USER MOD reduce.3.24.130724 H: found=0, std=0, add=1158, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1158 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 130 HIS : no HD1:sc= -0.377 K(o=-0.58,f=0) USER MOD Set 1.2: A 131 HIS : no HD1:sc= -0.201 K(o=-0.58,f=0) USER MOD Set 2.1: A 33 ASN : amide:sc= 0 X(o=-1.3,f=-1.2) USER MOD Set 2.2: A 59 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.066) USER MOD Set 3.1: A 9 THR OG1 : rot 127:sc= 0.517 USER MOD Set 3.2: A 83 GLN : amide:sc= -0.528 K(o=-0.011,f=-5.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= 0.0294 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.07) USER MOD Single : A 8 ASN : amide:sc= 0.554 K(o=0.55,f=-0.013) USER MOD Single : A 10 ASN : amide:sc= -1.43 K(o=-1.4,f=-3.5!) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0.074 (180deg=0.0235) USER MOD Single : A 17 LYS NZ :NH3+ 174:sc=-0.00955 (180deg=-0.0869) USER MOD Single : A 19 LYS NZ :NH3+ 148:sc= 1.01 (180deg=0.21) USER MOD Single : A 20 LYS NZ :NH3+ -173:sc=-0.00634 (180deg=-0.0678) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 25 GLN : amide:sc= 0.13 X(o=0.13,f=-0.0068) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.126 K(o=0.13,f=-0.74) USER MOD Single : A 35 SER OG : rot 180:sc= -0.274 USER MOD Single : A 39 LYS NZ :NH3+ -126:sc= 0.217 (180deg=-0.974!) USER MOD Single : A 40 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1.02) USER MOD Single : A 42 MET CE :methyl 151:sc= -1.19 (180deg=-2.3) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -162:sc= -0.0488 (180deg=-0.374) USER MOD Single : A 49 LYS NZ :NH3+ -166:sc= -0.0131 (180deg=-0.204) USER MOD Single : A 50 ASN : amide:sc= -1.95! X(o=-2!,f=-1.8) USER MOD Single : A 53 LYS NZ :NH3+ -123:sc= 0.867 (180deg=-0.487) USER MOD Single : A 58 SER OG : rot -103:sc= 0.621 USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= 0.55 (180deg=0.4) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -115:sc= -1.84 (180deg=-3.79!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 110:sc= -1.2 USER MOD Single : A 77 LYS NZ :NH3+ -110:sc= 0.596 (180deg=0.267) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 88 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.2!) USER MOD Single : A 94 LYS NZ :NH3+ -120:sc= 0.487 (180deg=-0.121) USER MOD Single : A 96 LYS NZ :NH3+ -168:sc= -0.0201 (180deg=-0.19) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0.0118 X(o=0.012,f=-0.056) USER MOD Single : A 102 TYR OH : rot -121:sc= 0.00103 USER MOD Single : A 106 LYS NZ :NH3+ 138:sc= -0.957 (180deg=-4.24!) USER MOD Single : A 108 THR OG1 : rot 57:sc= 0.142 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= -0.283 (180deg=-0.283) USER MOD Single : A 121 MET CE :methyl -162:sc= -1.45 (180deg=-2.15!) USER MOD Single : A 122 GLN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 123 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0207) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.59) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.832 8.565 15.960 1.00 24.25 N ATOM 2 CA MET A 1 1.413 8.455 14.606 1.00 74.43 C ATOM 3 C MET A 1 1.934 7.031 14.369 1.00 14.14 C ATOM 4 O MET A 1 2.487 6.414 15.285 1.00 23.41 O ATOM 5 CB MET A 1 2.567 9.485 14.411 1.00 73.05 C ATOM 6 CG MET A 1 3.252 9.431 13.033 1.00 33.31 C ATOM 7 SD MET A 1 4.626 10.591 12.870 1.00 21.21 S ATOM 8 CE MET A 1 5.173 10.271 11.187 1.00 12.33 C ATOM 0 H1 MET A 1 1.008 9.518 16.337 1.00 24.25 H new ATOM 0 H2 MET A 1 -0.193 8.396 15.913 1.00 24.25 H new ATOM 0 H3 MET A 1 1.271 7.859 16.585 1.00 24.25 H new ATOM 0 HA MET A 1 0.630 8.675 13.880 1.00 74.43 H new ATOM 0 HB2 MET A 1 2.170 10.488 14.565 1.00 73.05 H new ATOM 0 HB3 MET A 1 3.319 9.318 15.182 1.00 73.05 H new ATOM 0 HG2 MET A 1 3.617 8.419 12.856 1.00 33.31 H new ATOM 0 HG3 MET A 1 2.514 9.643 12.260 1.00 33.31 H new ATOM 0 HE1 MET A 1 6.018 10.918 10.950 1.00 12.33 H new ATOM 0 HE2 MET A 1 5.477 9.228 11.095 1.00 12.33 H new ATOM 0 HE3 MET A 1 4.356 10.473 10.494 1.00 12.33 H new ATOM 20 N LYS A 2 1.750 6.537 13.130 1.00 41.02 N ATOM 21 CA LYS A 2 2.330 5.274 12.648 1.00 34.34 C ATOM 22 C LYS A 2 2.345 5.275 11.113 1.00 64.03 C ATOM 23 O LYS A 2 1.629 6.062 10.473 1.00 65.22 O ATOM 24 CB LYS A 2 1.556 4.052 13.203 1.00 52.23 C ATOM 25 CG LYS A 2 0.067 3.962 12.792 1.00 12.43 C ATOM 26 CD LYS A 2 -0.732 2.966 13.664 1.00 3.11 C ATOM 27 CE LYS A 2 -0.185 1.525 13.620 1.00 32.14 C ATOM 28 NZ LYS A 2 -0.932 0.635 14.548 1.00 51.11 N ATOM 0 H LYS A 2 1.185 7.013 12.427 1.00 41.02 H new ATOM 0 HA LYS A 2 3.354 5.192 13.012 1.00 34.34 H new ATOM 0 HB2 LYS A 2 2.061 3.144 12.873 1.00 52.23 H new ATOM 0 HB3 LYS A 2 1.614 4.072 14.291 1.00 52.23 H new ATOM 0 HG2 LYS A 2 -0.387 4.950 12.867 1.00 12.43 H new ATOM 0 HG3 LYS A 2 0.000 3.659 11.747 1.00 12.43 H new ATOM 0 HD2 LYS A 2 -0.727 3.316 14.696 1.00 3.11 H new ATOM 0 HD3 LYS A 2 -1.771 2.961 13.334 1.00 3.11 H new ATOM 0 HE2 LYS A 2 -0.257 1.137 12.604 1.00 32.14 H new ATOM 0 HE3 LYS A 2 0.872 1.527 13.886 1.00 32.14 H new ATOM 0 HZ1 LYS A 2 -0.750 -0.358 14.298 1.00 51.11 H new ATOM 0 HZ2 LYS A 2 -0.618 0.809 15.524 1.00 51.11 H new ATOM 0 HZ3 LYS A 2 -1.951 0.830 14.472 1.00 51.11 H new ATOM 42 N ILE A 3 3.174 4.398 10.536 1.00 72.02 N ATOM 43 CA ILE A 3 3.409 4.339 9.085 1.00 70.13 C ATOM 44 C ILE A 3 2.713 3.100 8.490 1.00 71.33 C ATOM 45 O ILE A 3 2.930 1.978 8.953 1.00 21.43 O ATOM 46 CB ILE A 3 4.954 4.316 8.775 1.00 73.23 C ATOM 47 CG1 ILE A 3 5.652 5.555 9.439 1.00 52.53 C ATOM 48 CG2 ILE A 3 5.221 4.272 7.246 1.00 63.25 C ATOM 49 CD1 ILE A 3 7.167 5.570 9.355 1.00 53.13 C ATOM 0 H ILE A 3 3.705 3.705 11.063 1.00 72.02 H new ATOM 0 HA ILE A 3 2.986 5.231 8.623 1.00 70.13 H new ATOM 0 HB ILE A 3 5.380 3.408 9.202 1.00 73.23 H new ATOM 0 HG12 ILE A 3 5.270 6.461 8.969 1.00 52.53 H new ATOM 0 HG13 ILE A 3 5.363 5.594 10.489 1.00 52.53 H new ATOM 0 HG21 ILE A 3 6.296 4.257 7.065 1.00 63.25 H new ATOM 0 HG22 ILE A 3 4.769 3.375 6.823 1.00 63.25 H new ATOM 0 HG23 ILE A 3 4.786 5.154 6.775 1.00 63.25 H new ATOM 0 HD11 ILE A 3 7.550 6.466 9.843 1.00 53.13 H new ATOM 0 HD12 ILE A 3 7.568 4.687 9.853 1.00 53.13 H new ATOM 0 HD13 ILE A 3 7.473 5.567 8.309 1.00 53.13 H new ATOM 61 N LEU A 4 1.850 3.324 7.486 1.00 74.01 N ATOM 62 CA LEU A 4 1.107 2.264 6.795 1.00 3.34 C ATOM 63 C LEU A 4 1.533 2.238 5.318 1.00 3.14 C ATOM 64 O LEU A 4 1.254 3.177 4.577 1.00 34.01 O ATOM 65 CB LEU A 4 -0.426 2.512 6.921 1.00 50.42 C ATOM 66 CG LEU A 4 -0.982 2.664 8.378 1.00 50.14 C ATOM 67 CD1 LEU A 4 -2.495 2.948 8.367 1.00 25.53 C ATOM 68 CD2 LEU A 4 -0.653 1.428 9.249 1.00 60.33 C ATOM 0 H LEU A 4 1.648 4.258 7.129 1.00 74.01 H new ATOM 0 HA LEU A 4 1.331 1.300 7.251 1.00 3.34 H new ATOM 0 HB2 LEU A 4 -0.675 3.415 6.363 1.00 50.42 H new ATOM 0 HB3 LEU A 4 -0.948 1.685 6.439 1.00 50.42 H new ATOM 0 HG LEU A 4 -0.482 3.521 8.829 1.00 50.14 H new ATOM 0 HD11 LEU A 4 -2.854 3.049 9.391 1.00 25.53 H new ATOM 0 HD12 LEU A 4 -2.688 3.872 7.822 1.00 25.53 H new ATOM 0 HD13 LEU A 4 -3.016 2.124 7.879 1.00 25.53 H new ATOM 0 HD21 LEU A 4 -1.055 1.572 10.252 1.00 60.33 H new ATOM 0 HD22 LEU A 4 -1.100 0.539 8.803 1.00 60.33 H new ATOM 0 HD23 LEU A 4 0.428 1.301 9.307 1.00 60.33 H new ATOM 80 N ILE A 5 2.253 1.184 4.909 1.00 14.33 N ATOM 81 CA ILE A 5 2.618 0.983 3.498 1.00 74.42 C ATOM 82 C ILE A 5 1.448 0.275 2.797 1.00 63.54 C ATOM 83 O ILE A 5 1.202 -0.907 3.043 1.00 2.15 O ATOM 84 CB ILE A 5 3.934 0.130 3.337 1.00 12.24 C ATOM 85 CG1 ILE A 5 5.099 0.717 4.192 1.00 52.24 C ATOM 86 CG2 ILE A 5 4.351 0.009 1.845 1.00 5.24 C ATOM 87 CD1 ILE A 5 5.572 2.103 3.802 1.00 45.40 C ATOM 0 H ILE A 5 2.595 0.456 5.536 1.00 14.33 H new ATOM 0 HA ILE A 5 2.814 1.956 3.047 1.00 74.42 H new ATOM 0 HB ILE A 5 3.718 -0.872 3.707 1.00 12.24 H new ATOM 0 HG12 ILE A 5 4.782 0.742 5.235 1.00 52.24 H new ATOM 0 HG13 ILE A 5 5.947 0.035 4.133 1.00 52.24 H new ATOM 0 HG21 ILE A 5 5.262 -0.585 1.769 1.00 5.24 H new ATOM 0 HG22 ILE A 5 3.553 -0.476 1.282 1.00 5.24 H new ATOM 0 HG23 ILE A 5 4.531 1.003 1.436 1.00 5.24 H new ATOM 0 HD11 ILE A 5 6.383 2.410 4.462 1.00 45.40 H new ATOM 0 HD12 ILE A 5 5.928 2.089 2.772 1.00 45.40 H new ATOM 0 HD13 ILE A 5 4.745 2.808 3.891 1.00 45.40 H new ATOM 99 N LEU A 6 0.719 1.006 1.955 1.00 4.24 N ATOM 100 CA LEU A 6 -0.445 0.467 1.238 1.00 31.14 C ATOM 101 C LEU A 6 0.061 -0.012 -0.133 1.00 61.11 C ATOM 102 O LEU A 6 0.701 0.755 -0.844 1.00 1.14 O ATOM 103 CB LEU A 6 -1.540 1.582 1.097 1.00 43.44 C ATOM 104 CG LEU A 6 -3.043 1.118 0.970 1.00 31.21 C ATOM 105 CD1 LEU A 6 -3.278 0.076 -0.150 1.00 4.34 C ATOM 106 CD2 LEU A 6 -3.580 0.610 2.322 1.00 32.43 C ATOM 0 H LEU A 6 0.914 1.986 1.748 1.00 4.24 H new ATOM 0 HA LEU A 6 -0.904 -0.364 1.773 1.00 31.14 H new ATOM 0 HB2 LEU A 6 -1.463 2.240 1.963 1.00 43.44 H new ATOM 0 HB3 LEU A 6 -1.298 2.181 0.219 1.00 43.44 H new ATOM 0 HG LEU A 6 -3.608 2.003 0.677 1.00 31.21 H new ATOM 0 HD11 LEU A 6 -4.333 -0.196 -0.178 1.00 4.34 H new ATOM 0 HD12 LEU A 6 -2.987 0.502 -1.110 1.00 4.34 H new ATOM 0 HD13 LEU A 6 -2.679 -0.813 0.049 1.00 4.34 H new ATOM 0 HD21 LEU A 6 -4.618 0.296 2.207 1.00 32.43 H new ATOM 0 HD22 LEU A 6 -2.980 -0.236 2.657 1.00 32.43 H new ATOM 0 HD23 LEU A 6 -3.523 1.410 3.060 1.00 32.43 H new ATOM 118 N ILE A 7 -0.194 -1.280 -0.488 1.00 30.52 N ATOM 119 CA ILE A 7 0.224 -1.853 -1.784 1.00 52.54 C ATOM 120 C ILE A 7 -0.974 -2.542 -2.470 1.00 23.43 C ATOM 121 O ILE A 7 -1.683 -3.344 -1.855 1.00 63.34 O ATOM 122 CB ILE A 7 1.430 -2.865 -1.608 1.00 23.03 C ATOM 123 CG1 ILE A 7 2.653 -2.139 -0.943 1.00 70.13 C ATOM 124 CG2 ILE A 7 1.835 -3.517 -2.961 1.00 30.32 C ATOM 125 CD1 ILE A 7 3.873 -3.000 -0.703 1.00 20.45 C ATOM 0 H ILE A 7 -0.694 -1.938 0.110 1.00 30.52 H new ATOM 0 HA ILE A 7 0.572 -1.038 -2.419 1.00 52.54 H new ATOM 0 HB ILE A 7 1.102 -3.670 -0.950 1.00 23.03 H new ATOM 0 HG12 ILE A 7 2.942 -1.299 -1.575 1.00 70.13 H new ATOM 0 HG13 ILE A 7 2.331 -1.723 0.012 1.00 70.13 H new ATOM 0 HG21 ILE A 7 2.665 -4.205 -2.799 1.00 30.32 H new ATOM 0 HG22 ILE A 7 0.985 -4.064 -3.370 1.00 30.32 H new ATOM 0 HG23 ILE A 7 2.139 -2.740 -3.663 1.00 30.32 H new ATOM 0 HD11 ILE A 7 4.657 -2.400 -0.241 1.00 20.45 H new ATOM 0 HD12 ILE A 7 3.611 -3.826 -0.042 1.00 20.45 H new ATOM 0 HD13 ILE A 7 4.232 -3.396 -1.653 1.00 20.45 H new ATOM 137 N ASN A 8 -1.199 -2.187 -3.744 1.00 42.14 N ATOM 138 CA ASN A 8 -2.156 -2.858 -4.638 1.00 53.41 C ATOM 139 C ASN A 8 -1.372 -3.375 -5.841 1.00 30.31 C ATOM 140 O ASN A 8 -0.761 -2.589 -6.560 1.00 0.21 O ATOM 141 CB ASN A 8 -3.263 -1.874 -5.104 1.00 21.34 C ATOM 142 CG ASN A 8 -4.225 -2.453 -6.164 1.00 54.23 C ATOM 143 OD1 ASN A 8 -3.986 -2.349 -7.371 1.00 3.03 O ATOM 144 ND2 ASN A 8 -5.326 -3.047 -5.729 1.00 74.21 N ATOM 0 H ASN A 8 -0.712 -1.410 -4.191 1.00 42.14 H new ATOM 0 HA ASN A 8 -2.648 -3.677 -4.114 1.00 53.41 H new ATOM 0 HB2 ASN A 8 -3.844 -1.562 -4.236 1.00 21.34 H new ATOM 0 HB3 ASN A 8 -2.790 -0.980 -5.510 1.00 21.34 H new ATOM 0 HD21 ASN A 8 -5.996 -3.430 -6.396 1.00 74.21 H new ATOM 0 HD22 ASN A 8 -5.503 -3.122 -4.727 1.00 74.21 H new ATOM 151 N THR A 9 -1.330 -4.692 -5.998 1.00 34.12 N ATOM 152 CA THR A 9 -0.797 -5.348 -7.198 1.00 2.42 C ATOM 153 C THR A 9 -1.862 -6.296 -7.756 1.00 1.34 C ATOM 154 O THR A 9 -2.625 -6.906 -6.983 1.00 62.42 O ATOM 155 CB THR A 9 0.551 -6.102 -6.905 1.00 73.51 C ATOM 156 OG1 THR A 9 0.987 -6.832 -8.068 1.00 51.33 O ATOM 157 CG2 THR A 9 0.458 -7.057 -5.702 1.00 50.34 C ATOM 0 H THR A 9 -1.667 -5.346 -5.292 1.00 34.12 H new ATOM 0 HA THR A 9 -0.562 -4.588 -7.943 1.00 2.42 H new ATOM 0 HB THR A 9 1.281 -5.333 -6.653 1.00 73.51 H new ATOM 0 HG1 THR A 9 1.911 -6.585 -8.282 1.00 51.33 H new ATOM 0 HG21 THR A 9 1.420 -7.547 -5.551 1.00 50.34 H new ATOM 0 HG22 THR A 9 0.195 -6.492 -4.808 1.00 50.34 H new ATOM 0 HG23 THR A 9 -0.307 -7.810 -5.893 1.00 50.34 H new ATOM 165 N ASN A 10 -1.931 -6.404 -9.097 1.00 71.54 N ATOM 166 CA ASN A 10 -2.822 -7.372 -9.766 1.00 65.31 C ATOM 167 C ASN A 10 -2.246 -8.793 -9.594 1.00 43.24 C ATOM 168 O ASN A 10 -2.980 -9.785 -9.584 1.00 55.04 O ATOM 169 CB ASN A 10 -2.966 -7.075 -11.291 1.00 65.50 C ATOM 170 CG ASN A 10 -3.280 -5.621 -11.675 1.00 20.34 C ATOM 171 OD1 ASN A 10 -2.909 -5.185 -12.769 1.00 54.14 O ATOM 172 ND2 ASN A 10 -3.968 -4.864 -10.825 1.00 11.43 N ATOM 0 H ASN A 10 -1.380 -5.833 -9.738 1.00 71.54 H new ATOM 0 HA ASN A 10 -3.807 -7.289 -9.307 1.00 65.31 H new ATOM 0 HB2 ASN A 10 -2.039 -7.367 -11.785 1.00 65.50 H new ATOM 0 HB3 ASN A 10 -3.755 -7.712 -11.691 1.00 65.50 H new ATOM 0 HD21 ASN A 10 -4.200 -3.902 -11.072 1.00 11.43 H new ATOM 0 HD22 ASN A 10 -4.264 -5.246 -9.927 1.00 11.43 H new ATOM 179 N ASN A 11 -0.909 -8.847 -9.452 1.00 43.34 N ATOM 180 CA ASN A 11 -0.122 -10.081 -9.470 1.00 43.41 C ATOM 181 C ASN A 11 0.142 -10.562 -8.034 1.00 12.22 C ATOM 182 O ASN A 11 0.864 -9.898 -7.276 1.00 51.40 O ATOM 183 CB ASN A 11 1.224 -9.843 -10.209 1.00 52.21 C ATOM 184 CG ASN A 11 1.070 -9.299 -11.639 1.00 52.55 C ATOM 185 OD1 ASN A 11 0.060 -9.524 -12.310 1.00 31.54 O ATOM 186 ND2 ASN A 11 2.079 -8.597 -12.131 1.00 20.45 N ATOM 0 H ASN A 11 -0.339 -8.012 -9.319 1.00 43.34 H new ATOM 0 HA ASN A 11 -0.685 -10.850 -10.000 1.00 43.41 H new ATOM 0 HB2 ASN A 11 1.825 -9.143 -9.629 1.00 52.21 H new ATOM 0 HB3 ASN A 11 1.776 -10.782 -10.247 1.00 52.21 H new ATOM 0 HD21 ASN A 11 2.030 -8.231 -13.082 1.00 20.45 H new ATOM 0 HD22 ASN A 11 2.905 -8.422 -11.559 1.00 20.45 H new ATOM 193 N ASP A 12 -0.441 -11.723 -7.675 1.00 72.31 N ATOM 194 CA ASP A 12 -0.243 -12.365 -6.349 1.00 40.14 C ATOM 195 C ASP A 12 1.224 -12.753 -6.101 1.00 74.23 C ATOM 196 O ASP A 12 1.631 -12.955 -4.955 1.00 52.04 O ATOM 197 CB ASP A 12 -1.139 -13.617 -6.201 1.00 62.32 C ATOM 198 CG ASP A 12 -2.633 -13.281 -6.272 1.00 42.21 C ATOM 199 OD1 ASP A 12 -3.198 -13.274 -7.383 1.00 11.23 O ATOM 200 OD2 ASP A 12 -3.245 -13.004 -5.220 1.00 64.33 O ATOM 0 H ASP A 12 -1.063 -12.246 -8.292 1.00 72.31 H new ATOM 0 HA ASP A 12 -0.527 -11.624 -5.602 1.00 40.14 H new ATOM 0 HB2 ASP A 12 -0.893 -14.331 -6.987 1.00 62.32 H new ATOM 0 HB3 ASP A 12 -0.924 -14.103 -5.250 1.00 62.32 H new ATOM 205 N GLU A 13 1.997 -12.869 -7.190 1.00 45.14 N ATOM 206 CA GLU A 13 3.441 -13.142 -7.147 1.00 64.22 C ATOM 207 C GLU A 13 4.166 -12.098 -6.272 1.00 35.03 C ATOM 208 O GLU A 13 4.893 -12.447 -5.327 1.00 3.45 O ATOM 209 CB GLU A 13 3.998 -13.170 -8.595 1.00 61.21 C ATOM 210 CG GLU A 13 3.308 -14.211 -9.503 1.00 24.25 C ATOM 211 CD GLU A 13 3.922 -14.307 -10.907 1.00 24.23 C ATOM 212 OE1 GLU A 13 4.946 -15.007 -11.073 1.00 5.30 O ATOM 213 OE2 GLU A 13 3.386 -13.690 -11.854 1.00 24.24 O ATOM 0 H GLU A 13 1.632 -12.775 -8.138 1.00 45.14 H new ATOM 0 HA GLU A 13 3.618 -14.116 -6.691 1.00 64.22 H new ATOM 0 HB2 GLU A 13 3.884 -12.181 -9.038 1.00 61.21 H new ATOM 0 HB3 GLU A 13 5.067 -13.382 -8.560 1.00 61.21 H new ATOM 0 HG2 GLU A 13 3.361 -15.189 -9.025 1.00 24.25 H new ATOM 0 HG3 GLU A 13 2.252 -13.958 -9.594 1.00 24.25 H new ATOM 220 N LEU A 14 3.874 -10.814 -6.543 1.00 1.30 N ATOM 221 CA LEU A 14 4.463 -9.694 -5.792 1.00 21.21 C ATOM 222 C LEU A 14 3.972 -9.653 -4.346 1.00 13.42 C ATOM 223 O LEU A 14 4.726 -9.238 -3.487 1.00 63.55 O ATOM 224 CB LEU A 14 4.233 -8.315 -6.479 1.00 52.53 C ATOM 225 CG LEU A 14 5.126 -8.030 -7.729 1.00 31.13 C ATOM 226 CD1 LEU A 14 6.623 -8.274 -7.425 1.00 20.00 C ATOM 227 CD2 LEU A 14 4.653 -8.824 -8.962 1.00 63.35 C ATOM 0 H LEU A 14 3.230 -10.526 -7.280 1.00 1.30 H new ATOM 0 HA LEU A 14 5.537 -9.881 -5.786 1.00 21.21 H new ATOM 0 HB2 LEU A 14 3.187 -8.248 -6.778 1.00 52.53 H new ATOM 0 HB3 LEU A 14 4.406 -7.529 -5.744 1.00 52.53 H new ATOM 0 HG LEU A 14 5.016 -6.973 -7.972 1.00 31.13 H new ATOM 0 HD11 LEU A 14 7.214 -8.066 -8.317 1.00 20.00 H new ATOM 0 HD12 LEU A 14 6.942 -7.616 -6.617 1.00 20.00 H new ATOM 0 HD13 LEU A 14 6.769 -9.312 -7.127 1.00 20.00 H new ATOM 0 HD21 LEU A 14 5.300 -8.598 -9.810 1.00 63.35 H new ATOM 0 HD22 LEU A 14 4.697 -9.892 -8.746 1.00 63.35 H new ATOM 0 HD23 LEU A 14 3.627 -8.545 -9.203 1.00 63.35 H new ATOM 239 N ILE A 15 2.725 -10.101 -4.082 1.00 3.15 N ATOM 240 CA ILE A 15 2.167 -10.123 -2.708 1.00 34.12 C ATOM 241 C ILE A 15 3.102 -10.915 -1.762 1.00 42.35 C ATOM 242 O ILE A 15 3.651 -10.339 -0.814 1.00 12.25 O ATOM 243 CB ILE A 15 0.700 -10.715 -2.668 1.00 63.04 C ATOM 244 CG1 ILE A 15 -0.276 -9.824 -3.499 1.00 54.11 C ATOM 245 CG2 