USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1051 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 105 LYS NZ :NH3+ 137:sc= 0.797 (180deg=-0.14) USER MOD Set 1.2: A 120 GLN : amide:sc= -0.447 K(o=0.35,f=-2.8) USER MOD Set 2.1: A 109 SER OG : rot 180:sc= 1.01 USER MOD Set 2.2: A 111 LYS NZ :NH3+ -178:sc= 0.983 (180deg=-0.227) USER MOD Set 3.1: A 38 GLN : amide:sc= -0.437! C(o=1!,f=-3.5!) USER MOD Set 3.2: A 40 SER OG : rot 119:sc= 1.46 USER MOD Set 4.1: A 1 TYR N :NH3+ 175:sc= 0.306 (180deg=-1.14) USER MOD Set 4.2: A 132 SER OG : rot 180:sc= 0.952 USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -113:sc= -0.881 (180deg=-3.02!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 148:sc= 0.00329 (180deg=0) USER MOD Single : A 8 TYR OH : rot 121:sc= 0.586 USER MOD Single : A 9 CYS SG : rot -156:sc= -3.68! USER MOD Single : A 10 SER OG : rot -160:sc= 0 USER MOD Single : A 11 ASN :FLIP amide:sc= -0.0798 F(o=-1.6!,f=-0.08) USER MOD Single : A 14 HIS : no HD1:sc= -1.01 X(o=-1,f=-0.63) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0214 USER MOD Single : A 33 GLN : amide:sc= -0.0239 K(o=-0.024,f=-1.3!) USER MOD Single : A 34 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.4!) USER MOD Single : A 36 GLN :FLIP amide:sc= -2.89! C(o=-4.4!,f=-2.9!) USER MOD Single : A 43 SER OG : rot 142:sc= 1.28 USER MOD Single : A 48 TYR OH : rot 85:sc= 0.899 USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 0.751 (180deg=0.734) USER MOD Single : A 51 SER OG : rot 162:sc= 0.331 USER MOD Single : A 52 THR OG1 : rot -130:sc= -0.802 USER MOD Single : A 54 THR OG1 : rot -141:sc= 0.819 USER MOD Single : A 56 GLN :FLIP amide:sc= -3.07 F(o=-6.2!,f=-3.1) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -171:sc= -1.93 (180deg=-2.43) USER MOD Single : A 62 THR OG1 : rot 8:sc= 0.921 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 126:sc= 0.793 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 71 THR OG1 : rot 79:sc= 1.43 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.698 F(o=-3.5!,f=-0.7) USER MOD Single : A 76 CYS SG : rot -68:sc= -1.41 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.077 K(o=-0.077,f=-5.6!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.0495 X(o=0.05,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 40:sc= 1.12 USER MOD Single : A 92 SER OG : rot 118:sc= -0.307 USER MOD Single : A 93 LYS NZ :NH3+ -108:sc= 0.856 (180deg=-0.0995) USER MOD Single : A 94 LYS NZ :NH3+ 166:sc= -0.0206 (180deg=-0.187) USER MOD Single : A 95 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.41) USER MOD Single : A 98 LYS NZ :NH3+ 161:sc= -0.0601 (180deg=-0.424) USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ -155:sc= -4.16 (180deg=-4.45!) USER MOD Single : A 107 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.15) USER MOD Single : A 110 CYS SG : rot 102:sc= -18.1! USER MOD Single : A 116 THR OG1 : rot -113:sc= 1.01 USER MOD Single : A 117 HIS : no HE2:sc= 1.07 K(o=1.1,f=-4.8!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ -165:sc= -0.0525 (180deg=-0.339) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 16.750 -7.210 7.281 1.00 2.41 N ATOM 2 CA TYR A 1 16.705 -5.976 8.090 1.00 2.09 C ATOM 3 C TYR A 1 15.292 -5.432 8.040 1.00 2.03 C ATOM 4 O TYR A 1 15.042 -4.335 7.540 1.00 2.57 O ATOM 5 CB TYR A 1 17.708 -4.936 7.560 1.00 2.90 C ATOM 6 CG TYR A 1 17.890 -3.732 8.465 1.00 3.87 C ATOM 7 CD1 TYR A 1 18.625 -3.826 9.642 1.00 4.39 C ATOM 8 CD2 TYR A 1 17.326 -2.503 8.141 1.00 4.74 C ATOM 9 CE1 TYR A 1 18.793 -2.730 10.467 1.00 5.57 C ATOM 10 CE2 TYR A 1 17.491 -1.404 8.963 1.00 5.86 C ATOM 11 CZ TYR A 1 18.225 -1.524 10.124 1.00 6.21 C ATOM 12 OH TYR A 1 18.396 -0.429 10.942 1.00 7.47 O ATOM 0 H1 TYR A 1 17.729 -7.556 7.230 1.00 2.41 H new ATOM 0 H2 TYR A 1 16.148 -7.935 7.721 1.00 2.41 H new ATOM 0 H3 TYR A 1 16.404 -7.009 6.321 1.00 2.41 H new ATOM 0 HA TYR A 1 16.984 -6.197 9.120 1.00 2.09 H new ATOM 0 HB2 TYR A 1 18.675 -5.419 7.418 1.00 2.90 H new ATOM 0 HB3 TYR A 1 17.376 -4.593 6.580 1.00 2.90 H new ATOM 0 HD1 TYR A 1 19.072 -4.771 9.916 1.00 4.39 H new ATOM 0 HD2 TYR A 1 16.750 -2.406 7.233 1.00 4.74 H new ATOM 0 HE1 TYR A 1 19.368 -2.819 11.377 1.00 5.57 H new ATOM 0 HE2 TYR A 1 17.047 -0.456 8.697 1.00 5.86 H new ATOM 0 HH TYR A 1 17.932 0.343 10.556 1.00 7.47 H new ATOM 24 N LYS A 2 14.352 -6.216 8.539 1.00 2.03 N ATOM 25 CA LYS A 2 12.959 -5.919 8.307 1.00 2.09 C ATOM 26 C LYS A 2 12.430 -4.923 9.324 1.00 1.28 C ATOM 27 O LYS A 2 12.697 -5.024 10.522 1.00 1.83 O ATOM 28 CB LYS A 2 12.152 -7.217 8.359 1.00 3.32 C ATOM 29 CG LYS A 2 12.679 -8.283 7.411 1.00 4.26 C ATOM 30 CD LYS A 2 11.930 -9.607 7.528 1.00 5.27 C ATOM 31 CE LYS A 2 12.179 -10.306 8.857 1.00 6.31 C ATOM 32 NZ LYS A 2 11.313 -9.783 9.950 1.00 6.96 N ATOM 0 H LYS A 2 14.529 -7.050 9.099 1.00 2.03 H new ATOM 0 HA LYS A 2 12.857 -5.464 7.322 1.00 2.09 H new ATOM 0 HB2 LYS A 2 12.165 -7.606 9.377 1.00 3.32 H new ATOM 0 HB3 LYS A 2 11.112 -7.002 8.113 1.00 3.32 H new ATOM 0 HG2 LYS A 2 12.605 -7.919 6.386 1.00 4.26 H new ATOM 0 HG3 LYS A 2 13.737 -8.451 7.614 1.00 4.26 H new ATOM 0 HD2 LYS A 2 10.861 -9.427 7.411 1.00 5.27 H new ATOM 0 HD3 LYS A 2 12.233 -10.265 6.713 1.00 5.27 H new ATOM 0 HE2 LYS A 2 12.003 -11.375 8.739 1.00 6.31 H new ATOM 0 HE3 LYS A 2 13.225 -10.184 9.137 1.00 6.31 H new ATOM 0 HZ1 LYS A 2 11.901 -9.294 10.655 1.00 6.96 H new ATOM 0 HZ2 LYS A 2 10.620 -9.116 9.555 1.00 6.96 H new ATOM 0 HZ3 LYS A 2 10.813 -10.573 10.405 1.00 6.96 H new ATOM 46 N LYS A 3 11.681 -3.966 8.811 1.00 0.93 N ATOM 47 CA LYS A 3 10.946 -2.999 9.607 1.00 0.96 C ATOM 48 C LYS A 3 9.914 -2.342 8.701 1.00 0.78 C ATOM 49 O LYS A 3 8.715 -2.393 8.974 1.00 1.17 O ATOM 50 CB LYS A 3 11.889 -1.971 10.260 1.00 1.91 C ATOM 51 CG LYS A 3 11.182 -0.913 11.095 1.00 2.62 C ATOM 52 CD LYS A 3 12.173 0.107 11.643 1.00 3.43 C ATOM 53 CE LYS A 3 12.827 0.911 10.525 1.00 4.25 C ATOM 54 NZ LYS A 3 13.945 1.754 11.027 1.00 4.81 N ATOM 0 H LYS A 3 11.563 -3.835 7.806 1.00 0.93 H new ATOM 0 HA LYS A 3 10.440 -3.497 10.434 1.00 0.96 H new ATOM 0 HB2 LYS A 3 12.602 -2.500 10.893 1.00 1.91 H new ATOM 0 HB3 LYS A 3 12.464 -1.475 9.478 1.00 1.91 H new ATOM 0 HG2 LYS A 3 10.433 -0.406 10.487 1.00 2.62 H new ATOM 0 HG3 LYS A 3 10.653 -1.390 11.920 1.00 2.62 H new ATOM 0 HD2 LYS A 3 11.659 0.784 12.326 1.00 3.43 H new ATOM 0 HD3 LYS A 3 12.942 -0.406 12.221 1.00 3.43 H new ATOM 0 HE2 LYS A 3 13.201 0.231 9.760 1.00 4.25 H new ATOM 0 HE3 LYS A 3 12.079 1.546 10.049 1.00 4.25 H new ATOM 0 HZ1 LYS A 3 14.362 2.284 10.236 1.00 4.81 H new ATOM 0 HZ2 LYS A 3 13.584 2.421 11.739 1.00 4.81 H new ATOM 0 HZ3 LYS A 3 14.671 1.147 11.458 1.00 4.81 H new ATOM 68 N PRO A 4 10.362 -1.725 7.588 1.00 0.45 N ATOM 69 CA PRO A 4 9.473 -1.265 6.550 1.00 0.41 C ATOM 70 C PRO A 4 9.274 -2.341 5.493 1.00 0.39 C ATOM 71 O PRO A 4 10.204 -3.079 5.151 1.00 0.53 O ATOM 72 CB PRO A 4 10.200 -0.054 5.957 1.00 0.59 C ATOM 73 CG PRO A 4 11.604 -0.097 6.491 1.00 0.72 C ATOM 74 CD PRO A 4 11.752 -1.391 7.243 1.00 0.80 C ATOM 0 HA PRO A 4 8.479 -1.021 6.925 1.00 0.41 H new ATOM 0 HB2 PRO A 4 10.198 -0.095 4.868 1.00 0.59 H new ATOM 0 HB3 PRO A 4 9.705 0.874 6.242 1.00 0.59 H new ATOM 0 HG2 PRO A 4 12.327 -0.039 5.678 1.00 0.72 H new ATOM 0 HG3 PRO A 4 11.793 0.753 7.146 1.00 0.72 H new ATOM 0 HD2 PRO A 4 12.214 -2.165 6.630 1.00 0.80 H new ATOM 0 HD3 PRO A 4 12.373 -1.274 8.131 1.00 0.80 H new ATOM 82 N LYS A 5 8.059 -2.448 5.016 1.00 0.38 N ATOM 83 CA LYS A 5 7.732 -3.359 3.937 1.00 0.38 C ATOM 84 C LYS A 5 7.635 -2.583 2.632 1.00 0.35 C ATOM 85 O LYS A 5 7.462 -1.366 2.633 1.00 0.40 O ATOM 86 CB LYS A 5 6.400 -4.065 4.215 1.00 0.44 C ATOM 87 CG LYS A 5 6.345 -4.794 5.550 1.00 1.16 C ATOM 88 CD LYS A 5 5.001 -5.483 5.747 1.00 1.64 C ATOM 89 CE LYS A 5 4.873 -6.078 7.141 1.00 2.57 C ATOM 90 NZ LYS A 5 3.573 -6.779 7.329 1.00 3.33 N ATOM 0 H LYS A 5 7.266 -1.908 5.362 1.00 0.38 H new ATOM 0 HA LYS A 5 8.517 -4.112 3.862 1.00 0.38 H new ATOM 0 HB2 LYS A 5 5.598 -3.328 4.183 1.00 0.44 H new ATOM 0 HB3 LYS A 5 6.207 -4.780 3.415 1.00 0.44 H new ATOM 0 HG2 LYS A 5 7.145 -5.532 5.597 1.00 1.16 H new ATOM 0 HG3 LYS A 5 6.516 -4.086 6.361 1.00 1.16 H new ATOM 0 HD2 LYS A 5 4.197 -4.766 5.582 1.00 1.64 H new ATOM 0 HD3 LYS A 5 4.883 -6.271 5.003 1.00 1.64 H new ATOM 0 HE2 LYS A 5 5.691 -6.778 7.313 1.00 2.57 H new ATOM 0 HE3 LYS A 5 4.969 -5.286 7.884 1.00 2.57 H new ATOM 0 HZ1 LYS A 5 3.701 -7.578 7.983 1.00 3.33 H new ATOM 0 HZ2 LYS A 5 2.875 -6.116 7.724 1.00 3.33 H new ATOM 0 HZ3 LYS A 5 3.234 -7.133 6.412 1.00 3.33 H new ATOM 104 N LEU A 6 7.767 -3.276 1.525 1.00 0.35 N ATOM 105 CA LEU A 6 7.579 -2.661 0.231 1.00 0.37 C ATOM 106 C LEU A 6 6.246 -3.064 -0.354 1.00 0.37 C ATOM 107 O LEU A 6 5.699 -4.126 -0.031 1.00 0.46 O ATOM 108 CB LEU A 6 8.727 -2.958 -0.746 1.00 0.51 C ATOM 109 CG LEU A 6 9.059 -4.428 -1.047 1.00 0.64 C ATOM 110 CD1 LEU A 6 7.940 -5.131 -1.808 1.00 1.24 C ATOM 111 CD2 LEU A 6 10.328 -4.482 -1.862 1.00 1.49 C ATOM 0 H LEU A 6 8.004 -4.268 1.494 1.00 0.35 H new ATOM 0 HA LEU A 6 7.585 -1.582 0.387 1.00 0.37 H new ATOM 0 HB2 LEU A 6 8.495 -2.468 -1.692 1.00 0.51 H new ATOM 0 HB3 LEU A 6 9.628 -2.486 -0.355 1.00 0.51 H new ATOM 0 HG LEU A 6 9.182 -4.946 -0.096 1.00 0.64 H new ATOM 0 HD11 LEU A 6 8.223 -6.167 -1.996 1.00 1.24 H new ATOM 0 HD12 LEU A 6 7.026 -5.107 -1.215 1.00 1.24 H new ATOM 0 HD13 LEU A 6 7.770 -4.623 -2.757 1.00 1.24 H new ATOM 0 HD21 LEU A 6 10.575 -5.521 -2.083 1.00 1.49 H new ATOM 0 HD22 LEU A 6 10.185 -3.937 -2.795 1.00 1.49 H new ATOM 0 HD23 LEU A 6 11.142 -4.027 -1.298 1.00 1.49 H new ATOM 123 N LEU A 7 5.728 -2.207 -1.203 1.00 0.36 N ATOM 124 CA LEU A 7 4.438 -2.425 -1.809 1.00 0.39 C ATOM 125 C LEU A 7 4.609 -3.127 -3.145 1.00 0.41 C ATOM 126 O LEU A 7 4.855 -2.492 -4.175 1.00 0.58 O ATOM 127 CB LEU A 7 3.762 -1.068 -2.006 1.00 0.55 C ATOM 128 CG LEU A 7 2.283 -1.064 -2.413 1.00 0.59 C ATOM 129 CD1 LEU A 7 2.057 -1.567 -3.830 1.00 1.53 C ATOM 130 CD2 LEU A 7 1.447 -1.853 -1.417 1.00 1.25 C ATOM 0 H LEU A 7 6.188 -1.343 -1.491 1.00 0.36 H new ATOM 0 HA LEU A 7 3.821 -3.054 -1.167 1.00 0.39 H new ATOM 0 HB2 LEU A 7 3.856 -0.508 -1.076 1.00 0.55 H new ATOM 0 HB3 LEU A 7 4.321 -0.521 -2.765 1.00 0.55 H new ATOM 0 HG LEU A 7 1.958 -0.024 -2.399 1.00 0.59 H new ATOM 0 HD11 LEU A 7 0.992 -1.541 -4.060 1.00 1.53 H new ATOM 0 HD12 LEU A 7 2.596 -0.931 -4.532 1.00 1.53 H new ATOM 0 HD13 LEU A 7 2.421 -2.591 -3.915 1.00 1.53 H new ATOM 0 HD21 LEU A 7 0.402 -1.837 -1.726 1.00 1.25 H new ATOM 0 HD22 LEU A 7 1.799 -2.884 -1.383 1.00 1.25 H new ATOM 0 HD23 LEU A 7 1.540 -1.405 -0.428 1.00 1.25 H new ATOM 142 N TYR A 8 4.538 -4.442 -3.122 1.00 0.50 N ATOM 143 CA TYR A 8 4.462 -5.192 -4.356 1.00 0.71 C ATOM 144 C TYR A 8 3.102 -5.912 -4.475 1.00 0.44 C ATOM 145 O TYR A 8 2.978 -7.045 -4.036 1.00 0.73 O ATOM 146 CB TYR A 8 5.616 -6.211 -4.248 1.00 1.29 C ATOM 147 CG TYR A 8 5.913 -7.103 -5.434 1.00 1.60 C ATOM 148 CD1 TYR A 8 5.255 -8.315 -5.612 1.00 1.84 C ATOM 149 CD2 TYR A 8 6.906 -6.760 -6.335 1.00 2.21 C ATOM 150 CE1 TYR A 8 5.582 -9.152 -6.660 1.00 2.43 C ATOM 151 CE2 TYR A 8 7.230 -7.585 -7.389 1.00 2.93 C ATOM 152 CZ TYR A 8 6.569 -8.780 -7.545 1.00 2.96 C ATOM 153 OH TYR A 8 6.908 -9.612 -8.582 1.00 3.74 O ATOM 0 H TYR A 8 4.531 -5.007 -2.273 1.00 0.50 H new ATOM 0 HA TYR A 8 4.546 -4.558 -5.239 1.00 0.71 H new ATOM 0 HB2 TYR A 8 6.525 -5.657 -4.016 1.00 1.29 H new ATOM 0 HB3 TYR A 8 5.409 -6.855 -3.394 1.00 1.29 H new ATOM 0 HD1 TYR A 8 4.478 -8.605 -4.921 1.00 1.84 H new ATOM 0 HD2 TYR A 8 7.437 -5.828 -6.209 1.00 2.21 H new ATOM 0 HE1 TYR A 8 5.067 -10.093 -6.785 1.00 2.43 H new ATOM 0 HE2 TYR A 8 7.999 -7.295 -8.089 1.00 2.93 H new ATOM 0 HH TYR A 8 6.777 -9.144 -9.433 1.00 3.74 H new ATOM 163 N CYS A 9 2.077 -5.285 -5.102 1.00 0.63 N ATOM 164 CA CYS A 9 0.900 -6.061 -5.528 1.00 0.75 C ATOM 165 C CYS A 9 0.486 -5.824 -6.990 1.00 1.05 C ATOM 166 O CYS A 9 -0.400 -5.031 -7.295 1.00 1.99 O ATOM 167 CB CYS A 9 -0.262 -5.697 -4.629 1.00 1.57 C ATOM 168 SG CYS A 9 -0.636 -3.944 -4.603 1.00 2.64 S ATOM 0 H CYS A 9 2.043 -4.288 -5.314 1.00 0.63 H new ATOM 0 HA CYS A 9 1.172 -7.114 -5.451 1.00 0.75 H new ATOM 0 HB2 CYS A 9 -1.147 -6.243 -4.956 1.00 1.57 H new ATOM 0 HB3 CYS A 9 -0.041 -6.027 -3.614 1.00 1.57 H new ATOM 0 HG CYS A 9 -1.249 -3.648 -3.496 1.00 2.64 H new ATOM 174 N SER A 10 1.172 -6.472 -7.877 1.00 0.83 N ATOM 175 CA SER A 10 0.711 -6.868 -9.193 1.00 1.29 C ATOM 176 C SER A 10 1.325 -8.229 -9.396 1.00 0.84 C ATOM 177 O SER A 10 2.361 -8.479 -8.766 1.00 1.34 O ATOM 178 CB SER A 10 1.155 -5.881 -10.279 1.00 2.36 C ATOM 179 OG SER A 10 0.556 -6.176 -11.529 1.00 3.16 O ATOM 0 H SER A 10 2.134 -6.763 -7.701 1.00 0.83 H new ATOM 0 HA SER A 10 -0.377 -6.883 -9.262 1.00 1.29 H new ATOM 0 HB2 SER A 10 0.892 -4.867 -9.979 1.00 2.36 H new ATOM 0 HB3 SER A 10 2.240 -5.912 -10.378 1.00 2.36 H new ATOM 0 HG SER A 10 1.076 -5.759 -12.247 1.00 3.16 H new ATOM 185 N ASN A 11 0.807 -9.122 -10.215 1.00 1.45 N ATOM 186 CA ASN A 11 1.720 -10.170 -10.619 1.00 1.79 C ATOM 187 C ASN A 11 2.565 -9.563 -11.739 1.00 1.40 C ATOM 188 O ASN A 11 2.180 -9.554 -12.905 1.00 1.83 O ATOM 189 CB ASN A 11 0.956 -11.407 -11.102 1.00 2.89 C ATOM 190 CG ASN A 11 1.850 -12.623 -11.275 1.00 3.45 C ATOM 191 OD1 ASN A 11 2.868 -12.744 -10.437 1.00 3.71 O flip ATOM 192 ND2 ASN A 11 1.620 -13.460 -12.147 1.00 4.02 N flip ATOM 0 H ASN A 11 -0.144 -9.151 -10.584 1.00 1.45 H new ATOM 0 HA ASN A 11 2.342 -10.508 -9.790 1.00 1.79 H new ATOM 0 HB2 ASN A 11 0.166 -11.642 -10.389 1.00 2.89 H new ATOM 0 HB3 ASN A 11 0.471 -11.181 -12.052 1.00 2.89 H new ATOM 0 HD21 ASN A 11 0.827 -13.336 -12.776 1.00 4.02 H new ATOM 0 HD22 ASN A 11 2.222 -14.278 -12.240 1.00 4.02 H new ATOM 199 N GLY A 12 3.713 -9.027 -11.334 1.00 1.41 N ATOM 200 CA GLY A 12 4.628 -8.360 -12.245 1.00 1.36 C ATOM 201 C GLY A 12 6.023 -8.266 -11.662 1.00 1.49 C ATOM 202 O GLY A 12 6.666 -9.268 -11.358 1.00 2.34 O ATOM 0 H GLY A 12 4.032 -9.045 -10.365 1.00 1.41 H new ATOM 0 HA2 GLY A 12 4.663 -8.903 -13.189 1.00 1.36 H new ATOM 0 HA3 GLY A 12 4.257 -7.359 -12.467 1.00 1.36 H new ATOM 206 N GLY A 13 6.465 -7.010 -11.510 1.00 0.97 N ATOM 207 CA GLY A 13 7.553 -6.670 -10.610 1.00 1.26 C ATOM 208 C GLY A 13 7.769 -5.159 -10.533 1.00 0.84 C ATOM 209 O GLY A 13 8.635 -4.609 -11.207 1.00 0.89 O ATOM 0 H GLY A 13 6.074 -6.211 -12.009 1.00 0.97 H new ATOM 0 HA2 GLY A 13 7.337 -7.058 -9.615 1.00 1.26 H new ATOM 0 HA3 GLY A 13 8.470 -7.152 -10.948 1.00 1.26 H new ATOM 213 N HIS A 14 6.941 -4.491 -9.724 1.00 0.78 N ATOM 214 CA HIS A 14 7.101 -3.075 -9.389 1.00 0.61 C ATOM 215 C HIS A 14 6.966 -2.905 -7.879 1.00 0.61 C ATOM 216 O HIS A 14 6.452 -3.804 -7.206 1.00 0.92 O ATOM 217 CB HIS A 14 6.087 -2.194 -10.131 1.00 0.85 C ATOM 218 CG HIS A 14 6.573 -1.663 -11.451 1.00 0.75 C ATOM 219 ND1 HIS A 14 5.878 -0.731 -12.189 1.00 1.31 N ATOM 220 CD2 HIS A 14 7.688 -1.941 -12.160 1.00 1.07 C ATOM 221 CE1 HIS A 14 6.544 -0.465 -13.297 