USER MOD reduce.3.24.130724 H: found=0, std=0, add=1194, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1195 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 104 GLN :FLIP amide:sc= -0.0325 F(o=-2.2!,f=-0.33) USER MOD Set 1.2: A 152 ASN : amide:sc= -0.296 X(o=-0.33,f=-0.58) USER MOD Set 2.1: A 30 CYS SG : rot 18:sc= -0.556 USER MOD Set 2.2: A 70 HIS : no HD1:sc= 0.515 K(o=-0.041,f=-4.2!) USER MOD Set 3.1: A 44 TYR OH : rot -140:sc= 1.09 USER MOD Set 3.2: A 93 THR OG1 : rot -83:sc= 1.62 USER MOD Set 3.3: A 115 ASN : amide:sc= 0.761 K(o=3.5,f=1.6) USER MOD Set 4.1: A 14 ASN : amide:sc= -0.849 K(o=-1.3,f=-4!) USER MOD Set 4.2: A 114 ASN :FLIP amide:sc= -0.392 F(o=-2.7,f=-1.3) USER MOD Set 4.3: A 138 ASN :FLIP amide:sc= -0.0137 F(o=-2.7,f=-1.3) USER MOD Set 5.1: A 8 ASN : amide:sc= 0.0457 K(o=-0.15,f=-0.66) USER MOD Set 5.2: A 27 THR OG1 : rot -170:sc= -0.195 USER MOD Single : A 3 LYS NZ :NH3+ -172:sc= 1.53 (180deg=1.37) USER MOD Single : A 5 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.68) USER MOD Single : A 7 ASN :FLIP amide:sc= -0.0549 F(o=-0.76,f=-0.055) USER MOD Single : A 16 SER OG : rot -170:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.5) USER MOD Single : A 23 GLN :FLIP amide:sc=-0.00609 F(o=-0.75,f=-0.0061) USER MOD Single : A 35 SER OG : rot 106:sc= 1.26 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 38:sc= -0.483 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0.484 K(o=0.48,f=-8.8!) USER MOD Single : A 59 SER OG : rot 42:sc= 0.0702 USER MOD Single : A 71 MET CE :methyl 159:sc= 0 (180deg=-0.421) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0.523 K(o=0.52,f=-7!) USER MOD Single : A 98 THR OG1 : rot 150:sc= -0.159 USER MOD Single : A 99 CYS SG : rot -88:sc= 0.754 USER MOD Single : A 100 THR OG1 : rot 160:sc= 1.27 USER MOD Single : A 101 TYR OH : rot -139:sc= 1.74 USER MOD Single : A 111 TYR OH : rot -115:sc= -0.261 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 TYR OH : rot 180:sc= -3.79! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.022 USER MOD Single : A 120 THR OG1 : rot 180:sc=0.000427 USER MOD Single : A 125 ASN :FLIP amide:sc= -0.656 F(o=-2.2!,f=-0.66) USER MOD Single : A 129 LYS NZ :NH3+ 128:sc= -0.131 (180deg=-0.666) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 GLN : amide:sc= -1.45 K(o=-1.4,f=-2) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 143 ASN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 147 THR OG1 : rot 77:sc= 0.963 USER MOD Single : A 150 HIS : no HD1:sc=-0.00172 X(o=-0.0017,f=-0.17) USER MOD Single : A 156 ASN :FLIP amide:sc= -0.0679 F(o=-2.1!,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 -22.006 0.533 6.125 1.00 0.91 N ATOM 19 CA ALA A 2 -20.710 0.123 5.606 1.00 0.66 C ATOM 20 C ALA A 2 -20.873 -0.866 4.462 1.00 0.57 C ATOM 21 O ALA A 2 -21.497 -1.913 4.617 1.00 0.68 O ATOM 22 CB ALA A 2 -19.865 -0.481 6.718 1.00 1.48 C ATOM 0 HA ALA A 2 -20.200 1.005 5.219 1.00 0.66 H new ATOM 0 HB1 ALA A 2 -18.898 -0.784 6.317 1.00 1.48 H new ATOM 0 HB2 ALA A 2 -19.716 0.259 7.504 1.00 1.48 H new ATOM 0 HB3 ALA A 2 -20.375 -1.351 7.131 1.00 1.48 H new ATOM 28 N LYS A 3 -20.318 -0.525 3.309 1.00 0.46 N ATOM 29 CA LYS A 3 -20.429 -1.382 2.139 1.00 0.45 C ATOM 30 C LYS A 3 -19.227 -2.301 1.996 1.00 0.35 C ATOM 31 O LYS A 3 -19.344 -3.371 1.425 1.00 0.36 O ATOM 32 CB LYS A 3 -20.596 -0.566 0.856 1.00 0.54 C ATOM 33 CG LYS A 3 -22.005 -0.049 0.631 1.00 0.82 C ATOM 34 CD LYS A 3 -22.296 1.171 1.475 1.00 0.81 C ATOM 35 CE LYS A 3 -23.764 1.540 1.428 1.00 0.91 C ATOM 36 NZ LYS A 3 -24.271 1.639 0.030 1.00 0.98 N ATOM 0 H LYS A 3 -19.789 0.334 3.159 1.00 0.46 H new ATOM 0 HA LYS A 3 -21.320 -1.991 2.290 1.00 0.45 H new ATOM 0 HB2 LYS A 3 -19.910 0.280 0.884 1.00 0.54 H new ATOM 0 HB3 LYS A 3 -20.306 -1.183 0.005 1.00 0.54 H new ATOM 0 HG2 LYS A 3 -22.138 0.197 -0.422 1.00 0.82 H new ATOM 0 HG3 LYS A 3 -22.723 -0.835 0.868 1.00 0.82 H new ATOM 0 HD2 LYS A 3 -22.000 0.980 2.507 1.00 0.81 H new ATOM 0 HD3 LYS A 3 -21.697 2.010 1.122 1.00 0.81 H new ATOM 0 HE2 LYS A 3 -24.343 0.793 1.971 1.00 0.91 H new ATOM 0 HE3 LYS A 3 -23.915 2.492 1.936 1.00 0.91 H new ATOM 0 HZ1 LYS A 3 -25.237 2.024 0.038 1.00 0.98 H new ATOM 0 HZ2 LYS A 3 -23.652 2.268 -0.520 1.00 0.98 H new ATOM 0 HZ3 LYS A 3 -24.278 0.694 -0.405 1.00 0.98 H new ATOM 50 N VAL A 4 -18.081 -1.893 2.511 1.00 0.32 N ATOM 51 CA VAL A 4 -16.865 -2.685 2.354 1.00 0.29 C ATOM 52 C VAL A 4 -16.087 -2.760 3.656 1.00 0.33 C ATOM 53 O VAL A 4 -15.784 -1.742 4.276 1.00 0.45 O ATOM 54 CB VAL A 4 -15.951 -2.134 1.227 1.00 0.28 C ATOM 55 CG1 VAL A 4 -14.515 -2.623 1.386 1.00 0.31 C ATOM 56 CG2 VAL A 4 -16.481 -2.549 -0.135 1.00 0.27 C ATOM 0 H VAL A 4 -17.962 -1.027 3.037 1.00 0.32 H new ATOM 0 HA VAL A 4 -17.182 -3.689 2.071 1.00 0.29 H new ATOM 0 HB VAL A 4 -15.955 -1.047 1.303 1.00 0.28 H new ATOM 0 HG11 VAL A 4 -13.902 -2.219 0.581 1.00 0.31 H new ATOM 0 HG12 VAL A 4 -14.121 -2.288 2.345 1.00 0.31 H new ATOM 0 HG13 VAL A 4 -14.495 -3.712 1.346 1.00 0.31 H new ATOM 0 HG21 VAL A 4 -15.829 -2.155 -0.915 1.00 0.27 H new ATOM 0 HG22 VAL A 4 -16.507 -3.637 -0.199 1.00 0.27 H new ATOM 0 HG23 VAL A 4 -17.488 -2.153 -0.270 1.00 0.27 H new ATOM 66 N GLN A 5 -15.793 -3.978 4.068 1.00 0.30 N ATOM 67 CA GLN A 5 -14.955 -4.214 5.225 1.00 0.34 C ATOM 68 C GLN A 5 -13.817 -5.141 4.819 1.00 0.31 C ATOM 69 O GLN A 5 -14.040 -6.315 4.531 1.00 0.32 O ATOM 70 CB GLN A 5 -15.787 -4.841 6.354 1.00 0.41 C ATOM 71 CG GLN A 5 -15.238 -4.619 7.763 1.00 0.72 C ATOM 72 CD GLN A 5 -13.833 -5.160 7.961 1.00 0.81 C ATOM 73 OE1 GLN A 5 -13.643 -6.333 8.273 1.00 1.33 O ATOM 74 NE2 GLN A 5 -12.841 -4.296 7.816 1.00 1.39 N ATOM 0 H GLN A 5 -16.127 -4.827 3.612 1.00 0.30 H new ATOM 0 HA GLN A 5 -14.544 -3.273 5.590 1.00 0.34 H new ATOM 0 HB2 GLN A 5 -16.798 -4.437 6.307 1.00 0.41 H new ATOM 0 HB3 GLN A 5 -15.864 -5.914 6.175 1.00 0.41 H new ATOM 0 HG2 GLN A 5 -15.241 -3.551 7.981 1.00 0.72 H new ATOM 0 HG3 GLN A 5 -15.905 -5.093 8.483 1.00 0.72 H new ATOM 0 HE21 GLN A 5 -13.040 -3.330 7.556 1.00 1.39 H new ATOM 0 HE22 GLN A 5 -11.878 -4.596 7.964 1.00 1.39 H new ATOM 83 N VAL A 6 -12.608 -4.609 4.751 1.00 0.32 N ATOM 84 CA VAL A 6 -11.444 -5.426 4.447 1.00 0.34 C ATOM 85 C VAL A 6 -11.140 -6.348 5.621 1.00 0.38 C ATOM 86 O VAL A 6 -10.636 -5.906 6.654 1.00 0.60 O ATOM 87 CB VAL A 6 -10.204 -4.567 4.126 1.00 0.38 C ATOM 88 CG1 VAL A 6 -9.009 -5.450 3.792 1.00 1.12 C ATOM 89 CG2 VAL A 6 -10.499 -3.609 2.981 1.00 1.32 C ATOM 0 H VAL A 6 -12.407 -3.620 4.901 1.00 0.32 H new ATOM 0 HA VAL A 6 -11.677 -6.016 3.561 1.00 0.34 H new ATOM 0 HB VAL A 6 -9.957 -3.980 5.010 1.00 0.38 H new ATOM 0 HG11 VAL A 6 -8.145 -4.824 3.569 1.00 1.12 H new ATOM 0 HG12 VAL A 6 -8.782 -6.092 4.643 1.00 1.12 H new ATOM 0 HG13 VAL A 6 -9.244 -6.067 2.925 1.00 1.12 H new ATOM 0 HG21 VAL A 6 -9.612 -3.011 2.769 1.00 1.32 H new ATOM 0 HG22 VAL A 6 -10.774 -4.178 2.093 1.00 1.32 H new ATOM 0 HG23 VAL A 6 -11.322 -2.951 3.260 1.00 1.32 H new ATOM 99 N ASN A 7 -11.475 -7.624 5.465 1.00 0.32 N ATOM 100 CA ASN A 7 -11.285 -8.601 6.532 1.00 0.36 C ATOM 101 C ASN A 7 -9.830 -9.038 6.581 1.00 0.37 C ATOM 102 O ASN A 7 -9.076 -8.671 7.483 1.00 0.46 O ATOM 103 CB ASN A 7 -12.159 -9.853 6.326 1.00 0.37 C ATOM 104 CG ASN A 7 -13.650 -9.645 6.559 1.00 0.45 C ATOM 105 OD1 ASN A 7 -14.195 -8.524 6.121 1.00 0.96 O flip ATOM 106 ND2 ASN A 7 -14.322 -10.519 7.105 1.00 0.53 N flip ATOM 0 H ASN A 7 -11.879 -8.006 4.610 1.00 0.32 H new ATOM 0 HA ASN A 7 -11.576 -8.119 7.465 1.00 0.36 H new ATOM 0 HB2 ASN A 7 -12.013 -10.216 5.309 1.00 0.37 H new ATOM 0 HB3 ASN A 7 -11.808 -10.637 6.997 1.00 0.37 H new ATOM 0 HD21 ASN A 7 -13.875 -11.375 7.434 1.00 0.53 H new ATOM 0 HD22 ASN A 7 -15.326 -10.388 7.229 1.00 0.53 H new ATOM 113 N ASN A 8 -9.451 -9.820 5.588 1.00 0.33 N ATOM 114 CA ASN A 8 -8.120 -10.388 5.515 1.00 0.39 C ATOM 115 C ASN A 8 -7.284 -9.619 4.518 1.00 0.39 C ATOM 116 O ASN A 8 -7.713 -9.405 3.391 1.00 0.48 O ATOM 117 CB ASN A 8 -8.199 -11.866 5.116 1.00 0.44 C ATOM 118 CG ASN A 8 -6.847 -12.464 4.765 1.00 0.70 C ATOM 119 OD1 ASN A 8 -6.092 -12.875 5.646 1.00 1.25 O ATOM 120 ND2 ASN A 8 -6.550 -12.551 3.475 1.00 1.47 N ATOM 0 H ASN A 8 -10.058 -10.079 4.810 1.00 0.33 H new ATOM 0 HA ASN A 8 -7.650 -10.317 6.496 1.00 0.39 H new ATOM 0 HB2 ASN A 8 -8.639 -12.434 5.936 1.00 0.44 H new ATOM 0 HB3 ASN A 8 -8.868 -11.970 4.262 1.00 0.44 H new ATOM 0 HD21 ASN A 8 -5.668 -12.971 3.182 1.00 1.47 H new ATOM 0 HD22 ASN A 8 -7.204 -12.198 2.776 1.00 1.47 H new ATOM 127 N VAL A 9 -6.112 -9.192 4.919 1.00 0.42 N ATOM 128 CA VAL A 9 -5.208 -8.554 3.991 1.00 0.45 C ATOM 129 C VAL A 9 -3.780 -9.036 4.227 1.00 0.50 C ATOM 130 O VAL A 9 -3.073 -8.567 5.120 1.00 0.60 O ATOM 131 CB VAL A 9 -5.315 -7.008 4.052 1.00 0.48 C ATOM 132 CG1 VAL A 9 -5.100 -6.477 5.463 1.00 0.78 C ATOM 133 CG2 VAL A 9 -4.349 -6.364 3.072 1.00 1.01 C ATOM 0 H VAL A 9 -5.762 -9.273 5.874 1.00 0.42 H new ATOM 0 HA VAL A 9 -5.499 -8.843 2.981 1.00 0.45 H new ATOM 0 HB VAL A 9 -6.330 -6.739 3.761 1.00 0.48 H new ATOM 0 HG11 VAL A 9 -5.184 -5.390 5.459 1.00 0.78 H new ATOM 0 HG12 VAL A 9 -5.854 -6.897 6.129 1.00 0.78 H new ATOM 0 HG13 VAL A 9 -4.108 -6.763 5.812 1.00 0.78 H new ATOM 0 HG21 VAL A 9 -4.440 -5.279 3.131 1.00 1.01 H new ATOM 0 HG22 VAL A 9 -3.329 -6.656 3.321 1.00 1.01 H new ATOM 0 HG23 VAL A 9 -4.584 -6.693 2.060 1.00 1.01 H new ATOM 143 N VAL A 10 -3.371 -9.999 3.415 1.00 0.52 N ATOM 144 CA VAL A 10 -2.068 -10.613 3.564 1.00 0.61 C ATOM 145 C VAL A 10 -1.037 -9.896 2.711 1.00 0.47 C ATOM 146 O VAL A 10 -1.362 -9.314 1.671 1.00 0.48 O ATOM 147 CB VAL A 10 -2.087 -12.119 3.211 1.00 0.81 C ATOM 148 CG1 VAL A 10 -2.939 -12.891 4.205 1.00 1.54 C ATOM 149 CG2 VAL A 10 -2.590 -12.343 1.795 1.00 1.24 C ATOM 0 H VAL A 10 -3.927 -10.370 2.645 1.00 0.52 H new ATOM 0 HA VAL A 10 -1.794 -10.522 4.615 1.00 0.61 H new ATOM 0 HB VAL A 10 -1.063 -12.489 3.269 1.00 0.81 H new ATOM 0 HG11 VAL A 10 -2.940 -13.948 3.940 1.00 1.54 H new ATOM 0 HG12 VAL A 10 -2.529 -12.769 5.208 1.00 1.54 H new ATOM 0 HG13 VAL A 10 -3.960 -12.510 4.182 1.00 1.54 H new ATOM 0 HG21 VAL A 10 -2.593 -13.410 1.574 1.00 1.24 H new ATOM 0 HG22 VAL A 10 -3.603 -11.951 1.702 1.00 1.24 H new ATOM 0 HG23 VAL A 10 -1.936 -11.829 1.091 1.00 1.24 H new ATOM 159 N VAL A 11 0.202 -9.935 3.158 1.00 0.44 N ATOM 160 CA VAL A 11 1.267 -9.230 2.488 1.00 0.39 C ATOM 161 C VAL A 11 2.274 -10.211 1.932 1.00 0.41 C ATOM 162 O VAL A 11 2.994 -10.882 2.677 1.00 0.52 O ATOM 163 CB VAL A 11 1.978 -8.242 3.433 1.00 0.48 C ATOM 164 CG1 VAL A 11 3.113 -7.531 2.715 1.00 0.81 C ATOM 165 CG2 VAL A 11 0.986 -7.236 3.993 1.00 0.91 C ATOM 0 H VAL A 11 0.494 -10.452 3.988 1.00 0.44 H new ATOM 0 HA VAL A 11 0.820 -8.660 1.673 1.00 0.39 H new ATOM 0 HB VAL A 11 2.403 -8.807 4.263 1.00 0.48 H new ATOM 0 HG11 VAL A 11 3.601 -6.839 3.401 1.00 0.81 H new ATOM 0 HG12 VAL A 11 3.838 -8.265 2.364 1.00 0.81 H new ATOM 0 HG13 VAL A 11 2.715 -6.978 1.864 1.00 0.81 H new ATOM 0 HG21 VAL A 11 1.504 -6.546 4.658 1.00 0.91 H new ATOM 0 HG22 VAL A 11 0.532 -6.678 3.174 1.00 0.91 H new ATOM 0 HG23 VAL A 11 0.209 -7.761 4.549 1.00 0.91 H new ATOM 175 N LEU A 12 2.297 -10.309 0.623 1.00 0.40 N ATOM 176 CA LEU A 12 3.299 -11.088 -0.061 1.00 0.45 C ATOM 177 C LEU A 12 4.403 -10.130 -0.461 1.00 0.57 C ATOM 178 O LEU A 12 4.399 -8.987 -0.001 1.00 1.18 O ATOM 179 CB LEU A 12 2.705 -11.798 -1.283 1.00 0.50 C ATOM 180 CG LEU A 12 1.509 -12.719 -0.998 1.00 0.55 C ATOM 181 CD1 LEU A 12 0.221 -11.923 -0.831 1.00 0.92 C ATOM 182 CD2 LEU A 12 1.351 -13.740 -2.110 1.00 1.16 C ATOM 0 H LEU A 12 1.625 -9.853 0.006 1.00 0.40 H new ATOM 0 HA LEU A 12 3.690 -11.872 0.587 1.00 0.45 H new ATOM 0 HB2 LEU A 12 2.395 -11.042 -2.005 1.00 0.50 H new ATOM 0 HB3 LEU A 12 3.490 -12.388 -1.756 1.00 0.50 H new ATOM 0 HG LEU A 12 1.707 -13.240 -0.061 1.00 0.55 H new ATOM 0 HD11 LEU A 12 -0.605 -12.605 -0.631 1.00 0.92 H new ATOM 0 HD12 LEU A 12 0.328 -11.228 0.002 1.00 0.92 H new ATOM 0 HD13 LEU A 12 0.017 -11.365 -1.745 1.00 0.92 H new ATOM 0 HD21 LEU A 12 0.499 -14.385 -1.893 1.00 1.16 H new ATOM 0 HD22 LEU A 12 1.185 -13.225 -3.056 1.00 1.16 H new ATOM 0 HD23 LEU A 12 2.255 -14.344 -2.180 1.00 1.16 H new ATOM 194 N ASP A 13 5.359 -10.579 -1.272 1.00 0.84 N ATOM 195 CA ASP A 13 6.465 -9.712 -1.701 1.00 1.01 C ATOM 196 C ASP A 13 7.414 -9.435 -0.530 1.00 0.85 C ATOM 197 O ASP A 13 8.469 -8.834 -0.682 1.00 1.01 O ATOM 198 CB ASP A 13 5.913 -8.403 -2.307 1.00 1.29 C ATOM 199 CG ASP A 13 6.941 -7.294 -2.431 1.00 2.15 C ATOM 200 OD1 ASP A 13 7.997 -7.519 -3.043 1.00 2.73 O ATOM 201 OD2 ASP A 13 6.687 -6.178 -1.931 1.00 2.57 O ATOM 0 H ASP A 13 5.395 -11.528 -1.645 1.00 0.84 H new ATOM 0 HA ASP A 13 7.037 -10.223 -2.475 1.00 1.01 H new ATOM 0 HB2 ASP A 13 5.505 -8.617 -3.295 1.00 1.29 H new ATOM 0 HB3 ASP A 13 5.087 -8.050 -1.690 1.00 1.29 H new ATOM 206 N ASN A 14 7.061 -9.921 0.642 1.00 0.68 N ATOM 207 CA ASN A 14 7.896 -9.708 1.812 1.00 0.63 C ATOM 208 C ASN A 14 8.676 -10.966 2.182 1.00 0.57 C ATOM 209 O ASN A 14 8.084 -12.016 2.446 1.00 0.67 O ATOM 210 CB ASN A 14 7.029 -9.296 3.001 1.00 0.78 C ATOM 211 CG ASN A 14 7.832 -9.182 4.281 1.00 0.96 C ATOM 212 OD1 ASN A 14 8.974 -8.727 4.274 1.00 1.88 O ATOM 213 ND2 ASN A 14 7.251 -9.621 5.385 1.00 1.40 N ATOM 0 H ASN A 14 6.212 -10.460 0.812 1.00 0.68 H new ATOM 0 HA ASN A 14 8.607 -8.918 1.569 1.00 0.63 H new ATOM 0 HB2 ASN A 14 6.552 -8.340 2.787 1.00 0.78 H