ILE A 15 0.180 -10.883 -1.216 1.00 73.14 C ATOM 246 CD1 ILE A 15 -1.725 -10.285 -3.496 1.00 50.05 C ATOM 0 H ILE A 15 2.087 -10.451 -4.797 1.00 3.15 H new ATOM 0 HA ILE A 15 2.104 -9.091 -2.364 1.00 34.12 H new ATOM 0 HB ILE A 15 0.740 -11.708 -3.117 1.00 63.04 H new ATOM 0 HG12 ILE A 15 -0.233 -8.806 -3.112 1.00 54.11 H new ATOM 0 HG13 ILE A 15 0.076 -9.789 -4.530 1.00 54.11 H new ATOM 0 HG21 ILE A 15 -0.830 -11.292 -1.236 1.00 73.14 H new ATOM 0 HG22 ILE A 15 0.836 -11.562 -0.671 1.00 73.14 H new ATOM 0 HG23 ILE A 15 0.169 -9.913 -0.719 1.00 73.14 H new ATOM 0 HD11 ILE A 15 -2.325 -9.604 -4.099 1.00 50.05 H new ATOM 0 HD12 ILE A 15 -1.788 -11.290 -3.913 1.00 50.05 H new ATOM 0 HD13 ILE A 15 -2.102 -10.292 -2.473 1.00 50.05 H new ATOM 258 N LYS A 16 3.351 -12.199 -2.096 1.00 72.04 N ATOM 259 CA LYS A 16 4.169 -13.103 -1.255 1.00 42.44 C ATOM 260 C LYS A 16 5.654 -12.676 -1.199 1.00 24.15 C ATOM 261 O LYS A 16 6.299 -12.824 -0.154 1.00 73.04 O ATOM 262 CB LYS A 16 4.048 -14.574 -1.738 1.00 54.53 C ATOM 263 CG LYS A 16 4.579 -14.842 -3.171 1.00 32.31 C ATOM 264 CD LYS A 16 4.459 -16.325 -3.597 1.00 71.32 C ATOM 265 CE LYS A 16 3.004 -16.818 -3.666 1.00 52.01 C ATOM 266 NZ LYS A 16 2.205 -16.047 -4.659 1.00 13.41 N ATOM 0 H LYS A 16 2.996 -12.636 -2.946 1.00 72.04 H new ATOM 0 HA LYS A 16 3.772 -13.030 -0.242 1.00 42.44 H new ATOM 0 HB2 LYS A 16 4.589 -15.215 -1.041 1.00 54.53 H new ATOM 0 HB3 LYS A 16 3.000 -14.869 -1.695 1.00 54.53 H new ATOM 0 HG2 LYS A 16 4.028 -14.222 -3.878 1.00 32.31 H new ATOM 0 HG3 LYS A 16 5.624 -14.538 -3.227 1.00 32.31 H new ATOM 0 HD2 LYS A 16 4.927 -16.455 -4.573 1.00 71.32 H new ATOM 0 HD3 LYS A 16 5.013 -16.945 -2.892 1.00 71.32 H new ATOM 0 HE2 LYS A 16 2.991 -17.875 -3.931 1.00 52.01 H new ATOM 0 HE3 LYS A 16 2.543 -16.730 -2.682 1.00 52.01 H new ATOM 0 HZ1 LYS A 16 1.267 -16.483 -4.763 1.00 13.41 H new ATOM 0 HZ2 LYS A 16 2.097 -15.066 -4.331 1.00 13.41 H new ATOM 0 HZ3 LYS A 16 2.693 -16.053 -5.577 1.00 13.41 H new ATOM 280 N LYS A 17 6.188 -12.147 -2.322 1.00 22.20 N ATOM 281 CA LYS A 17 7.608 -11.728 -2.404 1.00 63.21 C ATOM 282 C LYS A 17 7.890 -10.450 -1.578 1.00 4.04 C ATOM 283 O LYS A 17 8.930 -10.351 -0.908 1.00 23.22 O ATOM 284 CB LYS A 17 8.016 -11.547 -3.883 1.00 2.33 C ATOM 285 CG LYS A 17 7.976 -12.866 -4.693 1.00 13.24 C ATOM 286 CD LYS A 17 8.425 -12.690 -6.157 1.00 25.44 C ATOM 287 CE LYS A 17 9.860 -12.158 -6.278 1.00 73.23 C ATOM 288 NZ LYS A 17 10.843 -13.029 -5.584 1.00 74.40 N ATOM 0 H LYS A 17 5.660 -12.000 -3.182 1.00 22.20 H new ATOM 0 HA LYS A 17 8.219 -12.517 -1.964 1.00 63.21 H new ATOM 0 HB2 LYS A 17 7.351 -10.821 -4.350 1.00 2.33 H new ATOM 0 HB3 LYS A 17 9.023 -11.132 -3.927 1.00 2.33 H new ATOM 0 HG2 LYS A 17 8.617 -13.602 -4.209 1.00 13.24 H new ATOM 0 HG3 LYS A 17 6.962 -13.266 -4.676 1.00 13.24 H new ATOM 0 HD2 LYS A 17 8.353 -13.648 -6.672 1.00 25.44 H new ATOM 0 HD3 LYS A 17 7.744 -12.004 -6.661 1.00 25.44 H new ATOM 0 HE2 LYS A 17 10.128 -12.078 -7.331 1.00 73.23 H new ATOM 0 HE3 LYS A 17 9.909 -11.153 -5.860 1.00 73.23 H new ATOM 0 HZ1 LYS A 17 11.806 -12.688 -5.777 1.00 74.40 H new ATOM 0 HZ2 LYS A 17 10.666 -13.004 -4.559 1.00 74.40 H new ATOM 0 HZ3 LYS A 17 10.746 -14.005 -5.929 1.00 74.40 H new ATOM 302 N ILE A 18 6.942 -9.495 -1.615 1.00 40.35 N ATOM 303 CA ILE A 18 7.003 -8.252 -0.814 1.00 34.32 C ATOM 304 C ILE A 18 6.899 -8.589 0.687 1.00 52.24 C ATOM 305 O ILE A 18 7.579 -7.961 1.509 1.00 41.21 O ATOM 306 CB ILE A 18 5.874 -7.230 -1.246 1.00 53.12 C ATOM 307 CG1 ILE A 18 6.160 -6.674 -2.686 1.00 2.13 C ATOM 308 CG2 ILE A 18 5.708 -6.076 -0.225 1.00 33.35 C ATOM 309 CD1 ILE A 18 5.049 -5.816 -3.281 1.00 34.44 C ATOM 0 H ILE A 18 6.110 -9.561 -2.201 1.00 40.35 H new ATOM 0 HA ILE A 18 7.963 -7.770 -1.000 1.00 34.32 H new ATOM 0 HB ILE A 18 4.929 -7.773 -1.263 1.00 53.12 H new ATOM 0 HG12 ILE A 18 7.076 -6.084 -2.655 1.00 2.13 H new ATOM 0 HG13 ILE A 18 6.345 -7.516 -3.353 1.00 2.13 H new ATOM 0 HG21 ILE A 18 4.923 -5.400 -0.564 1.00 33.35 H new ATOM 0 HG22 ILE A 18 5.438 -6.487 0.748 1.00 33.35 H new ATOM 0 HG23 ILE A 18 6.646 -5.528 -0.140 1.00 33.35 H new ATOM 0 HD11 ILE A 18 5.342 -5.480 -4.276 1.00 34.44 H new ATOM 0 HD12 ILE A 18 4.133 -6.403 -3.351 1.00 34.44 H new ATOM 0 HD13 ILE A 18 4.876 -4.950 -2.642 1.00 34.44 H new ATOM 321 N LYS A 19 6.081 -9.618 1.022 1.00 31.02 N ATOM 322 CA LYS A 19 5.950 -10.126 2.408 1.00 2.43 C ATOM 323 C LYS A 19 7.315 -10.524 2.995 1.00 13.14 C ATOM 324 O LYS A 19 7.577 -10.282 4.171 1.00 74.12 O ATOM 325 CB LYS A 19 4.971 -11.329 2.475 1.00 62.32 C ATOM 326 CG LYS A 19 3.501 -10.960 2.222 1.00 40.15 C ATOM 327 CD LYS A 19 2.533 -12.144 2.422 1.00 64.22 C ATOM 328 CE LYS A 19 1.072 -11.723 2.232 1.00 70.05 C ATOM 329 NZ LYS A 19 0.116 -12.807 2.553 1.00 54.21 N ATOM 0 H LYS A 19 5.500 -10.114 0.346 1.00 31.02 H new ATOM 0 HA LYS A 19 5.544 -9.313 3.009 1.00 2.43 H new ATOM 0 HB2 LYS A 19 5.278 -12.074 1.741 1.00 62.32 H new ATOM 0 HB3 LYS A 19 5.053 -11.795 3.457 1.00 62.32 H new ATOM 0 HG2 LYS A 19 3.216 -10.149 2.893 1.00 40.15 H new ATOM 0 HG3 LYS A 19 3.398 -10.583 1.204 1.00 40.15 H new ATOM 0 HD2 LYS A 19 2.778 -12.937 1.715 1.00 64.22 H new ATOM 0 HD3 LYS A 19 2.665 -12.557 3.422 1.00 64.22 H new ATOM 0 HE2 LYS A 19 0.862 -10.861 2.865 1.00 70.05 H new ATOM 0 HE3 LYS A 19 0.921 -11.406 1.200 1.00 70.05 H new ATOM 0 HZ1 LYS A 19 -0.760 -12.396 2.934 1.00 54.21 H new ATOM 0 HZ2 LYS A 19 -0.101 -13.345 1.690 1.00 54.21 H new ATOM 0 HZ3 LYS A 19 0.537 -13.442 3.261 1.00 54.21 H new ATOM 343 N LYS A 20 8.176 -11.101 2.142 1.00 44.30 N ATOM 344 CA LYS A 20 9.544 -11.497 2.513 1.00 52.23 C ATOM 345 C LYS A 20 10.442 -10.257 2.725 1.00 2.43 C ATOM 346 O LYS A 20 11.159 -10.163 3.732 1.00 71.22 O ATOM 347 CB LYS A 20 10.136 -12.407 1.404 1.00 13.41 C ATOM 348 CG LYS A 20 9.296 -13.668 1.079 1.00 24.31 C ATOM 349 CD LYS A 20 9.138 -14.644 2.273 1.00 14.32 C ATOM 350 CE LYS A 20 10.492 -15.157 2.805 1.00 11.22 C ATOM 351 NZ LYS A 20 11.336 -15.760 1.735 1.00 42.40 N ATOM 0 H LYS A 20 7.942 -11.307 1.171 1.00 44.30 H new ATOM 0 HA LYS A 20 9.507 -12.047 3.453 1.00 52.23 H new ATOM 0 HB2 LYS A 20 10.249 -11.819 0.493 1.00 13.41 H new ATOM 0 HB3 LYS A 20 11.135 -12.721 1.707 1.00 13.41 H new ATOM 0 HG2 LYS A 20 8.307 -13.357 0.744 1.00 24.31 H new ATOM 0 HG3 LYS A 20 9.762 -14.198 0.248 1.00 24.31 H new ATOM 0 HD2 LYS A 20 8.602 -14.142 3.079 1.00 14.32 H new ATOM 0 HD3 LYS A 20 8.528 -15.493 1.965 1.00 14.32 H new ATOM 0 HE2 LYS A 20 11.033 -14.331 3.268 1.00 11.22 H new ATOM 0 HE3 LYS A 20 10.315 -15.898 3.584 1.00 11.22 H new ATOM 0 HZ1 LYS A 20 12.179 -16.194 2.161 1.00 42.40 H new ATOM 0 HZ2 LYS A 20 10.790 -16.487 1.231 1.00 42.40 H new ATOM 0 HZ3 LYS A 20 11.629 -15.020 1.065 1.00 42.40 H new ATOM 365 N GLU A 21 10.395 -9.330 1.744 1.00 51.41 N ATOM 366 CA GLU A 21 11.151 -8.049 1.778 1.00 23.25 C ATOM 367 C GLU A 21 10.918 -7.262 3.083 1.00 5.04 C ATOM 368 O GLU A 21 11.844 -6.658 3.635 1.00 22.22 O ATOM 369 CB GLU A 21 10.772 -7.151 0.564 1.00 44.33 C ATOM 370 CG GLU A 21 11.002 -7.795 -0.819 1.00 53.14 C ATOM 371 CD GLU A 21 12.444 -8.281 -1.041 1.00 73.40 C ATOM 372 OE1 GLU A 21 13.334 -7.439 -1.288 1.00 44.32 O ATOM 373 OE2 GLU A 21 12.702 -9.506 -0.956 1.00 25.22 O ATOM 0 H GLU A 21 9.831 -9.445 0.902 1.00 51.41 H new ATOM 0 HA GLU A 21 12.207 -8.314 1.727 1.00 23.25 H new ATOM 0 HB2 GLU A 21 9.721 -6.875 0.649 1.00 44.33 H new ATOM 0 HB3 GLU A 21 11.350 -6.228 0.619 1.00 44.33 H new ATOM 0 HG2 GLU A 21 10.321 -8.639 -0.935 1.00 53.14 H new ATOM 0 HG3 GLU A 21 10.748 -7.072 -1.594 1.00 53.14 H new ATOM 380 N VAL A 22 9.672 -7.284 3.570 1.00 53.44 N ATOM 381 CA VAL A 22 9.245 -6.484 4.735 1.00 13.50 C ATOM 382 C VAL A 22 9.198 -7.319 6.035 1.00 3.14 C ATOM 383 O VAL A 22 9.015 -6.760 7.126 1.00 52.55 O ATOM 384 CB VAL A 22 7.850 -5.836 4.449 1.00 14.41 C ATOM 385 CG1 VAL A 22 7.879 -5.073 3.109 1.00 65.31 C ATOM 386 CG2 VAL A 22 6.713 -6.880 4.471 1.00 20.41 C ATOM 0 H VAL A 22 8.927 -7.856 3.171 1.00 53.44 H new ATOM 0 HA VAL A 22 9.987 -5.701 4.889 1.00 13.50 H new ATOM 0 HB VAL A 22 7.643 -5.126 5.250 1.00 14.41 H new ATOM 0 HG11 VAL A 22 6.902 -4.627 2.923 1.00 65.31 H new ATOM 0 HG12 VAL A 22 8.633 -4.288 3.154 1.00 65.31 H new ATOM 0 HG13 VAL A 22 8.122 -5.764 2.302 1.00 65.31 H new ATOM 0 HG21 VAL A 22 5.762 -6.387 4.268 1.00 20.41 H new ATOM 0 HG22 VAL A 22 6.899 -7.637 3.709 1.00 20.41 H new ATOM 0 HG23 VAL A 22 6.673 -7.354 5.452 1.00 20.41 H new ATOM 396 N GLU A 23 9.354 -8.651 5.895 1.00 62.31 N ATOM 397 CA GLU A 23 9.408 -9.606 7.028 1.00 22.12 C ATOM 398 C GLU A 23 10.578 -9.251 7.961 1.00 11.23 C ATOM 399 O GLU A 23 10.424 -9.156 9.185 1.00 3.45 O ATOM 400 CB GLU A 23 9.587 -11.048 6.483 1.00 44.42 C ATOM 401 CG GLU A 23 9.524 -12.167 7.539 1.00 43.13 C ATOM 402 CD GLU A 23 9.981 -13.519 6.970 1.00 65.24 C ATOM 403 OE1 GLU A 23 11.194 -13.808 7.019 1.00 24.24 O ATOM 404 OE2 GLU A 23 9.141 -14.285 6.449 1.00 12.32 O ATOM 0 H GLU A 23 9.447 -9.102 4.985 1.00 62.31 H new ATOM 0 HA GLU A 23 8.477 -9.546 7.592 1.00 22.12 H new ATOM 0 HB2 GLU A 23 8.816 -11.234 5.735 1.00 44.42 H new ATOM 0 HB3 GLU A 23 10.548 -11.108 5.972 1.00 44.42 H new ATOM 0 HG2 GLU A 23 10.152 -11.900 8.389 1.00 43.13 H new ATOM 0 HG3 GLU A 23 8.504 -12.257 7.912 1.00 43.13 H new ATOM 411 N ASN A 24 11.738 -8.999 7.330 1.00 64.50 N ATOM 412 CA ASN A 24 12.999 -8.661 8.026 1.00 63.45 C ATOM 413 C ASN A 24 13.067 -7.159 8.370 1.00 51.12 C ATOM 414 O ASN A 24 14.090 -6.682 8.864 1.00 22.31 O ATOM 415 CB ASN A 24 14.211 -9.061 7.140 1.00 21.54 C ATOM 416 CG ASN A 24 14.191 -10.530 6.711 1.00 72.02 C ATOM 417 OD1 ASN A 24 13.711 -11.400 7.433 1.00 10.34 O ATOM 418 ND2 ASN A 24 14.710 -10.817 5.535 1.00 64.23 N ATOM 0 H ASN A 24 11.831 -9.024 6.315 1.00 64.50 H new ATOM 0 HA ASN A 24 13.031 -9.219 8.962 1.00 63.45 H new ATOM 0 HB2 ASN A 24 14.226 -8.431 6.251 1.00 21.54 H new ATOM 0 HB3 ASN A 24 15.133 -8.862 7.687 1.00 21.54 H new ATOM 0 HD21 ASN A 24 14.720 -11.782 5.204 1.00 64.23 H new ATOM 0 HD22 ASN A 24 15.102 -10.075 4.956 1.00 64.23 H new ATOM 425 N GLN A 25 11.986 -6.416 8.077 1.00 61.30 N ATOM 426 CA GLN A 25 11.851 -4.984 8.413 1.00 21.33 C ATOM 427 C GLN A 25 10.740 -4.766 9.462 1.00 3.34 C ATOM 428 O GLN A 25 10.522 -3.631 9.896 1.00 24.23 O ATOM 429 CB GLN A 25 11.549 -4.173 7.124 1.00 54.11 C ATOM 430 CG GLN A 25 12.649 -4.214 6.048 1.00 72.13 C ATOM 431 CD GLN A 25 13.968 -3.594 6.503 1.00 2.30 C ATOM 432 OE1 GLN A 25 14.196 -2.395 6.340 1.00 42.15 O ATOM 433 NE2 GLN A 25 14.847 -4.402 7.077 1.00 41.23 N ATOM 0 H GLN A 25 11.171 -6.795 7.595 1.00 61.30 H new ATOM 0 HA GLN A 25 12.789 -4.635 8.844 1.00 21.33 H new ATOM 0 HB2 GLN A 25 10.623 -4.547 6.688 1.00 54.11 H new ATOM 0 HB3 GLN A 25 11.374 -3.134 7.401 1.00 54.11 H new ATOM 0 HG2 GLN A 25 12.824 -5.250 5.758 1.00 72.13 H new ATOM 0 HG3 GLN A 25 12.297 -3.689 5.160 1.00 72.13 H new ATOM 0 HE21 GLN A 25 14.628 -5.391 7.198 1.00 41.23 H new ATOM 0 HE22 GLN A 25 15.743 -4.035 7.398 1.00 41.23 H new ATOM 442 N GLY A 26 10.056 -5.862 9.861 1.00 55.15 N ATOM 443 CA GLY A 26 9.008 -5.823 10.886 1.00 24.22 C ATOM 444 C GLY A 26 7.727 -5.107 10.455 1.00 71.51 C ATOM 445 O GLY A 26 7.227 -4.231 11.172 1.00 62.13 O ATOM 0 H GLY A 26 10.220 -6.793 9.478 1.00 55.15 H new ATOM 0 HA2 GLY A 26 8.759 -6.845 11.173 1.00 24.22 H new ATOM 0 HA3 GLY A 26 9.404 -5.330 11.774 1.00 24.22 H new ATOM 449 N TYR A 27 7.211 -5.457 9.271 1.00 23.51 N ATOM 450 CA TYR A 27 5.889 -4.997 8.798 1.00 42.21 C ATOM 451 C TYR A 27 4.915 -6.174 8.839 1.00 44.14 C ATOM 452 O TYR A 27 5.178 -7.210 8.215 1.00 61.42 O ATOM 453 CB TYR A 27 5.964 -4.449 7.348 1.00 61.30 C ATOM 454 CG TYR A 27 6.725 -3.128 7.180 1.00 21.42 C ATOM 455 CD1 TYR A 27 8.117 -3.079 7.248 1.00 63.24 C ATOM 456 CD2 TYR A 27 6.048 -1.931 6.944 1.00 4.15 C ATOM 457 CE1 TYR A 27 8.802 -1.889 7.086 1.00 11.45 C ATOM 458 CE2 TYR A 27 6.733 -0.745 6.781 1.00 11.23 C ATOM 459 CZ TYR A 27 8.106 -0.728 6.852 1.00 34.03 C ATOM 460 OH TYR A 27 8.788 0.463 6.698 1.00 44.35 O ATOM 0 H TYR A 27 7.693 -6.066 8.610 1.00 23.51 H new ATOM 0 HA TYR A 27 5.550 -4.190 9.448 1.00 42.21 H new ATOM 0 HB2 TYR A 27 6.436 -5.203 6.717 1.00 61.30 H new ATOM 0 HB3 TYR A 27 4.948 -4.313 6.977 1.00 61.30 H new ATOM 0 HD1 TYR A 27 8.671 -3.988 7.431 1.00 63.24 H new ATOM 0 HD2 TYR A 27 4.969 -1.933 6.888 1.00 4.15 H new ATOM 0 HE1 TYR A 27 9.880 -1.872 7.143 1.00 11.45 H new ATOM 0 HE2 TYR A 27 6.191 0.171 6.598 1.00 11.23 H new ATOM 0 HH TYR A 27 8.148 1.188 6.538 1.00 44.35 H new ATOM 470 N GLN A 28 3.809 -6.023 9.589 1.00 64.05 N ATOM 471 CA GLN A 28 2.696 -6.981 9.554 1.00 53.40 C ATOM 472 C GLN A 28 1.914 -6.785 8.248 1.00 1.13 C ATOM 473 O GLN A 28 1.240 -5.768 8.097 1.00 53.31 O ATOM 474 CB GLN A 28 1.731 -6.792 10.762 1.00 73.51 C ATOM 475 CG GLN A 28 2.336 -7.072 12.154 1.00 32.13 C ATOM 476 CD GLN A 28 1.270 -7.136 13.265 1.00 14.42 C ATOM 477 OE1 GLN A 28 0.142 -7.571 13.042 1.00 33.32 O ATOM 478 NE2 GLN A 28 1.611 -6.700 14.459 1.00 60.21 N ATOM 0 H GLN A 28 3.664 -5.242 10.229 1.00 64.05 H new ATOM 0 HA GLN A 28 3.111 -7.987 9.612 1.00 53.40 H new ATOM 0 HB2 GLN A 28 1.358 -5.768 10.748 1.00 73.51 H new ATOM 0 HB3 GLN A 28 0.871 -7.447 10.622 1.00 73.51 H new ATOM 0 HG2 GLN A 28 2.882 -8.015 12.125 1.00 32.13 H new ATOM 0 HG3 GLN A 28 3.059 -6.293 12.395 1.00 32.13 H new ATOM 0 HE21 GLN A 28 2.553 -6.343 14.622 1.00 60.21 H new ATOM 0 HE22 GLN A 28 0.934 -6.719 15.221 1.00 60.21 H new ATOM 487 N VAL A 29 2.034 -7.727 7.299 1.00 32.52 N ATOM 488 CA VAL A 29 1.275 -7.663 6.037 1.00 21.31 C ATOM 489 C VAL A 29 -0.163 -8.149 6.277 1.00 25.13 C ATOM 490 O VAL A 29 -0.377 -9.261 6.766 1.00 43.00 O ATOM 491 CB VAL A 29 1.932 -8.490 4.882 1.00 54.41 C ATOM 492 CG1 VAL A 29 1.136 -8.322 3.559 1.00 61.14 C ATOM 493 CG2 VAL A 29 3.406 -8.085 4.699 1.00 22.12 C ATOM 0 H VAL A 29 2.646 -8.539 7.380 1.00 32.52 H new ATOM 0 HA VAL A 29 1.276 -6.622 5.715 1.00 21.31 H new ATOM 0 HB VAL A 29 1.903 -9.545 5.155 1.00 54.41 H new ATOM 0 HG11 VAL A 29 1.612 -8.906 2.771 1.00 61.14 H new ATOM 0 HG12 VAL A 29 0.114 -8.672 3.703 1.00 61.14 H new ATOM 0 HG13 VAL A 29 1.123 -7.270 3.273 1.00 61.14 H new ATOM 0 HG21 VAL A 29 3.847 -8.670 3.892 1.00 22.12 H new ATOM 0 HG22 VAL A 29 3.464 -7.025 4.452 1.00 22.12 H new ATOM 0 HG23 VAL A 29 3.952 -8.273 5.623 1.00 22.12 H new ATOM 503 N ARG A 30 -1.127 -7.297 5.933 1.00 72.25 N ATOM 504 CA ARG A 30 -2.555 -7.532 6.164 1.00 13.24 C ATOM 505 C ARG A 30 -3.276 -7.624 4.809 1.00 62.13 C ATOM 506 O ARG A 30 -3.241 -6.676 4.030 1.00 13.22 O ATOM 507 CB ARG A 30 -3.112 -6.361 7.010 1.00 32.41 C ATOM 508 CG ARG A 30 -2.532 -6.246 8.439 1.00 1.24 C ATOM 509 CD ARG A 30 -2.870 -7.462 9.317 1.00 71.30 C ATOM 510 NE ARG A 30 -4.326 -7.676 9.440 1.00 61.41 N ATOM 511 CZ ARG A 30 -4.921 -8.732 10.027 1.00 11.34 C ATOM 512 NH1 ARG A 30 -4.208 -9.720 10.558 1.00 73.21 N ATOM 513 NH2 ARG A 30 -6.245 -8.795 10.058 1.00 65.31 N ATOM 0 H ARG A 30 -0.935 -6.405 5.476 1.00 72.25 H new ATOM 0 HA ARG A 30 -2.714 -8.467 6.701 1.00 13.24 H new ATOM 0 HB2 ARG A 30 -2.919 -5.428 6.481 1.00 32.41 H new ATOM 0 HB3 ARG A 30 -4.194 -6.469 7.082 1.00 32.41 H new ATOM 0 HG2 ARG A 30 -1.449 -6.136 8.379 1.00 1.24 H new ATOM 0 HG3 ARG A 30 -2.918 -5.343 8.912 1.00 1.24 H new ATOM 0 HD2 ARG A 30 -2.408 -8.354 8.893 1.00 71.30 H new ATOM 0 HD3 ARG A 30 -2.440 -7.322 10.309 1.00 71.30 H new ATOM 0 HE ARG A 30 -4.936 -6.960 9.045 1.00 61.41 H new ATOM 0 HH11 ARG A 30 -3.189 -9.688 10.526 1.00 73.21 H new ATOM 0 HH12 ARG A 30 -4.680 -10.510 10.998 1.00 73.21 H new ATOM 0 HH21 ARG A 30 -6.801 -8.049 9.640 1.00 65.31 H new ATOM 0 HH22 ARG A 30 -6.708 -9.590 10.500 1.00 65.31 H new ATOM 527 N ASP A 31 -3.922 -8.767 4.546 1.00 75.34 N ATOM 528 CA ASP A 31 -4.559 -9.064 3.242 1.00 5.21 C ATOM 529 C ASP A 31 -6.067 -8.770 3.306 1.00 24.11 C ATOM 530 O ASP A 31 -6.795 -9.378 4.098 1.00 34.52 O ATOM 531 CB ASP A 31 -4.300 -10.546 2.863 1.00 45.24 C ATOM 532 CG ASP A 31 -2.798 -10.848 2.669 1.00 73.51 C ATOM 533 OD1 ASP A 31 -2.245 -10.537 1.586 1.00 13.02 O ATOM 534 OD2 ASP A 31 -2.161 -11.396 3.596 1.00 42.31 O ATOM 0 H ASP A 31 -4.022 -9.518 5.229 1.00 75.34 H new ATOM 0 HA ASP A 31 -4.124 -8.425 2.474 1.00 5.21 H new ATOM 0 HB2 ASP A 31 -4.701 -11.193 3.643 1.00 45.24 H new ATOM 0 HB3 ASP A 31 -4.837 -10.783 1.945 