1.00 1.17 C ATOM 222 NE2 HIS A 14 7.646 -1.187 -13.304 1.00 0.95 N ATOM 0 H HIS A 14 6.132 -4.924 -9.279 1.00 0.78 H new ATOM 0 HA HIS A 14 8.091 -2.750 -9.709 1.00 0.61 H new ATOM 0 HB2 HIS A 14 5.177 -2.771 -10.298 1.00 0.85 H new ATOM 0 HB3 HIS A 14 5.819 -1.353 -9.492 1.00 0.85 H new ATOM 0 HD2 HIS A 14 8.470 -2.631 -11.878 1.00 1.07 H new ATOM 0 HE1 HIS A 14 6.238 0.227 -14.067 1.00 1.17 H new ATOM 0 HE2 HIS A 14 8.352 -1.185 -14.040 1.00 0.95 H new ATOM 231 N PHE A 15 7.387 -1.765 -7.357 1.00 0.49 N ATOM 232 CA PHE A 15 7.384 -1.509 -5.931 1.00 0.45 C ATOM 233 C PHE A 15 7.041 -0.039 -5.719 1.00 0.39 C ATOM 234 O PHE A 15 7.488 0.802 -6.487 1.00 0.41 O ATOM 235 CB PHE A 15 8.762 -1.818 -5.333 1.00 0.51 C ATOM 236 CG PHE A 15 9.330 -3.165 -5.704 1.00 0.83 C ATOM 237 CD1 PHE A 15 10.056 -3.329 -6.872 1.00 1.15 C ATOM 238 CD2 PHE A 15 9.148 -4.262 -4.881 1.00 1.13 C ATOM 239 CE1 PHE A 15 10.592 -4.556 -7.210 1.00 1.62 C ATOM 240 CE2 PHE A 15 9.680 -5.494 -5.215 1.00 1.61 C ATOM 241 CZ PHE A 15 10.401 -5.641 -6.382 1.00 1.82 C ATOM 0 H PHE A 15 7.742 -0.989 -7.916 1.00 0.49 H new ATOM 0 HA PHE A 15 6.650 -2.146 -5.437 1.00 0.45 H new ATOM 0 HB2 PHE A 15 9.461 -1.045 -5.652 1.00 0.51 H new ATOM 0 HB3 PHE A 15 8.692 -1.756 -4.247 1.00 0.51 H new ATOM 0 HD1 PHE A 15 10.205 -2.484 -7.528 1.00 1.15 H new ATOM 0 HD2 PHE A 15 8.584 -4.155 -3.966 1.00 1.13 H new ATOM 0 HE1 PHE A 15 11.160 -4.665 -8.122 1.00 1.62 H new ATOM 0 HE2 PHE A 15 9.531 -6.341 -4.562 1.00 1.61 H new ATOM 0 HZ PHE A 15 10.814 -6.603 -6.646 1.00 1.82 H new ATOM 251 N LEU A 16 6.283 0.283 -4.685 1.00 0.43 N ATOM 252 CA LEU A 16 5.821 1.646 -4.490 1.00 0.50 C ATOM 253 C LEU A 16 6.886 2.513 -3.868 1.00 0.48 C ATOM 254 O LEU A 16 7.402 2.246 -2.784 1.00 0.64 O ATOM 255 CB LEU A 16 4.639 1.649 -3.549 1.00 0.75 C ATOM 256 CG LEU A 16 3.352 2.161 -4.136 1.00 1.35 C ATOM 257 CD1 LEU A 16 2.963 1.313 -5.330 1.00 2.23 C ATOM 258 CD2 LEU A 16 2.278 2.159 -3.065 1.00 1.59 C ATOM 0 H LEU A 16 5.976 -0.377 -3.971 1.00 0.43 H new ATOM 0 HA LEU A 16 5.557 2.040 -5.472 1.00 0.50 H new ATOM 0 HB2 LEU A 16 4.477 0.632 -3.192 1.00 0.75 H new ATOM 0 HB3 LEU A 16 4.889 2.256 -2.679 1.00 0.75 H new ATOM 0 HG LEU A 16 3.476 3.186 -4.487 1.00 1.35 H new ATOM 0 HD11 LEU A 16 2.030 1.686 -5.753 1.00 2.23 H new ATOM 0 HD12 LEU A 16 3.749 1.363 -6.084 1.00 2.23 H new ATOM 0 HD13 LEU A 16 2.829 0.279 -5.014 1.00 2.23 H new ATOM 0 HD21 LEU A 16 1.343 2.529 -3.486 1.00 1.59 H new ATOM 0 HD22 LEU A 16 2.133 1.143 -2.697 1.00 1.59 H new ATOM 0 HD23 LEU A 16 2.585 2.803 -2.241 1.00 1.59 H new ATOM 270 N ARG A 17 7.181 3.564 -4.599 1.00 0.40 N ATOM 271 CA ARG A 17 8.298 4.433 -4.328 1.00 0.42 C ATOM 272 C ARG A 17 7.786 5.864 -4.292 1.00 0.35 C ATOM 273 O ARG A 17 6.825 6.187 -5.001 1.00 0.37 O ATOM 274 CB ARG A 17 9.315 4.201 -5.445 1.00 0.59 C ATOM 275 CG ARG A 17 10.547 5.074 -5.411 1.00 1.00 C ATOM 276 CD ARG A 17 11.644 4.458 -6.262 1.00 1.17 C ATOM 277 NE ARG A 17 12.589 5.463 -6.755 1.00 1.46 N ATOM 278 CZ ARG A 17 13.895 5.473 -6.467 1.00 1.93 C ATOM 279 NH1 ARG A 17 14.424 4.527 -5.702 1.00 2.43 N ATOM 280 NH2 ARG A 17 14.680 6.429 -6.952 1.00 2.61 N ATOM 0 H ARG A 17 6.637 3.842 -5.416 1.00 0.40 H new ATOM 0 HA ARG A 17 8.776 4.233 -3.369 1.00 0.42 H new ATOM 0 HB2 ARG A 17 9.632 3.159 -5.410 1.00 0.59 H new ATOM 0 HB3 ARG A 17 8.814 4.350 -6.402 1.00 0.59 H new ATOM 0 HG2 ARG A 17 10.306 6.071 -5.779 1.00 1.00 H new ATOM 0 HG3 ARG A 17 10.893 5.189 -4.384 1.00 1.00 H new ATOM 0 HD2 ARG A 17 12.181 3.712 -5.676 1.00 1.17 H new ATOM 0 HD3 ARG A 17 11.196 3.936 -7.108 1.00 1.17 H new ATOM 0 HE ARG A 17 12.228 6.203 -7.357 1.00 1.46 H new ATOM 0 HH11 ARG A 17 13.834 3.784 -5.328 1.00 2.43 H new ATOM 0 HH12 ARG A 17 15.421 4.543 -5.488 1.00 2.43 H new ATOM 0 HH21 ARG A 17 14.287 7.159 -7.546 1.00 2.61 H new ATOM 0 HH22 ARG A 17 15.676 6.433 -6.730 1.00 2.61 H new ATOM 294 N ILE A 18 8.383 6.724 -3.478 1.00 0.33 N ATOM 295 CA ILE A 18 7.879 8.074 -3.366 1.00 0.31 C ATOM 296 C ILE A 18 8.620 9.034 -4.269 1.00 0.32 C ATOM 297 O ILE A 18 9.837 8.947 -4.452 1.00 0.36 O ATOM 298 CB ILE A 18 7.959 8.622 -1.936 1.00 0.36 C ATOM 299 CG1 ILE A 18 9.411 8.661 -1.446 1.00 0.45 C ATOM 300 CG2 ILE A 18 7.086 7.796 -1.005 1.00 0.41 C ATOM 301 CD1 ILE A 18 9.619 9.560 -0.244 1.00 0.91 C ATOM 0 H ILE A 18 9.197 6.513 -2.901 1.00 0.33 H new ATOM 0 HA ILE A 18 6.834 8.006 -3.668 1.00 0.31 H new ATOM 0 HB ILE A 18 7.584 9.645 -1.935 1.00 0.36 H new ATOM 0 HG12 ILE A 18 9.728 7.649 -1.192 1.00 0.45 H new ATOM 0 HG13 ILE A 18 10.052 9.001 -2.260 1.00 0.45 H new ATOM 0 HG21 ILE A 18 7.153 8.196 0.007 1.00 0.41 H new ATOM 0 HG22 ILE A 18 6.051 7.838 -1.344 1.00 0.41 H new ATOM 0 HG23 ILE A 18 7.428 6.761 -1.009 1.00 0.41 H new ATOM 0 HD11 ILE A 18 10.669 9.539 0.048 1.00 0.91 H new ATOM 0 HD12 ILE A 18 9.333 10.581 -0.499 1.00 0.91 H new ATOM 0 HD13 ILE A 18 9.005 9.208 0.585 1.00 0.91 H new ATOM 313 N LEU A 19 7.858 9.941 -4.838 1.00 0.36 N ATOM 314 CA LEU A 19 8.397 11.038 -5.608 1.00 0.42 C ATOM 315 C LEU A 19 8.095 12.330 -4.867 1.00 0.41 C ATOM 316 O LEU A 19 7.161 12.380 -4.064 1.00 0.43 O ATOM 317 CB LEU A 19 7.770 11.085 -7.014 1.00 0.54 C ATOM 318 CG LEU A 19 8.104 9.918 -7.951 1.00 0.96 C ATOM 319 CD1 LEU A 19 9.603 9.672 -7.994 1.00 1.56 C ATOM 320 CD2 LEU A 19 7.357 8.655 -7.545 1.00 1.84 C ATOM 0 H LEU A 19 6.840 9.938 -4.779 1.00 0.36 H new ATOM 0 HA LEU A 19 9.472 10.905 -5.726 1.00 0.42 H new ATOM 0 HB2 LEU A 19 6.687 11.134 -6.903 1.00 0.54 H new ATOM 0 HB3 LEU A 19 8.083 12.011 -7.497 1.00 0.54 H new ATOM 0 HG LEU A 19 7.776 10.190 -8.954 1.00 0.96 H new ATOM 0 HD11 LEU A 19 9.816 8.840 -8.665 1.00 1.56 H new ATOM 0 HD12 LEU A 19 10.108 10.568 -8.355 1.00 1.56 H new ATOM 0 HD13 LEU A 19 9.961 9.432 -6.993 1.00 1.56 H new ATOM 0 HD21 LEU A 19 7.614 7.845 -8.228 1.00 1.84 H new ATOM 0 HD22 LEU A 19 7.638 8.377 -6.529 1.00 1.84 H new ATOM 0 HD23 LEU A 19 6.283 8.838 -7.587 1.00 1.84 H new ATOM 332 N PRO A 20 8.858 13.398 -5.125 1.00 0.54 N ATOM 333 CA PRO A 20 8.627 14.700 -4.495 1.00 0.67 C ATOM 334 C PRO A 20 7.426 15.398 -5.116 1.00 0.68 C ATOM 335 O PRO A 20 7.094 16.532 -4.779 1.00 0.84 O ATOM 336 CB PRO A 20 9.907 15.488 -4.804 1.00 0.89 C ATOM 337 CG PRO A 20 10.871 14.492 -5.364 1.00 0.96 C ATOM 338 CD PRO A 20 10.034 13.424 -5.998 1.00 0.70 C ATOM 0 HA PRO A 20 8.419 14.614 -3.428 1.00 0.67 H new ATOM 0 HB2 PRO A 20 9.711 16.288 -5.518 1.00 0.89 H new ATOM 0 HB3 PRO A 20 10.306 15.955 -3.904 1.00 0.89 H new ATOM 0 HG2 PRO A 20 11.532 14.957 -6.096 1.00 0.96 H new ATOM 0 HG3 PRO A 20 11.505 14.078 -4.580 1.00 0.96 H new ATOM 0 HD2 PRO A 20 9.772 13.669 -7.027 1.00 0.70 H new ATOM 0 HD3 PRO A 20 10.547 12.463 -6.019 1.00 0.70 H new ATOM 346 N ASP A 21 6.786 14.687 -6.029 1.00 0.62 N ATOM 347 CA ASP A 21 5.562 15.145 -6.666 1.00 0.78 C ATOM 348 C ASP A 21 4.367 14.841 -5.772 1.00 0.75 C ATOM 349 O ASP A 21 3.290 15.425 -5.921 1.00 0.99 O ATOM 350 CB ASP A 21 5.374 14.449 -8.016 1.00 0.94 C ATOM 351 CG ASP A 21 6.535 14.672 -8.961 1.00 1.51 C ATOM 352 OD1 ASP A 21 7.525 13.910 -8.889 1.00 2.30 O ATOM 353 OD2 ASP A 21 6.463 15.602 -9.789 1.00 1.71 O ATOM 0 H ASP A 21 7.102 13.772 -6.351 1.00 0.62 H new ATOM 0 HA ASP A 21 5.635 16.221 -6.825 1.00 0.78 H new ATOM 0 HB2 ASP A 21 5.246 13.379 -7.853 1.00 0.94 H new ATOM 0 HB3 ASP A 21 4.458 14.812 -8.482 1.00 0.94 H new ATOM 358 N GLY A 22 4.573 13.919 -4.838 1.00 0.59 N ATOM 359 CA GLY A 22 3.513 13.507 -3.944 1.00 0.72 C ATOM 360 C GLY A 22 2.814 12.251 -4.422 1.00 0.61 C ATOM 361 O GLY A 22 1.607 12.116 -4.276 1.00 0.81 O ATOM 0 H GLY A 22 5.464 13.447 -4.686 1.00 0.59 H new ATOM 0 HA2 GLY A 22 3.926 13.335 -2.950 1.00 0.72 H new ATOM 0 HA3 GLY A 22 2.785 14.313 -3.852 1.00 0.72 H new ATOM 365 N THR A 23 3.568 11.332 -4.999 1.00 0.43 N ATOM 366 CA THR A 23 3.022 10.099 -5.498 1.00 0.39 C ATOM 367 C THR A 23 3.608 8.919 -4.762 1.00 0.40 C ATOM 368 O THR A 23 4.770 8.960 -4.352 1.00 0.46 O ATOM 369 CB THR A 23 3.414 9.911 -6.953 1.00 0.44 C ATOM 370 OG1 THR A 23 3.691 11.187 -7.556 1.00 0.49 O ATOM 371 CG2 THR A 23 2.315 9.208 -7.718 1.00 0.59 C ATOM 0 H THR A 23 4.575 11.427 -5.131 1.00 0.43 H new ATOM 0 HA THR A 23 1.941 10.150 -5.368 1.00 0.39 H new ATOM 0 HB THR A 23 4.311 9.293 -6.990 1.00 0.44 H new ATOM 0 HG1 THR A 23 3.945 11.058 -8.494 1.00 0.49 H new ATOM 0 HG21 THR A 23 2.617 9.084 -8.758 1.00 0.59 H new ATOM 0 HG22 THR A 23 2.131 8.229 -7.274 1.00 0.59 H new ATOM 0 HG23 THR A 23 1.403 9.803 -7.674 1.00 0.59 H new ATOM 379 N VAL A 24 2.831 7.868 -4.596 1.00 0.47 N ATOM 380 CA VAL A 24 3.433 6.592 -4.297 1.00 0.56 C ATOM 381 C VAL A 24 2.981 5.579 -5.358 1.00 0.42 C ATOM 382 O VAL A 24 1.825 5.153 -5.425 1.00 0.50 O ATOM 383 CB VAL A 24 3.124 6.126 -2.853 1.00 0.91 C ATOM 384 CG1 VAL A 24 1.708 5.613 -2.727 1.00 0.97 C ATOM 385 CG2 VAL A 24 4.135 5.087 -2.394 1.00 1.61 C ATOM 0 H VAL A 24 1.813 7.872 -4.661 1.00 0.47 H new ATOM 0 HA VAL A 24 4.518 6.683 -4.337 1.00 0.56 H new ATOM 0 HB VAL A 24 3.211 6.992 -2.196 1.00 0.91 H new ATOM 0 HG11 VAL A 24 1.526 5.295 -1.700 1.00 0.97 H new ATOM 0 HG12 VAL A 24 1.009 6.407 -2.990 1.00 0.97 H new ATOM 0 HG13 VAL A 24 1.566 4.767 -3.400 1.00 0.97 H new ATOM 0 HG21 VAL A 24 3.899 4.774 -1.377 1.00 1.61 H new ATOM 0 HG22 VAL A 24 4.096 4.223 -3.058 1.00 1.61 H new ATOM 0 HG23 VAL A 24 5.136 5.518 -2.418 1.00 1.61 H new ATOM 395 N ASP A 25 3.887 5.275 -6.253 1.00 0.37 N ATOM 396 CA ASP A 25 3.587 4.390 -7.375 1.00 0.37 C ATOM 397 C ASP A 25 4.633 3.328 -7.514 1.00 0.39 C ATOM 398 O ASP A 25 5.709 3.436 -6.927 1.00 0.43 O ATOM 399 CB ASP A 25 3.434 5.174 -8.684 1.00 0.48 C ATOM 400 CG ASP A 25 4.716 5.846 -9.153 1.00 0.80 C ATOM 401 OD1 ASP A 25 5.594 5.137 -9.690 1.00 1.10 O ATOM 402 OD2 ASP A 25 4.871 7.071 -8.948 1.00 1.16 O ATOM 0 H ASP A 25 4.845 5.624 -6.235 1.00 0.37 H new ATOM 0 HA ASP A 25 2.633 3.906 -7.164 1.00 0.37 H new ATOM 0 HB2 ASP A 25 3.084 4.497 -9.463 1.00 0.48 H new ATOM 0 HB3 ASP A 25 2.664 5.934 -8.553 1.00 0.48 H new ATOM 407 N GLY A 26 4.326 2.286 -8.274 1.00 0.38 N ATOM 408 CA GLY A 26 5.300 1.238 -8.393 1.00 0.40 C ATOM 409 C GLY A 26 6.280 1.413 -9.526 1.00 0.42 C ATOM 410 O GLY A 26 5.943 1.760 -10.656 1.00 0.52 O ATOM 0 H GLY A 26 3.455 2.155 -8.788 1.00 0.38 H new ATOM 0 HA2 GLY A 26 5.856 1.169 -7.458 1.00 0.40 H new ATOM 0 HA3 GLY A 26 4.779 0.290 -8.525 1.00 0.40 H new ATOM 414 N THR A 27 7.492 1.105 -9.166 1.00 0.42 N ATOM 415 CA THR A 27 8.663 1.103 -10.005 1.00 0.50 C ATOM 416 C THR A 27 9.508 -0.034 -9.516 1.00 0.54 C ATOM 417 O THR A 27 9.460 -0.324 -8.322 1.00 0.56 O ATOM 418 CB THR A 27 9.423 2.439 -9.887 1.00 0.57 C ATOM 419 OG1 THR A 27 8.744 3.460 -10.627 1.00 0.67 O ATOM 420 CG2 THR A 27 10.859 2.303 -10.365 1.00 0.70 C ATOM 0 H THR A 27 7.707 0.828 -8.208 1.00 0.42 H new ATOM 0 HA THR A 27 8.403 0.986 -11.057 1.00 0.50 H new ATOM 0 HB THR A 27 9.449 2.721 -8.834 1.00 0.57 H new ATOM 0 HG1 THR A 27 9.234 4.305 -10.544 1.00 0.67 H new ATOM 0 HG21 THR A 27 11.367 3.263 -10.269 1.00 0.70 H new ATOM 0 HG22 THR A 27 11.375 1.557 -9.760 1.00 0.70 H new ATOM 0 HG23 THR A 27 10.867 1.992 -11.410 1.00 0.70 H new ATOM 428 N ARG A 28 10.260 -0.721 -10.352 1.00 0.64 N ATOM 429 CA ARG A 28 11.047 -1.746 -9.748 1.00 0.71 C ATOM 430 C ARG A 28 12.298 -1.094 -9.225 1.00 0.65 C ATOM 431 O ARG A 28 13.146 -0.580 -9.956 1.00 0.72 O ATOM 432 CB ARG A 28 11.344 -2.915 -10.693 1.00 0.91 C ATOM 433 CG ARG A 28 11.780 -2.519 -12.088 1.00 1.56 C ATOM 434 CD ARG A 28 12.024 -3.749 -12.946 1.00 1.84 C ATOM 435 NE ARG A 28 12.048 -3.429 -14.369 1.00 2.32 N ATOM 436 CZ ARG A 28 12.026 -4.342 -15.338 1.00 2.92 C ATOM 437 NH1 ARG A 28 12.072 -5.637 -15.045 1.00 3.18 N ATOM 438 NH2 ARG A 28 11.975 -3.956 -16.605 1.00 3.76 N ATOM 0 H ARG A 28 10.336 -0.599 -11.362 1.00 0.64 H new ATOM 0 HA ARG A 28 10.489 -2.204 -8.932 1.00 0.71 H new ATOM 0 HB2 ARG A 28 12.123 -3.533 -10.247 1.00 0.91 H new ATOM 0 HB3 ARG A 28 10.451 -3.535 -10.771 1.00 0.91 H new ATOM 0 HG2 ARG A 28 11.015 -1.894 -12.549 1.00 1.56 H new ATOM 0 HG3 ARG A 28 12.690 -1.921 -12.034 1.00 1.56 H new ATOM 0 HD2 ARG A 28 12.972 -4.207 -12.662 1.00 1.84 H new ATOM 0 HD3 ARG A 28 11.244 -4.485 -12.754 1.00 1.84 H new ATOM 0 HE ARG A 28 12.084 -2.446 -14.638 1.00 2.32 H new ATOM 0 HH11 ARG A 28 12.125 -5.938 -14.072 1.00 3.18 H new ATOM 0 HH12 ARG A 28 12.055 -6.330 -15.793 1.00 3.18 H new ATOM 0 HH21 ARG A 28 11.953 -2.963 -16.835 1.00 3.76 H new ATOM 0 HH22 ARG A 28 11.958 -4.652 -17.350 1.00 3.76 H new ATOM 452 N ASP A 29 12.344 -1.126 -7.922 1.00 0.68 N ATOM 453 CA ASP A 29 13.332 -0.485 -7.132 1.00 0.69 C ATOM 454 C ASP A 29 14.144 -1.528 -6.402 1.00 0.81 C ATOM 455 O ASP A 29 13.778 -2.697 -6.308 1.00 1.48 O ATOM 456 CB ASP A 29 12.672 0.489 -6.150 1.00 1.04 C ATOM 457 CG ASP A 29 13.644 1.508 -5.587 1.00 1.58 C ATOM 458 OD1 ASP A 29 14.794 1.564 -6.065 1.00 1.84 O ATOM 459 OD2 ASP A 29 13.261 2.262 -4.671 1.00 2.20 O ATOM 0 H ASP A 29 11.654 -1.628 -7.364 1.00 0.68 H new ATOM 0 HA ASP A 29 14.000 0.089 -7.774 1.00 0.69 H new ATOM 0 HB2 ASP A 29 11.859 1.010 -6.655 1.00 1.04 H new ATOM 0 HB3 ASP A 29 12.229 -0.075 -5.329 1.00 1.04 H new ATOM 464 N ARG A 30 15.202 -1.052 -5.849 1.00 0.62 N ATOM 465 CA ARG A 30 16.337 -1.824 -5.420 1.00 0.91 C ATOM 466 C ARG A 30 16.116 -2.454 -4.043 1.00 1.03 C ATOM 467 O ARG A 30 17.045 -2.999 -3.446 1.00 1.18 O ATOM 468 CB ARG A 30 17.434 -0.782 -5.330 1.00 1.63 C ATOM 469 CG ARG A 30 18.766 -1.244 -4.753 1.00 2.20 C ATOM 470 CD ARG A 30 19.661 -0.066 -4.414 1.00 2.58 C ATOM 471 NE ARG A 30 21.001 -0.491 -4.006 1.00 3.27 N ATOM 472 CZ ARG A 30 21.376 -0.694 -2.740 1.00 3.80 C ATOM 473 NH1 ARG A 30 20.510 -0.536 -1.746 1.00 3.96 N ATOM 474 NH2 ARG A 30 22.625 -1.053 -2.465 1.00 4.57 N ATOM 0 H ARG A 30 15.315 -0.055 -5.669 1.00 0.62 H new ATOM 0 HA ARG A 30 16.551 -2.653 -6.094 1.00 0.91 H new ATOM 0 HB2 ARG A 30 17.614 -0.389 -6.331 1.00 1.63 H new ATOM 0 HB3 ARG A 30 17.068 0.046 -4.723 1.00 1.63 H new ATOM 0 HG2 ARG A 30 18.589 -1.838 -3.857 1.00 2.20 H new ATOM 0 HG3 ARG A 30 19.270 -1.891 -5.471 1.00 2.20 H new ATOM 0 HD2 ARG A 30 19.738 0.591 -5.280 1.00 2.58 H new ATOM 0 HD3 ARG A 30 19.206 0.515 -3.612 1.00 2.58 H new ATOM 0 HE ARG A 30 21.695 -0.642 -4.738 1.00 3.27 H new ATOM 0 HH11 ARG A 30 19.549 -0.257 -1.946 1.00 3.96 H new ATOM 0 HH12 ARG A 30 20.805 -0.693 -0.782 1.00 3.96 H new ATOM 0 HH21 ARG A 30 23.299 -1.174 -3.221 1.00 4.57 H new ATOM 0 HH22 ARG A 30 22.910 -1.208 -1.498 1.00 4.57 H new ATOM 488 N SER A 31 14.873 -2.425 -3.566 1.00 1.72 N ATOM 489 CA SER A 31 14.619 -2.573 -2.142 1.00 2.60 C ATOM 490 C SER A 31 15.376 -1.433 -1.474 1.00 2.41 C ATOM 491 O SER A 31 16.024 -1.584 -0.439 1.00 2.90 O ATOM 492 CB SER A 31 15.071 -3.951 -1.627 1.00 3.49 C ATOM 493 OG SER A 31 14.773 -4.120 -0.251 1.00 4.00 O ATOM 0 H SER A 31 14.038 -2.302 -4.139 1.00 1.72 H new ATOM 0 HA SER A 31 13.554 -2.523 -1.915 1.00 2.60 H new ATOM 0 HB2 SER A 31 14.580 -4.734 -2.205 1.00 