new ATOM 0 HB3 ASN A 14 6.232 -10.027 3.138 1.00 0.78 H new ATOM 0 HD21 ASN A 14 7.753 -9.589 6.273 1.00 1.40 H new ATOM 0 HD22 ASN A 14 6.301 -9.991 5.349 1.00 1.40 H new ATOM 220 N PRO A 15 10.016 -10.882 2.207 1.00 0.51 N ATOM 221 CA PRO A 15 10.778 -9.774 1.638 1.00 0.45 C ATOM 222 C PRO A 15 11.247 -10.095 0.217 1.00 0.44 C ATOM 223 O PRO A 15 11.627 -11.234 -0.068 1.00 0.48 O ATOM 224 CB PRO A 15 11.987 -9.666 2.579 1.00 0.48 C ATOM 225 CG PRO A 15 11.950 -10.891 3.454 1.00 0.57 C ATOM 226 CD PRO A 15 10.912 -11.816 2.871 1.00 0.60 C ATOM 0 HA PRO A 15 10.194 -8.857 1.563 1.00 0.45 H new ATOM 0 HB2 PRO A 15 12.918 -9.620 2.013 1.00 0.48 H new ATOM 0 HB3 PRO A 15 11.933 -8.758 3.179 1.00 0.48 H new ATOM 0 HG2 PRO A 15 12.926 -11.375 3.482 1.00 0.57 H new ATOM 0 HG3 PRO A 15 11.697 -10.625 4.480 1.00 0.57 H new ATOM 0 HD2 PRO A 15 11.348 -12.530 2.173 1.00 0.60 H new ATOM 0 HD3 PRO A 15 10.402 -12.394 3.641 1.00 0.60 H new ATOM 234 N SER A 16 11.220 -9.108 -0.669 1.00 0.42 N ATOM 235 CA SER A 16 11.583 -9.335 -2.068 1.00 0.47 C ATOM 236 C SER A 16 12.264 -8.110 -2.679 1.00 0.45 C ATOM 237 O SER A 16 12.261 -7.030 -2.081 1.00 0.43 O ATOM 238 CB SER A 16 10.336 -9.704 -2.880 1.00 0.59 C ATOM 239 OG SER A 16 9.711 -10.861 -2.349 1.00 0.77 O ATOM 0 H SER A 16 10.953 -8.148 -0.450 1.00 0.42 H new ATOM 0 HA SER A 16 12.294 -10.161 -2.099 1.00 0.47 H new ATOM 0 HB2 SER A 16 9.633 -8.871 -2.874 1.00 0.59 H new ATOM 0 HB3 SER A 16 10.613 -9.880 -3.920 1.00 0.59 H new ATOM 0 HG SER A 16 9.016 -11.170 -2.967 1.00 0.77 H new ATOM 245 N PRO A 17 12.887 -8.278 -3.868 1.00 0.52 N ATOM 246 CA PRO A 17 13.519 -7.176 -4.606 1.00 0.52 C ATOM 247 C PRO A 17 12.569 -6.005 -4.857 1.00 0.48 C ATOM 248 O PRO A 17 11.383 -6.194 -5.132 1.00 0.58 O ATOM 249 CB PRO A 17 13.925 -7.819 -5.935 1.00 0.60 C ATOM 250 CG PRO A 17 14.075 -9.266 -5.626 1.00 0.83 C ATOM 251 CD PRO A 17 13.049 -9.568 -4.572 1.00 0.63 C ATOM 0 HA PRO A 17 14.351 -6.749 -4.046 1.00 0.52 H new ATOM 0 HB2 PRO A 17 13.168 -7.655 -6.702 1.00 0.60 H new ATOM 0 HB3 PRO A 17 14.857 -7.396 -6.311 1.00 0.60 H new ATOM 0 HG2 PRO A 17 13.913 -9.875 -6.516 1.00 0.83 H new ATOM 0 HG3 PRO A 17 15.080 -9.487 -5.268 1.00 0.83 H new ATOM 0 HD2 PRO A 17 12.110 -9.906 -5.011 1.00 0.63 H new ATOM 0 HD3 PRO A 17 13.387 -10.354 -3.897 1.00 0.63 H new ATOM 259 N PHE A 18 13.112 -4.800 -4.776 1.00 0.41 N ATOM 260 CA PHE A 18 12.336 -3.577 -4.929 1.00 0.37 C ATOM 261 C PHE A 18 11.809 -3.399 -6.359 1.00 0.36 C ATOM 262 O PHE A 18 10.762 -2.789 -6.565 1.00 0.37 O ATOM 263 CB PHE A 18 13.206 -2.376 -4.518 1.00 0.38 C ATOM 264 CG PHE A 18 12.733 -1.051 -5.049 1.00 0.34 C ATOM 265 CD1 PHE A 18 11.732 -0.347 -4.391 1.00 0.35 C ATOM 266 CD2 PHE A 18 13.288 -0.504 -6.194 1.00 0.35 C ATOM 267 CE1 PHE A 18 11.298 0.875 -4.861 1.00 0.37 C ATOM 268 CE2 PHE A 18 12.856 0.718 -6.673 1.00 0.36 C ATOM 269 CZ PHE A 18 11.855 1.389 -6.054 1.00 0.37 C ATOM 0 H PHE A 18 14.104 -4.641 -4.602 1.00 0.41 H new ATOM 0 HA PHE A 18 11.462 -3.643 -4.281 1.00 0.37 H new ATOM 0 HB2 PHE A 18 13.241 -2.325 -3.430 1.00 0.38 H new ATOM 0 HB3 PHE A 18 14.226 -2.548 -4.862 1.00 0.38 H new ATOM 0 HD1 PHE A 18 11.287 -0.763 -3.499 1.00 0.35 H new ATOM 0 HD2 PHE A 18 14.067 -1.038 -6.718 1.00 0.35 H new ATOM 0 HE1 PHE A 18 10.543 1.431 -4.325 1.00 0.37 H new ATOM 0 HE2 PHE A 18 13.321 1.143 -7.550 1.00 0.36 H new ATOM 0 HZ PHE A 18 11.484 2.314 -6.471 1.00 0.37 H new ATOM 279 N TYR A 19 12.525 -3.924 -7.350 1.00 0.38 N ATOM 280 CA TYR A 19 12.089 -3.795 -8.743 1.00 0.41 C ATOM 281 C TYR A 19 11.016 -4.820 -9.084 1.00 0.44 C ATOM 282 O TYR A 19 10.549 -4.910 -10.222 1.00 0.52 O ATOM 283 CB TYR A 19 13.273 -3.904 -9.701 1.00 0.45 C ATOM 284 CG TYR A 19 14.021 -2.600 -9.851 1.00 0.46 C ATOM 285 CD1 TYR A 19 13.482 -1.558 -10.596 1.00 0.52 C ATOM 286 CD2 TYR A 19 15.248 -2.399 -9.237 1.00 0.58 C ATOM 287 CE1 TYR A 19 14.145 -0.355 -10.727 1.00 0.56 C ATOM 288 CE2 TYR A 19 15.916 -1.195 -9.361 1.00 0.64 C ATOM 289 CZ TYR A 19 15.360 -0.177 -10.107 1.00 0.57 C ATOM 290 OH TYR A 19 16.016 1.026 -10.232 1.00 0.65 O ATOM 0 H TYR A 19 13.398 -4.436 -7.221 1.00 0.38 H new ATOM 0 HA TYR A 19 11.651 -2.804 -8.861 1.00 0.41 H new ATOM 0 HB2 TYR A 19 13.958 -4.672 -9.341 1.00 0.45 H new ATOM 0 HB3 TYR A 19 12.916 -4.228 -10.678 1.00 0.45 H new ATOM 0 HD1 TYR A 19 12.527 -1.692 -11.081 1.00 0.52 H new ATOM 0 HD2 TYR A 19 15.688 -3.194 -8.654 1.00 0.58 H new ATOM 0 HE1 TYR A 19 13.712 0.442 -11.313 1.00 0.56 H new ATOM 0 HE2 TYR A 19 16.870 -1.052 -8.875 1.00 0.64 H new ATOM 0 HH TYR A 19 16.860 0.992 -9.735 1.00 0.65 H new ATOM 300 N ASN A 20 10.628 -5.586 -8.084 1.00 0.44 N ATOM 301 CA ASN A 20 9.506 -6.491 -8.195 1.00 0.48 C ATOM 302 C ASN A 20 8.267 -5.793 -7.625 1.00 0.42 C ATOM 303 O ASN A 20 8.384 -5.000 -6.696 1.00 0.52 O ATOM 304 CB ASN A 20 9.843 -7.801 -7.462 1.00 0.61 C ATOM 305 CG ASN A 20 8.657 -8.435 -6.777 1.00 1.03 C ATOM 306 OD1 ASN A 20 7.941 -9.256 -7.356 1.00 2.07 O ATOM 307 ND2 ASN A 20 8.467 -8.066 -5.529 1.00 0.69 N ATOM 0 H ASN A 20 11.083 -5.597 -7.171 1.00 0.44 H new ATOM 0 HA ASN A 20 9.297 -6.749 -9.233 1.00 0.48 H new ATOM 0 HB2 ASN A 20 10.260 -8.510 -8.177 1.00 0.61 H new ATOM 0 HB3 ASN A 20 10.617 -7.603 -6.720 1.00 0.61 H new ATOM 0 HD21 ASN A 20 7.697 -8.463 -4.991 1.00 0.69 H new ATOM 0 HD22 ASN A 20 9.090 -7.382 -5.099 1.00 0.69 H new ATOM 314 N PRO A 21 7.081 -6.018 -8.204 1.00 0.41 N ATOM 315 CA PRO A 21 5.850 -5.325 -7.789 1.00 0.38 C ATOM 316 C PRO A 21 5.440 -5.593 -6.337 1.00 0.35 C ATOM 317 O PRO A 21 5.627 -6.695 -5.823 1.00 0.42 O ATOM 318 CB PRO A 21 4.784 -5.884 -8.741 1.00 0.44 C ATOM 319 CG PRO A 21 5.544 -6.453 -9.888 1.00 0.62 C ATOM 320 CD PRO A 21 6.838 -6.949 -9.316 1.00 0.57 C ATOM 0 HA PRO A 21 5.985 -4.244 -7.838 1.00 0.38 H new ATOM 0 HB2 PRO A 21 4.180 -6.648 -8.251 1.00 0.44 H new ATOM 0 HB3 PRO A 21 4.101 -5.101 -9.071 1.00 0.44 H new ATOM 0 HG2 PRO A 21 4.989 -7.264 -10.361 1.00 0.62 H new ATOM 0 HG3 PRO A 21 5.719 -5.698 -10.654 1.00 0.62 H new ATOM 0 HD2 PRO A 21 6.759 -7.980 -8.971 1.00 0.57 H new ATOM 0 HD3 PRO A 21 7.643 -6.920 -10.051 1.00 0.57 H new ATOM 328 N PHE A 22 4.900 -4.560 -5.681 1.00 0.33 N ATOM 329 CA PHE A 22 4.266 -4.715 -4.375 1.00 0.34 C ATOM 330 C PHE A 22 3.105 -5.684 -4.504 1.00 0.33 C ATOM 331 O PHE A 22 2.140 -5.415 -5.222 1.00 0.41 O ATOM 332 CB PHE A 22 3.742 -3.372 -3.842 1.00 0.37 C ATOM 333 CG PHE A 22 4.752 -2.555 -3.081 1.00 0.39 C ATOM 334 CD1 PHE A 22 4.960 -2.778 -1.725 1.00 0.43 C ATOM 335 CD2 PHE A 22 5.481 -1.559 -3.710 1.00 0.49 C ATOM 336 CE1 PHE A 22 5.877 -2.025 -1.020 1.00 0.53 C ATOM 337 CE2 PHE A 22 6.399 -0.805 -3.006 1.00 0.57 C ATOM 338 CZ PHE A 22 6.598 -1.038 -1.661 1.00 