1.00 45.24 H new ATOM 539 N VAL A 32 -6.525 -7.832 2.460 1.00 54.34 N ATOM 540 CA VAL A 32 -7.916 -7.344 2.446 1.00 72.40 C ATOM 541 C VAL A 32 -8.548 -7.640 1.078 1.00 3.12 C ATOM 542 O VAL A 32 -8.065 -7.162 0.045 1.00 14.31 O ATOM 543 CB VAL A 32 -7.980 -5.796 2.737 1.00 73.23 C ATOM 544 CG1 VAL A 32 -9.446 -5.306 2.849 1.00 2.13 C ATOM 545 CG2 VAL A 32 -7.164 -5.448 4.005 1.00 55.24 C ATOM 0 H VAL A 32 -5.934 -7.386 1.759 1.00 54.34 H new ATOM 0 HA VAL A 32 -8.469 -7.860 3.231 1.00 72.40 H new ATOM 0 HB VAL A 32 -7.530 -5.271 1.895 1.00 73.23 H new ATOM 0 HG11 VAL A 32 -9.457 -4.235 3.050 1.00 2.13 H new ATOM 0 HG12 VAL A 32 -9.969 -5.505 1.913 1.00 2.13 H new ATOM 0 HG13 VAL A 32 -9.945 -5.833 3.663 1.00 2.13 H new ATOM 0 HG21 VAL A 32 -7.220 -4.375 4.190 1.00 55.24 H new ATOM 0 HG22 VAL A 32 -7.573 -5.986 4.860 1.00 55.24 H new ATOM 0 HG23 VAL A 32 -6.123 -5.738 3.859 1.00 55.24 H new ATOM 555 N ASN A 33 -9.602 -8.470 1.081 1.00 22.42 N ATOM 556 CA ASN A 33 -10.374 -8.832 -0.130 1.00 44.50 C ATOM 557 C ASN A 33 -11.887 -8.669 0.133 1.00 13.20 C ATOM 558 O ASN A 33 -12.715 -8.995 -0.727 1.00 61.34 O ATOM 559 CB ASN A 33 -10.051 -10.302 -0.541 1.00 44.05 C ATOM 560 CG ASN A 33 -8.564 -10.536 -0.860 1.00 51.01 C ATOM 561 OD1 ASN A 33 -8.131 -10.413 -2.007 1.00 22.00 O ATOM 562 ND2 ASN A 33 -7.772 -10.870 0.154 1.00 63.24 N ATOM 0 H ASN A 33 -9.950 -8.916 1.930 1.00 22.42 H new ATOM 0 HA ASN A 33 -10.091 -8.166 -0.945 1.00 44.50 H new ATOM 0 HB2 ASN A 33 -10.351 -10.971 0.265 1.00 44.05 H new ATOM 0 HB3 ASN A 33 -10.648 -10.567 -1.414 1.00 44.05 H new ATOM 0 HD21 ASN A 33 -6.778 -11.032 -0.007 1.00 63.24 H new ATOM 0 HD22 ASN A 33 -8.158 -10.965 1.093 1.00 63.24 H new ATOM 569 N ASP A 34 -12.240 -8.134 1.322 1.00 35.22 N ATOM 570 CA ASP A 34 -13.640 -8.001 1.781 1.00 40.32 C ATOM 571 C ASP A 34 -13.825 -6.659 2.523 1.00 24.23 C ATOM 572 O ASP A 34 -12.911 -6.212 3.224 1.00 32.13 O ATOM 573 CB ASP A 34 -13.993 -9.206 2.694 1.00 71.43 C ATOM 574 CG ASP A 34 -15.435 -9.174 3.238 1.00 53.53 C ATOM 575 OD1 ASP A 34 -16.353 -9.691 2.567 1.00 23.05 O ATOM 576 OD2 ASP A 34 -15.652 -8.626 4.333 1.00 61.41 O ATOM 0 H ASP A 34 -11.559 -7.781 1.994 1.00 35.22 H new ATOM 0 HA ASP A 34 -14.316 -8.004 0.926 1.00 40.32 H new ATOM 0 HB2 ASP A 34 -13.847 -10.129 2.134 1.00 71.43 H new ATOM 0 HB3 ASP A 34 -13.298 -9.229 3.534 1.00 71.43 H new ATOM 581 N SER A 35 -15.011 -6.033 2.355 1.00 70.34 N ATOM 582 CA SER A 35 -15.336 -4.697 2.907 1.00 4.42 C ATOM 583 C SER A 35 -15.473 -4.693 4.448 1.00 43.30 C ATOM 584 O SER A 35 -15.060 -3.731 5.116 1.00 24.21 O ATOM 585 CB SER A 35 -16.638 -4.187 2.249 1.00 42.31 C ATOM 586 OG SER A 35 -16.540 -4.224 0.836 1.00 55.32 O ATOM 0 H SER A 35 -15.779 -6.446 1.826 1.00 70.34 H new ATOM 0 HA SER A 35 -14.504 -4.032 2.676 1.00 4.42 H new ATOM 0 HB2 SER A 35 -17.479 -4.799 2.575 1.00 42.31 H new ATOM 0 HB3 SER A 35 -16.840 -3.167 2.577 1.00 42.31 H new ATOM 0 HG SER A 35 -17.376 -3.898 0.441 1.00 55.32 H new ATOM 592 N ASP A 36 -16.059 -5.760 5.005 1.00 64.01 N ATOM 593 CA ASP A 36 -16.215 -5.916 6.467 1.00 23.13 C ATOM 594 C ASP A 36 -14.846 -6.195 7.112 1.00 41.11 C ATOM 595 O ASP A 36 -14.572 -5.727 8.223 1.00 74.23 O ATOM 596 CB ASP A 36 -17.234 -7.036 6.798 1.00 52.14 C ATOM 597 CG ASP A 36 -17.551 -7.137 8.303 1.00 54.00 C ATOM 598 OD1 ASP A 36 -18.392 -6.349 8.793 1.00 3.54 O ATOM 599 OD2 ASP A 36 -16.958 -7.977 9.006 1.00 61.22 O ATOM 0 H ASP A 36 -16.438 -6.538 4.464 1.00 64.01 H new ATOM 0 HA ASP A 36 -16.608 -4.987 6.881 1.00 23.13 H new ATOM 0 HB2 ASP A 36 -18.158 -6.853 6.249 1.00 52.14 H new ATOM 0 HB3 ASP A 36 -16.841 -7.991 6.450 1.00 52.14 H new ATOM 604 N GLU A 37 -13.980 -6.925 6.372 1.00 4.00 N ATOM 605 CA GLU A 37 -12.585 -7.178 6.787 1.00 33.43 C ATOM 606 C GLU A 37 -11.759 -5.888 6.721 1.00 61.43 C ATOM 607 O GLU A 37 -10.872 -5.683 7.542 1.00 5.21 O ATOM 608 CB GLU A 37 -11.933 -8.297 5.937 1.00 61.21 C ATOM 609 CG GLU A 37 -12.586 -9.682 6.120 1.00 31.52 C ATOM 610 CD GLU A 37 -12.632 -10.140 7.595 1.00 62.02 C ATOM 611 OE1 GLU A 37 -11.599 -10.613 8.108 1.00 71.13 O ATOM 612 OE2 GLU A 37 -13.701 -10.030 8.244 1.00 22.25 O ATOM 0 H GLU A 37 -14.227 -7.351 5.479 1.00 4.00 H new ATOM 0 HA GLU A 37 -12.603 -7.522 7.821 1.00 33.43 H new ATOM 0 HB2 GLU A 37 -11.986 -8.018 4.885 1.00 61.21 H new ATOM 0 HB3 GLU A 37 -10.876 -8.367 6.196 1.00 61.21 H new ATOM 0 HG2 GLU A 37 -13.601 -9.654 5.723 1.00 31.52 H new ATOM 0 HG3 GLU A 37 -12.034 -10.417 5.534 1.00 31.52 H new ATOM 619 N LEU A 38 -12.086 -5.016 5.753 1.00 31.21 N ATOM 620 CA LEU A 38 -11.515 -3.662 5.660 1.00 5.23 C ATOM 621 C LEU A 38 -11.816 -2.864 6.940 1.00 52.14 C ATOM 622 O LEU A 38 -10.918 -2.241 7.510 1.00 53.31 O ATOM 623 CB LEU A 38 -12.063 -2.944 4.387 1.00 61.34 C ATOM 624 CG LEU A 38 -11.792 -1.389 4.246 1.00 64.14 C ATOM 625 CD1 LEU A 38 -11.488 -1.003 2.793 1.00 44.40 C ATOM 626 CD2 LEU A 38 -12.983 -0.533 4.767 1.00 60.32 C ATOM 0 H LEU A 38 -12.754 -5.230 5.012 1.00 31.21 H new ATOM 0 HA LEU A 38 -10.431 -3.731 5.567 1.00 5.23 H new ATOM 0 HB2 LEU A 38 -11.639 -3.439 3.514 1.00 61.34 H new ATOM 0 HB3 LEU A 38 -13.141 -3.102 4.351 1.00 61.34 H new ATOM 0 HG LEU A 38 -10.920 -1.177 4.865 1.00 64.14 H new ATOM 0 HD11 LEU A 38 -11.307 0.070 2.732 1.00 44.40 H new ATOM 0 HD12 LEU A 38 -10.603 -1.540 2.451 1.00 44.40 H new ATOM 0 HD13 LEU A 38 -12.337 -1.264 2.162 1.00 44.40 H new ATOM 0 HD21 LEU A 38 -12.750 0.525 4.649 1.00 60.32 H new ATOM 0 HD22 LEU A 38 -13.880 -0.772 4.196 1.00 60.32 H new ATOM 0 HD23 LEU A 38 -13.154 -0.752 5.821 1.00 60.32 H new ATOM 638 N LYS A 39 -13.084 -2.931 7.401 1.00 54.13 N ATOM 639 CA LYS A 39 -13.526 -2.247 8.634 1.00 32.03 C ATOM 640 C LYS A 39 -12.837 -2.833 9.886 1.00 63.34 C ATOM 641 O LYS A 39 -12.670 -2.120 10.882 1.00 32.12 O ATOM 642 CB LYS A 39 -15.072 -2.297 8.772 1.00 42.14 C ATOM 643 CG LYS A 39 -15.836 -1.616 7.610 1.00 62.34 C ATOM 644 CD LYS A 39 -17.371 -1.491 7.834 1.00 74.35 C ATOM 645 CE LYS A 39 -18.129 -2.836 7.891 1.00 43.22 C ATOM 646 NZ LYS A 39 -17.976 -3.549 9.189 1.00 23.53 N ATOM 0 H LYS A 39 -13.823 -3.456 6.933 1.00 54.13 H new ATOM 0 HA LYS A 39 -13.227 -1.202 8.556 1.00 32.03 H new ATOM 0 HB2 LYS A 39 -15.386 -3.339 8.837 1.00 42.14 H new ATOM 0 HB3 LYS A 39 -15.357 -1.819 9.709 1.00 42.14 H new ATOM 0 HG2 LYS A 39 -15.422 -0.620 7.454 1.00 62.34 H new ATOM 0 HG3 LYS A 39 -15.660 -2.182 6.695 1.00 62.34 H new ATOM 0 HD2 LYS A 39 -17.545 -0.952 8.765 1.00 74.35 H new ATOM 0 HD3 LYS A 39 -17.793 -0.886 7.032 1.00 74.35 H new ATOM 0 HE2 LYS A 39 -19.188 -2.655 7.707 1.00 43.22 H new ATOM 0 HE3 LYS A 39 -17.772 -3.480 7.087 1.00 43.22 H new ATOM 0 HZ1 LYS A 39 -17.633 -4.515 9.016 1.00 23.53 H new ATOM 0 HZ2 LYS A 39 -17.292 -3.041 9.786 1.00 23.53 H new ATOM 0 HZ3 LYS A 39 -18.895 -3.589 9.673 1.00 23.53 H new ATOM 660 N LYS A 40 -12.441 -4.131 9.823 1.00 0.54 N ATOM 661 CA LYS A 40 -11.632 -4.777 10.884 1.00 52.25 C ATOM 662 C LYS A 40 -10.269 -4.074 10.996 1.00 3.11 C ATOM 663 O LYS A 40 -9.840 -3.706 12.098 1.00 34.04 O ATOM 664 CB LYS A 40 -11.379 -6.283 10.590 1.00 71.33 C ATOM 665 CG LYS A 40 -12.616 -7.188 10.454 1.00 4.54 C ATOM 666 CD LYS A 40 -13.467 -7.295 11.745 1.00 34.32 C ATOM 667 CE LYS A 40 -14.159 -8.664 11.870 1.00 24.55 C ATOM 668 NZ LYS A 40 -14.974 -9.014 10.677 1.00 50.00 N ATOM 0 H LYS A 40 -12.671 -4.750 9.046 1.00 0.54 H new ATOM 0 HA LYS A 40 -12.195 -4.693 11.814 1.00 52.25 H new ATOM 0 HB2 LYS A 40 -10.804 -6.355 9.667 1.00 71.33 H new ATOM 0 HB3 LYS A 40 -10.753 -6.683 11.388 1.00 71.33 H new ATOM 0 HG2 LYS A 40 -13.244 -6.808 9.648 1.00 4.54 H new ATOM 0 HG3 LYS A 40 -12.292 -8.187 10.162 1.00 4.54 H new ATOM 0 HD2 LYS A 40 -12.829 -7.131 12.614 1.00 34.32 H new ATOM 0 HD3 LYS A 40 -14.220 -6.507 11.749 1.00 34.32 H new ATOM 0 HE2 LYS A 40 -13.403 -9.434 12.026 1.00 24.55 H new ATOM 0 HE3 LYS A 40 -14.799 -8.662 12.752 1.00 24.55 H new ATOM 0 HZ1 LYS A 40 -15.609 -9.804 10.910 1.00 50.00 H new ATOM 0 HZ2 LYS A 40 -15.539 -8.190 10.389 1.00 50.00 H new ATOM 0 HZ3 LYS A 40 -14.345 -9.293 9.897 1.00 50.00 H new ATOM 682 N GLU A 41 -9.622 -3.882 9.820 1.00 52.33 N ATOM 683 CA GLU A 41 -8.259 -3.319 9.723 1.00 12.34 C ATOM 684 C GLU A 41 -8.218 -1.899 10.283 1.00 11.52 C ATOM 685 O GLU A 41 -7.423 -1.610 11.172 1.00 43.41 O ATOM 686 CB GLU A 41 -7.757 -3.316 8.249 1.00 42.11 C ATOM 687 CG GLU A 41 -7.954 -4.639 7.489 1.00 43.54 C ATOM 688 CD GLU A 41 -7.230 -5.856 8.095 1.00 4.40 C ATOM 689 OE1 GLU A 41 -7.637 -6.353 9.165 1.00 73.32 O ATOM 690 OE2 GLU A 41 -6.275 -6.351 7.483 1.00 71.00 O ATOM 0 H GLU A 41 -10.033 -4.114 8.915 1.00 52.33 H new ATOM 0 HA GLU A 41 -7.599 -3.953 10.315 1.00 12.34 H new ATOM 0 HB2 GLU A 41 -8.274 -2.524 7.707 1.00 42.11 H new ATOM 0 HB3 GLU A 41 -6.696 -3.066 8.244 1.00 42.11 H new ATOM 0 HG2 GLU A 41 -9.021 -4.857 7.442 1.00 43.54 H new ATOM 0 HG3 GLU A 41 -7.610 -4.505 6.463 1.00 43.54 H new ATOM 697 N MET A 42 -9.140 -1.046 9.793 1.00 73.54 N ATOM 698 CA MET A 42 -9.155 0.396 10.113 1.00 2.14 C ATOM 699 C MET A 42 -9.329 0.640 11.616 1.00 74.14 C ATOM 700 O MET A 42 -8.836 1.643 12.151 1.00 34.34 O ATOM 701 CB MET A 42 -10.261 1.134 9.309 1.00 64.24 C ATOM 702 CG MET A 42 -10.206 0.883 7.790 1.00 74.35 C ATOM 703 SD MET A 42 -8.532 0.895 7.112 1.00 71.21 S ATOM 704 CE MET A 42 -7.956 2.526 7.553 1.00 0.33 C ATOM 0 H MET A 42 -9.892 -1.335 9.167 1.00 73.54 H new ATOM 0 HA MET A 42 -8.187 0.802 9.820 1.00 2.14 H new ATOM 0 HB2 MET A 42 -11.236 0.823 9.683 1.00 64.24 H new ATOM 0 HB3 MET A 42 -10.176 2.205 9.493 1.00 64.24 H new ATOM 0 HG2 MET A 42 -10.670 -0.079 7.573 1.00 74.35 H new ATOM 0 HG3 MET A 42 -10.799 1.644 7.283 1.00 74.35 H new ATOM 0 HE1 MET A 42 -6.874 2.508 7.680 1.00 0.33 H new ATOM 0 HE2 MET A 42 -8.217 3.230 6.763 1.00 0.33 H new ATOM 0 HE3 MET A 42 -8.426 2.838 8.486 1.00 0.33 H new ATOM 714 N LYS A 43 -10.015 -0.304 12.284 1.00 32.30 N ATOM 715 CA LYS A 43 -10.141 -0.310 13.739 1.00 33.44 C ATOM 716 C LYS A 43 -8.785 -0.635 14.388 1.00 12.41 C ATOM 717 O LYS A 43 -8.234 0.198 15.092 1.00 63.23 O ATOM 718 CB LYS A 43 -11.235 -1.319 14.198 1.00 55.32 C ATOM 719 CG LYS A 43 -12.685 -0.883 13.879 1.00 10.24 C ATOM 720 CD LYS A 43 -13.093 0.448 14.559 1.00 4.41 C ATOM 721 CE LYS A 43 -13.005 0.388 16.098 1.00 32.20 C ATOM 722 NZ LYS A 43 -13.397 1.676 16.728 1.00 53.43 N ATOM 0 H LYS A 43 -10.494 -1.079 11.825 1.00 32.30 H new ATOM 0 HA LYS A 43 -10.450 0.684 14.064 1.00 33.44 H new ATOM 0 HB2 LYS A 43 -11.046 -2.282 13.723 1.00 55.32 H new ATOM 0 HB3 LYS A 43 -11.143 -1.471 15.273 1.00 55.32 H new ATOM 0 HG2 LYS A 43 -12.796 -0.779 12.800 1.00 10.24 H new ATOM 0 HG3 LYS A 43 -13.371 -1.669 14.196 1.00 10.24 H new ATOM 0 HD2 LYS A 43 -12.449 1.249 14.194 1.00 4.41 H new ATOM 0 HD3 LYS A 43 -14.113 0.701 14.268 1.00 4.41 H new ATOM 0 HE2 LYS A 43 -13.651 -0.408 16.467 1.00 32.20 H new ATOM 0 HE3 LYS A 43 -11.987 0.135 16.393 1.00 32.20 H new ATOM 0 HZ1 LYS A 43 -13.324 1.593 17.762 1.00 53.43 H new ATOM 0 HZ2 LYS A 43 -12.764 2.432 16.396 1.00 53.43 H new ATOM 0 HZ3 LYS A 43 -14.377 1.906 16.468 1.00 53.43 H new ATOM 736 N LYS A 44 -8.229 -1.823 14.067 1.00 30.20 N ATOM 737 CA LYS A 44 -7.046 -2.390 14.765 1.00 54.15 C ATOM 738 C LYS A 44 -5.783 -1.523 14.591 1.00 41.31 C ATOM 739 O LYS A 44 -4.973 -1.411 15.518 1.00 72.12 O ATOM 740 CB LYS A 44 -6.787 -3.843 14.279 1.00 2.12 C ATOM 741 CG LYS A 44 -7.959 -4.801 14.549 1.00 22.22 C ATOM 742 CD LYS A 44 -8.237 -4.967 16.062 1.00 44.15 C ATOM 743 CE LYS A 44 -9.531 -5.726 16.341 1.00 63.31 C ATOM 744 NZ LYS A 44 -10.710 -5.029 15.761 1.00 22.51 N ATOM 0 H LYS A 44 -8.584 -2.418 13.319 1.00 30.20 H new ATOM 0 HA LYS A 44 -7.272 -2.400 15.831 1.00 54.15 H new ATOM 0 HB2 LYS A 44 -6.580 -3.828 13.209 1.00 2.12 H new ATOM 0 HB3 LYS A 44 -5.894 -4.228 14.771 1.00 2.12 H new ATOM 0 HG2 LYS A 44 -8.855 -4.425 14.055 1.00 22.22 H new ATOM 0 HG3 LYS A 44 -7.739 -5.775 14.112 1.00 22.22 H new ATOM 0 HD2 LYS A 44 -7.403 -5.495 16.525 1.00 44.15 H new ATOM 0 HD3 LYS A 44 -8.289 -3.983 16.528 1.00 44.15 H new ATOM 0 HE2 LYS A 44 -9.461 -6.731 15.925 1.00 63.31 H new ATOM 0 HE3 LYS A 44 -9.665 -5.835 17.417 1.00 63.31 H new ATOM 0 HZ1 LYS A 44 -11.578 -5.383 16.211 1.00 22.51 H new ATOM 0 HZ2 LYS A 44 -10.626 -4.006 15.928 1.00 22.51 H new ATOM 0 HZ3 LYS A 44 -10.752 -5.210 14.738 1.00 22.51 H new ATOM 758 N LEU A 45 -5.635 -0.912 13.402 1.00 54.31 N ATOM 759 CA LEU A 45 -4.543 0.043 13.101 1.00 34.45 C ATOM 760 C LEU A 45 -4.603 1.251 14.052 1.00 5.40 C ATOM 761 O LEU A 45 -3.573 1.736 14.518 1.00 72.11 O ATOM 762 CB LEU A 45 -4.628 0.513 11.621 1.00 41.13 C ATOM 763 CG LEU A 45 -4.514 -0.612 10.543 1.00 30.33 C ATOM 764 CD1 LEU A 45 -4.710 -0.054 9.118 1.00 50.30 C ATOM 765 CD2 LEU A 45 -3.186 -1.390 10.675 1.00 65.14 C ATOM 0 H LEU A 45 -6.269 -1.064 12.618 1.00 54.31 H new ATOM 0 HA LEU A 45 -3.590 -0.465 13.251 1.00 34.45 H new ATOM 0 HB2 LEU A 45 -5.576 1.032 11.478 1.00 41.13 H new ATOM 0 HB3 LEU A 45 -3.836 1.241 11.445 1.00 41.13 H new ATOM 0 HG LEU A 45 -5.322 -1.320 10.725 1.00 30.33 H new ATOM 0 HD11 LEU A 45 -4.624 -0.865 8.395 1.00 50.30 H new ATOM 0 HD12 LEU A 45 -5.697 0.401 9.038 1.00 50.30 H new ATOM 0 HD13 LEU A 45 -3.947 0.697 8.913 1.00 50.30 H new ATOM 0 HD21 LEU A 45 -3.141 -2.165 9.910 1.00 65.14 H new ATOM 0 HD22 LEU A 45 -2.348 -0.704 10.548 1.00 65.14 H new ATOM 0 HD23 LEU A 45 -3.131 -1.851 11.661 1.00 65.14 H new ATOM 777 N ALA A 46 -5.828 1.694 14.349 1.00 52.25 N ATOM 778 CA ALA A 46 -6.081 2.850 15.219 1.00 60.13 C ATOM 779 C ALA A 46 -6.052 2.472 16.721 1.00 40.41 C ATOM 780 O ALA A 46 -5.612 3.275 17.555 1.00 30.55 O ATOM 781 CB ALA A 46 -7.419 3.498 14.832 1.00 40.03 C ATOM 0 H ALA A 46 -6.678 1.259 13.991 1.00 52.25 H new ATOM 0 HA ALA A 46 -5.277 3.571 15.071 1.00 60.13 H new ATOM 0 HB1 ALA A 46 -7.608 4.356 15.477 1.00 40.03 H new ATOM 0 HB2 ALA A 46 -7.377 3.827 13.794 1.00 40.03 H new ATOM 0 HB3 ALA A 46 -8.223 2.771 14.950 1.00 40.03 H new ATOM 787 N GLU A 47 -6.499 1.241 17.051 1.00 64.15 N ATOM 788 CA GLU A 47 -6.626 0.761 18.450 1.00 62.42 C ATOM 789 C GLU A 47 -5.252 0.390 19.022 1.00 72.13 C ATOM 790 O GLU A 47 -5.042 0.451 20.240 1.00 12.24 O ATOM 791 CB GLU A 47 -7.599 -0.449 18.519 1.00 51.33 C ATOM 792 CG GLU A 47 -9.058 -0.115 18.116 1.00 71.01 C ATOM 793 CD GLU A 47 -9.984 -1.340 18.085 1.00 30.11 C ATOM 794 OE1 GLU A 47 -9.801 -2.209 17.207 1.00 11.51 O ATOM 795 OE2 GLU A 47 -10.892 -1.453 18.933 1.00 42.25 O ATOM 0 H GLU A 47 -6.783 0.550 16.357 1.00 64.15 H new ATOM 0 HA GLU A 47 -7.037 1.567 19.057 1.00 62.42 H new ATOM 0 HB2 GLU A 47 -7.226 -1.239 17.867 1.00 51.33 H new ATOM 0 HB3 GLU A 47 -7.596 -0.846 19.534 1.00 51.33 H new ATOM 0 HG2 GLU A 47 -9.461 0.617 18.816 1.00 71.01 H new ATOM 0 HG3 GLU A 47 -9.056 0.353 17.132 1.00 71.01 H new ATOM 802 N GLU A 48 -4.318 0.028 18.127 1.00 72.20 N ATOM 803 CA GLU A 48 -2.926 -0.256 18.490 1.00 1.45 C ATOM 804 C GLU A 48 -2.124 1.050 18.404 1.00 45.30 C ATOM 805 O GLU A 48 -1.426 1.306 17.407 1.00 14.51 O ATOM 806 CB GLU A 48 -2.332 -1.360 17.569 1.00 31.22 C ATOM 807 CG GLU A 48 -2.984 -2.749 17.716 1.00 25.15 C ATOM 808 CD GLU A 48 -2.705 -3.412 19.076 1.00 73.44 C ATOM 809 OE1 GLU A 48 -1.663 -4.089 19.213 1.00 13.31 O ATOM 810 OE2 GLU A 48 -3.517 -3.261 20.018 1.00 21.22 O ATOM 0 H GLU A 48 -4.511 -0.075 17.131 1.00 72.20 H new ATOM 0 HA GLU A 48 -2.875 -0.637 19.510 1.00 1.45 H new ATOM 0 HB2 GLU A 48 -2.428 -1.038 16.532 1.00 31.22 H new ATOM 0 HB3 GLU A 48 -1.266 -1.451 17.777 1.00 31.22 H new ATOM 0 HG2 GLU A 48 -4.061 -2.653 17.581 1.00 25.15 H new ATOM 0 HG3 GLU A 48 -2.620 -3.400 16.921 1.00 25.15 H new ATOM 817 N LYS A 49 -2.304 1.910 19.434 1.00 20.31 N ATOM 818 CA LYS A 49 -1.610 3.208 19.533 1.00 2.15 C ATOM 819 C LYS A 49 -0.100 2.969 19.750 1.00 73.12 C ATOM 820 O LYS A 49 0.365 2.702 20.866 1.00 24.32 O ATOM 821 CB LYS A 49 -2.229 4.163 20.621 1.00 42.34 C ATOM 822 CG LYS A 49 -2.268 3.658 22.090 1.00 20.40 C ATOM 823 CD LYS A 49 -3.437 2.687 22.380 1.00 72.00 C ATOM 824 CE LYS A 49 -3.367 2.102 23.796 1.00 63.13 C ATOM 825 NZ LYS A 49 -2.144 1.280 24.001 1.00 34.12 N ATOM 0 H LYS A 49 -2.933 1.721 20.215 1.00 20.31 H new ATOM 0 HA LYS A 49 -1.751 3.736 18.590 1.00 2.15 H new ATOM 0 HB2 LYS A 49 -1.670 5.098 20.603 1.00 42.34 H new ATOM 0 HB3 LYS A 49 -3.250 4.397 20.320 1.00 