USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1101 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 82 ASN : amide:sc= -0.878 K(o=-2,f=-14!) USER MOD Set 1.2: A 83 ASN :FLIP amide:sc= -1.17 F(o=-7.6!,f=-2) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -0.214 K(o=-0.21,f=-6.4!) USER MOD Single : A 13 GLN :FLIP amide:sc= -0.982 F(o=-3.4!,f=-0.98) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -148:sc= -0.284 USER MOD Single : A 29 SER OG : rot 180:sc= -0.681 USER MOD Single : A 30 ASN :FLIP amide:sc= 0 F(o=-0.59,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.45) USER MOD Single : A 36 MET CE :methyl -170:sc= -0.654 (180deg=-0.866) USER MOD Single : A 37 ASN : amide:sc= -0.492 K(o=-0.49,f=-5.4!) USER MOD Single : A 45 SER OG : rot 71:sc= 0.874 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= 0.665 K(o=0.67,f=-2.1!) USER MOD Single : A 55 THR OG1 : rot -165:sc= -0.92! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -30:sc= 0.579 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0495 X(o=-0.05,f=-0.25) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 94 GLN : amide:sc= 0.376 X(o=0.38,f=-0.0055) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS :FLIP no HE2:sc= 0.211 F(o=-0.78,f=0.21) USER MOD Single : A 122 MET CE :methyl -138:sc= -3.24! (180deg=-5.92!) USER MOD Single : A 125 HIS : no HD1:sc= -2.56! C(o=-2.6!,f=-2.7!) USER MOD Single : A 128 SER OG : rot 85:sc= 0.687 USER MOD Single : A 130 ASN : amide:sc= -0.295 K(o=-0.29,f=-3.2!) USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 1.05 USER MOD Single : A 143 GLN : amide:sc= 0.486 K(o=0.49,f=-2.8!) USER MOD Single : A 144 GLN :FLIP amide:sc= -0.485 F(o=-1.8!,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 3 6.194 -3.385 18.343 1.00 2.41 N ATOM 45 CA VAL A 3 7.016 -3.150 17.150 1.00 53.34 C ATOM 46 C VAL A 3 7.101 -4.405 16.261 1.00 2.43 C ATOM 47 O VAL A 3 7.644 -5.437 16.670 1.00 41.41 O ATOM 48 CB VAL A 3 8.448 -2.702 17.545 1.00 33.54 C ATOM 49 CG1 VAL A 3 9.338 -2.542 16.312 1.00 14.32 C ATOM 50 CG2 VAL A 3 8.400 -1.405 18.357 1.00 72.22 C ATOM 0 HA VAL A 3 6.532 -2.355 16.582 1.00 53.34 H new ATOM 0 HB VAL A 3 8.886 -3.481 18.169 1.00 33.54 H new ATOM 0 HG11 VAL A 3 10.335 -2.227 16.621 1.00 14.32 H new ATOM 0 HG12 VAL A 3 9.405 -3.494 15.786 1.00 14.32 H new ATOM 0 HG13 VAL A 3 8.910 -1.790 15.649 1.00 14.32 H new ATOM 0 HG21 VAL A 3 9.413 -1.106 18.625 1.00 72.22 H new ATOM 0 HG22 VAL A 3 7.936 -0.619 17.761 1.00 72.22 H new ATOM 0 HG23 VAL A 3 7.817 -1.565 19.264 1.00 72.22 H new ATOM 60 N TYR A 4 6.567 -4.309 15.042 1.00 15.42 N ATOM 61 CA TYR A 4 6.590 -5.428 14.091 1.00 52.11 C ATOM 62 C TYR A 4 7.792 -5.353 13.142 1.00 51.23 C ATOM 63 O TYR A 4 8.166 -4.280 12.668 1.00 32.21 O ATOM 64 CB TYR A 4 5.296 -5.472 13.263 1.00 65.01 C ATOM 65 CG TYR A 4 4.134 -6.144 13.968 1.00 51.32 C ATOM 66 CD1 TYR A 4 3.951 -7.522 13.879 1.00 41.31 C ATOM 67 CD2 TYR A 4 3.222 -5.409 14.713 1.00 1.43 C ATOM 68 CE1 TYR A 4 2.897 -8.145 14.517 1.00 54.40 C ATOM 69 CE2 TYR A 4 2.166 -6.027 15.353 1.00 22.25 C ATOM 70 CZ TYR A 4 2.006 -7.393 15.250 1.00 20.11 C ATOM 71 OH TYR A 4 0.955 -8.006 15.896 1.00 44.01 O ATOM 0 H TYR A 4 6.112 -3.468 14.687 1.00 15.42 H new ATOM 0 HA TYR A 4 6.676 -6.338 14.685 1.00 52.11 H new ATOM 0 HB2 TYR A 4 5.009 -4.453 13.002 1.00 65.01 H new ATOM 0 HB3 TYR A 4 5.493 -5.997 12.328 1.00 65.01 H new ATOM 0 HD1 TYR A 4 4.646 -8.113 13.301 1.00 41.31 H new ATOM 0 HD2 TYR A 4 3.340 -4.338 14.793 1.00 1.43 H new ATOM 0 HE1 TYR A 4 2.772 -9.215 14.442 1.00 54.40 H new ATOM 0 HE2 TYR A 4 1.467 -5.442 15.933 1.00 22.25 H new ATOM 0 HH TYR A 4 0.423 -7.332 16.368 1.00 44.01 H new ATOM 81 N LYS A 5 8.387 -6.511 12.872 1.00 30.23 N ATOM 82 CA LYS A 5 9.463 -6.634 11.888 1.00 32.00 C ATOM 83 C LYS A 5 8.975 -7.446 10.671 1.00 52.52 C ATOM 84 O LYS A 5 7.962 -8.143 10.757 1.00 62.24 O ATOM 85 CB LYS A 5 10.683 -7.310 12.541 1.00 3.20 C ATOM 86 CG LYS A 5 11.271 -6.518 13.706 1.00 72.20 C ATOM 87 CD LYS A 5 12.344 -7.307 14.460 1.00 4.42 C ATOM 88 CE LYS A 5 13.470 -7.779 13.545 1.00 64.53 C ATOM 89 NZ LYS A 5 14.563 -8.435 14.309 1.00 72.50 N ATOM 0 H LYS A 5 8.139 -7.390 13.327 1.00 30.23 H new ATOM 0 HA LYS A 5 9.755 -5.642 11.542 1.00 32.00 H new ATOM 0 HB2 LYS A 5 10.393 -8.299 12.895 1.00 3.20 H new ATOM 0 HB3 LYS A 5 11.455 -7.455 11.785 1.00 3.20 H new ATOM 0 HG2 LYS A 5 11.702 -5.590 13.331 1.00 72.20 H new ATOM 0 HG3 LYS A 5 10.473 -6.243 14.396 1.00 72.20 H new ATOM 0 HD2 LYS A 5 12.760 -6.684 15.252 1.00 4.42 H new ATOM 0 HD3 LYS A 5 11.885 -8.170 14.942 1.00 4.42 H new ATOM 0 HE2 LYS A 5 13.072 -8.477 12.809 1.00 64.53 H new ATOM 0 HE3 LYS A 5 13.871 -6.929 12.994 1.00 64.53 H new ATOM 0 HZ1 LYS A 5 15.309 -8.742 13.653 1.00 72.50 H new ATOM 0 HZ2 LYS A 5 14.960 -7.761 14.995 1.00 72.50 H new ATOM 0 HZ3 LYS A 5 14.185 -9.262 14.815 1.00 72.50 H new ATOM 103 N PRO A 6 9.683 -7.385 9.520 1.00 31.02 N ATOM 104 CA PRO A 6 9.267 -8.103 8.294 1.00 40.03 C ATOM 105 C PRO A 6 9.078 -9.614 8.521 1.00 62.41 C ATOM 106 O PRO A 6 8.347 -10.277 7.792 1.00 1.53 O ATOM 107 CB PRO A 6 10.421 -7.838 7.306 1.00 71.21 C ATOM 108 CG PRO A 6 11.560 -7.367 8.153 1.00 23.53 C ATOM 109 CD PRO A 6 10.932 -6.634 9.305 1.00 10.52 C ATOM 0 HA PRO A 6 8.298 -7.756 7.936 1.00 40.03 H new ATOM 0 HB2 PRO A 6 10.685 -8.742 6.757 1.00 71.21 H new ATOM 0 HB3 PRO A 6 10.142 -7.087 6.567 1.00 71.21 H new ATOM 0 HG2 PRO A 6 12.161 -8.206 8.503 1.00 23.53 H new ATOM 0 HG3 PRO A 6 12.224 -6.713 7.588 1.00 23.53 H new ATOM 0 HD2 PRO A 6 11.570 -6.646 10.189 1.00 10.52 H new ATOM 0 HD3 PRO A 6 10.740 -5.588 9.064 1.00 10.52 H new ATOM 117 N GLU A 7 9.743 -10.142 9.544 1.00 53.30 N ATOM 118 CA GLU A 7 9.650 -11.565 9.894 1.00 30.02 C ATOM 119 C GLU A 7 8.384 -11.871 10.723 1.00 62.21 C ATOM 120 O GLU A 7 7.913 -13.010 10.758 1.00 11.12 O ATOM 121 CB GLU A 7 10.907 -11.989 10.669 1.00 50.35 C ATOM 122 CG GLU A 7 11.184 -11.133 11.903 1.00 10.10 C ATOM 123 CD GLU A 7 12.450 -11.547 12.637 1.00 74.44 C ATOM 124 OE1 GLU A 7 13.540 -11.067 12.264 1.00 30.20 O ATOM 125 OE2 GLU A 7 12.359 -12.350 13.593 1.00 4.15 O ATOM 0 H GLU A 7 10.359 -9.604 10.153 1.00 53.30 H new ATOM 0 HA GLU A 7 9.579 -12.136 8.968 1.00 30.02 H new ATOM 0 HB2 GLU A 7 10.800 -13.030 10.976 1.00 50.35 H new ATOM 0 HB3 GLU A 7 11.768 -11.940 10.003 1.00 50.35 H new ATOM 0 HG2 GLU A 7 11.269 -10.089 11.603 1.00 10.10 H new ATOM 0 HG3 GLU A 7 10.336 -11.201 12.584 1.00 10.10 H new ATOM 132 N ASP A 8 7.841 -10.850 11.389 1.00 53.03 N ATOM 133 CA ASP A 8 6.647 -11.010 12.232 1.00 31.11 C ATOM 134 C ASP A 8 5.354 -10.738 11.441 1.00 52.34 C ATOM 135 O ASP A 8 4.266 -11.154 11.846 1.00 72.45 O ATOM 136 CB ASP A 8 6.732 -10.072 13.442 1.00 4.11 C ATOM 137 CG ASP A 8 8.000 -10.293 14.250 1.00 52.30 C ATOM 138 OD1 ASP A 8 8.033 -11.227 15.079 1.00 51.11 O ATOM 139 OD2 ASP A 8 8.971 -9.538 14.058 1.00 41.31 O ATOM 0 H ASP A 8 8.208 -9.899 11.363 1.00 53.03 H new ATOM 0 HA ASP A 8 6.615 -12.044 12.575 1.00 31.11 H new ATOM 0 HB2 ASP A 8 6.696 -9.037 13.101 1.00 4.11 H new ATOM 0 HB3 ASP A 8 5.863 -10.227 14.082 1.00 4.11 H new ATOM 144 N VAL A 9 5.482 -10.035 10.317 1.00 14.32 N ATOM 145 CA VAL A 9 4.335 -9.736 9.452 1.00 20.23 C ATOM 146 C VAL A 9 3.829 -11.006 8.737 1.00 33.22 C ATOM 147 O VAL A 9 4.581 -11.654 8.009 1.00 3.44 O ATOM 148 CB VAL A 9 4.701 -8.666 8.388 1.00 71.33 C ATOM 149 CG1 VAL A 9 3.500 -8.331 7.501 1.00 25.51 C ATOM 150 CG2 VAL A 9 5.248 -7.407 9.058 1.00 50.43 C ATOM 0 H VAL A 9 6.369 -9.660 9.981 1.00 14.32 H new ATOM 0 HA VAL A 9 3.544 -9.348 10.094 1.00 20.23 H new ATOM 0 HB VAL A 9 5.479 -9.082 7.749 1.00 71.33 H new ATOM 0 HG11 VAL A 9 3.789 -7.579 6.767 1.00 25.51 H new ATOM 0 HG12 VAL A 9 3.166 -9.232 6.986 1.00 25.51 H new ATOM 0 HG13 VAL A 9 2.689 -7.943 8.118 1.00 25.51 H new ATOM 0 HG21 VAL A 9 5.499 -6.669 8.296 1.00 50.43 H new ATOM 0 HG22 VAL A 9 4.494 -6.995 9.728 1.00 50.43 H new ATOM 0 HG23 VAL A 9 6.142 -7.658 9.628 1.00 50.43 H new ATOM 160 N PRO A 10 2.550 -11.388 8.947 1.00 12.11 N ATOM 161 CA PRO A 10 1.951 -12.564 8.286 1.00 73.13 C ATOM 162 C PRO A 10 2.054 -12.508 6.751 1.00 24.21 C ATOM 163 O PRO A 10 1.411 -11.676 6.098 1.00 3.21 O ATOM 164 CB PRO A 10 0.481 -12.518 8.730 1.00 23.32 C ATOM 165 CG PRO A 10 0.489 -11.732 9.997 1.00 1.44 C ATOM 166 CD PRO A 10 1.595 -10.721 9.852 1.00 32.21 C ATOM 0 HA PRO A 10 2.467 -13.483 8.563 1.00 73.13 H new ATOM 0 HB2 PRO A 10 -0.146 -12.044 7.975 1.00 23.32 H new ATOM 0 HB3 PRO A 10 0.085 -13.521 8.889 1.00 23.32 H new ATOM 0 HG2 PRO A 10 -0.470 -11.240 10.157 1.00 1.44 H new ATOM 0 HG3 PRO A 10 0.663 -12.379 10.857 1.00 1.44 H new ATOM 0 HD2 PRO A 10 1.230 -9.784 9.432 1.00 32.21 H new ATOM 0 HD3 PRO A 10 2.051 -10.483 10.813 1.00 32.21 H new ATOM 174 N ASN A 11 2.871 -13.392 6.181 1.00 61.33 N ATOM 175 CA ASN A 11 3.058 -13.455 4.730 1.00 52.40 C ATOM 176 C ASN A 11 1.798 -14.008 4.039 1.00 52.54 C ATOM 177 O ASN A 11 1.704 -15.202 3.733 1.00 31.04 O ATOM 178 CB ASN A 11 4.285 -14.317 4.399 1.00 2.21 C ATOM 179 CG ASN A 11 4.705 -14.227 2.941 1.00 42.44 C ATOM 180 OD1 ASN A 11 3.891 -13.983 2.053 1.00 74.22 O ATOM 181 ND2 ASN A 11 5.978 -14.435 2.680 1.00 25.43 N ATOM 0 H ASN A 11 3.417 -14.078 6.703 1.00 61.33 H new ATOM 0 HA ASN A 11 3.227 -12.446 4.354 1.00 52.40 H new ATOM 0 HB2 ASN A 11 5.118 -14.008 5.030 1.00 2.21 H new ATOM 0 HB3 ASN A 11 4.067 -15.357 4.644 1.00 2.21 H new ATOM 0 HD21 ASN A 11 6.314 -14.396 1.718 1.00 25.43 H new ATOM 0 HD22 ASN A 11 6.628 -14.635 3.440 1.00 25.43 H new ATOM 188 N VAL A 12 0.821 -13.132 3.810 1.00 72.41 N ATOM 189 CA VAL A 12 -0.453 -13.539 3.201 1.00 53.41 C ATOM 190 C VAL A 12 -0.283 -14.015 1.748 1.00 24.54 C ATOM 191 O VAL A 12 -1.049 -14.849 1.274 1.00 53.21 O ATOM 192 CB VAL A 12 -1.506 -12.404 3.250 1.00 70.11 C ATOM 193 CG1 VAL A 12 -1.912 -12.107 4.693 1.00 31.12 C ATOM 194 CG2 VAL A 12 -0.981 -11.145 2.563 1.00 42.45 C ATOM 0 H VAL A 12 0.882 -12.139 4.034 1.00 72.41 H new ATOM 0 HA VAL A 12 -0.810 -14.378 3.798 1.00 53.41 H new ATOM 0 HB VAL A 12 -2.391 -12.738 2.709 1.00 70.11 H new ATOM 0 HG11 VAL A 12 -2.652 -11.307 4.705 1.00 31.12 H new ATOM 0 HG12 VAL A 12 -2.339 -13.003 5.143 1.00 31.12 H new ATOM 0 HG13 VAL A 12 -1.035 -11.798 5.262 1.00 31.12 H new ATOM 0 HG21 VAL A 12 -1.738 -10.362 2.610 1.00 42.45 H new ATOM 0 HG22 VAL A 12 -0.076 -10.806 3.067 1.00 42.45 H new ATOM 0 HG23 VAL A 12 -0.754 -11.367 1.520 1.00 42.45 H new ATOM 204 N GLN A 13 0.730 -13.497 1.054 1.00 42.42 N ATOM 205 CA GLN A 13 0.988 -13.882 -0.342 1.00 50.11 C ATOM 206 C GLN A 13 1.551 -15.307 -0.447 1.00 61.34 C ATOM 207 O GLN A 13 1.428 -15.961 -1.484 1.00 23.44 O ATOM 208 CB GLN A 13 1.934 -12.874 -1.005 1.00 21.34 C ATOM 209 CG GLN A 13 1.298 -11.504 -1.219 1.00 74.51 C ATOM 210 CD GLN A 13 0.116 -11.552 -2.179 1.00 1.33 C ATOM 211 OE1 GLN A 13 -1.071 -11.806 -1.664 1.00 14.23 O flip ATOM 212 NE2 GLN A 13 0.271 -11.375 -3.380 1.00 1.32 N flip ATOM 0 H GLN A 13 1.386 -12.812 1.430 1.00 42.42 H new ATOM 0 HA GLN A 13 0.035 -13.872 -0.871 1.00 50.11 H new ATOM 0 HB2 GLN A 13 2.825 -12.761 -0.387 1.00 21.34 H new ATOM 0 HB3 GLN A 13 2.261 -13.270 -1.967 1.00 21.34 H new ATOM 0 HG2 GLN A 13 0.966 -11.107 -0.259 1.00 74.51 H new ATOM 0 HG3 GLN A 13 2.049 -10.815 -1.607 1.00 74.51 H new ATOM 0 HE21 GLN A 13 1.201 -11.180 -3.751 1.00 1.32 H new ATOM 0 HE22 GLN A 13 -0.530 -11.422 -4.010 1.00 1.32 H new ATOM 221 N LEU A 14 2.182 -15.776 0.625 1.00 20.54 N ATOM 222 CA LEU A 14 2.601 -17.175 0.719 1.00 64.15 C ATOM 223 C LEU A 14 1.371 -18.053 1.006 1.00 3.44 C ATOM 224 O LEU A 14 1.220 -19.143 0.451 1.00 70.53 O ATOM 225 CB LEU A 14 3.668 -17.326 1.825 1.00 52.14 C ATOM 226 CG LEU A 14 4.467 -18.649 1.847 1.00 13.32 C ATOM 227 CD1 LEU A 14 5.735 -18.493 2.683 1.00 73.22 C ATOM 228 CD2 LEU A 14 3.625 -19.806 2.390 1.00 34.44 C ATOM 0 H LEU A 14 2.415 -15.211 1.441 1.00 20.54 H new ATOM 0 HA LEU A 14 3.045 -17.498 -0.223 1.00 64.15 H new ATOM 0 HB2 LEU A 14 4.376 -16.503 1.728 1.00 52.14 H new ATOM 0 HB3 LEU A 14 3.175 -17.211 2.790 1.00 52.14 H new ATOM 0 HG LEU A 14 4.741 -18.883 0.818 1.00 13.32 H new ATOM 0 HD11 LEU A 14 6.286 -19.434 2.688 1.00 73.22 H new ATOM 0 HD12 LEU A 14 6.359 -17.709 2.254 1.00 73.22 H new ATOM 0 HD13 LEU A 14 5.466 -18.224 3.705 1.00 73.22 H new ATOM 0 HD21 LEU A 14 4.219 -20.720 2.391 1.00 34.44 H new ATOM 0 HD22 LEU A 14 3.308 -19.579 3.408 1.00 34.44 H new ATOM 0 HD23 LEU A 14 2.747 -19.945 1.759 1.00 34.44 H new ATOM 240 N ALA A 15 0.486 -17.550 1.863 1.00 1.03 N ATOM 241 CA ALA A 15 -0.742 -18.259 2.233 1.00 63.20 C ATOM 242 C ALA A 15 -1.799 -18.215 1.112 1.00 22.02 C ATOM 243 O ALA A 15 -1.939 -19.169 0.343 1.00 64.34 O ATOM 244 CB ALA A 15 -1.306 -17.675 3.526 1.00 33.21 C ATOM 0 H ALA A 15 0.596 -16.645 2.320 1.00 1.03 H new ATOM 0 HA ALA A 15 -0.488 -19.307 2.389 1.00 63.20 H new ATOM 0 HB1 ALA A 15 -2.219 -18.205 3.797 1.00 33.21 H new ATOM 0 HB2 ALA A 15 -0.572 -17.784 4.325 1.00 33.21 H new ATOM 0 HB3 ALA A 15 -1.530 -16.618 3.381 1.00 33.21 H new ATOM 250 N ASP A 16 -2.522 -17.098 1.007 1.00 74.01 N ATOM 251 CA ASP A 16 -3.621 -16.966 0.042 1.00 43.23 C ATOM 252 C ASP A 16 -3.394 -15.784 -0.916 1.00 42.45 C ATOM 253 O ASP A 16 -3.506 -14.623 -0.519 1.00 21.20 O ATOM 254 CB ASP A 16 -4.952 -16.767 0.780 1.00 15.23 C ATOM 255 CG ASP A 16 -5.201 -17.821 1.844 1.00 2.40 C ATOM 256 OD1 ASP A 16 -5.421 -18.994 1.487 1.00 14.41 O ATOM 257 OD2 ASP A 16 -5.199 -17.473 3.046 1.00 11.22 O ATOM 0 H ASP A 16 -2.367 -16.268 1.579 1.00 74.01 H new ATOM 0 HA ASP A 16 -3.654 -17.885 -0.544 1.00 43.23 H new ATOM 0 HB2 ASP A 16 -4.960 -15.781 1.244 1.00 15.23 H new ATOM 0 HB3 ASP A 16 -5.768 -16.787 0.058 1.00 15.23 H new ATOM 262 N SER A 17 -3.097 -16.081 -2.181 1.00 23.11 N ATOM 263 CA SER A 17 -2.922 -15.036 -3.212 1.00 63.33 C ATOM 264 C SER A 17 -4.188 -14.178 -3.375 1.00 64.31 C ATOM 265 O SER A 17 -4.120 -13.029 -3.810 1.00 73.23 O ATOM 266 CB SER A 17 -2.559 -15.673 -4.560 1.00 20.44 C ATOM 267 OG SER A 17 -3.547 -16.609 -4.969 1.00 30.22 O ATOM 0 H SER A 17 -2.971 -17.033 -2.525 1.00 23.11 H new ATOM 0 HA SER A 17 -2.111 -14.387 -2.882 1.00 63.33 H new ATOM 0 HB2 SER A 17 -2.456 -14.895 -5.317 1.00 20.44 H new ATOM 0 HB3 SER A 17 -1.593 -16.171 -4.481 1.00 20.44 H new ATOM 0 HG SER A 17 -3.292 -16.998 -5.831 1.00 30.22 H new ATOM 273 N THR A 18 -5.340 -14.748 -3.021 1.00 64.01 N ATOM 274 CA THR A 18 -6.625 -14.032 -3.076 1.00 53.55 C ATOM 275 C THR A 18 -6.631 -12.809 -2.139 1.00 11.34 C ATOM 276 O THR A 18 -7.364 -11.844 -2.366 1.00 10.33 O ATOM 277 CB THR A 18 -7.795 -14.970 -2.688 1.00 53.05 C ATOM 278 OG1 THR A 18 -7.699 -16.211 -3.404 1.00 62.34 O ATOM 279 CG2 THR A 18 -9.148 -14.333 -2.982 1.00 70.12 C ATOM 0 H THR A 18 -5.414 -15.710 -2.690 1.00 64.01 H new ATOM 0 HA THR A 18 -6.755 -13.690 -4.103 1.00 53.55 H new ATOM 0 HB THR A 18 -7.720 -15.151 -1.616 1.00 53.05 H new ATOM 0 HG1 THR A 18 -8.443 -16.795 -3.148 1.00 62.34 H new ATOM 0 HG21 THR A 18 -9.944 -15.021 -2.697 1.00 70.12 H new ATOM 0 HG22 THR A 18 -9.246 -13.408 -2.413 1.00 70.12 H new ATOM 0 HG23 THR A 18 -9.223 -14.113 -4.047 1.00 70.12 H new ATOM 287 N ARG A 19 -5.819 -12.860 -1.084 1.00 5.25 N ATOM 288 CA ARG A 19 -5.681 -11.739 -0.146 1.00 21.50 C ATOM 289 C ARG A 19 -4.267 -11.150 -0.200 1.00 74.31 C ATOM 290 O ARG A 19 -3.292 -11.793 0.192 1.00 72.22 O ATOM 291 CB ARG A 19 -6.016 -12.185 1.287 1.00 2.13 C ATOM 292 CG ARG A 19 -5.575 -11.200 2.372 1.00 73.35 C ATOM 293 CD ARG A 19 -6.157 -11.556 3.738 1.00 30.40 C ATOM 294 NE ARG A 19 -7.564 -11.170 3.843 1.00 15.13 N ATOM 295 CZ ARG A 19 -8.502 -11.908 4.372 1.00 41.12 C ATOM 296 NH1 ARG