0.58 C ATOM 0 H PHE A 22 4.892 -3.605 -6.039 1.00 0.33 H new ATOM 0 HA PHE A 22 5.010 -5.093 -3.674 1.00 0.34 H new ATOM 0 HB2 PHE A 22 3.377 -2.781 -4.682 1.00 0.37 H new ATOM 0 HB3 PHE A 22 2.888 -3.564 -3.193 1.00 0.37 H new ATOM 0 HD1 PHE A 22 4.398 -3.548 -1.218 1.00 0.43 H new ATOM 0 HD2 PHE A 22 5.330 -1.370 -4.763 1.00 0.49 H new ATOM 0 HE1 PHE A 22 6.030 -2.208 0.033 1.00 0.53 H new ATOM 0 HE2 PHE A 22 6.962 -0.032 -3.509 1.00 0.57 H new ATOM 0 HZ PHE A 22 7.317 -0.449 -1.111 1.00 0.58 H new ATOM 348 N GLN A 23 3.204 -6.805 -3.823 1.00 0.31 N ATOM 349 CA GLN A 23 2.235 -7.867 -3.985 1.00 0.34 C ATOM 350 C GLN A 23 1.347 -8.003 -2.752 1.00 0.33 C ATOM 351 O GLN A 23 1.738 -8.589 -1.744 1.00 0.38 O ATOM 352 CB GLN A 23 2.958 -9.179 -4.290 1.00 0.45 C ATOM 353 CG GLN A 23 2.040 -10.380 -4.366 1.00 0.97 C ATOM 354 CD GLN A 23 2.750 -11.631 -4.842 1.00 0.90 C ATOM 355 OE1 GLN A 23 4.033 -11.737 -4.546 1.00 1.41 O flip ATOM 356 NE2 GLN A 23 2.147 -12.499 -5.469 1.00 1.13 N flip ATOM 0 H GLN A 23 3.946 -7.005 -3.152 1.00 0.31 H new ATOM 0 HA GLN A 23 1.583 -7.619 -4.823 1.00 0.34 H new ATOM 0 HB2 GLN A 23 3.489 -9.079 -5.237 1.00 0.45 H new ATOM 0 HB3 GLN A 23 3.709 -9.356 -3.521 1.00 0.45 H new ATOM 0 HG2 GLN A 23 1.608 -10.565 -3.382 1.00 0.97 H new ATOM 0 HG3 GLN A 23 1.213 -10.158 -5.041 1.00 0.97 H new ATOM 0 HE21 GLN A 23 1.156 -12.381 -5.679 1.00 1.13 H new ATOM 0 HE22 GLN A 23 2.638 -13.337 -5.780 1.00 1.13 H new ATOM 365 N PHE A 24 0.151 -7.443 -2.846 1.00 0.31 N ATOM 366 CA PHE A 24 -0.828 -7.545 -1.778 1.00 0.33 C ATOM 367 C PHE A 24 -1.981 -8.438 -2.205 1.00 0.36 C ATOM 368 O PHE A 24 -2.308 -8.515 -3.387 1.00 0.50 O ATOM 369 CB PHE A 24 -1.377 -6.164 -1.414 1.00 0.31 C ATOM 370 CG PHE A 24 -0.375 -5.252 -0.772 1.00 0.29 C ATOM 371 CD1 PHE A 24 -0.062 -5.385 0.569 1.00 0.31 C ATOM 372 CD2 PHE A 24 0.237 -4.253 -1.506 1.00 0.32 C ATOM 373 CE1 PHE A 24 0.848 -4.535 1.169 1.00 0.31 C ATOM 374 CE2 PHE A 24 1.149 -3.401 -0.915 1.00 0.32 C ATOM 375 CZ PHE A 24 1.456 -3.540 0.425 1.00 0.30 C ATOM 0 H PHE A 24 -0.165 -6.910 -3.656 1.00 0.31 H new ATOM 0 HA PHE A 24 -0.332 -7.976 -0.908 1.00 0.33 H new ATOM 0 HB2 PHE A 24 -1.758 -5.688 -2.317 1.00 0.31 H new ATOM 0 HB3 PHE A 24 -2.223 -6.289 -0.738 1.00 0.31 H new ATOM 0 HD1 PHE A 24 -0.534 -6.161 1.153 1.00 0.31 H new ATOM 0 HD2 PHE A 24 -0.001 -4.138 -2.553 1.00 0.32 H new ATOM 0 HE1 PHE A 24 1.084 -4.648 2.217 1.00 0.31 H new ATOM 0 HE2 PHE A 24 1.622 -2.626 -1.500 1.00 0.32 H new ATOM 0 HZ PHE A 24 2.168 -2.874 0.890 1.00 0.30 H new ATOM 385 N GLU A 25 -2.587 -9.115 -1.249 1.00 0.31 N ATOM 386 CA GLU A 25 -3.780 -9.894 -1.519 1.00 0.34 C ATOM 387 C GLU A 25 -4.882 -9.484 -0.553 1.00 0.32 C ATOM 388 O GLU A 25 -4.892 -9.874 0.618 1.00 0.35 O ATOM 389 CB GLU A 25 -3.485 -11.388 -1.426 1.00 0.43 C ATOM 390 CG GLU A 25 -4.623 -12.265 -1.923 1.00 0.97 C ATOM 391 CD GLU A 25 -4.246 -13.729 -1.959 1.00 1.43 C ATOM 392 OE1 GLU A 25 -3.879 -14.279 -0.904 1.00 1.72 O ATOM 393 OE2 GLU A 25 -4.316 -14.341 -3.046 1.00 1.98 O ATOM 0 H GLU A 25 -2.273 -9.141 -0.279 1.00 0.31 H new ATOM 0 HA GLU A 25 -4.117 -9.695 -2.536 1.00 0.34 H new ATOM 0 HB2 GLU A 25 -2.588 -11.609 -2.004 1.00 0.43 H new ATOM 0 HB3 GLU A 25 -3.267 -11.643 -0.389 1.00 0.43 H new ATOM 0 HG2 GLU A 25 -5.491 -12.131 -1.277 1.00 0.97 H new ATOM 0 HG3 GLU A 25 -4.917 -11.943 -2.922 1.00 0.97 H new ATOM 400 N ILE A 26 -5.789 -8.665 -1.054 1.00 0.30 N ATOM 401 CA ILE A 26 -6.812 -8.044 -0.237 1.00 0.30 C ATOM 402 C ILE A 26 -8.123 -8.824 -0.299 1.00 0.29 C ATOM 403 O ILE A 26 -8.680 -9.048 -1.374 1.00 0.32 O ATOM 404 CB ILE A 26 -7.070 -6.602 -0.707 1.00 0.30 C ATOM 405 CG1 ILE A 26 -5.749 -5.836 -0.827 1.00 0.30 C ATOM 406 CG2 ILE A 26 -8.011 -5.894 0.256 1.00 0.36 C ATOM 407 CD1 ILE A 26 -5.871 -4.533 -1.585 1.00 0.29 C ATOM 0 H ILE A 26 -5.836 -8.412 -2.041 1.00 0.30 H new ATOM 0 HA ILE A 26 -6.450 -8.042 0.791 1.00 0.30 H new ATOM 0 HB ILE A 26 -7.540 -6.634 -1.690 1.00 0.30 H new ATOM 0 HG12 ILE A 26 -5.366 -5.631 0.173 1.00 0.30 H new ATOM 0 HG13 ILE A 26 -5.015 -6.469 -1.326 1.00 0.30 H new ATOM 0 HG21 ILE A 26 -8.185 -4.875 -0.089 1.00 0.36 H new ATOM 0 HG22 ILE A 26 -8.959 -6.430 0.298 1.00 0.36 H new ATOM 0 HG23 ILE A 26 -7.564 -5.870 1.250 1.00 0.36 H new ATOM 0 HD11 ILE A 26 -4.897 -4.046 -1.630 1.00 0.29 H new ATOM 0 HD12 ILE A 26 -6.224 -4.732 -2.597 1.00 0.29 H new ATOM 0 HD13 ILE A 26 -6.580 -3.881 -1.075 1.00 0.29 H new ATOM 419 N THR A 27 -8.603 -9.242 0.855 1.00 0.31 N ATOM 420 CA THR A 27 -9.904 -9.871 0.957 1.00 0.30 C ATOM 421 C THR A 27 -10.862 -8.944 1.694 1.00 0.27 C ATOM 422 O THR A 27 -10.786 -8.799 2.920 1.00 0.29 O ATOM 423 CB THR A 27 -9.800 -11.205 1.716 1.00 0.36 C ATOM 424 OG1 THR A 27 -8.671 -11.946 1.236 1.00 0.46 O ATOM 425 CG2 THR A 27 -11.065 -12.031 1.548 1.00 0.34 C ATOM 0 H THR A 27 -8.107 -9.156 1.742 1.00 0.31 H new ATOM 0 HA THR A 27 -10.277 -10.066 -0.048 1.00 0.30 H new ATOM 0 HB THR A 27 -9.673 -10.987 2.776 1.00 0.36 H new ATOM 0 HG1 THR A 27 -8.696 -12.854 1.603 1.00 0.46 H new ATOM 0 HG21 THR A 27 -10.963 -12.968 2.095 1.00 0.34 H new ATOM 0 HG22 THR A 27 -11.917 -11.474 1.938 1.00 0.34 H new ATOM 0 HG23 THR A 27 -11.223 -12.244 0.491 1.00 0.34 H new ATOM 433 N PHE A 28 -11.762 -8.320 0.953 1.00 0.23 N ATOM 434 CA PHE A 28 -12.701 -7.385 1.534 1.00 0.22 C ATOM 435 C PHE A 28 -14.115 -7.879 1.319 1.00 0.21 C ATOM 436 O PHE A 28 -14.466 -8.336 0.236 1.00 0.20 O ATOM 437 CB PHE A 28 -12.522 -5.990 0.925 1.00 0.21 C ATOM 438 CG PHE A 28 -12.888 -5.899 -0.532 1.00 0.20 C ATOM 439 CD1 PHE A 28 -12.032 -6.399 -1.500 1.00 0.23 C ATOM 440 CD2 PHE A 28 -14.083 -5.324 -0.935 1.00 0.22 C ATOM 441 CE1 PHE A 28 -12.357 -6.328 -2.839 1.00 0.26 C ATOM 442 CE2 PHE A 28 -14.414 -5.250 -2.275 1.00 0.26 C ATOM 443 CZ PHE A 28 -13.573 -5.706 -3.219 1.00 0.28 C ATOM 0 H PHE A 28 -11.860 -8.447 -0.054 1.00 0.23 H new ATOM 0 HA PHE A 28 -12.509 -7.314 2.605 1.00 0.22 H new ATOM 0 HB2 PHE A 28 -13.131 -5.281 1.486 1.00 0.21 H new ATOM 0 HB3 PHE A 28 -11.483 -5.684 1.046 1.00 0.21 H new ATOM 0 HD1 PHE A 28 -11.097 -6.851 -1.202 1.00 0.23 H new ATOM 0 HD2 PHE A 28 -14.763 -4.930 -0.194 1.00 0.22 H new ATOM 0 HE1 PHE A 28 -11.695 -6.740 -3.586 1.00 0.26 H new ATOM 0 HE2 PHE A 28 -15.361 -4.820 -2.567 1.00 0.26 H new ATOM 0 HZ PHE A 28 -13.823 -5.599 -4.264 1.00 0.28 H new ATOM 453 N GLU A 29 -14.923 -7.796 2.348 1.00 0.22 N ATOM 454 CA GLU A 29 -16.284 -8.264 2.260 1.00 0.23 C ATOM 455 C GLU A 29 -17.226 -7.093 2.100 1.00 0.25 C ATOM 456 O GLU A 29 -17.276 -6.199 2.950 1.00 0.29 O ATOM 457 CB GLU A 29 -16.648 -9.079 3.498 1.00 0.26 C ATOM 458 CG GLU A 29 -18.055 -9.647 3.475 1.00 0.33 C ATOM 459 CD GLU A 29 -18.382 -10.419 