3.49 H new ATOM 0 HB3 SER A 31 16.144 -4.064 -1.784 1.00 3.49 H new ATOM 0 HG SER A 31 15.072 -5.006 0.042 1.00 4.00 H new ATOM 499 N ASP A 32 15.253 -0.281 -2.124 1.00 1.76 N ATOM 500 CA ASP A 32 16.067 0.876 -1.889 1.00 1.59 C ATOM 501 C ASP A 32 15.533 1.635 -0.704 1.00 1.18 C ATOM 502 O ASP A 32 14.587 1.213 -0.039 1.00 1.25 O ATOM 503 CB ASP A 32 16.025 1.738 -3.166 1.00 1.59 C ATOM 504 CG ASP A 32 16.954 2.936 -3.162 1.00 1.92 C ATOM 505 OD1 ASP A 32 18.152 2.765 -3.483 1.00 2.08 O ATOM 506 OD2 ASP A 32 16.501 4.039 -2.819 1.00 2.37 O ATOM 0 H ASP A 32 14.554 -0.136 -2.853 1.00 1.76 H new ATOM 0 HA ASP A 32 17.097 0.598 -1.667 1.00 1.59 H new ATOM 0 HB2 ASP A 32 16.273 1.108 -4.020 1.00 1.59 H new ATOM 0 HB3 ASP A 32 15.004 2.090 -3.315 1.00 1.59 H new ATOM 511 N GLN A 33 16.109 2.772 -0.475 1.00 1.02 N ATOM 512 CA GLN A 33 15.815 3.549 0.681 1.00 0.76 C ATOM 513 C GLN A 33 14.793 4.620 0.349 1.00 0.55 C ATOM 514 O GLN A 33 14.765 5.689 0.953 1.00 0.72 O ATOM 515 CB GLN A 33 17.126 4.094 1.195 1.00 1.03 C ATOM 516 CG GLN A 33 17.803 5.091 0.266 1.00 1.73 C ATOM 517 CD GLN A 33 19.242 5.357 0.661 1.00 2.18 C ATOM 518 OE1 GLN A 33 19.922 4.486 1.206 1.00 2.42 O ATOM 519 NE2 GLN A 33 19.720 6.556 0.381 1.00 2.92 N ATOM 0 H GLN A 33 16.804 3.190 -1.094 1.00 1.02 H new ATOM 0 HA GLN A 33 15.356 2.953 1.470 1.00 0.76 H new ATOM 0 HB2 GLN A 33 16.953 4.574 2.158 1.00 1.03 H new ATOM 0 HB3 GLN A 33 17.807 3.261 1.372 1.00 1.03 H new ATOM 0 HG2 GLN A 33 17.773 4.712 -0.755 1.00 1.73 H new ATOM 0 HG3 GLN A 33 17.247 6.028 0.274 1.00 1.73 H new ATOM 0 HE21 GLN A 33 19.124 7.250 -0.071 1.00 2.92 H new ATOM 0 HE22 GLN A 33 20.685 6.788 0.617 1.00 2.92 H new ATOM 528 N HIS A 34 13.968 4.312 -0.647 1.00 0.44 N ATOM 529 CA HIS A 34 12.793 5.090 -0.967 1.00 0.36 C ATOM 530 C HIS A 34 11.592 4.153 -1.065 1.00 0.32 C ATOM 531 O HIS A 34 10.456 4.602 -1.163 1.00 0.37 O ATOM 532 CB HIS A 34 12.978 5.834 -2.297 1.00 0.57 C ATOM 533 CG HIS A 34 14.102 6.825 -2.295 1.00 0.85 C ATOM 534 ND1 HIS A 34 15.399 6.501 -2.633 1.00 1.54 N ATOM 535 CD2 HIS A 34 14.113 8.148 -2.005 1.00 1.29 C ATOM 536 CE1 HIS A 34 16.156 7.579 -2.551 1.00 1.61 C ATOM 537 NE2 HIS A 34 15.400 8.593 -2.173 1.00 1.34 N ATOM 0 H HIS A 34 14.105 3.505 -1.256 1.00 0.44 H new ATOM 0 HA HIS A 34 12.631 5.829 -0.182 1.00 0.36 H new ATOM 0 HB2 HIS A 34 13.153 5.104 -3.087 1.00 0.57 H new ATOM 0 HB3 HIS A 34 12.051 6.353 -2.542 1.00 0.57 H new ATOM 0 HD1 HIS A 34 15.723 5.573 -2.904 1.00 1.54 H new ATOM 0 HD2 HIS A 34 13.265 8.743 -1.698 1.00 1.29 H new ATOM 0 HE1 HIS A 34 17.215 7.624 -2.758 1.00 1.61 H new ATOM 546 N ILE A 35 11.864 2.841 -1.054 1.00 0.38 N ATOM 547 CA ILE A 35 10.820 1.837 -1.225 1.00 0.45 C ATOM 548 C ILE A 35 10.173 1.417 0.108 1.00 0.46 C ATOM 549 O ILE A 35 9.369 0.481 0.153 1.00 0.63 O ATOM 550 CB ILE A 35 11.420 0.601 -1.942 1.00 0.63 C ATOM 551 CG1 ILE A 35 10.396 0.009 -2.889 1.00 1.16 C ATOM 552 CG2 ILE A 35 11.922 -0.448 -0.955 1.00 1.51 C ATOM 553 CD1 ILE A 35 9.996 0.982 -3.969 1.00 2.04 C ATOM 0 H ILE A 35 12.800 2.456 -0.928 1.00 0.38 H new ATOM 0 HA ILE A 35 10.028 2.280 -1.828 1.00 0.45 H new ATOM 0 HB ILE A 35 12.286 0.933 -2.514 1.00 0.63 H new ATOM 0 HG12 ILE A 35 10.804 -0.893 -3.346 1.00 1.16 H new ATOM 0 HG13 ILE A 35 9.512 -0.291 -2.326 1.00 1.16 H new ATOM 0 HG21 ILE A 35 12.334 -1.296 -1.503 1.00 1.51 H new ATOM 0 HG22 ILE A 35 12.697 -0.013 -0.324 1.00 1.51 H new ATOM 0 HG23 ILE A 35 11.094 -0.786 -0.332 1.00 1.51 H new ATOM 0 HD11 ILE A 35 9.261 0.516 -4.625 1.00 2.04 H new ATOM 0 HD12 ILE A 35 9.563 1.873 -3.514 1.00 2.04 H new ATOM 0 HD13 ILE A 35 10.875 1.262 -4.550 1.00 2.04 H new ATOM 565 N GLN A 36 10.489 2.131 1.180 1.00 0.38 N ATOM 566 CA GLN A 36 10.224 1.619 2.524 1.00 0.37 C ATOM 567 C GLN A 36 9.024 2.265 3.223 1.00 0.35 C ATOM 568 O GLN A 36 9.124 3.345 3.825 1.00 0.35 O ATOM 569 CB GLN A 36 11.467 1.828 3.375 1.00 0.43 C ATOM 570 CG GLN A 36 12.007 3.243 3.298 1.00 0.52 C ATOM 571 CD GLN A 36 13.292 3.413 4.066 1.00 0.71 C ATOM 572 OE1 GLN A 36 14.399 3.103 3.411 1.00 1.17 O flip ATOM 573 NE2 GLN A 36 13.289 3.793 5.236 1.00 1.29 N flip ATOM 0 H GLN A 36 10.923 3.054 1.151 1.00 0.38 H new ATOM 0 HA GLN A 36 9.974 0.564 2.412 1.00 0.37 H new ATOM 0 HB2 GLN A 36 11.234 1.590 4.413 1.00 0.43 H new ATOM 0 HB3 GLN A 36 12.242 1.131 3.054 1.00 0.43 H new ATOM 0 HG2 GLN A 36 12.174 3.508 2.254 1.00 0.52 H new ATOM 0 HG3 GLN A 36 11.260 3.935 3.688 1.00 0.52 H new ATOM 0 HE21 GLN A 36 12.407 4.020 5.696 1.00 1.29 H new ATOM 0 HE22 GLN A 36 14.168 3.881 5.746 1.00 1.29 H new ATOM 582 N LEU A 37 7.913 1.551 3.224 1.00 0.36 N ATOM 583 CA LEU A 37 6.764 1.945 4.017 1.00 0.35 C ATOM 584 C LEU A 37 6.512 0.925 5.103 1.00 0.37 C ATOM 585 O LEU A 37 6.593 -0.276 4.887 1.00 0.48 O ATOM 586 CB LEU A 37 5.501 2.141 3.175 1.00 0.38 C ATOM 587 CG LEU A 37 5.252 1.120 2.053 1.00 0.45 C ATOM 588 CD1 LEU A 37 3.775 1.080 1.696 1.00 0.94 C ATOM 589 CD2 LEU A 37 6.066 1.462 0.812 1.00 0.94 C ATOM 0 H LEU A 37 7.782 0.695 2.684 1.00 0.36 H new ATOM 0 HA LEU A 37 7.000 2.911 4.463 1.00 0.35 H new ATOM 0 HB2 LEU A 37 4.641 2.127 3.844 1.00 0.38 H new ATOM 0 HB3 LEU A 37 5.541 3.134 2.728 1.00 0.38 H new ATOM 0 HG LEU A 37 5.564 0.141 2.416 1.00 0.45 H new ATOM 0 HD11 LEU A 37 3.613 0.353 0.900 1.00 0.94 H new ATOM 0 HD12 LEU A 37 3.196 0.793 2.574 1.00 0.94 H new ATOM 0 HD13 LEU A 37 3.456 2.066 1.358 1.00 0.94 H new ATOM 0 HD21 LEU A 37 5.871 0.724 0.034 1.00 0.94 H new ATOM 0 HD22 LEU A 37 5.783 2.451 0.453 1.00 0.94 H new ATOM 0 HD23 LEU A 37 7.127 1.456 1.060 1.00 0.94 H new ATOM 601 N GLN A 38 6.179 1.402 6.266 1.00 0.34 N ATOM 602 CA GLN A 38 6.057 0.538 7.415 1.00 0.39 C ATOM 603 C GLN A 38 4.598 0.110 7.535 1.00 0.40 C ATOM 604 O GLN A 38 3.730 0.910 7.880 1.00 0.41 O ATOM 605 CB GLN A 38 6.554 1.291 8.654 1.00 0.45 C ATOM 606 CG GLN A 38 7.056 0.413 9.795 1.00 0.93 C ATOM 607 CD GLN A 38 6.000 -0.514 10.363 1.00 1.37 C ATOM 608 OE1 GLN A 38 5.213 -0.127 11.225 1.00 2.05 O ATOM 609 NE2 GLN A 38 6.010 -1.762 9.923 1.00 2.12 N ATOM 0 H GLN A 38 5.985 2.386 6.450 1.00 0.34 H new ATOM 0 HA GLN A 38 6.665 -0.361 7.314 1.00 0.39 H new ATOM 0 HB2 GLN A 38 7.359 1.961 8.352 1.00 0.45 H new ATOM 0 HB3 GLN A 38 5.743 1.916 9.028 1.00 0.45 H new ATOM 0 HG2 GLN A 38 7.896 -0.183 9.440 1.00 0.93 H new ATOM 0 HG3 GLN A 38 7.433 1.052 10.594 1.00 0.93 H new ATOM 0 HE21 GLN A 38 6.679 -2.045 9.207 1.00 2.12 H new ATOM 0 HE22 GLN A 38 5.349 -2.441 10.300 1.00 2.12 H new ATOM 618 N LEU A 39 4.335 -1.149 7.220 1.00 0.43 N ATOM 619 CA LEU A 39 2.971 -1.655 7.167 1.00 0.46 C ATOM 620 C LEU A 39 2.709 -2.628 8.306 1.00 0.55 C ATOM 621 O LEU A 39 3.053 -3.807 8.218 1.00 0.77 O ATOM 622 CB LEU A 39 2.715 -2.349 5.826 1.00 0.61 C ATOM 623 CG LEU A 39 1.535 -1.799 5.022 1.00 1.05 C ATOM 624 CD1 LEU A 39 1.316 -2.618 3.762 1.00 1.75 C ATOM 625 CD2 LEU A 39 0.271 -1.773 5.868 1.00 1.45 C ATOM 0 H LEU A 39 5.050 -1.841 6.997 1.00 0.43 H new ATOM 0 HA LEU A 39 2.292 -0.808 7.270 1.00 0.46 H new ATOM 0 HB2 LEU A 39 3.616 -2.272 5.217 1.00 0.61 H new ATOM 0 HB3 LEU A 39 2.545 -3.410 6.011 1.00 0.61 H new ATOM 0 HG LEU A 39 1.772 -0.776 4.730 1.00 1.05 H new ATOM 0 HD11 LEU A 39 0.472 -2.210 3.205 1.00 1.75 H new ATOM 0 HD12 LEU A 39 2.212 -2.580 3.143 1.00 1.75 H new ATOM 0 HD13 LEU A 39 1.106 -3.653 4.033 1.00 1.75 H new ATOM 0 HD21 LEU A 39 -0.555 -1.378 5.276 1.00 1.45 H new ATOM 0 HD22 LEU A 39 0.032 -2.785 6.196 1.00 1.45 H new ATOM 0 HD23 LEU A 39 0.429 -1.137 6.739 1.00 1.45 H new ATOM 637 N SER A 40 2.121 -2.131 9.378 1.00 0.46 N ATOM 638 CA SER A 40 1.792 -2.972 10.516 1.00 0.56 C ATOM 639 C SER A 40 0.285 -3.136 10.653 1.00 0.42 C ATOM 640 O SER A 40 -0.486 -2.370 10.076 1.00 0.37 O ATOM 641 CB SER A 40 2.373 -2.377 11.798 1.00 0.71 C ATOM 642 OG SER A 40 3.788 -2.314 11.736 1.00 1.38 O ATOM 0 H SER A 40 1.861 -1.151 9.486 1.00 0.46 H new ATOM 0 HA SER A 40 2.230 -3.956 10.349 1.00 0.56 H new ATOM 0 HB2 SER A 40 1.968 -1.377 11.955 1.00 0.71 H new ATOM 0 HB3 SER A 40 2.070 -2.981 12.653 1.00 0.71 H new ATOM 0 HG SER A 40 4.077 -1.380 11.803 1.00 1.38 H new ATOM 648 N ALA A 41 -0.123 -4.121 11.435 1.00 0.56 N ATOM 649 CA ALA A 41 -1.518 -4.283 11.796 1.00 0.56 C ATOM 650 C ALA A 41 -1.641 -4.062 13.291 1.00 0.64 C ATOM 651 O ALA A 41 -1.328 -4.947 14.089 1.00 0.84 O ATOM 652 CB ALA A 41 -2.021 -5.666 11.404 1.00 0.89 C ATOM 0 H ALA A 41 0.499 -4.825 11.834 1.00 0.56 H new ATOM 0 HA ALA A 41 -2.132 -3.558 11.261 1.00 0.56 H new ATOM 0 HB1 ALA A 41 -3.070 -5.765 11.684 1.00 0.89 H new ATOM 0 HB2 ALA A 41 -1.919 -5.798 10.327 1.00 0.89 H new ATOM 0 HB3 ALA A 41 -1.434 -6.426 11.920 1.00 0.89 H new ATOM 658 N GLU A 42 -2.061 -2.864 13.661 1.00 0.92 N ATOM 659 CA GLU A 42 -1.970 -2.426 15.046 1.00 1.34 C ATOM 660 C GLU A 42 -3.318 -2.508 15.765 1.00 1.34 C ATOM 661 O GLU A 42 -3.366 -2.608 16.994 1.00 1.64 O ATOM 662 CB GLU A 42 -1.366 -1.016 15.100 1.00 1.88 C ATOM 663 CG GLU A 42 0.044 -0.976 14.511 1.00 2.46 C ATOM 664 CD GLU A 42 0.745 0.362 14.658 1.00 2.62 C ATOM 665 OE1 GLU A 42 1.228 0.669 15.770 1.00 2.70 O ATOM 666 OE2 GLU A 42 0.845 1.103 13.659 1.00 3.12 O ATOM 0 H GLU A 42 -2.467 -2.178 13.025 1.00 0.92 H new ATOM 0 HA GLU A 42 -1.308 -3.105 15.583 1.00 1.34 H new ATOM 0 HB2 GLU A 42 -2.008 -0.325 14.553 1.00 1.88 H new ATOM 0 HB3 GLU A 42 -1.337 -0.673 16.134 1.00 1.88 H new ATOM 0 HG2 GLU A 42 0.648 -1.744 14.993 1.00 2.46 H new ATOM 0 HG3 GLU A 42 -0.010 -1.230 13.452 1.00 2.46 H new ATOM 673 N SER A 43 -4.408 -2.466 15.010 1.00 1.09 N ATOM 674 CA SER A 43 -5.716 -2.785 15.560 1.00 1.14 C ATOM 675 C SER A 43 -6.180 -4.102 14.971 1.00 1.00 C ATOM 676 O SER A 43 -5.625 -4.559 13.968 1.00 1.09 O ATOM 677 CB SER A 43 -6.728 -1.685 15.244 1.00 1.24 C ATOM 678 OG SER A 43 -6.210 -0.401 15.556 1.00 1.59 O ATOM 0 H SER A 43 -4.412 -2.216 14.021 1.00 1.09 H new ATOM 0 HA SER A 43 -5.639 -2.863 16.644 1.00 1.14 H new ATOM 0 HB2 SER A 43 -6.994 -1.725 14.188 1.00 1.24 H new ATOM 0 HB3 SER A 43 -7.644 -1.857 15.810 1.00 1.24 H new ATOM 0 HG SER A 43 -6.494 0.241 14.872 1.00 1.59 H new ATOM 684 N VAL A 44 -7.175 -4.720 15.581 1.00 0.92 N ATOM 685 CA VAL A 44 -7.700 -5.964 15.054 1.00 0.91 C ATOM 686 C VAL A 44 -8.268 -5.740 13.653 1.00 0.77 C ATOM 687 O VAL A 44 -9.186 -4.945 13.457 1.00 0.79 O ATOM 688 CB VAL A 44 -8.779 -6.572 15.986 1.00 1.07 C ATOM 689 CG1 VAL A 44 -9.919 -5.590 16.237 1.00 1.85 C ATOM 690 CG2 VAL A 44 -9.306 -7.877 15.411 1.00 1.83 C ATOM 0 H VAL A 44 -7.630 -4.386 16.430 1.00 0.92 H new ATOM 0 HA VAL A 44 -6.878 -6.678 14.998 1.00 0.91 H new ATOM 0 HB VAL A 44 -8.310 -6.782 16.947 1.00 1.07 H new ATOM 0 HG11 VAL A 44 -10.657 -6.050 16.894 1.00 1.85 H new ATOM 0 HG12 VAL A 44 -9.526 -4.689 16.707 1.00 1.85 H new ATOM 0 HG13 VAL A 44 -10.390 -5.329 15.289 1.00 1.85 H new ATOM 0 HG21 VAL A 44 -10.063 -8.290 16.079 1.00 1.83 H new ATOM 0 HG22 VAL A 44 -9.748 -7.691 14.432 1.00 1.83 H new ATOM 0 HG23 VAL A 44 -8.486 -8.587 15.309 1.00 1.83 H new ATOM 700 N GLY A 45 -7.665 -6.391 12.674 1.00 0.73 N ATOM 701 CA GLY A 45 -8.188 -6.355 11.327 1.00 0.67 C ATOM 702 C GLY A 45 -7.864 -5.059 10.621 1.00 0.54 C ATOM 703 O GLY A 45 -8.208 -4.881 9.458 1.00 0.56 O ATOM 0 H GLY A 45 -6.818 -6.947 12.789 1.00 0.73 H new ATOM 0 HA2 GLY A 45 -7.777 -7.189 10.758 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -9.269 -6.490 11.356 1.00 0.67 H new ATOM 707 N GLU A 46 -7.214 -4.145 11.322 1.00 0.56 N ATOM 708 CA GLU A 46 -6.858 -2.881 10.751 1.00 0.50 C ATOM 709 C GLU A 46 -5.353 -2.756 10.589 1.00 0.40 C ATOM 710 O GLU A 46 -4.573 -3.219 11.417 1.00 0.48 O ATOM 711 CB GLU A 46 -7.453 -1.760 11.594 1.00 0.75 C ATOM 712 CG GLU A 46 -6.618 -0.510 11.641 1.00 1.02 C ATOM 713 CD GLU A 46 -7.360 0.652 12.267 1.00 1.35 C ATOM 714 OE1 GLU A 46 -8.300 1.175 11.625 1.00 1.80 O ATOM 715 OE2 GLU A 46 -7.025 1.033 13.409 1.00 1.67 O ATOM 0 H GLU A 46 -6.926 -4.267 12.293 1.00 0.56 H new ATOM 0 HA GLU A 46 -7.276 -2.804 9.747 1.00 0.50 H new ATOM 0 HB2 GLU A 46 -8.438 -1.510 11.201 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.598 -2.124 12.611 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -5.708 -0.705 12.208 1.00 1.02 H new ATOM 0 HG3 GLU A 46 -6.313 -0.241 10.630 1.00 1.02 H new ATOM 722 N VAL A 47 -4.966 -2.160 9.485 1.00 0.33 N ATOM 723 CA VAL A 47 -3.568 -1.987 9.147 1.00 0.33 C ATOM 724 C VAL A 47 -3.230 -0.523 9.012 1.00 0.33 C ATOM 725 O VAL A 47 -4.040 0.281 8.540 1.00 0.36 O ATOM 726 CB VAL A 47 -3.155 -2.716 7.861 1.00 0.40 C ATOM 727 CG1 VAL A 47 -3.245 -4.223 8.046 1.00 0.46 C ATOM 728 CG2 VAL A 47 -4.004 -2.262 6.684 1.00 0.48 C ATOM 0 H VAL A 47 -5.612 -1.780 8.793 1.00 0.33 H new ATOM 0 HA VAL A 47 -3.009 -2.433 9.970 1.00 0.33 H new ATOM 0 HB VAL A 47 -2.118 -2.462 7.644 1.00 0.40 H new ATOM 0 HG11 VAL A 47 -2.948 -4.721 7.123 1.00 0.46 H new ATOM 0 HG12 VAL A 47 -2.581 -4.531 8.854 1.00 0.46 H new ATOM 0 HG13 VAL A 47 -4.270 -4.499 8.294 1.00 0.46 H new ATOM 0 HG21 VAL A 47 -3.692 -2.793 5.784 1.00 0.48 H new ATOM 0 HG22 VAL A 47 -5.053 -2.478 6.887 1.00 0.48 H new ATOM 0 HG23 VAL A 47 -3.876 -1.190 6.535 1.00 0.48 H new ATOM 738 N TYR A 48 -2.041 -0.173 9.435 1.00 0.34 N ATOM 739 CA TYR A 48 -1.619 1.200 9.375 1.00 0.36 C ATOM 740 C TYR A 48 -0.424 1.311 8.456 1.00 0.38 C ATOM 741 O TYR A 48 0.606 0.657 8.650 1.00 0.39 O ATOM 742 CB TYR A 48 -1.283 1.715 10.780 1.00 0.41 C ATOM 743 CG TYR A 48 -0.821 3.159 10.831 1.00 0.55 C ATOM 744 CD1 TYR A 48 -1.377 4.104 9.982 1.00 0.91 C ATOM 745 CD2 TYR A 48 0.165 3.576 11.717 1.00 1.47 C ATOM 746 CE1 TYR A 48 -0.965 5.421 10.011 1.00 1.00 C ATOM 747 CE2 TYR A 48 0.582 4.893 11.753 1.00 1.79 C ATOM 748 CZ TYR A 48 0.042 5.800 10.955 1.00 1.23 C ATOM 749 OH TYR A 48 0.424 7.123 10.921 1.00 1.60 O ATOM 0 H TYR A 48 -1.352 -0.818 9.823 1.00 0.34 H new ATOM 0 HA TYR A 48 -2.427 1.816 8.980 1.00 0.36 H new ATOM 0 HB2 TYR A 48 -2.164 1.607 11.412 1.00 0.41 H new ATOM 0 HB3 TYR A 48 -0.504 1.083 11.207 1.00 0.41 H new ATOM 0 HD1 TYR A 48 -2.146 3.804 9.286 1.00 0.91 H new ATOM 0 HD2 TYR A 48 0.613 2.859 12.389 1.00 1.47 H new ATOM 0 HE1 TYR A 48 -1.392 6.149 9.337 1.00 1.00 H new ATOM 0 HE2 TYR A 48 1.360 5.186 12.442 1.00 1.79 H new ATOM 0 HH TYR A 48 -0.193 7.656 11.464 1.00 1.60 H new ATOM 759 N ILE A 49 -0.587 2.145 7.451 1.00 0.42 N ATOM 760 CA ILE A 49 0.455 2.409 6.495 1.00 0.44 C ATOM 761 C ILE A 49 1.163 3.667 6.919 1.00 0.42 C ATOM 762 O ILE A 49 0.546 4.712 7.032 1.00 0.52 O ATOM 763 CB ILE A 49 -0.114 2.592 5.069 1.00 0.52 C ATOM 764 CG1 ILE A 49 -0.781 1.298 4.595 1.00 0.62 C ATOM 765 CG2 ILE A 49 0.984 3.021 4.099 1.00 0.58 C ATOM 766 CD1 ILE A 49 -1.332 1.373 3.187 1.00 1.20 C ATOM 0 H ILE A 49 -1.451 2.658 7.278 1.00 0.42 H new ATOM 0 HA ILE A 49 1.139 1.561 6.468 1.00 0.44 H new ATOM 0 HB ILE A 49 -0.866 3.380 5.095 1.00 0.52 H new ATOM 0 HG12 ILE A 49 -0.056 0.486 4.648 1.00 0.62 H new ATOM 0 HG13 ILE A 49 -1.592 1.047 5.279 1.00 0.62 H new ATOM 0 HG21 ILE A 49 0.561 3.144 