A 19 -8.245 -13.101 4.809 1.00 13.55 N ATOM 297 NH2 ARG A 19 -9.709 -11.453 4.446 1.00 41.34 N ATOM 0 H ARG A 19 -5.242 -13.669 -0.854 1.00 5.25 H new ATOM 0 HA ARG A 19 -6.388 -10.965 -0.444 1.00 21.50 H new ATOM 0 HB2 ARG A 19 -7.093 -12.336 1.366 1.00 2.13 H new ATOM 0 HB3 ARG A 19 -5.544 -13.149 1.475 1.00 2.13 H new ATOM 0 HG2 ARG A 19 -4.487 -11.191 2.433 1.00 73.35 H new ATOM 0 HG3 ARG A 19 -5.887 -10.193 2.096 1.00 73.35 H new ATOM 0 HD2 ARG A 19 -6.060 -12.629 3.907 1.00 30.40 H new ATOM 0 HD3 ARG A 19 -5.583 -11.057 4.519 1.00 30.40 H new ATOM 0 HE ARG A 19 -7.832 -10.257 3.476 1.00 15.13 H new ATOM 0 HH11 ARG A 19 -7.299 -13.476 4.742 1.00 13.55 H new ATOM 0 HH12 ARG A 19 -8.989 -13.665 5.220 1.00 13.55 H new ATOM 0 HH21 ARG A 19 -9.925 -10.521 4.092 1.00 41.34 H new ATOM 0 HH22 ARG A 19 -10.446 -12.026 4.858 1.00 41.34 H new ATOM 311 N LEU A 20 -4.166 -9.922 -0.686 1.00 24.34 N ATOM 312 CA LEU A 20 -2.881 -9.227 -0.775 1.00 44.14 C ATOM 313 C LEU A 20 -2.730 -8.214 0.369 1.00 44.13 C ATOM 314 O LEU A 20 -1.777 -7.439 0.408 1.00 12.23 O ATOM 315 CB LEU A 20 -2.749 -8.518 -2.133 1.00 12.43 C ATOM 316 CG LEU A 20 -2.872 -9.428 -3.372 1.00 42.40 C ATOM 317 CD1 LEU A 20 -4.334 -9.725 -3.706 1.00 24.31 C ATOM 318 CD2 LEU A 20 -2.155 -8.816 -4.571 1.00 62.34 C ATOM 0 H LEU A 20 -4.960 -9.380 -1.027 1.00 24.34 H new ATOM 0 HA LEU A 20 -2.086 -9.967 -0.686 1.00 44.14 H new ATOM 0 HB2 LEU A 20 -3.514 -7.744 -2.195 1.00 12.43 H new ATOM 0 HB3 LEU A 20 -1.783 -8.015 -2.168 1.00 12.43 H new ATOM 0 HG LEU A 20 -2.389 -10.375 -3.133 1.00 42.40 H new ATOM 0 HD11 LEU A 20 -4.383 -10.369 -4.584 1.00 24.31 H new ATOM 0 HD12 LEU A 20 -4.805 -10.227 -2.861 1.00 24.31 H new ATOM 0 HD13 LEU A 20 -4.857 -8.791 -3.911 1.00 24.31 H new ATOM 0 HD21 LEU A 20 -2.256 -9.477 -5.432 1.00 62.34 H new ATOM 0 HD22 LEU A 20 -2.597 -7.847 -4.803 1.00 62.34 H new ATOM 0 HD23 LEU A 20 -1.099 -8.686 -4.336 1.00 62.34 H new ATOM 330 N VAL A 21 -3.675 -8.242 1.311 1.00 30.43 N ATOM 331 CA VAL A 21 -3.745 -7.237 2.378 1.00 73.01 C ATOM 332 C VAL A 21 -3.609 -7.853 3.782 1.00 14.23 C ATOM 333 O VAL A 21 -4.462 -8.634 4.212 1.00 12.15 O ATOM 334 CB VAL A 21 -5.084 -6.465 2.309 1.00 64.22 C ATOM 335 CG1 VAL A 21 -5.068 -5.263 3.247 1.00 50.00 C ATOM 336 CG2 VAL A 21 -5.387 -6.047 0.875 1.00 41.42 C ATOM 0 H VAL A 21 -4.406 -8.952 1.358 1.00 30.43 H new ATOM 0 HA VAL A 21 -2.905 -6.562 2.216 1.00 73.01 H new ATOM 0 HB VAL A 21 -5.882 -7.129 2.640 1.00 64.22 H new ATOM 0 HG11 VAL A 21 -6.020 -4.737 3.180 1.00 50.00 H new ATOM 0 HG12 VAL A 21 -4.912 -5.603 4.271 1.00 50.00 H new ATOM 0 HG13 VAL A 21 -4.260 -4.589 2.961 1.00 50.00 H new ATOM 0 HG21 VAL A 21 -6.332 -5.505 0.846 1.00 41.42 H new ATOM 0 HG22 VAL A 21 -4.588 -5.403 0.507 1.00 41.42 H new ATOM 0 HG23 VAL A 21 -5.457 -6.934 0.245 1.00 41.42 H new ATOM 346 N THR A 22 -2.544 -7.482 4.491 1.00 1.23 N ATOM 347 CA THR A 22 -2.323 -7.931 5.877 1.00 24.34 C ATOM 348 C THR A 22 -2.633 -6.807 6.881 1.00 33.22 C ATOM 349 O THR A 22 -1.857 -5.858 7.020 1.00 45.42 O ATOM 350 CB THR A 22 -0.859 -8.394 6.104 1.00 32.02 C ATOM 351 OG1 THR A 22 -0.506 -9.429 5.175 1.00 41.24 O ATOM 352 CG2 THR A 22 -0.657 -8.907 7.526 1.00 54.13 C ATOM 0 H THR A 22 -1.813 -6.868 4.131 1.00 1.23 H new ATOM 0 HA THR A 22 -2.998 -8.771 6.039 1.00 24.34 H new ATOM 0 HB THR A 22 -0.215 -7.529 5.946 1.00 32.02 H new ATOM 0 HG1 THR A 22 0.141 -10.036 5.592 1.00 41.24 H new ATOM 0 HG21 THR A 22 0.378 -9.224 7.655 1.00 54.13 H new ATOM 0 HG22 THR A 22 -0.884 -8.111 8.236 1.00 54.13 H new ATOM 0 HG23 THR A 22 -1.321 -9.753 7.705 1.00 54.13 H new ATOM 360 N ASP A 23 -3.764 -6.912 7.581 1.00 12.45 N ATOM 361 CA ASP A 23 -4.148 -5.906 8.582 1.00 60.13 C ATOM 362 C ASP A 23 -3.740 -6.344 10.003 1.00 55.41 C ATOM 363 O ASP A 23 -4.396 -7.182 10.623 1.00 11.13 O ATOM 364 CB ASP A 23 -5.660 -5.627 8.515 1.00 21.32 C ATOM 365 CG ASP A 23 -6.108 -4.583 9.533 1.00 12.13 C ATOM 366 OD1 ASP A 23 -5.878 -3.375 9.303 1.00 64.24 O ATOM 367 OD2 ASP A 23 -6.678 -4.968 10.575 1.00 70.13 O ATOM 0 H ASP A 23 -4.429 -7.678 7.477 1.00 12.45 H new ATOM 0 HA ASP A 23 -3.613 -4.985 8.351 1.00 60.13 H new ATOM 0 HB2 ASP A 23 -5.919 -5.287 7.512 1.00 21.32 H new ATOM 0 HB3 ASP A 23 -6.205 -6.555 8.687 1.00 21.32 H new ATOM 372 N GLU A 24 -2.642 -5.780 10.504 1.00 1.45 N ATOM 373 CA GLU A 24 -2.170 -6.058 11.869 1.00 45.41 C ATOM 374 C GLU A 24 -2.493 -4.891 12.813 1.00 54.40 C ATOM 375 O GLU A 24 -2.866 -5.095 13.971 1.00 64.44 O ATOM 376 CB GLU A 24 -0.657 -6.326 11.871 1.00 11.43 C ATOM 377 CG GLU A 24 -0.251 -7.606 11.149 1.00 21.52 C ATOM 378 CD GLU A 24 -0.749 -8.860 11.856 1.00 61.13 C ATOM 379 OE1 GLU A 24 -0.117 -9.277 12.848 1.00 51.00 O ATOM 380 OE2 GLU A 24 -1.777 -9.429 11.433 1.00 25.24 O ATOM 0 H GLU A 24 -2.057 -5.124 9.986 1.00 1.45 H new ATOM 0 HA GLU A 24 -2.690 -6.947 12.227 1.00 45.41 H new ATOM 0 HB2 GLU A 24 -0.149 -5.482 11.405 1.00 11.43 H new ATOM 0 HB3 GLU A 24 -0.309 -6.378 12.903 1.00 11.43 H new ATOM 0 HG2 GLU A 24 -0.644 -7.586 10.133 1.00 21.52 H new ATOM 0 HG3 GLU A 24 0.835 -7.645 11.070 1.00 21.52 H new ATOM 387 N ALA A 25 -2.338 -3.665 12.309 1.00 62.43 N ATOM 388 CA ALA A 25 -2.645 -2.451 13.081 1.00 51.14 C ATOM 389 C ALA A 25 -4.110 -2.396 13.555 1.00 51.35 C ATOM 390 O ALA A 25 -4.429 -1.685 14.508 1.00 65.41 O ATOM 391 CB ALA A 25 -2.328 -1.209 12.254 1.00 1.32 C ATOM 0 H ALA A 25 -2.000 -3.482 11.364 1.00 62.43 H new ATOM 0 HA ALA A 25 -2.018 -2.480 13.972 1.00 51.14 H new ATOM 0 HB1 ALA A 25 -2.559 -0.316 12.835 1.00 1.32 H new ATOM 0 HB2 ALA A 25 -1.270 -1.207 11.991 1.00 1.32 H new ATOM 0 HB3 ALA A 25 -2.928 -1.215 11.344 1.00 1.32 H new ATOM 397 N GLY A 26 -4.993 -3.140 12.889 1.00 41.53 N ATOM 398 CA GLY A 26 -6.412 -3.109 13.233 1.00 44.42 C ATOM 399 C GLY A 26 -7.102 -1.840 12.747 1.00 64.23 C ATOM 400 O GLY A 26 -7.711 -1.107 13.532 1.00 3.12 O ATOM 0 H GLY A 26 -4.754 -3.764 12.118 1.00 41.53 H new ATOM 0 HA2 GLY A 26 -6.907 -3.977 12.798 1.00 44.42 H new ATOM 0 HA3 GLY A 26 -6.522 -3.187 14.315 1.00 44.42 H new ATOM 404 N LEU A 27 -6.998 -1.578 11.447 1.00 51.55 N ATOM 405 CA LEU A 27 -7.559 -0.362 10.846 1.00 40.22 C ATOM 406 C LEU A 27 -8.564 -0.697 9.733 1.00 55.32 C ATOM 407 O LEU A 27 -9.671 -0.152 9.694 1.00 34.02 O ATOM 408 CB LEU A 27 -6.428 0.515 10.281 1.00 3.20 C ATOM 409 CG LEU A 27 -5.399 1.006 11.315 1.00 11.42 C ATOM 410 CD1 LEU A 27 -4.280 1.795 10.639 1.00 42.30 C ATOM 411 CD2 LEU A 27 -6.078 1.849 12.393 1.00 74.33 C ATOM 0 H LEU A 27 -6.528 -2.193 10.782 1.00 51.55 H new ATOM 0 HA LEU A 27 -8.089 0.183 11.627 1.00 40.22 H new ATOM 0 HB2 LEU A 27 -5.903 -0.049 9.510 1.00 3.20 H new ATOM 0 HB3 LEU A 27 -6.872 1.383 9.794 1.00 3.20 H new ATOM 0 HG LEU A 27 -4.956 0.132 11.792 1.00 11.42 H new ATOM 0 HD11 LEU A 27 -3.566 2.131 11.391 1.00 42.30 H new ATOM 0 HD12 LEU A 27 -3.772 1.158 9.915 1.00 42.30 H new ATOM 0 HD13 LEU A 27 -4.702 2.660 10.128 1.00 42.30 H new ATOM 0 HD21 LEU A 27 -5.333 2.186 13.114 1.00 74.33 H new ATOM 0 HD22 LEU A 27 -6.554 2.714 11.932 1.00 74.33 H new ATOM 0 HD23 LEU A 27 -6.831 1.249 12.903 1.00 74.33 H new ATOM 423 N LEU A 28 -8.177 -1.598 8.836 1.00 50.24 N ATOM 424 CA LEU A 28 -9.018 -1.969 7.695 1.00 42.32 C ATOM 425 C LEU A 28 -10.198 -2.860 8.117 1.00 63.43 C ATOM 426 O LEU A 28 -10.012 -3.984 8.583 1.00 14.24 O ATOM 427 CB LEU A 28 -8.171 -2.677 6.628 1.00 24.42 C ATOM 428 CG LEU A 28 -7.093 -1.797 5.974 1.00 54.30 C ATOM 429 CD1 LEU A 28 -6.216 -2.618 5.037 1.00 4.33 C ATOM 430 CD2 LEU A 28 -7.733 -0.631 5.223 1.00 2.21 C ATOM 0 H LEU A 28 -7.283 -2.088 8.874 1.00 50.24 H new ATOM 0 HA LEU A 28 -9.435 -1.052 7.278 1.00 42.32 H new ATOM 0 HB2 LEU A 28 -7.688 -3.542 7.082 1.00 24.42 H new ATOM 0 HB3 LEU A 28 -8.834 -3.055 5.849 1.00 24.42 H new ATOM 0 HG LEU A 28 -6.461 -1.393 6.765 1.00 54.30 H new ATOM 0 HD11 LEU A 28 -5.461 -1.973 4.587 1.00 4.33 H new ATOM 0 HD12 LEU A 28 -5.726 -3.412 5.600 1.00 4.33 H new ATOM 0 HD13 LEU A 28 -6.833 -3.057 4.253 1.00 4.33 H new ATOM 0 HD21 LEU A 28 -6.954 -0.020 4.767 1.00 2.21 H new ATOM 0 HD22 LEU A 28 -8.393 -1.017 4.446 1.00 2.21 H new ATOM 0 HD23 LEU A 28 -8.310 -0.023 5.919 1.00 2.21 H new ATOM 442 N SER A 29 -11.411 -2.338 7.954 1.00 4.34 N ATOM 443 CA SER A 29 -12.637 -3.085 8.263 1.00 0.20 C ATOM 444 C SER A 29 -12.879 -4.205 7.240 1.00 71.53 C ATOM 445 O SER A 29 -12.318 -4.181 6.146 1.00 60.35 O ATOM 446 CB SER A 29 -13.840 -2.130 8.262 1.00 3.24 C ATOM 447 OG SER A 29 -14.035 -1.554 6.976 1.00 31.31 O ATOM 0 H SER A 29 -11.576 -1.393 7.607 1.00 4.34 H new ATOM 0 HA SER A 29 -12.518 -3.536 9.248 1.00 0.20 H new ATOM 0 HB2 SER A 29 -14.738 -2.671 8.562 1.00 3.24 H new ATOM 0 HB3 SER A 29 -13.683 -1.341 8.997 1.00 3.24 H new ATOM 0 HG SER A 29 -14.808 -0.952 7.001 1.00 31.31 H new ATOM 453 N ASN A 30 -13.726 -5.175 7.594 1.00 31.44 N ATOM 454 CA ASN A 30 -14.075 -6.280 6.683 1.00 35.04 C ATOM 455 C ASN A 30 -14.574 -5.740 5.333 1.00 3.15 C ATOM 456 O ASN A 30 -14.307 -6.320 4.275 1.00 1.32 O ATOM 457 CB ASN A 30 -15.146 -7.176 7.328 1.00 65.41 C ATOM 458 CG ASN A 30 -15.557 -8.364 6.461 1.00 5.20 C ATOM 459 OD1 ASN A 30 -14.632 -8.903 5.689 1.00 53.24 O flip ATOM 460 ND2 ASN A 30 -16.699 -8.808 6.499 1.00 14.32 N flip ATOM 0 H ASN A 30 -14.185 -5.222 8.504 1.00 31.44 H new ATOM 0 HA ASN A 30 -13.179 -6.873 6.501 1.00 35.04 H new ATOM 0 HB2 ASN A 30 -14.770 -7.547 8.282 1.00 65.41 H new ATOM 0 HB3 ASN A 30 -16.028 -6.574 7.545 1.00 65.41 H new ATOM 0 HD21 ASN A 30 -17.395 -8.373 7.104 1.00 14.32 H new ATOM 0 HD22 ASN A 30 -16.953 -9.612 5.925 1.00 14.32 H new ATOM 467 N ALA A 31 -15.288 -4.618 5.383 1.00 52.33 N ATOM 468 CA ALA A 31 -15.756 -3.933 4.176 1.00 74.45 C ATOM 469 C ALA A 31 -14.579 -3.363 3.367 1.00 13.35 C ATOM 470 O ALA A 31 -14.493 -3.566 2.154 1.00 42.10 O ATOM 471 CB ALA A 31 -16.731 -2.825 4.551 1.00 34.44 C ATOM 0 H ALA A 31 -15.558 -4.159 6.253 1.00 52.33 H new ATOM 0 HA ALA A 31 -16.269 -4.661 3.548 1.00 74.45 H new ATOM 0 HB1 ALA A 31 -17.074 -2.321 3.647 1.00 34.44 H new ATOM 0 HB2 ALA A 31 -17.586 -3.254 5.074 1.00 34.44 H new ATOM 0 HB3 ALA A 31 -16.232 -2.106 5.201 1.00 34.44 H new ATOM 477 N GLN A 32 -13.670 -2.658 4.044 1.00 44.12 N ATOM 478 CA GLN A 32 -12.481 -2.099 3.383 1.00 21.45 C ATOM 479 C GLN A 32 -11.612 -3.198 2.762 1.00 40.35 C ATOM 480 O GLN A 32 -11.126 -3.053 1.641 1.00 23.24 O ATOM 481 CB GLN A 32 -11.650 -1.268 4.371 1.00 23.41 C ATOM 482 CG GLN A 32 -12.326 0.027 4.805 1.00 74.31 C ATOM 483 CD GLN A 32 -12.664 0.929 3.630 1.00 21.23 C ATOM 484 OE1 GLN A 32 -13.749 0.853 3.064 1.00 71.11 O ATOM 485 NE2 GLN A 32 -11.741 1.787 3.250 1.00 30.31 N ATOM 0 H GLN A 32 -13.730 -2.460 5.043 1.00 44.12 H new ATOM 0 HA GLN A 32 -12.831 -1.450 2.580 1.00 21.45 H new ATOM 0 HB2 GLN A 32 -11.442 -1.872 5.254 1.00 23.41 H new ATOM 0 HB3 GLN A 32 -10.690 -1.030 3.914 1.00 23.41 H new ATOM 0 HG2 GLN A 32 -13.239 -0.209 5.352 1.00 74.31 H new ATOM 0 HG3 GLN A 32 -11.671 0.562 5.493 1.00 74.31 H new ATOM 0 HE21 GLN A 32 -10.848 1.826 3.741 1.00 30.31 H new ATOM 0 HE22 GLN A 32 -11.919 2.413 2.464 1.00 30.31 H new ATOM 494 N GLU A 33 -11.423 -4.295 3.492 1.00 72.43 N ATOM 495 CA GLU A 33 -10.673 -5.445 2.975 1.00 35.01 C ATOM 496 C GLU A 33 -11.364 -6.040 1.741 1.00 65.30 C ATOM 497 O GLU A 33 -10.714 -6.353 0.746 1.00 44.43 O ATOM 498 CB GLU A 33 -10.532 -6.531 4.046 1.00 41.02 C ATOM 499 CG GLU A 33 -9.806 -6.081 5.306 1.00 54.43 C ATOM 500 CD GLU A 33 -9.605 -7.224 6.287 1.00 10.34 C ATOM 501 OE1 GLU A 33 -10.587 -7.626 6.951 1.00 20.31 O ATOM 502 OE2 GLU A 33 -8.474 -7.743 6.385 1.00 63.15 O ATOM 0 H GLU A 33 -11.776 -4.415 4.441 1.00 72.43 H new ATOM 0 HA GLU A 33 -9.682 -5.088 2.693 1.00 35.01 H new ATOM 0 HB2 GLU A 33 -11.526 -6.885 4.321 1.00 41.02 H new ATOM 0 HB3 GLU A 33 -9.999 -7.380 3.618 1.00 41.02 H new ATOM 0 HG2 GLU A 33 -8.837 -5.661 5.036 1.00 54.43 H new ATOM 0 HG3 GLU A 33 -10.375 -5.286 5.788 1.00 54.43 H new ATOM 509 N GLU A 34 -12.683 -6.198 1.821 1.00 41.33 N ATOM 510 CA GLU A 34 -13.482 -6.703 0.699 1.00 24.54 C ATOM 511 C GLU A 34 -13.251 -5.865 -0.572 1.00 23.32 C ATOM 512 O GLU A 34 -12.873 -6.392 -1.621 1.00 51.34 O ATOM 513 CB GLU A 34 -14.969 -6.677 1.080 1.00 2.22 C ATOM 514 CG GLU A 34 -15.907 -7.176 -0.013 1.00 30.53 C ATOM 515 CD GLU A 34 -17.369 -6.999 0.357 1.00 74.22 C ATOM 516 OE1 GLU A 34 -17.956 -7.921 0.962 1.00 62.42 O ATOM 517 OE2 GLU A 34 -17.938 -5.926 0.061 1.00 3.04 O ATOM 0 H GLU A 34 -13.228 -5.983 2.656 1.00 41.33 H new ATOM 0 HA GLU A 34 -13.172 -7.726 0.487 1.00 24.54 H new ATOM 0 HB2 GLU A 34 -15.114 -7.286 1.972 1.00 2.22 H new ATOM 0 HB3 GLU A 34 -15.247 -5.656 1.342 1.00 2.22 H new ATOM 0 HG2 GLU A 34 -15.701 -6.638 -0.939 1.00 30.53 H new ATOM 0 HG3 GLU A 34 -15.708 -8.230 -0.206 1.00 30.53 H new ATOM 524 N VAL A 35 -13.463 -4.556 -0.452 1.00 1.40 N ATOM 525 CA VAL A 35 -13.286 -3.628 -1.573 1.00 51.13 C ATOM 526 C VAL A 35 -11.828 -3.596 -2.064 1.00 22.11 C ATOM 527 O VAL A 35 -11.563 -3.652 -3.267 1.00 43.21 O ATOM 528 CB VAL A 35 -13.712 -2.193 -1.173 1.00 51.14 C ATOM 529 CG1 VAL A 35 -13.541 -1.218 -2.341 1.00 11.24 C ATOM 530 CG2 VAL A 35 -15.152 -2.184 -0.658 1.00 50.42 C ATOM 0 H VAL A 35 -13.760 -4.109 0.416 1.00 1.40 H new ATOM 0 HA VAL A 35 -13.921 -3.989 -2.382 1.00 51.13 H new ATOM 0 HB VAL A 35 -13.058 -1.859 -0.367 1.00 51.14 H new ATOM 0 HG11 VAL A 35 -13.848 -0.220 -2.029 1.00 11.24 H new ATOM 0 HG12 VAL A 35 -12.495 -1.197 -2.647 1.00 11.24 H new ATOM 0 HG13 VAL A 35 -14.158 -1.542 -3.179 1.00 11.24 H new ATOM 0 HG21 VAL A 35 -15.433 -1.168 -0.382 1.00 50.42 H new ATOM 0 HG22 VAL A 35 -15.820 -2.546 -1.439 1.00 50.42 H new ATOM 0 HG23 VAL A 35 -15.230 -2.832 0.215 1.00 50.42 H new ATOM 540 N MET A 36 -10.886 -3.506 -1.126 1.00 53.31 N ATOM 541 CA MET A 36 -9.464 -3.395 -1.466 1.00 11.30 C ATOM 542 C MET A 36 -8.935 -4.677 -2.125 1.00 54.54 C ATOM 543 O MET A 36 -8.360 -4.625 -3.210 1.00 44.44 O ATOM 544 CB MET A 36 -8.643 -3.063 -0.211 1.00 21.30 C ATOM 545 CG MET A 36 -7.157 -2.836 -0.475 1.00 35.23 C ATOM 546 SD MET A 36 -6.269 -2.292 0.999 1.00 22.03 S ATOM 547 CE MET A 36 -7.077 -0.727 1.327 1.00 72.31 C ATOM 0 H MET A 36 -11.080 -3.508 -0.125 1.00 53.31 H new ATOM 0 HA MET A 36 -9.358 -2.586 -2.188 1.00 11.30 H new ATOM 0 HB2 MET A 36 -9.058 -2.169 0.255 1.00 21.30 H new ATOM 0 HB3 MET A 36 -8.753 -3.876 0.506 1.00 21.30 H new ATOM 0 HG2 MET A 36 -6.711 -3.760 -0.843 1.00 35.23 H new ATOM 0 HG3 MET A 36 -7.041 -2.090 -1.261 1.00 35.23 H new ATOM 0 HE1 MET A 36 -6.525 -0.187 2.097 1.00 72.31 H new ATOM 0 HE2 MET A 36 -7.102 -0.132 0.414 1.00 72.31 H new ATOM 0 HE3 MET A 36 -8.096 -0.908 1.670 1.00 72.31 H new ATOM 557 N ASN A 37 -9.158 -5.828 -1.486 1.00 22.42 N ATOM 558 CA ASN A 37 -8.702 -7.113 -2.040 1.00 43.34 C ATOM 559 C ASN A 37 -9.387 -7.415 -3.382 1.00 74.03 C ATOM 560 O ASN A 37 -8.761 -7.955 -4.293 1.00 0.30 O ATOM 561 CB ASN A 37 -8.938 -8.273 -1.059 1.00 74.15 C ATOM 562 CG ASN A 37 -7.940 -8.287 0.090 1.00 20.13 C ATOM 563 OD1 ASN A 37 -6.843 -8.825 -0.031 1.00 61.31 O ATOM 564 ND2 ASN A 37 -8.315 -7.718 1.216 1.00 41.53 N ATOM 0 H ASN A 37 -9.646 -5.901 -0.593 1.00 22.42 H new ATOM 0 HA ASN A 37 -7.629 -7.021 -2.207 1.00 43.34 H new ATOM 0 HB2 ASN A 37 -9.948 -8.202 -0.656 1.00 74.15 H new ATOM 0 HB3 ASN A 37 -8.876 -9.218 -1.599 1.00 74.15 H new ATOM 0 HD21 ASN A 37 -7.687 -7.716 2.020 1.00 41.53 H new ATOM 0 HD22 ASN A 37 -9.233 -7.279 1.285 1.00 41.53 H new ATOM 571 N GLY A 38 -10.669 -7.065 -3.496 1.00 50.01 N ATOM 572 CA GLY A 38 -11.381 -7.217 -4.763 1.00 62.25 C ATOM 573 C GLY A 38 -10.726 -6.435 -5.900 1.00 61.12 C ATOM 574 O GLY A 38 -10.494 -6.971 -6.988 1.00 33.12 O