4.734 1.00 0.41 C ATOM 460 OE1 GLU A 29 -18.091 -11.635 4.778 1.00 0.67 O ATOM 461 OE2 GLU A 29 -18.937 -9.819 5.676 1.00 0.77 O ATOM 0 H GLU A 29 -14.662 -7.409 3.255 1.00 0.22 H new ATOM 0 HA GLU A 29 -16.378 -8.909 1.386 1.00 0.23 H new ATOM 0 HB2 GLU A 29 -15.938 -9.900 3.601 1.00 0.26 H new ATOM 0 HB3 GLU A 29 -16.537 -8.449 4.380 1.00 0.26 H new ATOM 0 HG2 GLU A 29 -18.771 -8.834 3.353 1.00 0.33 H new ATOM 0 HG3 GLU A 29 -18.166 -10.302 2.611 1.00 0.33 H new ATOM 468 N CYS A 30 -17.935 -7.075 0.989 1.00 0.24 N ATOM 469 CA CYS A 30 -18.952 -6.075 0.774 1.00 0.28 C ATOM 470 C CYS A 30 -20.180 -6.418 1.603 1.00 0.33 C ATOM 471 O CYS A 30 -20.902 -7.374 1.309 1.00 0.35 O ATOM 472 CB CYS A 30 -19.311 -5.960 -0.707 1.00 0.29 C ATOM 473 SG CYS A 30 -17.930 -5.496 -1.781 1.00 0.51 S ATOM 0 H CYS A 30 -17.823 -7.741 0.225 1.00 0.24 H new ATOM 0 HA CYS A 30 -18.565 -5.106 1.090 1.00 0.28 H new ATOM 0 HB2 CYS A 30 -19.713 -6.915 -1.046 1.00 0.29 H new ATOM 0 HB3 CYS A 30 -20.105 -5.222 -0.819 1.00 0.29 H new ATOM 0 HG CYS A 30 -16.807 -5.716 -1.164 1.00 0.51 H new ATOM 479 N ILE A 31 -20.388 -5.649 2.657 1.00 0.39 N ATOM 480 CA ILE A 31 -21.494 -5.872 3.571 1.00 0.45 C ATOM 481 C ILE A 31 -22.785 -5.438 2.902 1.00 0.48 C ATOM 482 O ILE A 31 -23.838 -6.055 3.064 1.00 0.53 O ATOM 483 CB ILE A 31 -21.304 -5.069 4.872 1.00 0.49 C ATOM 484 CG1 ILE A 31 -19.868 -5.220 5.387 1.00 0.46 C ATOM 485 CG2 ILE A 31 -22.304 -5.523 5.926 1.00 0.57 C ATOM 486 CD1 ILE A 31 -19.570 -4.378 6.608 1.00 0.52 C ATOM 0 H ILE A 31 -19.797 -4.855 2.903 1.00 0.39 H new ATOM 0 HA ILE A 31 -21.532 -6.932 3.820 1.00 0.45 H new ATOM 0 HB ILE A 31 -21.484 -4.015 4.661 1.00 0.49 H new ATOM 0 HG12 ILE A 31 -19.685 -6.268 5.625 1.00 0.46 H new ATOM 0 HG13 ILE A 31 -19.175 -4.948 4.591 1.00 0.46 H new ATOM 0 HG21 ILE A 31 -22.157 -4.946 6.839 1.00 0.57 H new ATOM 0 HG22 ILE A 31 -23.318 -5.366 5.557 1.00 0.57 H new ATOM 0 HG23 ILE A 31 -22.154 -6.582 6.137 1.00 0.57 H new ATOM 0 HD11 ILE A 31 -18.536 -4.536 6.916 1.00 0.52 H new ATOM 0 HD12 ILE A 31 -19.721 -3.325 6.369 1.00 0.52 H new ATOM 0 HD13 ILE A 31 -20.238 -4.665 7.420 1.00 0.52 H new ATOM 498 N GLU A 32 -22.669 -4.380 2.123 1.00 0.49 N ATOM 499 CA GLU A 32 -23.787 -3.823 1.397 1.00 0.53 C ATOM 500 C GLU A 32 -23.364 -3.558 -0.040 1.00 0.52 C ATOM 501 O GLU A 32 -22.190 -3.707 -0.378 1.00 0.51 O ATOM 502 CB GLU A 32 -24.277 -2.542 2.076 1.00 0.60 C ATOM 503 CG GLU A 32 -24.944 -2.790 3.425 1.00 0.84 C ATOM 504 CD GLU A 32 -25.364 -1.513 4.127 1.00 1.25 C ATOM 505 OE1 GLU A 32 -26.322 -0.858 3.661 1.00 1.53 O ATOM 506 OE2 GLU A 32 -24.757 -1.171 5.163 1.00 1.83 O ATOM 0 H GLU A 32 -21.791 -3.882 1.977 1.00 0.49 H new ATOM 0 HA GLU A 32 -24.615 -4.531 1.395 1.00 0.53 H new ATOM 0 HB2 GLU A 32 -23.432 -1.867 2.215 1.00 0.60 H new ATOM 0 HB3 GLU A 32 -24.983 -2.037 1.417 1.00 0.60 H new ATOM 0 HG2 GLU A 32 -25.820 -3.422 3.279 1.00 0.84 H new ATOM 0 HG3 GLU A 32 -24.257 -3.341 4.067 1.00 0.84 H new ATOM 513 N ASP A 33 -24.306 -3.165 -0.879 1.00 0.62 N ATOM 514 CA ASP A 33 -24.035 -3.011 -2.302 1.00 0.65 C ATOM 515 C ASP A 33 -23.585 -1.586 -2.622 1.00 0.65 C ATOM 516 O ASP A 33 -24.037 -0.625 -1.988 1.00 0.79 O ATOM 517 CB ASP A 33 -25.282 -3.382 -3.108 1.00 0.76 C ATOM 518 CG ASP A 33 -25.072 -3.273 -4.603 1.00 1.44 C ATOM 519 OD1 ASP A 33 -24.005 -3.708 -5.086 1.00 2.18 O ATOM 520 OD2 ASP A 33 -25.970 -2.759 -5.297 1.00 2.01 O ATOM 0 H ASP A 33 -25.263 -2.947 -0.603 1.00 0.62 H new ATOM 0 HA ASP A 33 -23.223 -3.683 -2.579 1.00 0.65 H new ATOM 0 HB2 ASP A 33 -25.578 -4.402 -2.861 1.00 0.76 H new ATOM 0 HB3 ASP A 33 -26.105 -2.731 -2.814 1.00 0.76 H new ATOM 525 N LEU A 34 -22.687 -1.462 -3.594 1.00 0.57 N ATOM 526 CA LEU A 34 -22.126 -0.170 -3.971 1.00 0.57 C ATOM 527 C LEU A 34 -22.815 0.382 -5.211 1.00 0.64 C ATOM 528 O LEU A 34 -23.147 -0.368 -6.132 1.00 0.71 O ATOM 529 CB LEU A 34 -20.621 -0.284 -4.241 1.00 0.55 C ATOM 530 CG LEU A 34 -19.717 -0.359 -3.005 1.00 0.81 C ATOM 531 CD1 LEU A 34 -19.925 -1.653 -2.238 1.00 1.52 C ATOM 532 CD2 LEU A 34 -18.266 -0.219 -3.414 1.00 1.41 C ATOM 0 H LEU A 34 -22.330 -2.247 -4.138 1.00 0.57 H new ATOM 0 HA LEU A 34 -22.290 0.511 -3.136 1.00 0.57 H new ATOM 0 HB2 LEU A 34 -20.448 -1.173 -4.847 1.00 0.55 H new ATOM 0 HB3 LEU A 34 -20.314 0.574 -4.839 1.00 0.55 H new ATOM 0 HG LEU A 34 -19.986 0.464 -2.343 1.00 0.81 H new ATOM 0 HD11 LEU A 34 -19.268 -1.670 -1.369 1.00 1.52 H new ATOM 0 HD12 LEU A 34 -20.962 -1.719 -1.910 1.00 1.52 H new ATOM 0 HD13 LEU A 34 -19.695 -2.500 -2.884 1.00 1.52 H new ATOM 0 HD21 LEU A 34 -17.632 -0.274 -2.529 1.00 1.41 H new ATOM 0 HD22 LEU A 34 -18.002 -1.024 -4.100 1.00 1.41 H new ATOM 0 HD23 LEU A 34 -18.118 0.741 -3.908 1.00 1.41 H new ATOM 544 N SER A 35 -23.020 1.691 -5.231 1.00 0.75 N ATOM 545 CA SER A 35 -23.658 2.347 -6.363 1.00 0.89 C ATOM 546 C SER A 35 -22.612 2.833 -7.363 1.00 0.75 C ATOM 547 O SER A 35 -22.795 2.715 -8.573 1.00 0.92 O ATOM 548 CB SER A 35 -24.508 3.523 -5.881 1.00 1.14 C ATOM 549 OG SER A 35 -25.427 3.110 -4.884 1.00 1.55 O ATOM 0 H SER A 35 -22.753 2.321 -4.474 1.00 0.75 H new ATOM 0 HA SER A 35 -24.303 1.623 -6.861 1.00 0.89 H new ATOM 0 HB2 SER A 35 -23.861 4.305 -5.483 1.00 1.14 H new ATOM 0 HB3 SER A 35 -25.049 3.955 -6.723 1.00 1.14 H new ATOM 0 HG SER A 35 -25.121 3.422 -4.007 1.00 1.55 H new ATOM 555 N GLU A 36 -21.514 3.366 -6.841 1.00 0.61 N ATOM 556 CA GLU A 36 -20.441 3.894 -7.676 1.00 0.51 C ATOM 557 C GLU A 36 -19.265 2.923 -7.716 1.00 0.44 C ATOM 558 O GLU A 36 -19.362 1.791 -7.233 1.00 0.53 O ATOM 559 CB GLU A 36 -19.975 5.251 -7.140 1.00 0.63 C ATOM 560 CG GLU A 36 -20.991 6.369 -7.298 1.00 1.48 C ATOM 561 CD GLU A 36 -20.995 6.965 -8.688 1.00 2.16 C ATOM 562 OE1 GLU A 36 -19.987 7.587 -9.076 1.00 2.95 O ATOM 563 OE2 GLU A 36 -22.010 6.805 -9.401 1.00 2.46 O ATOM 0 H GLU A 36 -21.343 3.444 -5.839 1.00 0.61 H new ATOM 0 HA GLU A 36 -20.824 4.021 -8.688 1.00 0.51 H new ATOM 0 HB2 GLU A 36 -19.729 5.146 -6.083 1.00 0.63 H new ATOM 0 HB3 GLU A 36 -19.057 5.535 -7.654 1.00 0.63 H new ATOM 0 HG2 GLU A 36 -21.985 5.985 -7.069 1.00 1.48 H new ATOM 0 HG3 GLU A 36 -20.777 7.153 -6.572 1.00 1.48 H new ATOM 570 N ASP A 37 -18.162 3.377 -8.288 1.00 0.37 N ATOM 571 CA ASP A 37 -16.951 2.576 -8.375 1.00 0.36 C ATOM 572 C ASP A 37 -16.097 2.761 -7.125 1.00 0.35 C ATOM 573 O ASP A 37 -16.101 3.829 -6.509 1.00 0.50 O ATOM 574 CB ASP A 37 -16.151 2.946 -9.633 1.00 0.49 C ATOM 575 CG ASP A 37 -15.713 4.403 -9.669 1.00 0.92 C ATOM 576 OD1 ASP A 37 -16.566 5.287 -9.439 1.00 1.30 O ATOM 577 OD2 ASP A 37 -14.511 4.671 -9.889 1.00 1.88 O ATOM 0 H ASP A 37 -18.080 4.305 -8.703 1.00 0.37 H new ATOM 0 HA ASP A 37 -17.236 1.526 -8.444 1.00 0.36 H new