3.102 1.00 0.58 H new ATOM 0 HG22 ILE A 49 1.413 3.967 4.430 1.00 0.58 H new ATOM 0 HG23 ILE A 49 1.763 2.259 4.071 1.00 0.58 H new ATOM 0 HD11 ILE A 49 -1.788 0.419 2.924 1.00 1.20 H new ATOM 0 HD12 ILE A 49 -2.082 2.162 3.131 1.00 1.20 H new ATOM 0 HD13 ILE A 49 -0.523 1.592 2.491 1.00 1.20 H new ATOM 778 N LYS A 50 2.421 3.543 7.261 1.00 0.36 N ATOM 779 CA LYS A 50 3.203 4.697 7.640 1.00 0.37 C ATOM 780 C LYS A 50 4.467 4.773 6.803 1.00 0.35 C ATOM 781 O LYS A 50 4.967 3.758 6.338 1.00 0.36 O ATOM 782 CB LYS A 50 3.524 4.669 9.141 1.00 0.44 C ATOM 783 CG LYS A 50 4.389 3.500 9.566 1.00 0.93 C ATOM 784 CD LYS A 50 3.723 2.636 10.629 1.00 0.88 C ATOM 785 CE LYS A 50 3.664 3.330 11.979 1.00 1.35 C ATOM 786 NZ LYS A 50 3.211 2.408 13.055 1.00 1.86 N ATOM 0 H LYS A 50 2.926 2.657 7.285 1.00 0.36 H new ATOM 0 HA LYS A 50 2.617 5.596 7.448 1.00 0.37 H new ATOM 0 HB2 LYS A 50 4.028 5.597 9.411 1.00 0.44 H new ATOM 0 HB3 LYS A 50 2.589 4.638 9.701 1.00 0.44 H new ATOM 0 HG2 LYS A 50 4.618 2.886 8.695 1.00 0.93 H new ATOM 0 HG3 LYS A 50 5.338 3.875 9.950 1.00 0.93 H new ATOM 0 HD2 LYS A 50 2.713 2.383 10.308 1.00 0.88 H new ATOM 0 HD3 LYS A 50 4.270 1.699 10.728 1.00 0.88 H new ATOM 0 HE2 LYS A 50 4.649 3.724 12.229 1.00 1.35 H new ATOM 0 HE3 LYS A 50 2.986 4.181 11.921 1.00 1.35 H new ATOM 0 HZ1 LYS A 50 3.135 2.931 13.951 1.00 1.86 H new ATOM 0 HZ2 LYS A 50 2.282 2.012 12.805 1.00 1.86 H new ATOM 0 HZ3 LYS A 50 3.899 1.635 13.163 1.00 1.86 H new ATOM 800 N SER A 51 4.968 5.969 6.596 1.00 0.40 N ATOM 801 CA SER A 51 6.266 6.139 6.038 1.00 0.39 C ATOM 802 C SER A 51 7.279 5.946 7.128 1.00 0.39 C ATOM 803 O SER A 51 7.078 6.358 8.271 1.00 0.48 O ATOM 804 CB SER A 51 6.372 7.568 5.500 1.00 0.48 C ATOM 805 OG SER A 51 6.218 8.527 6.534 1.00 1.10 O ATOM 0 H SER A 51 4.481 6.839 6.812 1.00 0.40 H new ATOM 0 HA SER A 51 6.441 5.422 5.236 1.00 0.39 H new ATOM 0 HB2 SER A 51 7.339 7.705 5.017 1.00 0.48 H new ATOM 0 HB3 SER A 51 5.610 7.728 4.738 1.00 0.48 H new ATOM 0 HG SER A 51 6.573 9.390 6.235 1.00 1.10 H new ATOM 811 N THR A 52 8.348 5.271 6.779 1.00 0.35 N ATOM 812 CA THR A 52 9.477 5.244 7.636 1.00 0.41 C ATOM 813 C THR A 52 10.148 6.581 7.434 1.00 0.45 C ATOM 814 O THR A 52 9.690 7.585 7.978 1.00 0.53 O ATOM 815 CB THR A 52 10.413 4.066 7.302 1.00 0.43 C ATOM 816 OG1 THR A 52 9.671 2.846 7.364 1.00 0.62 O ATOM 817 CG2 THR A 52 11.577 3.990 8.271 1.00 0.77 C ATOM 0 H THR A 52 8.446 4.742 5.913 1.00 0.35 H new ATOM 0 HA THR A 52 9.198 5.091 8.679 1.00 0.41 H new ATOM 0 HB THR A 52 10.813 4.221 6.300 1.00 0.43 H new ATOM 0 HG1 THR A 52 10.154 2.197 7.917 1.00 0.62 H new ATOM 0 HG21 THR A 52 12.217 3.148 8.006 1.00 0.77 H new ATOM 0 HG22 THR A 52 12.153 4.914 8.220 1.00 0.77 H new ATOM 0 HG23 THR A 52 11.199 3.853 9.284 1.00 0.77 H new ATOM 825 N GLU A 53 11.202 6.633 6.684 1.00 0.46 N ATOM 826 CA GLU A 53 11.697 7.931 6.285 1.00 0.53 C ATOM 827 C GLU A 53 11.138 8.326 4.917 1.00 0.44 C ATOM 828 O GLU A 53 10.679 9.447 4.715 1.00 0.47 O ATOM 829 CB GLU A 53 13.224 7.957 6.326 1.00 0.68 C ATOM 830 CG GLU A 53 13.754 7.697 7.730 1.00 1.43 C ATOM 831 CD GLU A 53 15.215 8.048 7.904 1.00 1.83 C ATOM 832 OE1 GLU A 53 15.635 9.116 7.408 1.00 2.55 O ATOM 833 OE2 GLU A 53 15.960 7.233 8.483 1.00 2.11 O ATOM 0 H GLU A 53 11.728 5.829 6.340 1.00 0.46 H new ATOM 0 HA GLU A 53 11.347 8.679 6.996 1.00 0.53 H new ATOM 0 HB2 GLU A 53 13.619 7.205 5.643 1.00 0.68 H new ATOM 0 HB3 GLU A 53 13.581 8.925 5.976 1.00 0.68 H new ATOM 0 HG2 GLU A 53 13.164 8.272 8.444 1.00 1.43 H new ATOM 0 HG3 GLU A 53 13.611 6.644 7.973 1.00 1.43 H new ATOM 840 N THR A 54 11.163 7.379 3.992 1.00 0.36 N ATOM 841 CA THR A 54 10.744 7.611 2.614 1.00 0.30 C ATOM 842 C THR A 54 9.471 6.871 2.180 1.00 0.31 C ATOM 843 O THR A 54 9.284 6.676 0.985 1.00 0.38 O ATOM 844 CB THR A 54 11.880 7.241 1.658 1.00 0.40 C ATOM 845 OG1 THR A 54 12.503 6.036 2.113 1.00 1.13 O ATOM 846 CG2 THR A 54 12.908 8.359 1.574 1.00 0.93 C ATOM 0 H THR A 54 11.475 6.425 4.174 1.00 0.36 H new ATOM 0 HA THR A 54 10.503 8.673 2.569 1.00 0.30 H new ATOM 0 HB THR A 54 11.466 7.090 0.661 1.00 0.40 H new ATOM 0 HG1 THR A 54 13.472 6.099 1.981 1.00 1.13 H new ATOM 0 HG21 THR A 54 13.704 8.070 0.888 1.00 0.93 H new ATOM 0 HG22 THR A 54 12.428 9.268 1.211 1.00 0.93 H new ATOM 0 HG23 THR A 54 13.329 8.541 2.563 1.00 0.93 H new ATOM 854 N GLY A 55 8.604 6.422 3.083 1.00 0.33 N ATOM 855 CA GLY A 55 7.653 5.409 2.635 1.00 0.40 C ATOM 856 C GLY A 55 6.317 5.914 2.118 1.00 0.46 C ATOM 857 O GLY A 55 5.687 5.191 1.354 1.00 0.56 O ATOM 0 H GLY A 55 8.537 6.715 4.058 1.00 0.33 H new ATOM 0 HA2 GLY A 55 8.125 4.824 1.846 1.00 0.40 H new ATOM 0 HA3 GLY A 55 7.462 4.729 3.465 1.00 0.40 H new ATOM 861 N GLN A 56 5.887 7.116 2.537 1.00 0.43 N ATOM 862 CA GLN A 56 4.909 7.951 1.792 1.00 0.54 C ATOM 863 C GLN A 56 4.106 8.862 2.714 1.00 0.56 C ATOM 864 O GLN A 56 3.960 8.583 3.896 1.00 0.63 O ATOM 865 CB GLN A 56 3.913 7.152 0.941 1.00 0.81 C ATOM 866 CG GLN A 56 2.921 6.309 1.728 1.00 0.91 C ATOM 867 CD GLN A 56 1.669 6.031 0.924 1.00 1.20 C ATOM 868 OE1 GLN A 56 1.276 6.999 0.105 1.00 2.18 O flip ATOM 869 NE2 GLN A 56 1.045 4.979 1.052 1.00 1.06 N flip ATOM 0 H GLN A 56 6.205 7.545 3.406 1.00 0.43 H new ATOM 0 HA GLN A 56 5.537 8.539 1.123 1.00 0.54 H new ATOM 0 HB2 GLN A 56 3.357 7.847 0.313 1.00 0.81 H new ATOM 0 HB3 GLN A 56 4.473 6.497 0.273 1.00 0.81 H new ATOM 0 HG2 GLN A 56 3.388 5.366 2.013 1.00 0.91 H new ATOM 0 HG3 GLN A 56 2.655 6.825 2.651 1.00 0.91 H new ATOM 0 HE21 GLN A 56 1.382 4.261 1.693 1.00 1.06 H new ATOM 0 HE22 GLN A 56 0.190 4.825 0.517 1.00 1.06 H new ATOM 878 N TYR A 57 3.563 9.938 2.136 1.00 0.57 N ATOM 879 CA TYR A 57 2.518 10.721 2.789 1.00 0.62 C ATOM 880 C TYR A 57 1.199 10.173 2.358 1.00 0.59 C ATOM 881 O TYR A 57 0.490 10.748 1.553 1.00 0.67 O ATOM 882 CB TYR A 57 2.567 12.242 2.548 1.00 0.76 C ATOM 883 CG TYR A 57 1.452 13.009 3.238 1.00 1.77 C ATOM 884 CD1 TYR A 57 1.249 12.914 4.609 1.00 2.17 C ATOM 885 CD2 TYR A 57 0.603 13.834 2.508 1.00 2.59 C ATOM 886 CE1 TYR A 57 0.236 13.615 5.233 1.00 3.20 C ATOM 887 CE2 TYR A 57 -0.414 14.540 3.126 1.00 3.64 C ATOM 888 CZ TYR A 57 -0.592 14.425 4.488 1.00 3.91 C ATOM 889 OH TYR A 57 -1.601 15.125 5.110 1.00 4.98 O ATOM 0 H TYR A 57 3.833 10.284 1.215 1.00 0.57 H new ATOM 0 HA TYR A 57 2.682 10.621 3.862 1.00 0.62 H new ATOM 0 HB2 TYR A 57 3.527 12.625 2.895 1.00 0.76 H new ATOM 0 HB3 TYR A 57 2.517 12.432 1.476 1.00 0.76 H new ATOM 0 HD1 TYR A 57 1.895 12.280 5.198 1.00 2.17 H new ATOM 0 HD2 TYR A 57 0.740 13.925 1.441 1.00 2.59 H new ATOM 0 HE1 TYR A 57 0.094 13.528 6.300 1.00 3.20 H new ATOM 0 HE2 TYR A 57 -1.064 15.177 2.545 1.00 3.64 H new ATOM 0 HH TYR A 57 -2.093 15.650 4.445 1.00 4.98 H new ATOM 899 N LEU A 58 0.859 9.102 2.991 1.00 0.55 N ATOM 900 CA LEU A 58 -0.280 8.302 2.620 1.00 0.58 C ATOM 901 C LEU A 58 -1.550 9.070 2.884 1.00 0.56 C ATOM 902 O LEU A 58 -2.083 9.129 3.994 1.00 0.72 O ATOM 903 CB LEU A 58 -0.237 7.064 3.481 1.00 0.70 C ATOM 904 CG LEU A 58 0.306 7.376 4.861 1.00 1.32 C ATOM 905 CD1 LEU A 58 -0.716 7.046 5.935 1.00 1.59 C ATOM 906 CD2 LEU A 58 1.616 6.645 5.087 1.00 1.85 C ATOM 0 H LEU A 58 1.369 8.743 3.798 1.00 0.55 H new ATOM 0 HA LEU A 58 -0.255 8.044 1.561 1.00 0.58 H new ATOM 0 HB2 LEU A 58 -1.239 6.643 3.568 1.00 0.70 H new ATOM 0 HB3 LEU A 58 0.386 6.308 3.004 1.00 0.70 H new ATOM 0 HG LEU A 58 0.504 8.446 4.925 1.00 1.32 H new ATOM 0 HD11 LEU A 58 -0.301 7.279 6.916 1.00 1.59 H new ATOM 0 HD12 LEU A 58 -1.618 7.636 5.773 1.00 1.59 H new ATOM 0 HD13 LEU A 58 -0.963 5.985 5.888 1.00 1.59 H new ATOM 0 HD21 LEU A 58 1.996 6.878 6.082 1.00 1.85 H new ATOM 0 HD22 LEU A 58 1.452 5.571 5.003 1.00 1.85 H new ATOM 0 HD23 LEU A 58 2.343 6.961 4.338 1.00 1.85 H new ATOM 918 N ALA A 59 -1.991 9.684 1.819 1.00 0.47 N ATOM 919 CA ALA A 59 -3.110 10.573 1.839 1.00 0.46 C ATOM 920 C ALA A 59 -4.135 10.117 0.819 1.00 0.46 C ATOM 921 O ALA A 59 -3.902 10.203 -0.390 1.00 0.51 O ATOM 922 CB ALA A 59 -2.615 11.984 1.542 1.00 0.54 C ATOM 0 H ALA A 59 -1.570 9.574 0.896 1.00 0.47 H new ATOM 0 HA ALA A 59 -3.589 10.570 2.818 1.00 0.46 H new ATOM 0 HB1 ALA A 59 -3.458 12.675 1.554 1.00 0.54 H new ATOM 0 HB2 ALA A 59 -1.890 12.282 2.300 1.00 0.54 H new ATOM 0 HB3 ALA A 59 -2.142 12.005 0.560 1.00 0.54 H new ATOM 928 N MET A 60 -5.261 9.607 1.295 1.00 0.48 N ATOM 929 CA MET A 60 -6.326 9.216 0.396 1.00 0.52 C ATOM 930 C MET A 60 -7.131 10.456 0.030 1.00 0.55 C ATOM 931 O MET A 60 -7.298 11.356 0.851 1.00 0.74 O ATOM 932 CB MET A 60 -7.229 8.163 1.088 1.00 0.66 C ATOM 933 CG MET A 60 -8.082 8.720 2.224 1.00 1.76 C ATOM 934 SD MET A 60 -9.564 9.582 1.653 1.00 2.80 S ATOM 935 CE MET A 60 -9.596 10.953 2.801 1.00 3.74 C ATOM 0 H MET A 60 -5.456 9.457 2.285 1.00 0.48 H new ATOM 0 HA MET A 60 -5.915 8.772 -0.511 1.00 0.52 H new ATOM 0 HB2 MET A 60 -7.885 7.717 0.341 1.00 0.66 H new ATOM 0 HB3 MET A 60 -6.601 7.363 1.479 1.00 0.66 H new ATOM 0 HG2 MET A 60 -8.377 7.902 2.881 1.00 1.76 H new ATOM 0 HG3 MET A 60 -7.479 9.406 2.819 1.00 1.76 H new ATOM 0 HE1 MET A 60 -10.535 11.497 2.693 1.00 3.74 H new ATOM 0 HE2 MET A 60 -9.511 10.576 3.820 1.00 3.74 H new ATOM 0 HE3 MET A 60 -8.762 11.623 2.591 1.00 3.74 H new ATOM 945 N ASP A 61 -7.555 10.550 -1.217 1.00 0.51 N ATOM 946 CA ASP A 61 -8.479 11.587 -1.607 1.00 0.56 C ATOM 947 C ASP A 61 -9.800 10.961 -1.995 1.00 0.56 C ATOM 948 O ASP A 61 -9.892 10.212 -2.969 1.00 0.64 O ATOM 949 CB ASP A 61 -7.899 12.472 -2.715 1.00 0.71 C ATOM 950 CG ASP A 61 -8.613 12.374 -4.056 1.00 1.02 C ATOM 951 OD1 ASP A 61 -9.665 13.024 -4.228 1.00 1.58 O ATOM 952 OD2 ASP A 61 -8.139 11.628 -4.935 1.00 1.34 O ATOM 0 H ASP A 61 -7.273 9.922 -1.970 1.00 0.51 H new ATOM 0 HA ASP A 61 -8.653 12.250 -0.760 1.00 0.56 H new ATOM 0 HB2 ASP A 61 -7.925 13.509 -2.382 1.00 0.71 H new ATOM 0 HB3 ASP A 61 -6.851 12.209 -2.858 1.00 0.71 H new ATOM 957 N THR A 62 -10.790 11.191 -1.140 1.00 0.65 N ATOM 958 CA THR A 62 -12.123 10.638 -1.260 1.00 0.83 C ATOM 959 C THR A 62 -12.092 9.112 -1.304 1.00 0.87 C ATOM 960 O THR A 62 -13.109 8.469 -1.521 1.00 1.31 O ATOM 961 CB THR A 62 -12.892 11.225 -2.453 1.00 0.97 C ATOM 962 OG1 THR A 62 -12.205 11.003 -3.692 1.00 1.47 O ATOM 963 CG2 THR A 62 -13.126 12.714 -2.258 1.00 1.55 C ATOM 0 H THR A 62 -10.678 11.787 -0.320 1.00 0.65 H new ATOM 0 HA THR A 62 -12.669 10.930 -0.363 1.00 0.83 H new ATOM 0 HB THR A 62 -13.852 10.710 -2.501 1.00 0.97 H new ATOM 0 HG1 THR A 62 -11.440 10.410 -3.540 1.00 1.47 H new ATOM 0 HG21 THR A 62 -13.672 13.112 -3.113 1.00 1.55 H new ATOM 0 HG22 THR A 62 -13.707 12.875 -1.350 1.00 1.55 H new ATOM 0 HG23 THR A 62 -12.167 13.225 -2.171 1.00 1.55 H new ATOM 971 N ASP A 63 -10.887 8.579 -1.113 1.00 0.78 N ATOM 972 CA ASP A 63 -10.618 7.164 -0.924 1.00 0.88 C ATOM 973 C ASP A 63 -10.700 6.438 -2.252 1.00 0.87 C ATOM 974 O ASP A 63 -10.819 5.229 -2.312 1.00 0.96 O ATOM 975 CB ASP A 63 -11.573 6.572 0.100 1.00 1.05 C ATOM 976 CG ASP A 63 -10.983 5.392 0.823 1.00 1.19 C ATOM 977 OD1 ASP A 63 -9.763 5.161 0.708 1.00 1.54 O ATOM 978 OD2 ASP A 63 -11.740 4.724 1.547 1.00 1.42 O ATOM 0 H ASP A 63 -10.041 9.148 -1.085 1.00 0.78 H new ATOM 0 HA ASP A 63 -9.607 7.041 -0.536 1.00 0.88 H new ATOM 0 HB2 ASP A 63 -11.845 7.339 0.825 1.00 1.05 H new ATOM 0 HB3 ASP A 63 -12.492 6.266 -0.400 1.00 1.05 H new ATOM 983 N GLY A 64 -10.659 7.223 -3.311 1.00 0.82 N ATOM 984 CA GLY A 64 -10.710 6.690 -4.661 1.00 0.89 C ATOM 985 C GLY A 64 -9.349 6.694 -5.322 1.00 0.90 C ATOM 986 O GLY A 64 -9.041 5.845 -6.164 1.00 1.17 O ATOM 0 H GLY A 64 -10.590 8.240 -3.263 1.00 0.82 H new ATOM 0 HA2 GLY A 64 -11.098 5.672 -4.635 1.00 0.89 H new ATOM 0 HA3 GLY A 64 -11.405 7.280 -5.258 1.00 0.89 H new ATOM 990 N LEU A 65 -8.546 7.670 -4.952 1.00 0.72 N ATOM 991 CA LEU A 65 -7.164 7.771 -5.397 1.00 0.71 C ATOM 992 C LEU A 65 -6.331 8.267 -4.224 1.00 0.67 C ATOM 993 O LEU A 65 -6.834 9.012 -3.383 1.00 0.79 O ATOM 994 CB LEU A 65 -7.018 8.740 -6.574 1.00 0.74 C ATOM 995 CG LEU A 65 -8.086 8.641 -7.663 1.00 1.41 C ATOM 996 CD1 LEU A 65 -8.128 9.923 -8.475 1.00 2.03 C ATOM 997 CD2 LEU A 65 -7.817 7.459 -8.577 1.00 2.04 C ATOM 0 H LEU A 65 -8.833 8.424 -4.328 1.00 0.72 H new ATOM 0 HA LEU A 65 -6.826 6.792 -5.736 1.00 0.71 H new ATOM 0 HB2 LEU A 65 -7.020 9.757 -6.183 1.00 0.74 H new ATOM 0 HB3 LEU A 65 -6.043 8.577 -7.034 1.00 0.74 H new ATOM 0 HG LEU A 65 -9.052 8.492 -7.180 1.00 1.41 H new ATOM 0 HD11 LEU A 65 -8.893 9.840 -9.247 1.00 2.03 H new ATOM 0 HD12 LEU A 65 -8.364 10.761 -7.820 1.00 2.03 H new ATOM 0 HD13 LEU A 65 -7.157 10.090 -8.942 1.00 2.03 H new ATOM 0 HD21 LEU A 65 -8.590 7.409 -9.344 1.00 2.04 H new ATOM 0 HD22 LEU A 65 -6.843 7.580 -9.051 1.00 2.04 H new ATOM 0 HD23 LEU A 65 -7.825 6.539 -7.993 1.00 2.04 H new ATOM 1009 N LEU A 66 -5.083 7.845 -4.139 1.00 0.65 N ATOM 1010 CA LEU A 66 -4.266 8.182 -2.978 1.00 0.68 C ATOM 1011 C LEU A 66 -2.836 8.554 -3.344 1.00 0.63 C ATOM 1012 O LEU A 66 -2.107 7.809 -4.019 1.00 0.73 O ATOM 1013 CB LEU A 66 -4.296 7.032 -1.984 1.00 0.90 C ATOM 1014 CG LEU A 66 -4.779 5.724 -2.587 1.00 0.79 C ATOM 1015 CD1 LEU A 66 -3.618 4.950 -3.192 1.00 1.55 C ATOM 1016 CD2 LEU A 66 -5.527 4.907 -1.552 1.00 1.56 C ATOM 0 H LEU A 66 -4.615 7.277 -4.845 1.00 0.65 H new ATOM 0 HA LEU A 66 -4.697 9.072 -2.520 1.00 0.68 H new ATOM 0 HB2 LEU A 66 -3.295 6.888 -1.577 1.00 0.90 H new ATOM 0 HB3 LEU A 66 -4.944 7.300 -1.150 1.00 0.90 H new ATOM 0 HG LEU A 66 -5.476 5.945 -3.395 1.00 0.79 H new ATOM 0 HD11 LEU A 66 -3.986 4.017 -3.618 1.00 1.55 H new ATOM 0 HD12 LEU A 66 -3.151 5.547 -3.975 1.00 1.55 H new ATOM 0 HD13 LEU A 66 -2.884 4.730 -2.417 1.00 1.55 H new ATOM 0 HD21 LEU A 66 -5.866 3.973 -2.001 1.00 1.56 H new ATOM 0 HD22 LEU A 66 -4.865 4.688 -0.714 1.00 1.56 H new ATOM 0 HD23 LEU A 66 -6.388 5.472 -1.196 1.00 1.56 H new ATOM 1028 N TYR A 67 -2.426 9.703 -2.861 1.00 0.62 N ATOM 1029 CA TYR A 67 -1.114 10.207 -3.190 1.00 0.63 C ATOM 1030 C TYR A 67 -0.347 10.475 -1.913 1.00 0.70 C ATOM 1031 O TYR A 67 -0.938 10.838 -0.911 1.00 0.98 O ATOM 1032 CB TYR A 67 -1.264 11.490 -4.020 1.00 0.91 C ATOM 1033 CG TYR A 67 -1.772 12.686 -3.234 1.00 0.72 C ATOM 1034 CD1 TYR A 67 -3.116 12.809 -2.883 1.00 0.75 C ATOM 1035 CD2 TYR A 67 -0.901 13.700 -2.847 1.00 0.84 C ATOM 1036 CE1 TYR A 67 -3.568 13.902 -2.167 1.00 0.95 C ATOM 1037 CE2 TYR A 67 -1.349 14.793 -2.131 1.00 1.16 C ATOM 1038 CZ TYR A 67 -2.681 14.890 -1.796 1.00 1.21 C ATOM 1039 OH TYR A 67 -3.127 15.982 -1.084 1.00 1.64 O ATOM 0 H TYR A 67 -2.976 10.302 -2.245 1.00 0.62 H new ATOM 0 HA TYR A 67 -0.561 9.473 -3.777 1.00 0.63 H new ATOM 0 HB2 TYR A 67 -0.298 11.741 -4.457 1.00 0.91 H new ATOM 0 HB3 TYR A 67 -1.947 11.296 -4.847 1.00 0.91 H new ATOM 0 HD1 TYR A 67 -3.814 12.039 -3.175 1.00 0.75 H new ATOM 0 HD2 TYR A 67 0.144 13.631 -3.111 1.00 0.84 H new ATOM 0 HE1 TYR A 67 -4.611 13.981 -1.900 1.00 0.95 H new ATOM 0 HE2 TYR A 67 -0.658 15.568 -1.835 1.00 1.16 H new ATOM 0 HH TYR A 67 -2.375 16.583 -0.902 1.00 1.64 H new ATOM 1049 N