USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1052 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 79 SER OG : rot 80:sc= -1.09 USER MOD Set 1.2: A 116 LYS NZ :NH3+ -120:sc= -3.22! (180deg=-6.05!) USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc= 0.0581 USER MOD Set 2.2: A 71 ASN : amide:sc= -8.96! C(o=-8.9!,f=-12!) USER MOD Set 3.1: A 53 TYR OH : rot 54:sc= 2.18 USER MOD Set 3.2: A 111 HIS : no HE2:sc= -0.25 K(o=1.9,f=-7.9!) USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0837 (180deg=0) USER MOD Single : A 5 SER OG : rot -98:sc= 1.12 USER MOD Single : A 7 SER OG : rot 55:sc= 0.267 USER MOD Single : A 9 MET CE :methyl -157:sc= -0.198 (180deg=-0.78) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 110:sc= 1.22 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 148:sc= 1.6 (180deg=1.12) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 100:sc= 1.25 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.033 X(o=-0.033,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -137:sc= 1.27 (180deg=-0.272) USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= -0.861! (180deg=-2.2!) USER MOD Single : A 74 LYS NZ :NH3+ 171:sc=-9.71e-05 (180deg=-0.0811) USER MOD Single : A 76 MET CE :methyl 176:sc= -0.68 (180deg=-0.715) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= 0.919 (180deg=0.271) USER MOD Single : A 80 LYS NZ :NH3+ 167:sc= 0.00651 (180deg=-0.179) USER MOD Single : A 83 ASN : amide:sc= -1.3! K(o=-1.3!,f=-0.032) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 88 LYS NZ :NH3+ 146:sc= 0.504 (180deg=-0.66!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -160:sc= 1.18 (180deg=0.932) USER MOD Single : A 110 ASN : amide:sc= 0.637 K(o=0.64,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -110:sc= 1.2 (180deg=-0.0852!) USER MOD Single : A 120 HIS : no HE2:sc= -0.207 K(o=-0.21,f=-1.3) USER MOD Single : A 129 HIS : no HD1:sc= -2.18! C(o=-2.2!,f=-4.7!) USER MOD Single : A 134 SER OG : rot 180:sc= 0.00304 USER MOD Single : A 135 LYS NZ :NH3+ 173:sc= 2.16 (180deg=1.95) USER MOD Single : A 138 HIS : no HD1:sc= -0.3 K(o=-0.3,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.767 -13.742 -32.916 1.00 42.19 N ATOM 2 CA GLY A 1 -10.860 -12.330 -33.359 1.00 42.07 C ATOM 3 C GLY A 1 -11.473 -11.444 -32.299 1.00 41.76 C ATOM 4 O GLY A 1 -11.635 -11.873 -31.155 1.00 41.66 O ATOM 0 H1 GLY A 1 -9.768 -14.027 -32.873 1.00 42.19 H new ATOM 0 H2 GLY A 1 -11.195 -13.839 -31.973 1.00 42.19 H new ATOM 0 H3 GLY A 1 -11.272 -14.351 -33.590 1.00 42.19 H new ATOM 0 HA2 GLY A 1 -9.865 -11.962 -33.608 1.00 42.07 H new ATOM 0 HA3 GLY A 1 -11.458 -12.274 -34.269 1.00 42.07 H new ATOM 10 N PRO A 2 -11.820 -10.190 -32.643 1.00 41.67 N ATOM 11 CA PRO A 2 -12.410 -9.240 -31.693 1.00 41.44 C ATOM 12 C PRO A 2 -13.788 -9.683 -31.208 1.00 41.34 C ATOM 13 O PRO A 2 -14.238 -9.291 -30.129 1.00 40.87 O ATOM 14 CB PRO A 2 -12.515 -7.934 -32.493 1.00 41.46 C ATOM 15 CG PRO A 2 -11.630 -8.124 -33.678 1.00 41.65 C ATOM 16 CD PRO A 2 -11.650 -9.593 -33.977 1.00 41.84 C ATOM 0 HA PRO A 2 -11.806 -9.148 -30.790 1.00 41.44 H new ATOM 0 HB2 PRO A 2 -13.544 -7.741 -32.798 1.00 41.46 H new ATOM 0 HB3 PRO A 2 -12.194 -7.080 -31.896 1.00 41.46 H new ATOM 0 HG2 PRO A 2 -11.990 -7.547 -34.530 1.00 41.65 H new ATOM 0 HG3 PRO A 2 -10.617 -7.782 -33.467 1.00 41.65 H new ATOM 0 HD2 PRO A 2 -12.467 -9.859 -34.647 1.00 41.84 H new ATOM 0 HD3 PRO A 2 -10.727 -9.922 -34.454 1.00 41.84 H new ATOM 24 N LEU A 3 -14.447 -10.509 -32.007 1.00 41.84 N ATOM 25 CA LEU A 3 -15.749 -11.046 -31.645 1.00 41.87 C ATOM 26 C LEU A 3 -15.564 -12.236 -30.714 1.00 41.68 C ATOM 27 O LEU A 3 -14.728 -13.104 -30.961 1.00 41.95 O ATOM 28 CB LEU A 3 -16.548 -11.458 -32.896 1.00 42.57 C ATOM 29 CG LEU A 3 -16.935 -10.329 -33.862 1.00 43.04 C ATOM 30 CD1 LEU A 3 -17.536 -9.161 -33.100 1.00 43.15 C ATOM 31 CD2 LEU A 3 -15.743 -9.891 -34.705 1.00 43.41 C ATOM 0 H LEU A 3 -14.099 -10.822 -32.913 1.00 41.84 H new ATOM 0 HA LEU A 3 -16.318 -10.270 -31.132 1.00 41.87 H new ATOM 0 HB2 LEU A 3 -15.963 -12.194 -33.448 1.00 42.57 H new ATOM 0 HB3 LEU A 3 -17.461 -11.956 -32.569 1.00 42.57 H new ATOM 0 HG LEU A 3 -17.692 -10.710 -34.547 1.00 43.04 H new ATOM 0 HD11 LEU A 3 -17.805 -8.370 -33.800 1.00 43.15 H new ATOM 0 HD12 LEU A 3 -18.428 -9.494 -32.568 1.00 43.15 H new ATOM 0 HD13 LEU A 3 -16.808 -8.780 -32.384 1.00 43.15 H new ATOM 0 HD21 LEU A 3 -16.048 -9.091 -35.379 1.00 43.41 H new ATOM 0 HD22 LEU A 3 -14.948 -9.532 -34.052 1.00 43.41 H new ATOM 0 HD23 LEU A 3 -15.379 -10.737 -35.288 1.00 43.41 H new ATOM 43 N GLY A 4 -16.339 -12.267 -29.640 1.00 41.27 N ATOM 44 CA GLY A 4 -16.182 -13.312 -28.652 1.00 41.12 C ATOM 45 C GLY A 4 -14.971 -13.073 -27.773 1.00 40.49 C ATOM 46 O GLY A 4 -14.348 -14.017 -27.290 1.00 40.38 O ATOM 0 H GLY A 4 -17.072 -11.588 -29.436 1.00 41.27 H new ATOM 0 HA2 GLY A 4 -17.077 -13.365 -28.032 1.00 41.12 H new ATOM 0 HA3 GLY A 4 -16.084 -14.275 -29.153 1.00 41.12 H new ATOM 50 N SER A 5 -14.628 -11.805 -27.582 1.00 40.15 N ATOM 51 CA SER A 5 -13.482 -11.437 -26.769 1.00 39.60 C ATOM 52 C SER A 5 -13.814 -11.562 -25.284 1.00 38.96 C ATOM 53 O SER A 5 -14.993 -11.607 -24.901 1.00 38.91 O ATOM 54 CB SER A 5 -13.047 -10.011 -27.110 1.00 39.66 C ATOM 55 OG SER A 5 -14.174 -9.185 -27.345 1.00 39.71 O ATOM 0 H SER A 5 -15.131 -11.013 -27.982 1.00 40.15 H new ATOM 0 HA SER A 5 -12.659 -12.118 -26.986 1.00 39.60 H new ATOM 0 HB2 SER A 5 -12.454 -9.601 -26.292 1.00 39.66 H new ATOM 0 HB3 SER A 5 -12.408 -10.022 -27.993 1.00 39.66 H new ATOM 0 HG SER A 5 -14.334 -9.117 -28.309 1.00 39.71 H new ATOM 61 N GLU A 6 -12.772 -11.622 -24.455 1.00 38.55 N ATOM 62 CA GLU A 6 -12.926 -11.782 -23.012 1.00 37.99 C ATOM 63 C GLU A 6 -13.824 -10.699 -22.435 1.00 37.51 C ATOM 64 O GLU A 6 -13.515 -9.510 -22.513 1.00 37.44 O ATOM 65 CB GLU A 6 -11.559 -11.753 -22.331 1.00 37.87 C ATOM 66 CG GLU A 6 -10.578 -12.753 -22.919 1.00 38.27 C ATOM 67 CD GLU A 6 -9.268 -12.800 -22.170 1.00 38.50 C ATOM 68 OE1 GLU A 6 -9.190 -13.499 -21.140 1.00 38.56 O ATOM 69 OE2 GLU A 6 -8.313 -12.120 -22.596 1.00 38.67 O ATOM 0 H GLU A 6 -11.802 -11.561 -24.765 1.00 38.55 H new ATOM 0 HA GLU A 6 -13.397 -12.747 -22.825 1.00 37.99 H new ATOM 0 HB2 GLU A 6 -11.140 -10.750 -22.414 1.00 37.87 H new ATOM 0 HB3 GLU A 6 -11.685 -11.959 -21.268 1.00 37.87 H new ATOM 0 HG2 GLU A 6 -11.030 -13.745 -22.913 1.00 38.27 H new ATOM 0 HG3 GLU A 6 -10.386 -12.497 -23.961 1.00 38.27 H new ATOM 76 N SER A 7 -14.936 -11.119 -21.863 1.00 37.24 N ATOM 77 CA SER A 7 -15.908 -10.192 -21.323 1.00 36.83 C ATOM 78 C SER A 7 -15.955 -10.295 -19.803 1.00 36.34 C ATOM 79 O SER A 7 -16.229 -11.363 -19.251 1.00 36.22 O ATOM 80 CB SER A 7 -17.286 -10.472 -21.921 1.00 36.87 C ATOM 81 OG SER A 7 -17.253 -10.350 -23.333 1.00 36.87 O ATOM 0 H SER A 7 -15.188 -12.102 -21.761 1.00 37.24 H new ATOM 0 HA SER A 7 -15.611 -9.177 -21.588 1.00 36.83 H new ATOM 0 HB2 SER A 7 -17.611 -11.475 -21.645 1.00 36.87 H new ATOM 0 HB3 SER A 7 -18.016 -9.776 -21.508 1.00 36.87 H new ATOM 0 HG SER A 7 -16.557 -10.937 -23.696 1.00 36.87 H new ATOM 87 N LEU A 8 -15.655 -9.189 -19.138 1.00 36.13 N ATOM 88 CA LEU A 8 -15.709 -9.128 -17.685 1.00 35.73 C ATOM 89 C LEU A 8 -16.998 -8.438 -17.239 1.00 35.30 C ATOM 90 O LEU A 8 -17.478 -7.517 -17.901 1.00 35.28 O ATOM 91 CB LEU A 8 -14.487 -8.385 -17.128 1.00 35.83 C ATOM 92 CG LEU A 8 -14.388 -8.346 -15.603 1.00 36.15 C ATOM 93 CD1 LEU A 8 -14.293 -9.753 -15.029 1.00 36.22 C ATOM 94 CD2 LEU A 8 -13.190 -7.513 -15.173 1.00 36.32 C ATOM 0 H LEU A 8 -15.370 -8.317 -19.585 1.00 36.13 H new ATOM 0 HA LEU A 8 -15.698 -10.145 -17.294 1.00 35.73 H new ATOM 0 HB2 LEU A 8 -13.586 -8.854 -17.523 1.00 35.83 H new ATOM 0 HB3 LEU A 8 -14.503 -7.361 -17.501 1.00 35.83 H new ATOM 0 HG LEU A 8 -15.294 -7.882 -15.213 1.00 36.15 H new ATOM 0 HD11 LEU A 8 -14.224 -9.699 -13.943 1.00 36.22 H new ATOM 0 HD12 LEU A 8 -15.181 -10.320 -15.308 1.00 36.22 H new ATOM 0 HD13 LEU A 8 -13.407 -10.248 -15.425 1.00 36.22 H new ATOM 0 HD21 LEU A 8 -13.132 -7.494 -14.085 1.00 36.32 H new ATOM 0 HD22 LEU A 8 -12.278 -7.952 -15.577 1.00 36.32 H new ATOM 0 HD23 LEU A 8 -13.301 -6.496 -15.548 1.00 36.32 H new ATOM 106 N MET A 9 -17.559 -8.899 -16.129 1.00 35.03 N ATOM 107 CA MET A 9 -18.786 -8.321 -15.590 1.00 34.68 C ATOM 108 C MET A 9 -18.521 -6.931 -15.009 1.00 34.45 C ATOM 109 O MET A 9 -17.389 -6.623 -14.617 1.00 34.50 O ATOM 110 CB MET A 9 -19.386 -9.251 -14.527 1.00 34.61 C ATOM 111 CG MET A 9 -19.928 -10.552 -15.097 1.00 34.75 C ATOM 112 SD MET A 9 -20.427 -11.716 -13.817 1.00 34.63 S ATOM 113 CE MET A 9 -18.845 -12.080 -13.056 1.00 34.81 C ATOM 0 H MET A 9 -17.184 -9.674 -15.582 1.00 35.03 H new ATOM 0 HA MET A 9 -19.505 -8.213 -16.402 1.00 34.68 H new ATOM 0 HB2 MET A 9 -18.623 -9.479 -13.783 1.00 34.61 H new ATOM 0 HB3 MET A 9 -20.190 -8.727 -14.009 1.00 34.61 H new ATOM 0 HG2 MET A 9 -20.782 -10.335 -15.738 1.00 34.75 H new ATOM 0 HG3 MET A 9 -19.167 -11.014 -15.726 1.00 34.75 H new ATOM 0 HE1 MET A 9 -18.898 -13.044 -12.550 1.00 34.81 H new ATOM 0 HE2 MET A 9 -18.072 -12.115 -13.823 1.00 34.81 H new ATOM 0 HE3 MET A 9 -18.603 -11.303 -12.331 1.00 34.81 H new ATOM 123 N PRO A 10 -19.552 -6.064 -14.984 1.00 34.29 N ATOM 124 CA PRO A 10 -19.429 -4.689 -14.481 1.00 34.15 C ATOM 125 C PRO A 10 -18.961 -4.625 -13.029 1.00 34.01 C ATOM 126 O PRO A 10 -19.051 -5.604 -12.284 1.00 34.16 O ATOM 127 CB PRO A 10 -20.850 -4.129 -14.601 1.00 34.05 C ATOM 128 CG PRO A 10 -21.512 -4.979 -15.629 1.00 34.20 C ATOM 129 CD PRO A 10 -20.917 -6.347 -15.464 1.00 34.31 C ATOM 0 HA PRO A 10 -18.682 -4.129 -15.043 1.00 34.15 H new ATOM 0 HB2 PRO A 10 -21.376 -4.180 -13.648 1.00 34.05 H new ATOM 0 HB3 PRO A 10 -20.838 -3.082 -14.903 1.00 34.05 H new ATOM 0 HG2 PRO A 10 -22.592 -5.001 -15.483 1.00 34.20 H new ATOM 0 HG3 PRO A 10 -21.333 -4.592 -16.632 1.00 34.20 H new ATOM 0 HD2 PRO A 10 -21.479 -6.947 -14.749 1.00 34.31 H new ATOM 0 HD3 PRO A 10 -20.907 -6.898 -16.404 1.00 34.31 H new ATOM 137 N SER A 11 -18.485 -3.459 -12.631 1.00 33.80 N ATOM 138 CA SER A 11 -17.985 -3.252 -11.288 1.00 33.74 C ATOM 139 C SER A 11 -19.048 -2.559 -10.441 1.00 33.54 C ATOM 140 O SER A 11 -19.282 -1.358 -10.585 1.00 33.25 O ATOM 141 CB SER A 11 -16.701 -2.417 -11.333 1.00 33.66 C ATOM 142 OG SER A 11 -16.149 -2.241 -10.039 1.00 33.75 O ATOM 0 H SER A 11 -18.435 -2.634 -13.228 1.00 33.80 H new ATOM 0 HA SER A 11 -17.755 -4.217 -10.835 1.00 33.74 H new ATOM 0 HB2 SER A 11 -15.971 -2.906 -11.978 1.00 33.66 H new ATOM 0 HB3 SER A 11 -16.914 -1.443 -11.774 1.00 33.66 H new ATOM 0 HG SER A 11 -15.331 -1.706 -10.103 1.00 33.75 H new ATOM 148 N GLN A 12 -19.709 -3.324 -9.581 1.00 33.76 N ATOM 149 CA GLN A 12 -20.746 -2.781 -8.714 1.00 33.69 C ATOM 150 C GLN A 12 -20.145 -1.965 -7.576 1.00 33.80 C ATOM 151 O GLN A 12 -18.933 -1.967 -7.368 1.00 34.18 O ATOM 152 CB GLN A 12 -21.625 -3.897 -8.140 1.00 33.91 C ATOM 153 CG GLN A 12 -22.558 -4.533 -9.159 1.00 34.14 C ATOM 154 CD GLN A 12 -23.561 -5.471 -8.514 1.00 34.39 C ATOM 155 OE1 GLN A 12 -23.328 -6.674 -8.399 1.00 34.47 O ATOM 156 NE2 GLN A 12 -24.682 -4.918 -8.081 1.00 34.58 N ATOM 0 H GLN A 12 -19.545 -4.324 -9.466 1.00 33.76 H new ATOM 0 HA GLN A 12 -21.365 -2.124 -9.325 1.00 33.69 H new ATOM 0 HB2 GLN A 12 -20.983 -4.670 -7.717 1.00 33.91 H new ATOM 0 HB3 GLN A 12 -22.219 -3.493 -7.321 1.00 33.91 H new ATOM 0 HG2 GLN A 12 -23.091 -3.750 -9.699 1.00 34.14 H new ATOM 0 HG3 GLN A 12 -21.970 -5.083 -9.894 1.00 34.14 H new ATOM 0 HE21 GLN A 12 -24.834 -3.916 -8.197 1.00 34.58 H new ATOM 0 HE22 GLN A 12 -25.394 -5.494 -7.631 1.00 34.58 H new ATOM 165 N VAL A 13 -21.005 -1.267 -6.845 1.00 33.54 N ATOM 166 CA VAL A 13 -20.567 -0.432 -5.737 1.00 33.70 C ATOM 167 C VAL A 13 -20.295 -1.286 -4.499 1.00 33.82 C ATOM 168 O VAL A 13 -21.207 -1.910 -3.953 1.00 33.61 O ATOM 169 CB VAL A 13 -21.618 0.644 -5.394 1.00 33.45 C ATOM 170 CG1 VAL A 13 -21.081 1.611 -4.345 1.00 33.54 C ATOM 171 CG2 VAL A 13 -22.048 1.391 -6.651 1.00 33.20 C ATOM 0 H VAL A 13 -22.013 -1.264 -7.001 1.00 33.54 H new ATOM 0 HA VAL A 13 -19.648 0.065 -6.046 1.00 33.70 H new ATOM 0 HB VAL A 13 -22.493 0.147 -4.976 1.00 33.45 H new ATOM 0 HG11 VAL A 13 -21.839 2.361 -4.119 1.00 33.54 H new ATOM 0 HG12 VAL A 13 -20.832 1.062 -3.437 1.00 33.54 H new ATOM 0 HG13 VAL A 13 -20.187 2.103 -4.728 1.00 33.54 H new ATOM 0 HG21 VAL A 13 -22.790 2.146 -6.390 1.00 33.20 H new ATOM 0 HG22 VAL A 13 -21.181 1.874 -7.101 1.00 33.20 H new ATOM 0 HG23 VAL A 13 -22.481 0.688 -7.362 1.00 33.20 H new ATOM 181 N VAL A 14 -19.045 -1.310 -4.065 1.00 34.23 N ATOM 182 CA VAL A 14 -18.648 -2.110 -2.917 1.00 34.47 C ATOM 183 C VAL A 14 -18.022 -1.232 -1.836 1.00 34.64 C ATOM 184 O VAL A 14 -17.308 -0.273 -2.135 1.00 34.98 O ATOM 185 CB VAL A 14 -17.655 -3.231 -3.327 1.00 34.94 C ATOM 186 CG1 VAL A 14 -16.421 -2.643 -4.000 1.00 35.10 C ATOM 187 CG2 VAL A 14 -17.265 -4.075 -2.121 1.00 35.04 C ATOM 0 H VAL A 14 -18.284 -0.782 -4.493 1.00 34.23 H new ATOM 0 HA VAL A 14 -19.548 -2.577 -2.517 1.00 34.47 H new ATOM 0 HB VAL A 14 -18.155 -3.880 -4.047 1.00 34.94 H new ATOM 0 HG11 VAL A 14 -15.740 -3.447 -4.278 1.00 35.10 H new ATOM 0 HG12 VAL A 14 -16.720 -2.095 -4.894 1.00 35.10 H new ATOM 0 HG13 VAL A 14 -15.919 -1.965 -3.310 1.00 35.10 H new ATOM 0 HG21 VAL A 14 -16.569 -4.854 -2.432 1.00 35.04 H new ATOM 0 HG22 VAL A 14 -16.790 -3.442 -1.372 1.00 35.04 H new ATOM 0 HG23 VAL A 14 -18.157 -4.534 -1.695 1.00 35.04 H new ATOM 197 N LYS A 15 -18.320 -1.544 -0.580 1.00 34.47 N ATOM 198 CA LYS A 15 -17.693 -0.868 0.545 1.00 34.70 C ATOM 199 C LYS A 15 -17.605 -1.822 1.732 1.00 35.14 C ATOM 200 O LYS A 15 -18.580 -2.013 2.460 1.00 35.00 O ATOM 201 CB LYS A 15 -18.473 0.397 0.928 1.00 34.32 C ATOM 202 CG LYS A 15 -17.686 1.352 1.813 1.00 34.20 C ATOM 203 CD LYS A 15 -16.475 1.899 1.082 1.00 33.99 C ATOM 204 CE LYS A 15 -15.687 2.875 1.938 1.00 34.16 C ATOM 205 NZ LYS A 15 -14.546 3.461 1.188 1.00 34.21 N ATOM 0 H LYS A 15 -18.994 -2.263 -0.317 1.00 34.47 H new ATOM 0 HA LYS A 15 -16.687 -0.565 0.255 1.00 34.70 H new ATOM 0 HB2 LYS A 15 -18.771 0.919 0.019 1.00 34.32 H new ATOM 0 HB3 LYS A 15 -19.388 0.107 1.444 1.00 34.32 H new ATOM 0 HG2 LYS A 15 -18.328 2.175 2.127 1.00 34.20 H new ATOM 0 HG3 LYS A 15 -17.366 0.835 2.718 1.00 34.20 H new ATOM 0 HD2 LYS A 15 -15.828 1.074 0.784 1.00 33.99 H new ATOM 0 HD3 LYS A 15 -16.798 2.397 0.168 1.00 33.99 H new ATOM 0 HE2 LYS A 15 -16.346 3.673 2.282 1.00 34.16 H new ATOM 0 HE3 LYS A 15 -15.315 2.364 2.826 1.00 34.16 H new ATOM 0 HZ1 LYS A 15 -14.030 4.123 1.802 1.00 34.21 H new ATOM 0 HZ2 LYS A 15 -13.905 2.701 0.882 1.00 34.21 H new ATOM 0 HZ3 LYS A 15 -14.903 3.970 0.354 1.00 34.21 H new ATOM 219 N GLY A 16 -16.448 -2.445 1.894 1.00 35.76 N ATOM 220 CA GLY A 16 -16.265 -3.415 2.955 1.00 36.30 C ATOM 221 C GLY A 16 -15.354 -2.909 4.055 1.00 36.44 C ATOM 222 O GLY A 16 -14.436 -2.128 3.791 1.00 36.61 O ATOM 0 H GLY A 16 -15.628 -2.296 1.306 1.00 35.76 H new ATOM 0 HA2 GLY A 16 -17.236 -3.670 3.381 1.00 36.30 H new ATOM 0 HA3 GLY A 16 -15.849 -4.332 2.537 1.00 36.30 H new ATOM 226 N GLY A 17 -15.616 -3.332 5.286 1.00 36.42 N ATOM 227 CA GLY A 17 -14.767 -2.955 6.401 1.00 36.64 C ATOM 228 C GLY A 17 -15.206 -1.665 7.062 1.00 36.05 C ATOM 229 O GLY A 17 -14.523 -1.149 7.948 1.00 36.21 O ATOM 0 H GLY A 17 -16.404 -3.931 5.533 1.00 36.42 H new ATOM 0 HA2 GLY A 17 -14.769 -3.756 7.140 1.00 36.64 H new ATOM 0 HA3 GLY A 17 -13.741 -2.847 6.050 1.00 36.64 H new ATOM 233 N ALA A 18 -16.350 -1.145 6.639 1.00 35.42 N ATOM 234 CA ALA A 18 -16.858 0.110 7.170 1.00 34.89 C ATOM 235 C ALA A 18 -17.586 -0.105 8.492 1.00 34.61 C ATOM 236 O ALA A 18 -18.787 -0.378 8.518 1.00 34.46 O ATOM 237 CB ALA A 18 -17.778 0.783 6.165 1.00 34.46 C ATOM 0 H ALA A 18 -16.943 -1.574 5.929 1.00 35.42 H new ATOM 0 HA ALA A 18 -16.005 0.763 7.355 1.00 34.89 H new ATOM 0 HB1 ALA A 18 -18.148 1.720 6.581 1.00 34.46 H new ATOM 0 HB2 ALA A 18 -17.227 0.986 5.246 1.00 34.46 H new ATOM 0 HB3 ALA A 18 -18.620 0.126 5.946 1.00 34.46 H new ATOM 243 N PHE A 19 -16.844 -0.011 9.584 1.00 34.63 N ATOM 244 CA PHE A 19 -17.421 -0.129 10.914 1.00 34.46 C ATOM 245 C PHE A 19 -17.181 1.141 11.717 1.00 33.97 C ATOM 246 O PHE A 19 -16.037 1.568 11.889 1.00 33.93 O ATOM 247 CB PHE A 19 -16.835 -1.333 11.662 1.00 34.87 C ATOM 248 CG PHE A 19 -17.231 -2.667 11.088 1.00 35.13 C ATOM 249 CD1 PHE A 19 -18.411 -3.287 11.473 1.00 35.12 C ATOM 250 CD2 PHE A 19 -16.418 -3.298 10.163 1.00 35.46 C ATOM 251 CE1 PHE A 19 -18.771 -4.514 10.942 1.00 35.44 C ATOM 252 CE2 PHE A 19 -16.771 -4.522 9.630 1.00 35.77 C ATOM 253 CZ PHE A 19 -17.974 -5.130 10.040 1.00 35.77 C ATOM 0 H PHE A 19 -15.836 0.147 9.575 1.00 34.63 H new ATOM 0 HA PHE A 19 -18.494 -0.279 10.798 1.00 34.46 H new ATOM 0 HB2 PHE A 19 -15.748 -1.256 11.657 1.00 34.87 H new ATOM 0 HB3 PHE A 19 -17.153 -1.289 12.704 1.00 34.87 H new ATOM 0 HD1 PHE A 19 -19.056 -2.807 12.195 1.00 35.12 H new ATOM 0 HD2 PHE A 19 -15.496 -2.828 9.854 1.00 35.46 H new ATOM 0 HE1 PHE A 19 -19.694 -4.982 11.250 1.00 35.44 H new ATOM 0 HE2 PHE A 19 -16.132 -5.008 8.907 1.00 35.77 H new ATOM 0 HZ PHE A 19 -18.260 -6.089 9.633 1.00 35.77 H new ATOM 263 N ASP A 20 -18.256 1.750 12.192 1.00 33.67 N ATOM 264 CA ASP A 20 -18.149 2.912 13.060 1.00 33.27 C ATOM 265 C ASP A 20 -18.703 2.577 14.436 1.00 33.26 C ATOM 266 O ASP A 20 -19.668 1.822 14.559 1.00 33.32 O ATOM 267 CB ASP A 20 -18.882 4.129 12.469 1.00 32.91 C ATOM 268 CG ASP A 20 -20.389 3.964 12.418 1.00 32.70 C ATOM 269 OD1 ASP A 20 -20.893 3.385 11.430 1.00 32.45 O ATOM 270 OD2 ASP A 20 -21.071 4.381 13.380 1.00 32.86 O ATOM 0 H ASP A 20 -19.213 1.459 11.991 1.00 33.67 H new ATOM 0 HA ASP A 20 -17.095 3.175 13.148 1.00 33.27 H new ATOM 0 HB2 ASP A 20 -18.641 5.011 13.062 1.00 32.91 H new ATOM 0 HB3 ASP A 20 -18.511 4.312 11.461 1.00 32.91 H new ATOM 275 N GLY A 21 -18.081 3.123 15.466 1.00 33.27 N ATOM 276 CA GLY A 21 -18.505 2.835 16.820 1.00 33.35 C ATOM 277 C GLY A 21 -19.421 3.908 17.356 1.00 32.96 C ATOM 278 O GLY A 21 -19.057 4.648 18.267 1.00 32.93 O ATOM 0 H GLY A 21 -17.289 3.761 15.390 1.00 33.27 H new ATOM 0 HA2 GLY A 21 -19.017 1.873 16.845 1.00 33.35 H new ATOM 0 HA3 GLY A 21 -17.631 2.747 17.465 1.00 33.35 H new ATOM 282 N THR A 22 -20.606 4.008 16.779 1.00 32.73 N ATOM 283 CA THR A 22 -21.577 4.996 17.213 1.00 32.43 C ATOM 284 C THR A 22 -22.823 4.305 17.749 1.00 32.62 C ATOM 285 O THR A 22 -23.635 3.790 16.979 1.00 32.89 O ATOM 286 CB THR A 22 -21.976 5.930 16.056 1.00 32.23 C ATOM 287 OG1 THR A 22 -20.821 6.252 15.268 1.00 32.26 O ATOM 288 CG2 THR A 22 -22.602 7.209 16.588 1.00 32.08 C ATOM 0 H THR A 22 -20.919 3.417 16.009 1.00 32.73 H new ATOM 0 HA THR A 22 -21.116 5.592 18.001 1.00 32.43 H new ATOM 0 HB THR A 22 -22.709 5.414 15.436 1.00 32.23 H new ATOM 0 HG1 THR A 22 -20.886 5.810 14.396 1.00 32.26 H new ATOM 0 HG21 THR A 22 -22.876 7.854 15.753 1.00 32.08 H new ATOM 0 HG22 THR A 22 -23.493 6.965 17.166 1.00 32.08 H new ATOM 0 HG23 THR A 22 -21.886 7.726 17.226 1.00 32.08 H new ATOM 296 N MET A 23 -22.973 4.279 19.065 1.00 32.58 N ATOM 297 CA MET A 23 -24.106 3.606 19.680 1.00 32.83 C ATOM 298 C MET A 23 -24.751 4.484 20.747 1.00 32.76 C ATOM 299 O MET A 23 -24.182 4.721 21.814 1.00 32.54 O ATOM 300 CB MET A 23 -23.697 2.247 20.265 1.00 33.02 C ATOM 301 CG MET A 23 -22.549 2.310 21.256 1.00 33.05 C ATOM 302 SD MET A 23 -22.138 0.695 21.935 1.00 33.43 S ATOM 303 CE MET A 23 -20.758 1.154 22.971 1.00 33.50 C ATOM 0 H MET A 23 -22.328 4.714 19.724 1.00 32.58 H new ATOM 0 HA MET A 23 -24.845 3.424 18.899 1.00 32.83 H new ATOM 0 HB2 MET A 23 -24.562 1.802 20.757 1.00 33.02 H new ATOM 0 HB3 MET A 23 -23.419 1.582 19.447 1.00 33.02 H new ATOM 0 HG2 MET A 23 -21.671 2.728 20.764 1.00 33.05 H new ATOM 0 HG3 MET A 23 -22.812 2.987 22.069 1.00 33.05 H new ATOM 0 HE1 MET A 23 -20.372 0.269 23.476 1.00 33.50 H new ATOM 0 HE2 MET A 23 -19.972 1.594 22.357 1.00 33.50 H new ATOM 0 HE3 MET A 23 -21.087 1.881 23.714 1.00 33.50 H new ATOM 313 N ASN A 24 -25.938 4.983 20.435 1.00 33.04 N ATOM 314 CA ASN A 24 -26.694 5.810 21.365 1.00 33.09 C ATOM 315 C ASN A 24 -28.061 5.194 21.613 1.00 33.28 C ATOM 316 O ASN A 24 -28.883 5.094 20.700 1.00 33.55 O ATOM 317 CB ASN A 24 -26.838 7.237 20.818 1.00 33.42 C ATOM 318 CG ASN A 24 -25.521 7.993 20.827 1.00 33.67 C ATOM 319 OD1 ASN A 24 -24.733 7.905 19.887 1.00 33.88 O ATOM 320 ND2 ASN A 24 -25.281 8.751 21.884 1.00 33.72 N ATOM 0 H ASN A 24 -26.401 4.828 19.539 1.00 33.04 H new ATOM 0 HA ASN A 24 -26.155 5.860 22.311 1.00 33.09 H new ATOM 0 HB2 ASN A 24 -27.224 7.196 19.799 1.00 33.42 H new ATOM 0 HB3 ASN A 24 -27.570 7.780 21.415 1.00 33.42 H new ATOM 0 HD21 ASN A 24 -24.417 9.290 21.940 1.00 33.72 H new ATOM 0 HD22 ASN A 24 -25.960 8.797 22.643 1.00 33.72 H new ATOM 327 N GLY A 25 -28.288 4.748 22.843 1.00 33.20 N ATOM 328 CA GLY A 25 -29.542 4.105 23.184 1.00 33.45 C ATOM 329 C GLY A 25 -29.402 2.655 23.664 1.00 33.20 C ATOM 330 O GLY A 25 -30.196 2.225 24.499 1.00 33.41 O ATOM 0 H GLY A 25 -27.623 4.821 23.613 1.00 33.20 H new ATOM 0 HA2 GLY A 25 -30.034 4.687 23.963 1.00 33.45 H new ATOM 0 HA3 GLY A 25 -30.195 4.124 22.311 1.00 33.45 H new ATOM 334 N PRO A 26 -28.417 1.852 23.179 1.00 32.82 N ATOM 335 CA PRO A 26 -28.190 0.510 23.719 1.00 32.65 C ATOM 336 C PRO A 26 -27.512 0.549 25.085 1.00 32.53 C ATOM 337 O PRO A 26 -26.322 0.851 25.192 1.00 32.48 O ATOM 338 CB PRO A 26 -27.268 -0.165 22.689 1.00 32.38 C ATOM 339 CG PRO A 26 -27.234 0.756 21.514 1.00 32.41 C ATOM 340 CD PRO A 26 -27.511 2.124 22.055 1.00 32.65 C ATOM 0 HA PRO A 26 -29.129 -0.022 23.870 1.00 32.65 H new ATOM 0 HB2 PRO A 26 -26.269 -0.316 23.097 1.00 32.38 H new ATOM 0 HB3 PRO A 26 -27.649 -1.147 22.406 1.00 32.38 H new ATOM 0 HG2 PRO A 26 -26.264 0.721 21.019 1.00 32.41 H new ATOM 0 HG3 PRO A 26 -27.981 0.471 20.773 1.00 32.41 H new ATOM 0 HD2 PRO A 26 -26.598 2.622 22.382 1.00 32.65 H new ATOM 0 HD3 PRO A 26 -27.975 2.768 21.308 1.00 32.65 H new ATOM 348 N PHE A 27 -28.274 0.247 26.128 1.00 32.56 N ATOM 349 CA PHE A 27 -27.741 0.219 27.487 1.00 32.53 C ATOM 350 C PHE A 27 -27.155 -1.153 27.802 1.00 31.97 C ATOM 351 O PHE A 27 -27.442 -1.745 28.841 1.00 31.89 O ATOM 352 CB PHE A 27 -28.831 0.575 28.503 1.00 33.05 C ATOM 353 CG PHE A 27 -29.299 1.998 28.412 1.00 33.43 C ATOM 354 CD1 PHE A 27 -28.568 3.018 28.992 1.00 33.44 C ATOM 355 CD2 PHE A 27 -30.470 2.314 27.741 1.00 33.85 C ATOM 356 CE1 PHE A 27 -28.991 4.330 28.906 1.00 33.87 C ATOM 357 CE2 PHE A 27 -30.900 3.623 27.651 1.00 34.28 C ATOM 358 CZ PHE A 27 -30.170 4.630 28.251 1.00 34.29 C ATOM 0 H PHE A 27 -29.265 0.017 26.060 1.00 32.56 H new ATOM 0 HA PHE A 27 -26.947 0.963 27.557 1.00 32.53 H new ATOM 0 HB2 PHE A 27 -29.683 -0.089 28.356 1.00 33.05 H new ATOM 0 HB3 PHE A 27 -28.453 0.390 29.508 1.00 33.05 H new ATOM 0 HD1 PHE A 27 -27.654 2.786 29.519 1.00 33.44 H new ATOM 0 HD2 PHE A 27 -31.052 1.528 27.284 1.00 33.85 H new ATOM 0 HE1 PHE A 27 -28.402 5.119 29.349 1.00 33.87 H new ATOM 0 HE2 PHE A 27 -31.806 3.859 27.112 1.00 34.28 H new ATOM 0 HZ PHE A 27 -30.520 5.651 28.208 1.00 34.29 H new ATOM 368 N GLY A 28 -26.327 -1.641 26.894 1.00 31.66 N ATOM 369 CA GLY A 28 -25.712 -2.940 27.060 1.00 31.19 C ATOM 370 C GLY A 28 -24.933 -3.353 25.831 1.00 30.74 C ATOM 371 O GLY A 28 -25.502 -3.494 24.748 1.00 30.73 O ATOM 0 H GLY A 28 -26.067 -1.155 26.036 1.00 31.66 H new ATOM 0 HA2 GLY A 28 -25.046 -2.919 27.923 1.00 31.19 H new ATOM 0 HA3 GLY A 28 -26.482 -3.683 27.269 1.00 31.19 H new ATOM 375 N HIS A 29 -23.631 -3.526 25.985 1.00 30.45 N ATOM 376 CA HIS A 29 -22.795 -3.942 24.876 1.00 30.07 C ATOM 377 C HIS A 29 -22.431 -5.410 25.020 1.00 29.27 C ATOM 378 O HIS A 29 -21.851 -5.820 26.028 1.00 29.10 O ATOM 379 CB HIS A 29 -21.525 -3.085 24.813 1.00 30.43 C ATOM 380 CG HIS A 29 -20.674 -3.346 23.603 1.00 30.70 C ATOM 381 ND1 HIS A 29 -19.527 -4.110 23.632 1.00 31.08 N ATOM 382 CD2 HIS A 29 -20.812 -2.929 22.321 1.00 30.74 C ATOM 383 CE1 HIS A 29 -18.999 -4.151 22.423 1.00 31.33 C ATOM 384 NE2 HIS A 29 -19.757 -3.444 21.610 1.00 31.13 N ATOM 0 H HIS A 29 -23.133 -3.385 26.864 1.00 30.45 H new ATOM 0 HA HIS A 29 -23.351 -3.806 23.949 1.00 30.07 H new ATOM 0 HB2 HIS A 29 -21.808 -2.032 24.826 1.00 30.43 H new ATOM 0 HB3 HIS A 29 -20.931 -3.267 25.709 1.00 30.43 H new ATOM 0 HD2 HIS A 29 -21.604 -2.307 21.931 1.00 30.74 H new ATOM 0 HE1 HIS A 29 -18.097 -4.676 22.147 1.00 31.33 H new ATOM 0 HE2 HIS A 29 -19.587 -3.302 20.614 1.00 31.13 H new ATOM 393 N GLY A 30 -22.764 -6.199 24.013 1.00 28.86 N ATOM 394 CA GLY A 30 -22.440 -7.606 24.043 1.00 28.15 C ATOM 395 C GLY A 30 -22.831 -8.289 22.759 1.00 27.47 C ATOM 396 O GLY A 30 -23.983 -8.664 22.575 1.00 27.72 O ATOM 0 H GLY A 30 -23.254 -5.889 23.174 1.00 28.86 H new ATOM 0 HA2 GLY A 30 -21.370 -7.731 24.212 1.00 28.15 H new ATOM 0 HA3 GLY A 30 -22.952 -8.081 24.880 1.00 28.15 H new ATOM 400 N TYR A 31 -21.876 -8.433 21.861 1.00 26.68 N ATOM 401 CA TYR A 31 -22.137 -9.062 20.580 1.00 26.02 C ATOM 402 C TYR A 31 -21.099 -10.130 20.274 1.00 25.11 C ATOM 403 O TYR A 31 -19.917 -9.979 20.602 1.00 24.84 O ATOM 404 CB TYR A 31 -22.154 -8.024 19.454 1.00 25.83 C ATOM 405 CG TYR A 31 -23.353 -7.105 19.482 1.00 26.21 C ATOM 406 CD1 TYR A 31 -24.594 -7.544 19.044 1.00 26.01 C ATOM 407 CD2 TYR A 31 -23.239 -5.797 19.937 1.00 26.88 C ATOM 408 CE1 TYR A 31 -25.692 -6.707 19.062 1.00 26.46 C ATOM 409 CE2 TYR A 31 -24.332 -4.954 19.957 1.00 27.32 C ATOM 410 CZ TYR A 31 -25.555 -5.414 19.516 1.00 27.12 C ATOM 411 OH TYR A 31 -26.646 -4.578 19.528 1.00 27.66 O ATOM 0 H TYR A 31 -20.913 -8.124 21.994 1.00 26.68 H new ATOM 0 HA TYR A 31 -23.118 -9.533 20.642 1.00 26.02 H new ATOM 0 HB2 TYR A 31 -21.247 -7.423 19.515 1.00 25.83 H new ATOM 0 HB3 TYR A 31 -22.129 -8.543 18.496 1.00 25.83 H new ATOM 0 HD1 TYR A 31 -24.703 -8.556 18.683 1.00 26.01 H new ATOM 0 HD2 TYR A 31 -22.281 -5.435 20.280 1.00 26.88 H new ATOM 0 HE1 TYR A 31 -26.653 -7.064 18.722 1.00 26.46 H new ATOM 0 HE2 TYR A 31 -24.230 -3.940 20.316 1.00 27.32 H new ATOM 0 HH TYR A 31 -26.382 -3.701 19.878 1.00 27.66 H new ATOM 421 N GLY A 32 -21.556 -11.215 19.664 1.00 24.74 N ATOM 422 CA GLY A 32 -20.647 -12.238 19.196 1.00 23.92 C ATOM 423 C GLY A 32 -19.954 -11.810 17.923 1.00 22.78 C ATOM 424 O GLY A 32 -20.532 -11.876 16.837 1.00 22.44 O ATOM 0 H GLY A 32 -22.542 -11.404 19.485 1.00 24.74 H new ATOM 0 HA2 GLY A 32 -19.904 -12.448 19.965 1.00 23.92 H new ATOM 0 HA3 GLY A 32 -21.195 -13.164 19.022 1.00 23.92 H new ATOM 428 N GLU A 33 -18.728 -11.333 18.065 1.00 22.28 N ATOM 429 CA GLU A 33 -17.960 -10.859 16.939 1.00 21.23 C ATOM 430 C GLU A 33 -17.495 -12.038 16.096 1.00 20.26 C ATOM 431 O GLU A 33 -16.760 -12.906 16.575 1.00 20.30 O ATOM 432 CB GLU A 33 -16.778 -10.038 17.452 1.00 21.19 C ATOM 433 CG GLU A 33 -15.797 -9.641 16.375 1.00 21.44 C ATOM 434 CD GLU A 33 -14.673 -8.778 16.902 1.00 21.69 C ATOM 435 OE1 GLU A 33 -14.893 -7.566 17.107 1.00 22.32 O ATOM 436 OE2 GLU A 33 -13.565 -9.306 17.128 1.00 21.36 O ATOM 0 H GLU A 33 -18.245 -11.266 18.961 1.00 22.28 H new ATOM 0 HA GLU A 33 -18.576 -10.221 16.305 1.00 21.23 H new ATOM 0 HB2 GLU A 33 -17.156 -9.137 17.936 1.00 21.19 H new ATOM 0 HB3 GLU A 33 -16.253 -10.613 18.215 1.00 21.19 H new ATOM 0 HG2 GLU A 33 -15.378 -10.539 15.921 1.00 21.44 H new ATOM 0 HG3 GLU A 33 -16.325 -9.103 15.588 1.00 21.44 H new ATOM 443 N GLY A 34 -17.942 -12.067 14.851 1.00 19.49 N ATOM 444 CA GLY A 34 -17.625 -13.171 13.975 1.00 18.59 C ATOM 445 C GLY A 34 -16.349 -12.944 13.193 1.00 17.66 C ATOM 446 O GLY A 34 -16.097 -11.840 12.713 1.00 17.26 O ATOM 0 H GLY A 34 -18.522 -11.341 14.431 1.00 19.49 H new ATOM 0 HA2 GLY A 34 -17.528 -14.082 14.565 1.00 18.59 H new ATOM 0 HA3 GLY A 34 -18.450 -13.327 13.280 1.00 18.59 H new ATOM 450 N ALA A 35 -15.541 -13.987 13.070 1.00 17.42 N ATOM 451 CA ALA A 35 -14.309 -13.908 12.305 1.00 16.65 C ATOM 452 C ALA A 35 -14.617 -13.851 10.814 1.00 15.41 C ATOM 453 O ALA A 35 -15.522 -14.536 10.328 1.00 15.13 O ATOM 454 CB ALA A 35 -13.414 -15.095 12.618 1.00 17.01 C ATOM 0 H ALA A 35 -15.718 -14.899 13.492 1.00 17.42 H new ATOM 0 HA ALA A 35 -13.782 -12.996 12.586 1.00 16.65 H new ATOM 0 HB1 ALA A 35 -12.495 -15.021 12.037 1.00 17.01 H new ATOM 0 HB2 ALA A 35 -13.172 -15.098 13.681 1.00 17.01 H new ATOM 0 HB3 ALA A 35 -13.932 -16.019 12.361 1.00 17.01 H new ATOM 460 N GLY A 36 -13.874 -13.023 10.096 1.00 14.76 N ATOM 461 CA GLY A 36 -14.079 -12.883 8.674 1.00 13.60 C ATOM 462 C GLY A 36 -12.938 -13.476 7.887 1.00 12.94 C ATOM 463 O GLY A 36 -11.770 -13.242 8.206 1.00 13.05 O ATOM 0 H GLY A 36 -13.128 -12.442 10.478 1.00 14.76 H new ATOM 0 HA2 GLY A 36 -15.011 -13.373 8.390 1.00 13.60 H new ATOM 0 HA3 GLY A 36 -14.185 -11.827 8.423 1.00 13.60 H new ATOM 467 N GLU A 37 -13.273 -14.246 6.868 1.00 12.42 N ATOM 468 CA GLU A 37 -12.271 -14.855 6.012 1.00 11.86 C ATOM 469 C GLU A 37 -11.920 -13.895 4.877 1.00 10.71 C ATOM 470 O GLU A 37 -12.563 -12.851 4.715 1.00 10.32 O ATOM 471 CB GLU A 37 -12.789 -16.197 5.476 1.00 12.01 C ATOM 472 CG GLU A 37 -11.735 -17.029 4.766 1.00 12.07 C ATOM 473 CD GLU A 37 -12.256 -18.376 4.329 1.00 12.51 C ATOM 474 OE1 GLU A 37 -13.114 -18.420 3.428 1.00 13.02 O ATOM 475 OE2 GLU A 37 -11.820 -19.396 4.898 1.00 12.50 O ATOM 0 H GLU A 37 -14.236 -14.465 6.612 1.00 12.42 H new ATOM 0 HA GLU A 37 -11.364 -15.053 6.583 1.00 11.86 H new ATOM 0 HB2 GLU A 37 -13.195 -16.775 6.306 1.00 12.01 H new ATOM 0 HB3 GLU A 37 -13.612 -16.008 4.787 1.00 12.01 H new ATOM 0 HG2 GLU A 37 -11.373 -16.483 3.894 1.00 12.07 H new ATOM 0 HG3 GLU A 37 -10.882 -17.171 5.430 1.00 12.07 H new ATOM 482 N GLY A 38 -10.908 -14.244 4.093 1.00 10.28 N ATOM 483 CA GLY A 38 -10.445 -13.360 3.049 1.00 9.25 C ATOM 484 C GLY A 38 -11.329 -13.408 1.837 1.00 8.49 C ATOM 485 O GLY A 38 -11.115 -14.208 0.928 1.00 8.21 O ATOM 0 H GLY A 38 -10.401 -15.126 4.164 1.00 10.28 H new ATOM 0 