOM 0 HZ3 LYS A 97 45.043 -8.983 4.260 1.00 28.52 H new ATOM 1471 N ALA A 98 44.104 -1.142 4.864 1.00 25.81 N ATOM 1472 CA ALA A 98 43.902 0.066 4.067 1.00 25.63 C ATOM 1473 C ALA A 98 43.064 -0.244 2.831 1.00 26.23 C ATOM 1474 O ALA A 98 41.837 -0.167 2.870 1.00 26.50 O ATOM 1475 CB ALA A 98 45.237 0.720 3.703 1.00 25.39 C ATOM 0 H ALA A 98 43.652 -1.111 5.778 1.00 25.81 H new ATOM 0 HA ALA A 98 43.350 0.788 4.669 1.00 25.63 H new ATOM 0 HB1 ALA A 98 45.054 1.616 3.110 1.00 25.39 H new ATOM 0 HB2 ALA A 98 45.770 0.991 4.614 1.00 25.39 H new ATOM 0 HB3 ALA A 98 45.840 0.020 3.125 1.00 25.39 H new ATOM 1481 N SER A 99 43.726 -0.627 1.760 1.00 26.50 N ATOM 1482 CA SER A 99 43.056 -1.005 0.528 1.00 27.15 C ATOM 1483 C SER A 99 44.025 -1.736 -0.384 1.00 27.64 C ATOM 1484 O SER A 99 45.022 -1.166 -0.830 1.00 28.00 O ATOM 1485 CB SER A 99 42.491 0.219 -0.202 1.00 27.13 C ATOM 1486 OG SER A 99 41.682 -0.184 -1.298 1.00 26.99 O ATOM 0 H SER A 99 44.743 -0.686 1.716 1.00 26.50 H new ATOM 0 HA SER A 99 42.225 -1.661 0.788 1.00 27.15 H new ATOM 0 HB2 SER A 99 41.903 0.822 0.489 1.00 27.13 H new ATOM 0 HB3 SER A 99 43.308 0.847 -0.557 1.00 27.13 H new ATOM 0 HG SER A 99 41.202 0.593 -1.653 1.00 26.99 H new ATOM 1492 N SER A 100 43.733 -2.999 -0.650 1.00 27.71 N ATOM 1493 CA SER A 100 44.521 -3.789 -1.576 1.00 28.26 C ATOM 1494 C SER A 100 43.969 -3.627 -2.990 1.00 28.98 C ATOM 1495 O SER A 100 44.413 -4.289 -3.927 1.00 29.38 O ATOM 1496 CB SER A 100 44.479 -5.262 -1.160 1.00 28.27 C ATOM 1497 OG SER A 100 44.697 -5.402 0.236 1.00 28.11 O ATOM 0 H SER A 100 42.949 -3.500 -0.233 1.00 27.71 H new ATOM 0 HA SER A 100 45.555 -3.444 -1.558 1.00 28.26 H new ATOM 0 HB2 SER A 100 43.513 -5.691 -1.426 1.00 28.27 H new ATOM 0 HB3 SER A 100 45.238 -5.820 -1.708 1.00 28.27 H new ATOM 0 HG SER A 100 44.664 -6.351 0.479 1.00 28.11 H new ATOM 1503 N LYS A 101 43.001 -2.724 -3.129 1.00 29.21 N ATOM 1504 CA LYS A 101 42.294 -2.533 -4.388 1.00 29.94 C ATOM 1505 C LYS A 101 42.620 -1.176 -4.999 1.00 30.44 C ATOM 1506 O LYS A 101 42.978 -1.094 -6.176 1.00 31.19 O ATOM 1507 CB LYS A 101 40.777 -2.644 -4.187 1.00 30.31 C ATOM 1508 CG LYS A 101 40.272 -4.037 -3.824 1.00 30.08 C ATOM 1509 CD LYS A 101 40.687 -4.464 -2.422 1.00 30.22 C ATOM 1510 CE LYS A 101 40.074 -5.798 -2.030 1.00 30.12 C ATOM 1511 NZ LYS A 101 40.447 -6.893 -2.971 1.00 30.42 N ATOM 0 H LYS A 101 42.688 -2.110 -2.377 1.00 29.21 H new ATOM 0 HA LYS A 101 42.625 -3.319 -5.067 1.00 29.94 H