GLY A 68 0.964 10.326 -1.951 1.00 0.66 N ATOM 1050 CA GLY A 68 1.744 10.570 -0.766 1.00 0.80 C ATOM 1051 C GLY A 68 3.214 10.710 -1.018 1.00 0.81 C ATOM 1052 O GLY A 68 3.715 10.233 -2.026 1.00 0.85 O ATOM 0 H GLY A 68 1.497 10.043 -2.774 1.00 0.66 H new ATOM 0 HA2 GLY A 68 1.381 11.479 -0.286 1.00 0.80 H new ATOM 0 HA3 GLY A 68 1.583 9.752 -0.064 1.00 0.80 H new ATOM 1056 N SER A 69 3.917 11.354 -0.097 1.00 0.91 N ATOM 1057 CA SER A 69 5.377 11.281 -0.133 1.00 1.08 C ATOM 1058 C SER A 69 6.072 11.318 1.242 1.00 1.38 C ATOM 1059 O SER A 69 6.845 10.418 1.562 1.00 1.62 O ATOM 1060 CB SER A 69 5.922 12.410 -1.010 1.00 1.08 C ATOM 1061 OG SER A 69 7.318 12.284 -1.223 1.00 1.39 O ATOM 0 H SER A 69 3.523 11.914 0.659 1.00 0.91 H new ATOM 0 HA SER A 69 5.608 10.300 -0.548 1.00 1.08 H new ATOM 0 HB2 SER A 69 5.406 12.406 -1.970 1.00 1.08 H new ATOM 0 HB3 SER A 69 5.711 13.370 -0.539 1.00 1.08 H new ATOM 0 HG SER A 69 7.504 12.292 -2.185 1.00 1.39 H new ATOM 1067 N GLN A 70 5.790 12.319 2.059 1.00 1.49 N ATOM 1068 CA GLN A 70 6.619 12.534 3.258 1.00 1.85 C ATOM 1069 C GLN A 70 6.188 11.779 4.531 1.00 1.93 C ATOM 1070 O GLN A 70 7.005 11.134 5.189 1.00 2.19 O ATOM 1071 CB GLN A 70 6.682 14.030 3.568 1.00 2.07 C ATOM 1072 CG GLN A 70 7.639 14.366 4.698 1.00 2.63 C ATOM 1073 CD GLN A 70 7.587 15.820 5.105 1.00 3.22 C ATOM 1074 OE1 GLN A 70 7.290 16.701 4.298 1.00 3.66 O ATOM 1075 NE2 GLN A 70 7.886 16.084 6.366 1.00 3.79 N ATOM 0 H GLN A 70 5.024 12.981 1.932 1.00 1.49 H new ATOM 0 HA GLN A 70 7.592 12.118 2.997 1.00 1.85 H new ATOM 0 HB2 GLN A 70 6.986 14.568 2.670 1.00 2.07 H new ATOM 0 HB3 GLN A 70 5.684 14.383 3.828 1.00 2.07 H new ATOM 0 HG2 GLN A 70 7.404 13.744 5.562 1.00 2.63 H new ATOM 0 HG3 GLN A 70 8.655 14.116 4.392 1.00 2.63 H new ATOM 0 HE21 GLN A 70 8.127 15.324 7.003 1.00 3.79 H new ATOM 0 HE22 GLN A 70 7.876 17.047 6.702 1.00 3.79 H new ATOM 1084 N THR A 71 4.911 11.835 4.850 1.00 1.75 N ATOM 1085 CA THR A 71 4.462 11.531 6.223 1.00 1.78 C ATOM 1086 C THR A 71 3.273 10.568 6.290 1.00 1.56 C ATOM 1087 O THR A 71 2.606 10.337 5.318 1.00 1.63 O ATOM 1088 CB THR A 71 4.102 12.841 6.943 1.00 1.94 C ATOM 1089 OG1 THR A 71 3.799 13.864 5.980 1.00 2.26 O ATOM 1090 CG2 THR A 71 5.238 13.301 7.845 1.00 2.31 C ATOM 0 H THR A 71 4.165 12.082 4.200 1.00 1.75 H new ATOM 0 HA THR A 71 5.293 11.026 6.715 1.00 1.78 H new ATOM 0 HB THR A 71 3.226 12.656 7.564 1.00 1.94 H new ATOM 0 HG1 THR A 71 2.888 13.736 5.642 1.00 2.26 H new ATOM 0 HG21 THR A 71 4.955 14.229 8.341 1.00 2.31 H new ATOM 0 HG22 THR A 71 5.440 12.536 8.595 1.00 2.31 H new ATOM 0 HG23 THR A 71 6.133 13.468 7.246 1.00 2.31 H new ATOM 1098 N PRO A 72 2.932 10.018 7.449 1.00 1.41 N ATOM 1099 CA PRO A 72 1.737 9.219 7.560 1.00 1.20 C ATOM 1100 C PRO A 72 0.676 9.858 8.446 1.00 1.04 C ATOM 1101 O PRO A 72 0.822 9.930 9.666 1.00 1.06 O ATOM 1102 CB PRO A 72 2.283 7.985 8.258 1.00 1.31 C ATOM 1103 CG PRO A 72 3.419 8.496 9.122 1.00 1.49 C ATOM 1104 CD PRO A 72 3.725 9.918 8.670 1.00 1.53 C ATOM 0 HA PRO A 72 1.247 9.058 6.600 1.00 1.20 H new ATOM 0 HB2 PRO A 72 1.515 7.500 8.861 1.00 1.31 H new ATOM 0 HB3 PRO A 72 2.636 7.247 7.537 1.00 1.31 H new ATOM 0 HG2 PRO A 72 3.139 8.479 10.175 1.00 1.49 H new ATOM 0 HG3 PRO A 72 4.299 7.861 9.016 1.00 1.49 H new ATOM 0 HD2 PRO A 72 3.426 10.657 9.414 1.00 1.53 H new ATOM 0 HD3 PRO A 72 4.788 10.068 8.481 1.00 1.53 H new ATOM 1112 N ASN A 73 -0.392 10.346 7.830 1.00 0.94 N ATOM 1113 CA ASN A 73 -1.493 10.883 8.601 1.00 0.86 C ATOM 1114 C ASN A 73 -2.410 9.712 8.814 1.00 0.68 C ATOM 1115 O ASN A 73 -2.174 8.657 8.217 1.00 0.71 O ATOM 1116 CB ASN A 73 -2.184 12.010 7.818 1.00 0.98 C ATOM 1117 CG ASN A 73 -3.115 12.857 8.668 1.00 1.57 C ATOM 1118 OD1 ASN A 73 -4.401 12.535 8.657 1.00 2.21 O flip ATOM 1119 ND2 ASN A 73 -2.687 13.815 9.307 1.00 2.17 N flip ATOM 0 H ASN A 73 -0.515 10.379 6.818 1.00 0.94 H new ATOM 0 HA ASN A 73 -1.178 11.321 9.548 1.00 0.86 H new ATOM 0 HB2 ASN A 73 -1.423 12.653 7.375 1.00 0.98 H new ATOM 0 HB3 ASN A 73 -2.751 11.575 6.995 1.00 0.98 H new ATOM 0 HD21 ASN A 73 -1.691 14.034 9.293 1.00 2.17 H new ATOM 0 HD22 ASN A 73 -3.328 14.392 9.852 1.00 2.17 H new ATOM 1126 N GLU A 74 -3.477 9.816 9.567 1.00 0.59 N ATOM 1127 CA GLU A 74 -4.406 8.773 9.365 1.00 0.47 C ATOM 1128 C GLU A 74 -5.540 9.371 8.607 1.00 0.52 C ATOM 1129 O GLU A 74 -6.434 10.037 9.121 1.00 0.64 O ATOM 1130 CB GLU A 74 -4.901 8.183 10.695 1.00 0.49 C ATOM 1131 CG GLU A 74 -3.825 7.495 11.530 1.00 1.15 C ATOM 1132 CD GLU A 74 -2.898 8.466 12.233 1.00 1.51 C ATOM 1133 OE1 GLU A 74 -3.377 9.261 13.068 1.00 1.84 O ATOM 1134 OE2 GLU A 74 -1.679 8.435 11.953 1.00 2.11 O ATOM 0 H GLU A 74 -3.699 10.538 10.253 1.00 0.59 H new ATOM 0 HA GLU A 74 -3.943 7.949 8.821 1.00 0.47 H new ATOM 0 HB2 GLU A 74 -5.345 8.983 11.288 1.00 0.49 H new ATOM 0 HB3 GLU A 74 -5.693 7.464 10.485 1.00 0.49 H new ATOM 0 HG2 GLU A 74 -4.304 6.858 12.274 1.00 1.15 H new ATOM 0 HG3 GLU A 74 -3.236 6.844 10.885 1.00 1.15 H new ATOM 1141 N GLU A 75 -5.446 9.059 7.355 1.00 0.49 N ATOM 1142 CA GLU A 75 -6.490 9.103 6.385 1.00 0.52 C ATOM 1143 C GLU A 75 -6.390 7.828 5.599 1.00 0.40 C ATOM 1144 O GLU A 75 -7.353 7.334 5.028 1.00 0.47 O ATOM 1145 CB GLU A 75 -6.300 10.307 5.481 1.00 0.69 C ATOM 1146 CG GLU A 75 -6.510 11.619 6.213 1.00 0.89 C ATOM 1147 CD GLU A 75 -6.564 12.821 5.297 1.00 1.40 C ATOM 1148 OE1 GLU A 75 -7.578 12.986 4.589 1.00 1.69 O ATOM 1149 OE2 GLU A 75 -5.607 13.621 5.310 1.00 2.16 O ATOM 0 H GLU A 75 -4.564 8.741 6.953 1.00 0.49 H new ATOM 0 HA GLU A 75 -7.471 9.195 6.851 1.00 0.52 H new ATOM 0 HB2 GLU A 75 -5.295 10.286 5.059 1.00 0.69 H new ATOM 0 HB3 GLU A 75 -6.998 10.244 4.646 1.00 0.69 H new ATOM 0 HG2 GLU A 75 -7.438 11.564 6.781 1.00 0.89 H new ATOM 0 HG3 GLU A 75 -5.703 11.757 6.933 1.00 0.89 H new ATOM 1156 N CYS A 76 -5.154 7.322 5.553 1.00 0.37 N ATOM 1157 CA CYS A 76 -4.853 6.141 4.778 1.00 0.47 C ATOM 1158 C CYS A 76 -4.906 4.876 5.642 1.00 0.40 C ATOM 1159 O CYS A 76 -4.205 3.904 5.380 1.00 0.48 O ATOM 1160 CB CYS A 76 -3.488 6.280 4.112 1.00 0.68 C ATOM 1161 SG CYS A 76 -3.585 6.608 2.333 1.00 1.40 S ATOM 0 H CYS A 76 -4.355 7.720 6.047 1.00 0.37 H new ATOM 0 HA CYS A 76 -5.614 6.043 4.004 1.00 0.47 H new ATOM 0 HB2 CYS A 76 -2.938 7.088 4.593 1.00 0.68 H new ATOM 0 HB3 CYS A 76 -2.918 5.365 4.275 1.00 0.68 H new ATOM 0 HG CYS A 76 -4.049 5.558 1.723 1.00 1.40 H new ATOM 1167 N LEU A 77 -5.728 4.913 6.685 1.00 0.37 N ATOM 1168 CA LEU A 77 -5.978 3.737 7.516 1.00 0.46 C ATOM 1169 C LEU A 77 -6.833 2.756 6.748 1.00 0.39 C ATOM 1170 O LEU A 77 -7.861 3.136 6.185 1.00 0.40 O ATOM 1171 CB LEU A 77 -6.699 4.110 8.814 1.00 0.66 C ATOM 1172 CG LEU A 77 -5.833 4.738 9.903 1.00 0.96 C ATOM 1173 CD1 LEU A 77 -6.670 5.018 11.142 1.00 1.63 C ATOM 1174 CD2 LEU A 77 -4.670 3.821 10.250 1.00 1.59 C ATOM 0 H LEU A 77 -6.236 5.748 6.977 1.00 0.37 H new ATOM 0 HA LEU A 77 -5.015 3.293 7.771 1.00 0.46 H new ATOM 0 HB2 LEU A 77 -7.504 4.804 8.573 1.00 0.66 H new ATOM 0 HB3 LEU A 77 -7.163 3.211 9.220 1.00 0.66 H new ATOM 0 HG LEU A 77 -5.432 5.680 9.529 1.00 0.96 H new ATOM 0 HD11 LEU A 77 -6.042 5.466 11.912 1.00 1.63 H new ATOM 0 HD12 LEU A 77 -7.478 5.705 10.888 1.00 1.63 H new ATOM 0 HD13 LEU A 77 -7.091 4.084 11.515 1.00 1.63 H new ATOM 0 HD21 LEU A 77 -4.062 4.283 11.028 1.00 1.59 H new ATOM 0 HD22 LEU A 77 -5.054 2.866 10.609 1.00 1.59 H new ATOM 0 HD23 LEU A 77 -4.059 3.656 9.362 1.00 1.59 H new ATOM 1186 N PHE A 78 -6.427 1.499 6.719 1.00 0.39 N ATOM 1187 CA PHE A 78 -7.118 0.527 5.925 1.00 0.39 C ATOM 1188 C PHE A 78 -7.404 -0.742 6.733 1.00 0.36 C ATOM 1189 O PHE A 78 -6.798 -0.974 7.778 1.00 0.41 O ATOM 1190 CB PHE A 78 -6.292 0.207 4.681 1.00 0.53 C ATOM 1191 CG PHE A 78 -6.109 1.390 3.767 1.00 0.56 C ATOM 1192 CD1 PHE A 78 -7.194 2.172 3.398 1.00 0.66 C ATOM 1193 CD2 PHE A 78 -4.854 1.736 3.299 1.00 0.65 C ATOM 1194 CE1 PHE A 78 -7.029 3.273 2.581 1.00 0.81 C ATOM 1195 CE2 PHE A 78 -4.682 2.839 2.484 1.00 0.78 C ATOM 1196 CZ PHE A 78 -5.770 3.609 2.124 1.00 0.84 C ATOM 0 H PHE A 78 -5.625 1.139 7.237 1.00 0.39 H new ATOM 0 HA PHE A 78 -8.079 0.940 5.618 1.00 0.39 H new ATOM 0 HB2 PHE A 78 -5.313 -0.161 4.988 1.00 0.53 H new ATOM 0 HB3 PHE A 78 -6.776 -0.598 4.129 1.00 0.53 H new ATOM 0 HD1 PHE A 78 -8.181 1.916 3.755 1.00 0.66 H new ATOM 0 HD2 PHE A 78 -3.998 1.137 3.574 1.00 0.65 H new ATOM 0 HE1 PHE A 78 -7.884 3.871 2.300 1.00 0.81 H new ATOM 0 HE2 PHE A 78 -3.696 3.099 2.129 1.00 0.78 H new ATOM 0 HZ PHE A 78 -5.637 4.471 1.487 1.00 0.84 H new ATOM 1206 N LEU A 79 -8.347 -1.543 6.254 1.00 0.37 N ATOM 1207 CA LEU A 79 -8.724 -2.793 6.924 1.00 0.37 C ATOM 1208 C LEU A 79 -8.167 -3.990 6.156 1.00 0.35 C ATOM 1209 O LEU A 79 -8.214 -4.017 4.936 1.00 0.35 O ATOM 1210 CB LEU A 79 -10.254 -2.875 7.064 1.00 0.44 C ATOM 1211 CG LEU A 79 -10.807 -4.061 7.867 1.00 0.55 C ATOM 1212 CD1 LEU A 79 -12.130 -3.685 8.512 1.00 1.02 C ATOM 1213 CD2 LEU A 79 -11.006 -5.279 6.974 1.00 1.09 C ATOM 0 H LEU A 79 -8.871 -1.353 5.400 1.00 0.37 H new ATOM 0 HA LEU A 79 -8.294 -2.810 7.925 1.00 0.37 H new ATOM 0 HB2 LEU A 79 -10.603 -1.954 7.531 1.00 0.44 H new ATOM 0 HB3 LEU A 79 -10.687 -2.909 6.064 1.00 0.44 H new ATOM 0 HG LEU A 79 -10.082 -4.310 8.641 1.00 0.55 H new ATOM 0 HD11 LEU A 79 -12.513 -4.534 9.079 1.00 1.02 H new ATOM 0 HD12 LEU A 79 -11.980 -2.839 9.182 1.00 1.02 H new ATOM 0 HD13 LEU A 79 -12.848 -3.412 7.738 1.00 1.02 H new ATOM 0 HD21 LEU A 79 -11.398 -6.105 7.567 1.00 1.09 H new ATOM 0 HD22 LEU A 79 -11.711 -5.036 6.179 1.00 1.09 H new ATOM 0 HD23 LEU A 79 -10.051 -5.569 6.536 1.00 1.09 H new ATOM 1225 N GLU A 80 -7.634 -4.971 6.868 1.00 0.39 N ATOM 1226 CA GLU A 80 -6.938 -6.079 6.230 1.00 0.42 C ATOM 1227 C GLU A 80 -7.838 -7.297 6.064 1.00 0.40 C ATOM 1228 O GLU A 80 -8.523 -7.721 6.995 1.00 0.51 O ATOM 1229 CB GLU A 80 -5.702 -6.482 7.038 1.00 0.57 C ATOM 1230 CG GLU A 80 -4.870 -7.558 6.350 1.00 0.97 C ATOM 1231 CD GLU A 80 -3.538 -7.813 7.025 1.00 1.40 C ATOM 1232 OE1 GLU A 80 -3.534 -8.332 8.164 1.00 1.69 O ATOM 1233 OE2 GLU A 80 -2.493 -7.492 6.424 1.00 2.07 O ATOM 0 H GLU A 80 -7.670 -5.023 7.886 1.00 0.39 H new ATOM 0 HA GLU A 80 -6.637 -5.731 5.242 1.00 0.42 H new ATOM 0 HB2 GLU A 80 -5.081 -5.602 7.207 1.00 0.57 H new ATOM 0 HB3 GLU A 80 -6.016 -6.843 8.017 1.00 0.57 H new ATOM 0 HG2 GLU A 80 -5.440 -8.487 6.325 1.00 0.97 H new ATOM 0 HG3 GLU A 80 -4.694 -7.264 5.315 1.00 0.97 H new ATOM 1240 N ARG A 81 -7.818 -7.846 4.858 1.00 0.38 N ATOM 1241 CA ARG A 81 -8.479 -9.098 4.555 1.00 0.39 C ATOM 1242 C ARG A 81 -7.414 -10.152 4.326 1.00 0.48 C ATOM 1243 O ARG A 81 -6.462 -9.928 3.577 1.00 0.75 O ATOM 1244 CB ARG A 81 -9.368 -8.988 3.309 1.00 0.56 C ATOM 1245 CG ARG A 81 -9.777 -10.348 2.757 1.00 0.76 C ATOM 1246 CD ARG A 81 -10.487 -10.240 1.418 1.00 1.34 C ATOM 1247 NE ARG A 81 -10.441 -11.508 0.688 1.00 2.05 N ATOM 1248 CZ ARG A 81 -11.421 -11.974 -0.085 1.00 2.81 C ATOM 1249 NH1 ARG A 81 -12.557 -11.299 -0.219 1.00 3.05 N ATOM 1250 NH2 ARG A 81 -11.267 -13.129 -0.717 1.00 3.75 N ATOM 0 H ARG A 81 -7.338 -7.429 4.060 1.00 0.38 H new ATOM 0 HA ARG A 81 -9.123 -9.366 5.392 1.00 0.39 H new ATOM 0 HB2 ARG A 81 -10.263 -8.416 3.555 1.00 0.56 H new ATOM 0 HB3 ARG A 81 -8.837 -8.432 2.537 1.00 0.56 H new ATOM 0 HG2 ARG A 81 -8.891 -10.973 2.646 1.00 0.76 H new ATOM 0 HG3 ARG A 81 -10.431 -10.846 3.473 1.00 0.76 H new ATOM 0 HD2 ARG A 81 -11.525 -9.947 1.577 1.00 1.34 H new ATOM 0 HD3 ARG A 81 -10.022 -9.456 0.820 1.00 1.34 H new ATOM 0 HE ARG A 81 -9.598 -12.076 0.778 1.00 2.05 H new ATOM 0 HH11 ARG A 81 -12.686 -10.415 0.272 1.00 3.05 H new ATOM 0 HH12 ARG A 81 -13.301 -11.665 -0.813 1.00 3.05 H new ATOM 0 HH21 ARG A 81 -10.401 -13.657 -0.610 1.00 3.75 H new ATOM 0 HH22 ARG A 81 -12.015 -13.490 -1.310 1.00 3.75 H new ATOM 1264 N LEU A 82 -7.567 -11.288 4.961 1.00 0.60 N ATOM 1265 CA LEU A 82 -6.575 -12.336 4.858 1.00 0.82 C ATOM 1266 C LEU A 82 -6.924 -13.311 3.751 1.00 0.66 C ATOM 1267 O LEU A 82 -7.925 -14.023 3.828 1.00 0.84 O ATOM 1268 CB LEU A 82 -6.428 -13.074 6.189 1.00 1.25 C ATOM 1269 CG LEU A 82 -5.785 -12.255 7.308 1.00 1.28 C ATOM 1270 CD1 LEU A 82 -5.797 -13.037 8.612 1.00 1.93 C ATOM 1271 CD2 LEU A 82 -4.361 -11.864 6.932 1.00 1.65 C ATOM 0 H LEU A 82 -8.366 -11.513 5.554 1.00 0.60 H new ATOM 0 HA LEU A 82 -5.621 -11.869 4.612 1.00 0.82 H new ATOM 0 HB2 LEU A 82 -7.414 -13.401 6.518 1.00 1.25 H new ATOM 0 HB3 LEU A 82 -5.832 -13.972 6.027 1.00 1.25 H new ATOM 0 HG LEU A 82 -6.366 -11.343 7.447 1.00 1.28 H new ATOM 0 HD11 LEU A 82 -5.336 -12.440 9.399 1.00 1.93 H new ATOM 0 HD12 LEU A 82 -6.826 -13.268 8.888 1.00 1.93 H new ATOM 0 HD13 LEU A 82 -5.238 -13.964 8.485 1.00 1.93 H new ATOM 0 HD21 LEU A 82 -3.918 -11.281 7.740 1.00 1.65 H new ATOM 0 HD22 LEU A 82 -3.768 -12.764 6.766 1.00 1.65 H new ATOM 0 HD23 LEU A 82 -4.376 -11.267 6.020 1.00 1.65 H new ATOM 1283 N GLU A 83 -6.107 -13.313 2.713 1.00 0.76 N ATOM 1284 CA GLU A 83 -6.190 -14.329 1.686 1.00 0.82 C ATOM 1285 C GLU A 83 -5.367 -15.517 2.137 1.00 1.29 C ATOM 1286 O GLU A 83 -4.516 -15.387 3.020 1.00 2.03 O ATOM 1287 CB GLU A 83 -5.713 -13.803 0.333 1.00 1.39 C ATOM 1288 CG GLU A 83 -6.847 -13.357 -0.572 1.00 1.89 C ATOM 1289 CD GLU A 83 -7.783 -14.500 -0.914 1.00 2.05 C ATOM 1290 OE1 GLU A 83 -7.352 -15.445 -1.610 1.00 2.36 O ATOM 1291 OE2 GLU A 83 -8.962 -14.441 -0.503 1.00 2.48 O ATOM 0 H GLU A 83 -5.376 -12.618 2.561 1.00 0.76 H new ATOM 0 HA GLU A 83 -7.229 -14.627 1.547 1.00 0.82 H new ATOM 0 HB2 GLU A 83 -5.036 -12.964 0.495 1.00 1.39 H new ATOM 0 HB3 GLU A 83 -5.141 -14.582 -0.171 1.00 1.39 H new ATOM 0 HG2 GLU A 83 -7.409 -12.561 -0.083 1.00 1.89 H new ATOM 0 HG3 GLU A 83 -6.435 -12.938 -1.490 1.00 1.89 H new ATOM 1298 N GLU A 84 -5.584 -16.663 1.532 1.00 1.26 N ATOM 1299 CA GLU A 84 -5.104 -17.897 2.116 1.00 1.78 C ATOM 1300 C GLU A 84 -3.675 -18.182 1.686 1.00 1.46 C ATOM 1301 O GLU A 84 -3.413 -18.637 0.578 1.00 1.49 O ATOM 1302 CB GLU A 84 -6.028 -19.047 1.724 1.00 2.65 C ATOM 1303 CG GLU A 84 -5.713 -20.351 2.429 1.00 3.44 C ATOM 1304 CD GLU A 84 -6.797 -21.381 2.230 1.00 3.85 C ATOM 1305 OE1 GLU A 84 -7.748 -21.409 3.036 1.00 3.98 O ATOM 1306 OE2 GLU A 84 -6.711 -22.161 1.260 1.00 4.35 O ATOM 0 H GLU A 84 -6.082 -16.768 0.648 1.00 1.26 H new ATOM 0 HA GLU A 84 -5.108 -17.795 3.201 1.00 1.78 H new ATOM 0 HB2 GLU A 84 -7.058 -18.765 1.944 1.00 2.65 H new ATOM 0 HB3 GLU A 84 -5.963 -19.202 0.647 1.00 2.65 H new ATOM 0 HG2 GLU A 84 -4.767 -20.744 2.057 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -5.583 -20.164 3.495 1.00 3.44 H new ATOM 1313 N ASN A 85 -2.765 -17.811 2.584 1.00 1.98 N ATOM 1314 CA ASN A 85 -1.331 -18.087 2.476 1.00 2.36 C ATOM 1315 C ASN A 85 -0.768 -17.823 1.090 1.00 1.83 C ATOM 1316 O ASN A 85 0.129 -18.522 0.624 1.00 2.36 O ATOM 1317 CB ASN A 85 -1.015 -19.518 2.931 1.00 3.24 C ATOM 1318 CG ASN A 85 -1.281 -19.723 4.410 1.00 4.01 C ATOM 1319 OD1 ASN A 85 -0.419 -19.460 5.248 1.00 4.69 O ATOM 1320 ND2 ASN A 85 -2.469 -20.205 4.743 1.00 