42.34 H new ATOM 0 HG2 LYS A 49 -1.327 3.159 22.319 1.00 20.40 H new ATOM 0 HG3 LYS A 49 -2.345 4.516 22.758 1.00 20.40 H new ATOM 0 HD2 LYS A 49 -4.383 3.212 22.252 1.00 72.00 H new ATOM 0 HD3 LYS A 49 -3.422 1.876 21.652 1.00 72.00 H new ATOM 0 HE2 LYS A 49 -3.385 2.913 24.524 1.00 63.13 H new ATOM 0 HE3 LYS A 49 -4.250 1.490 23.979 1.00 63.13 H new ATOM 0 HZ1 LYS A 49 -2.246 0.717 24.869 1.00 34.12 H new ATOM 0 HZ2 LYS A 49 -2.013 0.643 23.189 1.00 34.12 H new ATOM 0 HZ3 LYS A 49 -1.317 1.904 24.088 1.00 34.12 H new ATOM 839 N ASN A 50 0.643 3.010 18.641 1.00 72.34 N ATOM 840 CA ASN A 50 2.069 2.673 18.594 1.00 51.51 C ATOM 841 C ASN A 50 2.625 3.101 17.235 1.00 40.44 C ATOM 842 O ASN A 50 1.890 3.089 16.244 1.00 12.51 O ATOM 843 CB ASN A 50 2.258 1.134 18.830 1.00 24.24 C ATOM 844 CG ASN A 50 3.714 0.659 18.897 1.00 43.02 C ATOM 845 OD1 ASN A 50 4.624 1.411 19.239 1.00 74.10 O ATOM 846 ND2 ASN A 50 3.938 -0.610 18.609 1.00 1.55 N ATOM 0 H ASN A 50 0.264 3.283 17.734 1.00 72.34 H new ATOM 0 HA ASN A 50 2.613 3.198 19.380 1.00 51.51 H new ATOM 0 HB2 ASN A 50 1.760 0.861 19.761 1.00 24.24 H new ATOM 0 HB3 ASN A 50 1.753 0.595 18.029 1.00 24.24 H new ATOM 0 HD21 ASN A 50 4.884 -0.987 18.668 1.00 1.55 H new ATOM 0 HD22 ASN A 50 3.165 -1.213 18.328 1.00 1.55 H new ATOM 853 N PHE A 51 3.923 3.447 17.187 1.00 14.23 N ATOM 854 CA PHE A 51 4.611 3.857 15.941 1.00 12.01 C ATOM 855 C PHE A 51 4.924 2.660 15.021 1.00 43.45 C ATOM 856 O PHE A 51 5.576 2.849 13.980 1.00 12.12 O ATOM 857 CB PHE A 51 5.918 4.636 16.276 1.00 11.31 C ATOM 858 CG PHE A 51 5.689 6.043 16.827 1.00 64.13 C ATOM 859 CD1 PHE A 51 5.377 6.253 18.172 1.00 72.32 C ATOM 860 CD2 PHE A 51 5.787 7.159 15.990 1.00 64.31 C ATOM 861 CE1 PHE A 51 5.166 7.530 18.658 1.00 52.34 C ATOM 862 CE2 PHE A 51 5.577 8.433 16.477 1.00 62.55 C ATOM 863 CZ PHE A 51 5.270 8.619 17.810 1.00 24.03 C ATOM 0 H PHE A 51 4.528 3.452 18.008 1.00 14.23 H new ATOM 0 HA PHE A 51 3.929 4.511 15.398 1.00 12.01 H new ATOM 0 HB2 PHE A 51 6.492 4.063 17.004 1.00 11.31 H new ATOM 0 HB3 PHE A 51 6.526 4.706 15.374 1.00 11.31 H new ATOM 0 HD1 PHE A 51 5.300 5.408 18.840 1.00 72.32 H new ATOM 0 HD2 PHE A 51 6.031 7.022 14.947 1.00 64.31 H new ATOM 0 HE1 PHE A 51 4.920 7.678 19.699 1.00 52.34 H new ATOM 0 HE2 PHE A 51 5.653 9.284 15.816 1.00 62.55 H new ATOM 0 HZ PHE A 51 5.111 9.617 18.192 1.00 24.03 H new ATOM 873 N GLU A 52 4.453 1.446 15.401 1.00 20.04 N ATOM 874 CA GLU A 52 4.697 0.198 14.664 1.00 53.01 C ATOM 875 C GLU A 52 4.195 0.314 13.218 1.00 23.21 C ATOM 876 O GLU A 52 3.008 0.580 12.968 1.00 64.32 O ATOM 877 CB GLU A 52 4.032 -0.998 15.375 1.00 51.32 C ATOM 878 CG GLU A 52 4.373 -2.380 14.778 1.00 24.01 C ATOM 879 CD GLU A 52 3.763 -3.537 15.578 1.00 34.13 C ATOM 880 OE1 GLU A 52 4.114 -3.699 16.766 1.00 34.12 O ATOM 881 OE2 GLU A 52 2.932 -4.284 15.040 1.00 12.13 O ATOM 0 H GLU A 52 3.887 1.313 16.239 1.00 20.04 H new ATOM 0 HA GLU A 52 5.773 0.024 14.640 1.00 53.01 H new ATOM 0 HB2 GLU A 52 4.328 -0.989 16.424 1.00 51.32 H new ATOM 0 HB3 GLU A 52 2.951 -0.863 15.347 1.00 51.32 H new ATOM 0 HG2 GLU A 52 4.014 -2.426 13.750 1.00 24.01 H new ATOM 0 HG3 GLU A 52 5.456 -2.499 14.743 1.00 24.01 H new ATOM 888 N LYS A 53 5.125 0.129 12.284 1.00 1.14 N ATOM 889 CA LYS A 53 4.868 0.303 10.861 1.00 34.43 C ATOM 890 C LYS A 53 4.244 -0.986 10.287 1.00 73.24 C ATOM 891 O LYS A 53 4.869 -2.053 10.266 1.00 31.20 O ATOM 892 CB LYS A 53 6.150 0.736 10.087 1.00 11.10 C ATOM 893 CG LYS A 53 7.389 -0.189 10.217 1.00 12.20 C ATOM 894 CD LYS A 53 8.288 0.130 11.421 1.00 13.10 C ATOM 895 CE LYS A 53 9.471 -0.839 11.533 1.00 3.13 C ATOM 896 NZ LYS A 53 9.033 -2.242 11.719 1.00 45.21 N ATOM 0 H LYS A 53 6.083 -0.148 12.497 1.00 1.14 H new ATOM 0 HA LYS A 53 4.154 1.116 10.731 1.00 34.43 H new ATOM 0 HB2 LYS A 53 5.897 0.819 9.030 1.00 11.10 H new ATOM 0 HB3 LYS A 53 6.432 1.732 10.427 1.00 11.10 H new ATOM 0 HG2 LYS A 53 7.051 -1.222 10.294 1.00 12.20 H new ATOM 0 HG3 LYS A 53 7.982 -0.114 9.305 1.00 12.20 H new ATOM 0 HD2 LYS A 53 8.663 1.150 11.332 1.00 13.10 H new ATOM 0 HD3 LYS A 53 7.697 0.086 12.336 1.00 13.10 H new ATOM 0 HE2 LYS A 53 10.082 -0.768 10.633 1.00 3.13 H new ATOM 0 HE3 LYS A 53 10.102 -0.543 12.371 1.00 3.13 H new ATOM 0 HZ1 LYS A 53 9.449 -2.623 12.593 1.00 45.21 H new ATOM 0 HZ2 LYS A 53 7.996 -2.276 11.786 1.00 45.21 H new ATOM 0 HZ3 LYS A 53 9.346 -2.814 10.909 1.00 45.21 H new ATOM 910 N ILE A 54 2.972 -0.874 9.881 1.00 23.32 N ATOM 911 CA ILE A 54 2.176 -1.988 9.344 1.00 11.52 C ATOM 912 C ILE A 54 2.092 -1.843 7.814 1.00 34.44 C ATOM 913 O ILE A 54 2.155 -0.733 7.290 1.00 1.24 O ATOM 914 CB ILE A 54 0.725 -1.993 9.976 1.00 55.24 C ATOM 915 CG1 ILE A 54 0.783 -1.937 11.540 1.00 72.12 C ATOM 916 CG2 ILE A 54 -0.108 -3.219 9.516 1.00 35.11 C ATOM 917 CD1 ILE A 54 1.467 -3.124 12.206 1.00 22.01 C ATOM 0 H ILE A 54 2.458 0.007 9.917 1.00 23.32 H new ATOM 0 HA ILE A 54 2.655 -2.933 9.600 1.00 11.52 H new ATOM 0 HB ILE A 54 0.226 -1.094 9.614 1.00 55.24 H new ATOM 0 HG12 ILE A 54 1.302 -1.026 11.836 1.00 72.12 H new ATOM 0 HG13 ILE A 54 -0.235 -1.863 11.923 1.00 72.12 H new ATOM 0 HG21 ILE A 54 -1.096 -3.180 9.975 1.00 35.11 H new ATOM 0 HG22 ILE A 54 -0.211 -3.203 8.431 1.00 35.11 H new ATOM 0 HG23 ILE A 54 0.397 -4.136 9.819 1.00 35.11 H new ATOM 0 HD11 ILE A 54 1.456 -2.991 13.288 1.00 22.01 H new ATOM 0 HD12 ILE A 54 0.937 -4.041 11.948 1.00 22.01 H new ATOM 0 HD13 ILE A 54 2.498 -3.191 11.860 1.00 22.01 H new ATOM 929 N LEU A 55 1.966 -2.968 7.109 1.00 41.13 N ATOM 930 CA LEU A 55 1.797 -2.987 5.651 1.00 74.31 C ATOM 931 C LEU A 55 0.420 -3.584 5.339 1.00 51.03 C ATOM 932 O LEU A 55 0.076 -4.646 5.851 1.00 21.13 O ATOM 933 CB LEU A 55 2.963 -3.787 5.000 1.00 34.35 C ATOM 934 CG LEU A 55 3.098 -3.688 3.433 1.00 55.44 C ATOM 935 CD1 LEU A 55 4.552 -3.886 2.987 1.00 72.05 C ATOM 936 CD2 LEU A 55 2.187 -4.689 2.697 1.00 50.31 C ATOM 0 H LEU A 55 1.978 -3.896 7.532 1.00 41.13 H new ATOM 0 HA LEU A 55 1.836 -1.982 5.232 1.00 74.31 H new ATOM 0 HB2 LEU A 55 3.899 -3.448 5.445 1.00 34.35 H new ATOM 0 HB3 LEU A 55 2.846 -4.837 5.266 1.00 34.35 H new ATOM 0 HG LEU A 55 2.774 -2.683 3.163 1.00 55.44 H new ATOM 0 HD11 LEU A 55 4.613 -3.812 1.901 1.00 72.05 H new ATOM 0 HD12 LEU A 55 5.179 -3.117 3.439 1.00 72.05 H new ATOM 0 HD13 LEU A 55 4.899 -4.870 3.304 1.00 72.05 H new ATOM 0 HD21 LEU A 55 2.319 -4.578 1.621 1.00 50.31 H new ATOM 0 HD22 LEU A 55 2.449 -5.705 2.992 1.00 50.31 H new ATOM 0 HD23 LEU A 55 1.147 -4.493 2.957 1.00 50.31 H new ATOM 948 N ILE A 56 -0.377 -2.884 4.521 1.00 61.34 N ATOM 949 CA ILE A 56 -1.715 -3.345 4.119 1.00 51.44 C ATOM 950 C ILE A 56 -1.727 -3.590 2.594 1.00 12.02 C ATOM 951 O ILE A 56 -1.416 -2.684 1.818 1.00 23.54 O ATOM 952 CB ILE A 56 -2.844 -2.295 4.471 1.00 14.33 C ATOM 953 CG1 ILE A 56 -2.714 -1.723 5.927 1.00 25.54 C ATOM 954 CG2 ILE A 56 -4.246 -2.920 4.252 1.00 12.30 C ATOM 955 CD1 ILE A 56 -2.917 -2.731 7.044 1.00 51.22 C ATOM 0 H ILE A 56 -0.114 -1.984 4.119 1.00 61.34 H new ATOM 0 HA ILE A 56 -1.925 -4.262 4.669 1.00 51.44 H new ATOM 0 HB ILE A 56 -2.715 -1.451 3.794 1.00 14.33 H new ATOM 0 HG12 ILE A 56 -1.725 -1.278 6.037 1.00 25.54 H new ATOM 0 HG13 ILE A 56 -3.440 -0.919 6.049 1.00 25.54 H new ATOM 0 HG21 ILE A 56 -5.014 -2.186 4.498 1.00 12.30 H new ATOM 0 HG22 ILE A 56 -4.352 -3.220 3.210 1.00 12.30 H new ATOM 0 HG23 ILE A 56 -4.359 -3.793 4.894 1.00 12.30 H new ATOM 0 HD11 ILE A 56 -2.806 -2.234 8.008 1.00 51.22 H new ATOM 0 HD12 ILE A 56 -3.916 -3.160 6.970 1.00 51.22 H new ATOM 0 HD13 ILE A 56 -2.174 -3.524 6.958 1.00 51.22 H new ATOM 967 N ILE A 57 -2.079 -4.814 2.184 1.00 14.31 N ATOM 968 CA ILE A 57 -2.335 -5.159 0.771 1.00 64.34 C ATOM 969 C ILE A 57 -3.845 -5.349 0.569 1.00 70.45 C ATOM 970 O ILE A 57 -4.504 -6.022 1.363 1.00 13.54 O ATOM 971 CB ILE A 57 -1.545 -6.454 0.305 1.00 74.41 C ATOM 972 CG1 ILE A 57 -0.010 -6.181 0.338 1.00 64.12 C ATOM 973 CG2 ILE A 57 -1.997 -6.933 -1.110 1.00 14.31 C ATOM 974 CD1 ILE A 57 0.877 -7.336 -0.098 1.00 22.30 C ATOM 0 H ILE A 57 -2.196 -5.601 2.822 1.00 14.31 H new ATOM 0 HA ILE A 57 -1.972 -4.338 0.153 1.00 64.34 H new ATOM 0 HB ILE A 57 -1.777 -7.260 1.002 1.00 74.41 H new ATOM 0 HG12 ILE A 57 0.201 -5.324 -0.301 1.00 64.12 H new ATOM 0 HG13 ILE A 57 0.268 -5.897 1.353 1.00 64.12 H new ATOM 0 HG21 ILE A 57 -1.432 -7.822 -1.391 1.00 14.31 H new ATOM 0 HG22 ILE A 57 -3.061 -7.170 -1.091 1.00 14.31 H new ATOM 0 HG23 ILE A 57 -1.815 -6.142 -1.837 1.00 14.31 H new ATOM 0 HD11 ILE A 57 1.923 -7.035 -0.036 1.00 22.30 H new ATOM 0 HD12 ILE A 57 0.706 -8.192 0.554 1.00 22.30 H new ATOM 0 HD13 ILE A 57 0.639 -7.610 -1.126 1.00 22.30 H new ATOM 986 N SER A 58 -4.378 -4.727 -0.488 1.00 63.12 N ATOM 987 CA SER A 58 -5.759 -4.922 -0.932 1.00 15.43 C ATOM 988 C SER A 58 -5.719 -5.189 -2.439 1.00 43.21 C ATOM 989 O SER A 58 -5.210 -4.355 -3.197 1.00 24.11 O ATOM 990 CB SER A 58 -6.631 -3.681 -0.607 1.00 33.44 C ATOM 991 OG SER A 58 -7.991 -3.899 -0.955 1.00 1.10 O ATOM 0 H SER A 58 -3.856 -4.067 -1.064 1.00 63.12 H new ATOM 0 HA SER A 58 -6.211 -5.764 -0.409 1.00 15.43 H new ATOM 0 HB2 SER A 58 -6.558 -3.451 0.456 1.00 33.44 H new ATOM 0 HB3 SER A 58 -6.250 -2.815 -1.147 1.00 33.44 H new ATOM 0 HG SER A 58 -8.194 -3.431 -1.792 1.00 1.10 H new ATOM 997 N ASN A 59 -6.216 -6.368 -2.856 1.00 15.32 N ATOM 998 CA ASN A 59 -6.294 -6.753 -4.285 1.00 61.20 C ATOM 999 C ASN A 59 -7.357 -5.926 -5.014 1.00 53.44 C ATOM 1000 O ASN A 59 -7.296 -5.754 -6.238 1.00 4.24 O ATOM 1001 CB ASN A 59 -6.621 -8.264 -4.434 1.00 63.12 C ATOM 1002 CG ASN A 59 -5.454 -9.167 -4.048 1.00 41.34 C ATOM 1003 OD1 ASN A 59 -5.289 -9.524 -2.886 1.00 40.51 O ATOM 1004 ND2 ASN A 59 -4.635 -9.551 -5.019 1.00 22.34 N ATOM 0 H ASN A 59 -6.574 -7.080 -2.219 1.00 15.32 H new ATOM 0 HA ASN A 59 -5.320 -6.555 -4.733 1.00 61.20 H new ATOM 0 HB2 ASN A 59 -7.482 -8.507 -3.812 1.00 63.12 H new ATOM 0 HB3 ASN A 59 -6.906 -8.468 -5.466 1.00 63.12 H new ATOM 0 HD21 ASN A 59 -3.844 -10.159 -4.808 1.00 22.34 H new ATOM 0 HD22 ASN A 59 -4.797 -9.238 -5.976 1.00 22.34 H new ATOM 1011 N ASP A 60 -8.320 -5.406 -4.243 1.00 71.34 N ATOM 1012 CA ASP A 60 -9.445 -4.649 -4.774 1.00 72.12 C ATOM 1013 C ASP A 60 -9.182 -3.156 -4.534 1.00 71.04 C ATOM 1014 O ASP A 60 -9.087 -2.710 -3.383 1.00 71.05 O ATOM 1015 CB ASP A 60 -10.759 -5.110 -4.105 1.00 13.13 C ATOM 1016 CG ASP A 60 -11.990 -4.437 -4.725 1.00 60.40 C ATOM 1017 OD1 ASP A 60 -12.436 -4.869 -5.811 1.00 34.24 O ATOM 1018 OD2 ASP A 60 -12.494 -3.455 -4.155 1.00 60.23 O ATOM 0 H ASP A 60 -8.335 -5.503 -3.228 1.00 71.34 H new ATOM 0 HA ASP A 60 -9.550 -4.822 -5.845 1.00 72.12 H new ATOM 0 HB2 ASP A 60 -10.852 -6.192 -4.198 1.00 13.13 H new ATOM 0 HB3 ASP A 60 -10.721 -4.884 -3.039 1.00 13.13 H new ATOM 1023 N LYS A 61 -9.046 -2.397 -5.627 1.00 41.33 N ATOM 1024 CA LYS A 61 -8.667 -0.970 -5.577 1.00 51.44 C ATOM 1025 C LYS A 61 -9.844 -0.047 -5.187 1.00 25.43 C ATOM 1026 O LYS A 61 -9.609 1.116 -4.836 1.00 65.02 O ATOM 1027 CB LYS A 61 -7.954 -0.534 -6.893 1.00 21.34 C ATOM 1028 CG LYS A 61 -8.605 -1.031 -8.205 1.00 61.51 C ATOM 1029 CD LYS A 61 -7.709 -0.751 -9.440 1.00 31.41 C ATOM 1030 CE LYS A 61 -8.207 -1.444 -10.719 1.00 73.35 C ATOM 1031 NZ LYS A 61 -7.301 -1.187 -11.872 1.00 2.34 N ATOM 0 H LYS A 61 -9.194 -2.749 -6.573 1.00 41.33 H new ATOM 0 HA LYS A 61 -7.944 -0.855 -4.770 1.00 51.44 H new ATOM 0 HB2 LYS A 61 -7.913 0.555 -6.919 1.00 21.34 H new ATOM 0 HB3 LYS A 61 -6.924 -0.891 -6.862 1.00 21.34 H new ATOM 0 HG2 LYS A 61 -8.797 -2.101 -8.132 1.00 61.51 H new ATOM 0 HG3 LYS A 61 -9.570 -0.542 -8.339 1.00 61.51 H new ATOM 0 HD2 LYS A 61 -7.663 0.324 -9.611 1.00 31.41 H new ATOM 0 HD3 LYS A 61 -6.693 -1.083 -9.227 1.00 31.41 H new ATOM 0 HE2 LYS A 61 -8.281 -2.518 -10.546 1.00 73.35 H new ATOM 0 HE3 LYS A 61 -9.210 -1.090 -10.958 1.00 73.35 H new ATOM 0 HZ1 LYS A 61 -7.816 -1.347 -12.761 1.00 2.34 H new ATOM 0 HZ2 LYS A 61 -6.967 -0.203 -11.838 1.00 2.34 H new ATOM 0 HZ3 LYS A 61 -6.486 -1.831 -11.823 1.00 2.34 H new ATOM 1045 N GLN A 62 -11.093 -0.567 -5.208 1.00 23.02 N ATOM 1046 CA GLN A 62 -12.250 0.146 -4.613 1.00 33.34 C ATOM 1047 C GLN A 62 -12.073 0.185 -3.087 1.00 31.52 C ATOM 1048 O GLN A 62 -12.240 1.237 -2.464 1.00 55.53 O ATOM 1049 CB GLN A 62 -13.598 -0.529 -4.984 1.00 35.12 C ATOM 1050 CG GLN A 62 -14.847 0.082 -4.309 1.00 13.33 C ATOM 1051 CD GLN A 62 -16.132 -0.670 -4.656 1.00 12.11 C ATOM 1052 OE1 GLN A 62 -16.536 -1.595 -3.952 1.00 3.52 O ATOM 1053 NE2 GLN A 62 -16.767 -0.302 -5.757 1.00 33.31 N ATOM 0 H GLN A 62 -11.325 -1.468 -5.626 1.00 23.02 H new ATOM 0 HA GLN A 62 -12.280 1.159 -5.015 1.00 33.34 H new ATOM 0 HB2 GLN A 62 -13.727 -0.477 -6.065 1.00 35.12 H new ATOM 0 HB3 GLN A 62 -13.542 -1.585 -4.720 1.00 35.12 H new ATOM 0 HG2 GLN A 62 -14.709 0.078 -3.228 1.00 13.33 H new ATOM 0 HG3 GLN A 62 -14.947 1.124 -4.614 1.00 13.33 H new ATOM 0 HE21 GLN A 62 -16.407 0.469 -6.320 1.00 33.31 H new ATOM 0 HE22 GLN A 62 -17.616 -0.789 -6.043 1.00 33.31 H new ATOM 1062 N LEU A 63 -11.691 -0.979 -2.507 1.00 21.41 N ATOM 1063 CA LEU A 63 -11.385 -1.103 -1.069 1.00 21.54 C ATOM 1064 C LEU A 63 -10.181 -0.232 -0.696 1.00 53.41 C ATOM 1065 O LEU A 63 -10.147 0.339 0.384 1.00 11.31 O ATOM 1066 CB LEU A 63 -11.101 -2.579 -0.674 1.00 11.41 C ATOM 1067 CG LEU A 63 -12.317 -3.548 -0.706 1.00 13.30 C ATOM 1068 CD1 LEU A 63 -11.898 -4.978 -0.295 1.00 44.13 C ATOM 1069 CD2 LEU A 63 -13.461 -3.018 0.181 1.00 75.53 C ATOM 0 H LEU A 63 -11.588 -1.852 -3.024 1.00 21.41 H new ATOM 0 HA LEU A 63 -12.262 -0.761 -0.519 1.00 21.54 H new ATOM 0 HB2 LEU A 63 -10.334 -2.970 -1.343 1.00 11.41 H new ATOM 0 HB3 LEU A 63 -10.682 -2.589 0.332 1.00 11.41 H new ATOM 0 HG LEU A 63 -12.686 -3.598 -1.730 1.00 13.30 H new ATOM 0 HD11 LEU A 63 -12.767 -5.635 -0.326 1.00 44.13 H new ATOM 0 HD12 LEU A 63 -11.139 -5.347 -0.985 1.00 44.13 H new ATOM 0 HD13 LEU A 63 -11.492 -4.962 0.716 1.00 44.13 H new ATOM 0 HD21 LEU A 63 -14.301 -3.711 0.144 1.00 75.53 H new ATOM 0 HD22 LEU A 63 -13.111 -2.926 1.209 1.00 75.53 H new ATOM 0 HD23 LEU A 63 -13.780 -2.041 -0.182 1.00 75.53 H new ATOM 1081 N LEU A 64 -9.200 -0.148 -1.608 1.00 65.24 N ATOM 1082 CA LEU A 64 -8.027 0.724 -1.437 1.00 13.04 C ATOM 1083 C LEU A 64 -8.468 2.187 -1.235 1.00 52.45 C ATOM 1084 O LEU A 64 -7.974 2.861 -0.330 1.00 73.51 O ATOM 1085 CB LEU A 64 -7.080 0.553 -2.658 1.00 54.34 C ATOM 1086 CG LEU A 64 -5.827 1.504 -2.758 1.00 12.53 C ATOM 1087 CD1 LEU A 64 -4.671 0.813 -3.484 1.00 63.12 C ATOM 1088 CD2 LEU A 64 -6.160 2.836 -3.478 1.00 51.51 C ATOM 0 H LEU A 64 -9.197 -0.679 -2.479 1.00 65.24 H new ATOM 0 HA LEU A 64 -7.476 0.437 -0.541 1.00 13.04 H new ATOM 0 HB2 LEU A 64 -6.720 -0.476 -2.661 1.00 54.34 H new ATOM 0 HB3 LEU A 64 -7.673 0.685 -3.563 1.00 54.34 H new ATOM 0 HG LEU A 64 -5.530 1.733 -1.735 1.00 12.53 H new ATOM 0 HD11 LEU A 64 -3.819 1.491 -3.539 1.00 63.12 H new ATOM 0 HD12 LEU A 64 -4.384 -0.086 -2.939 1.00 63.12 H new ATOM 0 HD13 LEU A 64 -4.985 0.541 -4.492 1.00 63.12 H new ATOM 0 HD21 LEU A 64 -5.266 3.459 -3.523 1.00 51.51 H new ATOM 0 HD22 LEU A 64 -6.507 2.626 -4.490 1.00 51.51 H new ATOM 0 HD23 LEU A 64 -6.941 3.361 -2.928 1.00 51.51 H new ATOM 1100 N LYS A 65 -9.419 2.648 -2.080 1.00 21.32 N ATOM 1101 CA LYS A 65 -9.993 4.006 -1.987 1.00 53.14 C ATOM 1102 C LYS A 65 -10.664 4.229 -0.625 1.00 43.21 C ATOM 1103 O LYS A 65 -10.299 5.172 0.086 1.00 33.13 O ATOM 1104 CB LYS A 65 -11.003 4.239 -3.129 1.00 4.24 C ATOM 1105 CG LYS A 65 -10.376 4.226 -4.537 1.00 34.33 C ATOM 1106 CD LYS A 65 -11.436 4.266 -5.662 1.00 3.13 C ATOM 1107 CE LYS A 65 -12.295 5.540 -5.638 1.00 62.31 C ATOM 1108 NZ LYS A 65 -13.334 5.522 -6.699 1.00 44.23 N ATOM 0 H LYS A 65 -9.807 2.090 -2.841 1.00 21.32 H new ATOM 0 HA LYS A 65 -9.180 4.726 -2.084 1.00 53.14 H new ATOM 0 HB2 LYS A 65 -11.774 3.471 -3.080 1.00 4.24 H new ATOM 0 HB3 LYS A 65 -11.497 5.198 -2.972 1.00 4.24 H new ATOM 0 HG2 LYS A 65 -9.709 5.082 -4.641 1.00 34.33 H new ATOM 0 HG3 LYS A 65 -9.765 3.330 -4.650 1.00 34.33 H new ATOM 0 HD2 LYS A 65 -10.935 4.191 -6.627 1.00 3.13 H new ATOM 0 HD3 LYS A 65 -12.086 3.395 -5.572 1.00 3.13 H new ATOM 0 HE2 LYS A 65 -12.772 5.639 -4.663 1.00 62.31 H new ATOM 0 HE3 LYS A 65 -11.655 6.413 -5.770 1.00 62.31 H new ATOM 0 HZ1 LYS A 65 -13.894 6.397 -6.652 1.00 44.23 H new ATOM 0 HZ2 LYS A 65 -12.877 5.453 -7.631 1.00 44.23 H new