HA2 GLY A 38 -10.407 -12.339 3.429 1.00 9.25 H new ATOM 0 HA3 GLY A 38 -9.428 -13.634 2.767 1.00 9.25 H new ATOM 489 N ILE A 39 -12.354 -12.582 1.849 1.00 8.38 N ATOM 490 CA ILE A 39 -13.144 -12.366 0.661 1.00 7.80 C ATOM 491 C ILE A 39 -12.299 -11.619 -0.360 1.00 6.77 C ATOM 492 O ILE A 39 -11.396 -10.862 0.014 1.00 6.49 O ATOM 493 CB ILE A 39 -14.464 -11.592 0.941 1.00 8.21 C ATOM 494 CG1 ILE A 39 -14.388 -10.742 2.226 1.00 8.58 C ATOM 495 CG2 ILE A 39 -15.631 -12.564 1.027 1.00 9.12 C ATOM 496 CD1 ILE A 39 -13.347 -9.639 2.198 1.00 8.87 C ATOM 0 H ILE A 39 -12.657 -12.052 2.666 1.00 8.38 H new ATOM 0 HA ILE A 39 -13.440 -13.341 0.275 1.00 7.80 H new ATOM 0 HB ILE A 39 -14.617 -10.905 0.109 1.00 8.21 H new ATOM 0 HG12 ILE A 39 -15.366 -10.295 2.408 1.00 8.58 H new ATOM 0 HG13 ILE A 39 -14.177 -11.400 3.069 1.00 8.58 H new ATOM 0 HG21 ILE A 39 -16.550 -12.012 1.223 1.00 9.12 H new ATOM 0 HG22 ILE A 39 -15.726 -13.103 0.084 1.00 9.12 H new ATOM 0 HG23 ILE A 39 -15.454 -13.274 1.835 1.00 9.12 H new ATOM 0 HD11 ILE A 39 -13.367 -9.096 3.143 1.00 8.87 H new ATOM 0 HD12 ILE A 39 -12.359 -10.075 2.051 1.00 8.87 H new ATOM 0 HD13 ILE A 39 -13.566 -8.953 1.380 1.00 8.87 H new ATOM 508 N ASP A 40 -12.552 -11.847 -1.637 1.00 6.37 N ATOM 509 CA ASP A 40 -11.751 -11.210 -2.674 1.00 5.59 C ATOM 510 C ASP A 40 -12.146 -9.758 -2.848 1.00 5.10 C ATOM 511 O ASP A 40 -12.802 -9.382 -3.823 1.00 5.12 O ATOM 512 CB ASP A 40 -11.857 -11.965 -4.002 1.00 5.75 C ATOM 513 CG ASP A 40 -10.945 -13.173 -4.049 1.00 6.02 C ATOM 514 OD1 ASP A 40 -9.745 -13.000 -4.365 1.00 6.06 O ATOM 515 OD2 ASP A 40 -11.418 -14.298 -3.776 1.00 6.52 O ATOM 0 H ASP A 40 -13.293 -12.458 -1.980 1.00 6.37 H new ATOM 0 HA ASP A 40 -10.710 -11.243 -2.354 1.00 5.59 H new ATOM 0 HB2 ASP A 40 -12.888 -12.284 -4.155 1.00 5.75 H new ATOM 0 HB3 ASP A 40 -11.607 -11.291 -4.822 1.00 5.75 H new ATOM 520 N ASP A 41 -11.758 -8.949 -1.873 1.00 4.99 N ATOM 521 CA ASP A 41 -11.999 -7.515 -1.908 1.00 4.67 C ATOM 522 C ASP A 41 -10.735 -6.778 -1.497 1.00 3.91 C ATOM 523 O ASP A 41 -10.451 -6.624 -0.310 1.00 4.07 O ATOM 524 CB ASP A 41 -13.152 -7.130 -0.973 1.00 5.45 C ATOM 525 CG ASP A 41 -14.491 -7.680 -1.421 1.00 5.83 C ATOM 526 OD1 ASP A 41 -15.160 -7.037 -2.258 1.00 5.98 O ATOM 527 OD2 ASP A 41 -14.881 -8.769 -0.956 1.00 6.31 O ATOM 0 H ASP A 41 -11.268 -9.268 -1.037 1.00 4.99 H new ATOM 0 HA ASP A 41 -12.275 -7.234 -2.924 1.00 4.67 H new ATOM 0 HB2 ASP A 41 -12.934 -7.494 0.031 1.00 5.45 H new ATOM 0 HB3 ASP A 41 -13.215 -6.044 -0.912 1.00 5.45 H new ATOM 532 N VAL A 42 -9.957 -6.354 -2.482 1.00 3.33 N ATOM 533 CA VAL A 42 -8.683 -5.700 -2.212 1.00 2.69 C ATOM 534 C VAL A 42 -8.652 -4.302 -2.820 1.00 2.33 C ATOM 535 O VAL A 42 -8.797 -4.136 -4.030 1.00 2.50 O ATOM 536 CB VAL A 42 -7.498 -6.529 -2.762 1.00 2.75 C ATOM 537 CG1 VAL A 42 -6.163 -5.869 -2.431 1.00 3.11 C ATOM 538 CG2 VAL A 42 -7.546 -7.954 -2.224 1.00 3.00 C ATOM 0 H VAL A 42 -10.183 -6.450 -3.472 1.00 3.33 H new ATOM 0 HA VAL A 42 -8.582 -5.622 -1.130 1.00 2.69 H new ATOM 0 HB VAL A 42 -7.589 -6.568 -3.847 1.00 2.75 H new ATOM 0 HG11 VAL A 42 -5.349 -6.474 -2.830 1.00 3.11 H new ATOM 0 HG12 VAL A 42 -6.128 -4.875 -2.877 1.00 3.11 H new ATOM 0 HG13 VAL A 42 -6.057 -5.786 -1.349 1.00 3.11 H new ATOM 0 HG21 VAL A 42 -6.705 -8.522 -2.622 1.00 3.00 H new ATOM 0 HG22 VAL A 42 -7.488 -7.934 -1.136 1.00 3.00 H new ATOM 0 HG23 VAL A 42 -8.479 -8.427 -2.529 1.00 3.00 H new ATOM 548 N GLU A 43 -8.473 -3.299 -1.972 1.00 2.18 N ATOM 549 CA GLU A 43 -8.432 -1.919 -2.428 1.00 2.01 C ATOM 550 C GLU A 43 -7.104 -1.260 -2.060 1.00 1.64 C ATOM 551 O GLU A 43 -6.924 -0.794 -0.932 1.00 1.85 O ATOM 552 CB GLU A 43 -9.590 -1.115 -1.826 1.00 2.56 C ATOM 553 CG GLU A 43 -9.593 0.349 -2.237 1.00 2.76 C ATOM 554 CD GLU A 43 -10.597 1.168 -1.457 1.00 3.45 C ATOM 555 OE1 GLU A 43 -10.456 1.280 -0.223 1.00 3.94 O ATOM 556 OE2 GLU A 43 -11.553 1.683 -2.076 1.00 3.83 O ATOM 0 H GLU A 43 -8.354 -3.416 -0.966 1.00 2.18 H new ATOM 0 HA GLU A 43 -8.530 -1.927 -3.514 1.00 2.01 H new ATOM 0 HB2 GLU A 43 -10.533 -1.570 -2.128 1.00 2.56 H new ATOM 0 HB3 GLU A 43 -9.539 -1.178 -0.739 1.00 2.56 H new ATOM 0 HG2 GLU A 43 -8.597 0.766 -2.090 1.00 2.76 H new ATOM 0 HG3 GLU A 43 -9.817 0.424 -3.301 1.00 2.76 H new ATOM 563 N TRP A 44 -6.157 -1.272 -2.993 1.00 1.25 N ATOM 564 CA TRP A 44 -4.932 -0.503 -2.835 1.00 0.97 C ATOM 565 C TRP A 44 -4.724 0.389 -4.048 1.00 0.84 C ATOM 566 O TRP A 44 -4.903 -0.035 -5.190 1.00 0.86 O ATOM 567 CB TRP A 44 -3.705 -1.398 -2.630 1.00 0.87 C ATOM 568 CG TRP A 44 -2.508 -0.647 -2.109 1.00 0.83 C ATOM 569 CD1 TRP A 44 -2.442 0.675 -1.791 1.00 1.24 C ATOM 570 CD2 TRP A 44 -1.210 -1.179 -1.851 1.00 0.68 C ATOM 571 NE1 TRP A 44 -1.187 0.990 -1.339 1.00 1.33 N ATOM 572 CE2 TRP A 44 -0.408 -0.136 -1.383 1.00 0.88 C ATOM 573 CE3 TRP A 44 -0.651 -2.436 -1.978 1.00 0.82 C ATOM 574 CZ2 TRP A 44 0.928 -0.320 -1.042 1.00 0.80 C ATOM 575 CZ3 TRP A 44 0.675 -2.618 -1.643 1.00 0.84 C ATOM 576 CH2 TRP A 44 1.455 -1.552 -1.185 1.00 0.60 C ATOM 0 H TRP A 44 -6.216 -1.804 -3.862 1.00 1.25 H new ATOM 0 HA TRP A 44 -5.043 0.107 -1.938 1.00 0.97 H new ATOM 0 HB2 TRP A 44 -3.957 -2.197 -1.933 1.00 0.87 H new ATOM 0 HB3 TRP A 44 -3.446 -1.872 -3.577 1.00 0.87 H new ATOM 0 HD1 TRP A 44 -3.260 1.374 -1.882 1.00 1.24 H new ATOM 0 HE1 TRP A 44 -0.883 1.911 -1.022 1.00 1.33 H new ATOM 0 HE3 TRP A 44 -1.244 -3.265 -2.335 1.00 0.82 H new ATOM 0 HZ2 TRP A 44 1.526 0.501 -0.673 1.00 0.80 H new ATOM 0 HZ3 TRP A 44 1.117 -3.599 -1.736 1.00 0.84 H new ATOM 0 HH2 TRP A 44 2.494 -1.718 -0.942 1.00 0.60 H new ATOM 587 N VAL A 45 -4.326 1.617 -3.784 1.00 0.83 N ATOM 588 CA VAL A 45 -4.088 2.603 -4.823 1.00 0.83 C ATOM 589 C VAL A 45 -2.731 2.371 -5.504 1.00 0.65 C ATOM 590 O VAL A 45 -2.385 3.047 -6.467 1.00 0.73 O ATOM 591 CB VAL A 45 -4.132 4.030 -4.229 1.00 1.00 C ATOM 592 CG1 VAL A 45 -4.209 5.086 -5.326 1.00 1.21 C ATOM 593 CG2 VAL A 45 -5.299 4.176 -3.259 1.00 1.20 C ATOM 0 H VAL A 45 -4.157 1.962 -2.839 1.00 0.83 H new ATOM 0 HA VAL A 45 -4.875 2.497 -5.570 1.00 0.83 H new ATOM 0 HB VAL A 45 -3.205 4.188 -3.679 1.00 1.00 H new ATOM 0 HG11 VAL A 45 -4.239 6.078 -4.875 1.00 1.21 H new ATOM 0 HG12 VAL A 45 -3.333 5.006 -5.970 1.00 1.21 H new ATOM 0 HG13 VAL A 45 -5.110 4.930 -5.919 1.00 1.21 H new ATOM 0 HG21 VAL A 45 -5.311 5.188 -2.853 1.00 1.20 H new ATOM 0 HG22 VAL A 45 -6.235 3.985 -3.784 1.00 1.20 H new ATOM 0 HG23 VAL A 45 -5.187 3.460 -2.445 1.00 1.20 H new ATOM 603 N VAL A 46 -1.956 1.410 -5.012 1.00 0.48 N ATOM 604 CA VAL A 46 -0.637 1.157 -5.587 1.00 0.34 C ATOM 605 C VAL A 46 -0.699 0.148 -6.727 1.00 0.33 C ATOM 606 O VAL A 46 0.168 0.132 -7.588 1.00 0.40 O ATOM 607 CB VAL A 46 0.394 0.718 -4.505 1.00 0.33 C ATOM 608 CG1 VAL A 46 1.740 0.370 -5.099 1.00 0.66 C ATOM 609 CG2 VAL A 46 0.599 1.827 -3.514 1.00 0.53 C ATOM 0 H VAL A 46 -2.210 0.804 -4.232 1.00 0.48 H new ATOM 0 HA VAL A 46 -0.291 2.103 -6.004 1.00 0.34 H new ATOM 0 HB VAL A 46 -0.016 -0.170 -4.025 1.00 0.33 H new ATOM 0 HG11 VAL A 46 2.422 0.071 -4.303 1.00 0.66 H new ATOM 0 HG12 VAL A 46 1.624 -0.451 -5.806 1.00 0.66 H new ATOM 0 HG13 VAL A 46 2.145 1.240 -5.616 1.00 0.66 H new ATOM 0 HG21 VAL A 46 1.321 1.513 -2.760 1.00 0.53 H new ATOM 0 HG22 VAL A 46 0.974 2.711 -4.030 1.00 0.53 H new ATOM 0 HG23 VAL A 46 -0.349 2.064 -3.031 1.00 0.53 H new ATOM 619 N GLY A 47 -1.757 -0.644 -6.784 1.00 0.42 N ATOM 620 CA GLY A 47 -1.891 -1.584 -7.882 1.00 0.54 C ATOM 621 C GLY A 47 -2.092 -0.886 -9.214 1.00 0.56 C ATOM 622 O GLY A 47 -2.005 -1.505 -10.274 1.00 0.72 O ATOM 0 H GLY A 47 -2.516 -0.656 -6.103 1.00 0.42 H new ATOM 0 HA2 GLY A 47 -1.000 -2.210 -7.933 1.00 0.54 H new ATOM 0 HA3 GLY A 47 -2.735 -2.246 -7.690 1.00 0.54 H new ATOM 626 N LYS A 48 -2.353 0.414 -9.152 1.00 0.49 N ATOM 627 CA LYS A 48 -2.547 1.215 -10.346 1.00 0.60 C ATOM 628 C LYS A 48 -1.388 2.182 -10.591 1.00 0.54 C ATOM 629 O LYS A 48 -1.110 2.549 -11.731 1.00 0.67 O ATOM 630 CB LYS A 48 -3.838 2.011 -10.231 1.00 0.76 C ATOM 631 CG LYS A 48 -4.014 2.747 -8.914 1.00 0.94 C ATOM 632 CD LYS A 48 -5.308 3.550 -8.898 1.00 1.43 C ATOM 633 CE LYS A 48 -5.283 4.675 -9.922 1.00 2.26 C ATOM 634 NZ LYS A 48 -6.595 5.375 -10.025 1.00 2.97 N ATOM 0 H LYS A 48 -2.435 0.935 -8.279 1.00 0.49 H new ATOM 0 HA LYS A 48 -2.596 0.526 -11.189 1.00 0.60 H new ATOM 0 HB2 LYS A 48 -3.876 2.736 -11.044 1.00 0.76 H new ATOM 0 HB3 LYS A 48 -4.680 1.333 -10.368 1.00 0.76 H new ATOM 0 HG2 LYS A 48 -4.018 2.031 -8.092 1.00 0.94 H new ATOM 0 HG3 LYS A 48 -3.167 3.414 -8.752 1.00 0.94 H new ATOM 0 HD2 LYS A 48 -6.150 2.889 -9.104 1.00 1.43 H new ATOM 0 HD3 LYS A 48 -5.466 3.966 -7.903 1.00 1.43 H new ATOM 0 HE2 LYS A 48 -4.510 5.394 -9.650 1.00 2.26 H new ATOM 0 HE3 LYS A 48 -5.012 4.270 -10.897 1.00 2.26 H new ATOM 0 HZ1 LYS A 48 -6.529 6.133 -10.734 1.00 2.97 H new ATOM 0 HZ2 LYS A 48 -7.329 4.696 -10.311 1.00 2.97 H new ATOM 0 HZ3 LYS A 48 -6.843 5.785 -9.102 1.00 2.97 H new ATOM 648 N ASP A 49 -0.717 2.590 -9.525 1.00 0.45 N ATOM 649 CA ASP A 49 0.315 3.621 -9.624 1.00 0.50 C ATOM 650 C ASP A 49 1.698 3.007 -9.431 1.00 0.40 C ATOM 651 O ASP A 49 2.714 3.699 -9.370 1.00 0.40 O ATOM 652 CB ASP A 49 0.049 4.711 -8.581 1.00 0.68 C ATOM 653 CG ASP A 49 0.749 6.020 -8.896 1.00 1.09 C ATOM 654 OD1 ASP A 49 0.547 6.554 -10.003 1.00 1.83 O ATOM 655 OD2 ASP A 49 1.534 6.497 -8.054 1.00 1.58 O ATOM 0 H ASP A 49 -0.865 2.227 -8.583 1.00 0.45 H new ATOM 0 HA ASP A 49 0.284 4.070 -10.617 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -1.025 4.887 -8.514 1.00 0.68 H new ATOM 0 HB3 ASP A 49 0.376 4.357 -7.603 1.00 0.68 H new ATOM 660 N LYS A 50 1.711 1.682 -9.364 1.00 0.37 N ATOM 661 CA LYS A 50 2.924 0.914 -9.161 1.00 0.35 C ATOM 662 C LYS A 50 3.944 1.109 -10.283 1.00 0.35 C ATOM 663 O LYS A 50 5.129 1.170 -9.994 1.00 0.35 O ATOM 664 CB LYS A 50 2.604 -0.572 -9.037 1.00 0.39 C ATOM 665 CG LYS A 50 3.779 -1.376 -8.538 1.00 0.48 C ATOM 666 CD LYS A 50 3.484 -2.856 -8.543 1.00 0.63 C ATOM 667 CE LYS A 50 4.698 -3.633 -8.090 1.00 0.80 C ATOM 668 NZ LYS A 50 4.435 -5.088 -8.013 1.00 1.13 N ATOM 0 H LYS A 50 0.871 1.109 -9.450 1.00 0.37 H new ATOM 0 HA LYS A 50 3.366 1.284 -8.236 1.00 0.35 H new ATOM 0 HB2 LYS A 50 1.763 -0.704 -8.357 1.00 0.39 H new ATOM 0 HB3 LYS A 50 2.292 -0.955 -10.008 1.00 0.39 H new ATOM 0 HG2 LYS A 50 4.649 -1.176 -9.164 1.00 0.48 H new ATOM 0 HG3 LYS A 50 4.034 -1.059 -7.527 1.00 0.48 H new ATOM 0 HD2 LYS A 50 2.641 -3.068 -7.885 1.00 0.63 H new ATOM 0 HD3 LYS A 50 3.194 -3.173 -9.545 1.00 0.63 H new ATOM 0 HE2 LYS A 50 5.522 -3.451 -8.780 1.00 0.80 H new ATOM 0 HE3 LYS A 50 5.015 -3.271 -7.112 1.00 0.80 H new ATOM 0 HZ1 LYS A 50 5.306 -5.611 -8.238 1.00 1.13 H new ATOM 0 HZ2 LYS A 50 4.122 -5.334 -7.052 1.00 1.13 H new ATOM 0 HZ3 LYS A 50 3.692 -5.343 -8.695 1.00 1.13 H new ATOM 682 N PRO A 51 3.526 1.177 -11.575 1.00 0.39 N ATOM 683 CA PRO A 51 4.448 1.402 -12.696 1.00 0.43 C ATOM 684 C PRO A 51 5.438 2.533 -12.431 1.00 0.37 C ATOM 685 O PRO A 51 6.568 2.492 -12.903 1.00 0.36 O ATOM 686 CB PRO A 51 3.533 1.761 -13.876 1.00 0.56 C ATOM 687 CG PRO A 51 2.147 1.820 -13.322 1.00 0.55 C ATOM 688 CD PRO A 51 2.156 1.001 -12.067 1.00 0.45 C ATOM 0 HA PRO A 51 5.064 0.521 -12.877 1.00 0.43 H new ATOM 0 HB2 PRO A 51 3.819 2.717 -14.314 1.00 0.56 H new ATOM 0 HB3 PRO A 51 3.605 1.014 -14.667 1.00 0.56 H new ATOM 0 HG2 PRO A 51 1.857 2.849 -13.112 1.00 0.55 H new ATOM 0 HG3 PRO A 51 1.426 1.425 -14.038 1.00 0.55 H new ATOM 0 HD2 PRO A 51 1.419 1.356 -11.347 1.00 0.45 H new ATOM 0 HD3 PRO A 51 1.929 -0.046 -12.266 1.00 0.45 H new ATOM 696 N THR A 52 5.016 3.524 -11.652 1.00 0.36 N ATOM 697 CA THR A 52 5.877 4.640 -11.303 1.00 0.36 C ATOM 698 C THR A 52 6.906 4.217 -10.253 1.00 0.29 C ATOM 699 O THR A 52 8.090 4.557 -10.329 1.00 0.32 O ATOM 700 CB THR A 52 5.039 5.823 -10.766 1.00 0.44 C ATOM 701 OG1 THR A 52 4.125 6.277 -11.774 1.00 0.60 O ATOM 702 CG2 THR A 52 5.924 6.974 -10.329 1.00 0.50 C ATOM 0 H THR A 52 4.079 3.573 -11.251 1.00 0.36 H new ATOM 0 HA THR A 52 6.402 4.958 -12.204 1.00 0.36 H new ATOM 0 HB THR A 52 4.482 5.469 -9.898 1.00 0.44 H new ATOM 0 HG1 THR A 52 3.597 7.025 -11.424 1.00 0.60 H new ATOM 0 HG21 THR A 52 5.303 7.789 -9.957 1.00 0.50 H new ATOM 0 HG22 THR A 52 6.594 6.638 -9.538 1.00 0.50 H new ATOM 0 HG23 THR A 52 6.512 7.324 -11.178 1.00 0.50 H new ATOM 710 N TYR A 53 6.465 3.433 -9.295 1.00 0.25 N ATOM 711 CA TYR A 53 7.320 3.067 -8.186 1.00 0.24 C ATOM 712 C TYR A 53 8.269 1.955 -8.589 1.00 0.22 C ATOM 713 O TYR A 53 9.383 1.861 -8.079 1.00 0.24 O ATOM 714 CB TYR A 53 6.475 2.545 -7.047 1.00 0.27 C ATOM 715 CG TYR A 53 5.269 3.381 -6.694 1.00 0.31 C ATOM 716 CD1 TYR A 53 5.332 4.763 -6.599 1.00 0.81 C ATOM 717 CD2 TYR A 53 4.052 2.767 -6.458 1.00 0.64 C ATOM 718 CE1 TYR A 53 4.215 5.506 -6.265 1.00 0.94 C ATOM 719 CE2 TYR A 53 2.934 3.497 -6.122 1.00 0.68 C ATOM 720 CZ TYR A 53 3.018 4.863 -6.030 1.00 0.62 C ATOM 721 OH TYR A 53 1.899 5.595 -5.701 1.00 0.79 O ATOM 0 H TYR A 53 5.525 3.038 -9.260 1.00 0.25 H new ATOM 0 HA TYR A 53 7.882 3.952 -7.888 1.00 0.24 H new ATOM 0 HB2 TYR A 53 6.137 1.540 -7.300 1.00 0.27 H new ATOM 0 HB3 TYR A 53 7.105 2.456 -6.162 1.00 0.27 H new ATOM 0 HD1 TYR A 53 6.268 5.267 -6.789 1.00 0.81 H new ATOM 0 HD2 TYR A 53 3.977 1.693 -6.539 1.00 0.64 H new ATOM 0 HE1 TYR A 53 4.279 6.581 -6.189 1.00 0.94 H new ATOM 0 HE2 TYR A 53 1.996 2.997 -5.932 1.00 0.68 H new ATOM 0 HH TYR A 53 1.751 6.288 -6.378 1.00 0.79 H new ATOM 731 N ASP A 54 7.834 1.143 -9.534 1.00 0.21 N ATOM 732 CA ASP A 54 8.641 0.026 -9.994 1.00 0.23 C ATOM 733 C ASP A 54 9.599 0.485 -11.094 1.00 0.22 C ATOM 734 O ASP A 54 10.684 -0.077 -11.265 1.00 0.23 O ATOM 735 CB ASP A 54 7.738 -1.121 -10.463 1.00 0.31 C ATOM 736 CG ASP A 54 7.584 -1.222 -11.972 1.00 0.58 C ATOM 737 OD1 ASP A 54 8.429 -1.872 -12.612 1.00 1.14 O ATOM 738 OD2 ASP A 54 6.646 -0.608 -12.528 1.00 1.16 O ATOM 0 H ASP A 54 6.930 1.234 -9.997 1.00 0.21 H new ATOM 0 HA ASP A 54 9.245 -0.348 -9.168 1.00 0.23 H new ATOM 0 HB2 ASP A 54 8.141 -2.061 -10.087 1.00 0.31 H new ATOM 0 HB3 ASP A 54 6.751 -0.996 -10.017 1.00 0.31 H new ATOM 743 N GLU A 55 9.215 1.529 -11.834 1.00 0.24 N ATOM 744 CA GLU A 55 10.125 2.115 -12.813 1.00 0.28 C ATOM 745 C GLU A 55 11.299 2.747 -12.092 1.00 0.29 C ATOM 746 O GLU A 55 12.444 2.554 -12.492 1.00 0.35 O ATOM 747 CB GLU A 55 9.427 3.136 -13.733 1.00 0.35 C ATOM 748 CG GLU A 55 8.996 4.424 -13.051 1.00 0.40 C ATOM 749 CD GLU A 55 8.420 5.436 -14.017 1.00 0.88 C ATOM 750 OE1 GLU A 55 9.192 6.203 -14.621 1.00 1.63 O ATOM 751 OE2 GLU A 55 7.180 5.462 -14.174 1.00 1.38 O ATOM 0 H GLU A 55 8.300 1.976 -11.775 1.00 0.24 H new ATOM 0 HA GLU A 55 10.481 1.315 -13.462 1.00 0.28 H new ATOM 0 HB2 GLU A 55 10.101 3.384 -14.553 1.00 0.35 H new ATOM 0 HB3 GLU A 55 8.549 2.664 -14.174 1.00 0.35 H new ATOM 0 HG2 GLU A 55 8.253 4.194 -12.287 1.00 0.40 H new ATOM 0 HG3 GLU A 55 9.853 4.863 -12.540 1.00 0.40 H new ATOM 758 N ILE A 