4.33 N ATOM 0 H ASN A 85 -3.009 -17.296 3.430 1.00 1.98 H new ATOM 0 HA ASN A 85 -0.834 -17.384 3.144 1.00 2.36 H new ATOM 0 HB2 ASN A 85 -1.616 -20.221 2.355 1.00 3.24 H new ATOM 0 HB3 ASN A 85 0.030 -19.743 2.717 1.00 3.24 H new ATOM 0 HD21 ASN A 85 -2.696 -20.371 5.724 1.00 4.33 H new ATOM 0 HD22 ASN A 85 -3.157 -20.411 4.019 1.00 4.33 H new ATOM 1327 N HIS A 86 -1.291 -16.805 0.440 1.00 1.13 N ATOM 1328 CA HIS A 86 -0.746 -16.375 -0.833 1.00 1.29 C ATOM 1329 C HIS A 86 -0.801 -14.859 -1.032 1.00 1.07 C ATOM 1330 O HIS A 86 0.045 -14.306 -1.731 1.00 1.43 O ATOM 1331 CB HIS A 86 -1.389 -17.113 -2.028 1.00 2.00 C ATOM 1332 CG HIS A 86 -2.894 -17.103 -2.083 1.00 2.54 C ATOM 1333 ND1 HIS A 86 -3.632 -18.199 -2.486 1.00 3.33 N ATOM 1334 CD2 HIS A 86 -3.800 -16.128 -1.820 1.00 3.02 C ATOM 1335 CE1 HIS A 86 -4.916 -17.900 -2.465 1.00 3.99 C ATOM 1336 NE2 HIS A 86 -5.045 -16.651 -2.065 1.00 3.81 N ATOM 0 H HIS A 86 -2.089 -16.261 0.769 1.00 1.13 H new ATOM 0 HA HIS A 86 0.308 -16.651 -0.800 1.00 1.29 H new ATOM 0 HB2 HIS A 86 -1.009 -16.670 -2.949 1.00 2.00 H new ATOM 0 HB3 HIS A 86 -1.054 -18.150 -2.011 1.00 2.00 H new ATOM 0 HD2 HIS A 86 -3.582 -15.126 -1.481 1.00 3.02 H new ATOM 0 HE1 HIS A 86 -5.724 -18.565 -2.730 1.00 3.99 H new ATOM 0 HE2 HIS A 86 -5.928 -16.153 -1.955 1.00 3.81 H new ATOM 1345 N TYR A 87 -1.771 -14.181 -0.420 1.00 0.63 N ATOM 1346 CA TYR A 87 -1.929 -12.742 -0.638 1.00 0.49 C ATOM 1347 C TYR A 87 -2.553 -12.036 0.561 1.00 0.46 C ATOM 1348 O TYR A 87 -3.231 -12.649 1.391 1.00 0.61 O ATOM 1349 CB TYR A 87 -2.792 -12.460 -1.878 1.00 0.61 C ATOM 1350 CG TYR A 87 -2.088 -12.694 -3.198 1.00 1.00 C ATOM 1351 CD1 TYR A 87 -1.055 -11.867 -3.616 1.00 1.67 C ATOM 1352 CD2 TYR A 87 -2.461 -13.746 -4.025 1.00 1.38 C ATOM 1353 CE1 TYR A 87 -0.412 -12.080 -4.820 1.00 2.52 C ATOM 1354 CE2 TYR A 87 -1.824 -13.967 -5.230 1.00 2.16 C ATOM 1355 CZ TYR A 87 -0.792 -13.114 -5.622 1.00 2.70 C ATOM 1356 OH TYR A 87 -0.161 -13.348 -6.823 1.00 3.60 O ATOM 0 H TYR A 87 -2.449 -14.595 0.220 1.00 0.63 H new ATOM 0 HA TYR A 87 -0.923 -12.350 -0.788 1.00 0.49 H new ATOM 0 HB2 TYR A 87 -3.681 -13.090 -1.838 1.00 0.61 H new ATOM 0 HB3 TYR A 87 -3.133 -11.425 -1.841 1.00 0.61 H new ATOM 0 HD1 TYR A 87 -0.748 -11.043 -2.989 1.00 1.67 H new ATOM 0 HD2 TYR A 87 -3.263 -14.402 -3.720 1.00 1.38 H new ATOM 0 HE1 TYR A 87 0.392 -11.427 -5.126 1.00 2.52 H new ATOM 0 HE2 TYR A 87 -2.121 -14.791 -5.862 1.00 2.16 H new ATOM 0 HH TYR A 87 -0.565 -14.128 -7.258 1.00 3.60 H new ATOM 1366 N ASN A 88 -2.299 -10.743 0.630 1.00 0.38 N ATOM 1367 CA ASN A 88 -2.960 -9.855 1.566 1.00 0.38 C ATOM 1368 C ASN A 88 -3.920 -8.971 0.795 1.00 0.34 C ATOM 1369 O ASN A 88 -3.601 -8.506 -0.299 1.00 0.36 O ATOM 1370 CB ASN A 88 -1.924 -8.993 2.296 1.00 0.43 C ATOM 1371 CG ASN A 88 -1.149 -9.760 3.354 1.00 0.98 C ATOM 1372 OD1 ASN A 88 -0.150 -10.418 3.057 1.00 1.80 O ATOM 1373 ND2 ASN A 88 -1.577 -9.650 4.603 1.00 1.60 N ATOM 0 H ASN A 88 -1.620 -10.275 0.030 1.00 0.38 H new ATOM 0 HA ASN A 88 -3.505 -10.438 2.308 1.00 0.38 H new ATOM 0 HB2 ASN A 88 -1.224 -8.582 1.568 1.00 0.43 H new ATOM 0 HB3 ASN A 88 -2.429 -8.148 2.765 1.00 0.43 H new ATOM 0 HD21 ASN A 88 -1.075 -10.119 5.357 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -2.408 -9.096 4.810 1.00 1.60 H new ATOM 1380 N THR A 89 -5.100 -8.774 1.333 1.00 0.36 N ATOM 1381 CA THR A 89 -6.069 -7.889 0.726 1.00 0.37 C ATOM 1382 C THR A 89 -6.322 -6.743 1.686 1.00 0.37 C ATOM 1383 O THR A 89 -5.990 -6.855 2.859 1.00 0.40 O ATOM 1384 CB THR A 89 -7.379 -8.638 0.423 1.00 0.44 C ATOM 1385 OG1 THR A 89 -7.076 -9.938 -0.096 1.00 0.50 O ATOM 1386 CG2 THR A 89 -8.213 -7.877 -0.596 1.00 0.49 C ATOM 0 H THR A 89 -5.415 -9.217 2.196 1.00 0.36 H new ATOM 0 HA THR A 89 -5.684 -7.510 -0.221 1.00 0.37 H new ATOM 0 HB THR A 89 -7.949 -8.726 1.348 1.00 0.44 H new ATOM 0 HG1 THR A 89 -7.910 -10.416 -0.288 1.00 0.50 H new ATOM 0 HG21 THR A 89 -9.134 -8.425 -0.795 1.00 0.49 H new ATOM 0 HG22 THR A 89 -8.456 -6.890 -0.203 1.00 0.49 H new ATOM 0 HG23 THR A 89 -7.648 -7.770 -1.522 1.00 0.49 H new ATOM 1394 N TYR A 90 -6.869 -5.640 1.209 1.00 0.40 N ATOM 1395 CA TYR A 90 -7.100 -4.496 2.073 1.00 0.42 C ATOM 1396 C TYR A 90 -8.369 -3.756 1.673 1.00 0.38 C ATOM 1397 O TYR A 90 -8.810 -3.831 0.526 1.00 0.42 O ATOM 1398 CB TYR A 90 -5.882 -3.561 2.054 1.00 0.49 C ATOM 1399 CG TYR A 90 -4.646 -4.169 2.682 1.00 0.54 C ATOM 1400 CD1 TYR A 90 -4.556 -4.310 4.057 1.00 0.57 C ATOM 1401 CD2 TYR A 90 -3.584 -4.626 1.906 1.00 0.76 C ATOM 1402 CE1 TYR A 90 -3.449 -4.887 4.646 1.00 0.67 C ATOM 1403 CE2 TYR A 90 -2.469 -5.201 2.492 1.00 0.85 C ATOM 1404 CZ TYR A 90 -2.410 -5.330 3.864 1.00 0.75 C ATOM 1405 OH TYR A 90 -1.315 -5.917 4.461 1.00 0.87 O ATOM 0 H TYR A 90 -7.159 -5.512 0.240 1.00 0.40 H new ATOM 0 HA TYR A 90 -7.239 -4.856 3.092 1.00 0.42 H new ATOM 0 HB2 TYR A 90 -5.659 -3.288 1.023 1.00 0.49 H new ATOM 0 HB3 TYR A 90 -6.132 -2.640 2.581 1.00 0.49 H new ATOM 0 HD1 TYR A 90 -5.367 -3.962 4.680 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -3.631 -4.531 0.831 1.00 0.76 H new ATOM 0 HE1 TYR A 90 -3.400 -4.990 5.720 1.00 0.67 H new ATOM 0 HE2 TYR A 90 -1.650 -5.547 1.878 1.00 0.85 H new ATOM 0 HH TYR A 90 -1.613 -6.494 5.195 1.00 0.87 H new ATOM 1415 N ILE A 91 -8.955 -3.053 2.630 1.00 0.35 N ATOM 1416 CA ILE A 91 -10.191 -2.331 2.423 1.00 0.35 C ATOM 1417 C ILE A 91 -9.957 -0.863 2.712 1.00 0.36 C ATOM 1418 O ILE A 91 -9.101 -0.515 3.530 1.00 0.41 O ATOM 1419 CB ILE A 91 -11.338 -2.894 3.317 1.00 0.42 C ATOM 1420 CG1 ILE A 91 -12.497 -3.374 2.448 1.00 1.12 C ATOM 1421 CG2 ILE A 91 -11.843 -1.863 4.322 1.00 0.88 C ATOM 1422 CD1 ILE A 91 -12.138 -4.523 1.531 1.00 1.55 C ATOM 0 H ILE A 91 -8.581 -2.970 3.575 1.00 0.35 H new ATOM 0 HA ILE A 91 -10.504 -2.456 1.386 1.00 0.35 H new ATOM 0 HB ILE A 91 -10.926 -3.732 3.879 1.00 0.42 H new ATOM 0 HG12 ILE A 91 -13.320 -3.680 3.093 1.00 1.12 H new ATOM 0 HG13 ILE A 91 -12.857 -2.540 1.846 1.00 1.12 H new ATOM 0 HG21 ILE A 91 -12.641 -2.300 4.922 1.00 0.88 H new ATOM 0 HG22 ILE A 91 -11.024 -1.559 4.974 1.00 0.88 H new ATOM 0 HG23 ILE A 91 -12.225 -0.992 3.789 1.00 0.88 H new ATOM 0 HD11 ILE A 91 -13.012 -4.808 0.946 1.00 1.55 H new ATOM 0 HD12 ILE A 91 -11.336 -4.216 0.859 1.00 1.55 H new ATOM 0 HD13 ILE A 91 -11.807 -5.374 2.126 1.00 1.55 H new ATOM 1434 N SER A 92 -10.722 -0.017 2.068 1.00 0.36 N ATOM 1435 CA SER A 92 -10.557 1.403 2.206 1.00 0.40 C ATOM 1436 C SER A 92 -11.418 1.859 3.363 1.00 0.43 C ATOM 1437 O SER A 92 -12.629 2.007 3.230 1.00 0.53 O ATOM 1438 CB SER A 92 -10.982 2.094 0.916 1.00 0.47 C ATOM 1439 OG SER A 92 -10.550 1.378 -0.215 1.00 1.33 O ATOM 0 H SER A 92 -11.473 -0.295 1.436 1.00 0.36 H new ATOM 0 HA SER A 92 -9.514 1.656 2.398 1.00 0.40 H new ATOM 0 HB2 SER A 92 -12.067 2.192 0.894 1.00 0.47 H new ATOM 0 HB3 SER A 92 -10.570 3.103 0.889 1.00 0.47 H new ATOM 0 HG SER A 92 -11.328 1.089 -0.736 1.00 1.33 H new ATOM 1445 N LYS A 93 -10.792 2.029 4.518 1.00 0.44 N ATOM 1446 CA LYS A 93 -11.522 2.320 5.742 1.00 0.54 C ATOM 1447 C LYS A 93 -12.067 3.739 5.754 1.00 0.57 C ATOM 1448 O LYS A 93 -12.902 4.079 6.590 1.00 0.72 O ATOM 1449 CB LYS A 93 -10.580 2.124 6.924 1.00 0.65 C ATOM 1450 CG LYS A 93 -10.727 0.796 7.627 1.00 0.84 C ATOM 1451 CD LYS A 93 -11.986 0.735 8.477 1.00 1.27 C ATOM 1452 CE LYS A 93 -11.707 0.161 9.862 1.00 1.20 C ATOM 1453 NZ LYS A 93 -10.947 1.112 10.725 1.00 1.58 N ATOM 0 H LYS A 93 -9.780 1.970 4.633 1.00 0.44 H new ATOM 0 HA LYS A 93 -12.374 1.643 5.807 1.00 0.54 H new ATOM 0 HB2 LYS A 93 -9.553 2.224 6.574 1.00 0.65 H new ATOM 0 HB3 LYS A 93 -10.751 2.924 7.645 1.00 0.65 H new ATOM 0 HG2 LYS A 93 -10.750 -0.004 6.888 1.00 0.84 H new ATOM 0 HG3 LYS A 93 -9.855 0.622 8.258 1.00 0.84 H new ATOM 0 HD2 LYS A 93 -12.406 1.736 8.576 1.00 1.27 H new ATOM 0 HD3 LYS A 93 -12.735 0.123 7.974 1.00 1.27 H new ATOM 0 HE2 LYS A 93 -12.651 -0.091 10.346 1.00 1.20 H new ATOM 0 HE3 LYS A 93 -11.143 -0.766 9.762 1.00 1.20 H new ATOM 0 HZ1 LYS A 93 -9.971 0.772 10.841 1.00 1.58 H new ATOM 0 HZ2 LYS A 93 -10.936 2.052 10.280 1.00 1.58 H new ATOM 0 HZ3 LYS A 93 -11.404 1.176 11.657 1.00 1.58 H new ATOM 1467 N LYS A 94 -11.691 4.525 4.765 1.00 0.52 N ATOM 1468 CA LYS A 94 -12.233 5.868 4.647 1.00 0.67 C ATOM 1469 C LYS A 94 -13.666 5.752 4.169 1.00 0.79 C ATOM 1470 O LYS A 94 -14.606 6.129 4.869 1.00 0.97 O ATOM 1471 CB LYS A 94 -11.402 6.760 3.704 1.00 0.69 C ATOM 1472 CG LYS A 94 -11.800 8.217 3.760 1.00 1.21 C ATOM 1473 CD LYS A 94 -11.345 8.855 5.066 1.00 1.56 C ATOM 1474 CE LYS A 94 -11.895 10.261 5.232 1.00 2.00 C ATOM 1475 NZ LYS A 94 -13.371 10.266 5.409 1.00 2.32 N ATOM 0 H LYS A 94 -11.022 4.264 4.040 1.00 0.52 H new ATOM 0 HA LYS A 94 -12.194 6.354 5.622 1.00 0.67 H new ATOM 0 HB2 LYS A 94 -10.347 6.668 3.963 1.00 0.69 H new ATOM 0 HB3 LYS A 94 -11.512 6.399 2.682 1.00 0.69 H new ATOM 0 HG2 LYS A 94 -11.360 8.751 2.917 1.00 1.21 H new ATOM 0 HG3 LYS A 94 -12.882 8.306 3.665 1.00 1.21 H new ATOM 0 HD2 LYS A 94 -11.669 8.237 5.904 1.00 1.56 H new ATOM 0 HD3 LYS A 94 -10.256 8.886 5.095 1.00 1.56 H new ATOM 0 HE2 LYS A 94 -11.425 10.734 6.094 1.00 2.00 H new ATOM 0 HE3 LYS A 94 -11.633 10.858 4.358 1.00 2.00 H new ATOM 0 HZ1 LYS A 94 -13.676 11.199 5.752 1.00 2.32 H new ATOM 0 HZ2 LYS A 94 -13.831 10.064 4.498 1.00 2.32 H new ATOM 0 HZ3 LYS A 94 -13.640 9.538 6.101 1.00 2.32 H new ATOM 1489 N HIS A 95 -13.825 5.225 2.972 1.00 0.76 N ATOM 1490 CA HIS A 95 -15.141 4.847 2.477 1.00 0.96 C ATOM 1491 C HIS A 95 -15.456 3.388 2.774 1.00 1.01 C ATOM 1492 O HIS A 95 -15.978 2.670 1.912 1.00 1.23 O ATOM 1493 CB HIS A 95 -15.268 5.120 0.980 1.00 1.06 C ATOM 1494 CG HIS A 95 -15.471 6.559 0.657 1.00 0.99 C ATOM 1495 ND1 HIS A 95 -14.618 7.545 1.084 1.00 1.55 N ATOM 1496 CD2 HIS A 95 -16.452 7.184 -0.033 1.00 1.69 C ATOM 1497 CE1 HIS A 95 -15.066 8.715 0.682 1.00 2.27 C ATOM 1498 NE2 HIS A 95 -16.177 8.528 -0.002 1.00 2.32 N ATOM 0 H HIS A 95 -13.061 5.047 2.320 1.00 0.76 H new ATOM 0 HA HIS A 95 -15.868 5.464 3.005 1.00 0.96 H new ATOM 0 HB2 HIS A 95 -14.369 4.765 0.476 1.00 1.06 H new ATOM 0 HB3 HIS A 95 -16.104 4.545 0.583 1.00 1.06 H new ATOM 0 HD2 HIS A 95 -17.294 6.713 -0.518 1.00 1.69 H new ATOM 0 HE1 HIS A 95 -14.601 9.669 0.880 1.00 2.27 H new ATOM 0 HE2 HIS A 95 -16.739 9.260 -0.436 1.00 2.32 H new ATOM 1507 N ALA A 96 -15.150 2.950 3.990 1.00 0.94 N ATOM 1508 CA ALA A 96 -15.447 1.580 4.401 1.00 1.02 C ATOM 1509 C ALA A 96 -16.939 1.273 4.294 1.00 1.03 C ATOM 1510 O ALA A 96 -17.335 0.177 3.887 1.00 1.05 O ATOM 1511 CB ALA A 96 -14.964 1.335 5.820 1.00 1.18 C ATOM 0 H ALA A 96 -14.699 3.519 4.706 1.00 0.94 H new ATOM 0 HA ALA A 96 -14.917 0.911 3.723 1.00 1.02 H new ATOM 0 HB1 ALA A 96 -15.193 0.310 6.110 1.00 1.18 H new ATOM 0 HB2 ALA A 96 -13.887 1.494 5.870 1.00 1.18 H new ATOM 0 HB3 ALA A 96 -15.465 2.025 6.499 1.00 1.18 H new ATOM 1517 N GLU A 97 -17.763 2.261 4.618 1.00 1.07 N ATOM 1518 CA GLU A 97 -19.210 2.077 4.647 1.00 1.16 C ATOM 1519 C GLU A 97 -19.796 2.062 3.240 1.00 1.07 C ATOM 1520 O GLU A 97 -20.973 1.754 3.053 1.00 1.18 O ATOM 1521 CB GLU A 97 -19.889 3.162 5.498 1.00 1.30 C ATOM 1522 CG GLU A 97 -18.944 4.226 6.046 1.00 2.04 C ATOM 1523 CD GLU A 97 -18.541 5.259 5.014 1.00 2.81 C ATOM 1524 OE1 GLU A 97 -17.694 4.954 4.154 1.00 3.42 O ATOM 1525 OE2 GLU A 97 -19.058 6.391 5.066 1.00 3.22 O ATOM 0 H GLU A 97 -17.454 3.201 4.865 1.00 1.07 H new ATOM 0 HA GLU A 97 -19.405 1.108 5.106 1.00 1.16 H new ATOM 0 HB2 GLU A 97 -20.655 3.651 4.896 1.00 1.30 H new ATOM 0 HB3 GLU A 97 -20.399 2.683 6.334 1.00 1.30 H new ATOM 0 HG2 GLU A 97 -19.423 4.729 6.886 1.00 2.04 H new ATOM 0 HG3 GLU A 97 -18.048 3.741 6.434 1.00 2.04 H new ATOM 1532 N LYS A 98 -18.983 2.410 2.252 1.00 0.92 N ATOM 1533 CA LYS A 98 -19.412 2.333 0.861 1.00 0.88 C ATOM 1534 C LYS A 98 -18.992 1.004 0.246 1.00 0.83 C ATOM 1535 O LYS A 98 -19.245 0.752 -0.934 1.00 0.83 O ATOM 1536 CB LYS A 98 -18.831 3.495 0.046 1.00 0.84 C ATOM 1537 CG LYS A 98 -19.652 4.775 0.114 1.00 1.41 C ATOM 1538 CD LYS A 98 -19.729 5.334 1.523 1.00 1.98 C ATOM 1539 CE LYS A 98 -20.690 6.509 1.611 1.00 2.14 C ATOM 1540 NZ LYS A 98 -22.081 6.119 1.250 1.00 2.65 N ATOM 0 H LYS A 98 -18.029 2.746 2.385 1.00 0.92 H new ATOM 0 HA LYS A 98 -20.499 2.404 0.839 1.00 0.88 H new ATOM 0 HB2 LYS A 98 -17.822 3.704 0.401 1.00 0.84 H new ATOM 0 HB3 LYS A 98 -18.745 3.186 -0.996 1.00 0.84 H new ATOM 0 HG2 LYS A 98 -19.213 5.522 -0.548 1.00 1.41 H new ATOM 0 HG3 LYS A 98 -20.660 4.578 -0.252 1.00 1.41 H new ATOM 0 HD2 LYS A 98 -20.050 4.550 2.208 1.00 1.98 H new ATOM 0 HD3 LYS A 98 -18.737 5.651 1.843 1.00 1.98 H new ATOM 0 HE2 LYS A 98 -20.678 6.913 2.623 1.00 2.14 H new ATOM 0 HE3 LYS A 98 -20.352 7.304 0.947 1.00 2.14 H new ATOM 0 HZ1 LYS A 98 -22.747 6.827 1.620 1.00 2.65 H new ATOM 0 HZ2 LYS A 98 -22.170 6.067 0.215 1.00 2.65 H new ATOM 0 HZ3 LYS A 98 -22.299 5.190 1.663 1.00 2.65 H new ATOM 1554 N ASN A 99 -18.303 0.183 1.046 1.00 0.82 N ATOM 1555 CA ASN A 99 -17.950 -1.188 0.662 1.00 0.84 C ATOM 1556 C ASN A 99 -16.753 -1.198 -0.271 1.00 0.68 C ATOM 1557 O ASN A 99 -16.539 -2.157 -1.014 1.00 0.74 O ATOM 1558 CB ASN A 99 -19.129 -1.950 0.041 1.00 1.01 C ATOM 1559 CG ASN A 99 -20.059 -2.530 1.088 1.00 1.34 C ATOM 1560 OD1 ASN A 99 -19.859 -3.650 1.559 1.00 1.96 O ATOM 1561 ND2 ASN A 99 -21.086 -1.781 1.453 1.00 2.00 N ATOM 0 H ASN A 99 -17.975 0.449 1.975 1.00 0.82 H new ATOM 0 HA ASN A 99 -17.683 -1.711 1.580 1.00 0.84 H new ATOM 0 HB2 ASN A 99 -19.691 -1.278 -0.608 1.00 1.01 H new ATOM 0 HB3 ASN A 99 -18.747 -2.755 -0.588 1.00 1.01 H new ATOM 0 HD21 ASN A 99 -21.747 -2.126 2.149 1.00 2.00 H new ATOM 0 HD22 ASN A 99 -21.217 -0.858 1.039 1.00 2.00 H new ATOM 1568 N TRP A 100 -15.986 -0.121 -0.245 1.00 0.54 N ATOM 1569 CA TRP A 100 -14.819 -0.002 -1.099 1.00 0.44 C ATOM 1570 C TRP A 100 -13.695 -0.907 -0.624 1.00 0.41 C ATOM 1571 O TRP A 100 -13.453 -1.051 0.577 1.00 0.45 O ATOM 1572 CB TRP A 100 -14.323 1.441 -1.133 1.00 0.51 C ATOM 1573 CG TRP A 100 -15.029 2.326 -2.115 1.00 0.52 C ATOM 1574 CD1 TRP A 100 -16.088 2.018 -2.922 1.00 1.03 C ATOM 1575 CD2 TRP A 100 -14.699 3.681 -2.393 1.00 0.54 C ATOM 1576 NE1 TRP A 100 -16.430 3.115 -3.685 1.00 1.33 N ATOM 1577 CE2 TRP A 100 -15.587 4.151 -3.372 1.00 1.01 C ATOM 1578 CE3 TRP A 100 -13.731 4.539 -1.898 1.00 0.62 C ATOM 1579 CZ2 TRP A 100 -15.526 5.461 -3.864 1.00 1.22 C ATOM 1580 CZ3 TRP A 100 -13.673 5.821 -2.379 1.00 0.82 C ATOM 1581 CH2 TRP A 100 -14.553 6.280 -3.347 1.00 1.01 C ATOM 0 H TRP A 100 -16.152 0.684 0.359 1.00 0.54 H new ATOM 0 HA TRP A 100 -15.116 -0.308 -2.102 1.00 0.44 H new ATOM 0 HB2 TRP A 100 -14.429 1.870 -0.137 1.00 0.51 H new ATOM 0 HB3 TRP A 100 -13.258 1.439 -1.367 1.00 0.51 H new ATOM 0 HD1 TRP A 100 -16.583 1.059 -2.957 1.00 1.03 H new ATOM 0 HE1 TRP A 100 -17.185 3.150 -4.369 1.00 1.33 H new ATOM 0 HE3 TRP A 100 -13.033 4.203 -1.145 1.00 0.62 H new ATOM 0 HZ2 TRP A 100 -16.215 5.812 -4.618 1.00 1.22 H new ATOM 0 HZ3 TRP A 100 -12.920 6.493 -1.993 