ATOM 0 HZ3 LYS A 65 -13.960 4.703 -6.558 1.00 44.23 H new ATOM 1122 N GLU A 66 -11.606 3.315 -0.260 1.00 15.25 N ATOM 1123 CA GLU A 66 -12.348 3.373 1.025 1.00 63.44 C ATOM 1124 C GLU A 66 -11.368 3.504 2.209 1.00 41.51 C ATOM 1125 O GLU A 66 -11.513 4.383 3.066 1.00 35.25 O ATOM 1126 CB GLU A 66 -13.211 2.091 1.242 1.00 2.22 C ATOM 1127 CG GLU A 66 -14.186 1.732 0.106 1.00 21.23 C ATOM 1128 CD GLU A 66 -15.217 2.830 -0.198 1.00 54.35 C ATOM 1129 OE1 GLU A 66 -16.076 3.107 0.668 1.00 5.32 O ATOM 1130 OE2 GLU A 66 -15.192 3.406 -1.305 1.00 65.43 O ATOM 0 H GLU A 66 -11.869 2.523 -0.847 1.00 15.25 H new ATOM 0 HA GLU A 66 -13.002 4.244 0.979 1.00 63.44 H new ATOM 0 HB2 GLU A 66 -12.539 1.247 1.397 1.00 2.22 H new ATOM 0 HB3 GLU A 66 -13.785 2.215 2.161 1.00 2.22 H new ATOM 0 HG2 GLU A 66 -13.614 1.523 -0.798 1.00 21.23 H new ATOM 0 HG3 GLU A 66 -14.713 0.815 0.369 1.00 21.23 H new ATOM 1137 N MET A 67 -10.340 2.637 2.170 1.00 21.13 N ATOM 1138 CA MET A 67 -9.317 2.498 3.212 1.00 24.32 C ATOM 1139 C MET A 67 -8.501 3.780 3.392 1.00 24.24 C ATOM 1140 O MET A 67 -8.363 4.254 4.509 1.00 2.41 O ATOM 1141 CB MET A 67 -8.385 1.311 2.860 1.00 32.21 C ATOM 1142 CG MET A 67 -7.302 1.000 3.898 1.00 22.15 C ATOM 1143 SD MET A 67 -6.458 -0.552 3.551 1.00 41.22 S ATOM 1144 CE MET A 67 -7.804 -1.734 3.654 1.00 42.32 C ATOM 0 H MET A 67 -10.198 1.997 1.388 1.00 21.13 H new ATOM 0 HA MET A 67 -9.822 2.306 4.159 1.00 24.32 H new ATOM 0 HB2 MET A 67 -8.996 0.420 2.719 1.00 32.21 H new ATOM 0 HB3 MET A 67 -7.901 1.520 1.906 1.00 32.21 H new ATOM 0 HG2 MET A 67 -6.575 1.812 3.917 1.00 22.15 H new ATOM 0 HG3 MET A 67 -7.753 0.953 4.889 1.00 22.15 H new ATOM 0 HE1 MET A 67 -7.633 -2.408 4.493 1.00 42.32 H new ATOM 0 HE2 MET A 67 -8.744 -1.203 3.801 1.00 42.32 H new ATOM 0 HE3 MET A 67 -7.854 -2.310 2.730 1.00 42.32 H new ATOM 1154 N LEU A 68 -7.996 4.345 2.275 1.00 43.03 N ATOM 1155 CA LEU A 68 -7.130 5.550 2.298 1.00 1.22 C ATOM 1156 C LEU A 68 -7.898 6.797 2.755 1.00 61.13 C ATOM 1157 O LEU A 68 -7.308 7.708 3.344 1.00 30.22 O ATOM 1158 CB LEU A 68 -6.493 5.794 0.906 1.00 41.23 C ATOM 1159 CG LEU A 68 -5.429 4.745 0.459 1.00 72.12 C ATOM 1160 CD1 LEU A 68 -4.944 5.028 -0.968 1.00 33.44 C ATOM 1161 CD2 LEU A 68 -4.239 4.699 1.443 1.00 51.14 C ATOM 0 H LEU A 68 -8.173 3.985 1.337 1.00 43.03 H new ATOM 0 HA LEU A 68 -6.337 5.364 3.023 1.00 1.22 H new ATOM 0 HB2 LEU A 68 -7.289 5.818 0.161 1.00 41.23 H new ATOM 0 HB3 LEU A 68 -6.027 6.780 0.907 1.00 41.23 H new ATOM 0 HG LEU A 68 -5.908 3.766 0.467 1.00 72.12 H new ATOM 0 HD11 LEU A 68 -4.203 4.282 -1.255 1.00 33.44 H new ATOM 0 HD12 LEU A 68 -5.789 4.983 -1.655 1.00 33.44 H new ATOM 0 HD13 LEU A 68 -4.495 6.020 -1.010 1.00 33.44 H new ATOM 0 HD21 LEU A 68 -3.515 3.958 1.104 1.00 51.14 H new ATOM 0 HD22 LEU A 68 -3.763 5.679 1.485 1.00 51.14 H new ATOM 0 HD23 LEU A 68 -4.598 4.427 2.436 1.00 51.14 H new ATOM 1173 N GLU A 69 -9.208 6.827 2.470 1.00 32.31 N ATOM 1174 CA GLU A 69 -10.108 7.894 2.944 1.00 24.52 C ATOM 1175 C GLU A 69 -10.329 7.762 4.462 1.00 71.43 C ATOM 1176 O GLU A 69 -10.424 8.763 5.170 1.00 71.12 O ATOM 1177 CB GLU A 69 -11.449 7.843 2.177 1.00 21.13 C ATOM 1178 CG GLU A 69 -11.312 8.093 0.661 1.00 31.23 C ATOM 1179 CD GLU A 69 -12.636 7.929 -0.095 1.00 53.43 C ATOM 1180 OE1 GLU A 69 -13.094 6.776 -0.242 1.00 43.03 O ATOM 1181 OE2 GLU A 69 -13.223 8.942 -0.548 1.00 12.24 O ATOM 0 H GLU A 69 -9.674 6.116 1.907 1.00 32.31 H new ATOM 0 HA GLU A 69 -9.647 8.863 2.751 1.00 24.52 H new ATOM 0 HB2 GLU A 69 -11.909 6.868 2.334 1.00 21.13 H new ATOM 0 HB3 GLU A 69 -12.126 8.586 2.598 1.00 21.13 H new ATOM 0 HG2 GLU A 69 -10.929 9.100 0.498 1.00 31.23 H new ATOM 0 HG3 GLU A 69 -10.577 7.402 0.249 1.00 31.23 H new ATOM 1188 N LEU A 70 -10.381 6.510 4.950 1.00 74.42 N ATOM 1189 CA LEU A 70 -10.483 6.213 6.392 1.00 65.42 C ATOM 1190 C LEU A 70 -9.136 6.477 7.111 1.00 3.21 C ATOM 1191 O LEU A 70 -9.132 6.897 8.268 1.00 5.34 O ATOM 1192 CB LEU A 70 -10.985 4.753 6.605 1.00 51.41 C ATOM 1193 CG LEU A 70 -12.446 4.471 6.107 1.00 61.41 C ATOM 1194 CD1 LEU A 70 -12.807 2.973 6.205 1.00 20.21 C ATOM 1195 CD2 LEU A 70 -13.474 5.340 6.866 1.00 61.12 C ATOM 0 H LEU A 70 -10.354 5.678 4.360 1.00 74.42 H new ATOM 0 HA LEU A 70 -11.216 6.885 6.839 1.00 65.42 H new ATOM 0 HB2 LEU A 70 -10.305 4.073 6.091 1.00 51.41 H new ATOM 0 HB3 LEU A 70 -10.928 4.517 7.668 1.00 51.41 H new ATOM 0 HG LEU A 70 -12.485 4.747 5.053 1.00 61.41 H new ATOM 0 HD11 LEU A 70 -13.826 2.820 5.851 1.00 20.21 H new ATOM 0 HD12 LEU A 70 -12.119 2.392 5.591 1.00 20.21 H new ATOM 0 HD13 LEU A 70 -12.731 2.648 7.242 1.00 20.21 H new ATOM 0 HD21 LEU A 70 -14.477 5.122 6.499 1.00 61.12 H new ATOM 0 HD22 LEU A 70 -13.422 5.118 7.932 1.00 61.12 H new ATOM 0 HD23 LEU A 70 -13.250 6.394 6.704 1.00 61.12 H new ATOM 1207 N ILE A 71 -7.995 6.270 6.399 1.00 45.42 N ATOM 1208 CA ILE A 71 -6.645 6.602 6.925 1.00 22.33 C ATOM 1209 C ILE A 71 -6.466 8.132 6.953 1.00 35.12 C ATOM 1210 O ILE A 71 -5.758 8.664 7.802 1.00 40.45 O ATOM 1211 CB ILE A 71 -5.450 5.974 6.095 1.00 51.03 C ATOM 1212 CG1 ILE A 71 -5.571 4.427 5.964 1.00 2.34 C ATOM 1213 CG2 ILE A 71 -4.098 6.340 6.759 1.00 61.21 C ATOM 1214 CD1 ILE A 71 -4.518 3.760 5.088 1.00 52.12 C ATOM 0 H ILE A 71 -7.985 5.874 5.459 1.00 45.42 H new ATOM 0 HA ILE A 71 -6.601 6.168 7.924 1.00 22.33 H new ATOM 0 HB ILE A 71 -5.497 6.392 5.090 1.00 51.03 H new ATOM 0 HG12 ILE A 71 -5.519 3.990 6.961 1.00 2.34 H new ATOM 0 HG13 ILE A 71 -6.556 4.190 5.563 1.00 2.34 H new ATOM 0 HG21 ILE A 71 -3.281 5.905 6.184 1.00 61.21 H new ATOM 0 HG22 ILE A 71 -3.987 7.424 6.785 1.00 61.21 H new ATOM 0 HG23 ILE A 71 -4.074 5.948 7.776 1.00 61.21 H new ATOM 0 HD11 ILE A 71 -4.693 2.684 5.064 1.00 52.12 H new ATOM 0 HD12 ILE A 71 -4.580 4.160 4.076 1.00 52.12 H new ATOM 0 HD13 ILE A 71 -3.527 3.958 5.496 1.00 52.12 H new ATOM 1226 N SER A 72 -7.132 8.825 6.017 1.00 10.31 N ATOM 1227 CA SER A 72 -7.145 10.295 5.957 1.00 22.44 C ATOM 1228 C SER A 72 -7.863 10.878 7.195 1.00 33.40 C ATOM 1229 O SER A 72 -7.553 11.981 7.644 1.00 55.23 O ATOM 1230 CB SER A 72 -7.828 10.739 4.642 1.00 30.33 C ATOM 1231 OG SER A 72 -7.940 12.144 4.545 1.00 70.21 O ATOM 0 H SER A 72 -7.678 8.381 5.279 1.00 10.31 H new ATOM 0 HA SER A 72 -6.124 10.676 5.966 1.00 22.44 H new ATOM 0 HB2 SER A 72 -7.257 10.363 3.793 1.00 30.33 H new ATOM 0 HB3 SER A 72 -8.820 10.292 4.582 1.00 30.33 H new ATOM 0 HG SER A 72 -8.375 12.380 3.699 1.00 70.21 H new ATOM 1237 N LYS A 73 -8.823 10.109 7.743 1.00 14.52 N ATOM 1238 CA LYS A 73 -9.538 10.451 8.991 1.00 64.04 C ATOM 1239 C LYS A 73 -8.693 10.083 10.235 1.00 72.22 C ATOM 1240 O LYS A 73 -8.930 10.595 11.331 1.00 12.35 O ATOM 1241 CB LYS A 73 -10.898 9.705 9.006 1.00 0.50 C ATOM 1242 CG LYS A 73 -11.812 10.053 7.808 1.00 24.01 C ATOM 1243 CD LYS A 73 -13.085 9.178 7.731 1.00 53.24 C ATOM 1244 CE LYS A 73 -14.060 9.419 8.895 1.00 50.02 C ATOM 1245 NZ LYS A 73 -15.280 8.573 8.773 1.00 24.03 N ATOM 0 H LYS A 73 -9.127 9.227 7.331 1.00 14.52 H new ATOM 0 HA LYS A 73 -9.711 11.527 9.026 1.00 64.04 H new ATOM 0 HB2 LYS A 73 -10.713 8.631 9.010 1.00 0.50 H new ATOM 0 HB3 LYS A 73 -11.422 9.942 9.932 1.00 0.50 H new ATOM 0 HG2 LYS A 73 -12.104 11.101 7.876 1.00 24.01 H new ATOM 0 HG3 LYS A 73 -11.246 9.939 6.884 1.00 24.01 H new ATOM 0 HD2 LYS A 73 -13.598 9.377 6.790 1.00 53.24 H new ATOM 0 HD3 LYS A 73 -12.795 8.127 7.721 1.00 53.24 H new ATOM 0 HE2 LYS A 73 -13.560 9.204 9.839 1.00 50.02 H new ATOM 0 HE3 LYS A 73 -14.347 10.470 8.919 1.00 50.02 H new ATOM 0 HZ1 LYS A 73 -15.915 8.762 9.575 1.00 24.03 H new ATOM 0 HZ2 LYS A 73 -15.770 8.797 7.883 1.00 24.03 H new ATOM 0 HZ3 LYS A 73 -15.008 7.569 8.776 1.00 24.03 H new ATOM 1259 N LEU A 74 -7.727 9.165 10.047 1.00 74.25 N ATOM 1260 CA LEU A 74 -6.776 8.732 11.097 1.00 64.34 C ATOM 1261 C LEU A 74 -5.488 9.593 11.082 1.00 42.42 C ATOM 1262 O LEU A 74 -4.779 9.683 12.093 1.00 63.01 O ATOM 1263 CB LEU A 74 -6.428 7.230 10.890 1.00 33.20 C ATOM 1264 CG LEU A 74 -7.620 6.225 11.023 1.00 11.42 C ATOM 1265 CD1 LEU A 74 -7.192 4.779 10.670 1.00 61.41 C ATOM 1266 CD2 LEU A 74 -8.252 6.299 12.429 1.00 52.15 C ATOM 0 H LEU A 74 -7.580 8.696 9.153 1.00 74.25 H new ATOM 0 HA LEU A 74 -7.248 8.866 12.070 1.00 64.34 H new ATOM 0 HB2 LEU A 74 -5.989 7.113 9.899 1.00 33.20 H new ATOM 0 HB3 LEU A 74 -5.662 6.952 11.614 1.00 33.20 H new ATOM 0 HG LEU A 74 -8.380 6.519 10.300 1.00 11.42 H new ATOM 0 HD11 LEU A 74 -8.047 4.111 10.774 1.00 61.41 H new ATOM 0 HD12 LEU A 74 -6.830 4.747 9.642 1.00 61.41 H new ATOM 0 HD13 LEU A 74 -6.398 4.460 11.345 1.00 61.41 H new ATOM 0 HD21 LEU A 74 -9.078 5.591 12.494 1.00 52.15 H new ATOM 0 HD22 LEU A 74 -7.501 6.051 13.179 1.00 52.15 H new ATOM 0 HD23 LEU A 74 -8.624 7.308 12.608 1.00 52.15 H new ATOM 1278 N GLY A 75 -5.211 10.224 9.923 1.00 10.13 N ATOM 1279 CA GLY A 75 -4.023 11.056 9.712 1.00 31.03 C ATOM 1280 C GLY A 75 -2.692 10.303 9.766 1.00 41.24 C ATOM 1281 O GLY A 75 -1.665 10.913 10.081 1.00 5.33 O ATOM 0 H GLY A 75 -5.815 10.166 9.103 1.00 10.13 H new ATOM 0 HA2 GLY A 75 -4.108 11.546 8.742 1.00 31.03 H new ATOM 0 HA3 GLY A 75 -4.010 11.843 10.466 1.00 31.03 H new ATOM 1285 N TYR A 76 -2.701 8.984 9.457 1.00 71.14 N ATOM 1286 CA TYR A 76 -1.470 8.146 9.490 1.00 51.34 C ATOM 1287 C TYR A 76 -0.639 8.323 8.211 1.00 1.54 C ATOM 1288 O TYR A 76 -1.188 8.573 7.130 1.00 34.20 O ATOM 1289 CB TYR A 76 -1.802 6.646 9.718 1.00 73.25 C ATOM 1290 CG TYR A 76 -2.473 6.333 11.064 1.00 73.44 C ATOM 1291 CD1 TYR A 76 -2.230 7.117 12.200 1.00 75.12 C ATOM 1292 CD2 TYR A 76 -3.350 5.249 11.207 1.00 52.45 C ATOM 1293 CE1 TYR A 76 -2.839 6.841 13.405 1.00 23.34 C ATOM 1294 CE2 TYR A 76 -3.954 4.971 12.419 1.00 71.20 C ATOM 1295 CZ TYR A 76 -3.697 5.772 13.507 1.00 73.20 C ATOM 1296 OH TYR A 76 -4.317 5.512 14.704 1.00 22.24 O ATOM 0 H TYR A 76 -3.542 8.476 9.183 1.00 71.14 H new ATOM 0 HA TYR A 76 -0.874 8.490 10.336 1.00 51.34 H new ATOM 0 HB2 TYR A 76 -2.456 6.307 8.914 1.00 73.25 H new ATOM 0 HB3 TYR A 76 -0.880 6.069 9.644 1.00 73.25 H new ATOM 0 HD1 TYR A 76 -1.552 7.954 12.130 1.00 75.12 H new ATOM 0 HD2 TYR A 76 -3.558 4.619 10.355 1.00 52.45 H new ATOM 0 HE1 TYR A 76 -2.643 7.462 14.266 1.00 23.34 H new ATOM 0 HE2 TYR A 76 -4.624 4.129 12.511 1.00 71.20 H new ATOM 0 HH TYR A 76 -5.273 5.712 14.627 1.00 22.24 H new ATOM 1306 N LYS A 77 0.694 8.201 8.364 1.00 14.44 N ATOM 1307 CA LYS A 77 1.665 8.410 7.281 1.00 64.11 C ATOM 1308 C LYS A 77 1.672 7.203 6.329 1.00 61.32 C ATOM 1309 O LYS A 77 2.053 6.108 6.731 1.00 12.40 O ATOM 1310 CB LYS A 77 3.083 8.641 7.880 1.00 35.23 C ATOM 1311 CG LYS A 77 4.187 8.878 6.827 1.00 61.31 C ATOM 1312 CD LYS A 77 3.904 10.123 5.953 1.00 22.15 C ATOM 1313 CE LYS A 77 4.888 10.265 4.791 1.00 32.15 C ATOM 1314 NZ LYS A 77 4.607 11.478 3.985 1.00 74.55 N ATOM 0 H LYS A 77 1.128 7.952 9.253 1.00 14.44 H new ATOM 0 HA LYS A 77 1.376 9.293 6.711 1.00 64.11 H new ATOM 0 HB2 LYS A 77 3.046 9.500 8.550 1.00 35.23 H new ATOM 0 HB3 LYS A 77 3.354 7.776 8.485 1.00 35.23 H new ATOM 0 HG2 LYS A 77 5.146 9.000 7.330 1.00 61.31 H new ATOM 0 HG3 LYS A 77 4.272 7.999 6.188 1.00 61.31 H new ATOM 0 HD2 LYS A 77 2.889 10.062 5.559 1.00 22.15 H new ATOM 0 HD3 LYS A 77 3.951 11.017 6.575 1.00 22.15 H new ATOM 0 HE2 LYS A 77 5.906 10.312 5.179 1.00 32.15 H new ATOM 0 HE3 LYS A 77 4.830 9.382 4.154 1.00 32.15 H new ATOM 0 HZ1 LYS A 77 4.233 11.198 3.056 1.00 74.55 H new ATOM 0 HZ2 LYS A 77 3.906 12.067 4.478 1.00 74.55 H new ATOM 0 HZ3 LYS A 77 5.485 12.020 3.856 1.00 74.55 H new ATOM 1328 N VAL A 78 1.253 7.414 5.068 1.00 41.21 N ATOM 1329 CA VAL A 78 1.117 6.330 4.073 1.00 72.22 C ATOM 1330 C VAL A 78 2.032 6.545 2.861 1.00 2.51 C ATOM 1331 O VAL A 78 2.136 7.656 2.320 1.00 63.30 O ATOM 1332 CB VAL A 78 -0.379 6.170 3.594 1.00 70.05 C ATOM 1333 CG1 VAL A 78 -0.542 5.106 2.473 1.00 63.42 C ATOM 1334 CG2 VAL A 78 -1.283 5.835 4.791 1.00 23.40 C ATOM 0 H VAL A 78 1.000 8.335 4.710 1.00 41.21 H new ATOM 0 HA VAL A 78 1.425 5.412 4.573 1.00 72.22 H new ATOM 0 HB VAL A 78 -0.682 7.125 3.164 1.00 70.05 H new ATOM 0 HG11 VAL A 78 -1.591 5.040 2.184 1.00 63.42 H new ATOM 0 HG12 VAL A 78 0.055 5.394 1.608 1.00 63.42 H new ATOM 0 HG13 VAL A 78 -0.205 4.137 2.840 1.00 63.42 H new ATOM 0 HG21 VAL A 78 -2.313 5.727 4.450 1.00 23.40 H new ATOM 0 HG22 VAL A 78 -0.952 4.902 5.247 1.00 23.40 H new ATOM 0 HG23 VAL A 78 -1.227 6.638 5.526 1.00 23.40 H new ATOM 1344 N PHE A 79 2.695 5.452 2.467 1.00 41.40 N ATOM 1345 CA PHE A 79 3.409 5.325 1.199 1.00 1.23 C ATOM 1346 C PHE A 79 2.645 4.298 0.352 1.00 5.34 C ATOM 1347 O PHE A 79 2.514 3.138 0.763 1.00 34.55 O ATOM 1348 CB PHE A 79 4.853 4.841 1.443 1.00 24.41 C ATOM 1349 CG PHE A 79 5.710 5.783 2.287 1.00 50.45 C ATOM 1350 CD1 PHE A 79 5.728 5.689 3.683 1.00 63.14 C ATOM 1351 CD2 PHE A 79 6.506 6.756 1.685 1.00 14.11 C ATOM 1352 CE1 PHE A 79 6.512 6.535 4.439 1.00 72.32 C ATOM 1353 CE2 PHE A 79 7.288 7.596 2.445 1.00 12.33 C ATOM 1354 CZ PHE A 79 7.292 7.485 3.817 1.00 3.42 C ATOM 0 H PHE A 79 2.749 4.610 3.040 1.00 41.40 H new ATOM 0 HA PHE A 79 3.463 6.287 0.690 1.00 1.23 H new ATOM 0 HB2 PHE A 79 4.817 3.868 1.933 1.00 24.41 H new ATOM 0 HB3 PHE A 79 5.340 4.695 0.479 1.00 24.41 H new ATOM 0 HD1 PHE A 79 5.120 4.944 4.175 1.00 63.14 H new ATOM 0 HD2 PHE A 79 6.509 6.852 0.609 1.00 14.11 H new ATOM 0 HE1 PHE A 79 6.514 6.453 5.516 1.00 72.32 H new ATOM 0 HE2 PHE A 79 7.900 8.344 1.963 1.00 12.33 H new ATOM 0 HZ PHE A 79 7.909 8.145 4.408 1.00 3.42 H new ATOM 1364 N LEU A 80 2.120 4.725 -0.799 1.00 35.22 N ATOM 1365 CA LEU A 80 1.264 3.877 -1.648 1.00 33.24 C ATOM 1366 C LEU A 80 2.044 3.380 -2.874 1.00 1.32 C ATOM 1367 O LEU A 80 2.574 4.180 -3.643 1.00 63.14 O ATOM 1368 CB LEU A 80 -0.008 4.660 -2.079 1.00 62.42 C ATOM 1369 CG LEU A 80 -0.994 3.911 -3.045 1.00 34.03 C ATOM 1370 CD1 LEU A 80 -1.498 2.584 -2.451 1.00 54.53 C ATOM 1371 CD2 LEU A 80 -2.176 4.814 -3.446 1.00 20.11 C ATOM 0 H LEU A 80 2.272 5.662 -1.172 1.00 35.22 H new ATOM 0 HA LEU A 80 0.952 3.006 -1.072 1.00 33.24 H new ATOM 0 HB2 LEU A 80 -0.557 4.941 -1.180 1.00 62.42 H new ATOM 0 HB3 LEU A 80 0.307 5.585 -2.562 1.00 62.42 H new ATOM 0 HG LEU A 80 -0.427 3.668 -3.944 1.00 34.03 H new ATOM 0 HD11 LEU A 80 -2.176 2.104 -3.156 1.00 54.53 H new ATOM 0 HD12 LEU A 80 -0.650 1.926 -2.258 1.00 54.53 H new ATOM 0 HD13 LEU A 80 -2.025 2.780 -1.517 1.00 54.53 H new ATOM 0 HD21 LEU A 80 -2.841 4.267 -4.115 1.00 20.11 H new ATOM 0 HD22 LEU A 80 -2.725 5.113 -2.553 1.00 20.11 H new ATOM 0 HD23 LEU A 80 -1.800 5.702 -3.954 1.00 20.11 H new ATOM 1383 N LEU A 81 2.132 2.050 -3.029 1.00 73.43 N ATOM 1384 CA LEU A 81 2.668 1.413 -4.235 1.00 74.42 C ATOM 1385 C LEU A 81 1.507 0.797 -5.023 1.00 4.23 C ATOM 1386 O LEU A 81 0.838 -0.121 -4.543 1.00 72.11 O ATOM 1387 CB LEU A 81 3.716 0.323 -3.888 1.00 2.35 C ATOM 1388 CG LEU A 81 4.417 -0.344 -5.120 1.00 43.45 C ATOM 1389 CD1 LEU A 81 5.128 0.709 -6.001 1.00 52.22 C ATOM 1390 CD2 LEU A 81 5.390 -1.457 -4.679 1.00 13.22 C ATOM 0 H LEU A 81 1.831 1.386 -2.316 1.00 73.43 H new ATOM 0 HA LEU A 81 3.173 2.169 -4.836 1.00 74.42 H new ATOM 0 HB2 LEU A 81 4.481 0.767 -3.251 1.00 2.35 H new ATOM 0 HB3 LEU A 81 3.227 -0.456 -3.303 1.00 2.35 H new ATOM 0 HG LEU A 81 3.640 -0.809 -5.727 1.00 43.45 H new ATOM 0 HD11 LEU A 81 5.604 0.214 -6.847 1.00 52.22 H new ATOM 0 HD12 LEU A 81 4.397 1.430 -6.367 1.00 52.22 H new ATOM 0 HD13 LEU A 81 5.884 1.226 -5.411 1.00 52.22 H new ATOM 0 HD21 LEU A 81 5.859 -1.899 -5.558 1.00 13.22 H new ATOM 0 HD22 LEU A 81 6.158 -1.033 -4.032 1.00 13.22 H new ATOM 0 HD23 LEU A 81 4.841 -2.226 -4.135 1.00 13.22 H new ATOM 1402 N LEU A 82 1.253 1.342 -6.207 1.00 2.41 N ATOM 1403 CA LEU A 82 0.256 0.824 -7.146 1.00 41.31 C ATOM 1404 C LEU A 82 0.967 0.033 -8.257 1.00 22.35 C ATOM 1405 O LEU A 82 1.997 0.476 -8.780 1.00 11.31 O ATOM 1406 CB LEU A 82 -0.554 2.002 -7.748 1.00 32.44 C ATOM 1407 CG LEU A 82 -1.481 2.782 -6.770 1.00 22.31 C ATOM 1408 CD1 LEU A 82 -2.180 3.966 -7.479 1.00 33.52 C ATOM 1409 CD2 LEU A 82 -2.514 1.839 -6.123 1.00 42.02 C ATOM 0 H LEU A 82 1.740 2.170 -6.550 1.00 2.41 H new ATOM 0 HA LEU A 82 -0.433 0.159 -6.625 1.00 41.31 H new ATOM 0 HB2 LEU A 82 0.149 2.709 -8.188 1.00 32.44 H new ATOM 0 HB3 LEU A 82 -1.167 1.614 -8.562 1.00 32.44 H new ATOM 0 HG LEU A 82 -0.855 3.195 -5.978 1.00 22.31 H new ATOM 0 HD11 LEU A 82 -2.820 4.489 -6.768 