56 11.028 3.460 -10.998 1.00 0.27 N ATOM 759 CA ILE A 56 12.110 4.032 -10.207 1.00 0.30 C ATOM 760 C ILE A 56 12.901 2.909 -9.536 1.00 0.27 C ATOM 761 O ILE A 56 14.114 3.001 -9.375 1.00 0.30 O ATOM 762 CB ILE A 56 11.586 5.023 -9.142 1.00 0.34 C ATOM 763 CG1 ILE A 56 10.689 6.073 -9.801 1.00 0.42 C ATOM 764 CG2 ILE A 56 12.752 5.700 -8.427 1.00 0.36 C ATOM 765 CD1 ILE A 56 9.942 6.946 -8.815 1.00 0.61 C ATOM 0 H ILE A 56 10.089 3.651 -10.648 1.00 0.27 H new ATOM 0 HA ILE A 56 12.759 4.592 -10.880 1.00 0.30 H new ATOM 0 HB ILE A 56 11.002 4.470 -8.406 1.00 0.34 H new ATOM 0 HG12 ILE A 56 11.300 6.707 -10.443 1.00 0.42 H new ATOM 0 HG13 ILE A 56 9.968 5.569 -10.444 1.00 0.42 H new ATOM 0 HG21 ILE A 56 12.367 6.395 -7.680 1.00 0.36 H new ATOM 0 HG22 ILE A 56 13.366 4.945 -7.937 1.00 0.36 H new ATOM 0 HG23 ILE A 56 13.356 6.245 -9.152 1.00 0.36 H new ATOM 0 HD11 ILE A 56 9.328 7.665 -9.358 1.00 0.61 H new ATOM 0 HD12 ILE A 56 9.303 6.323 -8.189 1.00 0.61 H new ATOM 0 HD13 ILE A 56 10.656 7.479 -8.188 1.00 0.61 H new ATOM 777 N PHE A 57 12.193 1.838 -9.191 1.00 0.24 N ATOM 778 CA PHE A 57 12.799 0.634 -8.624 1.00 0.22 C ATOM 779 C PHE A 57 13.904 0.087 -9.533 1.00 0.24 C ATOM 780 O PHE A 57 15.034 -0.127 -9.093 1.00 0.32 O ATOM 781 CB PHE A 57 11.701 -0.413 -8.393 1.00 0.20 C ATOM 782 CG PHE A 57 12.177 -1.755 -7.911 1.00 0.19 C ATOM 783 CD1 PHE A 57 12.650 -1.923 -6.623 1.00 0.83 C ATOM 784 CD2 PHE A 57 12.124 -2.855 -8.751 1.00 0.85 C ATOM 785 CE1 PHE A 57 13.072 -3.165 -6.183 1.00 0.83 C ATOM 786 CE2 PHE A 57 12.538 -4.098 -8.317 1.00 0.88 C ATOM 787 CZ PHE A 57 13.012 -4.253 -7.028 1.00 0.28 C ATOM 0 H PHE A 57 11.180 1.779 -9.296 1.00 0.24 H new ATOM 0 HA PHE A 57 13.267 0.882 -7.671 1.00 0.22 H new ATOM 0 HB2 PHE A 57 10.992 -0.016 -7.666 1.00 0.20 H new ATOM 0 HB3 PHE A 57 11.156 -0.554 -9.326 1.00 0.20 H new ATOM 0 HD1 PHE A 57 12.691 -1.076 -5.954 1.00 0.83 H new ATOM 0 HD2 PHE A 57 11.754 -2.739 -9.759 1.00 0.85 H new ATOM 0 HE1 PHE A 57 13.448 -3.282 -5.178 1.00 0.83 H new ATOM 0 HE2 PHE A 57 12.492 -4.947 -8.983 1.00 0.88 H new ATOM 0 HZ PHE A 57 13.335 -5.224 -6.683 1.00 0.28 H new ATOM 797 N TYR A 58 13.577 -0.128 -10.803 1.00 0.26 N ATOM 798 CA TYR A 58 14.563 -0.611 -11.768 1.00 0.29 C ATOM 799 C TYR A 58 15.543 0.488 -12.155 1.00 0.33 C ATOM 800 O TYR A 58 16.662 0.211 -12.575 1.00 0.37 O ATOM 801 CB TYR A 58 13.881 -1.152 -13.025 1.00 0.33 C ATOM 802 CG TYR A 58 13.196 -2.488 -12.833 1.00 0.34 C ATOM 803 CD1 TYR A 58 13.889 -3.673 -13.039 1.00 1.00 C ATOM 804 CD2 TYR A 58 11.860 -2.567 -12.461 1.00 0.88 C ATOM 805 CE1 TYR A 58 13.274 -4.897 -12.875 1.00 1.03 C ATOM 806 CE2 TYR A 58 11.234 -3.789 -12.298 1.00 0.92 C ATOM 807 CZ TYR A 58 11.944 -4.952 -12.509 1.00 0.50 C ATOM 808 OH TYR A 58 11.324 -6.172 -12.358 1.00 0.61 O ATOM 0 H TYR A 58 12.644 0.023 -11.188 1.00 0.26 H new ATOM 0 HA TYR A 58 15.114 -1.419 -11.287 1.00 0.29 H new ATOM 0 HB2 TYR A 58 13.145 -0.425 -13.367 1.00 0.33 H new ATOM 0 HB3 TYR A 58 14.625 -1.248 -13.816 1.00 0.33 H new ATOM 0 HD1 TYR A 58 14.928 -3.636 -13.333 1.00 1.00 H new ATOM 0 HD2 TYR A 58 11.300 -1.658 -12.296 1.00 0.88 H new ATOM 0 HE1 TYR A 58 13.831 -5.809 -13.032 1.00 1.03 H new ATOM 0 HE2 TYR A 58 10.195 -3.832 -12.007 1.00 0.92 H new ATOM 0 HH TYR A 58 10.390 -6.034 -12.097 1.00 0.61 H new ATOM 818 N THR A 59 15.117 1.733 -11.990 1.00 0.33 N ATOM 819 CA THR A 59 15.957 2.884 -12.288 1.00 0.38 C ATOM 820 C THR A 59 17.139 2.958 -11.320 1.00 0.38 C ATOM 821 O THR A 59 18.250 3.337 -11.705 1.00 0.44 O ATOM 822 CB THR A 59 15.125 4.186 -12.224 1.00 0.40 C ATOM 823 OG1 THR A 59 14.189 4.212 -13.305 1.00 0.44 O ATOM 824 CG2 THR A 59 15.990 5.430 -12.288 1.00 0.44 C ATOM 0 H THR A 59 14.186 1.972 -11.648 1.00 0.33 H new ATOM 0 HA THR A 59 16.350 2.769 -13.298 1.00 0.38 H new ATOM 0 HB THR A 59 14.607 4.190 -11.265 1.00 0.40 H new ATOM 0 HG1 THR A 59 13.304 3.946 -12.978 1.00 0.44 H new ATOM 0 HG21 THR A 59 15.357 6.316 -12.239 1.00 0.44 H new ATOM 0 HG22 THR A 59 16.685 5.434 -11.448 1.00 0.44 H new ATOM 0 HG23 THR A 59 16.551 5.436 -13.223 1.00 0.44 H new ATOM 832 N LEU A 60 16.900 2.566 -10.075 1.00 0.33 N ATOM 833 CA LEU A 60 17.936 2.580 -9.050 1.00 0.35 C ATOM 834 C LEU A 60 18.768 1.302 -9.082 1.00 0.36 C ATOM 835 O LEU A 60 19.747 1.182 -8.350 1.00 0.45 O ATOM 836 CB LEU A 60 17.307 2.754 -7.671 1.00 0.35 C ATOM 837 CG LEU A 60 16.693 4.125 -7.412 1.00 0.49 C ATOM 838 CD1 LEU A 60 16.172 4.192 -5.994 1.00 0.79 C ATOM 839 CD2 LEU A 60 17.715 5.227 -7.657 1.00 0.76 C ATOM 0 H LEU A 60 15.993 2.233 -9.749 1.00 0.33 H new ATOM 0 HA LEU A 60 18.598 3.421 -9.256 1.00 0.35 H new ATOM 0 HB2 LEU A 60 16.534 1.996 -7.542 1.00 0.35 H new ATOM 0 HB3 LEU A 60 18.068 2.565 -6.914 1.00 0.35 H new ATOM 0 HG LEU A 60 15.863 4.275 -8.103 1.00 0.49 H new ATOM 0 HD11 LEU A 60 15.734 5.174 -5.813 1.00 0.79 H new ATOM 0 HD12 LEU A 60 15.413 3.424 -5.849 1.00 0.79 H new ATOM 0 HD13 LEU A 60 16.993 4.027 -5.296 1.00 0.79 H new ATOM 0 HD21 LEU A 60 17.256 6.197 -7.467 1.00 0.76 H new ATOM 0 HD22 LEU A 60 18.565 5.090 -6.989 1.00 0.76 H new ATOM 0 HD23 LEU A 60 18.056 5.184 -8.691 1.00 0.76 H new ATOM 851 N SER A 61 18.370 0.369 -9.946 1.00 0.33 N ATOM 852 CA SER A 61 19.043 -0.923 -10.095 1.00 0.36 C ATOM 853 C SER A 61 18.878 -1.785 -8.839 1.00 0.33 C ATOM 854 O SER A 61 19.622 -1.657 -7.867 1.00 0.37 O ATOM 855 CB SER A 61 20.532 -0.742 -10.435 1.00 0.45 C ATOM 856 OG SER A 61 21.137 -1.985 -10.758 1.00 0.64 O ATOM 0 H SER A 61 17.568 0.487 -10.565 1.00 0.33 H new ATOM 0 HA SER A 61 18.567 -1.442 -10.927 1.00 0.36 H new ATOM 0 HB2 SER A 61 20.636 -0.055 -11.274 1.00 0.45 H new ATOM 0 HB3 SER A 61 21.049 -0.291 -9.588 1.00 0.45 H new ATOM 0 HG SER A 61 22.083 -1.843 -10.972 1.00 0.64 H new ATOM 862 N PRO A 62 17.872 -2.670 -8.847 1.00 0.29 N ATOM 863 CA PRO A 62 17.621 -3.589 -7.746 1.00 0.31 C ATOM 864 C PRO A 62 18.528 -4.814 -7.794 1.00 0.32 C ATOM 865 O PRO A 62 18.765 -5.382 -8.859 1.00 0.46 O ATOM 866 CB PRO A 62 16.165 -4.006 -7.942 1.00 0.37 C ATOM 867 CG PRO A 62 15.823 -3.707 -9.370 1.00 0.36 C ATOM 868 CD PRO A 62 16.906 -2.830 -9.941 1.00 0.29 C ATOM 0 HA PRO A 62 17.817 -3.120 -6.782 1.00 0.31 H new ATOM 0 HB2 PRO A 62 16.033 -5.066 -7.726 1.00 0.37 H new ATOM 0 HB3 PRO A 62 15.510 -3.458 -7.264 1.00 0.37 H new ATOM 0 HG2 PRO A 62 15.741 -4.631 -9.942 1.00 0.36 H new ATOM 0 HG3 PRO A 62 14.857 -3.207 -9.432 1.00 0.36 H new ATOM 0 HD2 PRO A 62 17.369 -3.290 -10.814 1.00 0.29 H new ATOM 0 HD3 PRO A 62 16.508 -1.867 -10.262 1.00 0.29 H new ATOM 876 N VAL A 63 19.020 -5.221 -6.630 1.00 0.33 N ATOM 877 CA VAL A 63 19.880 -6.385 -6.519 1.00 0.42 C ATOM 878 C VAL A 63 19.093 -7.597 -6.044 1.00 0.44 C ATOM 879 O VAL A 63 18.457 -7.567 -4.991 1.00 0.45 O ATOM 880 CB VAL A 63 21.074 -6.131 -5.570 1.00 0.58 C ATOM 881 CG1 VAL A 63 22.066 -5.172 -6.205 1.00 1.33 C ATOM 882 CG2 VAL A 63 20.611 -5.598 -4.218 1.00 1.28 C ATOM 0 H VAL A 63 18.833 -4.754 -5.743 1.00 0.33 H new ATOM 0 HA VAL A 63 20.276 -6.584 -7.515 1.00 0.42 H new ATOM 0 HB VAL A 63 21.569 -7.087 -5.400 1.00 0.58 H new ATOM 0 HG11 VAL A 63 22.899 -5.006 -5.522 1.00 1.33 H new ATOM 0 HG12 VAL A 63 22.439 -5.598 -7.136 1.00 1.33 H new ATOM 0 HG13 VAL A 63 21.572 -4.223 -6.413 1.00 1.33 H new ATOM 0 HG21 VAL A 63 21.477 -5.431 -3.577 1.00 1.28 H new ATOM 0 HG22 VAL A 63 20.078 -4.658 -4.361 1.00 1.28 H new ATOM 0 HG23 VAL A 63 19.947 -6.324 -3.749 1.00 1.28 H new ATOM 892 N ASN A 64 19.118 -8.652 -6.852 1.00 0.54 N ATOM 893 CA ASN A 64 18.466 -9.918 -6.513 1.00 0.63 C ATOM 894 C ASN A 64 16.954 -9.743 -6.378 1.00 0.55 C ATOM 895 O ASN A 64 16.288 -10.526 -5.702 1.00 0.60 O ATOM 896 CB ASN A 64 19.048 -10.500 -5.217 1.00 0.71 C ATOM 897 CG ASN A 64 20.521 -10.847 -5.327 1.00 1.08 C ATOM 898 OD1 ASN A 64 20.881 -11.962 -5.701 1.00 1.42 O ATOM 899 ND2 ASN A 64 21.378 -9.902 -4.978 1.00 1.67 N ATOM 0 H ASN A 64 19.588 -8.657 -7.757 1.00 0.54 H new ATOM 0 HA ASN A 64 18.658 -10.616 -7.328 1.00 0.63 H new ATOM 0 HB2 ASN A 64 18.910 -9.781 -4.409 1.00 0.71 H new ATOM 0 HB3 ASN A 64 18.489 -11.396 -4.946 1.00 0.71 H new ATOM 0 HD21 ASN A 64 22.381 -10.085 -5.013 1.00 1.67 H new ATOM 0 HD22 ASN A 64 21.036 -8.991 -4.674 1.00 1.67 H new ATOM 906 N GLY A 65 16.413 -8.720 -7.030 1.00 0.49 N ATOM 907 CA GLY A 65 14.974 -8.513 -7.035 1.00 0.50 C ATOM 908 C GLY A 65 14.489 -7.569 -5.950 1.00 0.39 C ATOM 909 O GLY A 65 13.296 -7.518 -5.660 1.00 0.49 O ATOM 0 H GLY A 65 16.946 -8.028 -7.557 1.00 0.49 H new ATOM 0 HA2 GLY A 65 14.676 -8.119 -8.007 1.00 0.50 H new ATOM 0 HA3 GLY A 65 14.477 -9.476 -6.915 1.00 0.50 H new ATOM 913 N LYS A 66 15.404 -6.834 -5.337 1.00 0.33 N ATOM 914 CA LYS A 66 15.035 -5.814 -4.359 1.00 0.26 C ATOM 915 C LYS A 66 16.120 -4.759 -4.285 1.00 0.21 C ATOM 916 O LYS A 66 17.281 -5.045 -4.557 1.00 0.27 O ATOM 917 CB LYS A 66 14.803 -6.398 -2.958 1.00 0.30 C ATOM 918 CG LYS A 66 16.012 -7.098 -2.369 1.00 0.75 C ATOM 919 CD LYS A 66 16.186 -8.464 -2.982 1.00 0.61 C ATOM 920 CE LYS A 66 15.187 -9.453 -2.407 1.00 1.21 C ATOM 921 NZ LYS A 66 15.046 -10.656 -3.264 1.00 1.82 N ATOM 0 H LYS A 66 16.407 -6.922 -5.497 1.00 0.33 H new ATOM 0 HA LYS A 66 14.095 -5.375 -4.694 1.00 0.26 H new ATOM 0 HB2 LYS A 66 14.500 -5.594 -2.287 1.00 0.30 H new ATOM 0 HB3 LYS A 66 13.974 -7.105 -3.004 1.00 0.30 H new ATOM 0 HG2 LYS A 66 16.906 -6.499 -2.543 1.00 0.75 H new ATOM 0 HG3 LYS A 66 15.895 -7.190 -1.289 1.00 0.75 H new ATOM 0 HD2 LYS A 66 16.058 -8.400 -4.063 1.00 0.61 H new ATOM 0 HD3 LYS A 66 17.200 -8.820 -2.802 1.00 0.61 H new ATOM 0 HE2 LYS A 66 15.506 -9.753 -1.409 1.00 1.21 H new ATOM 0 HE3 LYS A 66 14.217 -8.968 -2.299 1.00 1.21 H new ATOM 0 HZ1 LYS A 66 14.040 -10.908 -3.346 1.00 1.82 H new ATOM 0 HZ2 LYS A 66 15.431 -10.456 -4.209 1.00 1.82 H new ATOM 0 HZ3 LYS A 66 15.568 -11.449 -2.838 1.00 1.82 H new ATOM 935 N ILE A 67 15.751 -3.544 -3.937 1.00 0.18 N ATOM 936 CA ILE A 67 16.737 -2.499 -3.747 1.00 0.20 C ATOM 937 C ILE A 67 17.381 -2.619 -2.384 1.00 0.19 C ATOM 938 O ILE A 67 16.705 -2.870 -1.382 1.00 0.21 O ATOM 939 CB ILE A 67 16.138 -1.083 -3.889 1.00 0.25 C ATOM 940 CG1 ILE A 67 14.877 -0.953 -3.037 1.00 0.29 C ATOM 941 CG2 ILE A 67 15.839 -0.781 -5.354 1.00 0.41 C ATOM 942 CD1 ILE A 67 14.075 0.302 -3.295 1.00 0.35 C ATOM 0 H ILE A 67 14.785 -3.256 -3.781 1.00 0.18 H new ATOM 0 HA ILE A 67 17.481 -2.634 -4.532 1.00 0.20 H new ATOM 0 HB ILE A 67 16.866 -0.355 -3.532 1.00 0.25 H new ATOM 0 HG12 ILE A 67 14.241 -1.819 -3.217 1.00 0.29 H new ATOM 0 HG13 ILE A 67 15.160 -0.979 -1.985 1.00 0.29 H new ATOM 0 HG21 ILE A 67 15.417 0.220 -5.440 1.00 0.41 H new ATOM 0 HG22 ILE A 67 16.761 -0.837 -5.933 1.00 0.41 H new ATOM 0 HG23 ILE A 67 15.125 -1.510 -5.737 1.00 0.41 H new ATOM 0 HD11 ILE A 67 13.198 0.313 -2.648 1.00 0.35 H new ATOM 0 HD12 ILE A 67 14.691 1.177 -3.086 1.00 0.35 H new ATOM 0 HD13 ILE A 67 13.757 0.323 -4.337 1.00 0.35 H new ATOM 954 N THR A 68 18.690 -2.473 -2.361 1.00 0.24 N ATOM 955 CA THR A 68 19.397 -2.304 -1.120 1.00 0.30 C ATOM 956 C THR A 68 18.866 -1.051 -0.448 1.00 0.36 C ATOM 957 O THR A 68 18.784 0.003 -1.077 1.00 0.70 O ATOM 958 CB THR A 68 20.910 -2.179 -1.363 1.00 0.44 C ATOM 959 OG1 THR A 68 21.141 -1.498 -2.606 1.00 0.65 O ATOM 960 CG2 THR A 68 21.573 -3.547 -1.391 1.00 0.55 C ATOM 0 H THR A 68 19.282 -2.469 -3.192 1.00 0.24 H new ATOM 0 HA THR A 68 19.240 -3.174 -0.483 1.00 0.30 H new ATOM 0 HB THR A 68 21.347 -1.607 -0.544 1.00 0.44 H new ATOM 0 HG1 THR A 68 22.105 -1.417 -2.760 1.00 0.65 H new ATOM 0 HG21 THR A 68 22.643 -3.429 -1.564 1.00 0.55 H new ATOM 0 HG22 THR A 68 21.413 -4.048 -0.436 1.00 0.55 H new ATOM 0 HG23 THR A 68 21.139 -4.145 -2.192 1.00 0.55 H new ATOM 968 N GLY A 69 18.485 -1.172 0.813 1.00 0.29 N ATOM 969 CA GLY A 69 17.763 -0.109 1.484 1.00 0.31 C ATOM 970 C GLY A 69 18.409 1.260 1.342 1.00 0.31 C ATOM 971 O GLY A 69 17.715 2.268 1.342 1.00 0.38 O ATOM 0 H GLY A 69 18.664 -1.994 1.390 1.00 0.29 H new ATOM 0 HA2 GLY A 69 16.749 -0.064 1.086 1.00 0.31 H new ATOM 0 HA3 GLY A 69 17.679 -0.352 2.543 1.00 0.31 H new ATOM 975 N ALA A 70 19.731 1.283 1.205 1.00 0.33 N ATOM 976 CA ALA A 70 20.484 2.529 1.027 1.00 0.37 C ATOM 977 C ALA A 70 19.928 3.401 -0.108 1.00 0.35 C ATOM 978 O ALA A 70 19.907 4.628 0.005 1.00 0.39 O ATOM 979 CB ALA A 70 21.952 2.210 0.778 1.00 0.44 C ATOM 0 H ALA A 70 20.312 0.445 1.214 1.00 0.33 H new ATOM 0 HA ALA A 70 20.380 3.106 1.946 1.00 0.37 H new ATOM 0 HB1 ALA A 70 22.509 3.138 0.646 1.00 0.44 H new ATOM 0 HB2 ALA A 70 22.355 1.663 1.630 1.00 0.44 H new ATOM 0 HB3 ALA A 70 22.044 1.601 -0.121 1.00 0.44 H new ATOM 985 N ASN A 71 19.459 2.780 -1.191 1.00 0.35 N ATOM 986 CA ASN A 71 18.981 3.544 -2.343 1.00 0.37 C ATOM 987 C ASN A 71 17.546 4.010 -2.118 1.00 0.34 C ATOM 988 O ASN A 71 17.155 5.092 -2.551 1.00 0.34 O ATOM 989 CB ASN A 71 19.095 2.746 -3.655 1.00 0.47 C ATOM 990 CG ASN A 71 18.128 1.596 -3.771 1.00 1.01 C ATOM 991 OD1 ASN A 71 16.922 1.782 -3.879 1.00 2.11 O ATOM 992 ND2 ASN A 71 18.669 0.390 -3.803 1.00 1.00 N ATOM 0 H ASN A 71 19.400 1.767 -1.294 1.00 0.35 H new ATOM 0 HA ASN A 71 19.624 4.419 -2.442 1.00 0.37 H new ATOM 0 HB2 ASN A 71 18.936 3.424 -4.493 1.00 0.47 H new ATOM 0 HB3 ASN A 71 20.111 2.361 -3.745 1.00 0.47 H new ATOM 0 HD21 ASN A 71 18.077 -0.432 -3.922 1.00 1.00 H new ATOM 0 HD22 ASN A 71 19.679 0.281 -3.709 1.00 1.00 H new ATOM 999 N ALA A 72 16.776 3.198 -1.409 1.00 0.35 N ATOM 1000 CA ALA A 72 15.408 3.553 -1.073 1.00 0.35 C ATOM 1001 C ALA A 72 15.415 4.680 -0.066 1.00 0.31 C ATOM 1002 O ALA A 72 14.561 5.570 -0.092 1.00 0.30 O ATOM 1003 CB ALA A 72 14.673 2.352 -0.518 1.00 0.42 C ATOM 0 H ALA A 72 17.076 2.289 -1.056 1.00 0.35 H new ATOM 0 HA ALA A 72 14.890 3.881 -1.974 1.00 0.35 H new ATOM 0 HB1 ALA A 72 13.649 2.634 -0.271 1.00 0.42 H new ATOM 0 HB2 ALA A 72 14.660 1.557 -1.263 1.00 0.42 H new ATOM 0 HB3 ALA A 72 15.179 1.999 0.381 1.00 0.42 H new ATOM 1009 N LYS A 73 16.395 4.635 0.822 1.00 0.31 N ATOM 1010 CA LYS A 73 16.595 5.697 1.790 1.00 0.31 C ATOM 1011 C LYS A 73 16.999 6.962 1.058 1.00 0.29 C ATOM 1012 O LYS A 73 16.567 8.050 1.411 1.00 0.30 O ATOM 1013 CB LYS A 73 17.656 5.319 2.824 1.00 0.37 C ATOM 1014 CG LYS A 73 17.301 4.086 3.638 1.00 0.39 C ATOM 1015 CD LYS A 73 15.948 4.226 4.319 1.00 0.44 C ATOM 1016 CE LYS A 73 16.013 5.141 5.529 1.00 0.85 C ATOM 1017 NZ LYS A 73 14.676 5.342 6.146 1.00 1.69 N ATOM 0 H LYS A 73 17.066 3.870 0.891 1.00 0.31 H new ATOM 0 HA LYS A 73 15.661 5.862 2.328 1.00 0.31 H new ATOM 0 HB2 LYS A 73 18.603 5.146 2.313 1.00 0.37 H new ATOM 0 HB3 LYS A 73 17.807 6.160 3.501 1.00 0.37 H new ATOM 0 HG2 LYS A 73 17.291 3.212 2.987 1.00 0.39 H new ATOM 0 HG3 LYS A 73 18.070 3.914 4.391 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.222 4.618 3.606 1.00 0.44 H new ATOM 0 HD3 LYS A 73 15.593 3.242 4.627 1.00 0.44 H new ATOM 0 HE2 LYS A 73 16.694 4.718 6.268 1.00 0.85 H new ATOM 0 HE3 LYS A 73 16.424 6.106 5.233 1.00 0.85 H new ATOM 0 