ATOM 0 HB2 ASP A 37 -15.269 2.308 -9.693 1.00 0.49 H new ATOM 0 HB3 ASP A 37 -16.757 2.736 -10.514 1.00 0.49 H new ATOM 582 N LEU A 38 -15.383 1.711 -6.745 1.00 0.30 N ATOM 583 CA LEU A 38 -14.525 1.756 -5.570 1.00 0.31 C ATOM 584 C LEU A 38 -13.083 1.993 -5.999 1.00 0.28 C ATOM 585 O LEU A 38 -12.553 1.272 -6.851 1.00 0.29 O ATOM 586 CB LEU A 38 -14.639 0.441 -4.783 1.00 0.39 C ATOM 587 CG LEU A 38 -14.410 0.532 -3.264 1.00 0.42 C ATOM 588 CD1 LEU A 38 -12.989 0.961 -2.934 1.00 1.06 C ATOM 589 CD2 LEU A 38 -15.406 1.492 -2.633 1.00 1.32 C ATOM 0 H LEU A 38 -15.381 0.816 -7.234 1.00 0.30 H new ATOM 0 HA LEU A 38 -14.842 2.575 -4.924 1.00 0.31 H new ATOM 0 HB2 LEU A 38 -15.632 0.025 -4.955 1.00 0.39 H new ATOM 0 HB3 LEU A 38 -13.921 -0.268 -5.195 1.00 0.39 H new ATOM 0 HG LEU A 38 -14.562 -0.465 -2.850 1.00 0.42 H new ATOM 0 HD11 LEU A 38 -12.867 1.014 -1.852 1.00 1.06 H new ATOM 0 HD12 LEU A 38 -12.286 0.236 -3.344 1.00 1.06 H new ATOM 0 HD13 LEU A 38 -12.795 1.941 -3.369 1.00 1.06 H new ATOM 0 HD21 LEU A 38 -15.230 1.545 -1.559 1.00 1.32 H new ATOM 0 HD22 LEU A 38 -15.283 2.483 -3.070 1.00 1.32 H new ATOM 0 HD23 LEU A 38 -16.420 1.138 -2.818 1.00 1.32 H new ATOM 601 N GLU A 39 -12.458 3.001 -5.416 1.00 0.30 N ATOM 602 CA GLU A 39 -11.086 3.335 -5.742 1.00 0.32 C ATOM 603 C GLU A 39 -10.116 2.670 -4.775 1.00 0.31 C ATOM 604 O GLU A 39 -10.008 3.069 -3.616 1.00 0.43 O ATOM 605 CB GLU A 39 -10.888 4.851 -5.711 1.00 0.42 C ATOM 606 CG GLU A 39 -9.472 5.287 -6.052 1.00 0.50 C ATOM 607 CD GLU A 39 -9.236 6.764 -5.816 1.00 0.68 C ATOM 608 OE1 GLU A 39 -8.856 7.133 -4.684 1.00 0.73 O ATOM 609 OE2 GLU A 39 -9.407 7.559 -6.759 1.00 0.92 O ATOM 0 H GLU A 39 -12.883 3.604 -4.711 1.00 0.30 H new ATOM 0 HA GLU A 39 -10.880 2.965 -6.747 1.00 0.32 H new ATOM 0 HB2 GLU A 39 -11.581 5.314 -6.414 1.00 0.42 H new ATOM 0 HB3 GLU A 39 -11.145 5.222 -4.719 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -8.766 4.711 -5.453 1.00 0.50 H new ATOM 0 HG3 GLU A 39 -9.268 5.054 -7.097 1.00 0.50 H new ATOM 616 N TRP A 40 -9.438 1.641 -5.248 1.00 0.24 N ATOM 617 CA TRP A 40 -8.354 1.037 -4.496 1.00 0.23 C ATOM 618 C TRP A 40 -7.040 1.647 -4.951 1.00 0.24 C ATOM 619 O TRP A 40 -6.599 1.409 -6.069 1.00 0.28 O ATOM 620 CB TRP A 40 -8.330 -0.479 -4.712 1.00 0.24 C ATOM 621 CG TRP A 40 -9.538 -1.174 -4.170 1.00 0.23 C ATOM 622 CD1 TRP A 40 -10.757 -1.296 -4.772 1.00 0.26 C ATOM 623 CD2 TRP A 40 -9.639 -1.848 -2.913 1.00 0.26 C ATOM 624 NE1 TRP A 40 -11.615 -1.994 -3.957 1.00 0.27 N ATOM 625 CE2 TRP A 40 -10.950 -2.344 -2.811 1.00 0.25 C ATOM 626 CE3 TRP A 40 -8.746 -2.077 -1.864 1.00 0.36 C ATOM 627 CZ2 TRP A 40 -11.389 -3.054 -1.699 1.00 0.31 C ATOM 628 CZ3 TRP A 40 -9.184 -2.784 -0.762 1.00 0.43 C ATOM 629 CH2 TRP A 40 -10.494 -3.265 -0.685 1.00 0.40 C ATOM 0 H TRP A 40 -9.619 1.205 -6.152 1.00 0.24 H new ATOM 0 HA TRP A 40 -8.502 1.228 -3.433 1.00 0.23 H new ATOM 0 HB2 TRP A 40 -8.249 -0.685 -5.779 1.00 0.24 H new ATOM 0 HB3 TRP A 40 -7.439 -0.892 -4.239 1.00 0.24 H new ATOM 0 HD1 TRP A 40 -11.010 -0.902 -5.745 1.00 0.26 H new ATOM 0 HE1 TRP A 40 -12.588 -2.215 -4.170 1.00 0.27 H new ATOM 0 HE3 TRP A 40 -7.732 -1.708 -1.914 1.00 0.36 H new ATOM 0 HZ2 TRP A 40 -12.401 -3.426 -1.637 1.00 0.31 H new ATOM 0 HZ3 TRP A 40 -8.502 -2.969 0.055 1.00 0.43 H new ATOM 0 HH2 TRP A 40 -10.806 -3.814 0.191 1.00 0.40 H new ATOM 640 N LYS A 41 -6.414 2.440 -4.106 1.00 0.25 N ATOM 641 CA LYS A 41 -5.210 3.137 -4.513 1.00 0.25 C ATOM 642 C LYS A 41 -4.071 2.849 -3.548 1.00 0.23 C ATOM 643 O LYS A 41 -4.269 2.829 -2.332 1.00 0.27 O ATOM 644 CB LYS A 41 -5.467 4.645 -4.589 1.00 0.37 C ATOM 645 CG LYS A 41 -4.573 5.363 -5.587 1.00 0.63 C ATOM 646 CD LYS A 41 -4.658 6.867 -5.443 1.00 0.65 C ATOM 647 CE LYS A 41 -5.988 7.381 -5.951 1.00 1.03 C ATOM 648 NZ LYS A 41 -6.181 8.823 -5.659 1.00 1.23 N ATOM 0 H LYS A 41 -6.712 2.617 -3.147 1.00 0.25 H new ATOM 0 HA LYS A 41 -4.925 2.778 -5.502 1.00 0.25 H new ATOM 0 HB2 LYS A 41 -6.509 4.815 -4.859 1.00 0.37 H new ATOM 0 HB3 LYS A 41 -5.319 5.081 -3.601 1.00 0.37 H new ATOM 0 HG2 LYS A 41 -3.541 5.043 -5.445 1.00 0.63 H new ATOM 0 HG3 LYS A 41 -4.859 5.079 -6.600 1.00 0.63 H new ATOM 0 HD2 LYS A 41 -4.531 7.144 -4.397 1.00 0.65 H new ATOM 0 HD3 LYS A 41 -3.846 7.337 -5.998 1.00 0.65 H new ATOM 0 HE2 LYS A 41 -6.051 7.218 -7.027 1.00 1.03 H new ATOM 0 HE3 LYS A 41 -6.795 6.808 -5.494 1.00 1.03 H new ATOM 0 HZ1 LYS A 41 -7.105 9.131 -6.025 1.00 1.23 H new ATOM 0 HZ2 LYS A 41 -6.147 8.977 -4.631 1.00 1.23 H new ATOM 0 HZ3 LYS A 41 -5.427 9.374 -6.116 1.00 1.23 H new ATOM 662 N ILE A 42 -2.884 2.619 -4.093 1.00 0.22 N ATOM 663 CA ILE A 42 -1.699 2.427 -3.270 1.00 0.24 C ATOM 664 C ILE A 42 -0.832 3.674 -3.300 1.00 0.25 C ATOM 665 O ILE A 42 -0.211 3.997 -4.319 1.00 0.31 O ATOM 666 CB ILE A 42 -0.847 1.208 -3.705 1.00 0.29 C ATOM 667 CG1 ILE A 42 -1.601 -0.101 -3.444 1.00 0.33 C ATOM 668 CG2 ILE A 42 0.498 1.205 -2.985 1.00 0.37 C ATOM 669 CD1 ILE A 42 -0.718 -1.333 -3.490 1.00 0.46 C ATOM 0 H ILE A 42 -2.717 2.561 -5.098 1.00 0.22 H new ATOM 0 HA ILE A 42 -2.057 2.233 -2.259 1.00 0.24 H new ATOM 0 HB ILE A 42 -0.661 1.288 -4.776 1.00 0.29 H new ATOM 0 HG12 ILE A 42 -2.081 -0.045 -2.467 1.00 0.33 H new ATOM 0 HG13 ILE A 42 -2.395 -0.206 -4.183 1.00 0.33 H new ATOM 0 HG21 ILE A 42 1.080 0.341 -3.305 1.00 0.37 H new ATOM 0 HG22 ILE A 42 1.042 2.118 -3.226 1.00 0.37 H new ATOM 0 HG23 ILE A 42 0.334 1.154 -1.909 1.00 0.37 H new ATOM 0 HD11 ILE A 42 -1.321 -2.220 -3.296 1.00 0.46 H new ATOM 0 HD12 ILE A 42 -0.258 -1.415 -4.475 1.00 0.46 H new ATOM 0 HD13 ILE A 42 0.061 -1.251 -2.732 1.00 0.46 H new ATOM 681 N ILE A 43 -0.811 4.373 -2.180 1.00 0.24 N ATOM 682 CA ILE A 43 0.019 5.548 -2.025 1.00 0.27 C ATOM 683 C ILE A 43 1.223 5.203 -1.167 1.00 0.26 C ATOM 684 O ILE A 43 1.094 4.937 0.027 1.00 0.30 O ATOM 685 CB ILE A 43 -0.746 6.733 -1.392 1.00 0.31 C ATOM 686 CG1 ILE A 43 -1.871 7.195 -2.317 1.00 0.37 C ATOM 687 CG2 ILE A 43 0.196 7.891 -1.091 1.00 0.39 C ATOM 688 CD1 ILE A 43 -3.157 6.418 -2.156 1.00 0.69 C ATOM 0 H ILE A 43 -1.367 4.142 -1.357 1.00 0.24 H new ATOM 0 HA ILE A 43 0.335 5.861 -3.020 1.00 0.27 H new ATOM 0 HB ILE A 43 -1.180 6.392 -0.452 1.00 0.31 H new ATOM 0 HG12 ILE A 43 -2.070 8.250 -2.131 1.00 0.37 H new ATOM 0 HG13 ILE A 43 -1.535 7.112 -3.351 1.00 0.37 H new ATOM 0 HG21 ILE A 43 -0.367 8.712 -0.646 1.00 0.39 H new ATOM 0 HG22 ILE A 43 0.967 7.561 -0.395 1.00 0.39 H new ATOM 0 HG23 ILE A 43 0.663 8.230 -2.016 1.00 0.39 H new ATOM 0 HD11 ILE A 43 -3.906 6.806 -2.847 1.00 0.69 H new ATOM 0 HD12 ILE A 43 -2.975 5.365 -2.372 1.00 0.69 H new ATOM 0 HD13 ILE A 43 -3.519 6.522 -1.133 1.00 0.69 H new ATOM 700 N TYR A 44 2.383 5.171 -1.785 1.00 0.29 N ATOM 