ATOM 0 H GLY A 38 -11.229 -6.679 -2.736 1.00 50.01 H new ATOM 0 HA2 GLY A 38 -11.421 -8.273 -5.029 1.00 62.25 H new ATOM 0 HA3 GLY A 38 -12.410 -6.880 -4.640 1.00 62.25 H new ATOM 578 N ARG A 39 -10.415 -5.165 -5.639 1.00 33.04 N ATOM 579 CA ARG A 39 -9.736 -4.305 -6.619 1.00 13.43 C ATOM 580 C ARG A 39 -8.322 -4.823 -6.945 1.00 21.34 C ATOM 581 O ARG A 39 -7.952 -4.941 -8.113 1.00 61.30 O ATOM 582 CB ARG A 39 -9.683 -2.858 -6.093 1.00 52.24 C ATOM 583 CG ARG A 39 -11.024 -2.124 -6.199 1.00 45.52 C ATOM 584 CD ARG A 39 -11.160 -0.995 -5.178 1.00 11.22 C ATOM 585 NE ARG A 39 -10.056 -0.044 -5.217 1.00 41.11 N ATOM 586 CZ ARG A 39 -9.763 0.759 -4.228 1.00 41.44 C ATOM 587 NH1 ARG A 39 -10.460 0.746 -3.136 1.00 4.14 N ATOM 588 NH2 ARG A 39 -8.770 1.567 -4.332 1.00 2.04 N ATOM 0 H ARG A 39 -10.622 -4.704 -4.753 1.00 33.04 H new ATOM 0 HA ARG A 39 -10.307 -4.326 -7.547 1.00 13.43 H new ATOM 0 HB2 ARG A 39 -9.365 -2.869 -5.051 1.00 52.24 H new ATOM 0 HB3 ARG A 39 -8.928 -2.304 -6.651 1.00 52.24 H new ATOM 0 HG2 ARG A 39 -11.131 -1.715 -7.204 1.00 45.52 H new ATOM 0 HG3 ARG A 39 -11.836 -2.837 -6.057 1.00 45.52 H new ATOM 0 HD2 ARG A 39 -12.094 -0.463 -5.357 1.00 11.22 H new ATOM 0 HD3 ARG A 39 -11.225 -1.425 -4.178 1.00 11.22 H new ATOM 0 HE ARG A 39 -9.482 -0.003 -6.059 1.00 41.11 H new ATOM 0 HH11 ARG A 39 -11.247 0.104 -3.041 1.00 4.14 H new ATOM 0 HH12 ARG A 39 -10.222 1.377 -2.371 1.00 4.14 H new ATOM 0 HH21 ARG A 39 -8.211 1.581 -5.185 1.00 2.04 H new ATOM 0 HH22 ARG A 39 -8.540 2.194 -3.561 1.00 2.04 H new ATOM 602 N LEU A 40 -7.546 -5.153 -5.909 1.00 12.30 N ATOM 603 CA LEU A 40 -6.183 -5.684 -6.092 1.00 13.01 C ATOM 604 C LEU A 40 -6.192 -6.972 -6.929 1.00 3.42 C ATOM 605 O LEU A 40 -5.480 -7.087 -7.931 1.00 45.13 O ATOM 606 CB LEU A 40 -5.527 -5.966 -4.730 1.00 63.12 C ATOM 607 CG LEU A 40 -5.380 -4.752 -3.799 1.00 54.31 C ATOM 608 CD1 LEU A 40 -4.714 -5.156 -2.488 1.00 45.13 C ATOM 609 CD2 LEU A 40 -4.600 -3.632 -4.482 1.00 41.34 C ATOM 0 H LEU A 40 -7.833 -5.064 -4.934 1.00 12.30 H new ATOM 0 HA LEU A 40 -5.607 -4.927 -6.624 1.00 13.01 H new ATOM 0 HB2 LEU A 40 -6.113 -6.727 -4.215 1.00 63.12 H new ATOM 0 HB3 LEU A 40 -4.538 -6.389 -4.904 1.00 63.12 H new ATOM 0 HG LEU A 40 -6.378 -4.376 -3.572 1.00 54.31 H new ATOM 0 HD11 LEU A 40 -4.619 -4.282 -1.843 1.00 45.13 H new ATOM 0 HD12 LEU A 40 -5.321 -5.911 -1.989 1.00 45.13 H new ATOM 0 HD13 LEU A 40 -3.724 -5.564 -2.693 1.00 45.13 H new ATOM 0 HD21 LEU A 40 -4.510 -2.785 -3.802 1.00 41.34 H new ATOM 0 HD22 LEU A 40 -3.606 -3.991 -4.748 1.00 41.34 H new ATOM 0 HD23 LEU A 40 -5.127 -3.319 -5.384 1.00 41.34 H new ATOM 621 N ARG A 41 -7.010 -7.934 -6.511 1.00 62.32 N ATOM 622 CA ARG A 41 -7.133 -9.213 -7.215 1.00 75.45 C ATOM 623 C ARG A 41 -7.615 -8.998 -8.665 1.00 73.10 C ATOM 624 O ARG A 41 -7.209 -9.717 -9.580 1.00 22.15 O ATOM 625 CB ARG A 41 -8.106 -10.129 -6.456 1.00 0.43 C ATOM 626 CG ARG A 41 -8.043 -11.597 -6.868 1.00 63.11 C ATOM 627 CD ARG A 41 -9.119 -12.418 -6.166 1.00 62.45 C ATOM 628 NE ARG A 41 -10.469 -11.979 -6.523 1.00 64.01 N ATOM 629 CZ ARG A 41 -11.397 -11.658 -5.659 1.00 63.21 C ATOM 630 NH1 ARG A 41 -11.149 -11.656 -4.390 1.00 34.14 N ATOM 631 NH2 ARG A 41 -12.573 -11.323 -6.079 1.00 10.02 N ATOM 0 H ARG A 41 -7.602 -7.854 -5.684 1.00 62.32 H new ATOM 0 HA ARG A 41 -6.152 -9.687 -7.254 1.00 75.45 H new ATOM 0 HB2 ARG A 41 -7.898 -10.055 -5.389 1.00 0.43 H new ATOM 0 HB3 ARG A 41 -9.122 -9.765 -6.608 1.00 0.43 H new ATOM 0 HG2 ARG A 41 -8.167 -11.679 -7.948 1.00 63.11 H new ATOM 0 HG3 ARG A 41 -7.060 -12.002 -6.628 1.00 63.11 H new ATOM 0 HD2 ARG A 41 -9.000 -13.470 -6.427 1.00 62.45 H new ATOM 0 HD3 ARG A 41 -8.987 -12.340 -5.087 1.00 62.45 H new ATOM 0 HE ARG A 41 -10.702 -11.919 -7.514 1.00 64.01 H new ATOM 0 HH11 ARG A 41 -10.220 -11.907 -4.052 1.00 34.14 H new ATOM 0 HH12 ARG A 41 -11.882 -11.404 -3.727 1.00 34.14 H new ATOM 0 HH21 ARG A 41 -12.773 -11.310 -7.079 1.00 10.02 H new ATOM 0 HH22 ARG A 41 -13.301 -11.072 -5.410 1.00 10.02 H new ATOM 645 N ALA A 42 -8.479 -7.998 -8.863 1.00 33.42 N ATOM 646 CA ALA A 42 -8.935 -7.614 -10.205 1.00 21.12 C ATOM 647 C ALA A 42 -7.767 -7.088 -11.059 1.00 13.32 C ATOM 648 O ALA A 42 -7.651 -7.416 -12.243 1.00 52.54 O ATOM 649 CB ALA A 42 -10.042 -6.565 -10.109 1.00 13.02 C ATOM 0 H ALA A 42 -8.878 -7.438 -8.110 1.00 33.42 H new ATOM 0 HA ALA A 42 -9.335 -8.502 -10.694 1.00 21.12 H new ATOM 0 HB1 ALA A 42 -10.370 -6.290 -11.111 1.00 13.02 H new ATOM 0 HB2 ALA A 42 -10.884 -6.975 -9.551 1.00 13.02 H new ATOM 0 HB3 ALA A 42 -9.662 -5.681 -9.596 1.00 13.02 H new ATOM 655 N ILE A 43 -6.905 -6.271 -10.450 1.00 12.55 N ATOM 656 CA ILE A 43 -5.702 -5.770 -11.127 1.00 42.24 C ATOM 657 C ILE A 43 -4.767 -6.931 -11.509 1.00 72.14 C ATOM 658 O ILE A 43 -4.215 -6.960 -12.611 1.00 65.30 O ATOM 659 CB ILE A 43 -4.935 -4.745 -10.246 1.00 54.35 C ATOM 660 CG1 ILE A 43 -5.825 -3.526 -9.948 1.00 0.21 C ATOM 661 CG2 ILE A 43 -3.637 -4.309 -10.926 1.00 74.32 C ATOM 662 CD1 ILE A 43 -5.169 -2.489 -9.061 1.00 75.52 C ATOM 0 H ILE A 43 -7.015 -5.941 -9.491 1.00 12.55 H new ATOM 0 HA ILE A 43 -6.030 -5.263 -12.034 1.00 42.24 H new ATOM 0 HB ILE A 43 -4.678 -5.227 -9.303 1.00 54.35 H new ATOM 0 HG12 ILE A 43 -6.109 -3.057 -10.890 1.00 0.21 H new ATOM 0 HG13 ILE A 43 -6.744 -3.867 -9.472 1.00 0.21 H new ATOM 0 HG21 ILE A 43 -3.117 -3.592 -10.291 1.00 74.32 H new ATOM 0 HG22 ILE A 43 -3.001 -5.179 -11.087 1.00 74.32 H new ATOM 0 HG23 ILE A 43 -3.867 -3.845 -11.885 1.00 74.32 H new ATOM 0 HD11 ILE A 43 -5.859 -1.661 -8.897 1.00 75.52 H new ATOM 0 HD12 ILE A 43 -4.910 -2.941 -8.103 1.00 75.52 H new ATOM 0 HD13 ILE A 43 -4.265 -2.117 -9.543 1.00 75.52 H new ATOM 674 N ARG A 44 -4.602 -7.891 -10.598 1.00 12.25 N ATOM 675 CA ARG A 44 -3.844 -9.115 -10.895 1.00 53.44 C ATOM 676 C ARG A 44 -4.500 -9.909 -12.041 1.00 34.04 C ATOM 677 O ARG A 44 -3.815 -10.481 -12.889 1.00 51.34 O ATOM 678 CB ARG A 44 -3.732 -9.995 -9.638 1.00 13.20 C ATOM 679 CG ARG A 44 -3.074 -11.359 -9.876 1.00 61.45 C ATOM 680 CD ARG A 44 -1.629 -11.233 -10.358 1.00 51.13 C ATOM 681 NE ARG A 44 -1.073 -12.525 -10.759 1.00 62.11 N ATOM 682 CZ ARG A 44 0.126 -12.692 -11.254 1.00 22.22 C ATOM 683 NH1 ARG A 44 0.919 -11.683 -11.422 1.00 53.00 N ATOM 684 NH2 ARG A 44 0.527 -13.873 -11.589 1.00 32.02 N ATOM 0 H ARG A 44 -4.980 -7.849 -9.651 1.00 12.25 H new ATOM 0 HA ARG A 44 -2.843 -8.822 -11.212 1.00 53.44 H new ATOM 0 HB2 ARG A 44 -3.160 -9.456 -8.882 1.00 13.20 H new ATOM 0 HB3 ARG A 44 -4.730 -10.153 -9.230 1.00 13.20 H new ATOM 0 HG2 ARG A 44 -3.097 -11.936 -8.952 1.00 61.45 H new ATOM 0 HG3 ARG A 44 -3.653 -11.915 -10.614 1.00 61.45 H new ATOM 0 HD2 ARG A 44 -1.586 -10.542 -11.200 1.00 51.13 H new ATOM 0 HD3 ARG A 44 -1.017 -10.805 -9.564 1.00 51.13 H new ATOM 0 HE ARG A 44 -1.660 -13.351 -10.645 1.00 62.11 H new ATOM 0 HH11 ARG A 44 0.611 -10.744 -11.167 1.00 53.00 H new ATOM 0 HH12 ARG A 44 1.852 -11.826 -11.809 1.00 53.00 H new ATOM 0 HH21 ARG A 44 -0.091 -14.675 -11.468 1.00 32.02 H new ATOM 0 HH22 ARG A 44 1.462 -14.004 -11.975 1.00 32.02 H new ATOM 698 N SER A 45 -5.828 -9.927 -12.066 1.00 32.13 N ATOM 699 CA SER A 45 -6.574 -10.647 -13.109 1.00 45.54 C ATOM 700 C SER A 45 -6.451 -9.969 -14.480 1.00 52.02 C ATOM 701 O SER A 45 -6.472 -10.637 -15.510 1.00 65.40 O ATOM 702 CB SER A 45 -8.054 -10.778 -12.724 1.00 13.31 C ATOM 703 OG SER A 45 -8.205 -11.534 -11.530 1.00 53.02 O ATOM 0 H SER A 45 -6.416 -9.454 -11.380 1.00 32.13 H new ATOM 0 HA SER A 45 -6.132 -11.640 -13.187 1.00 45.54 H new ATOM 0 HB2 SER A 45 -8.487 -9.787 -12.588 1.00 13.31 H new ATOM 0 HB3 SER A 45 -8.603 -11.258 -13.534 1.00 13.31 H new ATOM 0 HG SER A 45 -7.888 -11.007 -10.767 1.00 53.02 H new ATOM 709 N SER A 46 -6.318 -8.644 -14.494 1.00 51.34 N ATOM 710 CA SER A 46 -6.215 -7.894 -15.759 1.00 32.55 C ATOM 711 C SER A 46 -4.755 -7.556 -16.112 1.00 12.42 C ATOM 712 O SER A 46 -4.221 -8.036 -17.110 1.00 21.40 O ATOM 713 CB SER A 46 -7.043 -6.599 -15.686 1.00 42.13 C ATOM 714 OG SER A 46 -7.108 -5.943 -16.947 1.00 13.33 O ATOM 0 H SER A 46 -6.279 -8.065 -13.655 1.00 51.34 H new ATOM 0 HA SER A 46 -6.611 -8.536 -16.546 1.00 32.55 H new ATOM 0 HB2 SER A 46 -8.052 -6.831 -15.344 1.00 42.13 H new ATOM 0 HB3 SER A 46 -6.603 -5.927 -14.949 1.00 42.13 H new ATOM 0 HG SER A 46 -7.643 -5.126 -16.864 1.00 13.33 H new ATOM 720 N HIS A 47 -4.113 -6.735 -15.281 1.00 62.21 N ATOM 721 CA HIS A 47 -2.748 -6.252 -15.553 1.00 1.45 C ATOM 722 C HIS A 47 -1.670 -7.208 -15.023 1.00 1.51 C ATOM 723 O HIS A 47 -0.486 -7.035 -15.312 1.00 51.14 O ATOM 724 CB HIS A 47 -2.545 -4.878 -14.910 1.00 31.34 C ATOM 725 CG HIS A 47 -3.516 -3.843 -15.376 1.00 21.12 C ATOM 726 ND1 HIS A 47 -3.206 -2.988 -16.400 1.00 5.44 N ATOM 727 CD2 HIS A 47 -4.759 -3.559 -14.922 1.00 10.41 C ATOM 728 CE1 HIS A 47 -4.257 -2.207 -16.546 1.00 60.40 C ATOM 729 NE2 HIS A 47 -5.223 -2.516 -15.673 1.00 71.33 N ATOM 0 H HIS A 47 -4.513 -6.386 -14.410 1.00 62.21 H new ATOM 0 HA HIS A 47 -2.643 -6.192 -16.636 1.00 1.45 H new ATOM 0 HB2 HIS A 47 -2.627 -4.978 -13.828 1.00 31.34 H new ATOM 0 HB3 HIS A 47 -1.533 -4.534 -15.122 1.00 31.34 H new ATOM 0 HD2 HIS A 47 -5.283 -4.060 -14.121 1.00 10.41 H new ATOM 0 HE1 HIS A 47 -4.330 -1.417 -17.278 1.00 60.40 H new ATOM 0 HE2 HIS A 47 -6.131 -2.060 -15.585 1.00 71.33 H new ATOM 737 N ALA A 48 -2.085 -8.192 -14.224 1.00 50.43 N ATOM 738 CA ALA A 48 -1.159 -9.136 -13.576 1.00 61.22 C ATOM 739 C ALA A 48 -0.304 -8.462 -12.488 1.00 74.23 C ATOM 740 O ALA A 48 0.551 -9.101 -11.877 1.00 65.31 O ATOM 741 CB ALA A 48 -0.267 -9.826 -14.605 1.00 23.42 C ATOM 0 H ALA A 48 -3.067 -8.361 -14.005 1.00 50.43 H new ATOM 0 HA ALA A 48 -1.774 -9.891 -13.086 1.00 61.22 H new ATOM 0 HB1 ALA A 48 0.406 -10.517 -14.098 1.00 23.42 H new ATOM 0 HB2 ALA A 48 -0.887 -10.377 -15.313 1.00 23.42 H new ATOM 0 HB3 ALA A 48 0.317 -9.077 -15.140 1.00 23.42 H new ATOM 747 N VAL A 49 -0.554 -7.176 -12.231 1.00 62.24 N ATOM 748 CA VAL A 49 0.200 -6.431 -11.218 1.00 75.33 C ATOM 749 C VAL A 49 -0.040 -6.996 -9.811 1.00 2.54 C ATOM 750 O VAL A 49 -1.179 -7.078 -9.345 1.00 64.32 O ATOM 751 CB VAL A 49 -0.155 -4.923 -11.237 1.00 34.34 C ATOM 752 CG1 VAL A 49 0.579 -4.166 -10.127 1.00 51.32 C ATOM 753 CG2 VAL A 49 0.155 -4.315 -12.604 1.00 25.32 C ATOM 0 H VAL A 49 -1.271 -6.629 -12.709 1.00 62.24 H new ATOM 0 HA VAL A 49 1.255 -6.545 -11.468 1.00 75.33 H new ATOM 0 HB VAL A 49 -1.225 -4.828 -11.052 1.00 34.34 H new ATOM 0 HG11 VAL A 49 0.309 -3.111 -10.167 1.00 51.32 H new ATOM 0 HG12 VAL A 49 0.296 -4.577 -9.158 1.00 51.32 H new ATOM 0 HG13 VAL A 49 1.655 -4.271 -10.265 1.00 51.32 H new ATOM 0 HG21 VAL A 49 -0.101 -3.256 -12.598 1.00 25.32 H new ATOM 0 HG22 VAL A 49 1.217 -4.430 -12.821 1.00 25.32 H new ATOM 0 HG23 VAL A 49 -0.429 -4.825 -13.370 1.00 25.32 H new ATOM 763 N GLU A 50 1.039 -7.392 -9.149 1.00 42.43 N ATOM 764 CA GLU A 50 0.970 -7.931 -7.794 1.00 75.22 C ATOM 765 C GLU A 50 1.075 -6.789 -6.772 1.00 22.35 C ATOM 766 O GLU A 50 2.166 -6.349 -6.416 1.00 43.14 O ATOM 767 CB GLU A 50 2.098 -8.957 -7.606 1.00 41.40 C ATOM 768 CG GLU A 50 2.047 -10.094 -8.630 1.00 41.12 C ATOM 769 CD GLU A 50 3.308 -10.947 -8.654 1.00 23.14 C ATOM 770 OE1 GLU A 50 3.494 -11.768 -7.733 1.00 4.41 O ATOM 771 OE2 GLU A 50 4.109 -10.809 -9.610 1.00 3.32 O ATOM 0 H GLU A 50 1.983 -7.350 -9.532 1.00 42.43 H new ATOM 0 HA GLU A 50 0.014 -8.431 -7.636 1.00 75.22 H new ATOM 0 HB2 GLU A 50 3.060 -8.450 -7.682 1.00 41.40 H new ATOM 0 HB3 GLU A 50 2.037 -9.376 -6.602 1.00 41.40 H new ATOM 0 HG2 GLU A 50 1.191 -10.732 -8.411 1.00 41.12 H new ATOM 0 HG3 GLU A 50 1.884 -9.672 -9.622 1.00 41.12 H new ATOM 778 N PHE A 51 -0.082 -6.317 -6.315 1.00 3.33 N ATOM 779 CA PHE A 51 -0.175 -5.120 -5.468 1.00 31.12 C ATOM 780 C PHE A 51 -0.654 -5.483 -4.049 1.00 21.43 C ATOM 781 O PHE A 51 -1.839 -5.729 -3.827 1.00 53.44 O ATOM 782 CB PHE A 51 -1.141 -4.127 -6.144 1.00 3.11 C ATOM 783 CG PHE A 51 -1.223 -2.746 -5.528 1.00 0.12 C ATOM 784 CD1 PHE A 51 -0.381 -2.348 -4.497 1.00 74.24 C ATOM 785 CD2 PHE A 51 -2.161 -1.838 -6.004 1.00 63.20 C ATOM 786 CE1 PHE A 51 -0.478 -1.077 -3.957 1.00 33.44 C ATOM 787 CE2 PHE A 51 -2.259 -0.571 -5.468 1.00 52.22 C ATOM 788 CZ PHE A 51 -1.418 -0.190 -4.445 1.00 72.53 C ATOM 0 H PHE A 51 -0.983 -6.749 -6.518 1.00 3.33 H new ATOM 0 HA PHE A 51 0.809 -4.663 -5.362 1.00 31.12 H new ATOM 0 HB2 PHE A 51 -0.846 -4.019 -7.188 1.00 3.11 H new ATOM 0 HB3 PHE A 51 -2.140 -4.564 -6.139 1.00 3.11 H new ATOM 0 HD1 PHE A 51 0.357 -3.037 -4.113 1.00 74.24 H new ATOM 0 HD2 PHE A 51 -2.823 -2.129 -6.806 1.00 63.20 H new ATOM 0 HE1 PHE A 51 0.181 -0.779 -3.155 1.00 33.44 H new ATOM 0 HE2 PHE A 51 -2.994 0.122 -5.850 1.00 52.22 H new ATOM 0 HZ PHE A 51 -1.494 0.802 -4.025 1.00 72.53 H new ATOM 798 N ALA A 52 0.277 -5.522 -3.096 1.00 25.25 N ATOM 799 CA ALA A 52 -0.031 -5.930 -1.718 1.00 1.20 C ATOM 800 C ALA A 52 -0.075 -4.734 -0.749 1.00 31.20 C ATOM 801 O ALA A 52 0.678 -3.774 -0.896 1.00 74.33 O ATOM 802 CB ALA A 52 0.990 -6.960 -1.245 1.00 31.23 C ATOM 0 H ALA A 52 1.255 -5.276 -3.250 1.00 25.25 H new ATOM 0 HA ALA A 52 -1.027 -6.374 -1.720 1.00 1.20 H new ATOM 0 HB1 ALA A 52 0.758 -7.260 -0.223 1.00 31.23 H new ATOM 0 HB2 ALA A 52 0.954 -7.833 -1.896 1.00 31.23 H new ATOM 0 HB3 ALA A 52 1.988 -6.524 -1.277 1.00 31.23 H new ATOM 808 N VAL A 53 -0.959 -4.810 0.247 1.00 75.34 N ATOM 809 CA VAL A 53 -1.106 -3.749 1.257 1.00 22.24 C ATOM 810 C VAL A 53 -0.931 -4.316 2.682 1.00 54.31 C ATOM 811 O VAL A 53 -1.424 -5.397 2.991 1.00 32.42 O ATOM 812 CB VAL A 53 -2.492 -3.056 1.148 1.00 73.33 C ATOM 813 CG1 VAL A 53 -2.630 -1.928 2.172 1.00 35.04 C ATOM 814 CG2 VAL A 53 -2.730 -2.532 -0.268 1.00 31.35 C ATOM 0 H VAL A 53 -1.591 -5.600 0.380 1.00 75.34 H new ATOM 0 HA VAL A 53 -0.326 -3.012 1.065 1.00 22.24 H new ATOM 0 HB VAL A 53 -3.254 -3.804 1.368 1.00 73.33 H new ATOM 0 HG11 VAL A 53 -3.610 -1.463 2.071 1.00 35.04 H new ATOM 0 HG12 VAL A 53 -2.524 -2.335 3.178 1.00 35.04 H new ATOM 0 HG13 VAL A 53 -1.855 -1.182 1.998 1.00 35.04 H new ATOM 0 HG21 VAL A 53 -3.707 -2.051 -0.319 1.00 31.35 H new ATOM 0 HG22 VAL A 53 -1.956 -1.808 -0.523 1.00 31.35 H new ATOM 0 HG23 VAL A 53 -2.697 -3.362 -0.973 1.00 31.35 H new ATOM 824 N VAL A 54 -0.221 -3.588 3.541 1.00 24.41 N ATOM 825 CA VAL A 54 0.033 -4.026 4.924 1.00 33.50 C ATOM 826 C VAL A 54 -0.230 -2.887 5.923 1.00 12.21 C ATOM 827 O VAL A 54 0.049 -1.726 5.631 1.00 22.24 O ATOM 828 CB VAL A 54 1.500 -4.507 5.101 1.00 53.23 C ATOM 829 CG1 VAL A 54 1.732 -5.067 6.504 1.00 52.13 C ATOM 830 CG2 VAL A 54 1.873 -5.538 4.036 1.00 42.11 C ATOM 0 H VAL A 54 0.194 -2.686 3.308 1.00 24.41 H new ATOM 0 HA VAL A 54 -0.649 -4.853 5.123 1.00 33.50 H new ATOM 0 HB VAL A 54 2.149 -3.641 4.974 1.00 53.23 H new ATOM 0 HG11 VAL A 54 2.767 -5.396 6.598 1.00 52.13 H new ATOM 0 HG12 VAL A 54 1.529 -4.292 7.243 1.00 52.13 H new ATOM 0 HG13 VAL A 54 1.066 -5.913 6.673 1.00 52.13 H new ATOM 0 HG21 VAL A 54 2.905 -5.857 4.184 1.00 42.11 H new ATOM 0 HG22 VAL A 54 1.211 -6.400 4.117 1.00 42.11 H new ATOM 0 HG23 VAL A 54 1.769 -5.093 3.046 1.00 42.11 H new ATOM 840 N THR A 55 -0.771 -3.217 7.097 1.00 70.54 N ATOM 841 CA THR A 55 -0.966 -2.224 8.170 1.00 23.53 C ATOM 842 C THR A 55 -0.307 -2.694 9.471 1.00 3.34 C ATOM 843 O THR A 55 -0.615 -3.771 9.980 1.00 15.24 O ATOM 844 CB THR A 55 -2.463 -1.951 8.460 1.00 71.42 C ATOM 845 OG1 THR A 55 -3.063 -3.084 9.104 1.00 34.32 O ATOM 846 CG2 THR A 55 -3.226 -1.637 7.182 1.00 33.21 C ATOM 0 H THR A 55 -1.083 -4.159 7.334 1.00 70.54 H new ATOM 0 HA THR A 55 -0.503 -1.303 7.816 1.00 23.53 H new ATOM 0 HB THR A 55 -2.516 -1.085 9.120 1.00 71.42 H new ATOM 0 HG1 THR A 55 -4.039 -3.000 9.071 1.00 34.32 H