HZ1 LYS A 73 14.679 6.221 6.702 1.00 1.69 H new ATOM 0 HZ2 LYS A 73 13.955 5.407 5.399 1.00 1.69 H new ATOM 0 HZ3 LYS A 73 14.457 4.539 6.769 1.00 1.69 H new ATOM 1031 N LYS A 74 17.808 6.792 0.018 1.00 0.31 N ATOM 1032 CA LYS A 74 18.226 7.900 -0.827 1.00 0.34 C ATOM 1033 C LYS A 74 17.008 8.635 -1.358 1.00 0.31 C ATOM 1034 O LYS A 74 16.921 9.864 -1.279 1.00 0.33 O ATOM 1035 CB LYS A 74 19.057 7.374 -1.996 1.00 0.44 C ATOM 1036 CG LYS A 74 19.915 8.435 -2.647 1.00 0.83 C ATOM 1037 CD LYS A 74 20.988 8.919 -1.686 1.00 1.02 C ATOM 1038 CE LYS A 74 21.964 7.801 -1.335 1.00 0.96 C ATOM 1039 NZ LYS A 74 22.803 7.401 -2.499 1.00 1.35 N ATOM 0 H LYS A 74 18.189 5.888 -0.260 1.00 0.31 H new ATOM 0 HA LYS A 74 18.830 8.588 -0.236 1.00 0.34 H new ATOM 0 HB2 LYS A 74 19.697 6.566 -1.643 1.00 0.44 H new ATOM 0 HB3 LYS A 74 18.389 6.948 -2.744 1.00 0.44 H new ATOM 0 HG2 LYS A 74 20.380 8.033 -3.547 1.00 0.83 H new ATOM 0 HG3 LYS A 74 19.292 9.274 -2.958 1.00 0.83 H new ATOM 0 HD2 LYS A 74 21.531 9.751 -2.134 1.00 1.02 H new ATOM 0 HD3 LYS A 74 20.521 9.296 -0.776 1.00 1.02 H new ATOM 0 HE2 LYS A 74 22.609 8.127 -0.519 1.00 0.96 H new ATOM 0 HE3 LYS A 74 21.408 6.935 -0.975 1.00 0.96 H new ATOM 0 HZ1 LYS A 74 23.551 6.752 -2.181 1.00 1.35 H new ATOM 0 HZ2 LYS A 74 22.209 6.925 -3.208 1.00 1.35 H new ATOM 0 HZ3 LYS A 74 23.236 8.247 -2.922 1.00 1.35 H new ATOM 1053 N GLU A 75 16.067 7.860 -1.875 1.00 0.34 N ATOM 1054 CA GLU A 75 14.848 8.410 -2.456 1.00 0.38 C ATOM 1055 C GLU A 75 14.004 9.146 -1.420 1.00 0.34 C ATOM 1056 O GLU A 75 13.632 10.307 -1.617 1.00 0.38 O ATOM 1057 CB GLU A 75 14.019 7.323 -3.138 1.00 0.47 C ATOM 1058 CG GLU A 75 14.738 6.639 -4.289 1.00 0.62 C ATOM 1059 CD GLU A 75 15.683 7.573 -5.035 1.00 0.96 C ATOM 1060 OE1 GLU A 75 15.234 8.257 -5.987 1.00 1.48 O ATOM 1061 OE2 GLU A 75 16.885 7.618 -4.694 1.00 1.36 O ATOM 0 H GLU A 75 16.123 6.842 -1.905 1.00 0.34 H new ATOM 0 HA GLU A 75 15.158 9.134 -3.210 1.00 0.38 H new ATOM 0 HB2 GLU A 75 13.740 6.573 -2.398 1.00 0.47 H new ATOM 0 HB3 GLU A 75 13.094 7.763 -3.509 1.00 0.47 H new ATOM 0 HG2 GLU A 75 15.303 5.790 -3.905 1.00 0.62 H new ATOM 0 HG3 GLU A 75 14.001 6.242 -4.987 1.00 0.62 H new ATOM 1068 N MET A 76 13.718 8.489 -0.307 1.00 0.31 N ATOM 1069 CA MET A 76 12.892 9.106 0.725 1.00 0.32 C ATOM 1070 C MET A 76 13.617 10.283 1.394 1.00 0.31 C ATOM 1071 O MET A 76 12.976 11.172 1.950 1.00 0.36 O ATOM 1072 CB MET A 76 12.439 8.068 1.763 1.00 0.33 C ATOM 1073 CG MET A 76 13.549 7.155 2.247 1.00 0.50 C ATOM 1074 SD MET A 76 13.025 6.005 3.540 1.00 0.65 S ATOM 1075 CE MET A 76 11.877 4.957 2.643 1.00 0.46 C ATOM 0 H MET A 76 14.038 7.544 -0.094 1.00 0.31 H new ATOM 0 HA MET A 76 12.000 9.504 0.241 1.00 0.32 H new ATOM 0 HB2 MET A 76 12.011 8.589 2.620 1.00 0.33 H new ATOM 0 HB3 MET A 76 11.645 7.460 1.331 1.00 0.33 H new ATOM 0 HG2 MET A 76 13.936 6.587 1.401 1.00 0.50 H new ATOM 0 HG3 MET A 76 14.371 7.764 2.624 1.00 0.50 H new ATOM 0 HE1 MET A 76 11.528 4.157 3.296 1.00 0.46 H new ATOM 0 HE2 MET A 76 11.026 5.551 2.311 1.00 0.46 H new ATOM 0 HE3 MET A 76 12.379 4.526 1.777 1.00 0.46 H new ATOM 1085 N VAL A 77 14.948 10.291 1.331 1.00 0.30 N ATOM 1086 CA VAL A 77 15.735 11.435 1.818 1.00 0.34 C ATOM 1087 C VAL A 77 15.594 12.641 0.885 1.00 0.37 C ATOM 1088 O VAL A 77 15.303 13.751 1.337 1.00 0.41 O ATOM 1089 CB VAL A 77 17.240 11.093 1.988 1.00 0.39 C ATOM 1090 CG1 VAL A 77 18.098 12.353 2.108 1.00 0.59 C ATOM 1091 CG2 VAL A 77 17.455 10.208 3.205 1.00 0.42 C ATOM 0 H VAL A 77 15.506 9.526 0.951 1.00 0.30 H new ATOM 0 HA VAL A 77 15.331 11.683 2.799 1.00 0.34 H new ATOM 0 HB VAL A 77 17.550 10.555 1.092 1.00 0.39 H new ATOM 0 HG11 VAL A 77 19.144 12.071 2.226 1.00 0.59 H new ATOM 0 HG12 VAL A 77 17.984 12.958 1.208 1.00 0.59 H new ATOM 0 HG13 VAL A 77 17.778 12.930 2.976 1.00 0.59 H new ATOM 0 HG21 VAL A 77 18.516 9.980 3.306 1.00 0.42 H new ATOM 0 HG22 VAL A 77 17.109 10.728 4.098 1.00 0.42 H new ATOM 0 HG23 VAL A 77 16.895 9.281 3.084 1.00 0.42 H new ATOM 1101 N LYS A 78 15.780 12.425 -0.421 1.00 0.39 N ATOM 1102 CA LYS A 78 15.697 13.523 -1.391 1.00 0.45 C ATOM 1103 C LYS A 78 14.251 14.004 -1.526 1.00 0.48 C ATOM 1104 O LYS A 78 13.972 15.028 -2.160 1.00 0.59 O ATOM 1105 CB LYS A 78 16.258 13.099 -2.758 1.00 0.54 C ATOM 1106 CG LYS A 78 15.306 12.253 -3.593 1.00 0.76 C ATOM 1107 CD LYS A 78 15.951 10.966 -4.075 1.00 0.84 C ATOM 1108 CE LYS A 78 17.049 11.209 -5.088 1.00 1.08 C ATOM 1109 NZ LYS A 78 17.485 9.934 -5.713 1.00 1.20 N ATOM 0 H LYS A 78 15.986 11.513 -0.828 1.00 0.39 H new ATOM 0 HA LYS A 78 16.306 14.349 -1.023 1.00 0.45 H new ATOM 0 HB2 LYS A 78 16.520 13.994 -3.323 1.00 0.54 H new ATOM 0 HB3 LYS A 78 17.180 12.539 -2.601 1.00 0.54 H new ATOM 0 HG2 LYS A 78 14.422 12.014 -3.002 1.00 0.76 H new ATOM 0 HG3 LYS A 78 14.968 12.832 -4.453 1.00 0.76 H new ATOM 0 HD2 LYS A 78 16.362 10.428 -3.221 1.00 0.84 H new ATOM 0 HD3 LYS A 78 15.188 10.325 -4.518 1.00 0.84 H new ATOM 0 HE2 LYS A 78 16.694 11.893 -5.858 1.00 1.08 H new ATOM 0 HE3 LYS A 78 17.898 11.689 -4.602 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 18.373 10.088 -6.232 1.00 1.20 H new ATOM 0 HZ2 LYS A 78 17.635 9.218 -4.973 1.00 1.20 H new ATOM 0 HZ3 LYS A 78 16.752 9.602 -6.372 1.00 1.20 H new ATOM 1123 N SER A 79 13.339 13.250 -0.919 1.00 0.44 N ATOM 1124 CA SER A 79 11.940 13.636 -0.835 1.00 0.51 C ATOM 1125 C SER A 79 11.747 14.774 0.171 1.00 0.55 C ATOM 1126 O SER A 79 10.621 15.215 0.414 1.00 0.64 O ATOM 1127 CB SER A 79 11.088 12.434 -0.439 1.00 0.53 C ATOM 1128 OG SER A 79 9.718 12.668 -0.721 1.00 1.37 O ATOM 0 H SER A 79 13.551 12.357 -0.474 1.00 0.44 H new ATOM 0 HA SER A 79 11.623 13.990 -1.816 1.00 0.51 H new ATOM 0 HB2 SER A 79 11.428 11.549 -0.977 1.00 0.53 H new ATOM 0 HB3 SER A 79 11.214 12.228 0.624 1.00 0.53 H new ATOM 0 HG SER A 79 9.550 12.516 -1.674 1.00 1.37 H new ATOM 1134 N LYS A 80 12.857 15.216 0.774 1.00 0.54 N ATOM 1135 CA LYS A 80 12.888 16.419 1.602 1.00 0.61 C ATOM 1136 C LYS A 80 12.196 16.176 2.940 1.00 0.62 C ATOM 1137 O LYS A 80 11.120 16.714 3.210 1.00 0.75 O ATOM 1138 CB LYS A 80 12.260 17.601 0.842 1.00 0.70 C ATOM 1139 CG LYS A 80 12.918 17.847 -0.508 1.00 1.01 C ATOM 1140 CD LYS A 80 12.057 18.712 -1.413 1.00 1.31 C ATOM 1141 CE LYS A 80 12.690 18.862 -2.787 1.00 1.94 C ATOM 1142 NZ LYS A 80 12.861 17.547 -3.464 1.00 2.65 N ATOM 0 H LYS A 80 13.759 14.746 0.699 1.00 0.54 H new ATOM 0 HA LYS A 80 13.926 16.672 1.818 1.00 0.61 H new ATOM 0 HB2 LYS A 80 11.197 17.409 0.694 1.00 0.70 H new ATOM 0 HB3 LYS A 80 12.340 18.502 1.450 1.00 0.70 H new ATOM 0 HG2 LYS A 80 13.884 18.329 -0.358 1.00 1.01 H new ATOM 0 HG3 LYS A 80 13.111 16.892 -0.996 1.00 1.01 H new ATOM 0 HD2 LYS A 80 11.066 18.268 -1.512 1.00 1.31 H new ATOM 0 HD3 LYS A 80 11.922 19.695 -0.962 1.00 1.31 H new ATOM 0 HE2 LYS A 80 12.069 19.511 -3.405 1.00 1.94 H new ATOM 0 HE3 LYS A 80 13.660 19.349 -2.689 1.00 1.94 H new ATOM 0 HZ1 LYS A 80 13.085 17.700 -4.468 1.00 2.65 H new ATOM 0 HZ2 LYS A 80 13.637 17.022 -3.012 1.00 2.65 H new ATOM 0 HZ3 LYS A 80 11.981 16.999 -3.385 1.00 2.65 H new ATOM 1156 N LEU A 81 12.814 15.336 3.762 1.00 0.66 N ATOM 1157 CA LEU A 81 12.263 14.995 5.067 1.00 0.69 C ATOM 1158 C LEU A 81 13.348 14.945 6.130 1.00 0.73 C ATOM 1159 O LEU A 81 14.530 14.798 5.814 1.00 0.75 O ATOM 1160 CB LEU A 81 11.598 13.625 5.028 1.00 0.70 C ATOM 1161 CG LEU A 81 10.583 13.412 3.917 1.00 0.68 C ATOM 1162 CD1 LEU A 81 10.296 11.933 3.757 1.00 1.16 C ATOM 1163 CD2 LEU A 81 9.298 14.172 4.212 1.00 1.08 C ATOM 0 H LEU A 81 13.699 14.878 3.547 1.00 0.66 H new ATOM 0 HA LEU A 81 11.536 15.769 5.313 1.00 0.69 H new ATOM 0 HB2 LEU A 81 12.376 12.867 4.933 1.00 0.70 H new ATOM 0 HB3 LEU A 81 11.103 13.456 5.984 1.00 0.70 H new ATOM 0 HG LEU A 81 10.999 13.795 2.985 1.00 0.68 H new ATOM 0 HD11 LEU A 81 9.568 11.788 2.959 1.00 1.16 H new ATOM 0 HD12 LEU A 81 11.218 11.408 3.507 1.00 1.16 H new ATOM 0 HD13 LEU A 81 9.895 11.537 4.690 1.00 1.16 H new ATOM 0 HD21 LEU A 81 8.584 14.007 3.405 1.00 1.08 H new ATOM 0 HD22 LEU A 81 8.873 13.817 5.151 1.00 1.08 H new ATOM 0 HD23 LEU A 81 9.515 15.237 4.292 1.00 1.08 H new ATOM 1175 N PRO A 82 12.949 15.061 7.404 1.00 0.78 N ATOM 1176 CA PRO A 82 13.823 14.773 8.536 1.00 0.84 C ATOM 1177 C PRO A 82 13.955 13.266 8.770 1.00 0.75 C ATOM 1178 O PRO A 82 13.197 12.467 8.210 1.00 0.70 O ATOM 1179 CB PRO A 82 13.108 15.442 9.710 1.00 0.95 C ATOM 1180 CG PRO A 82 11.667 15.410 9.340 1.00 0.91 C ATOM 1181 CD PRO A 82 11.611 15.510 7.840 1.00 0.82 C ATOM 0 HA PRO A 82 14.840 15.135 8.386 1.00 0.84 H new ATOM 0 HB2 PRO A 82 13.290 14.907 10.642 1.00 0.95 H new ATOM 0 HB3 PRO A 82 13.457 16.464 9.856 1.00 0.95 H new ATOM 0 HG2 PRO A 82 11.198 14.489 9.686 1.00 0.91 H new ATOM 0 HG3 PRO A 82 11.128 16.236 9.805 1.00 0.91 H new ATOM 0 HD2 PRO A 82 10.824 14.880 7.427 1.00 0.82 H new ATOM 0 HD3 PRO A 82 11.406 16.530 7.515 1.00 0.82 H new ATOM 1189 N ASN A 83 14.902 12.887 9.616 1.00 0.79 N ATOM 1190 CA ASN A 83 15.204 11.475 9.869 1.00 0.72 C ATOM 1191 C ASN A 83 14.024 10.741 10.501 1.00 0.65 C ATOM 1192 O ASN A 83 13.874 9.533 10.323 1.00 0.61 O ATOM 1193 CB ASN A 83 16.436 11.338 10.768 1.00 0.82 C ATOM 1194 CG ASN A 83 17.709 11.817 10.097 1.00 1.10 C ATOM 1195 OD1 ASN A 83 18.607 12.346 10.748 1.00 1.53 O ATOM 1196 ND2 ASN A 83 17.792 11.644 8.785 1.00 1.16 N ATOM 0 H ASN A 83 15.481 13.539 10.145 1.00 0.79 H new ATOM 0 HA ASN A 83 15.408 11.016 8.901 1.00 0.72 H new ATOM 0 HB2 ASN A 83 16.277 11.907 11.684 1.00 0.82 H new ATOM 0 HB3 ASN A 83 16.554 10.294 11.058 1.00 0.82 H new ATOM 0 HD21 ASN A 83 18.623 11.955 8.281 1.00 1.16 H new ATOM 0 HD22 ASN A 83 17.025 11.200 8.280 1.00 1.16 H new ATOM 1203 N THR A 84 13.193 11.472 11.228 1.00 0.67 N ATOM 1204 CA THR A 84 12.013 10.908 11.867 1.00 0.67 C ATOM 1205 C THR A 84 11.039 10.345 10.830 1.00 0.58 C ATOM 1206 O THR A 84 10.623 9.182 10.910 1.00 0.53 O ATOM 1207 CB THR A 84 11.311 11.983 12.696 1.00 0.77 C ATOM 1208 OG1 THR A 84 12.180 13.118 12.814 1.00 1.11 O ATOM 1209 CG2 THR A 84 10.954 11.451 14.077 1.00 1.24 C ATOM 0 H THR A 84 13.317 12.471 11.392 1.00 0.67 H new ATOM 0 HA THR A 84 12.335 10.093 12.515 1.00 0.67 H new ATOM 0 HB THR A 84 10.386 12.274 12.198 1.00 0.77 H new ATOM 0 HG1 THR A 84 11.738 13.815 13.343 1.00 1.11 H new ATOM 0 HG21 THR A 84 10.455 12.233 14.650 1.00 1.24 H new ATOM 0 HG22 THR A 84 10.288 10.594 13.976 1.00 1.24 H new ATOM 0 HG23 THR A 84 11.863 11.145 14.595 1.00 1.24 H new ATOM 1217 N VAL A 85 10.690 11.177 9.850 1.00 0.59 N ATOM 1218 CA VAL A 85 9.814 10.761 8.760 1.00 0.55 C ATOM 1219 C VAL A 85 10.477 9.640 7.966 1.00 0.49 C ATOM 1220 O VAL A 85 9.834 8.658 7.609 1.00 0.45 O ATOM 1221 CB VAL A 85 9.473 11.943 7.830 1.00 0.60 C ATOM 1222 CG1 VAL A 85 8.424 11.539 6.813 1.00 0.56 C ATOM 1223 CG2 VAL A 85 8.993 13.138 8.640 1.00 0.72 C ATOM 0 H VAL A 85 11.003 12.146 9.790 1.00 0.59 H new ATOM 0 HA VAL A 85 8.881 10.398 9.191 1.00 0.55 H new ATOM 0 HB VAL A 85 10.379 12.228 7.295 1.00 0.60 H new ATOM 0 HG11 VAL A 85 8.198 12.387 6.167 1.00 0.56 H new ATOM 0 HG12 VAL A 85 8.801 10.714 6.209 1.00 0.56 H new ATOM 0 HG13 VAL A 85 7.517 11.225 7.330 1.00 0.56 H new ATOM 0 HG21 VAL A 85 8.757 13.962 7.967 1.00 0.72 H new ATOM 0 HG22 VAL A 85 8.101 12.862 9.202 1.00 0.72 H new ATOM 0 HG23 VAL A 85 9.777 13.447 9.332 1.00 0.72 H new ATOM 1233 N LEU A 86 11.775 9.791 7.724 1.00 0.50 N ATOM 1234 CA LEU A 86 12.584 8.753 7.094 1.00 0.50 C ATOM 1235 C LEU A 86 12.380 7.406 7.768 1.00 0.40 C ATOM 1236 O LEU A 86 12.141 6.394 7.102 1.00 0.38 O ATOM 1237 CB LEU A 86 14.062 9.129 7.183 1.00 0.62 C ATOM 1238 CG LEU A 86 14.667 9.766 5.933 1.00 0.72 C ATOM 1239 CD1 LEU A 86 14.816 8.729 4.841 1.00 1.45 C ATOM 1240 CD2 LEU A 86 13.819 10.930 5.447 1.00 1.34 C ATOM 0 H LEU A 86 12.296 10.636 7.959 1.00 0.50 H new ATOM 0 HA LEU A 86 12.273 8.673 6.052 1.00 0.50 H new ATOM 0 HB2 LEU A 86 14.192 9.819 8.017 1.00 0.62 H new ATOM 0 HB3 LEU A 86 14.631 8.231 7.421 1.00 0.62 H new ATOM 0 HG LEU A 86 15.653 10.154 6.190 1.00 0.72 H new ATOM 0 HD11 LEU A 86 15.248 9.194 3.955 1.00 1.45 H new ATOM 0 HD12 LEU A 86 15.470 7.928 5.186 1.00 1.45 H new ATOM 0 HD13 LEU A 86 13.837 8.317 4.594 1.00 1.45 H new ATOM 0 HD21 LEU A 86 14.273 11.364 4.556 1.00 1.34 H new ATOM 0 HD22 LEU A 86 12.817 10.575 5.207 1.00 1.34 H new ATOM 0 HD23 LEU A 86 13.758 11.687 6.229 1.00 1.34 H new ATOM 1252 N GLY A 87 12.492 7.399 9.091 1.00 0.39 N ATOM 1253 CA GLY A 87 12.412 6.164 9.837 1.00 0.39 C ATOM 1254 C GLY A 87 11.042 5.529 9.791 1.00 0.33 C ATOM 1255 O GLY A 87 10.927 4.321 9.572 1.00 0.37 O ATOM 0 H GLY A 87 12.637 8.233 9.660 1.00 0.39 H new ATOM 0 HA2 GLY A 87 13.145 5.460 9.442 1.00 0.39 H new ATOM 0 HA3 GLY A 87 12.682 6.356 10.875 1.00 0.39 H new ATOM 1259 N LYS A 88 9.995 6.325 9.972 1.00 0.34 N ATOM 1260 CA LYS A 88 8.654 5.761 10.029 1.00 0.37 C ATOM 1261 C LYS A 88 8.146 5.395 8.639 1.00 0.34 C ATOM 1262 O LYS A 88 7.386 4.444 8.493 1.00 0.41 O ATOM 1263 CB LYS A 88 7.670 6.696 10.742 1.00 0.49 C ATOM 1264 CG LYS A 88 7.307 7.948 9.966 1.00 0.65 C ATOM 1265 CD LYS A 88 6.098 8.637 10.584 1.00 0.98 C ATOM 1266 CE LYS A 88 5.717 9.903 9.840 1.00 1.52 C ATOM 1267 NZ LYS A 88 4.503 10.533 10.426 1.00 1.66 N ATOM 0 H LYS A 88 10.045 7.338 10.079 1.00 0.34 H new ATOM 0 HA LYS A 88 8.719 4.845 10.617 1.00 0.37 H new ATOM 0 HB2 LYS A 88 6.757 6.142 10.959 1.00 0.49 H new ATOM 0 HB3 LYS A 88 8.099 6.991 11.700 1.00 0.49 H new ATOM 0 HG2 LYS A 88 8.155 8.633 9.955 1.00 0.65 H new ATOM 0 HG3 LYS A 88 7.093 7.689 8.929 1.00 0.65 H new ATOM 0 HD2 LYS A 88 5.252 7.950 10.585 1.00 0.98 H new ATOM 0 HD3 LYS A 88 6.313 8.880 11.625 1.00 0.98 H new ATOM 0 HE2 LYS A 88 6.547 10.609 9.872 1.00 1.52 H new ATOM 0 HE3 LYS A 88 5.537 9.670 8.791 1.00 1.52 H new ATOM 0 HZ1 LYS A 88 4.576 11.567 10.347 1.00 1.66 H new ATOM 0 HZ2 LYS A 88 3.660 10.206 9.913 1.00 1.66 H new ATOM 0 HZ3 LYS A 88 4.423 10.267 11.428 1.00 1.66 H new ATOM 1281 N ILE A 89 8.572 6.137 7.621 1.00 0.30 N ATOM 1282 CA ILE A 89 8.238 5.783 6.246 1.00 0.31 C ATOM 1283 C ILE A 89 8.888 4.461 5.897 1.00 0.26 C ATOM 1284 O ILE A 89 8.249 3.564 5.342 1.00 0.28 O ATOM 1285 CB ILE A 89 8.690 6.862 5.235 1.00 0.37 C ATOM 1286 CG1 ILE A 89 7.847 8.119 5.392 1.00 0.71 C ATOM 1287 CG2 ILE A 89 8.612 6.343 3.804 1.00 0.56 C ATOM 1288 CD1 ILE A 89 8.151 9.171 4.357 1.00 1.15 C ATOM 0 H ILE A 89 9.142 6.977 7.720 1.00 0.30 H new ATOM 0 HA ILE A 89 7.153 5.706 6.179 1.00 0.31 H new ATOM 0 HB ILE A 89 9.731 7.108 5.446 1.00 0.37 H new ATOM 0 HG12 ILE A 89 6.792 7.851 5.330 1.00 0.71 H new ATOM 0 HG13 ILE A 89 8.012 8.537 6.385 1.00 0.71 H new ATOM 0 HG21 ILE A 89 8.936 7.124 3.116 1.00 0.56 H new ATOM 0 HG22 ILE A 89 9.260 5.473 3.697 1.00 0.56 H new ATOM 0 HG23 ILE A 89 7.584 6.061 3.575 1.00 0.56 H new ATOM 0 HD11 ILE A 89 7.516 10.041 4.525 1.00 1.15 H new ATOM 0 HD12 ILE A 89 9.198 9.465 4.434 1.00 1.15 H new ATOM 0 HD13 ILE A 89 7.959 