1.00 33.52 H new ATOM 0 HD12 LEU A 82 -1.428 4.654 -7.865 1.00 33.52 H new ATOM 0 HD13 LEU A 82 -2.786 3.590 -8.304 1.00 33.52 H new ATOM 0 HD21 LEU A 82 -3.150 2.407 -5.444 1.00 42.02 H new ATOM 0 HD22 LEU A 82 -3.128 1.384 -6.900 1.00 42.02 H new ATOM 0 HD23 LEU A 82 -1.996 1.058 -5.567 1.00 42.02 H new ATOM 1421 N GLN A 83 0.409 -1.129 -8.607 1.00 34.12 N ATOM 1422 CA GLN A 83 0.921 -1.986 -9.678 1.00 15.23 C ATOM 1423 C GLN A 83 -0.257 -2.526 -10.487 1.00 41.44 C ATOM 1424 O GLN A 83 -1.008 -3.395 -10.020 1.00 43.22 O ATOM 1425 CB GLN A 83 1.794 -3.140 -9.116 1.00 63.23 C ATOM 1426 CG GLN A 83 2.302 -4.139 -10.191 1.00 52.11 C ATOM 1427 CD GLN A 83 3.416 -5.061 -9.702 1.00 53.03 C ATOM 1428 OE1 GLN A 83 3.527 -5.355 -8.514 1.00 3.55 O ATOM 1429 NE2 GLN A 83 4.213 -5.561 -10.625 1.00 15.54 N ATOM 0 H GLN A 83 -0.421 -1.505 -8.149 1.00 34.12 H new ATOM 0 HA GLN A 83 1.566 -1.395 -10.329 1.00 15.23 H new ATOM 0 HB2 GLN A 83 2.653 -2.712 -8.600 1.00 63.23 H new ATOM 0 HB3 GLN A 83 1.216 -3.688 -8.372 1.00 63.23 H new ATOM 0 HG2 GLN A 83 1.464 -4.747 -10.532 1.00 52.11 H new ATOM 0 HG3 GLN A 83 2.661 -3.578 -11.054 1.00 52.11 H new ATOM 0 HE21 GLN A 83 4.092 -5.295 -11.602 1.00 15.54 H new ATOM 0 HE22 GLN A 83 4.951 -6.214 -10.362 1.00 15.54 H new ATOM 1438 N ASP A 84 -0.413 -1.985 -11.693 1.00 73.12 N ATOM 1439 CA ASP A 84 -1.507 -2.323 -12.604 1.00 60.45 C ATOM 1440 C ASP A 84 -0.957 -2.369 -14.034 1.00 0.04 C ATOM 1441 O ASP A 84 -0.005 -1.646 -14.351 1.00 14.30 O ATOM 1442 CB ASP A 84 -2.642 -1.274 -12.455 1.00 53.54 C ATOM 1443 CG ASP A 84 -3.927 -1.633 -13.207 1.00 71.40 C ATOM 1444 OD1 ASP A 84 -4.761 -2.386 -12.649 1.00 51.14 O ATOM 1445 OD2 ASP A 84 -4.112 -1.183 -14.361 1.00 52.41 O ATOM 0 H ASP A 84 0.227 -1.288 -12.072 1.00 73.12 H new ATOM 0 HA ASP A 84 -1.926 -3.301 -12.365 1.00 60.45 H new ATOM 0 HB2 ASP A 84 -2.874 -1.154 -11.397 1.00 53.54 H new ATOM 0 HB3 ASP A 84 -2.281 -0.310 -12.814 1.00 53.54 H new ATOM 1450 N GLN A 85 -1.545 -3.233 -14.877 1.00 33.45 N ATOM 1451 CA GLN A 85 -1.082 -3.459 -16.259 1.00 65.23 C ATOM 1452 C GLN A 85 -1.202 -2.182 -17.117 1.00 52.45 C ATOM 1453 O GLN A 85 -0.292 -1.855 -17.889 1.00 50.34 O ATOM 1454 CB GLN A 85 -1.888 -4.633 -16.888 1.00 41.13 C ATOM 1455 CG GLN A 85 -1.528 -4.974 -18.353 1.00 35.31 C ATOM 1456 CD GLN A 85 -2.283 -6.190 -18.907 1.00 30.22 C ATOM 1457 OE1 GLN A 85 -2.625 -7.125 -18.176 1.00 52.03 O ATOM 1458 NE2 GLN A 85 -2.537 -6.195 -20.207 1.00 31.43 N ATOM 0 H GLN A 85 -2.356 -3.796 -14.621 1.00 33.45 H new ATOM 0 HA GLN A 85 -0.025 -3.723 -16.232 1.00 65.23 H new ATOM 0 HB2 GLN A 85 -1.737 -5.523 -16.278 1.00 41.13 H new ATOM 0 HB3 GLN A 85 -2.949 -4.390 -16.840 1.00 41.13 H new ATOM 0 HG2 GLN A 85 -1.740 -4.109 -18.981 1.00 35.31 H new ATOM 0 HG3 GLN A 85 -0.456 -5.161 -18.420 1.00 35.31 H new ATOM 0 HE21 GLN A 85 -2.243 -5.409 -20.787 1.00 31.43 H new ATOM 0 HE22 GLN A 85 -3.027 -6.985 -20.628 1.00 31.43 H new ATOM 1467 N ASP A 86 -2.309 -1.455 -16.946 1.00 44.11 N ATOM 1468 CA ASP A 86 -2.644 -0.298 -17.786 1.00 33.34 C ATOM 1469 C ASP A 86 -2.090 0.992 -17.159 1.00 54.15 C ATOM 1470 O ASP A 86 -2.739 1.587 -16.302 1.00 33.43 O ATOM 1471 CB ASP A 86 -4.178 -0.194 -17.964 1.00 70.14 C ATOM 1472 CG ASP A 86 -4.788 -1.399 -18.686 1.00 52.11 C ATOM 1473 OD1 ASP A 86 -5.006 -2.448 -18.035 1.00 31.04 O ATOM 1474 OD2 ASP A 86 -5.046 -1.310 -19.909 1.00 20.24 O ATOM 0 H ASP A 86 -3.000 -1.650 -16.221 1.00 44.11 H new ATOM 0 HA ASP A 86 -2.187 -0.432 -18.767 1.00 33.34 H new ATOM 0 HB2 ASP A 86 -4.644 -0.092 -16.984 1.00 70.14 H new ATOM 0 HB3 ASP A 86 -4.411 0.712 -18.523 1.00 70.14 H new ATOM 1479 N GLU A 87 -0.886 1.407 -17.613 1.00 40.22 N ATOM 1480 CA GLU A 87 -0.175 2.623 -17.141 1.00 54.14 C ATOM 1481 C GLU A 87 -1.017 3.910 -17.270 1.00 42.11 C ATOM 1482 O GLU A 87 -0.876 4.832 -16.451 1.00 73.05 O ATOM 1483 CB GLU A 87 1.154 2.777 -17.941 1.00 11.11 C ATOM 1484 CG GLU A 87 2.280 1.814 -17.506 1.00 33.14 C ATOM 1485 CD GLU A 87 3.010 2.288 -16.236 1.00 41.41 C ATOM 1486 OE1 GLU A 87 2.555 1.989 -15.113 1.00 3.30 O ATOM 1487 OE2 GLU A 87 4.039 2.996 -16.358 1.00 21.30 O ATOM 0 H GLU A 87 -0.369 0.899 -18.331 1.00 40.22 H new ATOM 0 HA GLU A 87 0.025 2.490 -16.078 1.00 54.14 H new ATOM 0 HB2 GLU A 87 0.946 2.618 -18.999 1.00 11.11 H new ATOM 0 HB3 GLU A 87 1.509 3.802 -17.836 1.00 11.11 H new ATOM 0 HG2 GLU A 87 1.858 0.825 -17.330 1.00 33.14 H new ATOM 0 HG3 GLU A 87 3.000 1.713 -18.318 1.00 33.14 H new ATOM 1494 N ASN A 88 -1.870 3.948 -18.307 1.00 1.32 N ATOM 1495 CA ASN A 88 -2.752 5.094 -18.604 1.00 45.14 C ATOM 1496 C ASN A 88 -3.702 5.381 -17.421 1.00 65.23 C ATOM 1497 O ASN A 88 -3.656 6.469 -16.833 1.00 24.13 O ATOM 1498 CB ASN A 88 -3.559 4.834 -19.911 1.00 43.03 C ATOM 1499 CG ASN A 88 -2.679 4.678 -21.166 1.00 3.12 C ATOM 1500 OD1 ASN A 88 -1.499 4.330 -21.089 1.00 20.13 O ATOM 1501 ND2 ASN A 88 -3.255 4.901 -22.337 1.00 71.20 N ATOM 0 H ASN A 88 -1.969 3.179 -18.970 1.00 1.32 H new ATOM 0 HA ASN A 88 -2.128 5.975 -18.753 1.00 45.14 H new ATOM 0 HB2 ASN A 88 -4.157 3.932 -19.784 1.00 43.03 H new ATOM 0 HB3 ASN A 88 -4.255 5.658 -20.067 1.00 43.03 H new ATOM 0 HD21 ASN A 88 -2.721 4.785 -23.198 1.00 71.20 H new ATOM 0 HD22 ASN A 88 -4.233 5.188 -22.378 1.00 71.20 H new ATOM 1508 N GLU A 89 -4.505 4.363 -17.032 1.00 34.33 N ATOM 1509 CA GLU A 89 -5.505 4.498 -15.949 1.00 3.23 C ATOM 1510 C GLU A 89 -4.867 4.301 -14.569 1.00 64.31 C ATOM 1511 O GLU A 89 -5.470 4.656 -13.550 1.00 4.43 O ATOM 1512 CB GLU A 89 -6.694 3.529 -16.161 1.00 13.30 C ATOM 1513 CG GLU A 89 -6.340 2.034 -16.176 1.00 33.11 C ATOM 1514 CD GLU A 89 -7.546 1.147 -16.533 1.00 11.42 C ATOM 1515 OE1 GLU A 89 -7.842 0.975 -17.734 1.00 53.35 O ATOM 1516 OE2 GLU A 89 -8.225 0.643 -15.617 1.00 2.13 O ATOM 0 H GLU A 89 -4.478 3.435 -17.455 1.00 34.33 H new ATOM 0 HA GLU A 89 -5.895 5.515 -15.987 1.00 3.23 H new ATOM 0 HB2 GLU A 89 -7.426 3.703 -15.372 1.00 13.30 H new ATOM 0 HB3 GLU A 89 -7.178 3.778 -17.105 1.00 13.30 H new ATOM 0 HG2 GLU A 89 -5.540 1.861 -16.895 1.00 33.11 H new ATOM 0 HG3 GLU A 89 -5.957 1.745 -15.197 1.00 33.11 H new ATOM 1523 N LEU A 90 -3.655 3.721 -14.544 1.00 54.52 N ATOM 1524 CA LEU A 90 -2.858 3.575 -13.320 1.00 13.12 C ATOM 1525 C LEU A 90 -2.339 4.953 -12.852 1.00 3.23 C ATOM 1526 O LEU A 90 -2.301 5.231 -11.649 1.00 32.21 O ATOM 1527 CB LEU A 90 -1.688 2.575 -13.560 1.00 53.05 C ATOM 1528 CG LEU A 90 -0.724 2.315 -12.362 1.00 54.42 C ATOM 1529 CD1 LEU A 90 -1.488 1.946 -11.088 1.00 54.05 C ATOM 1530 CD2 LEU A 90 0.341 1.252 -12.707 1.00 54.13 C ATOM 0 H LEU A 90 -3.202 3.340 -15.375 1.00 54.52 H new ATOM 0 HA LEU A 90 -3.488 3.171 -12.527 1.00 13.12 H new ATOM 0 HB2 LEU A 90 -2.116 1.620 -13.865 1.00 53.05 H new ATOM 0 HB3 LEU A 90 -1.096 2.941 -14.399 1.00 53.05 H new ATOM 0 HG LEU A 90 -0.200 3.251 -12.167 1.00 54.42 H new ATOM 0 HD11 LEU A 90 -0.781 1.773 -10.277 1.00 54.05 H new ATOM 0 HD12 LEU A 90 -2.159 2.761 -10.817 1.00 54.05 H new ATOM 0 HD13 LEU A 90 -2.070 1.041 -11.262 1.00 54.05 H new ATOM 0 HD21 LEU A 90 0.994 1.099 -11.848 1.00 54.13 H new ATOM 0 HD22 LEU A 90 -0.151 0.313 -12.961 1.00 54.13 H new ATOM 0 HD23 LEU A 90 0.933 1.593 -13.556 1.00 54.13 H new ATOM 1542 N GLU A 91 -1.951 5.813 -13.820 1.00 10.21 N ATOM 1543 CA GLU A 91 -1.490 7.186 -13.531 1.00 70.43 C ATOM 1544 C GLU A 91 -2.684 8.102 -13.228 1.00 5.12 C ATOM 1545 O GLU A 91 -2.584 8.984 -12.371 1.00 51.45 O ATOM 1546 CB GLU A 91 -0.635 7.750 -14.694 1.00 74.43 C ATOM 1547 CG GLU A 91 0.024 9.114 -14.378 1.00 14.43 C ATOM 1548 CD GLU A 91 0.949 9.621 -15.490 1.00 73.03 C ATOM 1549 OE1 GLU A 91 0.457 10.274 -16.436 1.00 50.52 O ATOM 1550 OE2 GLU A 91 2.172 9.367 -15.424 1.00 70.01 O ATOM 0 H GLU A 91 -1.949 5.577 -14.812 1.00 10.21 H new ATOM 0 HA GLU A 91 -0.854 7.149 -12.646 1.00 70.43 H new ATOM 0 HB2 GLU A 91 0.144 7.029 -14.943 1.00 74.43 H new ATOM 0 HB3 GLU A 91 -1.265 7.857 -15.577 1.00 74.43 H new ATOM 0 HG2 GLU A 91 -0.757 9.853 -14.202 1.00 14.43 H new ATOM 0 HG3 GLU A 91 0.595 9.027 -13.454 1.00 14.43 H new ATOM 1557 N GLU A 92 -3.808 7.876 -13.945 1.00 40.11 N ATOM 1558 CA GLU A 92 -5.104 8.530 -13.648 1.00 20.22 C ATOM 1559 C GLU A 92 -5.505 8.321 -12.175 1.00 53.22 C ATOM 1560 O GLU A 92 -5.904 9.262 -11.488 1.00 51.43 O ATOM 1561 CB GLU A 92 -6.212 7.964 -14.570 1.00 12.35 C ATOM 1562 CG GLU A 92 -6.128 8.402 -16.041 1.00 42.44 C ATOM 1563 CD GLU A 92 -6.421 9.895 -16.230 1.00 62.35 C ATOM 1564 OE1 GLU A 92 -7.589 10.297 -16.054 1.00 42.53 O ATOM 1565 OE2 GLU A 92 -5.503 10.676 -16.554 1.00 61.33 O ATOM 0 H GLU A 92 -3.843 7.239 -14.741 1.00 40.11 H new ATOM 0 HA GLU A 92 -4.989 9.599 -13.830 1.00 20.22 H new ATOM 0 HB2 GLU A 92 -6.175 6.875 -14.529 1.00 12.35 H new ATOM 0 HB3 GLU A 92 -7.181 8.265 -14.173 1.00 12.35 H new ATOM 0 HG2 GLU A 92 -5.133 8.179 -16.426 1.00 42.44 H new ATOM 0 HG3 GLU A 92 -6.836 7.819 -16.631 1.00 42.44 H new ATOM 1572 N PHE A 93 -5.360 7.072 -11.721 1.00 23.22 N ATOM 1573 CA PHE A 93 -5.709 6.646 -10.361 1.00 41.15 C ATOM 1574 C PHE A 93 -4.668 7.155 -9.341 1.00 61.45 C ATOM 1575 O PHE A 93 -5.027 7.524 -8.214 1.00 51.30 O ATOM 1576 CB PHE A 93 -5.809 5.095 -10.345 1.00 32.51 C ATOM 1577 CG PHE A 93 -6.412 4.491 -9.083 1.00 55.43 C ATOM 1578 CD1 PHE A 93 -7.697 4.849 -8.672 1.00 2.42 C ATOM 1579 CD2 PHE A 93 -5.715 3.549 -8.321 1.00 3.05 C ATOM 1580 CE1 PHE A 93 -8.260 4.288 -7.548 1.00 30.01 C ATOM 1581 CE2 PHE A 93 -6.282 2.992 -7.193 1.00 52.24 C ATOM 1582 CZ PHE A 93 -7.554 3.362 -6.807 1.00 33.44 C ATOM 0 H PHE A 93 -4.991 6.316 -12.297 1.00 23.22 H new ATOM 0 HA PHE A 93 -6.669 7.074 -10.071 1.00 41.15 H new ATOM 0 HB2 PHE A 93 -6.406 4.778 -11.200 1.00 32.51 H new ATOM 0 HB3 PHE A 93 -4.810 4.682 -10.483 1.00 32.51 H new ATOM 0 HD1 PHE A 93 -8.257 5.575 -9.243 1.00 2.42 H new ATOM 0 HD2 PHE A 93 -4.720 3.253 -8.619 1.00 3.05 H new ATOM 0 HE1 PHE A 93 -9.257 4.573 -7.245 1.00 30.01 H new ATOM 0 HE2 PHE A 93 -5.731 2.267 -6.613 1.00 52.24 H new ATOM 0 HZ PHE A 93 -7.998 2.926 -5.924 1.00 33.44 H new ATOM 1592 N LYS A 94 -3.380 7.190 -9.769 1.00 63.51 N ATOM 1593 CA LYS A 94 -2.258 7.662 -8.934 1.00 61.44 C ATOM 1594 C LYS A 94 -2.448 9.128 -8.530 1.00 52.21 C ATOM 1595 O LYS A 94 -2.499 9.437 -7.340 1.00 14.12 O ATOM 1596 CB LYS A 94 -0.887 7.506 -9.665 1.00 2.15 C ATOM 1597 CG LYS A 94 0.311 8.144 -8.903 1.00 40.12 C ATOM 1598 CD LYS A 94 1.673 7.937 -9.593 1.00 63.10 C ATOM 1599 CE LYS A 94 1.795 8.701 -10.919 1.00 24.31 C ATOM 1600 NZ LYS A 94 1.784 10.174 -10.712 1.00 13.44 N ATOM 0 H LYS A 94 -3.096 6.891 -10.702 1.00 63.51 H new ATOM 0 HA LYS A 94 -2.251 7.039 -8.040 1.00 61.44 H new ATOM 0 HB2 LYS A 94 -0.686 6.445 -9.816 1.00 2.15 H new ATOM 0 HB3 LYS A 94 -0.960 7.960 -10.653 1.00 2.15 H new ATOM 0 HG2 LYS A 94 0.130 9.213 -8.792 1.00 40.12 H new ATOM 0 HG3 LYS A 94 0.356 7.722 -7.899 1.00 40.12 H new ATOM 0 HD2 LYS A 94 2.468 8.259 -8.920 1.00 63.10 H new ATOM 0 HD3 LYS A 94 1.823 6.873 -9.778 1.00 63.10 H new ATOM 0 HE2 LYS A 94 2.718 8.412 -11.421 1.00 24.31 H new ATOM 0 HE3 LYS A 94 0.973 8.420 -11.577 1.00 24.31 H new ATOM 0 HZ1 LYS A 94 0.979 10.590 -11.222 1.00 13.44 H new ATOM 0 HZ2 LYS A 94 1.695 10.381 -9.697 1.00 13.44 H new ATOM 0 HZ3 LYS A 94 2.670 10.582 -11.072 1.00 13.44 H new ATOM 1614 N ARG A 95 -2.595 10.004 -9.553 1.00 50.41 N ATOM 1615 CA ARG A 95 -2.583 11.474 -9.381 1.00 71.15 C ATOM 1616 C ARG A 95 -3.709 11.981 -8.463 1.00 41.02 C ATOM 1617 O ARG A 95 -3.584 13.052 -7.878 1.00 44.22 O ATOM 1618 CB ARG A 95 -2.644 12.194 -10.758 1.00 1.52 C ATOM 1619 CG ARG A 95 -3.931 11.951 -11.585 1.00 75.42 C ATOM 1620 CD ARG A 95 -3.945 12.751 -12.904 1.00 51.42 C ATOM 1621 NE ARG A 95 -5.149 12.461 -13.723 1.00 13.35 N ATOM 1622 CZ ARG A 95 -5.927 13.380 -14.326 1.00 72.22 C ATOM 1623 NH1 ARG A 95 -5.673 14.680 -14.210 1.00 22.13 N ATOM 1624 NH2 ARG A 95 -6.965 12.987 -15.044 1.00 41.03 N ATOM 0 H ARG A 95 -2.725 9.709 -10.521 1.00 50.41 H new ATOM 0 HA ARG A 95 -1.640 11.717 -8.891 1.00 71.15 H new ATOM 0 HB2 ARG A 95 -2.537 13.266 -10.592 1.00 1.52 H new ATOM 0 HB3 ARG A 95 -1.787 11.877 -11.352 1.00 1.52 H new ATOM 0 HG2 ARG A 95 -4.021 10.888 -11.808 1.00 75.42 H new ATOM 0 HG3 ARG A 95 -4.800 12.226 -10.988 1.00 75.42 H new ATOM 0 HD2 ARG A 95 -3.908 13.817 -12.681 1.00 51.42 H new ATOM 0 HD3 ARG A 95 -3.050 12.515 -13.480 1.00 51.42 H new ATOM 0 HE ARG A 95 -5.409 11.482 -13.839 1.00 13.35 H new ATOM 0 HH11 ARG A 95 -4.877 14.997 -13.657 1.00 22.13 H new ATOM 0 HH12 ARG A 95 -6.274 15.361 -14.675 1.00 22.13 H new ATOM 0 HH21 ARG A 95 -7.173 11.993 -15.139 1.00 41.03 H new ATOM 0 HH22 ARG A 95 -7.558 13.678 -15.503 1.00 41.03 H new ATOM 1638 N LYS A 96 -4.796 11.197 -8.353 1.00 41.13 N ATOM 1639 CA LYS A 96 -5.933 11.499 -7.463 1.00 1.15 C ATOM 1640 C LYS A 96 -5.516 11.395 -5.990 1.00 32.42 C ATOM 1641 O LYS A 96 -5.718 12.326 -5.202 1.00 33.50 O ATOM 1642 CB LYS A 96 -7.101 10.525 -7.768 1.00 3.20 C ATOM 1643 CG LYS A 96 -7.677 10.678 -9.185 1.00 32.43 C ATOM 1644 CD LYS A 96 -8.788 9.650 -9.500 1.00 62.14 C ATOM 1645 CE LYS A 96 -9.392 9.862 -10.894 1.00 54.04 C ATOM 1646 NZ LYS A 96 -10.011 11.207 -11.041 1.00 72.33 N ATOM 0 H LYS A 96 -4.912 10.332 -8.881 1.00 41.13 H new ATOM 0 HA LYS A 96 -6.262 12.522 -7.645 1.00 1.15 H new ATOM 0 HB2 LYS A 96 -6.753 9.501 -7.635 1.00 3.20 H new ATOM 0 HB3 LYS A 96 -7.897 10.688 -7.042 1.00 3.20 H new ATOM 0 HG2 LYS A 96 -8.078 11.685 -9.301 1.00 32.43 H new ATOM 0 HG3 LYS A 96 -6.872 10.569 -9.912 1.00 32.43 H new ATOM 0 HD2 LYS A 96 -8.378 8.642 -9.432 1.00 62.14 H new ATOM 0 HD3 LYS A 96 -9.575 9.726 -8.749 1.00 62.14 H new ATOM 0 HE2 LYS A 96 -8.614 9.738 -11.648 1.00 54.04 H new ATOM 0 HE3 LYS A 96 -10.144 9.096 -11.083 1.00 54.04 H new ATOM 0 HZ1 LYS A 96 -10.578 11.235 -11.912 1.00 72.33 H new ATOM 0 HZ2 LYS A 96 -10.624 11.398 -10.223 1.00 72.33 H new ATOM 0 HZ3 LYS A 96 -9.264 11.929 -11.091 1.00 72.33 H new ATOM 1660 N ILE A 97 -4.895 10.260 -5.660 1.00 73.42 N ATOM 1661 CA ILE A 97 -4.478 9.910 -4.292 1.00 72.34 C ATOM 1662 C ILE A 97 -3.187 10.667 -3.909 1.00 3.33 C ATOM 1663 O ILE A 97 -2.952 11.010 -2.740 1.00 21.30 O ATOM 1664 CB ILE A 97 -4.262 8.360 -4.197 1.00 3.34 C ATOM 1665 CG1 ILE A 97 -5.540 7.605 -4.707 1.00 73.14 C ATOM 1666 CG2 ILE A 97 -3.901 7.946 -2.752 1.00 22.03 C ATOM 1667 CD1 ILE A 97 -5.365 6.111 -4.900 1.00 44.34 C ATOM 0 H ILE A 97 -4.662 9.542 -6.346 1.00 73.42 H new ATOM 0 HA ILE A 97 -5.258 10.205 -3.590 1.00 72.34 H new ATOM 0 HB ILE A 97 -3.425 8.081 -4.837 1.00 3.34 H new ATOM 0 HG12 ILE A 97 -6.350 7.772 -3.997 1.00 73.14 H new ATOM 0 HG13 ILE A 97 -5.850 8.045 -5.655 1.00 73.14 H new ATOM 0 HG21 ILE A 97 -3.755 6.867 -2.708 1.00 22.03 H new ATOM 0 HG22 ILE A 97 -2.983 8.449 -2.448 1.00 22.03 H new ATOM 0 HG23 ILE A 97 -4.710 8.230 -2.079 1.00 22.03 H new ATOM 0 HD11 ILE A 97 -6.301 5.678 -5.254 1.00 44.34 H new ATOM 0 HD12 ILE A 97 -4.580 5.928 -5.634 1.00 44.34 H new ATOM 0 HD13 ILE A 97 -5.088 5.652 -3.951 1.00 44.34 H new ATOM 1679 N GLU A 98 -2.380 10.952 -4.932 1.00 70.54 N ATOM 1680 CA GLU A 98 -1.123 11.691 -4.800 1.00 43.15 C ATOM 1681 C GLU A 98 -1.420 13.185 -4.556 1.00 23.52 C ATOM 1682 O GLU A 98 -0.685 13.858 -3.831 1.00 20.35 O ATOM 1683 CB GLU A 98 -0.276 11.467 -6.073 1.00 63.42 C ATOM 1684 CG GLU A 98 1.109 12.139 -6.075 1.00 41.42 C ATOM 1685 CD GLU A 98 1.915 11.843 -7.347 1.00 31.43 C ATOM 1686 OE1 GLU A 98 1.346 11.937 -8.464 1.00 20.44 O ATOM 1687 OE2 GLU A 98 3.118 11.533 -7.248 1.00 52.32 O ATOM 0 H GLU A 98 -2.584 10.671 -5.891 1.00 70.54 H new ATOM 0 HA GLU A 98 -0.553 11.330 -3.944 1.00 43.15 H new ATOM 0 HB2 GLU A 98 -0.140 10.395 -6.214 1.00 63.42 H new ATOM 0 HB3 GLU A 98 -0.839 11.833 -6.932 1.00 63.42 H new ATOM 0 HG2 GLU A 98 0.984 13.217 -5.973 1.00 41.42 H new ATOM 0 HG3 GLU A 98 1.673 11.800 -5.206 1.00 41.42 H new ATOM 1694 N SER A 99 -2.553 13.672 -5.116 1.00 53.14 N ATOM 1695 CA SER A 99 -3.026 15.057 -4.909 1.00 11.02 C ATOM 1696 C SER A 99 -3.617 15.225 -3.494 1.00 42.12 C ATOM 1697 O SER A 99 -3.746 16.348 -3.006 1.00 60.23 O ATOM 1698 CB SER A 99 -4.075 15.434 -5.985 1.00 25.21 C ATOM 1699 OG SER A 99 -4.513 16.775 -5.858 1.00 72.34 O ATOM 0 H SER A 99 -3.160 13.118 -5.720 1.00 53.14 H new ATOM 0 HA SER A 99 -2.174 15.730 -5.004 1.00 11.02 H new ATOM 0 HB2 SER A 99 -3.646 15.286 -6.976 1.00 25.21 H new ATOM 0 HB3 SER