new ATOM 0 HG21 THR A 55 -4.273 -1.450 7.420 1.00 33.21 H new ATOM 0 HG22 THR A 55 -2.798 -0.752 6.711 1.00 33.21 H new ATOM 0 HG23 THR A 55 -3.155 -2.483 6.498 1.00 33.21 H new ATOM 854 N LEU A 56 0.598 -1.886 10.014 1.00 62.25 N ATOM 855 CA LEU A 56 1.288 -2.228 11.265 1.00 61.14 C ATOM 856 C LEU A 56 1.177 -1.095 12.298 1.00 32.42 C ATOM 857 O LEU A 56 1.209 0.085 11.943 1.00 75.52 O ATOM 858 CB LEU A 56 2.767 -2.533 10.992 1.00 23.43 C ATOM 859 CG LEU A 56 3.040 -3.690 10.015 1.00 62.20 C ATOM 860 CD1 LEU A 56 4.530 -3.800 9.713 1.00 64.55 C ATOM 861 CD2 LEU A 56 2.513 -5.011 10.573 1.00 30.20 C ATOM 0 H LEU A 56 0.874 -0.990 9.613 1.00 62.25 H new ATOM 0 HA LEU A 56 0.803 -3.114 11.676 1.00 61.14 H new ATOM 0 HB2 LEU A 56 3.239 -1.632 10.600 1.00 23.43 H new ATOM 0 HB3 LEU A 56 3.253 -2.760 11.941 1.00 23.43 H new ATOM 0 HG LEU A 56 2.513 -3.476 9.086 1.00 62.20 H new ATOM 0 HD11 LEU A 56 4.701 -4.624 9.020 1.00 64.55 H new ATOM 0 HD12 LEU A 56 4.880 -2.870 9.264 1.00 64.55 H new ATOM 0 HD13 LEU A 56 5.076 -3.984 10.638 1.00 64.55 H new ATOM 0 HD21 LEU A 56 2.718 -5.813 9.864 1.00 30.20 H new ATOM 0 HD22 LEU A 56 3.007 -5.229 11.520 1.00 30.20 H new ATOM 0 HD23 LEU A 56 1.438 -4.935 10.734 1.00 30.20 H new ATOM 873 N PRO A 57 1.039 -1.444 13.596 1.00 31.44 N ATOM 874 CA PRO A 57 0.993 -0.451 14.685 1.00 64.15 C ATOM 875 C PRO A 57 2.246 0.440 14.723 1.00 51.14 C ATOM 876 O PRO A 57 2.161 1.655 14.543 1.00 75.04 O ATOM 877 CB PRO A 57 0.903 -1.315 15.957 1.00 41.41 C ATOM 878 CG PRO A 57 0.357 -2.622 15.493 1.00 35.43 C ATOM 879 CD PRO A 57 0.899 -2.822 14.104 1.00 43.35 C ATOM 0 HA PRO A 57 0.160 0.242 14.567 1.00 64.15 H new ATOM 0 HB2 PRO A 57 1.881 -1.438 16.422 1.00 41.41 H new ATOM 0 HB3 PRO A 57 0.252 -0.856 16.701 1.00 41.41 H new ATOM 0 HG2 PRO A 57 0.666 -3.432 16.154 1.00 35.43 H new ATOM 0 HG3 PRO A 57 -0.733 -2.612 15.490 1.00 35.43 H new ATOM 0 HD2 PRO A 57 1.855 -3.346 14.116 1.00 43.35 H new ATOM 0 HD3 PRO A 57 0.220 -3.411 13.488 1.00 43.35 H new ATOM 887 N SER A 58 3.414 -0.171 14.931 1.00 63.20 N ATOM 888 CA SER A 58 4.671 0.586 15.010 1.00 72.13 C ATOM 889 C SER A 58 5.867 -0.231 14.509 1.00 54.35 C ATOM 890 O SER A 58 5.909 -1.452 14.662 1.00 64.34 O ATOM 891 CB SER A 58 4.938 1.042 16.454 1.00 51.10 C ATOM 892 OG SER A 58 5.230 -0.052 17.313 1.00 13.33 O ATOM 0 H SER A 58 3.519 -1.179 15.047 1.00 63.20 H new ATOM 0 HA SER A 58 4.557 1.456 14.364 1.00 72.13 H new ATOM 0 HB2 SER A 58 5.772 1.743 16.464 1.00 51.10 H new ATOM 0 HB3 SER A 58 4.067 1.577 16.832 1.00 51.10 H new ATOM 0 HG SER A 58 5.395 0.280 18.220 1.00 13.33 H new ATOM 898 N ILE A 59 6.829 0.459 13.894 1.00 71.44 N ATOM 899 CA ILE A 59 8.097 -0.160 13.481 1.00 73.32 C ATOM 900 C ILE A 59 9.262 0.366 14.336 1.00 64.33 C ATOM 901 O ILE A 59 10.429 0.047 14.094 1.00 33.25 O ATOM 902 CB ILE A 59 8.403 0.106 11.983 1.00 52.50 C ATOM 903 CG1 ILE A 59 8.521 1.616 11.712 1.00 54.51 C ATOM 904 CG2 ILE A 59 7.326 -0.525 11.101 1.00 12.51 C ATOM 905 CD1 ILE A 59 8.846 1.966 10.272 1.00 35.11 C ATOM 0 H ILE A 59 6.757 1.451 13.669 1.00 71.44 H new ATOM 0 HA ILE A 59 7.991 -1.235 13.629 1.00 73.32 H new ATOM 0 HB ILE A 59 9.360 -0.355 11.737 1.00 52.50 H new ATOM 0 HG12 ILE A 59 7.583 2.098 11.988 1.00 54.51 H new ATOM 0 HG13 ILE A 59 9.295 2.030 12.358 1.00 54.51 H new ATOM 0 HG21 ILE A 59 7.554 -0.330 10.053 1.00 12.51 H new ATOM 0 HG22 ILE A 59 7.299 -1.601 11.273 1.00 12.51 H new ATOM 0 HG23 ILE A 59 6.356 -0.094 11.347 1.00 12.51 H new ATOM 0 HD11 ILE A 59 8.911 3.049 10.167 1.00 35.11 H new ATOM 0 HD12 ILE A 59 9.799 1.516 9.994 1.00 35.11 H new ATOM 0 HD13 ILE A 59 8.061 1.585 9.619 1.00 35.11 H new ATOM 917 N GLY A 60 8.928 1.179 15.337 1.00 71.23 N ATOM 918 CA GLY A 60 9.935 1.741 16.232 1.00 73.30 C ATOM 919 C GLY A 60 10.952 2.634 15.522 1.00 70.51 C ATOM 920 O GLY A 60 10.593 3.639 14.904 1.00 51.12 O ATOM 0 H GLY A 60 7.971 1.462 15.547 1.00 71.23 H new ATOM 0 HA2 GLY A 60 9.436 2.319 17.010 1.00 73.30 H new ATOM 0 HA3 GLY A 60 10.463 0.927 16.729 1.00 73.30 H new ATOM 924 N ASP A 61 12.227 2.261 15.609 1.00 12.02 N ATOM 925 CA ASP A 61 13.314 3.051 15.017 1.00 11.41 C ATOM 926 C ASP A 61 13.737 2.501 13.641 1.00 22.35 C ATOM 927 O ASP A 61 14.694 2.987 13.031 1.00 65.24 O ATOM 928 CB ASP A 61 14.513 3.061 15.972 1.00 31.10 C ATOM 929 CG ASP A 61 14.107 3.402 17.396 1.00 2.51 C ATOM 930 OD1 ASP A 61 13.946 4.602 17.708 1.00 72.42 O ATOM 931 OD2 ASP A 61 13.938 2.472 18.211 1.00 22.23 O ATOM 0 H ASP A 61 12.538 1.414 16.085 1.00 12.02 H new ATOM 0 HA ASP A 61 12.952 4.068 14.864 1.00 11.41 H new ATOM 0 HB2 ASP A 61 14.996 2.084 15.957 1.00 31.10 H new ATOM 0 HB3 ASP A 61 15.249 3.785 15.622 1.00 31.10 H new ATOM 936 N ALA A 62 13.018 1.491 13.154 1.00 32.51 N ATOM 937 CA ALA A 62 13.330 0.863 11.864 1.00 62.14 C ATOM 938 C ALA A 62 13.055 1.815 10.685 1.00 34.12 C ATOM 939 O ALA A 62 12.067 2.554 10.690 1.00 74.23 O ATOM 940 CB ALA A 62 12.533 -0.430 11.702 1.00 30.51 C ATOM 0 H ALA A 62 12.213 1.087 13.632 1.00 32.51 H new ATOM 0 HA ALA A 62 14.395 0.630 11.856 1.00 62.14 H new ATOM 0 HB1 ALA A 62 12.772 -0.887 10.742 1.00 30.51 H new ATOM 0 HB2 ALA A 62 12.790 -1.119 12.506 1.00 30.51 H new ATOM 0 HB3 ALA A 62 11.467 -0.208 11.742 1.00 30.51 H new ATOM 946 N PRO A 63 13.928 1.817 9.659 1.00 75.34 N ATOM 947 CA PRO A 63 13.749 2.672 8.476 1.00 20.05 C ATOM 948 C PRO A 63 12.663 2.137 7.519 1.00 1.10 C ATOM 949 O PRO A 63 12.721 0.987 7.080 1.00 2.10 O ATOM 950 CB PRO A 63 15.133 2.640 7.815 1.00 62.25 C ATOM 951 CG PRO A 63 15.704 1.315 8.198 1.00 21.41 C ATOM 952 CD PRO A 63 15.152 0.991 9.565 1.00 35.31 C ATOM 0 HA PRO A 63 13.411 3.675 8.737 1.00 20.05 H new ATOM 0 HB2 PRO A 63 15.057 2.741 6.732 1.00 62.25 H new ATOM 0 HB3 PRO A 63 15.760 3.459 8.168 1.00 62.25 H new ATOM 0 HG2 PRO A 63 15.425 0.548 7.475 1.00 21.41 H new ATOM 0 HG3 PRO A 63 16.793 1.353 8.218 1.00 21.41 H new ATOM 0 HD2 PRO A 63 14.926 -0.071 9.663 1.00 35.31 H new ATOM 0 HD3 PRO A 63 15.863 1.240 10.352 1.00 35.31 H new ATOM 960 N LEU A 64 11.684 2.983 7.191 1.00 61.34 N ATOM 961 CA LEU A 64 10.554 2.580 6.340 1.00 34.00 C ATOM 962 C LEU A 64 11.028 2.078 4.964 1.00 53.44 C ATOM 963 O LEU A 64 10.524 1.075 4.442 1.00 13.21 O ATOM 964 CB LEU A 64 9.585 3.762 6.166 1.00 71.40 C ATOM 965 CG LEU A 64 8.293 3.443 5.399 1.00 44.23 C ATOM 966 CD1 LEU A 64 7.500 2.348 6.109 1.00 31.33 C ATOM 967 CD2 LEU A 64 7.446 4.702 5.221 1.00 21.23 C ATOM 0 H LEU A 64 11.648 3.954 7.501 1.00 61.34 H new ATOM 0 HA LEU A 64 10.040 1.755 6.833 1.00 34.00 H new ATOM 0 HB2 LEU A 64 9.318 4.140 7.153 1.00 71.40 H new ATOM 0 HB3 LEU A 64 10.107 4.566 5.647 1.00 71.40 H new ATOM 0 HG LEU A 64 8.564 3.076 4.409 1.00 44.23 H new ATOM 0 HD11 LEU A 64 6.589 2.137 5.549 1.00 31.33 H new ATOM 0 HD12 LEU A 64 8.105 1.443 6.172 1.00 31.33 H new ATOM 0 HD13 LEU A 64 7.240 2.681 7.114 1.00 31.33 H new ATOM 0 HD21 LEU A 64 6.536 4.454 4.675 1.00 21.23 H new ATOM 0 HD22 LEU A 64 7.184 5.106 6.199 1.00 21.23 H new ATOM 0 HD23 LEU A 64 8.013 5.446 4.661 1.00 21.23 H new ATOM 979 N GLU A 65 12.004 2.782 4.393 1.00 44.25 N ATOM 980 CA GLU A 65 12.586 2.419 3.093 1.00 43.31 C ATOM 981 C GLU A 65 13.046 0.952 3.084 1.00 52.32 C ATOM 982 O GLU A 65 12.567 0.138 2.294 1.00 41.11 O ATOM 983 CB GLU A 65 13.785 3.334 2.785 1.00 35.54 C ATOM 984 CG GLU A 65 13.510 4.824 2.985 1.00 44.32 C ATOM 985 CD GLU A 65 12.530 5.412 1.979 1.00 54.51 C ATOM 986 OE1 GLU A 65 11.309 5.259 2.167 1.00 72.45 O ATOM 987 OE2 GLU A 65 12.985 6.055 1.004 1.00 74.22 O ATOM 0 H GLU A 65 12.415 3.616 4.812 1.00 44.25 H new ATOM 0 HA GLU A 65 11.818 2.546 2.330 1.00 43.31 H new ATOM 0 HB2 GLU A 65 14.621 3.043 3.421 1.00 35.54 H new ATOM 0 HB3 GLU A 65 14.096 3.170 1.753 1.00 35.54 H new ATOM 0 HG2 GLU A 65 13.120 4.979 3.991 1.00 44.32 H new ATOM 0 HG3 GLU A 65 14.452 5.369 2.921 1.00 44.32 H new ATOM 994 N ASP A 66 13.966 0.630 3.990 1.00 30.01 N ATOM 995 CA ASP A 66 14.509 -0.725 4.110 1.00 42.12 C ATOM 996 C ASP A 66 13.422 -1.738 4.495 1.00 64.13 C ATOM 997 O ASP A 66 13.374 -2.848 3.958 1.00 52.22 O ATOM 998 CB ASP A 66 15.627 -0.735 5.157 1.00 4.42 C ATOM 999 CG ASP A 66 16.781 0.172 4.772 1.00 25.03 C ATOM 1000 OD1 ASP A 66 16.617 1.410 4.824 1.00 52.41 O ATOM 1001 OD2 ASP A 66 17.852 -0.348 4.397 1.00 32.11 O ATOM 0 H ASP A 66 14.355 1.295 4.659 1.00 30.01 H new ATOM 0 HA ASP A 66 14.907 -1.020 3.139 1.00 42.12 H new ATOM 0 HB2 ASP A 66 15.224 -0.419 6.119 1.00 4.42 H new ATOM 0 HB3 ASP A 66 15.994 -1.753 5.284 1.00 4.42 H new ATOM 1006 N PHE A 67 12.547 -1.342 5.421 1.00 24.11 N ATOM 1007 CA PHE A 67 11.486 -2.224 5.922 1.00 51.03 C ATOM 1008 C PHE A 67 10.640 -2.807 4.776 1.00 62.32 C ATOM 1009 O PHE A 67 10.414 -4.019 4.708 1.00 41.41 O ATOM 1010 CB PHE A 67 10.583 -1.459 6.901 1.00 13.33 C ATOM 1011 CG PHE A 67 9.601 -2.341 7.633 1.00 30.42 C ATOM 1012 CD1 PHE A 67 8.352 -2.616 7.095 1.00 23.34 C ATOM 1013 CD2 PHE A 67 9.933 -2.897 8.860 1.00 24.12 C ATOM 1014 CE1 PHE A 67 7.460 -3.432 7.761 1.00 61.12 C ATOM 1015 CE2 PHE A 67 9.044 -3.712 9.530 1.00 60.40 C ATOM 1016 CZ PHE A 67 7.805 -3.977 8.983 1.00 64.34 C ATOM 0 H PHE A 67 12.551 -0.413 5.842 1.00 24.11 H new ATOM 0 HA PHE A 67 11.965 -3.055 6.440 1.00 51.03 H new ATOM 0 HB2 PHE A 67 11.207 -0.942 7.630 1.00 13.33 H new ATOM 0 HB3 PHE A 67 10.033 -0.694 6.353 1.00 13.33 H new ATOM 0 HD1 PHE A 67 8.074 -2.186 6.144 1.00 23.34 H new ATOM 0 HD2 PHE A 67 10.899 -2.689 9.296 1.00 24.12 H new ATOM 0 HE1 PHE A 67 6.494 -3.644 7.328 1.00 61.12 H new ATOM 0 HE2 PHE A 67 9.318 -4.142 10.482 1.00 60.40 H new ATOM 0 HZ PHE A 67 7.106 -4.610 9.509 1.00 64.34 H new ATOM 1026 N THR A 68 10.176 -1.937 3.880 1.00 74.42 N ATOM 1027 CA THR A 68 9.365 -2.366 2.730 1.00 31.12 C ATOM 1028 C THR A 68 10.100 -3.399 1.865 1.00 62.11 C ATOM 1029 O THR A 68 9.543 -4.444 1.529 1.00 33.55 O ATOM 1030 CB THR A 68 8.952 -1.171 1.835 1.00 51.41 C ATOM 1031 OG1 THR A 68 10.112 -0.444 1.401 1.00 42.15 O ATOM 1032 CG2 THR A 68 8.007 -0.230 2.572 1.00 75.44 C ATOM 0 H THR A 68 10.345 -0.932 3.924 1.00 74.42 H new ATOM 0 HA THR A 68 8.470 -2.823 3.152 1.00 31.12 H new ATOM 0 HB THR A 68 8.432 -1.574 0.966 1.00 51.41 H new ATOM 0 HG1 THR A 68 10.816 -0.517 2.078 1.00 42.15 H new ATOM 0 HG21 THR A 68 7.735 0.598 1.918 1.00 75.44 H new ATOM 0 HG22 THR A 68 7.108 -0.772 2.864 1.00 75.44 H new ATOM 0 HG23 THR A 68 8.501 0.158 3.463 1.00 75.44 H new ATOM 1040 N LEU A 69 11.352 -3.109 1.515 1.00 63.03 N ATOM 1041 CA LEU A 69 12.171 -4.032 0.717 1.00 32.24 C ATOM 1042 C LEU A 69 12.326 -5.403 1.410 1.00 65.23 C ATOM 1043 O LEU A 69 12.181 -6.453 0.776 1.00 4.43 O ATOM 1044 CB LEU A 69 13.554 -3.416 0.453 1.00 13.24 C ATOM 1045 CG LEU A 69 14.518 -4.287 -0.372 1.00 4.31 C ATOM 1046 CD1 LEU A 69 13.946 -4.565 -1.762 1.00 62.52 C ATOM 1047 CD2 LEU A 69 15.891 -3.624 -0.470 1.00 41.44 C ATOM 0 H LEU A 69 11.826 -2.242 1.770 1.00 63.03 H new ATOM 0 HA LEU A 69 11.659 -4.195 -0.231 1.00 32.24 H new ATOM 0 HB2 LEU A 69 13.417 -2.466 -0.064 1.00 13.24 H new ATOM 0 HB3 LEU A 69 14.023 -3.193 1.412 1.00 13.24 H new ATOM 0 HG LEU A 69 14.637 -5.242 0.139 1.00 4.31 H new ATOM 0 HD11 LEU A 69 14.645 -5.182 -2.326 1.00 62.52 H new ATOM 0 HD12 LEU A 69 12.995 -5.089 -1.666 1.00 62.52 H new ATOM 0 HD13 LEU A 69 13.789 -3.622 -2.286 1.00 62.52 H new ATOM 0 HD21 LEU A 69 16.559 -4.255 -1.057 1.00 41.44 H new ATOM 0 HD22 LEU A 69 15.792 -2.652 -0.953 1.00 41.44 H new ATOM 0 HD23 LEU A 69 16.303 -3.491 0.530 1.00 41.44 H new ATOM 1059 N LYS A 70 12.616 -5.381 2.712 1.00 3.13 N ATOM 1060 CA LYS A 70 12.776 -6.611 3.504 1.00 34.35 C ATOM 1061 C LYS A 70 11.528 -7.506 3.421 1.00 5.51 C ATOM 1062 O LYS A 70 11.629 -8.722 3.234 1.00 54.44 O ATOM 1063 CB LYS A 70 13.062 -6.259 4.971 1.00 23.14 C ATOM 1064 CG LYS A 70 14.374 -5.506 5.191 1.00 21.35 C ATOM 1065 CD LYS A 70 15.600 -6.376 4.910 1.00 45.51 C ATOM 1066 CE LYS A 70 15.686 -7.560 5.868 1.00 22.11 C ATOM 1067 NZ LYS A 70 16.910 -8.373 5.644 1.00 1.22 N ATOM 0 H LYS A 70 12.746 -4.522 3.247 1.00 3.13 H new ATOM 0 HA LYS A 70 13.617 -7.165 3.088 1.00 34.35 H new ATOM 0 HB2 LYS A 70 12.240 -5.654 5.355 1.00 23.14 H new ATOM 0 HB3 LYS A 70 13.081 -7.178 5.556 1.00 23.14 H new ATOM 0 HG2 LYS A 70 14.399 -4.629 4.545 1.00 21.35 H new ATOM 0 HG3 LYS A 70 14.415 -5.146 6.219 1.00 21.35 H new ATOM 0 HD2 LYS A 70 15.559 -6.741 3.884 1.00 45.51 H new ATOM 0 HD3 LYS A 70 16.503 -5.771 4.998 1.00 45.51 H new ATOM 0 HE2 LYS A 70 15.676 -7.196 6.895 1.00 22.11 H new ATOM 0 HE3 LYS A 70 14.805 -8.190 5.745 1.00 22.11 H new ATOM 0 HZ1 LYS A 70 16.928 -9.166 6.316 1.00 1.22 H new ATOM 0 HZ2 LYS A 70 16.908 -8.743 4.672 1.00 1.22 H new ATOM 0 HZ3 LYS A 70 17.752 -7.779 5.787 1.00 1.22 H new ATOM 1081 N LEU A 71 10.353 -6.897 3.566 1.00 65.44 N ATOM 1082 CA LEU A 71 9.082 -7.629 3.498 1.00 43.45 C ATOM 1083 C LEU A 71 8.748 -8.038 2.049 1.00 15.13 C ATOM 1084 O LEU A 71 8.240 -9.132 1.795 1.00 25.31 O ATOM 1085 CB LEU A 71 7.955 -6.761 4.082 1.00 73.14 C ATOM 1086 CG LEU A 71 6.569 -7.429 4.166 1.00 12.50 C ATOM 1087 CD1 LEU A 71 6.601 -8.652 5.081 1.00 33.11 C ATOM 1088 CD2 LEU A 71 5.520 -6.426 4.643 1.00 64.43 C ATOM 0 H LEU A 71 10.251 -5.896 3.732 1.00 65.44 H new ATOM 0 HA LEU A 71 9.178 -8.542 4.086 1.00 43.45 H new ATOM 0 HB2 LEU A 71 8.247 -6.446 5.084 1.00 73.14 H new ATOM 0 HB3 LEU A 71 7.866 -5.859 3.477 1.00 73.14 H new ATOM 0 HG LEU A 71 6.296 -7.767 3.166 1.00 12.50 H new ATOM 0 HD11 LEU A 71 5.609 -9.103 5.121 1.00 33.11 H new ATOM 0 HD12 LEU A 71 7.314 -9.379 4.692 1.00 33.11 H new ATOM 0 HD13 LEU A 71 6.902 -8.348 6.084 1.00 33.11 H new ATOM 0 HD21 LEU A 71 4.547 -6.915 4.696 1.00 64.43 H new ATOM 0 HD22 LEU A 71 5.794 -6.055 5.630 1.00 64.43 H new ATOM 0 HD23 LEU A 71 5.469 -5.592 3.943 1.00 64.43 H new ATOM 1100 N ALA A 72 9.052 -7.155 1.103 1.00 72.20 N ATOM 1101 CA ALA A 72 8.778 -7.404 -0.318 1.00 33.33 C ATOM 1102 C ALA A 72 9.485 -8.673 -0.831 1.00 53.33 C ATOM 1103 O ALA A 72 8.949 -9.402 -1.673 1.00 45.11 O ATOM 1104 CB ALA A 72 9.197 -6.189 -1.145 1.00 34.24 C ATOM 0 H ALA A 72 9.491 -6.254 1.291 1.00 72.20 H new ATOM 0 HA ALA A 72 7.706 -7.568 -0.427 1.00 33.33 H new ATOM 0 HB1 ALA A 72 8.992 -6.378 -2.199 1.00 34.24 H new ATOM 0 HB2 ALA A 72 8.635 -5.314 -0.817 1.00 34.24 H new ATOM 0 HB3 ALA A 72 10.263 -6.007 -1.010 1.00 34.24 H new ATOM 1110 N ARG A 73 10.689 -8.931 -0.317 1.00 52.20 N ATOM 1111 CA ARG A 73 11.480 -10.101 -0.726 1.00 13.21 C ATOM 1112 C ARG A 73 10.765 -11.429 -0.413 1.00 62.12 C ATOM 1113 O ARG A 73 10.575 -12.266 -1.300 1.00 54.25 O ATOM 1114 CB ARG A 73 12.861 -10.073 -0.052 1.00 72.02 C ATOM 1115 CG ARG A 73 13.762 -8.941 -0.544 1.00 23.14 C ATOM 1116 CD ARG A 73 15.129 -8.959 0.136 1.00 73.02 C ATOM 1117 NE ARG A 73 16.046 -7.986 -0.457 1.00 4.34 N ATOM 1118 CZ ARG A 73 17.192 -7.636 0.066 1.00 71.54 C ATOM 1119 NH1 ARG A 73 17.576 -8.123 1.204 1.00 31.12 N ATOM 1120 NH2 ARG A 73 17.950 -6.792 -0.556 1.00 23.31 N ATOM 0 H ARG A 73 11.142 -8.346 0.385 1.00 52.20 H new ATOM 0 HA ARG A 73 11.602 -10.044 -1.808 1.00 13.21 H new ATOM 0 HB2 ARG A 73 12.728 -9.977 1.026 1.00 72.02 H new ATOM 0 HB3 ARG A 73 13.361 -11.026 -0.228 1.00 72.02 H new ATOM 0 HG2 ARG A 73 13.893 -9.025 -1.623 1.00 23.14 H new ATOM 0 HG3 ARG A 73 13.276 -7.984 -0.356 1.00 23.14 H new ATOM 0 HD2 ARG A 73 15.009 -8.744 1.198 1.00 73.02 H new ATOM 0 HD3 ARG A 73 15.560 -9.957 0.059 1.00 73.02 H new ATOM 0 HE ARG A 73 15.773 -7.551 -1.338 1.00 4.34 H new ATOM 0 HH11 ARG A 73 16.982 -8.787 1.701 1.00 31.12 H new ATOM 0 HH12 ARG A 73 18.472 -7.843 1.602 1.00 31.12 H new ATOM 0 HH21 ARG A 73 17.653 -6.403 -1.451 1.00 23.31 H new ATOM 0 HH22 ARG A 73 18.845 -6.516 -0.152 1.00 23.31 H new ATOM 1134 N GLN A 74 10.363 -11.613 0.841 1.00 12.41 N ATOM 1135 CA GLN A 74 9.703 -12.857 1.268 1.00 15.01 C ATOM 1136 C GLN A 74 8.314 -13.036 0.623 1.00 64.52 C ATOM 1137 O GLN A 74 7.840 -14.160 0.452 1.00 42.41 O ATOM 1138 CB GLN A 74 9.574 -12.902 2.798 1.00 64.12 C ATOM 1139 CG GLN A 74 8.966 -11.643 3.402 1.00 10.32 C ATOM 1140 CD GLN A 74 8.584 -11.812 4.860 1.00 43.43 C ATOM 1141 OE1 GLN A 74 7.458 -12.175 5.179 1.00 33.43 O ATOM 1142 NE2 GLN A 74 9.520 -11.569 5.753 1.00 2.15 N ATOM 0 H GLN A 74 10.479 -10.922 1.583 1.00 12.41 H new ATOM 0 HA GLN A 74 10.333 -13.680 0.930 1.00 15.01 H new ATOM 0 HB2 GLN A 74 8.961 -13.759 3.076 1.00 64.12 H new ATOM 0 HB3 GLN A 74 10.561 -13.061 3.232 1.00 64.12 H new ATOM 0 HG2 GLN A 74 9.678 -10.822 3.311 1.00 10.32 H new ATOM 0 HG3 GLN A 74 8.081 -11.363 2.830 1.00 10.32 H new ATOM 0 HE21 GLN A 74 10.447 -11.268 5.451 1.00 2.15 H new ATOM 0 HE22 GLN A 74 9.318 -11.681 6.747 1.00 2.15 H new ATOM 1151 N TRP A 75 7.659 -11.929 0.277 1.00 71.12 N ATOM 1152 CA TRP A 75 6.341 -11.986 -0.377 1.00 63.22 C ATOM 1153 C TRP A 75 6.461 -12.261 -1.886 1.00 43.22 C ATOM 1154 O TRP A 75 5.471 -12.573 -2.549 1.00 24.44 O ATOM 1155 CB TRP A 75 5.557 -10.690 -0.116 1.00 30.23 C ATOM 1156 CG TRP A 75 5.078 -10.569 1.306 1.00 4.20 C ATOM 1157 CD1 TRP A 75 5.693 -11.065 2.420 1.00 3.21 C ATOM 1158 CD2 TRP A 75 3.892 -9.911 1.767 1.00 10.43 C ATOM 1159 NE1 TRP A 75 4.958 -10.771 3.538 1.00 10.11 N ATOM 1160 CE2 TRP A 75 3.851 -10.061 3.167 1.00 74.42 C ATOM 1161 CE3 TRP A 75 2.857 -9.215 1.135 1.00 1.23 C ATOM 1162 CZ2 TRP A 75 2.824 -9.540 3.942 1.00 11.22 C ATOM 1163 CZ3 TRP A 75 1.836 -8.696 1.911 1.00 42.41 C ATOM 1164 CH2 TRP A 75 1.828 -8.863 3.300 1.00 32.03 C ATOM 0 H TRP A 75 8.012 -10.985 0.435 1.00 71.12 H new ATOM 0 HA TRP A 75 5.791 -12.821 0.058 1.00 63.22 H new ATOM 0 HB2 TRP A 75 6.189 -9.835 -0.355 1.00 30.23 H new ATOM 0 HB3 TRP A 75 4.699 -10.649 -0.787 1.00 30.23 H new ATOM 0 HD1 TRP A 75 6.625 -11.611 2.420 1.00 3.21 H new ATOM 0 HE1 TRP A 75 5.198 -11.039 4.493 1.00 10.11 H new ATOM 0 HE3 TRP A 75 2.855 -9.085 0.063 1.00 1.23 H new ATOM 0 HZ2 TRP A 75 2.814 -9.666 5.015 1.00 11.22 H new ATOM 0 HZ3 TRP A 75 1.032 -8.153 1.437 1.00 42.41 H new ATOM 0 HH2 TRP A 75 1.015 -8.447 3.877 1.00 32.03 H new ATOM 1175 N GLY A 76 7.679 -12.155 -2.419 1.00 1.12 N ATOM 1176 CA GLY A 76 7.924 -12.481 -3.824 1.00 24.51 C ATOM 1177 C GLY A 76 7.871 -11.275 -4.761 1.00 62.40 C ATOM 1178 O GLY A 76 8.106 -11.406 -5.961 1.00 74.24 O ATOM 0 H GLY A 76 8.505 -11.849 -1.904 1.00 1.12 H new ATOM 0 HA2 GLY A 76 8.903 -12.953 -3.911 1.00 24.51 H new ATOM 0 HA3 GLY A 76 7.186 -13.214 -4.150 1.00 24.51 H new ATOM 1182 N VAL A 77 7.571 -10.096 -4.220 1.00 34.24 N ATOM 1183 CA VAL A 77 7.439 -8.883 -5.032 1.00 54.04 C ATOM 1184 C VAL A 77 8.690 -7.983 -4.966 1.00 54.22 C ATOM 1185 O VAL A 77 8.773 -6.975 -5.667 1.00 50.20 O ATOM 1186 CB VAL A 77 6.197 -8.074 -4.594 1.00 13.20 C ATOM 1187 CG1 VAL A 77 4.915 -8.841 -4.917 1.00 64.12 C ATOM 1188 CG2 VAL A 77 6.264 -7.729 -3.106 1.00 62.23 C ATOM 0 H VAL A 77 7.414 -9.952 -3.222 1.00 34.24 H new ATOM 0 HA VAL A 77 7.325 -9.211 -6.065 1.00 54.04 H new ATOM 0 HB VAL A 77 6.187 -7.139 -5.154 1.00 13.20 H new ATOM 0 HG11 VAL A 77 4.051 -8.256 -4.601 1.00 64.12 H new ATOM 0 HG12 VAL A 77 4.859 -9.020 -5.991 1.00 64.12 H new ATOM 0 HG13 VAL A 77 4.919 -9.795 -4.390 1.00 64.12 H new ATOM 0 HG21 VAL A 77 5.378 -7.160 -2.824 1.00 62.23 H new ATOM 0 HG22 VAL A 77 6.306 -8.648 -2.521 1.00 62.23 H new ATOM 0 HG23 VAL A 77 7.155 -7.133 -2.910 1.00 62.23 H new ATOM 1256 N ASN A 82 10.837 -8.043 -8.630 1.00 31.14 N ATOM 1257 CA ASN A 82 9.690 -8.625 -9.335 1.00 1.10 C ATOM 1258 C ASN A 82 9.098 -7.627 -10.347 1.00 52.33 C ATOM 1259 O ASN A 82 8.877 -6.456 -10.035 1.00 13.14 O ATOM 1260 CB ASN A 82 8.629 -9.064 -8.308 1.00 71.43 C ATOM 1261 CG ASN A 82 7.339 -9.602 -8.923 1.00 44.32 C ATOM 1262 OD1 ASN A 82 6.898 -9.162 -9.974 1.00 73.20 O ATOM 1263 ND2 ASN A 82 6.720 -10.561 -8.264 1.00 22.43 N ATOM 0 HA ASN A 82 10.024 -9.497 -9.897 1.00 1.10 H new ATOM 0 HB2 ASN A 82 9.059 -9.833 -7.666 1.00 71.43 H new ATOM 0 HB3 ASN A 82 8.386 -8.215 -7.670 1.00 71.43 H new ATOM 0 HD21 ASN A 82 5.852 -10.953 -8.630 1.00 22.43 H new ATOM 0 HD22 ASN A 82 7.109 -10.911 -7.388 1.00 22.43 H new ATOM 1270 N ASN A 83 8.853 -8.102 -11.564 1.00 73.51 N ATOM 1271 CA ASN A 83 8.232 -7.290 -12.618 1.00 43.15 C ATOM 1272 C ASN A 83 6.922 -6.603 -12.153 1.00 11.32 C ATOM 1273 O ASN A 83 6.860 -5.377 -12.066 1.00 45.31 O ATOM 1274 CB ASN A 83 8.007 -8.140 -13.885 1.00 23.42 C ATOM 1275 CG ASN A 83 7.139 -9.378 -13.674 1.00 21.55 C ATOM 1276 OD1 ASN A 83 7.039 -9.853 -12.450 1.00 13.21 O flip ATOM 1277 ND2 ASN A 83 6.545 -9.894 -14.612 1.00 35.25 N flip ATOM 0 H ASN A 83 9.076 -9.055 -11.852 1.00 73.51 H new ATOM 0 HA ASN A 83 8.925 -6.483 -12.857 1.00 43.15 H new ATOM 0 HB2 ASN A 83 7.545 -7.515 -14.649 1.00 23.42 H new ATOM 0 HB3 ASN A 83 8.976 -8.454 -14.273 1.00 23.42 H new ATOM 0 HD21 ASN A 83 6.639 -9.506 -15.551 1.00 35.25 H new ATOM 0 HD22 ASN A 83 5.956 -10.712 -14.455 1.00 35.25 H new ATOM 1284 N ASN A 84 5.892 -7.380 -11.826 1.00 35.14 N ATOM 1285 CA ASN A 84 4.599 -6.812 -11.417 1.00 3.01 C ATOM 1286 C ASN A 84 4.537 -6.541 -9.902 1.00 21.41 C ATOM 1287 O ASN A 84 3.483 -6.189 -9.375 1.00 75.31 O ATOM 1288 CB ASN A 84 3.463 -7.759 -11.809 1.00 54.30 C ATOM 1289 CG ASN A 84 3.400 -8.017 -13.303 1.00 51.15 C ATOM 1290 OD1 ASN A 84 3.996 -8.960 -13.805 1.00 44.40 O ATOM 1291 ND2 ASN A 84 2.674 -7.185 -14.025 1.00 60.43 N ATOM 0 H ASN A 84 5.922 -8.400 -11.834 1.00 35.14 H new ATOM 0 HA ASN A 84 4.488 -5.859 -11.933 1.00 3.01 H new ATOM 0 HB2 ASN A 84 3.590 -8.707 -11.286 1.00 54.30 H new ATOM 0 HB3 ASN A 84 2.514 -7.337 -11.478 1.00 54.30 H new ATOM 0 HD21 ASN A 84 2.597 -7.318 -15.033 1.00 60.43 H new ATOM 0 HD22 ASN A 84 2.189 -6.408 -13.575 1.00 60.43 H new ATOM 1298 N GLY A 85 5.669 -6.686 -9.220 1.00 61.10 N ATOM 1299 CA GLY A 85 5.700 -6.570 -7.763 1.00 1.34 C ATOM 1300 C GLY A 85 5.546 -5.144 -7.231 1.00 75.34 C ATOM 1301 O GLY A 85 6.312 -4.247 -7.598 1.00 2.51 O ATOM 0 H GLY A 85 6.573 -6.883 -9.649 1.00 61.10 H new ATOM 0 HA2 GLY A 85 4.904 -7.187 -7.346 1.00 1.34 H new ATOM 0 HA3 GLY A 85 6.643 -6.979 -7.400 1.00 1.34 H new ATOM 1305 N LEU A 86 4.555 -4.942 -6.357 1.00 71.30 N ATOM 1306 CA LEU A 86 4.345 -3.657 -5.679 1.00 3.05 C ATOM 1307 C LEU A 86 3.848 -3.875 -4.239 1.00 11.15 C ATOM 1308 O LEU A 86 2.792 -4.471 -4.019 1.00 42.23 O ATOM 1309 CB LEU A 86 3.337 -2.797 -6.460 1.00 42.43 C ATOM 1310 CG LEU A 86 3.039 -1.409 -5.865 1.00 41.54 C ATOM 1311 CD1 LEU A 86 4.321 -0.590 -5.722 1.00 31.52 C ATOM 1312 CD2 LEU A 86 2.015 -0.667 -6.724 1.00 62.20 C ATOM 0 H LEU A 86 3.878 -5.660 -6.100 1.00 71.30 H new ATOM 0 HA LEU A 86 5.300 -3.133 -5.640 1.00 3.05 H new ATOM 0 HB2 LEU A 86 3.711 -2.664 -7.475 1.00 42.43 H new ATOM 0 HB3 LEU A 86 2.400 -3.348 -6.536 1.00 42.43 H new ATOM 0 HG LEU A 86 2.617 -1.548 -4.870 1.00 41.54 H new ATOM 0 HD11 LEU A 86 4.084 0.386 -5.300 1.00 31.52 H new ATOM 0 HD12 LEU A 86 5.015 -1.112 -5.063 1.00 31.52 H new ATOM 0 HD13 LEU A 86 4.781 -0.459 -6.702 1.00 31.52 H new ATOM 0 HD21 LEU A 86 1.816 0.312 -6.289 1.00 62.20 H new ATOM 0 HD22 LEU A 86 2.408 -0.542 -7.733 1.00 62.20 H new ATOM 0 HD23 LEU A 86 1.089 -1.241 -6.764 1.00 62.20 H new ATOM 1324 N LEU A 87 4.614 -3.396 -3.261 1.00 74.24 N ATOM 1325 CA LEU A 87 4.242 -3.536 -1.846 1.00 33.02 C ATOM 1326 C LEU A 87 3.872 -2.180 -1.222 1.00 44.32 C ATOM 1327 O LEU A 87 4.562 -1.185 -1.425 1.00 4.14 O ATOM 1328 CB LEU A 87 5.395 -4.173 -1.054 1.00 74.40 C ATOM 1329 CG LEU A 87 5.099 -4.449 0.432 1.00 52.42 C ATOM 1330 CD1 LEU A 87 3.947 -5.441 0.584 1.00 3.54 C ATOM 1331 CD2 LEU A 87 6.348 -4.959 1.145 1.00 21.13 C ATOM 0 H LEU A 87 5.496 -2.907 -3.417 1.00 74.24 H new ATOM 0 HA LEU A 87 3.366 -4.182 -1.798 1.00 33.02 H new ATOM 0 HB2 LEU A 87 5.668 -5.113 -1.534 1.00 74.40 H new ATOM 0 HB3 LEU A 87 6.264 -3.518 -1.119 1.00 74.40 H new ATOM 0 HG LEU A 87 4.799 -3.510 0.897 1.00 52.42 H new ATOM 0 HD11 LEU A 87 3.758 -5.619 1.643 1.00 3.54 H new ATOM 0 HD12 LEU A 87 3.050 -5.031 0.119 1.00 3.54 H new ATOM 0 HD13 LEU A 87 4.210 -6.381 0.099 1.00 3.54 H new ATOM 0 HD21 LEU A 87 6.117 -5.148 2.193 1.00 21.13 H new ATOM 0 HD22 LEU A 87 6.683 -5.884 0.675 1.00 21.13 H new ATOM 0 HD23 LEU A 87 7.137 -4.210 1.076 1.00 21.13 H new ATOM 1343 N LEU A 88 2.784 -2.153 -0.461 1.00 41.30 N ATOM 1344 CA LEU A 88 2.343 -0.941 0.238 1.00 52.04 C ATOM 1345 C LEU A 88 2.282 -1.176 1.756 1.00 51.21 C ATOM 1346 O LEU A 88 1.405 -1.880 2.247 1.00 72.43 O ATOM 1347 CB LEU A 88 0.966 -0.497 -0.285 1.00 53.04 C ATOM 1348 CG LEU A 88 0.345 0.717 0.430 1.00 74.23 C ATOM 1349 CD1 LEU A 88 1.272 1.923 0.348 1.00 42.23 C ATOM 1350 CD2 LEU A 88 -1.028 1.045 -0.159 1.00 0.13 C ATOM 0 H LEU A 88 2.183 -2.963 -0.308 1.00 41.30 H new ATOM 0 HA LEU A 88 3.068 -0.151 0.042 1.00 52.04 H new ATOM 0 HB2 LEU A 88 1.058 -0.264 -1.346 1.00 53.04 H new ATOM 0 HB3 LEU A 88 0.277 -1.337 -0.202 1.00 53.04 H new ATOM 0 HG LEU A 88 0.212 0.464 1.482 1.00 74.23 H new ATOM 0 HD11 LEU A 88 0.814 2.770 0.859 1.00 42.23 H new ATOM 0 HD12 LEU A 88 2.223 1.684 0.823 1.00 42.23 H new ATOM 0 HD13 LEU A 88 1.443 2.180 -0.697 1.00 42.23 H new ATOM 0 HD21 LEU A 88 -1.450 1.906 0.360 1.00 0.13 H new ATOM 0 HD22 LEU A 88 -0.923 1.276 -1.219 1.00 0.13 H new ATOM 0 HD23 LEU A 88 -1.690 0.188 -0.038 1.00 0.13 H new ATOM 1362 N VAL A 89 3.217 -0.585 2.497 1.00 1.43 N ATOM 1363 CA VAL A 89 3.262 -0.752 3.957 1.00 40.10 C ATOM 1364 C VAL A 89 2.844 0.530 4.699 1.00 41.55 C ATOM 1365 O VAL A 89 3.463 1.583 4.540 1.00 74.35 O ATOM 1366 CB VAL A 89 4.677 -1.177 4.433 1.00 75.15 C ATOM 1367 CG1 VAL A 89 4.710 -1.344 5.953 1.00 72.42 C ATOM 1368 CG2 VAL A 89 5.118 -2.465 3.736 1.00 2.31 C ATOM 0 H VAL A 89 3.952 0.012 2.118 1.00 1.43 H new ATOM 0 HA VAL A 89 2.548 -1.540 4.196 1.00 40.10 H new ATOM 0 HB VAL A 89 5.378 -0.387 4.163 1.00 75.15 H new ATOM 0 HG11 VAL A 89 5.711 -1.642 6.265 1.00 72.42 H new ATOM 0 HG12 VAL A 89 4.448 -0.399 6.429 1.00 72.42 H new ATOM 0 HG13 VAL A 89 3.994 -2.110 6.250 1.00 72.42 H new ATOM 0 HG21 VAL A 89 6.112 -2.745 4.084 1.00 2.31 H new ATOM 0 HG22 VAL A 89 4.414 -3.264 3.968 1.00 2.31 H new ATOM 0 HG23 VAL A 89 5.143 -2.305 2.658 1.00 2.31 H new ATOM 1378 N LEU A 90 1.786 0.426 5.503 1.00 73.13 N ATOM 1379 CA LEU A 90 1.329 1.526 6.361 1.00 50.12 C ATOM 1380 C LEU A 90 1.805 1.331 7.805 1.00 13.24 C ATOM 1381 O LEU A 90 1.611 0.267 8.398 1.00 55.21 O ATOM 1382 CB LEU A 90 -0.207 1.622 6.348 1.00 34.10 C ATOM 1383 CG LEU A 90 -0.819 2.555 7.418 1.00 31.54 C ATOM 1384 CD1 LEU A 90 -0.503 4.023 7.137 1.00 22.34 C ATOM 1385 CD2 LEU A 90 -2.326 2.338 7.540 1.00 31.23 C ATOM 0 H LEU A 90 1.221 -0.420 5.580 1.00 73.13 H new ATOM 0 HA LEU A 90 1.755 2.448 5.966 1.00 50.12 H new ATOM 0 HB2 LEU A 90 -0.525 1.967 5.364 1.00 34.10 H new ATOM 0 HB3 LEU A 90 -0.618 0.622 6.483 1.00 34.10 H new ATOM 0 HG LEU A 90 -0.359 2.297 8.372 1.00 31.54 H new ATOM 0 HD11 LEU A 90 -0.951 4.646 7.911 1.00 22.34 H new ATOM 0 HD12 LEU A 90 0.577 4.168 7.134 1.00 22.34 H new ATOM 0 HD13 LEU A 90 -0.910 4.303 6.165 1.00 22.34 H new ATOM 0 HD21 LEU A 90 -2.730 3.007 8.300 1.00 31.23 H new ATOM 0 HD22 LEU A 90 -2.802 2.547 6.582 1.00 31.23 H new ATOM 0 HD23 LEU A 90 -2.523 1.305 7.825 1.00 31.23 H new ATOM 1397 N VAL A 91 2.414 2.364 8.371 1.00 65.11 N ATOM 1398 CA VAL A 91 2.836 2.336 9.771 1.00 4.41 C ATOM 1399 C VAL A 91 2.093 3.407 10.583 1.00 1.42 C ATOM 1400 O VAL A 91 2.361 4.602 10.441 1.00 64.41 O ATOM 1401 CB VAL A 91 4.364 2.553 9.905 1.00 43.23 C ATOM 1402 CG1 VAL A 91 4.808 2.426 11.363 1.00 32.42 C ATOM 1403 CG2 VAL A 91 5.125 1.572 9.014 1.00 1.12 C ATOM 0 H VAL A 91 2.629 3.234 7.884 1.00 65.11 H new ATOM 0 HA VAL A 91 2.590 1.350 10.165 1.00 4.41 H new ATOM 0 HB VAL A 91 4.596 3.565 9.573 1.00 43.23 H new ATOM 0 HG11 VAL A 91 5.885 2.582 11.430 1.00 32.42 H new ATOM 0 HG12 VAL A 91 4.294 3.174 11.966 1.00 32.42 H new ATOM 0 HG13 VAL A 91 4.562 1.431 11.733 1.00 32.42 H new ATOM 0 HG21 VAL A 91 6.197 1.739 9.121 1.00 1.12 H new ATOM 0 HG22 VAL A 91 4.886 0.551 9.310 1.00 1.12 H new ATOM 0 HG23 VAL A 91 4.836 1.725 7.974 1.00 1.12 H new ATOM 1413 N LEU A 92 1.160 2.970 11.432 1.00 30.20 N ATOM 1414 CA LEU A 92 0.352 3.883 12.255 1.00 2.15 C ATOM 1415 C LEU A 92 1.238 4.843 13.068 1.00 50.11 C ATOM 1416 O LEU A 92 0.976 6.044 13.137 1.00 23.43 O ATOM 1417 CB LEU A 92 -0.550 3.067 13.195 1.00 41.23 C ATOM 1418 CG LEU A 92 -1.463 3.887 14.123 1.00 71.52 C ATOM 1419 CD1 LEU A 92 -2.469 4.702 13.313 1.00 31.35 C ATOM 1420 CD2 LEU A 92 -2.180 2.972 15.115 1.00 45.15 C ATOM 0 H LEU A 92 0.942 1.983 11.570 1.00 30.20 H new ATOM 0 HA LEU A 92 -0.265 4.488 11.590 1.00 2.15 H new ATOM 0 HB2 LEU A 92 -1.174 2.410 12.589 1.00 41.23 H new ATOM 0 HB3 LEU A 92 0.082 2.427 13.811 1.00 41.23 H new ATOM 0 HG LEU A 92 -0.841 4.583 14.686 1.00 71.52 H new ATOM 0 HD11 LEU A 92 -3.104 5.274 13.990 1.00 31.35 H new ATOM 0 HD12 LEU A 92 -1.936 5.385 12.652 1.00 31.35 H new ATOM 0 HD13 LEU A 92 -3.087 4.030 12.718 1.00 31.35 H new ATOM 0 HD21 LEU A 92 -2.821 3.569 15.763 1.00 45.15 H new ATOM 0 HD22 LEU A 92 -2.787 2.249 14.570 1.00 45.15 H new ATOM 0 HD23 LEU A 92 -1.444 2.444 15.720 1.00 45.15 H new ATOM 1432 N ASP A 93 2.290 4.296 13.668 1.00 44.53 N ATOM 1433 CA ASP A 93 3.269 5.082 14.430 1.00 33.22 C ATOM 1434 C ASP A 93 3.921 6.191 13.576 1.00 55.24 C ATOM 1435 O ASP A 93 4.246 7.267 14.077 1.00 71.20 O ATOM 1436 CB ASP A 93 4.340 4.134 14.979 1.00 54.24 C ATOM 1437 CG ASP A 93 5.453 4.851 15.716 1.00 34.25 C ATOM 1438 OD1 ASP A 93 5.257 5.212 16.894 1.00 62.40 O ATOM 1439 OD2 ASP A 93 6.531 5.044 15.120 1.00 42.32 O ATOM 0 H ASP A 93 2.493 3.297 13.643 1.00 44.53 H new ATOM 0 HA ASP A 93 2.748 5.581 15.247 1.00 33.22 H new ATOM 0 HB2 ASP A 93 3.870 3.417 15.653 1.00 54.24 H new ATOM 0 HB3 ASP A 93 4.768 3.564 14.155 1.00 54.24 H new ATOM 1444 N GLN A 94 4.106 5.924 12.285 1.00 72.11 N ATOM 1445 CA GLN A 94 4.721 6.897 11.370 1.00 14.52 C ATOM 1446 C GLN A 94 3.658 7.769 10.669 1.00 51.40 C ATOM 1447 O GLN A 94 3.992 8.767 10.025 1.00 54.20 O ATOM 1448 CB GLN A 94 5.562 6.167 10.309 1.00 23.23 C ATOM 1449 CG GLN A 94 6.731 5.350 10.859 1.00 63.21 C ATOM 1450 CD GLN A 94 7.813 6.203 11.500 1.00 5.21 C ATOM 1451 OE1 GLN A 94 8.720 6.677 10.825 1.00 1.03 O ATOM 1452 NE2 GLN A 94 7.748 6.378 12.804 1.00 23.54 N ATOM 0 H GLN A 94 3.841 5.043 11.844 1.00 72.11 H new ATOM 0 HA GLN A 94 5.360 7.549 11.965 1.00 14.52 H new ATOM 0 HB2 GLN A 94 4.909 5.503 9.744 1.00 23.23 H new ATOM 0 HB3 GLN A 94 5.952 6.904 9.607 1.00 23.23 H new ATOM 0 HG2 GLN A 94 6.354 4.640 11.595 1.00 63.21 H new ATOM 0 HG3 GLN A 94 7.170 4.767 10.050 1.00 63.21 H new ATOM 0 HE21 GLN A 94 6.979 5.970 13.336 1.00 23.54 H new ATOM 0 HE22 GLN A 94 8.466 6.922 13.282 1.00 23.54 H new ATOM 1461 N ARG A 95 2.386 7.369 10.787 1.00 60.21 N ATOM 1462 CA ARG A 95 1.263 8.053 10.117 1.00 4.14 C ATOM 1463 C ARG A 95 1.486 8.170 8.599 1.00 22.43 C ATOM 1464 O ARG A 95 0.978 9.087 7.954 1.00 0.44 O ATOM 1465 CB ARG A 95 1.030 9.451 10.714 1.00 73.41 C ATOM 1466 CG ARG A 95 0.769 9.454 12.216 1.00 43.50 C ATOM 1467 CD ARG A 95 0.232 10.802 12.691 1.00 12.42 C ATOM 1468 NE ARG A 95 1.112 11.913 12.325 1.00 52.14 N ATOM 1469 CZ ARG A 95 0.836 13.173 12.547 1.00 52.34 C ATOM 1470 NH1 ARG A 95 -0.280 13.520 13.102 1.00 64.24 N ATOM 1471 NH2 ARG A 95 1.673 14.090 12.190 1.00 33.43 N ATOM 0 H ARG A 95 2.102 6.565 11.347 1.00 60.21 H new ATOM 0 HA ARG A 95 0.377 7.441 10.286 1.00 4.14 H