8.769 3.362 1.00 1.15 H new ATOM 1300 N TRP A 90 10.163 4.351 6.252 1.00 0.24 N ATOM 1301 CA TRP A 90 10.909 3.128 6.038 1.00 0.22 C ATOM 1302 C TRP A 90 10.182 1.934 6.632 1.00 0.23 C ATOM 1303 O TRP A 90 9.859 0.993 5.929 1.00 0.25 O ATOM 1304 CB TRP A 90 12.294 3.222 6.665 1.00 0.22 C ATOM 1305 CG TRP A 90 13.087 1.970 6.484 1.00 0.23 C ATOM 1306 CD1 TRP A 90 13.402 1.059 7.448 1.00 0.30 C ATOM 1307 CD2 TRP A 90 13.634 1.469 5.262 1.00 0.21 C ATOM 1308 NE1 TRP A 90 14.139 0.035 6.901 1.00 0.30 N ATOM 1309 CE2 TRP A 90 14.295 0.266 5.563 1.00 0.25 C ATOM 1310 CE3 TRP A 90 13.644 1.930 3.942 1.00 0.22 C ATOM 1311 CZ2 TRP A 90 14.951 -0.486 4.597 1.00 0.28 C ATOM 1312 CZ3 TRP A 90 14.296 1.178 2.985 1.00 0.28 C ATOM 1313 CH2 TRP A 90 14.941 -0.017 3.317 1.00 0.30 C ATOM 0 H TRP A 90 10.699 5.100 6.691 1.00 0.24 H new ATOM 0 HA TRP A 90 11.005 2.992 4.961 1.00 0.22 H new ATOM 0 HB2 TRP A 90 12.834 4.058 6.222 1.00 0.22 H new ATOM 0 HB3 TRP A 90 12.194 3.435 7.729 1.00 0.22 H new ATOM 0 HD1 TRP A 90 13.115 1.131 8.487 1.00 0.30 H new ATOM 0 HE1 TRP A 90 14.509 -0.767 7.411 1.00 0.30 H new ATOM 0 HE3 TRP A 90 13.152 2.854 3.677 1.00 0.22 H new ATOM 0 HZ2 TRP A 90 15.451 -1.409 4.851 1.00 0.28 H new ATOM 0 HZ3 TRP A 90 14.308 1.519 1.960 1.00 0.28 H new ATOM 0 HH2 TRP A 90 15.442 -0.580 2.543 1.00 0.30 H new ATOM 1324 N LYS A 91 9.904 2.006 7.923 1.00 0.26 N ATOM 1325 CA LYS A 91 9.375 0.865 8.653 1.00 0.30 C ATOM 1326 C LYS A 91 7.895 0.647 8.392 1.00 0.31 C ATOM 1327 O LYS A 91 7.327 -0.370 8.801 1.00 0.42 O ATOM 1328 CB LYS A 91 9.622 1.052 10.133 1.00 0.40 C ATOM 1329 CG LYS A 91 11.081 1.090 10.489 1.00 1.08 C ATOM 1330 CD LYS A 91 11.270 0.964 11.982 1.00 1.26 C ATOM 1331 CE LYS A 91 12.734 1.019 12.354 1.00 2.03 C ATOM 1332 NZ LYS A 91 13.277 2.402 12.313 1.00 2.54 N ATOM 0 H LYS A 91 10.036 2.844 8.489 1.00 0.26 H new ATOM 0 HA LYS A 91 9.896 -0.025 8.298 1.00 0.30 H new ATOM 0 HB2 LYS A 91 9.151 1.979 10.459 1.00 0.40 H new ATOM 0 HB3 LYS A 91 9.142 0.241 10.680 1.00 0.40 H new ATOM 0 HG2 LYS A 91 11.605 0.280 9.982 1.00 1.08 H new ATOM 0 HG3 LYS A 91 11.522 2.024 10.139 1.00 1.08 H new ATOM 0 HD2 LYS A 91 10.733 1.766 12.488 1.00 1.26 H new ATOM 0 HD3 LYS A 91 10.839 0.024 12.328 1.00 1.26 H new ATOM 0 HE2 LYS A 91 12.867 0.609 13.355 1.00 2.03 H new ATOM 0 HE3 LYS A 91 13.303 0.388 11.672 1.00 2.03 H new ATOM 0 HZ1 LYS A 91 14.283 2.388 12.576 1.00 2.54 H new ATOM 0 HZ2 LYS A 91 13.175 2.787 11.352 1.00 2.54 H new ATOM 0 HZ3 LYS A 91 12.753 3.001 12.983 1.00 2.54 H new ATOM 1346 N LEU A 92 7.267 1.599 7.725 1.00 0.27 N ATOM 1347 CA LEU A 92 5.872 1.446 7.351 1.00 0.33 C ATOM 1348 C LEU A 92 5.769 0.754 6.001 1.00 0.34 C ATOM 1349 O LEU A 92 4.747 0.151 5.681 1.00 0.47 O ATOM 1350 CB LEU A 92 5.155 2.801 7.296 1.00 0.37 C ATOM 1351 CG LEU A 92 3.774 2.841 7.970 1.00 0.49 C ATOM 1352 CD1 LEU A 92 3.912 2.714 9.483 1.00 0.86 C ATOM 1353 CD2 LEU A 92 3.027 4.120 7.606 1.00 0.61 C ATOM 0 H LEU A 92 7.695 2.478 7.434 1.00 0.27 H new ATOM 0 HA LEU A 92 5.386 0.836 8.112 1.00 0.33 H new ATOM 0 HB2 LEU A 92 5.792 3.550 7.766 1.00 0.37 H new ATOM 0 HB3 LEU A 92 5.040 3.090 6.251 1.00 0.37 H new ATOM 0 HG LEU A 92 3.194 1.994 7.604 1.00 0.49 H new ATOM 0 HD11 LEU A 92 2.924 2.744 9.942 1.00 0.86 H new ATOM 0 HD12 LEU A 92 4.396 1.768 9.726 1.00 0.86 H new ATOM 0 HD13 LEU A 92 4.515 3.539 9.864 1.00 0.86 H new ATOM 0 HD21 LEU A 92 2.053 4.124 8.095 1.00 0.61 H new ATOM 0 HD22 LEU A 92 3.603 4.984 7.937 1.00 0.61 H new ATOM 0 HD23 LEU A 92 2.891 4.167 6.526 1.00 0.61 H new ATOM 1365 N ALA A 93 6.831 0.844 5.206 1.00 0.30 N ATOM 1366 CA ALA A 93 6.850 0.180 3.908 1.00 0.37 C ATOM 1367 C ALA A 93 7.706 -1.087 3.956 1.00 0.37 C ATOM 1368 O ALA A 93 7.356 -2.112 3.371 1.00 0.45 O ATOM 1369 CB ALA A 93 7.340 1.136 2.836 1.00 0.43 C ATOM 0 H ALA A 93 7.679 1.363 5.434 1.00 0.30 H new ATOM 0 HA ALA A 93 5.833 -0.121 3.656 1.00 0.37 H new ATOM 0 HB1 ALA A 93 7.349 0.628 1.872 1.00 0.43 H new ATOM 0 HB2 ALA A 93 6.675 1.998 2.785 1.00 0.43 H new ATOM 0 HB3 ALA A 93 8.348 1.470 3.080 1.00 0.43 H new ATOM 1375 N ASP A 94 8.822 -1.010 4.668 1.00 0.32 N ATOM 1376 CA ASP A 94 9.704 -2.155 4.854 1.00 0.38 C ATOM 1377 C ASP A 94 9.181 -3.011 6.005 1.00 0.45 C ATOM 1378 O ASP A 94 9.646 -2.911 7.137 1.00 0.49 O ATOM 1379 CB ASP A 94 11.148 -1.686 5.119 1.00 0.35 C ATOM 1380 CG ASP A 94 12.159 -2.815 5.157 1.00 0.47 C ATOM 1381 OD1 ASP A 94 12.141 -3.656 4.249 1.00 0.61 O ATOM 1382 OD2 ASP A 94 12.998 -2.847 6.075 1.00 0.62 O ATOM 0 H ASP A 94 9.140 -0.158 5.130 1.00 0.32 H new ATOM 0 HA ASP A 94 9.716 -2.757 3.946 1.00 0.38 H new ATOM 0 HB2 ASP A 94 11.438 -0.977 4.344 1.00 0.35 H new ATOM 0 HB3 ASP A 94 11.178 -1.151 6.068 1.00 0.35 H new ATOM 1387 N VAL A 95 8.167 -3.811 5.699 1.00 0.64 N ATOM 1388 CA VAL A 95 7.512 -4.687 6.672 1.00 0.79 C ATOM 1389 C VAL A 95 8.491 -5.704 7.247 1.00 0.74 C ATOM 1390 O VAL A 95 8.422 -6.082 8.419 1.00 0.88 O ATOM 1391 CB VAL A 95 6.336 -5.431 6.017 1.00 1.07 C ATOM 1392 CG1 VAL A 95 5.169 -4.486 5.791 1.00 1.76 C ATOM 1393 CG2 VAL A 95 6.766 -6.054 4.701 1.00 1.57 C ATOM 0 H VAL A 95 7.770 -3.873 4.761 1.00 0.64 H new ATOM 0 HA VAL A 95 7.143 -4.059 7.483 1.00 0.79 H new ATOM 0 HB VAL A 95 6.017 -6.226 6.691 1.00 1.07 H new ATOM 0 HG11 VAL A 95 4.346 -5.029 5.327 1.00 1.76 H new ATOM 0 HG12 VAL A 95 4.841 -4.078 6.747 1.00 1.76 H new ATOM 0 HG13 VAL A 95 5.481 -3.672 5.137 1.00 1.76 H new ATOM 0 HG21 VAL A 95 5.921 -6.576 4.252 1.00 1.57 H new ATOM 0 HG22 VAL A 95 7.111 -5.272 4.024 1.00 1.57 H new ATOM 0 HG23 VAL A 95 7.576 -6.761 4.881 1.00 1.57 H new ATOM 1403 N ASP A 96 9.417 -6.100 6.405 1.00 0.68 N ATOM 1404 CA ASP A 96 10.395 -7.130 6.700 1.00 0.73 C ATOM 1405 C ASP A 96 11.518 -6.596 7.567 1.00 0.60 C ATOM 1406 O ASP A 96 12.175 -7.358 8.284 1.00 0.68 O ATOM 1407 CB ASP A 96 10.950 -7.668 5.378 1.00 0.94 C ATOM 1408 CG ASP A 96 11.279 -6.574 4.362 1.00 1.04 C ATOM 1409 OD1 ASP A 96 10.554 -5.576 4.259 1.00 1.70 O ATOM 1410 OD2 ASP A 96 12.287 -6.670 3.653 1.00 1.40 O ATOM 0 H ASP A 96 9.516 -5.706 5.469 1.00 0.68 H new ATOM 0 HA ASP A 96 9.911 -7.932 7.258 1.00 0.73 H new ATOM 0 HB2 ASP A 96 11.851 -8.247 5.581 1.00 0.94 H new ATOM 0 HB3 ASP A 96 10.223 -8.352 4.940 1.00 0.94 H new ATOM 1415 N LYS A 97 11.724 -5.291 7.486 1.00 0.48 N ATOM 1416 CA LYS A 97 12.701 -4.580 8.301 1.00 0.46 C ATOM 1417 C LYS A 97 14.057 -5.266 8.320 1.00 0.46 C ATOM 1418 O LYS A 97 14.634 -5.506 9.383 1.00 0.70 O ATOM 1419 CB LYS A 97 12.179 -4.376 9.719 1.00 0.59 C ATOM 1420 CG LYS A 97 10.960 -3.484 9.752 1.00 0.67 C ATOM 1421 CD LYS A 97 10.402 -3.321 11.156 1.00 0.82 C ATOM 1422 CE LYS A 97 9.804 -4.613 11.690 1.00 1.34 C ATOM 1423 NZ LYS A 97 8.583 -5.016 10.942 1.00 1.74 N ATOM 0 H LYS A 97 11.211 -4.686 6.844 1.00 0.48 H new ATOM 0 HA LYS A 97 12.847 -3.605 7.837 1.00 0.46 H new ATOM 0 HB2 LYS A 97 11.932 -5.343 10.157 1.00 0.59 H new ATOM 0 HB3 LYS A 97 12.965 -3.939 10.335 1.00 0.59 H new ATOM 0 HG2 LYS A 97 11.219 -2.504 9.350 1.00 0.67 H new ATOM 0 HG3 LYS A 97 10.190 -3.901 9.103 1.00 0.67 H new ATOM 0 HD2 LYS A 97 11.196 -2.987 11.824 1.00 0.82 H new ATOM 0 HD3 LYS A 97 9.639 -2.543 11.154 1.00 0.82 H new ATOM 0 HE2 LYS A 97 10.546 -5.409 11.627 1.00 1.34 H new ATOM 0 HE3 LYS A 97 9.558 -4.489 12.745 1.00 1.34 H new ATOM 0 HZ1 LYS A 97 8.025 -5.678 11.519 1.00 1.74 H new ATOM 0 HZ2 LYS A 97 8.011 -4.173 10.731 1.00 1.74 H new ATOM 0 HZ3 LYS A 97 8.858 -5.479 10.052 1.00 1.74 H new ATOM 1437 N ASP A 98 14.557 -5.575 7.136 1.00 0.35 N ATOM 1438 CA ASP A 98 15.861 -6.201 6.990 1.00 0.43 C ATOM 1439 C ASP A 98 16.846 -5.227 6.363 1.00 0.39 C ATOM 1440 O ASP A 98 18.053 -5.475 6.349 1.00 0.63 O ATOM 1441 CB ASP A 98 15.761 -7.476 6.143 1.00 0.69 C ATOM 1442 CG ASP A 98 15.224 -7.233 4.740 1.00 0.72 C ATOM 1443 OD1 ASP A 98 14.837 -6.082 4.451 1.00 1.51 O ATOM 1444 OD2 ASP A 98 15.202 -8.186 3.924 1.00 1.35 O ATOM 0 H ASP A 98 14.075 -5.401 6.254 1.00 0.35 H new ATOM 0 HA ASP A 98 16.222 -6.476 7.981 1.00 0.43 H new ATOM 0 HB2 ASP A 98 16.748 -7.933 6.071 1.00 0.69 H new ATOM 0 HB3 ASP A 98 15.115 -8.191 6.652 1.00 0.69 H new ATOM 1449 N GLY A 99 16.333 -4.109 5.863 1.00 0.29 N ATOM 1450 CA GLY A 99 17.199 -3.122 5.245 1.00 0.29 C ATOM 1451 C GLY A 99 17.159 -3.164 3.729 1.00 0.24 C ATOM 1452 O GLY A 99 18.112 -2.743 3.072 1.00 0.27 O ATOM 0 H GLY A 99 15.342 -3.869 5.874 1.00 0.29 H new ATOM 0 HA2 GLY A 99 16.907 -2.128 5.583 1.00 0.29 H new ATOM 0 HA3 GLY A 99 18.223 -3.285 5.581 1.00 0.29 H new ATOM 1456 N LEU A 100 16.078 -3.695 3.167 1.00 0.23 N ATOM 1457 CA LEU A 100 15.887 -3.672 1.718 1.00 0.21 C ATOM 1458 C LEU A 100 14.405 -3.699 1.356 1.00 0.24 C ATOM 1459 O LEU A 100 13.556 -4.018 2.193 1.00 0.38 O ATOM 1460 CB LEU A 100 16.651 -4.821 1.053 1.00 0.27 C ATOM 1461 CG LEU A 100 16.356 -6.223 1.584 1.00 0.39 C ATOM 1462 CD1 LEU A 100 15.120 -6.812 0.921 1.00 0.41 C ATOM 1463 CD2 LEU A 100 17.566 -7.112 1.380 1.00 0.54 C ATOM 0 H LEU A 100 15.324 -4.144 3.687 1.00 0.23 H new ATOM 0 HA LEU A 100 16.295 -2.736 1.336 1.00 0.21 H new ATOM 0 HB2 LEU A 100 16.432 -4.806 -0.015 1.00 0.27 H new ATOM 0 HB3 LEU A 100 17.719 -4.631 1.162 1.00 0.27 H new ATOM 0 HG LEU A 100 16.148 -6.158 2.652 1.00 0.39 H new ATOM 0 HD11 LEU A 100 14.935 -7.810 1.318 1.00 0.41 H new ATOM 0 HD12 LEU A 100 14.259 -6.175 1.124 1.00 0.41 H new ATOM 0 HD13 LEU A 100 15.279 -6.874 -0.156 1.00 0.41 H new ATOM 0 HD21 LEU A 100 17.352 -8.111 1.760 1.00 0.54 H new ATOM 0 HD22 LEU A 100 17.799 -7.170 0.317 1.00 0.54 H new ATOM 0 HD23 LEU A 100 18.418 -6.695 1.916 1.00 0.54 H new ATOM 1475 N LEU A 101 14.104 -3.441 0.089 1.00 0.20 N ATOM 1476 CA LEU A 101 12.749 -3.158 -0.340 1.00 0.20 C ATOM 1477 C LEU A 101 12.569 -3.745 -1.722 1.00 0.17 C ATOM 1478 O LEU A 101 13.278 -3.377 -2.654 1.00 0.18 O ATOM 1479 CB LEU A 101 12.467 -1.644 -0.411 1.00 0.24 C ATOM 1480 CG LEU A 101 12.292 -0.919 0.925 1.00 0.26 C ATOM 1481 CD1 LEU A 101 12.055 0.562 0.700 1.00 0.68 C ATOM 1482 CD2 LEU A 101 11.138 -1.506 1.701 1.00 0.58 C ATOM 0 H LEU A 101 14.792 -3.423 -0.663 1.00 0.20 H new ATOM 0 HA LEU A 101 12.059 -3.592 0.384 1.00 0.20 H new ATOM 0 HB2 LEU A 101 13.286 -1.169 -0.952 1.00 0.24 H new ATOM 0 HB3 LEU A 101 11.564 -1.492 -1.002 1.00 0.24 H new ATOM 0 HG LEU A 101 13.208 -1.048 1.501 1.00 0.26 H new ATOM 0 HD11 LEU A 101 11.933 1.061 1.661 1.00 0.68 H new ATOM 0 HD12 LEU A 101 12.908 0.991 0.174 1.00 0.68 H new ATOM 0 HD13 LEU A 101 11.154 0.700 0.103 1.00 0.68 H new ATOM 0 HD21 LEU A 101 11.030 -0.977 2.648 1.00 0.58 H new ATOM 0 HD22 LEU A 101 10.220 -1.404 1.121 1.00 0.58 H new ATOM 0 HD23 LEU A 101 11.329 -2.561 1.895 1.00 0.58 H new ATOM 1494 N ASP A 102 11.657 -4.664 -1.860 1.00 0.16 N ATOM 1495 CA ASP A 102 11.435 -5.290 -3.142 1.00 0.17 C ATOM 1496 C ASP A 102 10.538 -4.414 -4.027 1.00 0.16 C ATOM 1497 O ASP A 102 10.236 -3.281 -3.672 1.00 0.16 O ATOM 1498 CB ASP A 102 10.870 -6.694 -2.959 1.00 0.25 C ATOM 1499 CG ASP A 102 9.379 -6.722 -2.638 1.00 0.77 C ATOM 1500 OD1 ASP A 102 8.566 -6.549 -3.567 1.00 1.40 O ATOM 1501 OD2 ASP A 102 9.019 -6.907 -1.457 1.00 1.50 O ATOM 0 H ASP A 102 11.055 -4.999 -1.108 1.00 0.16 H new ATOM 0 HA ASP A 102 12.391 -5.389 -3.656 1.00 0.17 H new ATOM 0 HB2 ASP A 102 11.047 -7.268 -3.869 1.00 0.25 H new ATOM 0 HB3 ASP A 102 11.414 -7.193 -2.157 1.00 0.25 H new ATOM 1506 N ASP A 103 10.148 -4.943 -5.177 1.00 0.18 N ATOM 1507 CA ASP A 103 9.400 -4.197 -6.199 1.00 0.19 C ATOM 1508 C ASP A 103 8.106 -3.586 -5.642 1.00 0.16 C ATOM 1509 O ASP A 103 7.753 -2.449 -5.971 1.00 0.17 O ATOM 1510 CB ASP A 103 9.080 -5.198 -7.314 1.00 0.28 C ATOM 1511 CG ASP A 103 8.300 -4.621 -8.468 1.00 0.97 C ATOM 1512 OD1 ASP A 103 8.859 -3.814 -9.224 1.00 1.73 O ATOM 1513 OD2 ASP A 103 7.134 -5.025 -8.652 1.00 1.65 O ATOM 0 H ASP A 103 10.340 -5.910 -5.437 1.00 0.18 H new ATOM 0 HA ASP A 103 9.996 -3.359 -6.562 1.00 0.19 H new ATOM 0 HB2 ASP A 103 10.015 -5.610 -7.694 1.00 0.28 H new ATOM 0 HB3 ASP A 103 8.515 -6.028 -6.889 1.00 0.28 H new ATOM 1518 N GLU A 104 7.436 -4.299 -4.747 1.00 0.18 N ATOM 1519 CA GLU A 104 6.207 -3.787 -4.148 1.00 0.23 C ATOM 1520 C GLU A 104 6.517 -3.014 -2.876 1.00 0.19 C ATOM 1521 O GLU A 104 5.730 -2.182 -2.422 1.00 0.22 O ATOM 1522 CB GLU A 104 5.235 -4.910 -3.835 1.00 0.33 C ATOM 1523 CG GLU A 104 3.793 -4.436 -3.758 1.00 0.65 C ATOM 1524 CD GLU A 104 3.130 -4.367 -5.118 1.00 1.28 C ATOM 1525 OE1 GLU A 104 3.031 -5.424 -5.787 1.00 1.68 O ATOM 1526 OE2 GLU A 104 2.729 -3.264 -5.530 1.00 2.14 O ATOM 0 H GLU A 104 7.717 -5.224 -4.421 1.00 0.18 H new ATOM 0 HA GLU A 104 5.742 -3.119 -4.873 1.00 0.23 H new ATOM 0 HB2 GLU A 104 5.319 -5.681 -4.601 1.00 0.33 H new ATOM 0 HB3 GLU A 104 5.512 -5.371 -2.887 1.00 0.33 H new ATOM 0 HG2 GLU A 104 3.227 -5.110 -3.115 1.00 0.65 H new ATOM 0 HG3 GLU A 104 3.762 -3.451 -3.292 1.00 0.65 H new ATOM 1533 N GLU A 105 7.665 -3.296 -2.294 1.00 0.18 N ATOM 1534 CA GLU A 105 8.096 -2.592 -1.104 1.00 0.17 C ATOM 1535 C GLU A 105 8.541 -1.179 -1.465 1.00 0.17 C ATOM 1536 O GLU A 105 8.406 -0.256 -0.667 1.00 0.22 O ATOM 1537 CB GLU A 105 9.210 -3.363 -0.407 1.00 0.19 C ATOM 1538 CG GLU A 105 8.792 -3.974 0.921 1.00 0.26 C ATOM 1539 CD GLU A 105 9.797 -4.972 1.464 1.00 0.40 C ATOM 1540 OE1 GLU A 105 10.951 -4.581 1.696 1.00 0.81 O ATOM 1541 OE2 GLU A 105 9.449 -6.165 1.638 1.00 1.11 O ATOM 0 H GLU A 105 8.316 -4.008 -2.626 1.00 0.18 H new ATOM 0 HA GLU A 105 7.259 -2.516 -0.410 1.00 0.17 H new ATOM 0 HB2 GLU A 105 9.559 -4.156 -1.068 1.00 0.19 H new ATOM 0 HB3 GLU A 105 10.053 -2.693 -0.239 1.00 0.19 H new ATOM 0 HG2 GLU A 105 8.650 -3.177 1.651 1.00 0.26 H new ATOM 0 HG3 GLU A 105 7.829 -4.469 0.798 1.00 0.26 H new ATOM 1548 N PHE A 106 9.063 -1.017 -2.681 1.00 0.16 N ATOM 1549 CA PHE A 106 9.339 0.300 -3.236 1.00 0.16 C ATOM 1550 C PHE A 106 8.020 0.898 -3.703 1.00 0.16 C ATOM 1551 O PHE A 106 7.797 2.104 -3.598 1.00 0.18 O ATOM 1552 CB PHE A 106 10.344 0.205 -4.403 1.00 0.19 C ATOM 1553 CG PHE A 106 10.955 1.526 -4.843 1.00 0.21 C ATOM 1554 CD1 PHE A 106 10.332 2.738 -4.591 1.00 1.04 C ATOM 1555 CD2 PHE A 106 12.159 1.545 -5.525 1.00 1.04 C ATOM 1556 CE1 PHE A 106 10.899 3.930 -4.998 1.00 1.04 C ATOM 1557 CE2 PHE A 106 12.730 2.732 -5.931 1.00 1.07 C ATOM 1558 CZ PHE A 106 12.099 3.925 -5.672 1.00 0.28 C ATOM 0 H PHE A 106 9.303 -1.790 -3.301 1.00 0.16 H new ATOM 0 HA PHE A 106 9.790 0.939 -2.477 1.00 0.16 H new ATOM 0 HB2 PHE A 106 11.149 -0.470 -4.113 1.00 0.19 H new ATOM 0 HB3 PHE A 106 9.841 -0.247 -5.258 1.00 0.19 H new ATOM 0 HD1 PHE A 106 9.387 2.751 -4.068 1.00 1.04 H new ATOM 0 HD2 PHE A 106 12.660 0.613 -5.743 1.00 1.04 H new ATOM 0 HE1 PHE A 106 10.401 4.865 -4.788 1.00 1.04 H new ATOM 0 HE2 PHE A 106 13.675 2.724 -6.454 1.00 1.07 H new ATOM 0 HZ PHE A 106 12.543 4.855 -5.996 1.00 0.28 H new ATOM 1568 N ALA A 107 7.128 0.037 -4.189 1.00 0.16 N ATOM 1569 CA ALA A 107 5.790 0.470 -4.559 1.00 0.16 C ATOM 1570 C ALA A 107 5.137 1.204 -3.395 1.00 0.16 C ATOM 1571 O ALA A 107 4.626 2.317 -3.543 1.00 0.18 O ATOM 1572 CB ALA A 107 4.952 -0.718 -5.001 1.00 0.19 C ATOM 0 H ALA A 107 7.309 -0.956 -4.334 1.00 0.16 H new ATOM 0 HA ALA A 107 5.859 1.160 -5.400 1.00 0.16 H new ATOM 0 HB1 ALA A 107 3.953 -0.377 -5.275 1.00 0.19 H new ATOM 0 HB2 ALA A 107 5.421 -1.194 -5.862 1.00 0.19 H new ATOM 0 HB3 ALA A 107 4.879 -1.436 -4.184 1.00 0.19 H new ATOM 1578 N LEU A 108 5.201 0.595 -2.225 1.00 0.18 N ATOM 1579 CA LEU A 108 4.655 1.206 -1.031 1.00 0.22 C ATOM 1580 C LEU A 108 5.561 2.319 -0.512 1.00 0.19 C ATOM 1581 O LEU A 108 5.066 3.345 -0.060 1.00 0.20 O ATOM 1582 CB LEU A 108 4.420 0.157 0.050 1.00 0.34 C ATOM 1583 CG LEU A 108 3.897 0.699 1.381 1.00 0.52 C ATOM 1584 CD1 LEU A 108 2.640 1.532 1.191 1.00 1.22 C ATOM 1585 CD2 LEU A 108 3.601 -0.449 2.308 1.00 1.23 C ATOM 0 H LEU A 108 5.625 -0.321 -2.078 1.00 0.18 H new ATOM 0 HA LEU A 108 3.696 1.653 -1.295 1.00 0.22 H new ATOM 0 HB2 LEU A 108 3.710 -0.579 -0.328 1.00 0.34 H new ATOM 0 HB3 LEU A 108 5.357 -0.369 0.233 1.00 0.34 H new ATOM 0 HG LEU A 108 4.666 1.341 1.809 1.00 0.52 H new ATOM 0 HD11 LEU A 108 2.298 1.900 2.158 1.00 1.22 H new ATOM 0 HD12 LEU A 108 2.859 2.377 0.538 1.00 1.22 H new ATOM 0 HD13 LEU A 108 1.861 0.917 0.740 1.00 1.22 H new ATOM 0 HD21 LEU A 108 3.228 -0.064 3.257 1.00 1.23 H new ATOM 0 HD22 LEU A 108 2.848 -1.095 1.858 1.00 1.23 H new ATOM 0 HD23 LEU A 108 4.513 -1.021 2.482 1.00 1.23 H new ATOM 1597 N ALA A 109 6.876 2.119 -0.573 1.00 0.19 N ATOM 1598 CA ALA A 109 7.834 3.142 -0.143 1.00 0.19 C ATOM 1599 C ALA A 109 7.535 4.490 -0.801 1.00 0.19 C ATOM 1600 O ALA A 109 7.302 5.495 -0.119 1.00 0.20 O ATOM 1601 CB ALA A 109 9.256 2.718 -0.472 1.00 0.22 C ATOM 0 H ALA A 109 7.305 1.259 -0.915 1.00 0.19 H new ATOM 0 HA ALA A 109 7.734 3.252 0.937 1.00 0.19 H new ATOM 0 HB1 ALA A 109 9.951 3.491 -0.145 1.00 0.22 H new ATOM 0 HB2 ALA A 109 9.485 1.784 0.041 1.00 0.22 H new ATOM 0 HB3 ALA A 109 9.353 2.575 -1.548 1.00 0.22 H new ATOM 1607 N ASN A 110 7.506 4.492 -2.129 1.00 0.19 N ATOM 1608 CA ASN A 110 7.294 5.711 -2.894 1.00 0.19 C ATOM 1609 C ASN A 110 5.838 6.145 -2.799 1.00 0.20 C ATOM 1610 O ASN A 110 5.518 7.324 -2.956 1.00 0.23 O ATOM 1611 CB ASN A 110 7.691 5.513 -4.360 1.00 0.21 C ATOM 1612 CG ASN A 110 7.929 6.832 -5.082 1.00 0.29 C ATOM 1613 OD1 ASN A 110 9.042 7.349 -5.098 1.00 1.18 O ATOM 1614 ND2 ASN A 110 6.886 7.389 -5.681 1.00 1.11 N ATOM 0 H ASN A 110 7.628 3.655 -2.700 1.00 0.19 H new ATOM 0 HA ASN A 110 7.926 6.492 -2.472 1.00 0.19 H new ATOM 0 HB2 ASN A 110 8.596 4.907 -4.410 1.00 0.21 H new ATOM 0 HB3 ASN A 110 6.906 4.957 -4.874 1.00 0.21 H new ATOM 0 HD21 ASN A 110 6.995 8.275 -6.175 1.00 1.11 H new ATOM 0 HD22 ASN A 110 5.975 6.932 -5.648 1.00 1.11 H new ATOM 1621 N HIS A 111 4.946 5.189 -2.525 1.00 0.23 N ATOM 1622 CA HIS A 111 3.537 5.522 -2.371 1.00 0.25 C ATOM 1623 C HIS A 111 3.330 6.302 -1.086 1.00 0.24 C ATOM 1624 O HIS A 111 2.598 7.285 -1.060 1.00 0.26 O ATOM 1625 CB HIS A 111 2.632 4.287 -2.367 1.00 0.30 C ATOM 1626 CG HIS A 111 1.183 4.662 -2.302 1.00 0.32 C ATOM 1627 ND1 HIS A 111 0.494 5.178 -3.375 1.00 0.41 N ATOM 1628 CD2 HIS A 111 0.302 4.616 -1.278 1.00 0.39 C ATOM 1629 CE1 HIS A 111 -0.746 5.440 -3.014 1.00 0.49 C ATOM 1630 NE2 HIS A 111 -0.892 5.102 -1.745 1.00 0.47 N ATOM 0 H HIS A 111 5.172 4.201 -2.408 1.00 0.23 H new ATOM 0 HA HIS A 111 3.258 6.127 -3.234 1.00 0.25 H new ATOM 0 HB2 HIS A 111 2.816 3.698 -3.266 1.00 0.30 H new ATOM 0 HB3 HIS A 111 2.883 3.655 -1.515 1.00 0.30 H new ATOM 0 HD1 HIS A 111 0.882 5.334 -4.305 1.00 0.41 H new ATOM 0 HD2 HIS A 111 0.502 4.262 -0.277 1.00 0.39 H new ATOM 0 HE1 HIS A 111 -1.513 5.860 -3.648 1.00 0.49 H new ATOM 1639 N LEU A 112 3.985 5.854 -0.032 1.00 0.25 N ATOM 1640 CA LEU A 112 3.899 6.503 1.261 1.00 0.28 C ATOM 1641 C LEU A 112 4.550 7.884 1.191 1.00 0.25 C ATOM 1642 O LEU A 112 4.134 8.817 1.877 1.00 0.27 O ATOM 1643 CB LEU A 112 4.568 5.629 2.328 1.00 0.35 C ATOM 1644 CG LEU A 112 3.860 4.296 2.638 1.00 0.44 C ATOM 1645 CD1 LEU A 112 4.625 3.523 3.701 1.00 0.55 C ATOM 1646 CD2 LEU A 112 2.442 4.560 3.106 1.00 0.54 C ATOM 0 H LEU A 112 4.590 5.033 -0.048 1.00 0.25 H new ATOM 0 HA LEU A 112 2.852 6.633 1.536 1.00 0.28 H new ATOM 0 HB2 LEU A 112 5.587 5.412 2.008 1.00 0.35 H new ATOM 0 HB3 LEU A 112 4.640 6.205 3.251 1.00 0.35 H new ATOM 0 HG LEU A 112 3.829 3.697 1.728 1.00 0.44 H new ATOM 0 HD11 LEU A 112 4.112 2.584 3.908 1.00 0.55 H new ATOM 0 HD12 LEU A 112 5.633 3.314 3.344 1.00 0.55 H new ATOM 0 HD13 LEU A 112 4.679 4.116 4.614 1.00 0.55 H new ATOM 0 HD21 LEU A 112 1.948 3.613 3.323 1.00 0.54 H new ATOM 0 HD22 LEU A 112 2.464 5.172 4.007 1.00 0.54 H new ATOM 0 HD23 LEU A 112 1.893 5.085 2.324 1.00 0.54 H new ATOM 1658 N ILE A 113 5.565 7.996 0.340 1.00 0.26 N ATOM 1659 CA ILE A 113 6.167 9.285 0.017 1.00 0.26 C ATOM 1660 C ILE A 113 5.134 10.221 -0.614 1.00 0.26 C ATOM 1661 O ILE A 113 5.035 11.396 -0.247 1.00 0.32 O ATOM 1662 CB ILE A 113 7.362 9.089 -0.939 1.00 0.27 C ATOM 1663 CG1 ILE A 113 8.533 8.476 -0.170 1.00 0.28 C ATOM 1664 CG2 ILE A 113 7.765 10.400 -1.598 1.00 0.33 C ATOM 1665 CD1 ILE A 113 9.724 8.113 -1.031 1.00 0.81 C ATOM 0 H ILE A 113 5.990 7.204 -0.141 1.00 0.26 H new ATOM 0 HA ILE A 113 6.524 9.740 0.941 1.00 0.26 H new ATOM 0 HB ILE A 113 7.066 8.409 -1.737 1.00 0.27 H new ATOM 0 HG12 ILE A 113 8.856 9.179 0.598 1.00 0.28 H new ATOM 0 HG13 ILE A 113 8.185 7.580 0.344 1.00 0.28 H new ATOM 0 HG21 ILE A 113 8.609 10.227 -2.265 1.00 0.33 H new ATOM 0 HG22 ILE A 113 6.925 10.793 -2.170 1.00 0.33 H new ATOM 0 HG23 ILE A 113 8.050 11.120 -0.831 1.00 0.33 H new ATOM 0 HD11 ILE A 113 10.508 7.685 -0.406 1.00 0.81 H new ATOM 0 HD12 ILE A 113 9.421 7.384 -1.783 1.00 0.81 H new ATOM 0 HD13 ILE A 113 10.102 9.008 -1.525 1.00 0.81 H new ATOM 1677 N LYS A 114 4.360 9.703 -1.560 1.00 0.25 N ATOM 1678 CA LYS A 114 3.299 10.497 -2.157 1.00 0.31 C ATOM 1679 C LYS A 114 2.230 10.828 -1.116 1.00 0.32 C ATOM 1680 O LYS A 114 1.728 11.946 -1.078 1.00 0.41 O ATOM 1681 CB LYS A 114 2.688 9.786 -3.372 1.00 0.45 C ATOM 1682 CG LYS A 114 1.223 10.124 -3.580 1.00 0.86 C ATOM 1683 CD LYS A 114 0.806 10.073 -5.041 1.00 1.30 C ATOM 1684 CE LYS A 114 0.842 8.665 -5.599 1.00 1.59 C ATOM 1685 NZ LYS A 114 0.369 8.631 -7.005 1.00 2.22 N ATOM 0 H LYS A 114 4.446 8.754 -1.924 1.00 0.25 H new ATOM 0 HA LYS A 114 3.733 11.432 -2.511 1.00 0.31 H new ATOM 0 HB2 LYS A 114 3.249 10.059 -4.266 1.00 0.45 H new ATOM 0 HB3 LYS A 114 2.793 8.708 -3.246 1.00 0.45 H new ATOM 0 HG2 LYS A 114 0.610 9.428 -3.008 1.00 0.86 H new ATOM 0 HG3 LYS A 114 1.026 11.121 -3.186 1.00 0.86 H new ATOM 0 HD2 LYS A 114 -0.201 10.477 -5.144 1.00 1.30 H new ATOM 0 HD3 LYS A 114 1.467 10.711 -5.628 1.00 1.30 H new ATOM 0 HE2 LYS A 114 1.859 8.276 -5.545 1.00 1.59 H new ATOM 0 HE3 LYS A 114 0.219 8.013 -4.987 1.00 1.59 H new ATOM 0 HZ1 LYS A 114 -0.554 8.153 -7.049 1.00 2.22 H new ATOM 0 HZ2 LYS A 114 0.273 9.603 -7.363 1.00 2.22 H new ATOM 0 HZ3 LYS A 114 1.055 8.113 -7.590 1.00 2.22 H new ATOM 1699 N VAL A 115 1.915 9.863 -0.256 1.00 0.30 N ATOM 1700 CA VAL A 115 0.921 10.053 0.800 1.00 0.35 C ATOM 1701 C VAL A 115 1.282 11.235 1.698 1.00 0.35 C ATOM 1702 O VAL A 115 0.436 12.084 1.983 1.00 0.42 O ATOM 1703 CB VAL A 115 0.763 8.775 1.655 1.00 0.41 C ATOM 1704 CG1 VAL A 115 -0.076 9.039 2.892 1.00 0.49 C ATOM 1705 CG2 VAL A 115 0.144 7.659 0.835 1.00 0.47 C ATOM 0 H VAL A 115 2.337 8.934 -0.269 1.00 0.30 H new ATOM 0 HA VAL A 115 -0.029 10.267 0.311 1.00 0.35 H new ATOM 0 HB VAL A 115 1.758 8.468 1.978 1.00 0.41 H new ATOM 0 HG11 VAL A 115 -0.168 8.121 3.472 1.00 0.49 H new ATOM 0 HG12 VAL A 115 0.404 9.806 3.500 1.00 0.49 H new ATOM 0 HG13 VAL A 115 -1.067 9.381 2.593 1.00 0.49 H new ATOM 0 HG21 VAL A 115 0.041 6.767 1.453 1.00 0.47 H new ATOM 0 HG22 VAL A 115 -0.838 7.970 0.480 1.00 0.47 H new ATOM 0 HG23 VAL A 115 0.784 7.436 -0.018 1.00 0.47 H new ATOM 1715 N LYS A 116 2.543 11.306 2.118 1.00 0.35 N ATOM 1716 CA LYS A 116 2.998 12.404 2.965 1.00 0.45 C ATOM 1717 C LYS A 116 2.964 13.718 2.179 1.00 0.48 C ATOM 1718 O LYS A 116 2.785 14.797 2.749 1.00 0.63 O ATOM 1719 CB LYS A 116 4.418 12.129 3.465 1.00 0.59 C ATOM 1720 CG LYS A 116 5.470 12.431 2.419 1.00 0.77 C ATOM 1721 CD LYS A 116 6.775 11.715 2.679 1.00 0.79 C ATOM 1722 CE LYS A 116 7.757 11.976 1.550 1.00 1.68 C ATOM 1723 NZ LYS A 116 8.023 13.428 1.342 1.00 1.91 N ATOM 0 H LYS A 116 3.263 10.621 1.887 1.00 0.35 H new ATOM 0 HA LYS A 116 2.333 12.487 3.824 1.00 0.45 H new ATOM 0 HB2 LYS A 116 4.610 12.731 4.353 1.00 0.59 H new ATOM 0 HB3 LYS A 116 4.498 11.084 3.765 1.00 0.59 H new ATOM 0 HG2 LYS A 116 5.093 12.145 1.437 1.00 0.77 H new ATOM 0 HG3 LYS A 116 5.650 13.506 2.390 1.00 0.77 H new ATOM 0 HD2 LYS A 116 7.200 12.052 3.624 1.00 0.79 H new ATOM 0 HD3 LYS A 116 6.597 10.644 2.774 1.00 0.79 H new ATOM 0 HE2 LYS A 116 8.696 11.466 1.766 1.00 1.68 H new ATOM 0 HE3 LYS A 116 7.366 11.547 0.628 1.00 1.68 H new ATOM 0 HZ1 LYS A 116 7.747 13.696 0.376 1.00 1.91 H new ATOM 0 HZ2 LYS A 116 7.471 13.984 2.026 1.00 1.91 H new ATOM 0 HZ3 LYS A 116 9.036 13.618 1.479 1.00 1.91 H new ATOM 1737 N LEU A 117 3.125 13.611 0.859 1.00 0.43 N ATOM 1738 CA LEU A 117 3.148 14.780 -0.014 1.00 0.53 C ATOM 1739 C LEU A 117 1.729 15.259 -0.325 1.00 0.60 C ATOM 1740 O LEU A 117 1.529 16.398 -0.754 1.00 0.73 O ATOM 1741 CB LEU A 117 3.897 14.449 -1.310 1.00 0.54 C ATOM 1742 CG LEU A 117 4.123 15.626 -2.261 1.00 0.68 C ATOM 1743 CD1 LEU A 117 4.994 16.687 -1.608 1.00 1.28 C ATOM 1744 CD2 LEU A 117 4.754 15.144 -3.556 1.00 1.17 C ATOM 0 H LEU A 117 3.242 12.722 0.372 1.00 0.43 H new ATOM 0 HA LEU A 117 3.669 15.586 0.502 1.00 0.53 H new ATOM 0 HB2 LEU A 117 4.866 14.024 -1.050 1.00 0.54 H new ATOM 0 HB3 LEU A 117 3.342 13.676 -1.842 1.00 0.54 H new ATOM 0 HG LEU A 117 3.156 16.073 -2.490 1.00 0.68 H new ATOM 0 HD11 LEU A 117 5.142 17.514 -2.302 1.00 1.28 H new ATOM 0 HD12 LEU A 117 4.506 17.054 -0.705 1.00 1.28 H new ATOM 0 HD13 LEU A 117 5.960 16.255 -1.348 1.00 1.28 H new ATOM 0 HD21 LEU A 117 4.909 15.992 -4.223 1.00 1.17 H new ATOM 0 HD22 LEU A 117 5.713 14.672 -3.340 1.00 1.17 H new ATOM 0 HD23 LEU A 117 4.094 14.421 -4.035 1.00 1.17 H new ATOM 1756 N GLU A 118 0.744 14.395 -0.092 1.00 0.57 N ATOM 1757 CA GLU A 118 -0.653 14.750 -0.327 1.00 0.70 C ATOM 1758 C GLU A 118 -1.168 15.671 0.774 1.00 0.79 C ATOM 1759 O GLU A 118 -2.328 16.076 0.770 1.00 0.95 O ATOM 1760 CB GLU A 118 -1.526 13.495 -0.444 1.00 0.75 C ATOM 1761 CG GLU A 118 -1.148 12.627 -1.637 1.00 0.78 C ATOM 1762 CD GLU A 118 -2.115 11.492 -1.891 1.00 1.27 C ATOM 1763 OE1 GLU A 118 -1.986 10.446 -1.220 1.00 1.78 O ATOM 1764 OE2 GLU A 118 -3.022 11.645 -2.735 1.00 1.99 O ATOM 0 H GLU A 118 0.886 13.448 0.258 1.00 0.57 H new ATOM 0 HA GLU A 118 -0.711 15.287 -1.274 1.00 0.70 H new ATOM 0 HB2 GLU A 118 -1.436 12.908 0.470 1.00 0.75 H new ATOM 0 HB3 GLU A 118 -2.571 13.791 -0.532 1.00 0.75 H new ATOM 0 HG2 GLU A 118 -1.093 13.253 -2.528 1.00 0.78 H new ATOM 0 HG3 GLU A 118 -0.152 12.215 -1.475 1.00 0.78 H new ATOM 1771 N GLY A 119 -0.299 15.998 1.722 1.00 0.75 N ATOM 1772 CA GLY A 119 -0.628 17.009 2.698 1.00 0.86 C ATOM 1773 C GLY A 119 -0.847 16.443 4.078 1.00 0.87 C ATOM 1774 O GLY A 119 -1.202 17.174 5.001 1.00 1.01 O ATOM 0 H GLY A 119 0.625 15.580 1.829 1.00 0.75 H new ATOM 0 HA2 GLY A 119 0.175 17.745 2.736 1.00 0.86 H new ATOM 0 HA3 GLY A 119 -1.528 17.535 2.380 1.00 0.86 H new ATOM 1778 N HIS A 120 -0.637 15.147 4.237 1.00 0.80 N ATOM 1779 CA HIS A 120 -0.812 14.531 5.534 1.00 0.84 C ATOM 1780 C HIS A 120 0.277 13.496 5.773 1.00 0.81 C ATOM 1781 O HIS A 120 0.614 12.714 4.885 1.00 0.84 O ATOM 1782 CB HIS A 120 -2.225 13.926 5.664 1.00 0.86 C ATOM 1783 CG HIS A 120 -2.348 12.474 5.308 1.00 0.77 C ATOM 1784 ND1 HIS A 120 -2.457 11.492 6.265 1.00 0.76 N ATOM 1785 CD2 HIS A 120 -2.405 11.840 4.109 1.00 0.81 C ATOM 1786 CE1 HIS A 120 -2.583 10.321 5.679 1.00 0.83 C ATOM 1787 NE2 HIS A 120 -2.558 10.499 4.371 1.00 0.87 N ATOM 0 H HIS A 120 -0.349 14.511 3.493 1.00 0.80 H new ATOM 0 HA HIS A 120 -0.719 15.294 6.307 1.00 0.84 H new ATOM 0 HB2 HIS A 120 -2.564 14.059 6.692 1.00 0.86 H new ATOM 0 HB3 HIS A 120 -2.903 14.495 5.029 1.00 0.86 H new ATOM 0 HD1 HIS A 120 -2.442 11.648 7.273 1.00 0.76 H new ATOM 0 HD2 HIS A 120 -2.342 12.301 3.135 1.00 0.81 H new ATOM 0 HE1 HIS A 120 -2.689 9.372 6.184 1.00 0.83 H new ATOM 1796 N GLU A 121 0.845 13.531 6.968 1.00 0.93 N ATOM 1797 CA GLU A 121 1.906 12.609 7.352 1.00 1.01 C ATOM 1798 C GLU A 121 1.359 11.198 7.552 1.00 0.79 C ATOM 1799 O GLU A 121 0.148 11.002 7.682 1.00 0.71 O ATOM 1800 CB GLU A 121 2.575 13.086 8.642 1.00 1.31 C ATOM 1801 CG GLU A 121 1.631 13.146 9.835 1.00 1.55 C ATOM 1802 CD GLU A 121 2.355 13.409 11.138 1.00 2.15 C ATOM 1803 OE1 GLU A 121 2.879 12.449 11.738 1.00 2.75 O ATOM 1804 OE2 GLU A 121 2.395 14.577 11.569 1.00 2.52 O ATOM 0 H GLU A 121 0.586 14.196 7.697 1.00 0.93 H new ATOM 0 HA GLU A 121 2.641 12.586 6.547 1.00 1.01 H new ATOM 0 HB2 GLU A 121 3.404 12.419 8.879 1.00 1.31 H new ATOM 0 HB3 GLU A 121 3.000 14.076 8.476 1.00 1.31 H new ATOM 0 HG2 GLU A 121 0.892 13.930 9.670 1.00 1.55 H new ATOM 0 HG3 GLU A 121 1.086 12.205 9.910 1.00 1.55 H new ATOM 1811 N LEU A 122 2.255 10.215 7.574 1.00 0.92 N ATOM 1812 CA LEU A 122 1.858 8.834 7.811 1.00 0.87 C ATOM 1813 C LEU A 122 1.411 8.661 9.256 1.00 0.82 C ATOM 1814 O LEU A 122 2.095 9.115 10.176 1.00 0.95 O ATOM 1815 CB LEU A 122 3.003 7.870 7.531 1.00 1.18 C ATOM 1816 CG LEU A 122 3.726 8.071 6.204 1.00 1.80 C ATOM 1817 CD1 LEU A 122 4.739 6.963 5.982 1.00 2.45 C ATOM 1818 CD2 LEU A 122 2.733 8.114 5.063 1.00 2.70 C ATOM 0 H LEU A 122 3.256 10.350 7.431 1.00 0.92 H new ATOM 0 HA LEU A 122 1.035 8.607 7.133 1.00 0.87 H new ATOM 0 HB2 LEU A 122 3.731 7.956 8.337 1.00 1.18 H new ATOM 0 HB3 LEU A 122 2.613 6.853 7.561 1.00 1.18 H new ATOM 0 HG LEU A 122 4.255 9.023 6.238 1.00 1.80 H new ATOM 0 HD11 LEU A 122 5.247 7.120 5.031 1.00 2.45 H new ATOM 0 HD12 LEU A 122 5.471 6.972 6.790 1.00 2.45 H new ATOM 0 HD13 LEU A 122 4.228 6.000 5.966 1.00 2.45 H new ATOM 0 HD21 LEU A 122 3.265 8.258 4.123 1.00 2.70 H new ATOM 0 HD22 LEU A 122 2.180 7.176 5.027 1.00 2.70 H new ATOM 0 HD23 LEU A 122 2.038 8.939 5.217 1.00 2.70 H new ATOM 1830 N PRO A 123 0.285 7.981 9.477 1.00 0.77 N ATOM 1831 CA PRO A 123 -0.304 7.838 10.797 1.00 0.88 C ATOM 1832 C PRO A 123 0.141 6.569 11.517 1.00 0.92 C ATOM 1833 O PRO A 123 -0.469 6.171 12.508 1.00 1.10 O ATOM 1834 CB PRO A 123 -1.792 7.781 10.474 1.00 1.00 C ATOM 1835 CG PRO A 123 -1.875 7.130 9.125 1.00 0.95 C ATOM 1836 CD PRO A 123 -0.523 7.293 8.458 1.00 0.79 C ATOM 0 HA PRO A 123 -0.013 8.642 11.473 1.00 0.88 H new ATOM 0 HB2 PRO A 123 -2.336 7.206 11.223 1.00 1.00 H new ATOM 0 HB3 PRO A 123 -2.230 8.779 10.458 1.00 1.00 H new ATOM 0 HG2 PRO A 123 -2.130 6.075 9.223 1.00 0.95 H new ATOM 0 HG3 PRO A 123 -2.658 7.592 8.523 1.00 0.95 H new ATOM 0 HD2 PRO A 123 -0.091 