A 99 -4.932 14.765 -5.905 1.00 25.21 H new ATOM 0 HG SER A 99 -5.172 16.971 -6.556 1.00 72.34 H new ATOM 1705 N GLN A 100 -3.980 14.094 -2.842 1.00 64.32 N ATOM 1706 CA GLN A 100 -4.458 14.092 -1.441 1.00 41.50 C ATOM 1707 C GLN A 100 -3.277 14.299 -0.470 1.00 21.12 C ATOM 1708 O GLN A 100 -3.479 14.723 0.665 1.00 14.45 O ATOM 1709 CB GLN A 100 -5.202 12.764 -1.095 1.00 50.22 C ATOM 1710 CG GLN A 100 -6.339 12.381 -2.063 1.00 54.33 C ATOM 1711 CD GLN A 100 -7.440 13.443 -2.214 1.00 44.05 C ATOM 1712 OE1 GLN A 100 -7.767 14.177 -1.280 1.00 3.34 O ATOM 1713 NE2 GLN A 100 -8.007 13.547 -3.404 1.00 65.12 N ATOM 0 H GLN A 100 -3.950 13.168 -3.268 1.00 64.32 H new ATOM 0 HA GLN A 100 -5.163 14.916 -1.331 1.00 41.50 H new ATOM 0 HB2 GLN A 100 -4.474 11.953 -1.074 1.00 50.22 H new ATOM 0 HB3 GLN A 100 -5.614 12.848 -0.090 1.00 50.22 H new ATOM 0 HG2 GLN A 100 -5.910 12.180 -3.045 1.00 54.33 H new ATOM 0 HG3 GLN A 100 -6.794 11.452 -1.718 1.00 54.33 H new ATOM 0 HE21 GLN A 100 -7.719 12.928 -4.162 1.00 65.12 H new ATOM 0 HE22 GLN A 100 -8.732 14.246 -3.564 1.00 65.12 H new ATOM 1722 N GLY A 101 -2.047 13.988 -0.933 1.00 24.43 N ATOM 1723 CA GLY A 101 -0.824 14.161 -0.138 1.00 71.35 C ATOM 1724 C GLY A 101 -0.255 12.837 0.360 1.00 43.52 C ATOM 1725 O GLY A 101 0.063 12.692 1.547 1.00 40.02 O ATOM 0 H GLY A 101 -1.880 13.611 -1.866 1.00 24.43 H new ATOM 0 HA2 GLY A 101 -0.073 14.671 -0.741 1.00 71.35 H new ATOM 0 HA3 GLY A 101 -1.038 14.804 0.716 1.00 71.35 H new ATOM 1729 N TYR A 102 -0.156 11.862 -0.562 1.00 63.01 N ATOM 1730 CA TYR A 102 0.492 10.551 -0.320 1.00 41.22 C ATOM 1731 C TYR A 102 1.552 10.322 -1.402 1.00 4.32 C ATOM 1732 O TYR A 102 1.305 10.637 -2.575 1.00 64.34 O ATOM 1733 CB TYR A 102 -0.549 9.394 -0.360 1.00 20.21 C ATOM 1734 CG TYR A 102 -1.674 9.513 0.683 1.00 72.40 C ATOM 1735 CD1 TYR A 102 -1.406 9.376 2.048 1.00 2.31 C ATOM 1736 CD2 TYR A 102 -3.001 9.744 0.305 1.00 73.43 C ATOM 1737 CE1 TYR A 102 -2.412 9.483 2.991 1.00 20.12 C ATOM 1738 CE2 TYR A 102 -4.009 9.852 1.247 1.00 35.42 C ATOM 1739 CZ TYR A 102 -3.710 9.713 2.585 1.00 10.22 C ATOM 1740 OH TYR A 102 -4.710 9.823 3.527 1.00 24.00 O ATOM 0 H TYR A 102 -0.526 11.959 -1.507 1.00 63.01 H new ATOM 0 HA TYR A 102 0.949 10.560 0.669 1.00 41.22 H new ATOM 0 HB2 TYR A 102 -0.995 9.357 -1.354 1.00 20.21 H new ATOM 0 HB3 TYR A 102 -0.029 8.448 -0.209 1.00 20.21 H new ATOM 0 HD1 TYR A 102 -0.394 9.183 2.372 1.00 2.31 H new ATOM 0 HD2 TYR A 102 -3.244 9.840 -0.743 1.00 73.43 H new ATOM 0 HE1 TYR A 102 -2.182 9.387 4.042 1.00 20.12 H new ATOM 0 HE2 TYR A 102 -5.025 10.044 0.935 1.00 35.42 H new ATOM 0 HH TYR A 102 -5.391 9.138 3.362 1.00 24.00 H new ATOM 1750 N GLU A 103 2.730 9.796 -1.012 1.00 40.44 N ATOM 1751 CA GLU A 103 3.782 9.437 -1.970 1.00 22.42 C ATOM 1752 C GLU A 103 3.376 8.143 -2.680 1.00 35.21 C ATOM 1753 O GLU A 103 3.577 7.038 -2.158 1.00 11.10 O ATOM 1754 CB GLU A 103 5.179 9.291 -1.296 1.00 1.32 C ATOM 1755 CG GLU A 103 5.722 10.584 -0.627 1.00 31.41 C ATOM 1756 CD GLU A 103 5.314 10.758 0.849 1.00 73.20 C ATOM 1757 OE1 GLU A 103 4.151 11.134 1.133 1.00 51.13 O ATOM 1758 OE2 GLU A 103 6.165 10.540 1.736 1.00 14.23 O ATOM 0 H GLU A 103 2.972 9.612 -0.038 1.00 40.44 H new ATOM 0 HA GLU A 103 3.881 10.246 -2.694 1.00 22.42 H new ATOM 0 HB2 GLU A 103 5.122 8.506 -0.542 1.00 1.32 H new ATOM 0 HB3 GLU A 103 5.896 8.960 -2.047 1.00 1.32 H new ATOM 0 HG2 GLU A 103 6.810 10.583 -0.693 1.00 31.41 H new ATOM 0 HG3 GLU A 103 5.370 11.447 -1.193 1.00 31.41 H new ATOM 1765 N VAL A 104 2.738 8.310 -3.844 1.00 43.23 N ATOM 1766 CA VAL A 104 2.227 7.207 -4.648 1.00 74.42 C ATOM 1767 C VAL A 104 3.171 6.968 -5.829 1.00 65.25 C ATOM 1768 O VAL A 104 3.374 7.861 -6.661 1.00 13.23 O ATOM 1769 CB VAL A 104 0.774 7.489 -5.183 1.00 24.10 C ATOM 1770 CG1 VAL A 104 0.196 6.233 -5.872 1.00 73.31 C ATOM 1771 CG2 VAL A 104 -0.166 7.993 -4.062 1.00 74.21 C ATOM 0 H VAL A 104 2.563 9.227 -4.254 1.00 43.23 H new ATOM 0 HA VAL A 104 2.177 6.322 -4.013 1.00 74.42 H new ATOM 0 HB VAL A 104 0.844 8.286 -5.923 1.00 24.10 H new ATOM 0 HG11 VAL A 104 -0.809 6.447 -6.235 1.00 73.31 H new ATOM 0 HG12 VAL A 104 0.833 5.953 -6.711 1.00 73.31 H new ATOM 0 HG13 VAL A 104 0.156 5.412 -5.157 1.00 73.31 H new ATOM 0 HG21 VAL A 104 -1.158 8.175 -4.474 1.00 74.21 H new ATOM 0 HG22 VAL A 104 -0.232 7.240 -3.277 1.00 74.21 H new ATOM 0 HG23 VAL A 104 0.229 8.919 -3.645 1.00 74.21 H new ATOM 1781 N ARG A 105 3.768 5.777 -5.876 1.00 11.31 N ATOM 1782 CA ARG A 105 4.605 5.331 -6.995 1.00 64.25 C ATOM 1783 C ARG A 105 3.877 4.224 -7.758 1.00 23.13 C ATOM 1784 O ARG A 105 3.117 3.450 -7.164 1.00 61.21 O ATOM 1785 CB ARG A 105 5.973 4.810 -6.486 1.00 64.30 C ATOM 1786 CG ARG A 105 6.936 5.892 -5.948 1.00 31.12 C ATOM 1787 CD ARG A 105 7.301 6.956 -7.007 1.00 22.15 C ATOM 1788 NE ARG A 105 8.560 7.645 -6.676 1.00 23.01 N ATOM 1789 CZ ARG A 105 9.772 7.307 -7.156 1.00 53.55 C ATOM 1790 NH1 ARG A 105 9.909 6.290 -8.006 1.00 42.32 N ATOM 1791 NH2 ARG A 105 10.840 7.985 -6.774 1.00 40.20 N ATOM 0 H ARG A 105 3.684 5.085 -5.131 1.00 11.31 H new ATOM 0 HA ARG A 105 4.789 6.177 -7.658 1.00 64.25 H new ATOM 0 HB2 ARG A 105 5.794 4.082 -5.695 1.00 64.30 H new ATOM 0 HB3 ARG A 105 6.467 4.281 -7.301 1.00 64.30 H new ATOM 0 HG2 ARG A 105 6.478 6.384 -5.090 1.00 31.12 H new ATOM 0 HG3 ARG A 105 7.848 5.414 -5.592 1.00 31.12 H new ATOM 0 HD2 ARG A 105 7.392 6.481 -7.984 1.00 22.15 H new ATOM 0 HD3 ARG A 105 6.495 7.686 -7.082 1.00 22.15 H new ATOM 0 HE ARG A 105 8.510 8.437 -6.035 1.00 23.01 H new ATOM 0 HH11 ARG A 105 9.090 5.758 -8.300 1.00 42.32 H new ATOM 0 HH12 ARG A 105 10.833 6.044 -8.362 1.00 42.32 H new ATOM 0 HH21 ARG A 105 10.744 8.760 -6.118 1.00 40.20 H new ATOM 0 HH22 ARG A 105 11.760 7.733 -7.135 1.00 40.20 H new ATOM 1805 N LYS A 106 4.100 4.174 -9.075 1.00 72.33 N ATOM 1806 CA LYS A 106 3.615 3.075 -9.926 1.00 24.11 C ATOM 1807 C LYS A 106 4.741 2.066 -10.162 1.00 23.24 C ATOM 1808 O LYS A 106 5.928 2.379 -9.966 1.00 11.22 O ATOM 1809 CB LYS A 106 3.115 3.603 -11.291 1.00 43.44 C ATOM 1810 CG LYS A 106 2.055 4.715 -11.220 1.00 20.33 C ATOM 1811 CD LYS A 106 1.473 5.118 -12.602 1.00 74.23 C ATOM 1812 CE LYS A 106 2.488 5.692 -13.607 1.00 51.34 C ATOM 1813 NZ LYS A 106 3.467 4.690 -14.109 1.00 40.00 N ATOM 0 H LYS A 106 4.620 4.890 -9.583 1.00 72.33 H new ATOM 0 HA LYS A 106 2.783 2.594 -9.412 1.00 24.11 H new ATOM 0 HB2 LYS A 106 3.971 3.976 -11.853 1.00 43.44 H new ATOM 0 HB3 LYS A 106 2.703 2.767 -11.856 1.00 43.44 H new ATOM 0 HG2 LYS A 106 1.240 4.386 -10.575 1.00 20.33 H new ATOM 0 HG3 LYS A 106 2.496 5.595 -10.752 1.00 20.33 H new ATOM 0 HD2 LYS A 106 1.002 4.242 -13.048 1.00 74.23 H new ATOM 0 HD3 LYS A 106 0.687 5.856 -12.444 1.00 74.23 H new ATOM 0 HE2 LYS A 106 1.948 6.114 -14.454 1.00 51.34 H new ATOM 0 HE3 LYS A 106 3.030 6.511 -13.134 1.00 51.34 H new ATOM 0 HZ1 LYS A 106 3.604 4.821 -15.132 1.00 40.00 H new ATOM 0 HZ2 LYS A 106 4.376 4.817 -13.619 1.00 40.00 H new ATOM 0 HZ3 LYS A 106 3.107 3.731 -13.928 1.00 40.00 H new ATOM 1827 N VAL A 107 4.342 0.865 -10.586 1.00 52.25 N ATOM 1828 CA VAL A 107 5.257 -0.172 -11.062 1.00 24.25 C ATOM 1829 C VAL A 107 4.460 -1.206 -11.880 1.00 61.42 C ATOM 1830 O VAL A 107 3.241 -1.331 -11.721 1.00 12.30 O ATOM 1831 CB VAL A 107 6.047 -0.857 -9.880 1.00 11.31 C ATOM 1832 CG1 VAL A 107 5.113 -1.588 -8.890 1.00 32.00 C ATOM 1833 CG2 VAL A 107 7.153 -1.791 -10.413 1.00 21.13 C ATOM 0 H VAL A 107 3.362 0.583 -10.608 1.00 52.25 H new ATOM 0 HA VAL A 107 6.010 0.292 -11.699 1.00 24.25 H new ATOM 0 HB VAL A 107 6.529 -0.057 -9.317 1.00 11.31 H new ATOM 0 HG11 VAL A 107 5.707 -2.042 -8.097 1.00 32.00 H new ATOM 0 HG12 VAL A 107 4.413 -0.874 -8.456 1.00 32.00 H new ATOM 0 HG13 VAL A 107 4.559 -2.365 -9.418 1.00 32.00 H new ATOM 0 HG21 VAL A 107 7.679 -2.248 -9.575 1.00 21.13 H new ATOM 0 HG22 VAL A 107 6.705 -2.571 -11.029 1.00 21.13 H new ATOM 0 HG23 VAL A 107 7.858 -1.215 -11.013 1.00 21.13 H new ATOM 1843 N THR A 108 5.144 -1.888 -12.799 1.00 61.04 N ATOM 1844 CA THR A 108 4.587 -2.999 -13.586 1.00 25.35 C ATOM 1845 C THR A 108 5.519 -4.229 -13.509 1.00 12.04 C ATOM 1846 O THR A 108 5.063 -5.361 -13.660 1.00 62.12 O ATOM 1847 CB THR A 108 4.381 -2.574 -15.081 1.00 52.43 C ATOM 1848 OG1 THR A 108 5.612 -2.057 -15.620 1.00 74.10 O ATOM 1849 CG2 THR A 108 3.271 -1.505 -15.243 1.00 31.11 C ATOM 0 H THR A 108 6.118 -1.684 -13.025 1.00 61.04 H new ATOM 0 HA THR A 108 3.616 -3.262 -13.165 1.00 25.35 H new ATOM 0 HB THR A 108 4.071 -3.466 -15.625 1.00 52.43 H new ATOM 0 HG1 THR A 108 6.316 -2.734 -15.535 1.00 74.10 H new ATOM 0 HG21 THR A 108 3.168 -1.245 -16.296 1.00 31.11 H new ATOM 0 HG22 THR A 108 2.326 -1.903 -14.873 1.00 31.11 H new ATOM 0 HG23 THR A 108 3.538 -0.615 -14.674 1.00 31.11 H new ATOM 1857 N ASP A 109 6.822 -3.988 -13.252 1.00 41.11 N ATOM 1858 CA ASP A 109 7.869 -5.034 -13.245 1.00 10.14 C ATOM 1859 C ASP A 109 8.075 -5.623 -11.834 1.00 51.31 C ATOM 1860 O ASP A 109 7.913 -4.920 -10.829 1.00 11.42 O ATOM 1861 CB ASP A 109 9.197 -4.445 -13.794 1.00 53.31 C ATOM 1862 CG ASP A 109 9.097 -4.042 -15.281 1.00 71.54 C ATOM 1863 OD1 ASP A 109 8.470 -3.008 -15.587 1.00 1.34 O ATOM 1864 OD2 ASP A 109 9.625 -4.766 -16.153 1.00 2.30 O ATOM 0 H ASP A 109 7.180 -3.056 -13.042 1.00 41.11 H new ATOM 0 HA ASP A 109 7.543 -5.850 -13.890 1.00 10.14 H new ATOM 0 HB2 ASP A 109 9.475 -3.573 -13.203 1.00 53.31 H new ATOM 0 HB3 ASP A 109 9.993 -5.179 -13.673 1.00 53.31 H new ATOM 1869 N ASP A 110 8.467 -6.918 -11.790 1.00 43.32 N ATOM 1870 CA ASP A 110 8.598 -7.712 -10.542 1.00 74.51 C ATOM 1871 C ASP A 110 9.686 -7.169 -9.608 1.00 43.13 C ATOM 1872 O ASP A 110 9.405 -6.811 -8.455 1.00 3.12 O ATOM 1873 CB ASP A 110 8.900 -9.202 -10.872 1.00 23.12 C ATOM 1874 CG ASP A 110 7.725 -9.912 -11.554 1.00 45.04 C ATOM 1875 OD1 ASP A 110 7.606 -9.854 -12.795 1.00 61.12 O ATOM 1876 OD2 ASP A 110 6.901 -10.516 -10.851 1.00 60.24 O ATOM 0 H ASP A 110 8.704 -7.448 -12.628 1.00 43.32 H new ATOM 0 HA ASP A 110 7.643 -7.631 -10.023 1.00 74.51 H new ATOM 0 HB2 ASP A 110 9.775 -9.255 -11.519 1.00 23.12 H new ATOM 0 HB3 ASP A 110 9.152 -9.729 -9.952 1.00 23.12 H new ATOM 1881 N GLU A 111 10.925 -7.096 -10.124 1.00 52.40 N ATOM 1882 CA GLU A 111 12.095 -6.714 -9.320 1.00 74.41 C ATOM 1883 C GLU A 111 11.986 -5.246 -8.889 1.00 4.14 C ATOM 1884 O GLU A 111 12.341 -4.906 -7.760 1.00 71.31 O ATOM 1885 CB GLU A 111 13.424 -6.947 -10.086 1.00 4.10 C ATOM 1886 CG GLU A 111 13.660 -8.397 -10.543 1.00 11.33 C ATOM 1887 CD GLU A 111 15.067 -8.620 -11.124 1.00 54.41 C ATOM 1888 OE1 GLU A 111 15.997 -8.934 -10.351 1.00 65.10 O ATOM 1889 OE2 GLU A 111 15.258 -8.449 -12.343 1.00 1.52 O ATOM 0 H GLU A 111 11.141 -7.298 -11.100 1.00 52.40 H new ATOM 0 HA GLU A 111 12.107 -7.351 -8.436 1.00 74.41 H new ATOM 0 HB2 GLU A 111 13.441 -6.298 -10.961 1.00 4.10 H new ATOM 0 HB3 GLU A 111 14.253 -6.643 -9.447 1.00 4.10 H new ATOM 0 HG2 GLU A 111 13.511 -9.068 -9.697 1.00 11.33 H new ATOM 0 HG3 GLU A 111 12.916 -8.661 -11.294 1.00 11.33 H new ATOM 1896 N GLU A 112 11.466 -4.394 -9.800 1.00 32.44 N ATOM 1897 CA GLU A 112 11.279 -2.962 -9.543 1.00 30.15 C ATOM 1898 C GLU A 112 10.247 -2.727 -8.427 1.00 3.30 C ATOM 1899 O GLU A 112 10.414 -1.808 -7.630 1.00 4.33 O ATOM 1900 CB GLU A 112 10.866 -2.209 -10.832 1.00 70.43 C ATOM 1901 CG GLU A 112 10.812 -0.674 -10.652 1.00 54.35 C ATOM 1902 CD GLU A 112 10.366 0.086 -11.907 1.00 25.13 C ATOM 1903 OE1 GLU A 112 11.109 0.084 -12.908 1.00 25.14 O ATOM 1904 OE2 GLU A 112 9.287 0.717 -11.890 1.00 13.51 O ATOM 0 H GLU A 112 11.167 -4.686 -10.730 1.00 32.44 H new ATOM 0 HA GLU A 112 12.237 -2.563 -9.210 1.00 30.15 H new ATOM 0 HB2 GLU A 112 11.571 -2.450 -11.627 1.00 70.43 H new ATOM 0 HB3 GLU A 112 9.888 -2.565 -11.155 1.00 70.43 H new ATOM 0 HG2 GLU A 112 10.130 -0.438 -9.835 1.00 54.35 H new ATOM 0 HG3 GLU A 112 11.799 -0.318 -10.356 1.00 54.35 H new ATOM 1911 N ALA A 113 9.194 -3.574 -8.374 1.00 0.32 N ATOM 1912 CA ALA A 113 8.181 -3.515 -7.299 1.00 33.42 C ATOM 1913 C ALA A 113 8.845 -3.671 -5.926 1.00 11.15 C ATOM 1914 O ALA A 113 8.635 -2.849 -5.036 1.00 64.34 O ATOM 1915 CB ALA A 113 7.099 -4.581 -7.508 1.00 72.44 C ATOM 0 H ALA A 113 9.025 -4.306 -9.064 1.00 0.32 H new ATOM 0 HA ALA A 113 7.699 -2.538 -7.336 1.00 33.42 H new ATOM 0 HB1 ALA A 113 6.365 -4.517 -6.704 1.00 72.44 H new ATOM 0 HB2 ALA A 113 6.604 -4.415 -8.465 1.00 72.44 H new ATOM 0 HB3 ALA A 113 7.557 -5.570 -7.504 1.00 72.44 H new ATOM 1921 N LEU A 114 9.721 -4.692 -5.819 1.00 71.20 N ATOM 1922 CA LEU A 114 10.476 -4.992 -4.585 1.00 34.44 C ATOM 1923 C LEU A 114 11.455 -3.843 -4.239 1.00 73.15 C ATOM 1924 O LEU A 114 11.662 -3.532 -3.061 1.00 42.24 O ATOM 1925 CB LEU A 114 11.254 -6.328 -4.741 1.00 52.10 C ATOM 1926 CG LEU A 114 10.426 -7.558 -5.242 1.00 14.02 C ATOM 1927 CD1 LEU A 114 11.329 -8.790 -5.440 1.00 42.50 C ATOM 1928 CD2 LEU A 114 9.248 -7.881 -4.297 1.00 65.41 C ATOM 0 H LEU A 114 9.925 -5.332 -6.587 1.00 71.20 H new ATOM 0 HA LEU A 114 9.762 -5.090 -3.767 1.00 34.44 H new ATOM 0 HB2 LEU A 114 12.078 -6.165 -5.435 1.00 52.10 H new ATOM 0 HB3 LEU A 114 11.695 -6.582 -3.777 1.00 52.10 H new ATOM 0 HG LEU A 114 10.002 -7.289 -6.209 1.00 14.02 H new ATOM 0 HD11 LEU A 114 10.728 -9.630 -5.788 1.00 42.50 H new ATOM 0 HD12 LEU A 114 12.098 -8.563 -6.179 1.00 42.50 H new ATOM 0 HD13 LEU A 114 11.802 -9.051 -4.493 1.00 42.50 H new ATOM 0 HD21 LEU A 114 8.699 -8.741 -4.681 1.00 65.41 H new ATOM 0 HD22 LEU A 114 9.631 -8.110 -3.303 1.00 65.41 H new ATOM 0 HD23 LEU A 114 8.581 -7.021 -4.240 1.00 65.41 H new ATOM 1940 N LYS A 115 12.029 -3.212 -5.292 1.00 64.32 N ATOM 1941 CA LYS A 115 12.958 -2.068 -5.158 1.00 44.20 C ATOM 1942 C LYS A 115 12.254 -0.862 -4.517 1.00 11.50 C ATOM 1943 O LYS A 115 12.776 -0.271 -3.569 1.00 23.05 O ATOM 1944 CB LYS A 115 13.547 -1.654 -6.542 1.00 12.21 C ATOM 1945 CG LYS A 115 14.514 -2.680 -7.176 1.00 35.21 C ATOM 1946 CD LYS A 115 15.067 -2.206 -8.541 1.00 33.00 C ATOM 1947 CE LYS A 115 16.149 -3.143 -9.111 1.00 42.30 C ATOM 1948 NZ LYS A 115 15.622 -4.496 -9.432 1.00 13.42 N ATOM 0 H LYS A 115 11.859 -3.484 -6.260 1.00 64.32 H new ATOM 0 HA LYS A 115 13.775 -2.388 -4.511 1.00 44.20 H new ATOM 0 HB2 LYS A 115 12.722 -1.480 -7.233 1.00 12.21 H new ATOM 0 HB3 LYS A 115 14.072 -0.706 -6.427 1.00 12.21 H new ATOM 0 HG2 LYS A 115 15.345 -2.861 -6.494 1.00 35.21 H new ATOM 0 HG3 LYS A 115 13.996 -3.630 -7.307 1.00 35.21 H new ATOM 0 HD2 LYS A 115 14.246 -2.133 -9.254 1.00 33.00 H new ATOM 0 HD3 LYS A 115 15.483 -1.205 -8.430 1.00 33.00 H new ATOM 0 HE2 LYS A 115 16.571 -2.698 -10.012 1.00 42.30 H new ATOM 0 HE3 LYS A 115 16.961 -3.235 -8.390 1.00 42.30 H new ATOM 0 HZ1 LYS A 115 16.389 -5.086 -9.812 1.00 13.42 H new ATOM 0 HZ2 LYS A 115 15.243 -4.935 -8.569 1.00 13.42 H new ATOM 0 HZ3 LYS A 115 14.865 -4.415 -10.140 1.00 13.42 H new ATOM 1962 N ILE A 116 11.054 -0.528 -5.033 1.00 63.21 N ATOM 1963 CA ILE A 116 10.280 0.644 -4.582 1.00 42.34 C ATOM 1964 C ILE A 116 9.679 0.399 -3.180 1.00 72.02 C ATOM 1965 O ILE A 116 9.487 1.348 -2.416 1.00 50.45 O ATOM 1966 CB ILE A 116 9.158 1.038 -5.622 1.00 73.10 C ATOM 1967 CG1 ILE A 116 9.768 1.289 -7.042 1.00 74.02 C ATOM 1968 CG2 ILE A 116 8.357 2.279 -5.157 1.00 32.22 C ATOM 1969 CD1 ILE A 116 10.801 2.412 -7.124 1.00 70.12 C ATOM 0 H ILE A 116 10.596 -1.062 -5.772 1.00 63.21 H new ATOM 0 HA ILE A 116 10.968 1.487 -4.514 1.00 42.34 H new ATOM 0 HB ILE A 116 8.469 0.196 -5.683 1.00 73.10 H new ATOM 0 HG12 ILE A 116 10.233 0.365 -7.387 1.00 74.02 H new ATOM 0 HG13 ILE A 116 8.956 1.515 -7.733 1.00 74.02 H new ATOM 0 HG21 ILE A 116 7.595 2.519 -5.898 1.00 32.22 H new ATOM 0 HG22 ILE A 116 7.879 2.066 -4.201 1.00 32.22 H new ATOM 0 HG23 ILE A 116 9.033 3.127 -5.044 1.00 32.22 H new ATOM 0 HD11 ILE A 116 11.160 2.502 -8.149 1.00 70.12 H new ATOM 0 HD12 ILE A 116 10.342 3.352 -6.816 1.00 70.12 H new ATOM 0 HD13 ILE A 116 11.639 2.184 -6.465 1.00 70.12 H new ATOM 1981 N VAL A 117 9.409 -0.884 -2.845 1.00 34.43 N ATOM 1982 CA VAL A 117 9.020 -1.282 -1.474 1.00 54.54 C ATOM 1983 C VAL A 117 10.165 -0.960 -0.499 1.00 50.11 C ATOM 1984 O VAL A 117 9.934 -0.368 0.552 1.00 14.22 O ATOM 1985 CB VAL A 117 8.650 -2.816 -1.381 1.00 61.05 C ATOM 1986 CG1 VAL A 117 8.460 -3.288 0.081 1.00 1.13 C ATOM 1987 CG2 VAL A 117 7.386 -3.127 -2.199 1.00 52.32 C ATOM 0 H VAL A 117 9.454 -1.660 -3.506 1.00 