new ATOM 0 HB2 ARG A 95 1.902 10.072 10.507 1.00 73.41 H new ATOM 0 HB3 ARG A 95 0.182 9.913 10.208 1.00 73.41 H new ATOM 0 HG2 ARG A 95 0.054 8.669 12.463 1.00 43.50 H new ATOM 0 HG3 ARG A 95 1.692 9.222 12.747 1.00 43.50 H new ATOM 0 HD2 ARG A 95 -0.756 10.968 12.262 1.00 12.42 H new ATOM 0 HD3 ARG A 95 0.110 10.780 13.774 1.00 12.42 H new ATOM 0 HE ARG A 95 1.996 11.691 11.868 1.00 52.14 H new ATOM 0 HH11 ARG A 95 -0.958 12.808 13.373 1.00 64.24 H new ATOM 0 HH12 ARG A 95 -0.482 14.506 13.269 1.00 64.24 H new ATOM 0 HH21 ARG A 95 2.549 13.832 11.735 1.00 33.43 H new ATOM 0 HH22 ARG A 95 1.458 15.072 12.363 1.00 33.43 H new ATOM 1485 N ARG A 96 2.222 7.221 8.028 1.00 12.23 N ATOM 1486 CA ARG A 96 2.585 7.277 6.606 1.00 4.45 C ATOM 1487 C ARG A 96 2.744 5.876 6.000 1.00 42.35 C ATOM 1488 O ARG A 96 2.711 4.867 6.710 1.00 65.31 O ATOM 1489 CB ARG A 96 3.891 8.060 6.439 1.00 25.40 C ATOM 1490 CG ARG A 96 5.103 7.323 6.997 1.00 70.02 C ATOM 1491 CD ARG A 96 6.312 8.229 7.124 1.00 34.05 C ATOM 1492 NE ARG A 96 6.107 9.270 8.129 1.00 24.13 N ATOM 1493 CZ ARG A 96 6.981 10.194 8.414 1.00 0.31 C ATOM 1494 NH1 ARG A 96 8.107 10.258 7.779 1.00 31.54 N ATOM 1495 NH2 ARG A 96 6.725 11.061 9.337 1.00 52.00 N ATOM 0 H ARG A 96 2.580 6.404 8.522 1.00 12.23 H new ATOM 0 HA ARG A 96 1.776 7.779 6.076 1.00 4.45 H new ATOM 0 HB2 ARG A 96 4.053 8.265 5.381 1.00 25.40 H new ATOM 0 HB3 ARG A 96 3.797 9.024 6.939 1.00 25.40 H new ATOM 0 HG2 ARG A 96 4.857 6.909 7.975 1.00 70.02 H new ATOM 0 HG3 ARG A 96 5.347 6.483 6.347 1.00 70.02 H new ATOM 0 HD2 ARG A 96 7.186 7.634 7.390 1.00 34.05 H new ATOM 0 HD3 ARG A 96 6.523 8.691 6.160 1.00 34.05 H new ATOM 0 HE ARG A 96 5.224 9.274 8.640 1.00 24.13 H new ATOM 0 HH11 ARG A 96 8.319 9.581 7.046 1.00 31.54 H new ATOM 0 HH12 ARG A 96 8.783 10.986 8.011 1.00 31.54 H new ATOM 0 HH21 ARG A 96 5.840 11.022 9.842 1.00 52.00 H new ATOM 0 HH22 ARG A 96 7.408 11.784 9.561 1.00 52.00 H new ATOM 1509 N VAL A 97 2.941 5.831 4.683 1.00 34.20 N ATOM 1510 CA VAL A 97 3.110 4.569 3.954 1.00 22.22 C ATOM 1511 C VAL A 97 4.274 4.661 2.952 1.00 2.42 C ATOM 1512 O VAL A 97 4.840 5.733 2.743 1.00 70.13 O ATOM 1513 CB VAL A 97 1.825 4.194 3.166 1.00 51.31 C ATOM 1514 CG1 VAL A 97 0.591 4.238 4.051 1.00 33.44 C ATOM 1515 CG2 VAL A 97 1.643 5.101 1.954 1.00 32.33 C ATOM 0 H VAL A 97 2.988 6.661 4.092 1.00 34.20 H new ATOM 0 HA VAL A 97 3.320 3.803 4.701 1.00 22.22 H new ATOM 0 HB VAL A 97 1.949 3.169 2.817 1.00 51.31 H new ATOM 0 HG11 VAL A 97 -0.287 3.970 3.464 1.00 33.44 H new ATOM 0 HG12 VAL A 97 0.708 3.532 4.873 1.00 33.44 H new ATOM 0 HG13 VAL A 97 0.466 5.244 4.452 1.00 33.44 H new ATOM 0 HG21 VAL A 97 0.736 4.817 1.420 1.00 32.33 H new ATOM 0 HG22 VAL A 97 1.561 6.137 2.284 1.00 32.33 H new ATOM 0 HG23 VAL A 97 2.502 4.999 1.291 1.00 32.33 H new ATOM 1525 N ARG A 98 4.636 3.531 2.347 1.00 5.44 N ATOM 1526 CA ARG A 98 5.556 3.527 1.198 1.00 42.32 C ATOM 1527 C ARG A 98 5.204 2.416 0.198 1.00 61.22 C ATOM 1528 O ARG A 98 4.824 1.309 0.588 1.00 60.23 O ATOM 1529 CB ARG A 98 7.029 3.369 1.625 1.00 51.55 C ATOM 1530 CG ARG A 98 7.959 3.154 0.426 1.00 0.01 C ATOM 1531 CD ARG A 98 9.437 3.059 0.790 1.00 73.42 C ATOM 1532 NE ARG A 98 10.217 2.585 -0.355 1.00 41.33 N ATOM 1533 CZ ARG A 98 10.514 3.316 -1.401 1.00 11.23 C ATOM 1534 NH1 ARG A 98 10.248 4.583 -1.424 1.00 43.50 N ATOM 1535 NH2 ARG A 98 11.093 2.780 -2.426 1.00 1.43 N ATOM 0 H ARG A 98 4.310 2.606 2.628 1.00 5.44 H new ATOM 0 HA ARG A 98 5.437 4.499 0.718 1.00 42.32 H new ATOM 0 HB2 ARG A 98 7.344 4.257 2.172 1.00 51.55 H new ATOM 0 HB3 ARG A 98 7.119 2.525 2.308 1.00 51.55 H new ATOM 0 HG2 ARG A 98 7.664 2.240 -0.089 1.00 0.01 H new ATOM 0 HG3 ARG A 98 7.822 3.975 -0.278 1.00 0.01 H new ATOM 0 HD2 ARG A 98 9.803 4.035 1.108 1.00 73.42 H new ATOM 0 HD3 ARG A 98 9.567 2.380 1.633 1.00 73.42 H new ATOM 0 HE ARG A 98 10.551 1.622 -0.337 1.00 41.33 H new ATOM 0 HH11 ARG A 98 9.801 5.025 -0.621 1.00 43.50 H new ATOM 0 HH12 ARG A 98 10.485 5.139 -2.246 1.00 43.50 H new ATOM 0 HH21 ARG A 98 11.320 1.786 -2.422 1.00 1.43 H new ATOM 0 HH22 ARG A 98 11.323 3.352 -3.239 1.00 1.43 H new ATOM 1549 N PHE A 99 5.335 2.731 -1.094 1.00 4.21 N ATOM 1550 CA PHE A 99 5.197 1.741 -2.168 1.00 53.32 C ATOM 1551 C PHE A 99 6.585 1.252 -2.629 1.00 20.43 C ATOM 1552 O PHE A 99 7.439 2.059 -2.995 1.00 61.53 O ATOM 1553 CB PHE A 99 4.465 2.348 -3.375 1.00 50.44 C ATOM 1554 CG PHE A 99 3.071 2.858 -3.102 1.00 23.02 C ATOM 1555 CD1 PHE A 99 2.870 4.126 -2.573 1.00 61.02 C ATOM 1556 CD2 PHE A 99 1.961 2.079 -3.402 1.00 71.22 C ATOM 1557 CE1 PHE A 99 1.593 4.602 -2.347 1.00 24.11 C ATOM 1558 CE2 PHE A 99 0.683 2.555 -3.182 1.00 20.31 C ATOM 1559 CZ PHE A 99 0.498 3.816 -2.652 1.00 1.52 C ATOM 0 H PHE A 99 5.539 3.674 -1.425 1.00 4.21 H new ATOM 0 HA PHE A 99 4.621 0.903 -1.776 1.00 53.32 H new ATOM 0 HB2 PHE A 99 5.064 3.171 -3.764 1.00 50.44 H new ATOM 0 HB3 PHE A 99 4.410 1.594 -4.161 1.00 50.44 H new ATOM 0 HD1 PHE A 99 3.721 4.747 -2.336 1.00 61.02 H new ATOM 0 HD2 PHE A 99 2.099 1.089 -3.812 1.00 71.22 H new ATOM 0 HE1 PHE A 99 1.450 5.589 -1.932 1.00 24.11 H new ATOM 0 HE2 PHE A 99 -0.171 1.941 -3.425 1.00 20.31 H new ATOM 0 HZ PHE A 99 -0.501 4.188 -2.476 1.00 1.52 H new ATOM 1569 N GLU A 100 6.810 -0.059 -2.606 1.00 22.44 N ATOM 1570 CA GLU A 100 8.069 -0.638 -3.108 1.00 23.51 C ATOM 1571 C GLU A 100 7.837 -1.375 -4.438 1.00 5.40 C ATOM 1572 O GLU A 100 7.057 -2.328 -4.499 1.00 73.41 O ATOM 1573 CB GLU A 100 8.680 -1.607 -2.074 1.00 43.13 C ATOM 1574 CG GLU A 100 10.109 -1.257 -1.646 1.00 24.52 C ATOM 1575 CD GLU A 100 11.064 -1.039 -2.818 1.00 63.03 C ATOM 1576 OE1 GLU A 100 11.630 -2.029 -3.332 1.00 32.24 O ATOM 1577 OE2 GLU A 100 11.259 0.130 -3.222 1.00 14.52 O ATOM 0 H GLU A 100 6.145 -0.744 -2.248 1.00 22.44 H new ATOM 0 HA GLU A 100 8.768 0.182 -3.275 1.00 23.51 H new ATOM 0 HB2 GLU A 100 8.043 -1.625 -1.190 1.00 43.13 H new ATOM 0 HB3 GLU A 100 8.675 -2.614 -2.491 1.00 43.13 H new ATOM 0 HG2 GLU A 100 10.085 -0.355 -1.035 1.00 24.52 H new ATOM 0 HG3 GLU A 100 10.497 -2.058 -1.017 1.00 24.52 H new ATOM 1584 N THR A 101 8.507 -0.924 -5.499 1.00 41.31 N ATOM 1585 CA THR A 101 8.402 -1.569 -6.819 1.00 72.13 C ATOM 1586 C THR A 101 9.568 -2.521 -7.081 1.00 75.22 C ATOM 1587 O THR A 101 10.719 -2.216 -6.768 1.00 61.14 O ATOM 1588 CB THR A 101 8.376 -0.536 -7.973 1.00 51.54 C ATOM 1589 OG1 THR A 101 9.426 0.430 -7.799 1.00 21.53 O ATOM 1590 CG2 THR A 101 7.026 0.162 -8.062 1.00 72.33 C ATOM 0 H THR A 101 9.129 -0.116 -5.476 1.00 41.31 H new ATOM 0 HA THR A 101 7.463 -2.122 -6.796 1.00 72.13 H new ATOM 0 HB THR A 101 8.537 -1.073 -8.908 1.00 51.54 H new ATOM 0 HG1 THR A 101 9.401 1.077 -8.535 1.00 21.53 H new ATOM 0 HG21 THR A 101 7.041 0.880 -8.882 1.00 72.33 H new ATOM 0 HG22 THR A 101 6.245 -0.577 -8.242 1.00 72.33 H new ATOM 0 HG23 THR A 101 6.824 0.683 -7.126 1.00 72.33 H new ATOM 1598 N GLY A 102 9.265 -3.671 -7.671 1.00 54.11 N ATOM 1599 CA GLY A 102 10.315 -4.582 -8.100 1.00 54.32 C ATOM 1600 C GLY A 102 11.126 -4.023 -9.262 1.00 13.42 C ATOM 1601 O GLY A 102 12.211 -3.475 -9.071 1.00 23.31 O ATOM 0 H GLY A 102 8.315 -3.990 -7.861 1.00 54.11 H new ATOM 0 HA2 GLY A 102 10.980 -4.787 -7.261 1.00 54.32 H new ATOM 0 HA3 GLY A 102 9.870 -5.533 -8.394 1.00 54.32 H new ATOM 1605 N TYR A 103 10.589 -4.150 -10.470 1.00 43.11 N ATOM 1606 CA TYR A 103 11.286 -3.699 -11.678 1.00 61.02 C ATOM 1607 C TYR A 103 10.309 -3.386 -12.826 1.00 64.54 C ATOM 1608 O TYR A 103 10.440 -2.371 -13.509 1.00 50.44 O ATOM 1609 CB TYR A 103 12.299 -4.774 -12.107 1.00 0.11 C ATOM 1610 CG TYR A 103 12.678 -4.732 -13.571 1.00 63.44 C ATOM 1611 CD1 TYR A 103 13.612 -3.821 -14.052 1.00 74.32 C ATOM 1612 CD2 TYR A 103 12.092 -5.609 -14.474 1.00 22.10 C ATOM 1613 CE1 TYR A 103 13.950 -3.789 -15.393 1.00 53.33 C ATOM 1614 CE2 TYR A 103 12.423 -5.584 -15.812 1.00 73.42 C ATOM 1615 CZ TYR A 103 13.350 -4.673 -16.269 1.00 63.31 C ATOM 1616 OH TYR A 103 13.680 -4.646 -17.608 1.00 72.41 O ATOM 0 H TYR A 103 9.672 -4.562 -10.643 1.00 43.11 H new ATOM 0 HA TYR A 103 11.808 -2.771 -11.446 1.00 61.02 H new ATOM 0 HB2 TYR A 103 13.203 -4.663 -11.508 1.00 0.11 H new ATOM 0 HB3 TYR A 103 11.885 -5.756 -11.880 1.00 0.11 H new ATOM 0 HD1 TYR A 103 14.080 -3.128 -13.369 1.00 74.32 H new ATOM 0 HD2 TYR A 103 11.363 -6.324 -14.122 1.00 22.10 H new ATOM 0 HE1 TYR A 103 14.678 -3.077 -15.753 1.00 53.33 H new ATOM 0 HE2 TYR A 103 11.958 -6.275 -16.499 1.00 73.42 H new ATOM 0 HH TYR A 103 13.169 -5.333 -18.085 1.00 72.41 H new ATOM 1626 N GLY A 104 9.326 -4.258 -13.019 1.00 11.52 N ATOM 1627 CA GLY A 104 8.418 -4.147 -14.162 1.00 62.13 C ATOM 1628 C GLY A 104 7.598 -2.859 -14.169 1.00 14.43 C ATOM 1629 O GLY A 104 7.421 -2.224 -15.210 1.00 13.22 O ATOM 0 H GLY A 104 9.135 -5.048 -12.403 1.00 11.52 H new ATOM 0 HA2 GLY A 104 8.998 -4.203 -15.083 1.00 62.13 H new ATOM 0 HA3 GLY A 104 7.739 -5.000 -14.160 1.00 62.13 H new ATOM 1633 N LEU A 105 7.104 -2.468 -12.997 1.00 32.01 N ATOM 1634 CA LEU A 105 6.236 -1.292 -12.870 1.00 63.32 C ATOM 1635 C LEU A 105 6.982 0.038 -13.072 1.00 2.40 C ATOM 1636 O LEU A 105 6.362 1.096 -13.071 1.00 72.34 O ATOM 1637 CB LEU A 105 5.540 -1.303 -11.504 1.00 50.22 C ATOM 1638 CG LEU A 105 4.562 -2.471 -11.284 1.00 11.21 C ATOM 1639 CD1 LEU A 105 3.940 -2.402 -9.895 1.00 1.44 C ATOM 1640 CD2 LEU A 105 3.475 -2.483 -12.363 1.00 15.21 C ATOM 0 H LEU A 105 7.289 -2.948 -12.116 1.00 32.01 H new ATOM 0 HA LEU A 105 5.497 -1.358 -13.669 1.00 63.32 H new ATOM 0 HB2 LEU A 105 6.302 -1.334 -10.725 1.00 50.22 H new ATOM 0 HB3 LEU A 105 4.997 -0.366 -11.382 1.00 50.22 H new ATOM 0 HG LEU A 105 5.126 -3.401 -11.359 1.00 11.21 H new ATOM 0 HD11 LEU A 105 3.252 -3.237 -9.762 1.00 1.44 H new ATOM 0 HD12 LEU A 105 4.726 -2.455 -9.141 1.00 1.44 H new ATOM 0 HD13 LEU A 105 3.396 -1.464 -9.786 1.00 1.44 H new ATOM 0 HD21 LEU A 105 2.796 -3.317 -12.186 1.00 15.21 H new ATOM 0 HD22 LEU A 105 2.917 -1.547 -12.328 1.00 15.21 H new ATOM 0 HD23 LEU A 105 3.937 -2.593 -13.344 1.00 15.21 H new ATOM 1652 N GLU A 106 8.298 -0.007 -13.269 1.00 70.11 N ATOM 1653 CA GLU A 106 9.082 1.216 -13.518 1.00 54.52 C ATOM 1654 C GLU A 106 8.621 1.949 -14.795 1.00 23.34 C ATOM 1655 O GLU A 106 8.967 3.115 -15.012 1.00 4.31 O ATOM 1656 CB GLU A 106 10.580 0.881 -13.605 1.00 2.05 C ATOM 1657 CG GLU A 106 11.313 0.955 -12.267 1.00 53.05 C ATOM 1658 CD GLU A 106 11.526 2.390 -11.799 1.00 52.21 C ATOM 1659 OE1 GLU A 106 12.522 3.016 -12.226 1.00 35.20 O ATOM 1660 OE2 GLU A 106 10.706 2.901 -11.013 1.00 53.24 O ATOM 0 H GLU A 106 8.847 -0.867 -13.263 1.00 70.11 H new ATOM 0 HA GLU A 106 8.913 1.889 -12.677 1.00 54.52 H new ATOM 0 HB2 GLU A 106 10.694 -0.123 -14.015 1.00 2.05 H new ATOM 0 HB3 GLU A 106 11.055 1.567 -14.306 1.00 2.05 H new ATOM 0 HG2 GLU A 106 10.744 0.411 -11.513 1.00 53.05 H new ATOM 0 HG3 GLU A 106 12.279 0.458 -12.357 1.00 53.05 H new ATOM 1667 N GLY A 107 7.853 1.258 -15.637 1.00 20.21 N ATOM 1668 CA GLY A 107 7.301 1.878 -16.840 1.00 62.05 C ATOM 1669 C GLY A 107 5.933 2.529 -16.613 1.00 0.11 C ATOM 1670 O GLY A 107 5.334 3.067 -17.543 1.00 11.15 O ATOM 0 H GLY A 107 7.601 0.278 -15.510 1.00 20.21 H new ATOM 0 HA2 GLY A 107 7.999 2.632 -17.204 1.00 62.05 H new ATOM 0 HA3 GLY A 107 7.211 1.123 -17.621 1.00 62.05 H new ATOM 1674 N TYR A 108 5.436 2.475 -15.375 1.00 40.01 N ATOM 1675 CA TYR A 108 4.133 3.071 -15.021 1.00 42.53 C ATOM 1676 C TYR A 108 4.204 3.822 -13.686 1.00 42.10 C ATOM 1677 O TYR A 108 3.841 4.994 -13.591 1.00 12.14 O ATOM 1678 CB TYR A 108 3.049 1.986 -14.903 1.00 15.42 C ATOM 1679 CG TYR A 108 2.829 1.169 -16.162 1.00 74.02 C ATOM 1680 CD1 TYR A 108 2.250 1.738 -17.290 1.00 73.42 C ATOM 1681 CD2 TYR A 108 3.198 -0.173 -16.216 1.00 31.24 C ATOM 1682 CE1 TYR A 108 2.047 0.995 -18.436 1.00 34.33 C ATOM 1683 CE2 TYR A 108 2.998 -0.920 -17.361 1.00 64.12 C ATOM 1684 CZ TYR A 108 2.421 -0.332 -18.469 1.00 55.11 C ATOM 1685 OH TYR A 108 2.223 -1.068 -19.614 1.00 53.30 O ATOM 0 H TYR A 108 5.913 2.024 -14.594 1.00 40.01 H new ATOM 0 HA TYR A 108 3.880 3.769 -15.819 1.00 42.53 H new ATOM 0 HB2 TYR A 108 3.317 1.311 -14.090 1.00 15.42 H new ATOM 0 HB3 TYR A 108 2.108 2.461 -14.625 1.00 15.42 H new ATOM 0 HD1 TYR A 108 1.954 2.777 -17.270 1.00 73.42 H new ATOM 0 HD2 TYR A 108 3.647 -0.637 -15.350 1.00 31.24 H new ATOM 0 HE1 TYR A 108 1.596 1.452 -19.305 1.00 34.33 H new ATOM 0 HE2 TYR A 108 3.292 -1.959 -17.389 1.00 64.12 H new ATOM 0 HH TYR A 108 2.541 -1.984 -19.473 1.00 53.30 H new ATOM 1695 N LEU A 109 4.661 3.118 -12.655 1.00 54.02 N ATOM 1696 CA LEU A 109 4.688 3.632 -11.284 1.00 25.34 C ATOM 1697 C LEU A 109 6.127 3.736 -10.739 1.00 51.12 C ATOM 1698 O LEU A 109 6.628 2.799 -10.121 1.00 3.33 O ATOM 1699 CB LEU A 109 3.871 2.690 -10.389 1.00 35.40 C ATOM 1700 CG LEU A 109 2.417 2.452 -10.836 1.00 12.43 C ATOM 1701 CD1 LEU A 109 1.876 1.154 -10.246 1.00 73.44 C ATOM 1702 CD2 LEU A 109 1.529 3.629 -10.439 1.00 54.14 C ATOM 0 H LEU A 109 5.026 2.170 -12.744 1.00 54.02 H new ATOM 0 HA LEU A 109 4.261 4.635 -11.284 1.00 25.34 H new ATOM 0 HB2 LEU A 109 4.381 1.728 -10.342 1.00 35.40 H new ATOM 0 HB3 LEU A 109 3.861 3.095 -9.377 1.00 35.40 H new ATOM 0 HG LEU A 109 2.408 2.366 -11.923 1.00 12.43 H new ATOM 0 HD11 LEU A 109 0.847 1.006 -10.575 1.00 73.44 H new ATOM 0 HD12 LEU A 109 2.489 0.318 -10.583 1.00 73.44 H new ATOM 0 HD13 LEU A 109 1.905 1.209 -9.158 1.00 73.44 H new ATOM 0 HD21 LEU A 109 0.506 3.439 -10.765 1.00 54.14 H new ATOM 0 HD22 LEU A 109 1.548 3.750 -9.356 1.00 54.14 H new ATOM 0 HD23 LEU A 109 1.898 4.539 -10.913 1.00 54.14 H new ATOM 1714 N PRO A 110 6.826 4.861 -10.990 1.00 12.23 N ATOM 1715 CA PRO A 110 8.163 5.100 -10.423 1.00 71.34 C ATOM 1716 C PRO A 110 8.106 5.598 -8.967 1.00 42.51 C ATOM 1717 O PRO A 110 7.083 6.134 -8.524 1.00 31.32 O ATOM 1718 CB PRO A 110 8.729 6.182 -11.348 1.00 64.42 C ATOM 1719 CG PRO A 110 7.531 6.958 -11.784 1.00 33.41 C ATOM 1720 CD PRO A 110 6.395 5.969 -11.868 1.00 75.43 C ATOM 0 HA PRO A 110 8.765 4.193 -10.377 1.00 71.34 H new ATOM 0 HB2 PRO A 110 9.446 6.816 -10.826 1.00 64.42 H new ATOM 0 HB3 PRO A 110 9.251 5.745 -12.199 1.00 64.42 H new ATOM 0 HG2 PRO A 110 7.303 7.753 -11.074 1.00 33.41 H new ATOM 0 HG3 PRO A 110 7.705 7.433 -12.749 1.00 33.41 H new ATOM 0 HD2 PRO A 110 5.457 6.407 -11.527 1.00 75.43 H new ATOM 0 HD3 PRO A 110 6.235 5.629 -12.891 1.00 75.43 H new ATOM 1728 N ASP A 111 9.215 5.432 -8.234 1.00 60.05 N ATOM 1729 CA ASP A 111 9.303 5.843 -6.822 1.00 65.22 C ATOM 1730 C ASP A 111 8.726 7.259 -6.601 1.00 32.21 C ATOM 1731 O ASP A 111 8.031 7.515 -5.613 1.00 13.05 O ATOM 1732 CB ASP A 111 10.768 5.784 -6.359 1.00 23.23 C ATOM 1733 CG ASP A 111 10.936 6.058 -4.868 1.00 50.52 C ATOM 1734 OD1 ASP A 111 10.969 7.244 -4.477 1.00 15.11 O ATOM 1735 OD2 ASP A 111 11.047 5.090 -4.080 1.00 34.53 O ATOM 0 H ASP A 111 10.071 5.013 -8.597 1.00 60.05 H new ATOM 0 HA ASP A 111 8.704 5.152 -6.229 1.00 65.22 H new ATOM 0 HB2 ASP A 111 11.176 4.800 -6.590 1.00 23.23 H new ATOM 0 HB3 ASP A 111 11.351 6.511 -6.924 1.00 23.23 H new ATOM 1740 N GLY A 112 9.007 8.166 -7.538 1.00 14.44 N ATOM 1741 CA GLY A 112 8.485 9.527 -7.458 1.00 43.51 C ATOM 1742 C GLY A 112 6.960 9.589 -7.454 1.00 11.22 C ATOM 1743 O GLY A 112 6.361 10.240 -6.597 1.00 41.43 O ATOM 0 H GLY A 112 9.589 7.983 -8.355 1.00 14.44 H new ATOM 0 HA2 GLY A 112 8.863 10.001 -6.553 1.00 43.51 H new ATOM 0 HA3 GLY A 112 8.863 10.104 -8.302 1.00 43.51 H new ATOM 1747 N LEU A 113 6.329 8.904 -8.408 1.00 54.13 N ATOM 1748 CA LEU A 113 4.864 8.848 -8.482 1.00 71.14 C ATOM 1749 C LEU A 113 4.274 8.162 -7.242 1.00 22.14 C ATOM 1750 O LEU A 113 3.251 8.590 -6.706 1.00 70.11 O ATOM 1751 CB LEU A 113 4.419 8.112 -9.754 1.00 75.23 C ATOM 1752 CG LEU A 113 2.899 7.925 -9.916 1.00 33.14 C ATOM 1753 CD1 LEU A 113 2.176 9.270 -9.881 1.00 40.13 C ATOM 1754 CD2 LEU A 113 2.579 7.172 -11.208 1.00 3.13 C ATOM 0 H LEU A 113 6.807 8.380 -9.141 1.00 54.13 H new ATOM 0 HA LEU A 113 4.491 9.872 -8.516 1.00 71.14 H new ATOM 0 HB2 LEU A 113 4.794 8.659 -10.619 1.00 75.23 H new ATOM 0 HB3 LEU A 113 4.892 7.130 -9.768 1.00 75.23 H new ATOM 0 HG LEU A 113 2.542 7.328 -9.077 1.00 33.14 H new ATOM 0 HD11 LEU A 113 1.104 9.110 -9.997 1.00 40.13 H new ATOM 0 HD12 LEU A 113 2.368 9.762 -8.927 1.00 40.13 H new ATOM 0 HD13 LEU A 113 2.539 9.900 -10.693 1.00 40.13 H new ATOM 0 HD21 LEU A 113 1.500 7.052 -11.301 1.00 3.13 H new ATOM 0 HD22 LEU A 113 2.956 7.736 -12.061 1.00 3.13 H new ATOM 0 HD23 LEU A 113 3.053 6.191 -11.184 1.00 3.13 H new ATOM 1766 N LEU A 114 4.933 7.101 -6.794 1.00 51.33 N ATOM 1767 CA LEU A 114 4.520 6.376 -5.590 1.00 14.31 C ATOM 1768 C LEU A 114 4.479 7.308 -4.369 1.00 62.52 C ATOM 1769 O LEU A 114 3.497 7.337 -3.625 1.00 32.11 O ATOM 1770 CB LEU A 114 5.488 5.215 -5.334 1.00 52.32 C ATOM 1771 CG LEU A 114 5.597 4.188 -6.476 1.00 64.42 C ATOM 1772 CD1 LEU A 114 6.651 3.133 -6.156 1.00 71.20 C ATOM 1773 CD2 LEU A 114 4.241 3.540 -6.750 1.00 72.34 C ATOM 0 H LEU A 114 5.762 6.718 -7.247 1.00 51.33 H new ATOM 0 HA LEU A 114 3.515 5.986 -5.748 1.00 14.31 H new ATOM 0 HB2 LEU A 114 6.479 5.625 -5.140 1.00 52.32 H new ATOM 0 HB3 LEU A 114 5.175 4.695 -4.428 1.00 52.32 H new ATOM 0 HG LEU A 114 5.910 4.713 -7.379 1.00 64.42 H new ATOM 0 HD11 LEU A 114 6.711 2.418 -6.976 1.00 71.20 H new ATOM 0 HD12 LEU A 114 7.620 3.615 -6.023 1.00 71.20 H new ATOM 0 HD13 LEU A 114 6.377 2.611 -5.239 1.00 71.20 H new ATOM 0 HD21 LEU A 114 4.340 2.818 -7.560 1.00 72.34 H new ATOM 0 HD22 LEU A 114 3.892 3.031 -5.851 1.00 72.34 H new ATOM 0 HD23 LEU A 114 3.522 4.308 -7.034 1.00 72.34 H new ATOM 1785 N SER A 115 5.547 8.083 -4.181 1.00 22.53 N ATOM 1786 CA SER A 115 5.613 9.056 -3.079 1.00 13.40 C ATOM 1787 C SER A 115 4.631 10.210 -3.312 1.00 63.33 C ATOM 1788 O SER A 115 4.048 10.752 -2.368 1.00 5.43 O ATOM 1789 CB SER A 115 7.038 9.609 -2.921 1.00 11.13 C ATOM 1790 OG SER A 115 7.117 10.529 -1.839 1.00 63.23 O ATOM 0 H SER A 115 6.378 8.060 -4.772 1.00 22.53 H new ATOM 0 HA SER A 115 5.335 8.537 -2.162 1.00 13.40 H new ATOM 0 HB2 SER A 115 7.733 8.786 -2.754 1.00 11.13 H new ATOM 0 HB3 SER A 115 7.344 10.102 -3.844 1.00 11.13 H new ATOM 0 HG SER A 115 8.035 10.864 -1.761 1.00 63.23 H new ATOM 1796 N ARG A 116 4.449 10.579 -4.581 1.00 1.11 N ATOM 1797 CA ARG A 116 3.483 11.611 -4.962 1.00 2.54 C ATOM 1798 C ARG A 116 2.078 11.253 -4.469 1.00 30.34 C ATOM 1799 O ARG A 116 1.448 12.039 -3.774 1.00 10.52 O ATOM 1800 CB ARG A 116 3.475 11.806 -6.486 1.00 54.14 C ATOM 1801 CG ARG A 116 2.467 12.843 -6.974 1.00 34.02 C ATOM 1802 CD ARG A 116 2.498 13.005 -8.493 1.00 23.55 C ATOM 1803 NE ARG A 116 3.820 13.407 -8.980 1.00 21.33 N ATOM 1804 CZ ARG A 116 4.050 14.458 -9.726 1.00 60.41 C ATOM 1805 NH1 ARG A 116 3.085 15.244 -10.083 1.00 72.43 N ATOM 1806 NH2 ARG A 116 5.255 14.716 -10.110 1.00 54.54 N ATOM 0 H ARG A 116 4.961 10.176 -5.366 1.00 1.11 H new ATOM 0 HA ARG A 116 3.786 12.546 -4.490 1.00 2.54 H new ATOM 0 HB2 ARG A 116 4.472 12.104 -6.809 1.00 54.14 H new ATOM 0 HB3 ARG A 116 3.258 10.850 -6.963 1.00 54.14 H new ATOM 0 HG2 ARG A 116 1.465 12.549 -6.662 1.00 34.02 H new ATOM 0 HG3 ARG A 116 2.679 13.803 -6.503 1.00 34.02 H new ATOM 0 HD2 ARG A 116 2.210 12.065 -8.963 1.00 23.55 H new ATOM 0 HD3 ARG A 116 1.761 13.750 -8.792 1.00 23.55 H new ATOM 0 HE ARG A 116 4.618 12.827 -8.719 1.00 21.33 H new ATOM 0 HH11 ARG A 116 2.130 15.048 -9.783 1.00 72.43 H new ATOM 0 HH12 ARG A 116 3.280 16.059 -10.664 1.00 72.43 H new ATOM 0 HH21 ARG A 116 6.021 14.103 -9.832 1.00 54.54 H new ATOM 0 HH22 ARG A 116 5.441 15.533 -10.691 1.00 54.54 H new ATOM 1820 N ILE A 117 1.605 10.054 -4.820 1.00 20.42 N ATOM 1821 CA ILE A 117 0.282 9.573 -4.389 1.00 43.53 C ATOM 1822 C ILE A 117 0.100 9.709 -2.867 1.00 25.55 C ATOM 1823 O ILE A 117 -0.964 10.118 -2.386 1.00 44.45 O ATOM 1824 CB ILE A 117 0.067 8.093 -4.804 1.00 62.31 C ATOM 1825 CG1 ILE A 117 0.115 7.956 -6.337 1.00 41.01 C ATOM 1826 CG2 ILE A 117 -1.253 7.551 -4.250 1.00 40.42 C ATOM 1827 CD1 ILE A 117 0.004 6.527 -6.834 1.00 63.14 C ATOM 0 H ILE A 117 2.118 9.394 -5.404 1.00 20.42 H new ATOM 0 HA ILE A 117 -0.461 10.197 -4.886 1.00 43.53 H new ATOM 0 HB ILE A 117 0.874 7.498 -4.377 1.00 62.31 H new ATOM 0 HG12 ILE A 117 -0.695 8.544 -6.769 1.00 41.01 H new ATOM 0 HG13 ILE A 117 1.049 8.384 -6.700 1.00 41.01 H new ATOM 0 HG21 ILE A 117 -1.377 6.512 -4.557 1.00 40.42 H new ATOM 0 HG22 ILE A 117 -1.242 7.609 -3.162 1.00 40.42 H new ATOM 0 HG23 ILE A 117 -2.081 8.145 -4.637 1.00 40.42 H new ATOM 0 HD11 ILE A 117 0.046 6.516 -7.923 1.00 63.14 H new ATOM 0 HD12 ILE A 117 0.828 5.937 -6.433 1.00 63.14 H new ATOM 0 HD13 ILE A 117 -0.942 6.099 -6.503 1.00 63.14 H new ATOM 1839 N ILE A 118 1.151 9.375 -2.119 1.00 31.31 N ATOM 1840 CA ILE A 118 1.147 9.527 -0.662 1.00 64.42 C ATOM 1841 C ILE A 118 0.893 10.991 -0.264 1.00 14.34 C ATOM 1842 O ILE A 118 -0.037 11.296 0.482 1.00 24.41 O ATOM 1843 CB ILE A 118 2.493 9.059 -0.049 1.00 43.25 C ATOM 1844 CG1 ILE A 118 2.806 7.619 -0.487 1.00 43.11 C ATOM 1845 CG2 ILE A 118 2.466 9.170 1.480 1.00 4.11 C ATOM 1846 CD1 ILE A 118 4.158 7.113 -0.020 1.00 12.24 C ATOM 0 H ILE A 118 2.019 8.996 -2.498 1.00 31.31 H new ATOM 0 HA ILE A 118 0.342 8.903 -0.273 1.00 64.42 H new ATOM 0 HB ILE A 118 3.284 9.712 -0.417 1.00 43.25 H new ATOM 0 HG12 ILE A 118 2.029 6.957 -0.104 1.00 43.11 H new ATOM 0 HG13 ILE A 118 2.765 7.564 -1.575 1.00 43.11 H new ATOM 0 HG21 ILE A 118 3.421 8.836 1.886 1.00 4.11 H new ATOM 0 HG22 ILE A 118 2.293 10.207 1.766 1.00 4.11 H new ATOM 0 HG23 ILE A 118 1.665 8.546 1.876 1.00 4.11 H new ATOM 0 HD11 ILE A 118 4.304 6.091 -0.369 1.00 12.24 H new ATOM 0 HD12 ILE A 118 4.944 7.750 -0.424 1.00 12.24 H new ATOM 0 HD13 ILE A 118 4.198 7.134 1.069 1.00 12.24 H new ATOM 1858 N HIS A 119 1.711 11.897 -0.796 1.00 5.42 N ATOM 1859 CA HIS A 119 1.595 13.331 -0.491 1.00 50.43 C ATOM 1860 C HIS A 119 0.398 13.981 -1.215 1.00 5.40 C ATOM 1861 O HIS A 119 -0.021 15.089 -0.873 1.00 0.40 O ATOM 1862 CB HIS A 119 2.894 14.054 -0.875 1.00 10.23 C ATOM 1863 CG HIS A 119 4.078 13.668 -0.033 1.00 21.35 C ATOM 1864 ND1 HIS A 119 4.788 12.516 0.030 1.00 70.33 N flip ATOM 1865 CD2 HIS A 119 4.668 14.521 0.876 1.00 45.51 C flip ATOM 1866 CE1 HIS A 119 5.778 12.697 0.963 1.00 54.45 C flip ATOM 1867 NE2 HIS A 119 5.682 13.914 1.457 1.00 63.55 N flip ATOM 0 H HIS A 119 2.465 11.667 -1.443 1.00 5.42 H new ATOM 0 HA HIS A 119 1.423 13.427 0.581 1.00 50.43 H new ATOM 0 HB2 HIS A 119 3.120 13.844 -1.920 1.00 10.23 H new ATOM 0 HB3 HIS A 119 2.737 15.130 -0.793 1.00 10.23 H new ATOM 0 HD1 HIS A 119 4.618 11.671 -0.515 1.00 70.33 H new ATOM 0 HD2 HIS A 119 4.348 15.532 1.080 1.00 45.51 H new ATOM 0 HE1 HIS A 119 6.516 11.961 1.246 1.00 54.45 H new ATOM 1876 N ASP A 120 -0.144 13.283 -2.206 1.00 13.51 N ATOM 1877 CA ASP A 120 -1.241 13.803 -3.030 1.00 44.24 C ATOM 1878 C ASP A 120 -2.605 13.690 -2.323 1.00 72.11 C ATOM 1879 O ASP A 120 -3.332 14.679 -2.201 1.00 43.54 O ATOM 1880 CB ASP A 120 -1.274 13.053 -4.369 1.00 52.13 C ATOM 1881 CG ASP A 120 -2.319 13.598 -5.322 1.00 31.43 C ATOM 1882 OD1 ASP A 120 -2.083 14.672 -5.916 1.00 74.33 O ATOM 1883 OD2 ASP A 120 -3.381 12.963 -5.479 1.00 33.20 O ATOM 0 H ASP A 120 0.159 12.344 -2.464 1.00 13.51 H new ATOM 0 HA ASP A 120 -1.057 14.864 -3.202 1.00 44.24 H new ATOM 0 HB2 ASP A 120 -0.293 13.115 -4.839 1.00 52.13 H new ATOM 0 HB3 ASP A 120 -1.473 11.997 -4.184 1.00 52.13 H new ATOM 1888 N ARG A 121 -2.948 12.487 -1.855 1.00 73.20 N ATOM 1889 CA ARG A 121 -4.265 12.259 -1.236 1.00 43.23 C ATOM 1890 C ARG A 121 -4.186 11.471 0.089 1.00 63.33 C ATOM 1891 O ARG A 121 -5.077 11.581 0.928 1.00 71.33 O ATOM 1892 CB ARG A 121 -5.190 11.542 -2.233 1.00 53.43 C ATOM 1893 CG ARG A 121 -4.715 10.149 -2.632 1.00 5.40 C ATOM 1894 CD ARG A 121 -5.413 9.652 -3.894 1.00 3.42 C ATOM 1895 NE ARG A 121 -6.871 9.674 -3.783 1.00 24.34 N ATOM 1896 CZ ARG A 121 -7.676 9.802 -4.807 1.00 11.21 C ATOM 1897 NH1 ARG A 121 -7.205 10.007 -5.997 1.00 71.30 N ATOM 1898 NH2 ARG A 121 -8.954 9.750 -4.634 1.00 14.31 N ATOM 0 H ARG A 121 -2.346 11.665 -1.890 1.00 73.20 H new ATOM 0 HA ARG A 121 -4.674 13.238 -0.986 1.00 43.23 H new ATOM 0 HB2 ARG A 121 -6.186 11.463 -1.797 1.00 53.43 H new ATOM 0 HB3 ARG A 121 -5.283 12.153 -3.131 1.00 53.43 H new ATOM 0 HG2 ARG A 121 -3.637 10.165 -2.795 1.00 5.40 H new ATOM 0 HG3 ARG A 121 -4.903 9.453 -1.815 1.00 5.40 H new ATOM 0 HD2 ARG A 121 -5.108 10.270 -4.739 1.00 3.42 H new ATOM 0 HD3 ARG A 121 -5.085 8.635 -4.108 1.00 3.42 H new ATOM 0 HE ARG A 121 -7.284 9.584 -2.855 1.00 24.34 H new ATOM 0 HH11 ARG A 121 -6.197 10.070 -6.143 1.00 71.30 H new ATOM 0 HH12 ARG A 121 -7.842 10.105 -6.788 1.00 71.30 H new ATOM 0 HH21 ARG A 121 -9.337 9.609 -3.699 1.00 14.31 H new ATOM 0 HH22 ARG A 121 -9.581 9.850 -5.432 1.00 14.31 H new ATOM 1912 N MET A 122 -3.122 10.691 0.290 1.00 4.03 N ATOM 1913 CA MET A 122 -2.979 9.903 1.526 1.00 60.24 C ATOM 1914 C MET A 122 -2.766 10.788 2.768 1.00 30.54 C ATOM 1915 O MET A 122 -3.499 10.669 3.751 1.00 71.45 O ATOM 1916 CB MET A 122 -1.825 8.901 1.403 1.00 74.32 C ATOM 1917 CG MET A 122 -2.174 7.640 0.628 1.00 71.42 C ATOM 1918 SD MET A 122 -0.783 6.497 0.550 1.00 34.25 S ATOM 1919 CE MET A 122 -1.597 4.977 0.071 1.00 42.00 C ATOM 0 H MET A 122 -2.355 10.585 -0.374 1.00 4.03 H new ATOM 0 HA MET A 122 -3.917 9.364 1.659 1.00 60.24 H new ATOM 0 HB2 MET A 122 -0.983 9.392 0.916 1.00 74.32 H new ATOM 0 HB3 MET A 122 -1.495 8.620 2.403 1.00 74.32 H new ATOM 0 HG2 MET A 122 -3.024 7.147 1.100 1.00 71.42 H new ATOM 0 HG3 MET A 122 -2.482 7.908 -0.383 1.00 71.42 H new ATOM 0 HE1 MET A 122 -1.184 4.147 0.644 1.00 42.00 H new ATOM 0 HE2 MET A 122 -2.666 5.058 0.269 1.00 42.00 H new ATOM 0 HE3 MET A 122 -1.438 4.799 -0.992 1.00 42.00 H new ATOM 1929 N ILE A 123 -1.766 11.675 2.714 1.00 74.45 N ATOM 1930 CA ILE A 123 -1.409 12.525 3.867 1.00 62.20 C ATOM 1931 C ILE A 123 -2.625 13.276 4.459 1.00 21.45 C ATOM 1932 O ILE A 123 -2.876 13.176 5.664 1.00 54.04 O ATOM 1933 CB ILE A 123 -0.285 13.540 3.510 1.00 50.23 C ATOM 1934 CG1 ILE A 123 0.996 12.803 3.080 1.00 22.03 C ATOM 1935 CG2 ILE A 123 0.005 14.477 4.685 1.00 33.42 C ATOM 1936 CD1 ILE A 123 1.589 11.902 4.147 1.00 45.14 C ATOM 0 H ILE A 123 -1.187 11.827 1.888 1.00 74.45 H new ATOM 0 HA ILE A 123 -1.037 11.842 4.630 1.00 62.20 H new ATOM 0 HB ILE A 123 -0.634 14.145 2.673 1.00 50.23 H new ATOM 0 HG12 ILE A 123 0.776 12.204 2.196 1.00 22.03 H new ATOM 0 HG13 ILE A 123 1.744 13.540 2.787 1.00 22.03 H new ATOM 0 HG21 ILE A 123 0.794 15.175 4.407 1.00 33.42 H new ATOM 0 HG22 ILE A 123 -0.898 15.032 4.939 1.00 33.42 H new ATOM 0 HG23 ILE A 123 0.325 13.892 5.547 1.00 33.42 H new ATOM 0 HD11 ILE A 123 2.488 11.422 3.760 1.00 45.14 H new ATOM 0 HD12 ILE A 123 1.844 12.496 5.024 1.00 45.14 H new ATOM 0 HD13 ILE A 123 0.862 11.139 4.424 1.00 45.14 H new ATOM 1948 N PRO A 124 -3.405 14.037 3.647 1.00 74.32 N ATOM 1949 CA PRO A 124 -4.599 14.743 4.148 1.00 53.30 C ATOM 1950 C PRO A 124 -5.578 13.805 4.883 1.00 52.32 C ATOM 1951 O PRO A 124 -6.121 14.155 5.934 1.00 45.15 O ATOM 1952 CB PRO A 124 -5.246 15.334 2.879 1.00 61.31 C ATOM 1953 CG PRO A 124 -4.575 14.651 1.732 1.00 40.33 C ATOM 1954 CD PRO A 124 -3.197 14.290 2.210 1.00 21.23 C ATOM 0 HA PRO A 124 -4.336 15.500 4.886 1.00 53.30 H new ATOM 0 HB2 PRO A 124 -6.321 15.155 2.867 1.00 61.31 H new ATOM 0 HB3 PRO A 124 -5.102 16.413 2.832 1.00 61.31 H new ATOM 0 HG2 PRO A 124 -5.128 13.762 1.430 1.00 40.33 H new ATOM 0 HG3 PRO A 124 -4.527 15.306 0.862 1.00 40.33 H new ATOM 0 HD2 PRO A 124 -2.808 13.410 1.697 1.00 21.23 H new ATOM 0 HD3 PRO A 124 -2.486 15.098 2.041 1.00 21.23 H new ATOM 1962 N HIS A 125 -5.794 12.607 4.333 1.00 53.02 N ATOM 1963 CA HIS A 125 -6.653 11.605 4.980 1.00 31.45 C ATOM 1964 C HIS A 125 -6.062 11.138 6.323 1.00 42.11 C ATOM 1965 O HIS A 125 -6.752 11.151 7.341 1.00 64.42 O ATOM 1966 CB HIS A 125 -6.887 10.399 4.059 1.00 75.53 C ATOM 1967 CG HIS A 125 -7.912 10.638 2.989 1.00 42.32 C ATOM 1968 ND1 HIS A 125 -9.217 10.935 3.301 1.00 73.33 N ATOM 1969 CD2 HIS A 125 -7.780 10.591 1.643 1.00 3.02 C ATOM 1970 CE1 HIS A 125 -9.846 11.059 2.145 1.00 33.45 C ATOM 1971 NE2 HIS A 125 -9.017 10.860 1.110 1.00 34.35 N ATOM 0 H HIS A 125 -5.390 12.306 3.446 1.00 53.02 H new ATOM 0 HA HIS A 125 -7.612 12.084 5.177 1.00 31.45 H new ATOM 0 HB2 HIS A 125 -5.943 10.125 3.589 1.00 75.53 H new ATOM 0 HB3 HIS A 125 -7.200 9.548 4.664 1.00 75.53 H new ATOM 0 HD2 HIS A 125 -6.875 10.382 1.093 1.00 3.02 H new ATOM 0 HE1 HIS A 125 -10.896 11.291 2.046 1.00 33.45 H new ATOM 0 HE2 HIS A 125 -9.258 10.901 0.120 1.00 34.35 H new ATOM 1979 N PHE A 126 -4.787 10.744 6.327 1.00 72.51 N ATOM 1980 CA PHE A 126 -4.120 10.288 7.560 1.00 73.11 C ATOM 1981 C PHE A 126 -4.189 11.355 8.663 1.00 63.31 C ATOM 1982 O PHE A 126 -4.504 11.053 9.816 1.00 70.23 O ATOM 1983 CB PHE A 126 -2.653 9.919 7.281 1.00 0.31 C ATOM 1984 CG PHE A 126 -2.470 8.741 6.349 1.00 15.13 C ATOM 1985 CD1 PHE A 126 -3.400 7.709 6.311 1.00 13.42 C ATOM 1986 CD2 PHE A 126 -1.363 8.667 5.514 1.00 63.33 C ATOM 1987 CE1 PHE A 126 -3.227 6.633 5.461 1.00 73.54 C ATOM 1988 CE2 PHE A 126 -1.185 7.591 4.664 1.00 73.21 C ATOM 1989 CZ PHE A 126 -2.119 6.572 4.637 1.00 42.51 C ATOM 0 H PHE A 126 -4.194 10.729 5.498 1.00 72.51 H new ATOM 0 HA PHE A 126 -4.650 9.401 7.908 1.00 73.11 H new ATOM 0 HB2 PHE A 126 -2.148 10.786 6.854 1.00 0.31 H new ATOM 0 HB3 PHE A 126 -2.161 9.697 8.228 1.00 0.31 H new ATOM 0 HD1 PHE A 126 -4.268 7.748 6.953 1.00 13.42 H new ATOM 0 HD2 PHE A 126 -0.631 9.461 5.529 1.00 63.33 H new ATOM 0 HE1 PHE A 126 -3.959 5.839 5.441 1.00 73.54 H new ATOM 0 HE2 PHE A 126 -0.318 7.547 4.022 1.00 73.21 H new ATOM 0 HZ PHE A 126 -1.983 5.731 3.974 1.00 42.51 H new ATOM 1999 N ARG A 127 -3.908 12.605 8.299 1.00 54.51 N ATOM 2000 CA ARG A 127 -4.004 13.727 9.242 1.00 12.23 C ATOM 2001 C ARG A 127 -5.448 13.906 9.740 1.00 63.42 C ATOM 2002 O ARG A 127 -5.680 14.274 10.893 1.00 3.44 O ATOM 2003 CB ARG A 127 -3.515 15.026 8.588 1.00 34.45 C ATOM 2004 CG ARG A 127 -2.076 14.967 8.083 1.00 21.40 C ATOM 2005 CD ARG A 127 -1.644 16.294 7.471 1.00 73.02 C ATOM 2006 NE ARG A 127 -1.565 17.359 8.470 1.00 65.40 N ATOM 2007 CZ ARG A 127 -1.975 18.582 8.282 1.00 53.54 C ATOM 2008 NH1 ARG A 127 -2.572 18.922 7.184 1.00 75.12 N ATOM 2009 NH2 ARG A 127 -1.796 19.459 9.212 1.00 54.24 N ATOM 0 H ARG A 127 -3.612 12.870 7.360 1.00 54.51 H new ATOM 0 HA ARG A 127 -3.367 13.498 10.097 1.00 12.23 H new ATOM 0 HB2 ARG A 127 -4.172 15.269 7.753 1.00 34.45 H new ATOM 0 HB3 ARG A 127 -3.602 15.838 9.309 1.00 34.45 H new ATOM 0 HG2 ARG A 127 -1.410 14.711 8.907 1.00 21.40 H new ATOM 0 HG3 ARG A 127 -1.982 14.175 7.340 1.00 21.40 H new ATOM 0 HD2 ARG A 127 -0.672 16.173 6.993 1.00 73.02 H new ATOM 0 HD3 ARG A 127 -2.350 16.580 6.691 1.00 73.02 H new ATOM 0 HE ARG A 127 -1.161 17.129 9.378 1.00 65.40 H new ATOM 0 HH11 ARG A 127 -2.727 18.229 6.452 1.00 75.12 H new ATOM 0 HH12 ARG A 127 -2.887 19.883 7.051 1.00 75.12 H new ATOM 0 HH21 ARG A 127 -1.338 19.192 10.083 1.00 54.24 H new ATOM 0 HH22 ARG A 127 -2.113 20.419 9.076 1.00 54.24 H new ATOM 2023 N SER A 128 -6.410 13.640 8.857 1.00 25.13 N ATOM 2024 CA SER A 128 -7.841 13.715 9.198 1.00 23.30 C ATOM 2025 C SER A 128 -8.323 12.450 9.929 1.00 31.34 C ATOM 2026 O SER A 128 -9.478 12.372 10.354 1.00 52.53 O ATOM 2027 CB SER A 128 -8.682 13.928 7.928 