6.330 8.187 1.00 0.79 H new ATOM 0 HD3 PRO A 123 -0.596 7.879 7.542 1.00 0.79 H new ATOM 1844 N ALA A 124 1.205 5.941 11.008 1.00 0.89 N ATOM 1845 CA ALA A 124 1.744 4.703 11.579 1.00 1.09 C ATOM 1846 C ALA A 124 0.710 3.576 11.526 1.00 1.10 C ATOM 1847 O ALA A 124 0.819 2.577 12.236 1.00 1.27 O ATOM 1848 CB ALA A 124 2.224 4.925 13.009 1.00 1.34 C ATOM 0 H ALA A 124 1.716 6.275 10.191 1.00 0.89 H new ATOM 0 HA ALA A 124 2.601 4.405 10.975 1.00 1.09 H new ATOM 0 HB1 ALA A 124 2.619 3.991 13.409 1.00 1.34 H new ATOM 0 HB2 ALA A 124 3.007 5.683 13.016 1.00 1.34 H new ATOM 0 HB3 ALA A 124 1.389 5.260 13.625 1.00 1.34 H new ATOM 1854 N ASP A 125 -0.279 3.745 10.661 1.00 1.00 N ATOM 1855 CA ASP A 125 -1.333 2.759 10.488 1.00 1.03 C ATOM 1856 C ASP A 125 -1.103 1.989 9.200 1.00 0.87 C ATOM 1857 O ASP A 125 -1.179 2.551 8.107 1.00 0.90 O ATOM 1858 CB ASP A 125 -2.704 3.443 10.448 1.00 1.22 C ATOM 1859 CG ASP A 125 -3.856 2.460 10.336 1.00 1.72 C ATOM 1860 OD1 ASP A 125 -4.260 2.134 9.203 1.00 2.14 O ATOM 1861 OD2 ASP A 125 -4.385 2.032 11.387 1.00 2.36 O ATOM 0 H ASP A 125 -0.373 4.566 10.062 1.00 1.00 H new ATOM 0 HA ASP A 125 -1.313 2.069 11.332 1.00 1.03 H new ATOM 0 HB2 ASP A 125 -2.831 4.042 11.350 1.00 1.22 H new ATOM 0 HB3 ASP A 125 -2.736 4.130 9.602 1.00 1.22 H new ATOM 1866 N LEU A 126 -0.775 0.717 9.335 1.00 0.81 N ATOM 1867 CA LEU A 126 -0.569 -0.143 8.182 1.00 0.73 C ATOM 1868 C LEU A 126 -1.666 -1.194 8.115 1.00 0.76 C ATOM 1869 O LEU A 126 -1.630 -2.192 8.840 1.00 0.86 O ATOM 1870 CB LEU A 126 0.804 -0.819 8.245 1.00 0.75 C ATOM 1871 CG LEU A 126 1.169 -1.657 7.018 1.00 0.94 C ATOM 1872 CD1 LEU A 126 1.212 -0.792 5.774 1.00 1.67 C ATOM 1873 CD2 LEU A 126 2.502 -2.357 7.227 1.00 1.83 C ATOM 0 H LEU A 126 -0.645 0.254 10.235 1.00 0.81 H new ATOM 0 HA LEU A 126 -0.607 0.472 7.283 1.00 0.73 H new ATOM 0 HB2 LEU A 126 1.565 -0.050 8.381 1.00 0.75 H new ATOM 0 HB3 LEU A 126 0.837 -1.459 9.126 1.00 0.75 H new ATOM 0 HG LEU A 126 0.399 -2.416 6.881 1.00 0.94 H new ATOM 0 HD11 LEU A 126 1.473 -1.406 4.912 1.00 1.67 H new ATOM 0 HD12 LEU A 126 0.234 -0.338 5.613 1.00 1.67 H new ATOM 0 HD13 LEU A 126 1.959 -0.009 5.901 1.00 1.67 H new ATOM 0 HD21 LEU A 126 2.745 -2.948 6.344 1.00 1.83 H new ATOM 0 HD22 LEU A 126 3.282 -1.613 7.392 1.00 1.83 H new ATOM 0 HD23 LEU A 126 2.437 -3.012 8.096 1.00 1.83 H new ATOM 1885 N PRO A 127 -2.678 -0.984 7.263 1.00 0.77 N ATOM 1886 CA PRO A 127 -3.795 -1.890 7.127 1.00 0.89 C ATOM 1887 C PRO A 127 -3.511 -2.964 6.083 1.00 0.85 C ATOM 1888 O PRO A 127 -2.655 -2.776 5.213 1.00 0.77 O ATOM 1889 CB PRO A 127 -4.939 -0.968 6.665 1.00 1.00 C ATOM 1890 CG PRO A 127 -4.320 0.371 6.403 1.00 0.91 C ATOM 1891 CD PRO A 127 -2.836 0.148 6.351 1.00 0.78 C ATOM 0 HA PRO A 127 -4.019 -2.429 8.048 1.00 0.89 H new ATOM 0 HB2 PRO A 127 -5.415 -1.359 5.766 1.00 1.00 H new ATOM 0 HB3 PRO A 127 -5.713 -0.896 7.429 1.00 1.00 H new ATOM 0 HG2 PRO A 127 -4.683 0.790 5.465 1.00 0.91 H new ATOM 0 HG3 PRO A 127 -4.579 1.080 7.190 1.00 0.91 H new ATOM 0 HD2 PRO A 127 -2.492 -0.086 5.344 1.00 0.78 H new ATOM 0 HD3 PRO A 127 -2.278 1.023 6.683 1.00 0.78 H new ATOM 1899 N PRO A 128 -4.236 -4.091 6.128 1.00 0.99 N ATOM 1900 CA PRO A 128 -4.066 -5.187 5.164 1.00 1.06 C ATOM 1901 C PRO A 128 -4.519 -4.816 3.743 1.00 1.01 C ATOM 1902 O PRO A 128 -4.920 -5.680 2.967 1.00 1.15 O ATOM 1903 CB PRO A 128 -4.941 -6.308 5.733 1.00 1.27 C ATOM 1904 CG PRO A 128 -5.938 -5.621 6.598 1.00 1.34 C ATOM 1905 CD PRO A 128 -5.255 -4.401 7.148 1.00 1.15 C ATOM 0 HA PRO A 128 -3.016 -5.460 5.054 1.00 1.06 H new ATOM 0 HB2 PRO A 128 -5.430 -6.869 4.937 1.00 1.27 H new ATOM 0 HB3 PRO A 128 -4.347 -7.020 6.306 1.00 1.27 H new ATOM 0 HG2 PRO A 128 -6.824 -5.345 6.026 1.00 1.34 H new ATOM 0 HG3 PRO A 128 -6.270 -6.276 7.403 1.00 1.34 H new ATOM 0 HD2 PRO A 128 -5.954 -3.575 7.282 1.00 1.15 H new ATOM 0 HD3 PRO A 128 -4.803 -4.597 8.120 1.00 1.15 H new ATOM 1913 N HIS A 129 -4.438 -3.529 3.401 1.00 0.95 N ATOM 1914 CA HIS A 129 -4.723 -3.086 2.041 1.00 0.96 C ATOM 1915 C HIS A 129 -3.412 -2.870 1.311 1.00 0.94 C ATOM 1916 O HIS A 129 -3.349 -2.966 0.092 1.00 1.22 O ATOM 1917 CB HIS A 129 -5.466 -1.736 1.996 1.00 1.07 C ATOM 1918 CG HIS A 129 -6.692 -1.595 2.845 1.00 1.11 C ATOM 1919 ND1 HIS A 129 -6.811 -2.103 4.118 1.00 1.27 N ATOM 1920 CD2 HIS A 129 -7.831 -0.912 2.607 1.00 1.27 C ATOM 1921 CE1 HIS A 129 -7.969 -1.728 4.629 1.00 1.45 C ATOM 1922 NE2 HIS A 129 -8.609 -1.011 3.727 1.00 1.48 N ATOM 0 H HIS A 129 -4.179 -2.781 4.045 1.00 0.95 H new ATOM 0 HA HIS A 129 -5.346 -3.856 1.586 1.00 0.96 H new ATOM 0 HB2 HIS A 129 -4.763 -0.955 2.287 1.00 1.07 H new ATOM 0 HB3 HIS A 129 -5.749 -1.541 0.961 1.00 1.07 H new ATOM 0 HD2 HIS A 129 -8.082 -0.384 1.699 1.00 1.27 H new ATOM 0 HE1 HIS A 129 -8.331 -1.968 5.618 1.00 1.45 H new ATOM 0 HE2 HIS A 129 -9.534 -0.597 3.845 1.00 1.48 H new ATOM 1931 N LEU A 130 -2.355 -2.597 2.077 1.00 0.73 N ATOM 1932 CA LEU A 130 -1.113 -2.104 1.493 1.00 0.69 C ATOM 1933 C LEU A 130 0.073 -2.938 1.930 1.00 0.69 C ATOM 1934 O LEU A 130 1.216 -2.580 1.662 1.00 0.72 O ATOM 1935 CB LEU A 130 -0.852 -0.650 1.907 1.00 0.75 C ATOM 1936 CG LEU A 130 -2.078 0.159 2.296 1.00 0.81 C ATOM 1937 CD1 LEU A 130 -1.657 1.476 2.904 1.00 1.27 C ATOM 1938 CD2 LEU A 130 -3.011 0.413 1.135 1.00 1.29 C ATOM 0 H LEU A 130 -2.336 -2.708 3.091 1.00 0.73 H new ATOM 0 HA LEU A 130 -1.228 -2.171 0.411 1.00 0.69 H new ATOM 0 HB2 LEU A 130 -0.159 -0.651 2.748 1.00 0.75 H new ATOM 0 HB3 LEU A 130 -0.352 -0.142 1.083 1.00 0.75 H new ATOM 0 HG LEU A 130 -2.627 -0.436 3.025 1.00 0.81 H new ATOM 0 HD11 LEU A 130 -2.542 2.049 3.180 1.00 1.27 H new ATOM 0 HD12 LEU A 130 -1.054 1.290 3.793 1.00 1.27 H new ATOM 0 HD13 LEU A 130 -1.071 2.041 2.179 1.00 1.27 H new ATOM 0 HD21 LEU A 130 -3.867 0.995 1.477 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -2.483 0.966 0.358 1.00 1.29 H new ATOM 0 HD23 LEU A 130 -3.357 -0.539 0.732 1.00 1.29 H new ATOM 1950 N VAL A 131 -0.175 -4.032 2.623 1.00 0.76 N ATOM 1951 CA VAL A 131 0.915 -4.897 3.004 1.00 0.84 C ATOM 1952 C VAL A 131 1.399 -5.639 1.753 1.00 0.76 C ATOM 1953 O VAL A 131 0.610 -6.289 1.064 1.00 0.76 O ATOM 1954 CB VAL A 131 0.523 -5.872 4.142 1.00 1.05 C ATOM 1955 CG1 VAL A 131 -0.388 -6.978 3.655 1.00 1.72 C ATOM 1956 CG2 VAL A 131 1.760 -6.450 4.806 1.00 1.59 C ATOM 0 H VAL A 131 -1.100 -4.335 2.926 1.00 0.76 H new ATOM 0 HA VAL A 131 1.728 -4.294 3.409 1.00 0.84 H new ATOM 0 HB VAL A 131 -0.033 -5.296 4.882 1.00 1.05 H new ATOM 0 HG11 VAL A 131 -0.637 -7.637 4.487 1.00 1.72 H new ATOM 0 HG12 VAL A 131 -1.302 -6.544 3.250 1.00 1.72 H new ATOM 0 HG13 VAL A 131 0.118 -7.550 2.877 1.00 1.72 H new ATOM 0 HG21 VAL A 131 1.461 -7.132 5.602 1.00 1.59 H new ATOM 0 HG22 VAL A 131 2.350 -6.992 4.067 1.00 1.59 H new ATOM 0 HG23 VAL A 131 2.358 -5.642 5.226 1.00 1.59 H new ATOM 1966 N PRO A 132 2.686 -5.473 1.397 1.00 0.78 N ATOM 1967 CA PRO A 132 3.253 -6.058 0.180 1.00 0.79 C ATOM 1968 C PRO A 132 2.900 -7.552 0.005 1.00 0.83 C ATOM 1969 O PRO A 132 2.668 -8.255 0.986 1.00 0.85 O ATOM 1970 CB PRO A 132 4.750 -5.843 0.350 1.00 0.90 C ATOM 1971 CG PRO A 132 4.880 -4.669 1.255 1.00 1.04 C ATOM 1972 CD PRO A 132 3.669 -4.671 2.144 1.00 0.88 C ATOM 0 HA PRO A 132 2.853 -5.595 -0.722 1.00 0.79 H new ATOM 0 HB2 PRO A 132 5.227 -6.724 0.779 1.00 0.90 H new ATOM 0 HB3 PRO A 132 5.231 -5.655 -0.610 1.00 0.90 H new ATOM 0 HG2 PRO A 132 5.794 -4.735 1.846 1.00 1.04 H new ATOM 0 HG3 PRO A 132 4.938 -3.744 0.682 1.00 1.04 H new ATOM 0 HD2 PRO A 132 3.888 -5.111 3.117 1.00 0.88 H new ATOM 0 HD3 PRO A 132 3.305 -3.660 2.326 1.00 0.88 H new ATOM 1980 N PRO A 133 2.851 -8.050 -1.253 1.00 0.93 N ATOM 1981 CA PRO A 133 2.385 -9.409 -1.588 1.00 1.05 C ATOM 1982 C PRO A 133 2.905 -10.500 -0.657 1.00 1.15 C ATOM 1983 O PRO A 133 2.129 -11.214 -0.037 1.00 1.44 O ATOM 1984 CB PRO A 133 2.920 -9.619 -3.005 1.00 1.25 C ATOM 1985 CG PRO A 133 2.926 -8.254 -3.596 1.00 1.36 C ATOM 1986 CD PRO A 133 3.240 -7.309 -2.465 1.00 1.07 C ATOM 0 HA PRO A 133 1.302 -9.483 -1.492 1.00 1.05 H new ATOM 0 HB2 PRO A 133 3.920 -10.053 -2.993 1.00 1.25 H new ATOM 0 HB3 PRO A 133 2.285 -10.297 -3.575 1.00 1.25 H new ATOM 0 HG2 PRO A 133 3.671 -8.176 -4.387 1.00 1.36 H new ATOM 0 HG3 PRO A 133 1.960 -8.019 -4.043 1.00 1.36 H new ATOM 0 HD2 PRO A 133 4.298 -7.046 -2.448 1.00 1.07 H new ATOM 0 HD3 PRO A 133 2.682 -6.378 -2.558 1.00 1.07 H new ATOM 1994 N SER A 134 4.215 -10.605 -0.533 1.00 1.15 N ATOM 1995 CA SER A 134 4.830 -11.674 0.241 1.00 1.40 C ATOM 1996 C SER A 134 4.543 -11.546 1.744 1.00 1.40 C ATOM 1997 O SER A 134 4.913 -12.419 2.528 1.00 1.65 O ATOM 1998 CB SER A 134 6.337 -11.647 -0.004 1.00 1.64 C ATOM 1999 OG SER A 134 6.615 -11.400 -1.371 1.00 2.30 O ATOM 0 H SER A 134 4.880 -9.960 -0.960 1.00 1.15 H new ATOM 0 HA SER A 134 4.401 -12.622 -0.085 1.00 1.40 H new ATOM 0 HB2 SER A 134 6.797 -10.874 0.612 1.00 1.64 H new ATOM 0 HB3 SER A 134 6.777 -12.598 0.296 1.00 1.64 H new ATOM 0 HG SER A 134 7.585 -11.384 -1.510 1.00 2.30 H new ATOM 2005 N LYS A 135 3.880 -10.465 2.144 1.00 1.23 N ATOM 2006 CA LYS A 135 3.718 -10.170 3.564 1.00 1.34 C ATOM 2007 C LYS A 135 2.252 -10.094 3.986 1.00 1.50 C ATOM 2008 O LYS A 135 1.955 -9.684 5.108 1.00 1.73 O ATOM 2009 CB LYS A 135 4.456 -8.867 3.942 1.00 1.23 C ATOM 2010 CG LYS A 135 4.983 -8.069 2.753 1.00 1.33 C ATOM 2011 CD LYS A 135 6.330 -8.595 2.286 1.00 2.26 C ATOM 2012 CE LYS A 135 6.717 -8.116 0.900 1.00 2.88 C ATOM 2013 NZ LYS A 135 8.192 -8.145 0.689 1.00 3.42 N ATOM 0 H LYS A 135 3.451 -9.787 1.514 1.00 1.23 H new ATOM 0 HA LYS A 135 4.165 -11.002 4.108 1.00 1.34 H new ATOM 0 HB2 LYS A 135 3.779 -8.235 4.516 1.00 1.23 H new ATOM 0 HB3 LYS A 135 5.292 -9.115 4.596 1.00 1.23 H new ATOM 0 HG2 LYS A 135 4.267 -8.119 1.933 1.00 1.33 H new ATOM 0 HG3 LYS A 135 5.077 -7.019 3.030 1.00 1.33 H new ATOM 0 HD2 LYS A 135 7.098 -8.287 2.996 1.00 2.26 H new ATOM 0 HD3 LYS A 135 6.308 -9.685 2.293 1.00 2.26 H new ATOM 0 HE2 LYS A 135 6.232 -8.743 0.152 1.00 2.88 H new ATOM 0 HE3 LYS A 135 6.350 -7.100 0.752 1.00 2.88 H new ATOM 0 HZ1 LYS A 135 8.405 -7.924 -0.305 1.00 3.42 H new ATOM 0 HZ2 LYS A 135 8.645 -7.440 1.305 1.00 3.42 H new ATOM 0 HZ3 LYS A 135 8.557 -9.091 0.919 1.00 3.42 H new ATOM 2027 N ARG A 136 1.339 -10.504 3.115 1.00 1.53 N ATOM 2028 CA ARG A 136 -0.085 -10.483 3.463 1.00 1.89 C ATOM 2029 C ARG A 136 -0.462 -11.763 4.205 1.00 2.31 C ATOM 2030 O ARG A 136 -1.070 -12.664 3.624 1.00 2.51 O ATOM 2031 CB ARG A 136 -0.981 -10.357 2.221 1.00 1.88 C ATOM 2032 CG ARG A 136 -0.286 -9.788 1.000 1.00 1.88 C ATOM 2033 CD ARG A 136 -1.139 -9.923 -0.263 1.00 2.64 C ATOM 2034 NE ARG A 136 -1.895 -11.190 -0.331 1.00 3.30 N ATOM 2035 CZ ARG A 136 -1.373 -12.423 -0.221 1.00 3.86 C ATOM 2036 NH1 ARG A 136 -0.066 -12.604 -0.070 1.00 3.83 N ATOM 2037 NH2 ARG A 136 -2.172 -13.482 -0.284 1.00 4.72 N ATOM 0 H ARG A 136 1.548 -10.850 2.178 1.00 1.53 H new ATOM 0 HA ARG A 136 -0.245 -9.611 4.097 1.00 1.89 H new ATOM 0 HB2 ARG A 136 -1.376 -11.342 1.972 1.00 1.88 H new ATOM 0 HB3 ARG A 136 -1.834 -9.724 2.466 1.00 1.88 H new ATOM 0 HG2 ARG A 136 -0.057 -8.736 1.171 1.00 1.88 H new ATOM 0 HG3 ARG A 136 0.664 -10.302 0.852 1.00 1.88 H new ATOM 0 HD2 ARG A 136 -1.839 -9.089 -0.310 1.00 2.64 H new ATOM 0 HD3 ARG A 136 -0.493 -9.847 -1.138 1.00 2.64 H new ATOM 0 HE ARG A 136 -2.903 -11.123 -0.474 1.00 3.30 H new ATOM 0 HH11 ARG A 136 0.560 -11.799 -0.036 1.00 3.83 H new ATOM 0 HH12 ARG A 136 0.312 -13.548 0.012 1.00 3.83 H new ATOM 0 HH21 ARG A 136 -3.176 -13.356 -0.415 1.00 4.72 H new ATOM 0 HH22 ARG A 136 -1.782 -14.421 -0.201 1.00 4.72 H new ATOM 2051 N ARG A 137 -0.067 -11.865 5.470 1.00 2.57 N ATOM 2052 CA ARG A 137 -0.392 -13.042 6.266 1.00 3.09 C ATOM 2053 C ARG A 137 -0.156 -12.803 7.751 1.00 3.55 C ATOM 2054 O ARG A 137 0.790 -12.113 8.147 1.00 3.60 O ATOM 2055 CB ARG A 137 0.420 -14.259 5.803 1.00 3.10 C ATOM 2056 CG ARG A 137 1.928 -14.087 5.926 1.00 3.11 C ATOM 2057 CD ARG A 137 2.674 -15.334 5.493 1.00 3.08 C ATOM 2058 NE ARG A 137 2.280 -16.500 6.274 1.00 3.71 N ATOM 2059 CZ ARG A 137 2.275 -17.738 5.803 1.00 4.19 C ATOM 2060 NH1 ARG A 137 2.686 -17.985 4.561 1.00 4.19 N ATOM 2061 NH2 ARG A 137 1.865 -18.724 6.586 1.00 5.01 N ATOM 0 H ARG A 137 0.474 -11.154 5.962 1.00 2.57 H new ATOM 0 HA ARG A 137 -1.453 -13.242 6.117 1.00 3.09 H new ATOM 0 HB2 ARG A 137 0.116 -15.128 6.387 1.00 3.10 H new ATOM 0 HB3 ARG A 137 0.174 -14.472 4.763 1.00 3.10 H new ATOM 0 HG2 ARG A 137 2.248 -13.242 5.317 1.00 3.11 H new ATOM 0 HG3 ARG A 137 2.184 -13.851 6.959 1.00 3.11 H new ATOM 0 HD2 ARG A 137 2.483 -15.523 4.437 1.00 3.08 H new ATOM 0 HD3 ARG A 137 3.747 -15.171 5.599 1.00 3.08 H new ATOM 0 HE ARG A 137 1.991 -16.354 7.241 1.00 3.71 H new ATOM 0 HH11 ARG A 137 3.006 -17.219 3.968 1.00 4.19 H new ATOM 0 HH12 ARG A 137 2.680 -18.940 4.202 1.00 4.19 H new ATOM 0 HH21 ARG A 137 1.558 -18.525 7.538 1.00 5.01 H new ATOM 0 HH22 ARG A 137 1.856 -19.682 6.237 1.00 5.01 H new ATOM 2075 N HIS A 138 -1.051 -13.348 8.554 1.00 4.04 N ATOM 2076 CA HIS A 138 -0.871 -13.425 9.991 1.00 4.60 C ATOM 2077 C HIS A 138 -0.815 -14.897 10.393 1.00 5.04 C ATOM 2078 O HIS A 138 -1.814 -15.609 10.278 1.00 5.32 O ATOM 2079 CB HIS A 138 -2.015 -12.701 10.707 1.00 4.93 C ATOM 2080 CG HIS A 138 -1.913 -12.720 12.201 1.00 5.37 C ATOM 2081 ND1 HIS A 138 -1.259 -11.755 12.930 1.00 5.87 N ATOM 2082 CD2 HIS A 138 -2.387 -13.608 13.099 1.00 5.74 C ATOM 2083 CE1 HIS A 138 -1.333 -12.050 14.214 1.00 6.39 C ATOM 2084 NE2 HIS A 138 -2.017 -13.170 14.344 1.00 6.31 N ATOM 0 H HIS A 138 -1.928 -13.752 8.225 1.00 4.04 H new ATOM 0 HA HIS A 138 0.059 -12.936 10.281 1.00 4.60 H new ATOM 0 HB2 HIS A 138 -2.043 -11.665 10.369 1.00 4.93 H new ATOM 0 HB3 HIS A 138 -2.960 -13.158 10.413 1.00 4.93 H new ATOM 0 HD2 HIS A 138 -2.954 -14.500 12.878 1.00 5.74 H new ATOM 0 HE1 HIS A 138 -0.906 -11.473 15.021 1.00 6.39 H new ATOM 0 HE2 HIS A 138 -2.235 -13.634 15.226 1.00 6.31 H new ATOM 2093 N GLU A 139 0.351 -15.332 10.864 1.00 5.24 N ATOM 2094 CA GLU A 139 0.641 -16.752 11.054 1.00 5.77 C ATOM 2095 C GLU A 139 0.588 -17.477 9.710 1.00 6.32 C ATOM 2096 O GLU A 139 -0.314 -18.316 9.507 1.00 6.61 O ATOM 2097 CB GLU A 139 -0.313 -17.415 12.061 1.00 5.85 C ATOM 2098 CG GLU A 139 0.156 -17.347 13.511 1.00 6.19 C ATOM 2099 CD GLU A 139 -0.008 -15.981 14.138 1.00 6.57 C ATOM 2100 OE1 GLU A 139 0.902 -15.137 14.002 1.00 6.91 O ATOM 2101 OE2 GLU A 139 -1.045 -15.748 14.793 1.00 6.83 O ATOM 2102 OXT GLU A 139 1.446 -17.186 8.853 1.00 6.77 O ATOM 0 H GLU A 139 1.119 -14.713 11.124 1.00 5.24 H new ATOM 0 HA GLU A 139 1.645 -16.829 11.471 1.00 5.77 H new ATOM 0 HB2 GLU A 139 -1.290 -16.939 11.985 1.00 5.85 H new ATOM 0 HB3 GLU A 139 -0.446 -18.461 11.783 1.00 5.85 H new ATOM 0 HG2 GLU A 139 -0.401 -18.076 14.099 1.00 6.19 H new ATOM 0 HG3 GLU A 139 1.206 -17.635 13.558 1.00 6.19 H new TER 2109 GLU A 139 HETATM 2110 CA CA A 141 12.012 -4.935 3.094 1.00 0.59 CA