34.43 H new ATOM 0 HA VAL A 117 8.129 -0.715 -1.205 1.00 54.54 H new ATOM 0 HB VAL A 117 9.493 -3.365 -1.800 1.00 61.05 H new ATOM 0 HG11 VAL A 117 8.207 -4.348 0.091 1.00 1.13 H new ATOM 0 HG12 VAL A 117 9.384 -3.130 0.637 1.00 1.13 H new ATOM 0 HG13 VAL A 117 7.655 -2.719 0.545 1.00 1.13 H new ATOM 0 HG21 VAL A 117 7.153 -4.189 -2.119 1.00 52.32 H new ATOM 0 HG22 VAL A 117 6.551 -2.542 -1.815 1.00 52.32 H new ATOM 0 HG23 VAL A 117 7.557 -2.871 -3.245 1.00 52.32 H new ATOM 1997 N ARG A 118 11.405 -1.325 -0.892 1.00 21.25 N ATOM 1998 CA ARG A 118 12.611 -1.077 -0.078 1.00 54.20 C ATOM 1999 C ARG A 118 12.925 0.424 0.009 1.00 63.30 C ATOM 2000 O ARG A 118 13.455 0.878 1.024 1.00 10.34 O ATOM 2001 CB ARG A 118 13.828 -1.869 -0.621 1.00 55.12 C ATOM 2002 CG ARG A 118 13.674 -3.405 -0.520 1.00 30.14 C ATOM 2003 CD ARG A 118 14.936 -4.163 -0.962 1.00 50.14 C ATOM 2004 NE ARG A 118 15.327 -3.859 -2.354 1.00 22.14 N ATOM 2005 CZ ARG A 118 15.238 -4.701 -3.392 1.00 41.22 C ATOM 2006 NH1 ARG A 118 14.752 -5.925 -3.238 1.00 42.34 N ATOM 2007 NH2 ARG A 118 15.664 -4.314 -4.582 1.00 33.51 N ATOM 0 H ARG A 118 11.595 -1.796 -1.776 1.00 21.25 H new ATOM 0 HA ARG A 118 12.405 -1.433 0.931 1.00 54.20 H new ATOM 0 HB2 ARG A 118 13.989 -1.598 -1.664 1.00 55.12 H new ATOM 0 HB3 ARG A 118 14.720 -1.567 -0.072 1.00 55.12 H new ATOM 0 HG2 ARG A 118 13.436 -3.674 0.509 1.00 30.14 H new ATOM 0 HG3 ARG A 118 12.832 -3.722 -1.135 1.00 30.14 H new ATOM 0 HD2 ARG A 118 15.759 -3.909 -0.294 1.00 50.14 H new ATOM 0 HD3 ARG A 118 14.764 -5.235 -0.863 1.00 50.14 H new ATOM 0 HE ARG A 118 15.697 -2.927 -2.541 1.00 22.14 H new ATOM 0 HH11 ARG A 118 14.439 -6.238 -2.319 1.00 42.34 H new ATOM 0 HH12 ARG A 118 14.691 -6.554 -4.039 1.00 42.34 H new ATOM 0 HH21 ARG A 118 16.057 -3.381 -4.704 1.00 33.51 H new ATOM 0 HH22 ARG A 118 15.600 -4.949 -5.378 1.00 33.51 H new ATOM 2021 N GLU A 119 12.571 1.184 -1.052 1.00 24.24 N ATOM 2022 CA GLU A 119 12.675 2.653 -1.051 1.00 40.25 C ATOM 2023 C GLU A 119 11.700 3.250 -0.021 1.00 64.10 C ATOM 2024 O GLU A 119 12.083 4.104 0.759 1.00 11.14 O ATOM 2025 CB GLU A 119 12.390 3.242 -2.461 1.00 63.00 C ATOM 2026 CG GLU A 119 13.484 2.974 -3.514 1.00 24.54 C ATOM 2027 CD GLU A 119 14.833 3.639 -3.173 1.00 12.41 C ATOM 2028 OE1 GLU A 119 14.917 4.885 -3.229 1.00 25.34 O ATOM 2029 OE2 GLU A 119 15.808 2.931 -2.839 1.00 4.11 O ATOM 0 H GLU A 119 12.209 0.797 -1.923 1.00 24.24 H new ATOM 0 HA GLU A 119 13.696 2.918 -0.777 1.00 40.25 H new ATOM 0 HB2 GLU A 119 11.448 2.832 -2.826 1.00 63.00 H new ATOM 0 HB3 GLU A 119 12.254 4.319 -2.367 1.00 63.00 H new ATOM 0 HG2 GLU A 119 13.631 1.898 -3.610 1.00 24.54 H new ATOM 0 HG3 GLU A 119 13.142 3.337 -4.483 1.00 24.54 H new ATOM 2036 N PHE A 120 10.444 2.766 -0.034 1.00 62.50 N ATOM 2037 CA PHE A 120 9.401 3.175 0.932 1.00 44.31 C ATOM 2038 C PHE A 120 9.773 2.811 2.384 1.00 41.20 C ATOM 2039 O PHE A 120 9.465 3.566 3.302 1.00 34.12 O ATOM 2040 CB PHE A 120 8.027 2.547 0.554 1.00 43.52 C ATOM 2041 CG PHE A 120 7.334 3.182 -0.661 1.00 60.30 C ATOM 2042 CD1 PHE A 120 7.520 4.538 -0.977 1.00 43.25 C ATOM 2043 CD2 PHE A 120 6.458 2.441 -1.455 1.00 54.13 C ATOM 2044 CE1 PHE A 120 6.865 5.115 -2.048 1.00 62.22 C ATOM 2045 CE2 PHE A 120 5.805 3.027 -2.520 1.00 72.34 C ATOM 2046 CZ PHE A 120 6.003 4.360 -2.812 1.00 42.34 C ATOM 0 H PHE A 120 10.121 2.079 -0.715 1.00 62.50 H new ATOM 0 HA PHE A 120 9.325 4.261 0.878 1.00 44.31 H new ATOM 0 HB2 PHE A 120 8.172 1.485 0.356 1.00 43.52 H new ATOM 0 HB3 PHE A 120 7.361 2.623 1.414 1.00 43.52 H new ATOM 0 HD1 PHE A 120 8.185 5.138 -0.374 1.00 43.25 H new ATOM 0 HD2 PHE A 120 6.289 1.397 -1.234 1.00 54.13 H new ATOM 0 HE1 PHE A 120 7.029 6.156 -2.286 1.00 62.22 H new ATOM 0 HE2 PHE A 120 5.135 2.438 -3.129 1.00 72.34 H new ATOM 0 HZ PHE A 120 5.481 4.813 -3.642 1.00 42.34 H new ATOM 2056 N MET A 121 10.416 1.644 2.568 1.00 4.34 N ATOM 2057 CA MET A 121 10.907 1.189 3.888 1.00 45.41 C ATOM 2058 C MET A 121 12.151 1.983 4.333 1.00 15.32 C ATOM 2059 O MET A 121 12.409 2.102 5.529 1.00 13.34 O ATOM 2060 CB MET A 121 11.205 -0.339 3.871 1.00 24.13 C ATOM 2061 CG MET A 121 9.967 -1.222 3.637 1.00 54.54 C ATOM 2062 SD MET A 121 10.295 -2.977 3.900 1.00 23.35 S ATOM 2063 CE MET A 121 11.458 -3.368 2.592 1.00 72.54 C ATOM 0 H MET A 121 10.611 0.989 1.811 1.00 4.34 H new ATOM 0 HA MET A 121 10.117 1.377 4.615 1.00 45.41 H new ATOM 0 HB2 MET A 121 11.937 -0.546 3.091 1.00 24.13 H new ATOM 0 HB3 MET A 121 11.663 -0.619 4.820 1.00 24.13 H new ATOM 0 HG2 MET A 121 9.168 -0.903 4.306 1.00 54.54 H new ATOM 0 HG3 MET A 121 9.608 -1.073 2.618 1.00 54.54 H new ATOM 0 HE1 MET A 121 11.489 -4.447 2.444 1.00 72.54 H new ATOM 0 HE2 MET A 121 11.143 -2.884 1.668 1.00 72.54 H new ATOM 0 HE3 MET A 121 12.450 -3.011 2.868 1.00 72.54 H new ATOM 2073 N GLN A 122 12.913 2.501 3.355 1.00 31.11 N ATOM 2074 CA GLN A 122 14.055 3.409 3.598 1.00 14.42 C ATOM 2075 C GLN A 122 13.549 4.777 4.097 1.00 75.23 C ATOM 2076 O GLN A 122 14.085 5.342 5.059 1.00 33.43 O ATOM 2077 CB GLN A 122 14.876 3.575 2.290 1.00 33.22 C ATOM 2078 CG GLN A 122 16.076 4.543 2.382 1.00 1.35 C ATOM 2079 CD GLN A 122 16.779 4.814 1.044 1.00 63.23 C ATOM 2080 OE1 GLN A 122 17.310 5.899 0.830 1.00 10.31 O ATOM 2081 NE2 GLN A 122 16.812 3.839 0.142 1.00 24.44 N ATOM 0 H GLN A 122 12.756 2.303 2.367 1.00 31.11 H new ATOM 0 HA GLN A 122 14.699 2.981 4.366 1.00 14.42 H new ATOM 0 HB2 GLN A 122 15.243 2.595 1.984 1.00 33.22 H new ATOM 0 HB3 GLN A 122 14.208 3.925 1.503 1.00 33.22 H new ATOM 0 HG2 GLN A 122 15.731 5.491 2.795 1.00 1.35 H new ATOM 0 HG3 GLN A 122 16.803 4.135 3.084 1.00 1.35 H new ATOM 0 HE21 GLN A 122 16.364 2.945 0.341 1.00 24.44 H new ATOM 0 HE22 GLN A 122 17.286 3.985 -0.750 1.00 24.44 H new ATOM 2090 N LYS A 123 12.484 5.279 3.436 1.00 31.44 N ATOM 2091 CA LYS A 123 11.856 6.574 3.762 1.00 22.45 C ATOM 2092 C LYS A 123 11.181 6.493 5.143 1.00 43.54 C ATOM 2093 O LYS A 123 11.362 7.372 5.992 1.00 23.10 O ATOM 2094 CB LYS A 123 10.808 6.956 2.682 1.00 12.41 C ATOM 2095 CG LYS A 123 11.355 7.056 1.241 1.00 44.33 C ATOM 2096 CD LYS A 123 10.238 7.293 0.191 1.00 72.21 C ATOM 2097 CE LYS A 123 10.724 7.087 -1.255 1.00 43.23 C ATOM 2098 NZ LYS A 123 11.892 7.942 -1.590 1.00 2.23 N ATOM 0 H LYS A 123 12.035 4.794 2.659 1.00 31.44 H new ATOM 0 HA LYS A 123 12.629 7.342 3.784 1.00 22.45 H new ATOM 0 HB2 LYS A 123 10.007 6.217 2.699 1.00 12.41 H new ATOM 0 HB3 LYS A 123 10.364 7.914 2.952 1.00 12.41 H new ATOM 0 HG2 LYS A 123 12.077 7.870 1.187 1.00 44.33 H new ATOM 0 HG3 LYS A 123 11.890 6.139 0.995 1.00 44.33 H new ATOM 0 HD2 LYS A 123 9.408 6.615 0.391 1.00 72.21 H new ATOM 0 HD3 LYS A 123 9.854 8.307 0.299 1.00 72.21 H new ATOM 0 HE2 LYS A 123 10.991 6.040 -1.399 1.00 43.23 H new ATOM 0 HE3 LYS A 123 9.908 7.306 -1.944 1.00 43.23 H new ATOM 0 HZ1 LYS A 123 12.128 7.829 -2.597 1.00 2.23 H new ATOM 0 HZ2 LYS A 123 11.660 8.937 -1.398 1.00 2.23 H new ATOM 0 HZ3 LYS A 123 12.707 7.659 -1.010 1.00 2.23 H new ATOM 2112 N ALA A 124 10.428 5.398 5.349 1.00 21.53 N ATOM 2113 CA ALA A 124 9.753 5.087 6.619 1.00 50.11 C ATOM 2114 C ALA A 124 10.779 4.837 7.731 1.00 63.20 C ATOM 2115 O ALA A 124 10.558 5.202 8.886 1.00 62.44 O ATOM 2116 CB ALA A 124 8.852 3.854 6.434 1.00 2.42 C ATOM 0 H ALA A 124 10.270 4.695 4.627 1.00 21.53 H new ATOM 0 HA ALA A 124 9.140 5.939 6.911 1.00 50.11 H new ATOM 0 HB1 ALA A 124 8.352 3.624 7.375 1.00 2.42 H new ATOM 0 HB2 ALA A 124 8.105 4.061 5.668 1.00 2.42 H new ATOM 0 HB3 ALA A 124 9.459 3.002 6.128 1.00 2.42 H new ATOM 2122 N GLY A 125 11.912 4.222 7.340 1.00 34.34 N ATOM 2123 CA GLY A 125 13.034 3.972 8.239 1.00 3.34 C ATOM 2124 C GLY A 125 13.759 5.245 8.651 1.00 34.53 C ATOM 2125 O GLY A 125 14.393 5.274 9.701 1.00 12.13 O ATOM 0 H GLY A 125 12.066 3.888 6.389 1.00 34.34 H new ATOM 0 HA2 GLY A 125 12.671 3.462 9.131 1.00 3.34 H new ATOM 0 HA3 GLY A 125 13.740 3.299 7.752 1.00 3.34 H new ATOM 2129 N SER A 126 13.667 6.296 7.811 1.00 4.41 N ATOM 2130 CA SER A 126 14.223 7.629 8.109 1.00 5.22 C ATOM 2131 C SER A 126 13.230 8.454 8.963 1.00 62.31 C ATOM 2132 O SER A 126 13.643 9.291 9.773 1.00 2.55 O ATOM 2133 CB SER A 126 14.566 8.360 6.787 1.00 33.42 C ATOM 2134 OG SER A 126 15.197 9.609 7.024 1.00 5.35 O ATOM 0 H SER A 126 13.203 6.242 6.904 1.00 4.41 H new ATOM 0 HA SER A 126 15.139 7.513 8.688 1.00 5.22 H new ATOM 0 HB2 SER A 126 15.220 7.731 6.183 1.00 33.42 H new ATOM 0 HB3 SER A 126 13.654 8.517 6.211 1.00 33.42 H new ATOM 0 HG SER A 126 15.400 10.041 6.168 1.00 5.35 H new ATOM 2140 N LEU A 127 11.914 8.191 8.779 1.00 61.41 N ATOM 2141 CA LEU A 127 10.830 8.836 9.562 1.00 42.24 C ATOM 2142 C LEU A 127 10.690 8.177 10.939 1.00 55.51 C ATOM 2143 O LEU A 127 10.152 8.782 11.867 1.00 22.05 O ATOM 2144 CB LEU A 127 9.477 8.749 8.813 1.00 23.41 C ATOM 2145 CG LEU A 127 9.402 9.502 7.456 1.00 34.10 C ATOM 2146 CD1 LEU A 127 8.036 9.291 6.782 1.00 3.54 C ATOM 2147 CD2 LEU A 127 9.728 11.006 7.623 1.00 15.05 C ATOM 0 H LEU A 127 11.573 7.526 8.084 1.00 61.41 H new ATOM 0 HA LEU A 127 11.097 9.885 9.690 1.00 42.24 H new ATOM 0 HB2 LEU A 127 9.249 7.698 8.636 1.00 23.41 H new ATOM 0 HB3 LEU A 127 8.697 9.139 9.466 1.00 23.41 H new ATOM 0 HG LEU A 127 10.163 9.079 6.800 1.00 34.10 H new ATOM 0 HD11 LEU A 127 8.011 9.829 5.834 1.00 3.54 H new ATOM 0 HD12 LEU A 127 7.881 8.228 6.600 1.00 3.54 H new ATOM 0 HD13 LEU A 127 7.247 9.667 7.433 1.00 3.54 H new ATOM 0 HD21 LEU A 127 9.666 11.501 6.654 1.00 15.05 H new ATOM 0 HD22 LEU A 127 9.012 11.459 8.309 1.00 15.05 H new ATOM 0 HD23 LEU A 127 10.735 11.118 8.024 1.00 15.05 H new ATOM 2159 N GLU A 128 11.201 6.940 11.044 1.00 70.10 N ATOM 2160 CA GLU A 128 11.198 6.140 12.278 1.00 41.30 C ATOM 2161 C GLU A 128 11.978 6.835 13.422 1.00 52.11 C ATOM 2162 O GLU A 128 11.728 6.540 14.590 1.00 0.32 O ATOM 2163 CB GLU A 128 11.831 4.753 11.973 1.00 33.11 C ATOM 2164 CG GLU A 128 11.908 3.768 13.164 1.00 43.22 C ATOM 2165 CD GLU A 128 10.540 3.216 13.606 1.00 24.02 C ATOM 2166 OE1 GLU A 128 9.791 3.913 14.328 1.00 42.44 O ATOM 2167 OE2 GLU A 128 10.221 2.072 13.248 1.00 43.41 O ATOM 0 H GLU A 128 11.637 6.459 10.257 1.00 70.10 H new ATOM 0 HA GLU A 128 10.167 6.026 12.613 1.00 41.30 H new ATOM 0 HB2 GLU A 128 11.259 4.282 11.174 1.00 33.11 H new ATOM 0 HB3 GLU A 128 12.840 4.912 11.592 1.00 33.11 H new ATOM 0 HG2 GLU A 128 12.555 2.934 12.892 1.00 43.22 H new ATOM 0 HG3 GLU A 128 12.376 4.272 14.010 1.00 43.22 H new ATOM 2174 N HIS A 129 12.893 7.767 13.041 1.00 71.12 N ATOM 2175 CA HIS A 129 13.877 8.413 13.935 1.00 23.30 C ATOM 2176 C HIS A 129 13.303 8.788 15.326 1.00 61.12 C ATOM 2177 O HIS A 129 12.404 9.632 15.450 1.00 2.24 O ATOM 2178 CB HIS A 129 14.506 9.662 13.238 1.00 73.24 C ATOM 2179 CG HIS A 129 13.583 10.850 13.074 1.00 62.31 C ATOM 2180 ND1 HIS A 129 13.543 11.896 13.975 1.00 64.25 N ATOM 2181 CD2 HIS A 129 12.644 11.147 12.139 1.00 3.31 C ATOM 2182 CE1 HIS A 129 12.625 12.765 13.607 1.00 41.24 C ATOM 2183 NE2 HIS A 129 12.071 12.335 12.498 1.00 22.51 N ATOM 0 H HIS A 129 12.963 8.094 12.077 1.00 71.12 H new ATOM 0 HA HIS A 129 14.654 7.672 14.124 1.00 23.30 H new ATOM 0 HB2 HIS A 129 15.377 9.977 13.813 1.00 73.24 H new ATOM 0 HB3 HIS A 129 14.865 9.364 12.253 1.00 73.24 H new ATOM 0 HD2 HIS A 129 12.396 10.554 11.271 1.00 3.31 H new ATOM 0 HE1 HIS A 129 12.371 13.676 14.129 1.00 41.24 H new ATOM 0 HE2 HIS A 129 11.330 12.812 11.985 1.00 22.51 H new ATOM 2192 N HIS A 130 13.773 8.075 16.361 1.00 4.04 N ATOM 2193 CA HIS A 130 13.519 8.443 17.768 1.00 1.32 C ATOM 2194 C HIS A 130 14.400 9.656 18.141 1.00 65.11 C ATOM 2195 O HIS A 130 14.074 10.431 19.042 1.00 53.13 O ATOM 2196 CB HIS A 130 13.749 7.231 18.714 1.00 11.34 C ATOM 2197 CG HIS A 130 15.173 6.736 18.829 1.00 10.51 C ATOM 2198 ND1 HIS A 130 15.834 6.637 20.034 1.00 71.54 N ATOM 2199 CD2 HIS A 130 16.042 6.268 17.897 1.00 34.14 C ATOM 2200 CE1 HIS A 130 17.033 6.132 19.836 1.00 54.30 C ATOM 2201 NE2 HIS A 130 17.185 5.904 18.553 1.00 1.11 N ATOM 0 H HIS A 130 14.337 7.232 16.251 1.00 4.04 H new ATOM 0 HA HIS A 130 12.474 8.729 17.889 1.00 1.32 H new ATOM 0 HB2 HIS A 130 13.399 7.502 19.710 1.00 11.34 H new ATOM 0 HB3 HIS A 130 13.126 6.405 18.371 1.00 11.34 H new ATOM 0 HD2 HIS A 130 15.864 6.196 16.834 1.00 34.14 H new ATOM 0 HE1 HIS A 130 17.769 5.938 20.602 1.00 54.30 H new ATOM 0 HE2 HIS A 130 18.021 5.517 18.115 1.00 1.11 H new ATOM 2210 N HIS A 131 15.528 9.791 17.413 1.00 71.02 N ATOM 2211 CA HIS A 131 16.363 11.007 17.371 1.00 41.13 C ATOM 2212 C HIS A 131 16.763 11.236 15.907 1.00 30.14 C ATOM 2213 O HIS A 131 17.217 10.292 15.247 1.00 63.43 O ATOM 2214 CB HIS A 131 17.641 10.869 18.244 1.00 21.33 C ATOM 2215 CG HIS A 131 17.395 10.821 19.727 1.00 75.11 C ATOM 2216 ND1 HIS A 131 17.464 11.932 20.539 1.00 23.53 N ATOM 2217 CD2 HIS A 131 17.091 9.787 20.543 1.00 3.54 C ATOM 2218 CE1 HIS A 131 17.212 11.579 21.783 1.00 61.34 C ATOM 2219 NE2 HIS A 131 16.985 10.285 21.811 1.00 45.33 N ATOM 0 H HIS A 131 15.891 9.040 16.825 1.00 71.02 H new ATOM 0 HA HIS A 131 15.794 11.847 17.771 1.00 41.13 H new ATOM 0 HB2 HIS A 131 18.168 9.962 17.949 1.00 21.33 H new ATOM 0 HB3 HIS A 131 18.303 11.707 18.028 1.00 21.33 H new ATOM 0 HD2 HIS A 131 16.957 8.757 20.247 1.00 3.54 H new ATOM 0 HE1 HIS A 131 17.195 12.241 22.636 1.00 61.34 H new ATOM 0 HE2 HIS A 131 16.765 9.740 22.645 1.00 45.33 H new ATOM 2228 N HIS A 132 16.560 12.461 15.396 1.00 64.22 N ATOM 2229 CA HIS A 132 17.008 12.841 14.041 1.00 75.22 C ATOM 2230 C HIS A 132 18.545 12.942 14.024 1.00 3.32 C ATOM 2231 O HIS A 132 19.135 13.618 14.869 1.00 64.04 O ATOM 2232 CB HIS A 132 16.351 14.176 13.598 1.00 1.24 C ATOM 2233 CG HIS A 132 16.869 14.735 12.290 1.00 51.40 C ATOM 2234 ND1 HIS A 132 17.502 15.959 12.191 1.00 5.12 N ATOM 2235 CD2 HIS A 132 16.837 14.239 11.026 1.00 21.20 C ATOM 2236 CE1 HIS A 132 17.835 16.184 10.937 1.00 51.43 C ATOM 2237 NE2 HIS A 132 17.443 15.159 10.211 1.00 4.31 N ATOM 0 H HIS A 132 16.087 13.210 15.901 1.00 64.22 H new ATOM 0 HA HIS A 132 16.697 12.076 13.330 1.00 75.22 H new ATOM 0 HB2 HIS A 132 15.275 14.024 13.511 1.00 1.24 H new ATOM 0 HB3 HIS A 132 16.506 14.918 14.381 1.00 1.24 H new ATOM 0 HD2 HIS A 132 16.412 13.294 10.720 1.00 21.20 H new ATOM 0 HE1 HIS A 132 18.344 17.062 10.567 1.00 51.43 H new ATOM 0 HE2 HIS A 132 17.570 15.064 9.203 1.00 4.31 H new ATOM 2246 N HIS A 133 19.175 12.247 13.060 1.00 30.54 N ATOM 2247 CA HIS A 133 20.644 12.170 12.925 1.00 42.20 C ATOM 2248 C HIS A 133 21.111 12.975 11.701 1.00 52.13 C ATOM 2249 O HIS A 133 20.342 13.178 10.755 1.00 74.42 O ATOM 2250 CB HIS A 133 21.085 10.682 12.802 1.00 62.22 C ATOM 2251 CG HIS A 133 20.670 9.826 13.976 1.00 31.15 C ATOM 2252 ND1 HIS A 133 19.819 8.744 13.866 1.00 45.33 N ATOM 2253 CD2 HIS A 133 20.994 9.900 15.291 1.00 12.22 C ATOM 2254 CE1 HIS A 133 19.642 8.201 15.055 1.00 51.23 C ATOM 2255 NE2 HIS A 133 20.343 8.883 15.935 1.00 60.44 N ATOM 0 H HIS A 133 18.676 11.718 12.345 1.00 30.54 H new ATOM 0 HA HIS A 133 21.106 12.601 13.813 1.00 42.20 H new ATOM 0 HB2 HIS A 133 20.662 10.261 11.890 1.00 62.22 H new ATOM 0 HB3 HIS A 133 22.169 10.641 12.699 1.00 62.22 H new ATOM 0 HD2 HIS A 133 21.647 10.629 15.747 1.00 12.22 H new ATOM 0 HE1 HIS A 133 19.025 7.341 15.270 1.00 51.23 H new ATOM 0 HE2 HIS A 133 20.393 8.686 16.935 1.00 60.44 H new ATOM 2264 N HIS A 134 22.370 13.450 11.747 1.00 41.24 N ATOM 2265 CA HIS A 134 23.032 14.134 10.618 1.00 30.20 C ATOM 2266 C HIS A 134 23.966 13.133 9.903 1.00 70.32 C ATOM 2267 O HIS A 134 25.135 12.980 10.318 1.00 33.50 O ATOM 2268 CB HIS A 134 23.799 15.413 11.087 1.00 14.03 C ATOM 2269 CG HIS A 134 22.903 16.574 11.439 1.00 54.03 C ATOM 2270 ND1 HIS A 134 22.523 16.869 12.724 1.00 3.32 N ATOM 2271 CD2 HIS A 134 22.292 17.499 10.655 1.00 10.30 C ATOM 2272 CE1 HIS A 134 21.725 17.914 12.721 1.00 30.04 C ATOM 2273 NE2 HIS A 134 21.566 18.318 11.481 1.00 62.12 N ATOM 2274 OXT HIS A 134 23.512 12.466 8.951 1.00 38.48 O ATOM 0 H HIS A 134 22.961 13.370 12.574 1.00 41.24 H new ATOM 0 HA HIS A 134 22.274 14.477 9.914 1.00 30.20 H new ATOM 0 HB2 HIS A 134 24.407 15.161 11.956 1.00 14.03 H new ATOM 0 HB3 HIS A 134 24.484 15.723 10.298 1.00 14.03 H new ATOM 0 HD2 HIS A 134 22.364 17.575 9.580 1.00 10.30 H new ATOM 0 HE1 HIS A 134 21.275 18.365 13.593 1.00 30.04 H new ATOM 0 HE2 HIS A 134 20.997 19.110 11.182 1.00 62.12 H new TER 2283 HIS A 134