new ATOM 0 HB2 LYS A 101 40.479 -1.950 -3.401 1.00 30.31 H new ATOM 0 HB3 LYS A 101 40.280 -2.322 -5.102 1.00 30.31 H new ATOM 0 HG2 LYS A 101 39.185 -4.056 -3.899 1.00 30.08 H new ATOM 0 HG3 LYS A 101 40.654 -4.758 -4.547 1.00 30.08 H new ATOM 0 HD2 LYS A 101 41.773 -4.535 -2.371 1.00 30.22 H new ATOM 0 HD3 LYS A 101 40.384 -3.701 -1.705 1.00 30.22 H new ATOM 0 HE2 LYS A 101 40.398 -6.062 -1.023 1.00 30.12 H new ATOM 0 HE3 LYS A 101 38.989 -5.702 -2.001 1.00 30.12 H new ATOM 0 HZ1 LYS A 101 40.120 -7.804 -2.591 1.00 30.42 H new ATOM 0 HZ2 LYS A 101 40.001 -6.723 -3.895 1.00 30.42 H new ATOM 0 HZ3 LYS A 101 41.481 -6.916 -3.084 1.00 30.42 H new ATOM 1525 N ALA A 102 42.480 -0.119 -4.189 1.00 30.08 N ATOM 1526 CA ALA A 102 42.674 1.262 -4.641 1.00 30.58 C ATOM 1527 C ALA A 102 41.579 1.668 -5.630 1.00 30.59 C ATOM 1528 O ALA A 102 40.691 2.450 -5.300 1.00 30.68 O ATOM 1529 CB ALA A 102 44.059 1.468 -5.248 1.00 30.57 C ATOM 0 H ALA A 102 42.229 -0.198 -3.203 1.00 30.08 H new ATOM 0 HA ALA A 102 42.603 1.907 -3.765 1.00 30.58 H new ATOM 0 HB1 ALA A 102 44.164 2.504 -5.571 1.00 30.57 H new ATOM 0 HB2 ALA A 102 44.821 1.241 -4.502 1.00 30.57 H new ATOM 0 HB3 ALA A 102 44.183 0.806 -6.105 1.00 30.57 H new ATOM 1535 N ARG A 103 41.651 1.129 -6.845 1.00 30.57 N ATOM 1536 CA ARG A 103 40.616 1.334 -7.850 1.00 30.65 C ATOM 1537 C ARG A 103 40.430 0.075 -8.680 1.00 30.77 C ATOM 1538 O ARG A 103 39.347 -0.514 -8.703 1.00 30.46 O ATOM 1539 CB ARG A 103 40.954 2.479 -8.808 1.00 31.34 C ATOM 1540 CG ARG A 103 41.127 3.842 -8.159 1.00 31.28 C ATOM 1541 CD ARG A 103 41.136 4.936 -9.220 1.00 31.10 C ATOM 1542 NE ARG A 103 41.783 6.159 -8.762 1.00 31.07 N ATOM 1543 CZ ARG A 103 42.026 7.210 -9.543 1.00 31.03 C ATOM 1544 NH1 ARG A 103 41.567 7.252 -10.788 1.00 31.01 N ATOM 1545 NH2 ARG A 103 42.722 8.229 -9.061 1.00 31.09 N ATOM 0 H ARG A 103 42.424 0.542 -7.157 1.00 30.57 H new ATOM 0 HA ARG A 103 39.705 1.583 -7.306 1.00 30.65 H new ATOM 0 HB2 ARG A 103 41.873 2.228 -9.337 1.00 31.34 H new ATOM 0 HB3 ARG A 103 40.165 2.549 -9.556 1.00 31.34 H new ATOM 0 HG2 ARG A 103 40.318 4.020 -7.450 1.00 31.28 H new ATOM 0 HG3 ARG A 103 42.058 3.867 -7.593 1.00 31.28 H new ATOM 0 HD2 ARG A 103 41.649 4.570 -10.109 1.00 31.10 H new ATOM 0 HD3 ARG A 103 40.110 5.160 -9.513 1.00 31.10 H new ATOM 0 HE ARG A 103 42.067 6.213 -7.784 1.00 31.07 H new ATOM 0 HH11 ARG A 103 41.021 6.473 -11.157 1.00 31.01 H new ATOM 0 HH12 ARG A 103 41.760 8.063 -11.376 1.00 