1.00 0.82 H new ATOM 0 HH2 TRP A 100 -14.472 7.298 -3.700 1.00 1.01 H new ATOM 1592 N PHE A 101 -13.015 -1.507 -1.581 1.00 0.50 N ATOM 1593 CA PHE A 101 -11.810 -2.278 -1.314 1.00 0.51 C ATOM 1594 C PHE A 101 -10.647 -1.326 -1.493 1.00 0.55 C ATOM 1595 O PHE A 101 -10.792 -0.345 -2.206 1.00 0.67 O ATOM 1596 CB PHE A 101 -11.646 -3.449 -2.288 1.00 0.60 C ATOM 1597 CG PHE A 101 -12.854 -4.327 -2.462 1.00 0.61 C ATOM 1598 CD1 PHE A 101 -13.925 -3.908 -3.235 1.00 0.62 C ATOM 1599 CD2 PHE A 101 -12.895 -5.589 -1.894 1.00 0.72 C ATOM 1600 CE1 PHE A 101 -15.016 -4.730 -3.433 1.00 0.71 C ATOM 1601 CE2 PHE A 101 -13.987 -6.413 -2.083 1.00 0.79 C ATOM 1602 CZ PHE A 101 -15.048 -5.983 -2.858 1.00 0.77 C ATOM 0 H PHE A 101 -13.279 -1.476 -2.566 1.00 0.50 H new ATOM 0 HA PHE A 101 -11.861 -2.700 -0.310 1.00 0.51 H new ATOM 0 HB2 PHE A 101 -11.366 -3.050 -3.263 1.00 0.60 H new ATOM 0 HB3 PHE A 101 -10.816 -4.068 -1.947 1.00 0.60 H new ATOM 0 HD1 PHE A 101 -13.906 -2.928 -3.687 1.00 0.62 H new ATOM 0 HD2 PHE A 101 -12.064 -5.933 -1.296 1.00 0.72 H new ATOM 0 HE1 PHE A 101 -15.844 -4.392 -4.038 1.00 0.71 H new ATOM 0 HE2 PHE A 101 -14.012 -7.391 -1.626 1.00 0.79 H new ATOM 0 HZ PHE A 101 -15.901 -6.627 -3.013 1.00 0.77 H new ATOM 1612 N VAL A 102 -9.532 -1.512 -0.818 1.00 0.52 N ATOM 1613 CA VAL A 102 -8.411 -0.650 -1.129 1.00 0.55 C ATOM 1614 C VAL A 102 -7.348 -1.431 -1.917 1.00 0.50 C ATOM 1615 O VAL A 102 -6.733 -2.377 -1.427 1.00 0.60 O ATOM 1616 CB VAL A 102 -7.844 0.056 0.139 1.00 0.74 C ATOM 1617 CG1 VAL A 102 -6.752 -0.730 0.835 1.00 1.50 C ATOM 1618 CG2 VAL A 102 -7.370 1.454 -0.202 1.00 1.27 C ATOM 0 H VAL A 102 -9.379 -2.210 -0.091 1.00 0.52 H new ATOM 0 HA VAL A 102 -8.761 0.159 -1.770 1.00 0.55 H new ATOM 0 HB VAL A 102 -8.667 0.117 0.851 1.00 0.74 H new ATOM 0 HG11 VAL A 102 -6.406 -0.177 1.708 1.00 1.50 H new ATOM 0 HG12 VAL A 102 -7.144 -1.697 1.150 1.00 1.50 H new ATOM 0 HG13 VAL A 102 -5.919 -0.882 0.148 1.00 1.50 H new ATOM 0 HG21 VAL A 102 -6.977 1.934 0.694 1.00 1.27 H new ATOM 0 HG22 VAL A 102 -6.586 1.398 -0.957 1.00 1.27 H new ATOM 0 HG23 VAL A 102 -8.206 2.037 -0.589 1.00 1.27 H new ATOM 1628 N GLY A 103 -7.197 -1.045 -3.177 1.00 0.54 N ATOM 1629 CA GLY A 103 -6.228 -1.675 -4.065 1.00 0.61 C ATOM 1630 C GLY A 103 -5.494 -0.681 -4.932 1.00 0.54 C ATOM 1631 O GLY A 103 -6.082 0.160 -5.619 1.00 0.66 O ATOM 0 H GLY A 103 -7.736 -0.295 -3.609 1.00 0.54 H new ATOM 0 HA2 GLY A 103 -5.506 -2.233 -3.469 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -6.741 -2.396 -4.702 1.00 0.61 H new ATOM 1635 N LEU A 104 -4.216 -0.814 -4.969 1.00 0.53 N ATOM 1636 CA LEU A 104 -3.400 0.204 -5.599 1.00 0.50 C ATOM 1637 C LEU A 104 -2.589 -0.396 -6.710 1.00 0.59 C ATOM 1638 O LEU A 104 -2.117 -1.523 -6.597 1.00 0.92 O ATOM 1639 CB LEU A 104 -2.506 0.939 -4.587 1.00 0.77 C ATOM 1640 CG LEU A 104 -1.918 0.129 -3.423 1.00 1.07 C ATOM 1641 CD1 LEU A 104 -1.186 -1.088 -3.910 1.00 1.62 C ATOM 1642 CD2 LEU A 104 -0.969 0.994 -2.615 1.00 1.27 C ATOM 0 H LEU A 104 -3.701 -1.604 -4.579 1.00 0.53 H new ATOM 0 HA LEU A 104 -4.070 0.953 -6.022 1.00 0.50 H new ATOM 0 HB2 LEU A 104 -1.677 1.385 -5.136 1.00 0.77 H new ATOM 0 HB3 LEU A 104 -3.085 1.759 -4.164 1.00 0.77 H new ATOM 0 HG LEU A 104 -2.749 -0.198 -2.797 1.00 1.07 H new ATOM 0 HD11 LEU A 104 -0.784 -1.636 -3.058 1.00 1.62 H new ATOM 0 HD12 LEU A 104 -1.873 -1.729 -4.462 1.00 1.62 H new ATOM 0 HD13 LEU A 104 -0.369 -0.784 -4.564 1.00 1.62 H new ATOM 0 HD21 LEU A 104 -0.557 0.411 -1.792 1.00 1.27 H new ATOM 0 HD22 LEU A 104 -0.158 1.341 -3.256 1.00 1.27 H new ATOM 0 HD23 LEU A 104 -1.509 1.853 -2.217 1.00 1.27 H new ATOM 1654 N LYS A 105 -2.411 0.329 -7.794 1.00 0.49 N ATOM 1655 CA LYS A 105 -1.729 -0.301 -8.903 1.00 0.54 C ATOM 1656 C LYS A 105 -0.268 0.023 -8.834 1.00 0.49 C ATOM 1657 O LYS A 105 0.193 0.993 -9.381 1.00 0.55 O ATOM 1658 CB LYS A 105 -2.339 0.170 -10.233 1.00 0.70 C ATOM 1659 CG LYS A 105 -2.582 -0.937 -11.250 1.00 0.94 C ATOM 1660 CD LYS A 105 -1.287 -1.557 -11.744 1.00 1.55 C ATOM 1661 CE LYS A 105 -1.545 -2.654 -12.767 1.00 1.97 C ATOM 1662 NZ LYS A 105 -2.195 -2.135 -14.001 1.00 2.09 N ATOM 0 H LYS A 105 -2.708 1.295 -7.930 1.00 0.49 H new ATOM 0 HA LYS A 105 -1.850 -1.383 -8.844 1.00 0.54 H new ATOM 0 HB2 LYS A 105 -3.286 0.669 -10.026 1.00 0.70 H new ATOM 0 HB3 LYS A 105 -1.677 0.914 -10.677 1.00 0.70 H new ATOM 0 HG2 LYS A 105 -3.205 -1.710 -10.801 1.00 0.94 H new ATOM 0 HG3 LYS A 105 -3.136 -0.534 -12.098 1.00 0.94 H new ATOM 0 HD2 LYS A 105 -0.660 -0.784 -12.189 1.00 1.55 H new ATOM 0 HD3 LYS A 105 -0.735 -1.969 -10.899 1.00 1.55 H new ATOM 0 HE2 LYS A 105 -0.601 -3.132 -13.030 1.00 1.97 H new ATOM 0 HE3 LYS A 105 -2.178 -3.422 -12.321 1.00 1.97 H new ATOM 0 HZ1 LYS A 105 -1.748 -2.565 -14.836 1.00 2.09 H new ATOM 0 HZ2 LYS A 105 -3.207 -2.375 -13.988 1.00 2.09 H new ATOM 0 HZ3 LYS A 105 -2.085 -1.102 -14.043 1.00 2.09 H new ATOM 1676 N LYS A 106 0.485 -0.893 -8.284 1.00 0.46 N ATOM 1677 CA LYS A 106 1.904 -0.679 -8.164 1.00 0.44 C ATOM 1678 C LYS A 106 2.564 -0.887 -9.500 1.00 0.44 C ATOM 1679 O LYS A 106 3.656 -0.409 -9.743 1.00 0.46 O ATOM 1680 CB LYS A 106 2.534 -1.572 -7.082 1.00 0.51 C ATOM 1681 CG LYS A 106 2.545 -3.068 -7.385 1.00 0.81 C ATOM 1682 CD LYS A 106 3.617 -3.436 -8.396 1.00 1.11 C ATOM 1683 CE LYS A 106 3.723 -4.931 -8.613 1.00 1.02 C ATOM 1684 NZ LYS A 106 4.251 -5.622 -7.416 1.00 1.57 N ATOM 0 H LYS A 106 0.147 -1.782 -7.917 1.00 0.46 H new ATOM 0 HA LYS A 106 2.067 0.351 -7.846 1.00 0.44 H new ATOM 0 HB2 LYS A 106 3.561 -1.245 -6.919 1.00 0.51 H new ATOM 0 HB3 LYS A 106 1.997 -1.413 -6.147 1.00 0.51 H new ATOM 0 HG2 LYS A 106 2.711 -3.624 -6.462 1.00 0.81 H new ATOM 0 HG3 LYS A 106 1.569 -3.368 -7.766 1.00 0.81 H new ATOM 0 HD2 LYS A 106 3.398 -2.949 -9.346 1.00 1.11 H new ATOM 0 HD3 LYS A 106 4.579 -3.053 -8.056 1.00 1.11 H new ATOM 0 HE2 LYS A 106 2.741 -5.333 -8.862 1.00 1.02 H new ATOM 0 HE3 LYS A 106 4.374 -5.130 -9.465 1.00 1.02 H new ATOM 0 HZ1 LYS A 106 4.702 -6.515 -7.701 1.00 1.57 H new ATOM 0 HZ2 LYS A 106 4.952 -5.015 -6.946 1.00 1.57 H new ATOM 0 HZ3 LYS A 106 3.471 -5.823 -6.758 1.00 1.57 H new ATOM 1698 N ASN A 107 1.929 -1.628 -10.386 1.00 0.50 N ATOM 1699 CA ASN A 107 2.557 -1.826 -11.667 1.00 0.56 C ATOM 1700 C ASN A 107 2.450 -0.526 -12.464 1.00 0.60 C ATOM 1701 O ASN A 107 3.142 -0.327 -13.461 1.00 0.70 O ATOM 1702 CB ASN A 107 1.897 -3.005 -12.402 1.00 0.67 C ATOM 1703 CG ASN A 107 2.226 -3.064 -13.884 1.00 1.47 C ATOM 1704 OD1 ASN A 107 1.481 -2.543 -14.711 1.00 2.40 O ATOM 1705 ND2 ASN A 107 3.334 -3.699 -14.233 1.00 1.84 N ATOM 0 H ASN A 107 1.025 -2.081 -10.251 1.00 0.50 H new ATOM 0 HA ASN A 107 3.611 -2.076 -11.543 1.00 0.56 H new ATOM 0 HB2 ASN A 107 2.212 -3.937 -11.932 1.00 0.67 H new ATOM 0 HB3 ASN A 107 0.816 -2.937 -12.282 1.00 0.67 H new ATOM 0 HD21 ASN A 107 3.594 -3.768 -15.217 1.00 1.84 H new ATOM 0 HD22 ASN A 107 3.928 -4.119 -13.518 1.00 1.84 H new ATOM 1712 N GLY A 108 1.615 0.380 -11.957 1.00 0.56 N ATOM 1713 CA GLY A 108 1.564 1.739 -12.444 1.00 0.65 C ATOM 1714 C GLY A 108 1.796 2.732 -11.329 1.00 0.60 C ATOM 1715 O GLY A 108 2.919 3.059 -10.951 1.00 0.71 O ATOM 0 H GLY A 108 0.961 0.184 -11.200 1.00 0.56 H new ATOM 0 HA2 GLY A 108 2.317 1.878 -13.220 1.00 0.65 H new ATOM 0 HA3 GLY A 108 0.594 1.926 -12.904 1.00 0.65 H new ATOM 1719 N SER A 109 0.667 3.056 -10.721 1.00 0.53 N ATOM 1720 CA SER A 109 0.512 4.086 -9.722 1.00 0.64 C ATOM 1721 C SER A 109 -0.725 3.719 -8.903 1.00 0.54 C ATOM 1722 O SER A 109 -1.606 3.005 -9.391 1.00 0.54 O ATOM 1723 CB SER A 109 0.349 5.454 -10.389 1.00 0.93 C ATOM 1724 OG SER A 109 -0.579 5.389 -11.460 1.00 1.50 O ATOM 0 H SER A 109 -0.210 2.578 -10.926 1.00 0.53 H new ATOM 0 HA SER A 109 1.390 4.151 -9.079 1.00 0.64 H new ATOM 0 HB2 SER A 109 0.010 6.183 -9.653 1.00 0.93 H new ATOM 0 HB3 SER A 109 1.314 5.799 -10.760 1.00 0.93 H new ATOM 0 HG SER A 109 -0.668 6.275 -11.870 1.00 1.50 H new ATOM 1730 N CYS A 110 -0.805 4.167 -7.677 1.00 0.76 N ATOM 1731 CA CYS A 110 -1.816 3.648 -6.784 1.00 0.82 C ATOM 1732 C CYS A 110 -3.108 4.443 -6.795 1.00 0.66 C ATOM 1733 O CYS A 110 -3.148 5.580 -6.377 1.00 1.17 O ATOM 1734 CB CYS A 110 -1.210 3.682 -5.418 1.00 1.35 C ATOM 1735 SG CYS A 110 0.178 2.569 -5.278 1.00 2.32 S ATOM 0 H CYS A 110 -0.194 4.879 -7.276 1.00 0.76 H new ATOM 0 HA CYS A 110 -2.097 2.644 -7.104 1.00 0.82 H new ATOM 0 HB2 CYS A 110 -0.886 4.697 -5.190 1.00 1.35 H new ATOM 0 HB3 CYS A 110 -1.965 3.415 -4.679 1.00 1.35 H new ATOM 0 HG CYS A 110 1.286 3.245 -5.358 1.00 2.32 H new ATOM 1741 N LYS A 111 -4.166 3.816 -7.289 1.00 0.72 N ATOM 1742 CA LYS A 111 -5.485 4.396 -7.276 1.00 1.00 C ATOM 1743 C LYS A 111 -6.389 3.424 -6.575 1.00 0.75 C ATOM 1744 O LYS A 111 -6.599 2.346 -7.126 1.00 1.56 O ATOM 1745 CB LYS A 111 -6.003 4.613 -8.696 1.00 2.13 C ATOM 1746 CG LYS A 111 -4.943 5.010 -9.710 1.00 2.53 C ATOM 1747 CD LYS A 111 -4.310 3.800 -10.388 1.00 2.18 C ATOM 1748 CE LYS A 111 -3.942 4.116 -11.830 1.00 3.01 C ATOM 1749 NZ LYS A 111 -3.191 5.395 -11.960 1.00 3.59 N ATOM 0 H LYS A 111 -4.125 2.888 -7.710 1.00 0.72 H new ATOM 0 HA LYS A 111 -5.457 5.363 -6.773 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -6.485 3.696 -9.036 1.00 2.13 H new ATOM 0 HB3 LYS A 111 -6.771 5.386 -8.673 1.00 2.13 H new ATOM 0 HG2 LYS A 111 -5.390 5.655 -10.466 1.00 2.53 H new ATOM 0 HG3 LYS A 111 -4.167 5.592 -9.213 1.00 2.53 H new ATOM 0 HD2 LYS A 111 -3.419 3.496 -9.839 1.00 2.18 H new ATOM 0 HD3 LYS A 111 -5.003 2.959 -10.361 1.00 2.18 H new ATOM 0 HE2 LYS A 111 -3.340 3.302 -12.235 1.00 3.01 H new ATOM 0 HE3 LYS A 111 -4.850 4.169 -12.430 1.00 3.01 H new ATOM 0 HZ1 LYS A 111 -2.994 5.581 -12.964 1.00 3.59 H new ATOM 0 HZ2 LYS A 111 -3.760 6.173 -11.569 1.00 3.59 H new ATOM 0 HZ3 LYS A 111 -2.294 5.325 -11.438 1.00 3.59 H new ATOM 1763 N ARG A 112 -6.962 3.716 -5.428 1.00 0.95 N ATOM 1764 CA ARG A 112 -7.842 2.703 -4.898 1.00 1.36 C ATOM 1765 C ARG A 112 -9.181 3.243 -4.438 1.00 1.14 C ATOM 1766 O ARG A 112 -9.411 3.371 -3.250 1.00 1.79 O ATOM 1767 CB ARG A 112 -7.158 2.021 -3.708 1.00 2.63 C ATOM 1768 CG ARG A 112 -5.659 2.294 -3.578 1.00 3.07 C ATOM 1769 CD ARG A 112 -5.054 1.461 -2.451 1.00 4.09 C ATOM 1770 NE ARG A 112 -3.975 2.155 -1.744 1.00 4.81 N ATOM 1771 CZ ARG A 112 -3.438 1.731 -0.596 1.00 5.78 C ATOM 1772 NH1 ARG A 112 -3.831 0.582 -0.058 1.00 6.20 N ATOM 1773 NH2 ARG A 112 -2.495 2.455 0.004 1.00 6.59 N ATOM 0 H ARG A 112 -6.850 4.571 -4.884 1.00 0.95 H new ATOM 0 HA ARG A 112 -8.039 2.004 -5.710 1.00 1.36 H new ATOM 0 HB2 ARG A 112 -7.651 2.344 -2.791 1.00 2.63 H new ATOM 0 HB3 ARG A 112 -7.310 0.945 -3.789 1.00 2.63 H new ATOM 0 HG2 ARG A 112 -5.159 2.061 -4.518 1.00 3.07 H new ATOM 0 HG3 ARG A 112 -5.493 3.354 -3.383 1.00 3.07 H new ATOM 0 HD2 ARG A 112 -5.837 1.198 -1.740 1.00 4.09 H new ATOM 0 HD3 ARG A 112 -4.670 0.527 -2.862 1.00 4.09 H new ATOM 0 HE ARG A 112 -3.611 3.015 -2.153 1.00 4.81 H new ATOM 0 HH11 ARG A 112 -4.545 0.020 -0.521 1.00 6.20 H new ATOM 0 HH12 ARG A 112 -3.419 0.262 0.818 1.00 6.20 H new ATOM 0 HH21 ARG A 112 -2.183 3.332 -0.413 1.00 6.59 H new ATOM 0 HH22 ARG A 112 -2.085 2.132 0.880 1.00 6.59 H new ATOM 1787 N GLY A 113 -10.077 3.483 -5.392 1.00 0.81 N ATOM 1788 CA GLY A 113 -11.502 3.470 -5.118 1.00 0.76 C ATOM 1789 C GLY A 113 -12.253 2.435 -5.942 1.00 0.77 C ATOM 1790 O GLY A 113 -12.338 1.275 -5.570 1.00 0.80 O ATOM 0 H GLY A 113 -9.836 3.689 -6.362 1.00 0.81 H new ATOM 0 HA2 GLY A 113 -11.661 3.269 -4.059 1.00 0.76 H new ATOM 0 HA3 GLY A 113 -11.915 4.458 -5.321 1.00 0.76 H new ATOM 1794 N PRO A 114 -12.778 2.839 -7.111 1.00 0.90 N ATOM 1795 CA PRO A 114 -13.694 2.011 -7.916 1.00 1.07 C ATOM 1796 C PRO A 114 -13.123 0.656 -8.362 1.00 0.90 C ATOM 1797 O PRO A 114 -13.830 -0.351 -8.341 1.00 1.05 O ATOM 1798 CB PRO A 114 -13.986 2.884 -9.143 1.00 1.40 C ATOM 1799 CG PRO A 114 -13.661 4.274 -8.718 1.00 1.38 C ATOM 1800 CD PRO A 114 -12.532 4.148 -7.739 1.00 1.03 C ATOM 0 HA PRO A 114 -14.568 1.740 -7.324 1.00 1.07 H new ATOM 0 HB2 PRO A 114 -13.379 2.581 -9.996 1.00 1.40 H new ATOM 0 HB3 PRO A 114 -15.029 2.799 -9.448 1.00 1.40 H new ATOM 0 HG2 PRO A 114 -13.372 4.887 -9.572 1.00 1.38 H new ATOM 0 HG3 PRO A 114 -14.525 4.755 -8.259 1.00 1.38 H new ATOM 0 HD2 PRO A 114 -11.562 4.181 -8.236 1.00 1.03 H new ATOM 0 HD3 PRO A 114 -12.542 4.955 -7.006 1.00 1.03 H new ATOM 1808 N ARG A 115 -11.848 0.610 -8.735 1.00 0.72 N ATOM 1809 CA ARG A 115 -11.293 -0.584 -9.373 1.00 0.74 C ATOM 1810 C ARG A 115 -10.656 -1.511 -8.350 1.00 0.69 C ATOM 1811 O ARG A 115 -9.887 -2.405 -8.698 1.00 0.86 O ATOM 1812 CB ARG A 115 -10.272 -0.219 -10.467 1.00 0.96 C ATOM 1813 CG ARG A 115 -9.040 0.543 -9.983 1.00 1.39 C ATOM 1814 CD ARG A 115 -9.339 2.008 -9.700 1.00 1.63 C ATOM 1815 NE ARG A 115 -9.956 2.677 -10.847 1.00 1.81 N ATOM 1816 CZ ARG A 115 -9.501 3.814 -11.386 1.00 2.32 C ATOM 1817 NH1 ARG A 115 -8.408 4.390 -10.902 1.00 2.92 N ATOM 1818 NH2 ARG A 115 -10.129 4.365 -12.417 1.00 2.62 N ATOM 0 H ARG A 115 -11.184 1.374 -8.610 1.00 0.72 H new ATOM 0 HA ARG A 115 -12.124 -1.108 -9.845 1.00 0.74 H new ATOM 0 HB2 ARG A 115 -9.943 -1.137 -10.954 1.00 0.96 H new ATOM 0 HB3 ARG A 115 -10.775 0.381 -11.225 1.00 0.96 H new ATOM 0 HG2 ARG A 115 -8.657 0.072 -9.078 1.00 1.39 H new ATOM 0 HG3 ARG A 115 -8.254 0.474 -10.735 1.00 1.39 H new ATOM 0 HD2 ARG A 115 -10.002 2.082 -8.838 1.00 1.63 H new ATOM 0 HD3 ARG A 115 -8.415 2.522 -9.436 1.00 1.63 H new ATOM 0 HE ARG A 115 -10.784 2.250 -11.261 1.00 1.81 H new ATOM 0 HH11 ARG A 115 -7.913 3.966 -10.117 1.00 2.92 H new ATOM 0 HH12 ARG A 115 -8.063 5.257 -11.314 1.00 2.92 H new ATOM 0 HH21 ARG A 115 -10.963 3.922 -12.802 1.00 2.62 H new ATOM 0 HH22 ARG A 115 -9.778 5.232 -12.824 1.00 2.62 H new ATOM 1832 N THR A 116 -10.988 -1.297 -7.089 1.00 0.61 N ATOM 1833 CA THR A 116 -10.446 -2.094 -6.002 1.00 0.75 C ATOM 1834 C THR A 116 -11.197 -3.390 -5.808 1.00 0.85 C ATOM 1835 O THR A 116 -10.783 -4.287 -5.081 1.00 1.23 O ATOM 1836 CB THR A 116 -10.546 -1.311 -4.742 1.00 0.93 C ATOM 1837 OG1 THR A 116 -11.917 -0.961 -4.514 1.00 0.93 O ATOM 1838 CG2 THR A 116 -9.684 -0.069 -4.841 1.00 1.13 C ATOM 0 H THR A 116 -11.638 -0.570 -6.790 1.00 0.61 H new ATOM 0 HA THR A 116 -9.413 -2.333 -6.253 1.00 0.75 H new ATOM 0 HB THR A 116 -10.189 -1.909 -3.903 1.00 0.93 H new ATOM 0 HG1 THR A 116 -12.024 0.010 -4.589 1.00 0.93 H new ATOM 0 HG21 THR A 116 -9.760 0.502 -3.915 1.00 1.13 H new ATOM 0 HG22 THR A 116 -8.646 -0.359 -5.004 1.00 1.13 H new ATOM 0 HG23 THR A 116 -10.025 0.545 -5.675 1.00 1.13 H new ATOM 1846 N HIS A 117 -12.301 -3.456 -6.479 1.00 0.70 N ATOM 1847 CA HIS A 117 -13.096 -4.627 -6.565 1.00 0.77 C ATOM 1848 C HIS A 117 -12.355 -5.472 -7.549 1.00 0.68 C ATOM 1849 O HIS A 117 -11.238 -5.117 -7.942 1.00 0.61 O ATOM 1850 CB HIS A 117 -14.542 -4.308 -7.011 1.00 0.89 C ATOM 1851 CG HIS A 117 -14.735 -4.036 -8.479 1.00 1.23 C ATOM 1852 ND1 HIS A 117 -14.586 -2.791 -9.053 1.00 1.92 N ATOM 1853 CD2 HIS A 117 -15.095 -4.867 -9.486 1.00 2.10 C ATOM 1854 CE1 HIS A 117 -14.846 -2.873 -10.345 1.00 2.75 C ATOM 1855 NE2 HIS A 117 -15.158 -4.121 -10.634 1.00 2.85 N ATOM 0 H HIS A 117 -12.683 -2.666 -6.999 1.00 0.70 H new ATOM 0 HA HIS A 117 -13.227 -5.131 -5.607 1.00 0.77 H new ATOM 0 HB2 HIS A 117 -15.181 -5.145 -6.730 1.00 0.89 H new ATOM 0 HB3 HIS A 117 -14.890 -3.440 -6.452 1.00 0.89 H new ATOM 0 HD1 HIS A 117 -14.317 -1.941 -8.558 1.00 1.92 H new ATOM 0 HD2 HIS A 117 -15.296 -5.925 -9.400 1.00 2.10 H new ATOM 0 HE1 HIS A 117 -14.809 -2.054 -11.048 1.00 2.75 H new ATOM 1864 N TYR A 118 -12.891 -6.559 -7.967 1.00 0.73 N ATOM 1865 CA TYR A 118 -12.107 -7.364 -8.839 1.00 0.69 C ATOM 1866 C TYR A 118 -12.236 -6.792 -10.239 1.00 0.68 C ATOM 1867 O TYR A 118 -13.014 -7.230 -11.087 1.00 0.77 O ATOM 1868 CB TYR A 118 -12.664 -8.755 -8.707 1.00 0.78 C ATOM 1869 CG TYR A 118 -11.949 -9.836 -9.484 1.00 1.42 C ATOM 1870 CD1 TYR A 118 -10.644 -10.181 -9.159 1.00 2.33 C ATOM 1871 CD2 TYR A 118 -12.561 -10.496 -10.542 1.00 1.90 C ATOM 1872 CE1 TYR A 118 -9.967 -11.150 -9.864 1.00 3.13 C ATOM 1873 CE2 TYR A 118 -11.887 -11.474 -11.252 1.00 2.72 C ATOM 1874 CZ TYR A 118 -10.680 -11.846 -10.916 1.00 3.19 C ATOM 1875 OH TYR A 118 -9.907 -12.761 -11.608 1.00 4.11 O ATOM 0 H TYR A 118 -13.823 -6.904 -7.737 1.00 0.73 H new ATOM 0 HA TYR A 118 -11.043 -7.383 -8.605 1.00 0.69 H new ATOM 0 HB2 TYR A 118 -12.656 -9.029 -7.652 1.00 0.78 H new ATOM 0 HB3 TYR A 118 -13.707 -8.738 -9.024 1.00 0.78 H new ATOM 0 HD1 TYR A 118 -10.151 -9.680 -8.339 1.00 2.33 H new ATOM 0 HD2 TYR A 118 -13.575 -10.243 -10.814 1.00 1.90 H new ATOM 0 HE1 TYR A 118 -8.937 -11.384 -9.640 1.00 3.13 H new ATOM 0 HE2 TYR A 118 -12.368 -11.939 -12.100 1.00 2.72 H new ATOM 0 HH TYR A 118 -10.451 -13.192 -12.300 1.00 4.11 H new ATOM 1885 N GLY A 119 -11.430 -5.747 -10.395 1.00 0.62 N ATOM 1886 CA GLY A 119 -11.179 -5.072 -11.632 1.00 0.65 C ATOM 1887 C GLY A 119 -9.745 -5.285 -12.041 1.00 0.65 C ATOM 1888 O GLY A 119 -9.411 -5.452 -13.213 1.00 0.73 O ATOM 0 H GLY A 119 -10.916 -5.339 -9.614 1.00 0.62 H new ATOM 0 HA2 GLY A 119 -11.848 -5.448 -12.406 1.00 0.65 H new ATOM 0 HA3 GLY A 119 -11.383 -4.007 -11.525 1.00 0.65 H new ATOM 1892 N GLN A 120 -8.903 -5.280 -11.008 1.00 0.60 N ATOM 1893 CA GLN A 120 -7.465 -5.148 -11.149 1.00 0.64 C ATOM 1894 C GLN A 120 -6.759 -6.190 -10.275 1.00 0.62 C ATOM 1895 O GLN A 120 -7.272 -6.575 -9.228 1.00 0.56 O ATOM 1896 CB GLN A 120 -7.080 -3.736 -10.679 1.00 0.67 C ATOM 1897 CG GLN A 120 -5.810 -3.180 -11.307 1.00 1.05 C ATOM 1898 CD GLN A 120 -5.935 -2.926 -12.797 1.00 1.50 C ATOM 1899 OE1 GLN A 120 -4.949 -3.003 -13.530 1.00 2.19 O ATOM 1900 NE2 GLN A 120 -7.136 -2.608 -13.255 1.00 2.13 N ATOM 0 H GLN A 120 -9.211 -5.369 -10.040 1.00 0.60 H new ATOM 0 HA GLN A 120 -7.167 -5.305 -12.186 1.00 0.64 H new ATOM 0 HB2 GLN A 120 -7.904 -3.058 -10.898 1.00 0.67 H new ATOM 0 HB3 GLN A 120 -6.958 -3.749 -9.596 1.00 0.67 H new ATOM 0 HG2 GLN A 120 -5.545 -2.248 -10.808 1.00 1.05 H new ATOM 0 HG3 GLN A 120 -4.992 -3.878 -11.133 1.00 1.05 H new ATOM 0 HE21 GLN A 120 -7.928 -2.555 -12.615 1.00 2.13 H new ATOM 0 HE22 GLN A 120 -7.269 -2.416 -14.248 1.00 2.13 H new ATOM 1909 N LYS A 121 -5.581 -6.640 -10.689 1.00 0.75 N ATOM 1910 CA LYS A 121 -4.811 -7.573 -9.869 1.00 0.78 C ATOM 1911 C LYS A 121 -3.910 -6.793 -8.929 1.00 0.70 C ATOM 1912 O LYS A 121 -3.111 -7.354 -8.183 1.00 0.75 O ATOM 1913 CB LYS A 121 -3.971 -8.523 -10.731 1.00 1.06 C ATOM 1914 CG LYS A 121 -3.512 -9.771 -9.987 1.00 1.43 C ATOM 1915 CD LYS A 121 -2.740 -10.722 -10.889 1.00 1.94 C ATOM 1916 CE LYS A 121 -3.612 -11.275 -12.008 1.00 2.28 C ATOM 1917 NZ LYS A 121 -4.818 -11.974 -11.488 1.00 2.85 N ATOM 0 H LYS A 121 -5.142 -6.381 -11.572 1.00 0.75 H new ATOM 0 HA LYS A 121 -5.511 -8.180 -9.295 1.00 0.78 H new ATOM 0 HB2 LYS A 121 -4.554 -8.822 -11.602 1.00 1.06 H new ATOM 0 HB3 LYS A 121 -3.097 -7.988 -11.101 1.00 1.06 H new ATOM 0 HG2 LYS A 121 -2.884 -9.480 -9.145 1.00 1.43 H new ATOM 0 HG3 LYS A 121 -4.379 -10.287 -9.575 1.00 1.43 H new ATOM 0 HD2 LYS A 121 -1.885 -10.201 -11.319 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -2.345 -11.546 -10.295 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -3.921 -10.460 -12.662 1.00 2.28 H new ATOM 0 HE3 LYS A 121 -3.027 -11.966 -12.614 1.00 2.28 H new ATOM 0 HZ1 LYS A 121 -5.242 -12.545 -12.247 1.00 2.85 H new ATOM 0 HZ2 LYS A 121 -4.546 -12.594 -10.698 1.00 2.85 H new ATOM 0 HZ3 LYS A 121 -5.509 -11.272 -11.155 1.00 2.85 H new ATOM 1931 N ALA A 122 -4.064 -5.483 -8.974 1.00 0.67 N ATOM 1932 CA ALA A 122 -3.368 -4.594 -8.069 1.00 0.72 C ATOM 1933 C ALA A 122 -4.011 -4.662 -6.690 1.00 0.54 C ATOM 1934 O ALA A 122 -3.567 -4.019 -5.735 1.00 0.59 O ATOM 1935 CB ALA A 122 -3.415 -3.186 -8.621 1.00 0.92 C ATOM 0 H ALA A 122 -4.675 -5.008 -9.639 1.00 0.67 H new ATOM 0 HA ALA A 122 -2.325 -4.897 -7.974 1.00 0.72 H new ATOM 0 HB1 ALA A 122 -2.892 -2.512 -7.943 1.00 0.92 H new ATOM 0 HB2 ALA A 122 -2.934 -3.162 -9.599 1.00 0.92 H new ATOM 0 HB3 ALA A 122 -4.453 -2.868 -8.719 1.00 0.92 H new ATOM 1941 N ILE A 123 -5.086 -5.437 -6.620 1.00 0.44 N ATOM 1942 CA ILE A 123 -5.803 -5.663 -5.382 1.00 0.44 C ATOM 1943 C ILE A 123 -5.244 -6.902 -4.667 1.00 0.40 C ATOM 1944 O ILE A 123 -5.715 -7.279 -3.591 1.00 0.49 O ATOM 1945 CB ILE A 123 -7.312 -5.868 -5.661 1.00 0.54 C ATOM 1946 CG1 ILE A 123 -7.791 -4.959 -6.798 1.00 0.83 C ATOM 1947 CG2 ILE A 123 -8.141 -5.609 -4.409 1.00 0.83 C ATOM 1948 CD1 ILE A 123 -7.571 -3.484 -6.556 1.00 1.37 C ATOM 0 H ILE A 123 -5.482 -5.925 -7.424 1.00 0.44 H new ATOM 0 HA ILE A 123 -5.674 -4.788 -4.745 1.00 0.44 H new ATOM 0 HB ILE A 123 -7.449 -6.907 -5.962 1.00 0.54 H new ATOM 0 HG12 ILE A 123 -7.277 -5.244 -7.716 1.00 0.83 H new ATOM 0 HG13 ILE A 123 -8.855 -5.133 -6.962 1.00 0.83 H new ATOM 0 HG21 ILE A 123 -9.197 -5.760 -4.634 1.00 0.83 H new ATOM 0 HG22 ILE A 123 -7.835 -6.298 -3.621 1.00 0.83 H new ATOM 0 HG23 ILE A 123 -7.985 -4.583 -4.075 1.00 0.83 H new ATOM 0 HD11 ILE A 123 -7.939 -2.916 -7.411 1.00 1.37 H new ATOM 0 HD12 ILE A 123 -8.109 -3.178 -5.658 1.00 1.37 H new ATOM 0 HD13 ILE A 123 -6.506 -3.292 -6.424 1.00 1.37 H new ATOM 1960 N LEU A 124 -4.231 -7.536 -5.264 1.00 0.38 N ATOM 1961 CA LEU A 124 -3.608 -8.707 -4.653 1.00 0.43 C ATOM 1962 C LEU A 124 -2.224 -8.343 -4.134 1.00 0.37 C ATOM 1963 O LEU A 124 -1.251 -8.340 -4.895 1.00 0.46 O ATOM 1964 CB LEU A 124 -3.512 -9.874 -5.650 1.00 0.63 C ATOM 1965 CG LEU A 124 -4.826 -10.605 -5.969 1.00 1.21 C ATOM 1966 CD1 LEU A 124 -5.535 -11.023 -4.689 1.00 1.77 C ATOM 1967 CD2 LEU A 124 -5.739 -9.752 -6.837 1.00 1.83 C ATOM 0 H LEU A 124 -3.830 -7.260 -6.160 1.00 0.38 H new ATOM 0 HA LEU A 124 -4.233 -9.031 -3.821 1.00 0.43 H new ATOM 0 HB2 LEU A 124 -3.096 -9.494 -6.583 1.00 0.63 H new ATOM 0 HB3 LEU A 124 -2.802 -10.602 -5.258 1.00 0.63 H new ATOM 0 HG LEU A 124 -4.577 -11.504 -6.533 1.00 1.21 H new ATOM 0 HD11 LEU A 124 -6.462 -11.539 -4.938 1.00 1.77 H new ATOM 0 HD12 LEU A 124 -4.891 -11.691 -4.118 1.00 1.77 H new ATOM 0 HD13 LEU A 124 -5.760 -10.139 -4.093 1.00 1.77 H new ATOM 0 HD21 LEU A 124 -6.659 -10.298 -7.044 1.00 1.83 H new ATOM 0 HD22 LEU A 124 -5.977 -8.826 -6.314 1.00 1.83 H new ATOM 0 HD23 LEU A 124 -5.236 -9.520 -7.776 1.00 1.83 H new ATOM 1979 N PHE A 125 -2.132 -8.084 -2.830 1.00 0.37 N ATOM 1980 CA PHE A 125 -0.946 -7.468 -2.249 1.00 0.45 C ATOM 1981 C PHE A 125 0.037 -8.486 -1.698 1.00 0.36 C ATOM 1982 O PHE A 125 -0.343 -9.546 -1.191 1.00 0.51 O ATOM 1983 CB PHE A 125 -1.342 -6.545 -1.088 1.00 0.81 C ATOM 1984 CG PHE A 125 -2.187 -5.358 -1.451 1.00 0.60 C ATOM 1985 CD1 PHE A 125 -3.479 -5.516 -1.924 1.00 1.05 C ATOM 1986 CD2 PHE A 125 -1.696 -4.076 -1.278 1.00 1.00 C ATOM 1987 CE1 PHE A 125 -4.259 -4.419 -2.226 1.00 1.18 C ATOM 1988 CE2 PHE A 125 -2.471 -2.975 -1.582 1.00 1.05 C ATOM 1989 CZ PHE A 125 -3.754 -3.147 -2.055 1.00 0.85 C ATOM 0 H PHE A 125 -2.869 -8.293 -2.156 1.00 0.37 H new ATOM 0 HA PHE A 125 -0.469 -6.915 -3.058 1.00 0.45 H new ATOM 0 HB2 PHE A 125 -1.880 -7.136 -0.347 1.00 0.81 H new ATOM 0 HB3 PHE A 125 -0.431 -6.185 -0.609 1.00 0.81 H new ATOM 0 HD1 PHE A 125 -3.881 -6.510 -2.058 1.00 1.05 H new ATOM 0 HD2 PHE A 125 -0.694 -3.935 -0.900 1.00 1.00 H new ATOM 0 HE1 PHE A 125 -5.264 -4.556 -2.596 1.00 1.18 H new ATOM 0 HE2 PHE A 125 -2.072 -1.980 -1.449 1.00 1.05 H new ATOM 0 HZ PHE A 125 -4.363 -2.287 -2.291 1.00 0.85 H new ATOM 1999 N LEU A 126 1.307 -8.130 -1.809 1.00 0.36 N ATOM 2000 CA LEU A 126 2.385 -8.862 -1.184 1.00 0.49 C ATOM 2001 C LEU A 126 3.324 -7.857 -0.526 1.00 0.48 C ATOM 2002 O LEU A 126 3.895 -6.998 -1.201 1.00 0.49 O ATOM 2003 CB LEU A 126 3.137 -9.703 -2.219 1.00 0.68 C ATOM 2004 CG LEU A 126 4.276 -10.556 -1.661 1.00 1.22 C ATOM 2005 CD1 LEU A 126 3.739 -11.610 -0.704 1.00 1.98 C ATOM 2006 CD2 LEU A 126 5.053 -11.207 -2.792 1.00 1.96 C ATOM 0 H LEU A 126 1.616 -7.317 -2.341 1.00 0.36 H new ATOM 0 HA LEU A 126 1.985 -9.545 -0.434 1.00 0.49 H new ATOM 0 HB2 LEU A 126 2.424 -10.359 -2.718 1.00 0.68 H new ATOM 0 HB3 LEU A 126 3.543 -9.036 -2.980 1.00 0.68 H new ATOM 0 HG LEU A 126 4.953 -9.906 -1.106 1.00 1.22 H new ATOM 0 HD11 LEU A 126 4.566 -12.206 -0.318 1.00 1.98 H new ATOM 0 HD12 LEU A 126 3.226 -11.122 0.125 1.00 1.98 H new ATOM 0 HD13 LEU A 126 3.040 -12.258 -1.232 1.00 1.98 H new ATOM 0 HD21 LEU A 126 5.861 -11.811 -2.378 1.00 1.96 H new ATOM 0 HD22 LEU A 126 4.385 -11.843 -3.373 1.00 1.96 H new ATOM 0 HD23 LEU A 126 5.472 -10.435 -3.438 1.00 1.96 H new ATOM 2018 N PRO A 127 3.490 -7.933 0.795 1.00 0.54 N ATOM 2019 CA PRO A 127 4.308 -7.001 1.537 1.00 0.55 C ATOM 2020 C PRO A 127 5.653 -7.603 1.927 1.00 0.53 C ATOM 2021 O PRO A 127 5.740 -8.459 2.809 1.00 0.66 O ATOM 2022 CB PRO A 127 3.445 -6.765 2.779 1.00 0.72 C ATOM 2023 CG PRO A 127 2.620 -8.016 2.946 1.00 0.81 C ATOM 2024 CD PRO A 127 2.825 -8.864 1.706 1.00 0.68 C ATOM 0 HA PRO A 127 4.559 -6.102 0.975 1.00 0.55 H new ATOM 0 HB2 PRO A 127 4.064 -6.584 3.658 1.00 0.72 H new ATOM 0 HB3 PRO A 127 2.808 -5.890 2.653 1.00 0.72 H new ATOM 0 HG2 PRO A 127 2.926 -8.561 3.839 1.00 0.81 H new ATOM 0 HG3 PRO A 127 1.566 -7.767 3.071 1.00 0.81 H new ATOM 0 HD2 PRO A 127 3.439 -9.741 1.911 1.00 0.68 H new ATOM 0 HD3 PRO A 127 1.880 -9.225 1.300 1.00 0.68 H new ATOM 2032 N LEU A 128 6.703 -7.149 1.261 1.00 0.44 N ATOM 2033 CA LEU A 128 8.032 -7.692 1.489 1.00 0.46 C ATOM 2034 C LEU A 128 8.883 -6.692 2.253 1.00 0.39 C ATOM 2035 O LEU A 128 9.123 -5.587 1.780 1.00 0.39 O ATOM 2036 CB LEU A 128 8.704 -8.051 0.159 1.00 0.56 C ATOM 2037 CG LEU A 128 7.985 -9.119 -0.670 1.00 0.98 C ATOM 2038 CD1 LEU A 128 8.704 -9.337 -1.992 1.00 1.34 C ATOM 2039 CD2 LEU A 128 7.893 -10.425 0.106 1.00 1.47 C ATOM 0 H LEU A 128 6.661 -6.409 0.561 1.00 0.44 H new ATOM 0 HA LEU A 128 7.936 -8.601 2.083 1.00 0.46 H new ATOM 0 HB2 LEU A 128 8.790 -7.146 -0.442 1.00 0.56 H new ATOM 0 HB3 LEU A 128 9.718 -8.395 0.364 1.00 0.56 H new ATOM 0 HG LEU A 128 6.974 -8.770 -0.879 1.00 0.98 H new ATOM 0 HD11 LEU A 128 8.181 -10.099 -2.570 1.00 1.34 H new ATOM 0 HD12 LEU A 128 8.722 -8.404 -2.555 1.00 1.34 H new ATOM 0 HD13 LEU A 128 9.726 -9.665 -1.801 1.00 1.34 H new ATOM 0 HD21 LEU A 128 7.379 -11.172 -0.499 1.00 1.47 H new ATOM 0 HD22 LEU A 128 8.896 -10.778 0.344 1.00 1.47 H new ATOM 0 HD23 LEU A 128 7.338 -10.261 1.029 1.00 1.47 H new ATOM 2051 N PRO A 129 9.336 -7.060 3.450 1.00 0.41 N ATOM 2052 CA PRO A 129 10.154 -6.186 4.274 1.00 0.40 C ATOM 2053 C PRO A 129 11.635 -6.284 3.908 1.00 0.48 C ATOM 2054 O PRO A 129 12.104 -7.320 3.441 1.00 0.55 O ATOM 2055 CB PRO A 129 9.881 -6.707 5.682 1.00 0.48 C ATOM 2056 CG PRO A 129 9.557 -8.158 5.515 1.00 0.68 C ATOM 2057 CD PRO A 129 9.079 -8.355 4.098 1.00 0.53 C ATOM 0 HA PRO A 129 9.916 -5.129 4.152 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.749 -6.570 6.326 1.00 0.48 H new ATOM 0 HB3 PRO A 129 9.053 -6.171 6.145 1.00 0.48 H new ATOM 0 HG2 PRO A 129 10.436 -8.772 5.712 1.00 0.68 H new ATOM 0 HG3 PRO A 129 8.788 -8.464 6.225 1.00 0.68 H new ATOM 0 HD2 PRO A 129 9.619 -9.162 3.604 1.00 0.53 H new ATOM 0 HD3 PRO A 129 8.021 -8.614 4.067 1.00 0.53 H new ATOM 2065 N VAL A 130 12.353 -5.184 4.124 1.00 0.56 N ATOM 2066 CA VAL A 130 13.728 -5.025 3.634 1.00 0.76 C ATOM 2067 C VAL A 130 14.685 -6.082 4.191 1.00 0.97 C ATOM 2068 O VAL A 130 14.565 -6.528 5.332 1.00 1.03 O ATOM 2069 CB VAL A 130 14.285 -3.627 3.978 1.00 0.93 C ATOM 2070 CG1 VAL A 130 15.522 -3.309 3.149 1.00 1.43 C ATOM 2071 CG2 VAL A 130 13.224 -2.552 3.789 1.00 1.36 C ATOM 0 H VAL A 130 12.003 -4.378 4.642 1.00 0.56 H new ATOM 0 HA VAL A 130 13.670 -5.151 2.553 1.00 0.76 H new ATOM 0 HB VAL A 130 14.574 -3.638 5.029 1.00 0.93 H new ATOM 0 HG11 VAL A 130 15.892 -2.318 3.413 1.00 1.43 H new ATOM 0 HG12 VAL A 130 16.295 -4.051 3.350 1.00 1.43 H new ATOM 0 HG13 VAL A 130 15.265 -3.330 2.090 1.00 1.43 H new ATOM 0 HG21 VAL A 130 13.645 -1.578 4.039 1.00 1.36 H new ATOM 0 HG22 VAL A 130 12.891 -2.548 2.751 1.00 1.36 H new ATOM 0 HG23 VAL A 130 12.376 -2.759 4.442 1.00 1.36 H new ATOM 2081 N SER A 131 15.645 -6.446 3.361 1.00 1.27 N ATOM 2082 CA SER A 131 16.667 -7.430 3.691 1.00 1.65 C ATOM 2083 C SER A 131 17.843 -6.742 4.388 1.00 1.86 C ATOM 2084 O SER A 131 17.960 -5.517 4.357 1.00 1.88 O ATOM 2085 CB SER A 131 17.136 -8.132 2.410 1.00 2.07 C ATOM 2086 OG SER A 131 17.997 -9.224 2.693 1.00 2.32 O ATOM 0 H SER A 131 15.741 -6.061 2.421 1.00 1.27 H new ATOM 0 HA SER A 131 16.251 -8.176 4.368 1.00 1.65 H new ATOM 0 HB2 SER A 131 16.270 -8.487 1.852 1.00 2.07 H new ATOM 0 HB3 SER A 131 17.654 -7.416 1.772 1.00 2.07 H new ATOM 0 HG SER A 131 18.274 -9.648 1.854 1.00 2.32 H new ATOM 2092 N SER A 132 18.707 -7.526 5.029 1.00 2.21 N ATOM 2093 CA SER A 132 19.835 -6.975 5.763 1.00 2.54 C ATOM 2094 C SER A 132 21.039 -6.810 4.851 1.00 3.02 C ATOM 2095 O SER A 132 21.947 -7.644 4.823 1.00 3.59 O ATOM 2096 CB SER A 132 20.215 -7.891 6.929 1.00 2.98 C ATOM 2097 OG SER A 132 19.150 -8.030 7.851 1.00 2.97 O ATOM 0 H SER A 132 18.644 -8.544 5.053 1.00 2.21 H new ATOM 0 HA SER A 132 19.538 -6.000 6.148 1.00 2.54 H new ATOM 0 HB2 SER A 132 20.495 -8.872 6.545 1.00 2.98 H new ATOM 0 HB3 SER A 132 21.089 -7.487 7.440 1.00 2.98 H new ATOM 0 HG SER A 132 19.425 -8.622 8.582 1.00 2.97 H new ATOM 2103 N ASP A 133 21.026 -5.718 4.111 1.00 3.06 N ATOM 2104 CA ASP A 133 22.136 -5.352 3.250 1.00 3.74 C ATOM 2105 C ASP A 133 22.762 -4.062 3.745 1.00 3.96 C ATOM 2106 O ASP A 133 22.442 -2.989 3.191 1.00 4.33 O ATOM 2107 CB ASP A 133 21.678 -5.199 1.794 1.00 3.99 C ATOM 2108 CG ASP A 133 21.603 -6.524 1.065 1.00 4.66 C ATOM 2109 OD1 ASP A 133 22.643 -6.973 0.529 1.00 5.00 O ATOM 2110 OD2 ASP A 133 20.514 -7.136 1.030 1.00 5.12 O ATOM 2111 OXT ASP A 133 23.536 -4.118 4.724 1.00 4.10 O ATOM 0 H ASP A 133 20.247 -5.060 4.089 1.00 3.06 H new ATOM 0 HA ASP A 133 22.879 -6.149 3.284 1.00 3.74 H new ATOM 0 HB2 ASP A 133 20.699 -4.721 1.773 1.00 3.99 H new ATOM 0 HB3 ASP A 133 22.366 -4.538 1.268 1.00 3.99 H new TER 2116 ASP A 133