1.00 62.31 C ATOM 2028 OG SER A 128 -8.399 15.184 7.325 1.00 52.32 O ATOM 0 H SER A 128 -6.228 13.368 7.891 1.00 25.13 H new ATOM 0 HA SER A 128 -7.970 14.563 9.870 1.00 23.30 H new ATOM 0 HB2 SER A 128 -8.480 13.127 7.217 1.00 62.31 H new ATOM 0 HB3 SER A 128 -9.742 13.873 8.178 1.00 62.31 H new ATOM 0 HG SER A 128 -7.615 15.099 6.744 1.00 52.32 H new ATOM 2034 N GLY A 129 -7.438 11.459 10.064 1.00 4.31 N ATOM 2035 CA GLY A 129 -7.778 10.220 10.764 1.00 34.11 C ATOM 2036 C GLY A 129 -8.186 9.082 9.830 1.00 30.44 C ATOM 2037 O GLY A 129 -8.344 7.941 10.261 1.00 33.11 O ATOM 0 H GLY A 129 -6.486 11.491 9.700 1.00 4.31 H new ATOM 0 HA2 GLY A 129 -6.922 9.902 11.358 1.00 34.11 H new ATOM 0 HA3 GLY A 129 -8.593 10.418 11.460 1.00 34.11 H new ATOM 2041 N ASN A 130 -8.352 9.386 8.549 1.00 44.25 N ATOM 2042 CA ASN A 130 -8.776 8.385 7.564 1.00 51.41 C ATOM 2043 C ASN A 130 -7.612 7.474 7.123 1.00 11.21 C ATOM 2044 O ASN A 130 -7.106 7.592 6.006 1.00 1.21 O ATOM 2045 CB ASN A 130 -9.386 9.072 6.338 1.00 14.45 C ATOM 2046 CG ASN A 130 -10.627 9.880 6.664 1.00 62.23 C ATOM 2047 OD1 ASN A 130 -10.783 10.398 7.765 1.00 41.34 O ATOM 2048 ND2 ASN A 130 -11.515 10.009 5.702 1.00 11.22 N ATOM 0 H ASN A 130 -8.201 10.318 8.162 1.00 44.25 H new ATOM 0 HA ASN A 130 -9.526 7.757 8.046 1.00 51.41 H new ATOM 0 HB2 ASN A 130 -8.641 9.728 5.888 1.00 14.45 H new ATOM 0 HB3 ASN A 130 -9.637 8.317 5.593 1.00 14.45 H new ATOM 0 HD21 ASN A 130 -12.363 10.553 5.861 1.00 11.22 H new ATOM 0 HD22 ASN A 130 -11.355 9.565 4.798 1.00 11.22 H new ATOM 2055 N TYR A 131 -7.183 6.576 8.010 1.00 65.01 N ATOM 2056 CA TYR A 131 -6.130 5.605 7.683 1.00 40.52 C ATOM 2057 C TYR A 131 -6.645 4.535 6.707 1.00 62.43 C ATOM 2058 O TYR A 131 -6.081 4.334 5.629 1.00 2.54 O ATOM 2059 CB TYR A 131 -5.594 4.937 8.954 1.00 11.21 C ATOM 2060 CG TYR A 131 -4.946 5.901 9.930 1.00 45.05 C ATOM 2061 CD1 TYR A 131 -3.599 6.234 9.825 1.00 52.22 C ATOM 2062 CD2 TYR A 131 -5.681 6.470 10.963 1.00 55.23 C ATOM 2063 CE1 TYR A 131 -3.007 7.106 10.719 1.00 20.40 C ATOM 2064 CE2 TYR A 131 -5.098 7.342 11.858 1.00 51.32 C ATOM 2065 CZ TYR A 131 -3.762 7.657 11.733 1.00 41.52 C ATOM 2066 OH TYR A 131 -3.177 8.520 12.634 1.00 13.21 O ATOM 0 H TYR A 131 -7.546 6.498 8.960 1.00 65.01 H new ATOM 0 HA TYR A 131 -5.318 6.150 7.201 1.00 40.52 H new ATOM 0 HB2 TYR A 131 -6.414 4.424 9.456 1.00 11.21 H new ATOM 0 HB3 TYR A 131 -4.866 4.176 8.673 1.00 11.21 H new ATOM 0 HD1 TYR A 131 -3.006 5.804 9.031 1.00 52.22 H new ATOM 0 HD2 TYR A 131 -6.728 6.225 11.067 1.00 55.23 H new ATOM 0 HE1 TYR A 131 -1.960 7.354 10.624 1.00 20.40 H new ATOM 0 HE2 TYR A 131 -5.686 7.776 12.653 1.00 51.32 H new ATOM 0 HH TYR A 131 -3.847 8.819 13.283 1.00 13.21 H new ATOM 2076 N ALA A 132 -7.723 3.854 7.096 1.00 72.14 N ATOM 2077 CA ALA A 132 -8.334 2.815 6.261 1.00 71.32 C ATOM 2078 C ALA A 132 -8.794 3.379 4.909 1.00 0.33 C ATOM 2079 O ALA A 132 -8.635 2.740 3.865 1.00 42.11 O ATOM 2080 CB ALA A 132 -9.503 2.169 6.996 1.00 20.31 C ATOM 0 H ALA A 132 -8.194 4.003 7.988 1.00 72.14 H new ATOM 0 HA ALA A 132 -7.578 2.056 6.062 1.00 71.32 H new ATOM 0 HB1 ALA A 132 -9.948 1.399 6.366 1.00 20.31 H new ATOM 0 HB2 ALA A 132 -9.146 1.718 7.922 1.00 20.31 H new ATOM 0 HB3 ALA A 132 -10.252 2.927 7.226 1.00 20.31 H new ATOM 2086 N GLU A 133 -9.372 4.577 4.939 1.00 50.54 N ATOM 2087 CA GLU A 133 -9.785 5.265 3.716 1.00 1.21 C ATOM 2088 C GLU A 133 -8.560 5.700 2.895 1.00 42.43 C ATOM 2089 O GLU A 133 -8.504 5.477 1.688 1.00 63.10 O ATOM 2090 CB GLU A 133 -10.651 6.487 4.059 1.00 2.04 C ATOM 2091 CG GLU A 133 -11.310 7.143 2.849 1.00 51.12 C ATOM 2092 CD GLU A 133 -12.296 6.218 2.146 1.00 0.32 C ATOM 2093 OE1 GLU A 133 -13.482 6.190 2.546 1.00 14.25 O ATOM 2094 OE2 GLU A 133 -11.894 5.519 1.196 1.00 0.14 O ATOM 0 H GLU A 133 -9.566 5.093 5.797 1.00 50.54 H new ATOM 0 HA GLU A 133 -10.374 4.571 3.116 1.00 1.21 H new ATOM 0 HB2 GLU A 133 -11.427 6.183 4.762 1.00 2.04 H new ATOM 0 HB3 GLU A 133 -10.032 7.226 4.568 1.00 2.04 H new ATOM 0 HG2 GLU A 133 -11.829 8.047 3.168 1.00 51.12 H new ATOM 0 HG3 GLU A 133 -10.539 7.451 2.142 1.00 51.12 H new ATOM 2101 N GLY A 134 -7.572 6.300 3.567 1.00 25.53 N ATOM 2102 CA GLY A 134 -6.348 6.741 2.898 1.00 10.34 C ATOM 2103 C GLY A 134 -5.662 5.633 2.105 1.00 52.15 C ATOM 2104 O GLY A 134 -5.186 5.859 0.988 1.00 22.22 O ATOM 0 H GLY A 134 -7.597 6.490 4.569 1.00 25.53 H new ATOM 0 HA2 GLY A 134 -6.586 7.565 2.226 1.00 10.34 H new ATOM 0 HA3 GLY A 134 -5.654 7.128 3.644 1.00 10.34 H new ATOM 2108 N LEU A 135 -5.608 4.431 2.679 1.00 43.04 N ATOM 2109 CA LEU A 135 -5.063 3.264 1.977 1.00 75.24 C ATOM 2110 C LEU A 135 -5.865 2.958 0.704 1.00 24.22 C ATOM 2111 O LEU A 135 -5.296 2.771 -0.372 1.00 40.14 O ATOM 2112 CB LEU A 135 -5.062 2.035 2.895 1.00 3.53 C ATOM 2113 CG LEU A 135 -4.127 2.120 4.110 1.00 33.33 C ATOM 2114 CD1 LEU A 135 -4.218 0.848 4.943 1.00 41.42 C ATOM 2115 CD2 LEU A 135 -2.688 2.380 3.668 1.00 64.01 C ATOM 0 H LEU A 135 -5.934 4.238 3.626 1.00 43.04 H new ATOM 0 HA LEU A 135 -4.037 3.499 1.692 1.00 75.24 H new ATOM 0 HB2 LEU A 135 -6.079 1.868 3.251 1.00 3.53 H new ATOM 0 HB3 LEU A 135 -4.784 1.162 2.305 1.00 3.53 H new ATOM 0 HG LEU A 135 -4.445 2.958 4.731 1.00 33.33 H new ATOM 0 HD11 LEU A 135 -3.549 0.926 5.800 1.00 41.42 H new ATOM 0 HD12 LEU A 135 -5.242 0.715 5.293 1.00 41.42 H new ATOM 0 HD13 LEU A 135 -3.929 -0.008 4.333 1.00 41.42 H new ATOM 0 HD21 LEU A 135 -2.043 2.437 4.545 1.00 64.01 H new ATOM 0 HD22 LEU A 135 -2.353 1.568 3.023 1.00 64.01 H new ATOM 0 HD23 LEU A 135 -2.640 3.321 3.121 1.00 64.01 H new ATOM 2127 N SER A 136 -7.191 2.913 0.837 1.00 51.55 N ATOM 2128 CA SER A 136 -8.076 2.660 -0.309 1.00 13.10 C ATOM 2129 C SER A 136 -7.909 3.744 -1.380 1.00 74.50 C ATOM 2130 O SER A 136 -7.925 3.454 -2.577 1.00 61.05 O ATOM 2131 CB SER A 136 -9.541 2.596 0.140 1.00 43.25 C ATOM 2132 OG SER A 136 -10.403 2.296 -0.950 1.00 74.04 O ATOM 0 H SER A 136 -7.678 3.048 1.723 1.00 51.55 H new ATOM 0 HA SER A 136 -7.796 1.698 -0.738 1.00 13.10 H new ATOM 0 HB2 SER A 136 -9.653 1.837 0.915 1.00 43.25 H new ATOM 0 HB3 SER A 136 -9.830 3.549 0.583 1.00 43.25 H new ATOM 0 HG SER A 136 -11.330 2.260 -0.634 1.00 74.04 H new ATOM 2138 N GLU A 137 -7.745 4.990 -0.935 1.00 60.44 N ATOM 2139 CA GLU A 137 -7.467 6.122 -1.826 1.00 50.11 C ATOM 2140 C GLU A 137 -6.184 5.897 -2.638 1.00 43.24 C ATOM 2141 O GLU A 137 -6.178 6.041 -3.859 1.00 32.43 O ATOM 2142 CB GLU A 137 -7.344 7.414 -1.005 1.00 32.24 C ATOM 2143 CG GLU A 137 -8.672 7.949 -0.487 1.00 32.30 C ATOM 2144 CD GLU A 137 -9.511 8.576 -1.588 1.00 32.42 C ATOM 2145 OE1 GLU A 137 -9.316 9.778 -1.872 1.00 32.42 O ATOM 2146 OE2 GLU A 137 -10.344 7.871 -2.188 1.00 23.13 O ATOM 0 H GLU A 137 -7.801 5.245 0.051 1.00 60.44 H new ATOM 0 HA GLU A 137 -8.297 6.210 -2.527 1.00 50.11 H new ATOM 0 HB2 GLU A 137 -6.682 7.232 -0.158 1.00 32.24 H new ATOM 0 HB3 GLU A 137 -6.871 8.179 -1.620 1.00 32.24 H new ATOM 0 HG2 GLU A 137 -9.233 7.137 -0.024 1.00 32.30 H new ATOM 0 HG3 GLU A 137 -8.484 8.690 0.290 1.00 32.30 H new ATOM 2153 N GLY A 138 -5.093 5.557 -1.950 1.00 55.14 N ATOM 2154 CA GLY A 138 -3.840 5.253 -2.634 1.00 75.34 C ATOM 2155 C GLY A 138 -3.980 4.098 -3.619 1.00 12.15 C ATOM 2156 O GLY A 138 -3.547 4.191 -4.768 1.00 41.53 O ATOM 0 H GLY A 138 -5.053 5.486 -0.933 1.00 55.14 H new ATOM 0 HA2 GLY A 138 -3.495 6.140 -3.165 1.00 75.34 H new ATOM 0 HA3 GLY A 138 -3.077 5.007 -1.896 1.00 75.34 H new ATOM 2160 N VAL A 139 -4.597 3.010 -3.160 1.00 50.32 N ATOM 2161 CA VAL A 139 -4.909 1.865 -4.023 1.00 13.42 C ATOM 2162 C VAL A 139 -5.753 2.294 -5.232 1.00 70.32 C ATOM 2163 O VAL A 139 -5.548 1.819 -6.347 1.00 74.11 O ATOM 2164 CB VAL A 139 -5.674 0.770 -3.232 1.00 54.40 C ATOM 2165 CG1 VAL A 139 -6.165 -0.349 -4.155 1.00 65.23 C ATOM 2166 CG2 VAL A 139 -4.802 0.203 -2.111 1.00 64.21 C ATOM 0 H VAL A 139 -4.893 2.895 -2.191 1.00 50.32 H new ATOM 0 HA VAL A 139 -3.961 1.460 -4.378 1.00 13.42 H new ATOM 0 HB VAL A 139 -6.551 1.238 -2.784 1.00 54.40 H new ATOM 0 HG11 VAL A 139 -6.696 -1.098 -3.568 1.00 65.23 H new ATOM 0 HG12 VAL A 139 -6.837 0.067 -4.906 1.00 65.23 H new ATOM 0 HG13 VAL A 139 -5.312 -0.813 -4.649 1.00 65.23 H new ATOM 0 HG21 VAL A 139 -5.358 -0.563 -1.570 1.00 64.21 H new ATOM 0 HG22 VAL A 139 -3.901 -0.237 -2.538 1.00 64.21 H new ATOM 0 HG23 VAL A 139 -4.525 1.004 -1.425 1.00 64.21 H new ATOM 2176 N LEU A 140 -6.702 3.201 -5.000 1.00 35.33 N ATOM 2177 CA LEU A 140 -7.579 3.701 -6.067 1.00 72.02 C ATOM 2178 C LEU A 140 -6.799 4.600 -7.031 1.00 45.22 C ATOM 2179 O LEU A 140 -7.062 4.612 -8.229 1.00 31.34 O ATOM 2180 CB LEU A 140 -8.776 4.462 -5.469 1.00 44.30 C ATOM 2181 CG LEU A 140 -9.863 4.892 -6.471 1.00 13.12 C ATOM 2182 CD1 LEU A 140 -10.374 3.694 -7.271 1.00 33.10 C ATOM 2183 CD2 LEU A 140 -11.018 5.579 -5.745 1.00 35.42 C ATOM 0 H LEU A 140 -6.886 3.607 -4.082 1.00 35.33 H new ATOM 0 HA LEU A 140 -7.958 2.846 -6.627 1.00 72.02 H new ATOM 0 HB2 LEU A 140 -9.238 3.834 -4.707 1.00 44.30 H new ATOM 0 HB3 LEU A 140 -8.401 5.352 -4.964 1.00 44.30 H new ATOM 0 HG LEU A 140 -9.418 5.602 -7.168 1.00 13.12 H new ATOM 0 HD11 LEU A 140 -11.141 4.025 -7.971 1.00 33.10 H new ATOM 0 HD12 LEU A 140 -9.548 3.246 -7.823 1.00 33.10 H new ATOM 0 HD13 LEU A 140 -10.798 2.956 -6.590 1.00 33.10 H new ATOM 0 HD21 LEU A 140 -11.777 5.876 -6.469 1.00 35.42 H new ATOM 0 HD22 LEU A 140 -11.455 4.890 -5.023 1.00 35.42 H new ATOM 0 HD23 LEU A 140 -10.647 6.462 -5.225 1.00 35.42 H new ATOM 2195 N ALA A 141 -5.828 5.338 -6.498 1.00 55.32 N ATOM 2196 CA ALA A 141 -4.972 6.205 -7.316 1.00 10.05 C ATOM 2197 C ALA A 141 -4.072 5.371 -8.239 1.00 74.20 C ATOM 2198 O ALA A 141 -4.013 5.608 -9.446 1.00 35.32 O ATOM 2199 CB ALA A 141 -4.132 7.115 -6.428 1.00 52.04 C ATOM 0 H ALA A 141 -5.611 5.355 -5.501 1.00 55.32 H new ATOM 0 HA ALA A 141 -5.614 6.827 -7.940 1.00 10.05 H new ATOM 0 HB1 ALA A 141 -3.503 7.751 -7.051 1.00 52.04 H new ATOM 0 HB2 ALA A 141 -4.789 7.737 -5.820 1.00 52.04 H new ATOM 0 HB3 ALA A 141 -3.503 6.508 -5.777 1.00 52.04 H new ATOM 2205 N VAL A 142 -3.376 4.391 -7.657 1.00 23.15 N ATOM 2206 CA VAL A 142 -2.574 3.441 -8.436 1.00 65.10 C ATOM 2207 C VAL A 142 -3.451 2.713 -9.466 1.00 22.23 C ATOM 2208 O VAL A 142 -3.094 2.601 -10.642 1.00 54.11 O ATOM 2209 CB VAL A 142 -1.887 2.399 -7.517 1.00 33.33 C ATOM 2210 CG1 VAL A 142 -1.107 1.373 -8.336 1.00 54.31 C ATOM 2211 CG2 VAL A 142 -0.975 3.091 -6.505 1.00 33.02 C ATOM 0 H VAL A 142 -3.351 4.234 -6.650 1.00 23.15 H new ATOM 0 HA VAL A 142 -1.803 4.011 -8.954 1.00 65.10 H new ATOM 0 HB VAL A 142 -2.666 1.868 -6.970 1.00 33.33 H new ATOM 0 HG11 VAL A 142 -0.636 0.655 -7.665 1.00 54.31 H new ATOM 0 HG12 VAL A 142 -1.788 0.850 -9.008 1.00 54.31 H new ATOM 0 HG13 VAL A 142 -0.340 1.881 -8.921 1.00 54.31 H new ATOM 0 HG21 VAL A 142 -0.502 2.342 -5.869 1.00 33.02 H new ATOM 0 HG22 VAL A 142 -0.207 3.655 -7.034 1.00 33.02 H new ATOM 0 HG23 VAL A 142 -1.564 3.770 -5.889 1.00 33.02 H new ATOM 2221 N GLN A 143 -4.604 2.223 -9.011 1.00 74.14 N ATOM 2222 CA GLN A 143 -5.594 1.606 -9.903 1.00 31.32 C ATOM 2223 C GLN A 143 -5.974 2.539 -11.070 1.00 11.34 C ATOM 2224 O GLN A 143 -6.000 2.115 -12.224 1.00 74.10 O ATOM 2225 CB GLN A 143 -6.846 1.206 -9.107 1.00 52.11 C ATOM 2226 CG GLN A 143 -8.008 0.736 -9.977 1.00 2.40 C ATOM 2227 CD GLN A 143 -9.161 0.151 -9.179 1.00 63.05 C ATOM 2228 OE1 GLN A 143 -9.389 0.505 -8.021 1.00 44.40 O ATOM 2229 NE2 GLN A 143 -9.908 -0.735 -9.805 1.00 14.40 N ATOM 0 H GLN A 143 -4.879 2.240 -8.029 1.00 74.14 H new ATOM 0 HA GLN A 143 -5.142 0.712 -10.333 1.00 31.32 H new ATOM 0 HB2 GLN A 143 -6.582 0.411 -8.410 1.00 52.11 H new ATOM 0 HB3 GLN A 143 -7.173 2.058 -8.511 1.00 52.11 H new ATOM 0 HG2 GLN A 143 -8.374 1.576 -10.567 1.00 2.40 H new ATOM 0 HG3 GLN A 143 -7.646 -0.014 -10.681 1.00 2.40 H new ATOM 0 HE21 GLN A 143 -9.687 -1.002 -10.764 1.00 14.40 H new ATOM 0 HE22 GLN A 143 -10.708 -1.154 -9.331 1.00 14.40 H new ATOM 2238 N GLN A 144 -6.256 3.810 -10.768 1.00 64.33 N ATOM 2239 CA GLN A 144 -6.573 4.805 -11.806 1.00 13.13 C ATOM 2240 C GLN A 144 -5.436 4.926 -12.834 1.00 54.10 C ATOM 2241 O GLN A 144 -5.681 5.087 -14.031 1.00 41.11 O ATOM 2242 CB GLN A 144 -6.859 6.178 -11.173 1.00 53.32 C ATOM 2243 CG GLN A 144 -8.209 6.268 -10.464 1.00 33.22 C ATOM 2244 CD GLN A 144 -8.411 7.594 -9.746 1.00 71.41 C ATOM 2245 OE1 GLN A 144 -9.211 7.590 -8.698 1.00 61.11 O flip ATOM 2246 NE2 GLN A 144 -7.868 8.619 -10.142 1.00 65.43 N flip ATOM 0 H GLN A 144 -6.272 4.177 -9.816 1.00 64.33 H new ATOM 0 HA GLN A 144 -7.467 4.462 -12.327 1.00 13.13 H new ATOM 0 HB2 GLN A 144 -6.069 6.408 -10.458 1.00 53.32 H new ATOM 0 HB3 GLN A 144 -6.817 6.941 -11.951 1.00 53.32 H new ATOM 0 HG2 GLN A 144 -9.007 6.130 -11.193 1.00 33.22 H new ATOM 0 HG3 GLN A 144 -8.291 5.454 -9.744 1.00 33.22 H new ATOM 0 HE21 GLN A 144 -7.254 8.589 -10.956 1.00 65.43 H new ATOM 0 HE22 GLN A 144 -8.030 9.502 -9.657 1.00 65.43 H new ATOM 2255 N VAL A 145 -4.194 4.847 -12.364 1.00 41.02 N ATOM 2256 CA VAL A 145 -3.033 4.874 -13.260 1.00 34.14 C ATOM 2257 C VAL A 145 -3.012 3.635 -14.175 1.00 72.23 C ATOM 2258 O VAL A 145 -2.876 3.755 -15.393 1.00 20.31 O ATOM 2259 CB VAL A 145 -1.702 4.956 -12.466 1.00 22.23 C ATOM 2260 CG1 VAL A 145 -0.496 4.919 -13.408 1.00 53.14 C ATOM 2261 CG2 VAL A 145 -1.668 6.214 -11.596 1.00 44.02 C ATOM 0 H VAL A 145 -3.962 4.764 -11.374 1.00 41.02 H new ATOM 0 HA VAL A 145 -3.126 5.769 -13.875 1.00 34.14 H new ATOM 0 HB VAL A 145 -1.646 4.085 -11.813 1.00 22.23 H new ATOM 0 HG11 VAL A 145 0.423 4.978 -12.825 1.00 53.14 H new ATOM 0 HG12 VAL A 145 -0.506 3.989 -13.976 1.00 53.14 H new ATOM 0 HG13 VAL A 145 -0.545 5.764 -14.095 1.00 53.14 H new ATOM 0 HG21 VAL A 145 -0.727 6.252 -11.048 1.00 44.02 H new ATOM 0 HG22 VAL A 145 -1.755 7.097 -12.229 1.00 44.02 H new ATOM 0 HG23 VAL A 145 -2.498 6.191 -10.890 1.00 44.02 H new ATOM 2271 N LEU A 146 -3.177 2.450 -13.585 1.00 54.14 N ATOM 2272 CA LEU A 146 -3.132 1.188 -14.338 1.00 3.32 C ATOM 2273 C LEU A 146 -4.351 1.031 -15.269 1.00 61.24 C ATOM 2274 O LEU A 146 -4.200 0.915 -16.489 1.00 33.22 O ATOM 2275 CB LEU A 146 -3.054 0.006 -13.361 1.00 43.40 C ATOM 2276 CG LEU A 146 -1.817 0.005 -12.444 1.00 63.52 C ATOM 2277 CD1 LEU A 146 -1.882 -1.145 -11.442 1.00 55.54 C ATOM 2278 CD2 LEU A 146 -0.529 -0.065 -13.269 1.00 72.30 C ATOM 0 H LEU A 146 -3.344 2.334 -12.585 1.00 54.14 H new ATOM 0 HA LEU A 146 -2.242 1.203 -14.967 1.00 3.32 H new ATOM 0 HB2 LEU A 146 -3.949 0.007 -12.739 1.00 43.40 H new ATOM 0 HB3 LEU A 146 -3.065 -0.921 -13.934 1.00 43.40 H new ATOM 0 HG LEU A 146 -1.811 0.940 -11.884 1.00 63.52 H new ATOM 0 HD11 LEU A 146 -0.997 -1.124 -10.806 1.00 55.54 H new ATOM 0 HD12 LEU A 146 -2.775 -1.040 -10.825 1.00 55.54 H new ATOM 0 HD13 LEU A 146 -1.921 -2.093 -11.978 1.00 55.54 H new ATOM 0 HD21 LEU A 146 0.332 -0.064 -12.600 1.00 72.30 H new ATOM 0 HD22 LEU A 146 -0.527 -0.979 -13.863 1.00 72.30 H new ATOM 0 HD23 LEU A 146 -0.474 0.799 -13.932 1.00 72.30 H new ATOM 2290 N ASP A 147 -5.556 1.062 -14.698 1.00 35.41 N ATOM 2291 CA ASP A 147 -6.796 0.958 -15.483 1.00 63.21 C ATOM 2292 C ASP A 147 -6.967 2.149 -16.445 1.00 62.20 C ATOM 2293 O ASP A 147 -7.681 2.060 -17.447 1.00 3.04 O ATOM 2294 CB ASP A 147 -8.016 0.847 -14.554 1.00 24.02 C ATOM 2295 CG ASP A 147 -8.088 -0.488 -13.825 1.00 22.11 C ATOM 2296 OD1 ASP A 147 -7.439 -1.455 -14.275 1.00 41.40 O ATOM 2297 OD2 ASP A 147 -8.827 -0.587 -12.821 1.00 53.20 O ATOM 0 H ASP A 147 -5.704 1.158 -13.693 1.00 35.41 H new ATOM 0 HA ASP A 147 -6.724 0.052 -16.085 1.00 63.21 H new ATOM 0 HB2 ASP A 147 -7.983 1.654 -13.822 1.00 24.02 H new ATOM 0 HB3 ASP A 147 -8.925 0.985 -15.139 1.00 24.02 H new