31.01 H new ATOM 0 HH21 ARG A 103 43.066 8.203 -8.101 1.00 31.09 H new ATOM 0 HH22 ARG A 103 42.914 9.039 -9.650 1.00 31.09 H new ATOM 1559 N SER A 104 41.511 -0.318 -9.364 1.00 31.30 N ATOM 1560 CA SER A 104 41.467 -1.382 -10.357 1.00 31.63 C ATOM 1561 C SER A 104 40.495 -0.969 -11.461 1.00 32.26 C ATOM 1562 O SER A 104 39.824 -1.798 -12.072 1.00 32.63 O ATOM 1563 CB SER A 104 41.047 -2.704 -9.703 1.00 31.49 C ATOM 1564 OG SER A 104 41.614 -3.813 -10.379 1.00 31.60 O ATOM 0 H SER A 104 42.435 0.095 -9.241 1.00 31.30 H new ATOM 0 HA SER A 104 42.455 -1.538 -10.790 1.00 31.63 H new ATOM 0 HB2 SER A 104 41.360 -2.712 -8.659 1.00 31.49 H new ATOM 0 HB3 SER A 104 39.960 -2.787 -9.710 1.00 31.49 H new ATOM 0 HG SER A 104 41.581 -3.658 -11.346 1.00 31.60 H new ATOM 1570 N ASP A 105 40.479 0.341 -11.720 1.00 32.44 N ATOM 1571 CA ASP A 105 39.497 0.960 -12.604 1.00 33.10 C ATOM 1572 C ASP A 105 39.559 0.377 -14.008 1.00 33.71 C ATOM 1573 O ASP A 105 38.544 -0.054 -14.549 1.00 33.79 O ATOM 1574 CB ASP A 105 39.722 2.472 -12.662 1.00 32.92 C ATOM 1575 CG ASP A 105 38.631 3.199 -13.423 1.00 33.34 C ATOM 1576 OD1 ASP A 105 37.520 3.333 -12.874 1.00 33.43 O ATOM 1577 OD2 ASP A 105 38.881 3.651 -14.559 1.00 33.66 O ATOM 0 H ASP A 105 41.148 1.000 -11.321 1.00 32.44 H new ATOM 0 HA ASP A 105 38.508 0.752 -12.196 1.00 33.10 H new ATOM 0 HB2 ASP A 105 39.775 2.866 -11.647 1.00 32.92 H new ATOM 0 HB3 ASP A 105 40.684 2.674 -13.133 1.00 32.92 H new ATOM 1582 N ASP A 106 40.746 0.378 -14.598 1.00 34.21 N ATOM 1583 CA ASP A 106 40.936 -0.175 -15.934 1.00 34.91 C ATOM 1584 C ASP A 106 40.789 -1.685 -15.888 1.00 35.10 C ATOM 1585 O ASP A 106 39.773 -2.250 -16.299 1.00 35.16 O ATOM 1586 CB ASP A 106 42.328 0.177 -16.477 1.00 35.27 C ATOM 1587 CG ASP A 106 42.704 1.622 -16.237 1.00 35.62 C ATOM 1588 OD1 ASP A 106 42.259 2.494 -17.008 1.00 35.68 O ATOM 1589 OD2 ASP A 106 43.450 1.886 -15.267 1.00 35.89 O ATOM 0 H ASP A 106 41.593 0.755 -14.173 1.00 34.21 H new ATOM 0 HA ASP A 106 40.181 0.254 -16.592 1.00 34.91 H new ATOM 0 HB2 ASP A 106 43.070 -0.469 -16.008 1.00 35.27 H new ATOM 0 HB3 ASP A 106 42.358 -0.028 -17.547 1.00 35.27 H new ATOM 1594 N LEU A 107 41.819 -2.322 -15.360 1.00 35.27 N ATOM 1595 CA LEU A 107 41.862 -3.764 -15.198 1.00 35.52 C ATOM 1596 C LEU A 107 42.642 -4.084 -13.936 1.00 35.58 C ATOM 1597 O LEU A 107 42.123 -4.693 -13.006 1.00 35.79 O ATOM 1598 CB LEU A 107 42.541 -4.422 -16.404 1.00 36.22 C ATOM 1599 CG LEU A 107 41.793 -4.298 -17.728 1.00 36.57 C ATOM 1600 CD1 LEU A 107 42.668 -4.772 -18.874 1.00 36.81 C ATOM 1601 CD2 LEU A 107 40.499 -5.093 -17.681 1.00 36.78 C ATOM 0 H LEU A 107 42.658 -1.847 -15.028 1.00 35.27 H new ATOM 0 HA LEU A 107 40.846 -4.151 -15.125 1.00 35.52 H new ATOM 0 HB2 LEU A 107 43.532 -3.984 -16.524 1.00 36.22 H new ATOM 0 HB3 LEU A 107 42.684 -5.480 -16.185 1.00 36.22 H new ATOM 0 HG LEU A 107 41.547 -3.249 -17.892 1.00 36.57 H new ATOM 0 HD11 LEU A 107 42.121 -4.678 -19.812 1.00 36.81 H new ATOM 0 HD12 LEU A 107 43.571 -4.164 -18.918 1.00 36.81 H new ATOM 0 HD13 LEU A 107 42.941 -5.815 -18.716 1.00 36.81 H new ATOM 0 HD21 LEU A 107 39.977 -4.995 -18.633 1.00 36.78 H new ATOM 0 HD22 LEU A 107 40.724 -6.144 -17.497 1.00 36.78 H new ATOM 0 HD23 LEU A 107 39.867 -4.712 -16.879 1.00 36.78 H new ATOM 1613 N SER A 108 43.889 -3.647 -13.919 1.00 35.45 N ATOM 1614 CA SER A 108 44.735 -3.774 -12.751 1.00 35.56 C ATOM 1615 C SER A 108 45.188 -2.387 -12.307 1.00 34.99 C ATOM 1616 O SER A 108 44.733 -1.382 -12.859 1.00 35.21 O ATOM 1617 CB SER A 108 45.941 -4.664 -13.073 1.00 35.92 C ATOM 1618 OG SER A 108 45.518 -5.916 -13.594 1.00 36.22 O ATOM 0 H SER A 108 44.341 -3.195 -14.714 1.00 35.45 H new ATOM 0 HA SER A 108 44.176 -4.240 -11.939 1.00 35.56 H new ATOM 0 HB2 SER A 108 46.586 -4.163 -13.795 1.00 35.92 H new ATOM 0 HB3 SER A 108 46.534 -4.821 -12.172 1.00 35.92 H new ATOM 0 HG SER A 108 46.302 -6.469 -13.795 1.00 36.22 H new ATOM 1624 N VAL A 109 46.065 -2.329 -11.320 1.00 34.34 N ATOM 1625 CA VAL A 109 46.613 -1.068 -10.852 1.00 33.84 C ATOM 1626 C VAL A 109 48.052 -1.273 -10.393 1.00 33.57 C ATOM 1627 O VAL A 109 48.946 -0.593 -10.928 1.00 33.71 O ATOM 1628 CB VAL A 109 45.759 -0.444 -9.715 1.00 33.11 C ATOM 1629 CG1 VAL A 109 45.589 -1.406 -8.547 1.00 32.97 C ATOM 1630 CG2 VAL A 109 46.362 0.876 -9.252 1.00 33.19 C ATOM 1631 OXT VAL A 109 48.284 -2.157 -9.540 1.00 33.28 O ATOM 0 H VAL A 109 46.415 -3.148 -10.823 1.00 34.34 H new ATOM 0 HA VAL A 109 46.593 -0.365 -11.684 1.00 33.84 H new ATOM 0 HB VAL A 109 44.766 -0.245 -10.118 1.00 33.11 H new ATOM 0 HG11 VAL A 109 44.986 -0.934 -7.771 1.00 32.97 H new ATOM 0 HG12 VAL A 109 45.092 -2.313 -8.892 1.00 32.97 H new ATOM 0 HG13 VAL A 109 46.568 -1.661 -8.140 1.00 32.97 H new ATOM 0 HG21 VAL A 109 45.749 1.297 -8.455 1.00 33.19 H new ATOM 0 HG22 VAL A 109 47.372 0.704 -8.880 1.00 33.19 H new ATOM 0 HG23 VAL A 109 46.397 1.573 -10.089 1.00 33.19 H new TER 1641 VAL A 109