701 CA TYR A 44 3.606 4.880 -1.070 1.00 0.29 C ATOM 702 C TYR A 44 4.283 6.180 -0.689 1.00 0.28 C ATOM 703 O TYR A 44 4.437 7.074 -1.524 1.00 0.33 O ATOM 704 CB TYR A 44 4.537 4.013 -1.925 1.00 0.32 C ATOM 705 CG TYR A 44 5.806 3.579 -1.218 1.00 0.34 C ATOM 706 CD1 TYR A 44 5.804 2.528 -0.308 1.00 0.42 C ATOM 707 CD2 TYR A 44 7.009 4.229 -1.461 1.00 0.38 C ATOM 708 CE1 TYR A 44 6.966 2.137 0.335 1.00 0.50 C ATOM 709 CE2 TYR A 44 8.174 3.845 -0.825 1.00 0.45 C ATOM 710 CZ TYR A 44 8.127 2.766 0.092 1.00 0.49 C ATOM 711 OH TYR A 44 9.310 2.412 0.706 1.00 0.59 O ATOM 0 H TYR A 44 2.505 5.343 -2.783 1.00 0.29 H new ATOM 0 HA TYR A 44 3.370 4.321 -0.164 1.00 0.29 H new ATOM 0 HB2 TYR A 44 3.993 3.126 -2.248 1.00 0.32 H new ATOM 0 HB3 TYR A 44 4.807 4.567 -2.824 1.00 0.32 H new ATOM 0 HD1 TYR A 44 4.881 2.008 -0.099 1.00 0.42 H new ATOM 0 HD2 TYR A 44 7.034 5.051 -2.161 1.00 0.38 H new ATOM 0 HE1 TYR A 44 6.938 1.318 1.039 1.00 0.50 H new ATOM 0 HE2 TYR A 44 9.103 4.358 -1.023 1.00 0.45 H new ATOM 0 HH TYR A 44 9.812 3.221 0.939 1.00 0.59 H new ATOM 721 N VAL A 45 4.645 6.297 0.578 1.00 0.27 N ATOM 722 CA VAL A 45 5.372 7.460 1.051 1.00 0.28 C ATOM 723 C VAL A 45 6.663 7.596 0.256 1.00 0.30 C ATOM 724 O VAL A 45 7.508 6.708 0.293 1.00 0.36 O ATOM 725 CB VAL A 45 5.714 7.346 2.553 1.00 0.32 C ATOM 726 CG1 VAL A 45 6.392 8.608 3.058 1.00 0.37 C ATOM 727 CG2 VAL A 45 4.474 7.040 3.377 1.00 0.34 C ATOM 0 H VAL A 45 4.447 5.600 1.296 1.00 0.27 H new ATOM 0 HA VAL A 45 4.738 8.336 0.913 1.00 0.28 H new ATOM 0 HB VAL A 45 6.411 6.516 2.668 1.00 0.32 H new ATOM 0 HG11 VAL A 45 6.621 8.499 4.118 1.00 0.37 H new ATOM 0 HG12 VAL A 45 7.315 8.772 2.502 1.00 0.37 H new ATOM 0 HG13 VAL A 45 5.727 9.460 2.916 1.00 0.37 H new ATOM 0 HG21 VAL A 45 4.746 6.966 4.430 1.00 0.34 H new ATOM 0 HG22 VAL A 45 3.744 7.839 3.246 1.00 0.34 H new ATOM 0 HG23 VAL A 45 4.041 6.096 3.046 1.00 0.34 H new ATOM 737 N GLY A 46 6.790 8.678 -0.497 1.00 0.32 N ATOM 738 CA GLY A 46 7.983 8.885 -1.285 1.00 0.39 C ATOM 739 C GLY A 46 9.206 9.034 -0.415 1.00 0.41 C ATOM 740 O GLY A 46 10.196 8.336 -0.600 1.00 0.47 O ATOM 0 H GLY A 46 6.089 9.414 -0.575 1.00 0.32 H new ATOM 0 HA2 GLY A 46 8.120 8.045 -1.965 1.00 0.39 H new ATOM 0 HA3 GLY A 46 7.863 9.777 -1.900 1.00 0.39 H new ATOM 744 N SER A 47 9.129 9.936 0.548 1.00 0.43 N ATOM 745 CA SER A 47 10.239 10.191 1.436 1.00 0.48 C ATOM 746 C SER A 47 9.778 10.242 2.885 1.00 0.51 C ATOM 747 O SER A 47 8.761 10.853 3.190 1.00 0.49 O ATOM 748 CB SER A 47 10.885 11.526 1.070 1.00 0.53 C ATOM 749 OG SER A 47 11.332 11.538 -0.273 1.00 1.23 O ATOM 0 H SER A 47 8.302 10.505 0.732 1.00 0.43 H new ATOM 0 HA SER A 47 10.959 9.380 1.327 1.00 0.48 H new ATOM 0 HB2 SER A 47 10.167 12.332 1.222 1.00 0.53 H new ATOM 0 HB3 SER A 47 11.726 11.718 1.736 1.00 0.53 H new ATOM 0 HG SER A 47 10.691 11.054 -0.835 1.00 1.23 H new ATOM 755 N ALA A 48 10.512 9.587 3.771 1.00 0.62 N ATOM 756 CA ALA A 48 10.335 9.819 5.195 1.00 0.70 C ATOM 757 C ALA A 48 10.974 11.155 5.560 1.00 0.75 C ATOM 758 O ALA A 48 10.657 11.758 6.587 1.00 0.82 O ATOM 759 CB ALA A 48 10.938 8.689 6.012 1.00 0.81 C ATOM 0 H ALA A 48 11.227 8.899 3.533 1.00 0.62 H new ATOM 0 HA ALA A 48 9.270 9.850 5.425 1.00 0.70 H new ATOM 0 HB1 ALA A 48 10.791 8.889 7.073 1.00 0.81 H new ATOM 0 HB2 ALA A 48 10.451 7.750 5.749 1.00 0.81 H new ATOM 0 HB3 ALA A 48 12.005 8.616 5.801 1.00 0.81 H new ATOM 765 N GLU A 49 11.880 11.603 4.686 1.00 0.75 N ATOM 766 CA GLU A 49 12.532 12.900 4.820 1.00 0.83 C ATOM 767 C GLU A 49 11.505 14.007 4.623 1.00 0.82 C ATOM 768 O GLU A 49 11.391 14.925 5.436 1.00 0.93 O ATOM 769 CB GLU A 49 13.642 13.016 3.771 1.00 0.90 C ATOM 770 CG GLU A 49 14.405 14.328 3.808 1.00 1.06 C ATOM 771 CD GLU A 49 15.430 14.422 2.699 1.00 1.48 C ATOM 772 OE1 GLU A 49 16.380 13.609 2.700 1.00 1.99 O ATOM 773 OE2 GLU A 49 15.293 15.304 1.824 1.00 1.96 O ATOM 0 H GLU A 49 12.179 11.073 3.867 1.00 0.75 H new ATOM 0 HA GLU A 49 12.968 12.995 5.815 1.00 0.83 H new ATOM 0 HB2 GLU A 49 14.346 12.196 3.913 1.00 0.90 H new ATOM 0 HB3 GLU A 49 13.204 12.892 2.781 1.00 0.90 H new ATOM 0 HG2 GLU A 49 13.703 15.158 3.723 1.00 1.06 H new ATOM 0 HG3 GLU A 49 14.904 14.430 4.772 1.00 1.06 H new ATOM 780 N SER A 50 10.758 13.895 3.536 1.00 0.74 N ATOM 781 CA SER A 50 9.624 14.756 3.283 1.00 0.79 C ATOM 782 C SER A 50 8.467 13.900 2.809 1.00 0.75 C ATOM 783 O SER A 50 8.444 13.423 1.672 1.00 1.26 O ATOM 784 CB SER A 50 9.963 15.835 2.255 1.00 0.96 C ATOM 785 OG SER A 50 8.836 16.650 1.975 1.00 1.72 O ATOM 0 H SER A 50 10.925 13.202 2.806 1.00 0.74 H new ATOM 0 HA SER A 50 9.349 15.272 4.203 1.00 0.79 H new ATOM 0 HB2 SER A 50 10.779 16.454 2.629 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.314 15.367 1.335 1.00 0.96 H new ATOM 0 HG SER A 50 9.081 17.332 1.316 1.00 1.72 H new ATOM 791 N GLU A 51 7.520 13.688 3.700 1.00 0.78 N ATOM 792 CA GLU A 51 6.418 12.773 3.455 1.00 0.71 C ATOM 793 C GLU A 51 5.478 13.316 2.384 1.00 0.74 C ATOM 794 O GLU A 51 4.579 12.618 1.920 1.00 0.80 O ATOM 795 CB GLU A 51 5.668 12.529 4.762 1.00 0.85 C ATOM 796 CG GLU A 51 6.561 11.978 5.862 1.00 1.46 C ATOM 797 CD GLU A 51 6.069 12.339 7.247 1.00 1.68 C ATOM 798 OE1 GLU A 51 5.190 11.622 7.770 1.00 2.09 O ATOM 799 OE2 GLU A 51 6.554 13.337 7.818 1.00 2.02 O ATOM 0 H GLU A 51 7.490 14.143 4.613 1.00 0.78 H new ATOM 0 HA GLU A 51 6.818 11.828 3.086 1.00 0.71 H new ATOM 0 HB2 GLU A 51 5.221 13.464 5.098 1.00 0.85 H new ATOM 0 HB3 GLU A 51 4.850 11.831 4.581 1.00 0.85 H new ATOM 0 HG2 GLU A 51 6.616 10.893 5.771 1.00 1.46 H new ATOM 0 HG3 GLU A 51 7.573 12.360 5.729 1.00 1.46 H new ATOM 806 N GLU A 52 5.720 14.554 1.970 1.00 0.78 N ATOM 807 CA GLU A 52 4.910 15.195 0.949 1.00 0.89 C ATOM 808 C GLU A 52 5.334 14.713 -0.442 1.00 0.78 C ATOM 809 O GLU A 52 4.751 15.099 -1.452 1.00 0.85 O ATOM 810 CB GLU A 52 5.035 16.718 1.068 1.00 1.09 C ATOM 811 CG GLU A 52 4.016 17.489 0.242 1.00 1.70 C ATOM 812 CD GLU A 52 2.590 17.037 0.498 1.00 2.16 C ATOM 813 OE1 GLU A 52 2.221 16.843 1.678 1.00 2.83 O ATOM 814 OE2 GLU A 52 1.824 16.891 -0.476 1.00 2.43 O ATOM 0 H GLU A 52 6.477 15.135 2.331 1.00 0.78 H new ATOM 0 HA GLU A 52 3.864 14.924 1.094 1.00 0.89 H new ATOM 0 HB2 GLU A 52 4.927 17.000 2.115 1.00 1.09 H new ATOM 0 HB3 GLU A 52 6.037 17.015 0.759 1.00 1.09 H new ATOM 0 HG2 GLU A 52 4.102 18.552 0.467 1.00 1.70 H new ATOM 0 HG3 GLU A 52 4.246 17.368 -0.816 1.00 1.70 H new ATOM 821 N TYR A 53 6.353 13.859 -0.487 1.00 0.65 N ATOM 822 CA TYR A 53 6.776 13.240 -1.737 1.00 0.61 C ATOM 823 C TYR A 53 6.018 11.937 -1.958 1.00 0.52 C ATOM 824 O TYR A 53 6.445 11.086 -2.738 1.00 0.52 O ATOM 825 CB TYR A 53 8.284 12.967 -1.736 1.00 0.62 C ATOM 826 CG TYR A 53 9.146 14.211 -1.754 1.00 0.82 C ATOM 827 CD1 TYR A 53 8.848 15.261 -2.608 1.00 1.23 C ATOM 828 CD2 TYR A 53 10.239 14.344 -0.908 1.00 0.83 C ATOM 829 CE1 TYR A 53 9.613 16.408 -2.627 1.00 1.44 C ATOM 830 CE2 TYR A 53 11.012 15.490 -0.918 1.00 1.01 C ATOM 831 CZ TYR A 53 10.762 16.474 -1.791 1.00 1.25 C ATOM 832 OH TYR A 53 11.463 17.663 -1.795 1.00 1.48 O ATOM 0 H TYR A 53 6.900 13.581 0.328 1.00 0.65 H new ATOM 0 HA TYR A 53 6.553 13.933 -2.548 1.00 0.61 H new ATOM 0 HB2 TYR A 53 8.534 12.380 -0.852 1.00 0.62 H new ATOM 0 HB3 TYR A 53 8.531 12.356 -2.605 1.00 0.62 H new ATOM 0 HD1 TYR A 53 8.000 15.179 -3.272 1.00 1.23 H new ATOM 0 HD2 TYR A 53 10.489 13.540 -0.232 1.00 0.83 H new ATOM 0 HE1 TYR A 53 9.345 17.239 -3.263 1.00 1.44 H new ATOM 0 HE2 TYR A 53 11.825 15.593 -0.215 1.00 1.01 H new ATOM 0 HH TYR A 53 12.228 17.594 -1.186 1.00 1.48 H new ATOM 842 N ASP A 54 4.896 11.791 -1.257 1.00 0.52 N ATOM 843 CA ASP A 54 4.050 10.606 -1.375 1.00 0.52 C ATOM 844 C ASP A 54 3.581 10.433 -2.815 1.00 0.57 C ATOM 845 O ASP A 54 3.271 11.406 -3.503 1.00 0.68 O ATOM 846 CB ASP A 54 2.849 10.703 -0.423 1.00 0.65 C ATOM 847 CG ASP A 54 1.937 11.878 -0.730 1.00 0.88 C ATOM 848 OD1 ASP A 54 2.343 13.030 -0.488 1.00 1.22 O ATOM 849 OD2 ASP A 54 0.811 11.652 -1.222 1.00 1.22 O ATOM 0 H ASP A 54 4.549 12.486 -0.595 1.00 0.52 H new ATOM 0 HA ASP A 54 4.637 9.731 -1.095 1.00 0.52 H new ATOM 0 HB2 ASP A 54 2.273 9.779 -0.480 1.00 0.65 H new ATOM 0 HB3 ASP A 54 3.211 10.790 0.601 1.00 0.65 H new ATOM 854 N GLN A 55 3.546 9.192 -3.273 1.00 0.54 N ATOM 855 CA GLN A 55 3.265 8.915 -4.671 1.00 0.60 C ATOM 856 C GLN A 55 2.226 7.811 -4.831 1.00 0.46 C ATOM 857 O GLN A 55 1.947 7.057 -3.899 1.00 0.57 O ATOM 858 CB GLN A 55 4.554 8.513 -5.388 1.00 0.78 C ATOM 859 CG GLN A 55 5.179 7.246 -4.834 1.00 0.87 C ATOM 860 CD GLN A 55 6.417 6.829 -5.592 1.00 0.88 C ATOM 861 OE1 GLN A 55 6.331 6.104 -6.579 1.00 1.85 O ATOM 862 NE2 GLN A 55 7.576 7.279 -5.134 1.00 0.81 N ATOM 0 H GLN A 55 3.708 8.364 -2.699 1.00 0.54 H new ATOM 0 HA GLN A 55 2.860 9.824 -5.115 1.00 0.60 H new ATOM 0 HB2 GLN A 55 4.343 8.372 -6.448 1.00 0.78 H new ATOM 0 HB3 GLN A 55 5.273 9.328 -5.312 1.00 0.78 H new ATOM 0 HG2 GLN A 55 5.434 7.400 -3.785 1.00 0.87 H new ATOM 0 HG3 GLN A 55 4.447 6.439 -4.869 1.00 0.87 H new ATOM 0 HE21 GLN A 55 7.600 7.880 -4.310 1.00 0.81 H new ATOM 0 HE22 GLN A 55 8.444 7.025 -5.606 1.00 0.81 H new ATOM 871 N VAL A 56 1.690 7.709 -6.035 1.00 0.41 N ATOM 872 CA VAL A 56 0.672 6.724 -6.362 1.00 0.37 C ATOM 873 C VAL A 56 1.221 5.722 -7.368 1.00 0.36 C ATOM 874 O VAL A 56 1.501 6.069 -8.516 1.00 0.44 O ATOM 875 CB VAL A 56 -0.593 7.387 -6.947 1.00 0.50 C ATOM 876 CG1 VAL A 56 -1.628 6.334 -7.313 1.00 0.80 C ATOM 877 CG2 VAL A 56 -1.174 8.398 -5.969 1.00 1.08 C ATOM 0 H VAL A 56 1.950 8.310 -6.817 1.00 0.41 H new ATOM 0 HA VAL A 56 0.398 6.215 -5.438 1.00 0.37 H new ATOM 0 HB VAL A 56 -0.311 7.919 -7.855 1.00 0.50 H new ATOM 0 HG11 VAL A 56 -2.513 6.821 -7.724 1.00 0.80 H new ATOM 0 HG12 VAL A 56 -1.209 5.655 -8.056 1.00 0.80 H new ATOM 0 HG13 VAL A 56 -1.905 5.771 -6.422 1.00 0.80 H new ATOM 0 HG21 VAL A 56 -2.065 8.853 -6.402 1.00 1.08 H new ATOM 0 HG22 VAL A 56 -1.439 7.894 -5.040 1.00 1.08 H new ATOM 0 HG23 VAL A 56 -0.435 9.172 -5.764 1.00 1.08 H new ATOM 887 N LEU A 57 1.387 4.483 -6.931 1.00 0.34 N ATOM 888 CA LEU A 57 1.938 3.438 -7.781 1.00 0.39 C ATOM 889 C LEU A 57 0.890 2.915 -8.752 1.00 0.36 C ATOM 890 O LEU A 57 1.097 2.909 -9.968 1.00 0.48 O ATOM 891 CB LEU A 57 2.478 2.281 -6.934 1.00 0.44 C ATOM 892 CG LEU A 57 3.794 2.546 -6.202 1.00 0.55 C ATOM 893 CD1 LEU A 57 3.643 3.649 -5.173 1.00 1.05 C ATOM 894 CD2 LEU A 57 4.291 1.272 -5.542 1.00 0.77 C ATOM 0 H LEU A 57 1.147 4.175 -5.989 1.00 0.34 H new ATOM 0 HA LEU A 57 2.757 3.874 -8.352 1.00 0.39 H new ATOM 0 HB2 LEU A 57 1.722 2.013 -6.196 1.00 0.44 H new ATOM 0 HB3 LEU A 57 2.613 1.415 -7.581 1.00 0.44 H new ATOM 0 HG LEU A 57 4.528 2.876 -6.938 1.00 0.55 H new ATOM 0 HD11 LEU A 57 4.597 3.812 -4.671 1.00 1.05 H new ATOM 0 HD12 LEU A 57 3.332 4.569 -5.668 1.00 1.05 H new ATOM 0 HD13 LEU A 57 2.891 3.361 -4.438 1.00 1.05 H new ATOM 0 HD21 LEU A 57 5.229 1.473 -5.024 1.00 0.77 H new ATOM 0 HD22 LEU A 57 3.549 0.920 -4.826 1.00 0.77 H new ATOM 0 HD23 LEU A 57 4.453 0.508 -6.302 1.00 0.77 H new ATOM 906 N ASP A 58 -0.238 2.483 -8.211 1.00 0.31 N ATOM 907 CA ASP A 58 -1.299 1.900 -9.019 1.00 0.35 C ATOM 908 C ASP A 58 -2.651 2.139 -8.357 1.00 0.33 C ATOM 909 O ASP A 58 -2.719 2.452 -7.164 1.00 0.33 O ATOM 910 CB ASP A 58 -1.053 0.399 -9.214 1.00 0.43 C ATOM 911 CG ASP A 58 -2.027 -0.236 -10.187 1.00 0.71 C ATOM 912 OD1 ASP A 58 -1.888 -0.008 -11.405 1.00 0.92 O ATOM 913 OD2 ASP A 58 -2.931 -0.967 -9.743 1.00 1.31 O ATOM 0 H ASP A 58 -0.443 2.525 -7.213 1.00 0.31 H new ATOM 0 HA ASP A 58 -1.302 2.379 -9.998 1.00 0.35 H new ATOM 0 HB2 ASP A 58 -0.036 0.246 -9.574 1.00 0.43 H new ATOM 0 HB3 ASP A 58 -1.129 -0.105 -8.250 1.00 0.43 H new ATOM 918 N SER A 59 -3.714 2.009 -9.134 1.00 0.42 N ATOM 919 CA SER A 59 -5.058 2.236 -8.643 1.00 0.43 C ATOM 920 C SER A 59 -6.047 1.330 -9.370 1.00 0.46 C ATOM 921 O SER A 59 -6.194 1.407 -10.592 1.00 0.58 O ATOM 922 CB SER A 59 -5.429 3.711 -8.824 1.00 0.52 C ATOM 923 OG SER A 59 -5.097 4.162 -10.129 1.00 1.09 O ATOM 0 H SER A 59 -3.667 1.744 -10.118 1.00 0.42 H new ATOM 0 HA SER A 59 -5.100 1.994 -7.581 1.00 0.43 H new ATOM 0 HB2 SER A 59 -6.496 3.845 -8.649 1.00 0.52 H new ATOM 0 HB3 SER A 59 -4.906 4.315 -8.082 1.00 0.52 H new ATOM 0 HG SER A 59 -5.344 3.477 -10.785 1.00 1.09 H new ATOM 929 N VAL A 60 -6.709 0.471 -8.612 1.00 0.39 N ATOM 930 CA VAL A 60 -7.647 -0.491 -9.163 1.00 0.45 C ATOM 931 C VAL A 60 -9.082 -0.025 -8.931 1.00 0.38 C ATOM 932 O VAL A 60 -9.548 0.056 -7.793 1.00 0.39 O ATOM 933 CB VAL A 60 -7.443 -1.888 -8.533 1.00 0.54 C ATOM 934 CG1 VAL A 60 -8.365 -2.919 -9.164 1.00 1.22 C ATOM 935 CG2 VAL A 60 -5.992 -2.328 -8.660 1.00 1.11 C ATOM 0 H VAL A 60 -6.611 0.422 -7.598 1.00 0.39 H new ATOM 0 HA VAL A 60 -7.462 -0.564 -10.235 1.00 0.45 H new ATOM 0 HB VAL A 60 -7.694 -1.814 -7.475 1.00 0.54 H new ATOM 0 HG11 VAL A 60 -8.197 -3.890 -8.699 1.00 1.22 H new ATOM 0 HG12 VAL A 60 -9.402 -2.620 -9.014 1.00 1.22 H new ATOM 0 HG13 VAL A 60 -8.158 -2.987 -10.232 1.00 1.22 H new ATOM 0 HG21 VAL A 60 -5.870 -3.313 -8.210 1.00 1.11 H new ATOM 0 HG22 VAL A 60 -5.716 -2.373 -9.714 1.00 1.11 H new ATOM 0 HG23 VAL A 60 -5.349 -1.613 -8.147 1.00 1.11 H new ATOM 945 N LEU A 61 -9.764 0.306 -10.014 1.00 0.40 N ATOM 946 CA LEU A 61 -11.140 0.776 -9.942 1.00 0.39 C ATOM 947 C LEU A 61 -12.103 -0.353 -10.272 1.00 0.38 C ATOM 948 O LEU A 61 -12.142 -0.817 -11.411 1.00 0.57 O ATOM 949 CB LEU A 61 -11.383 1.932 -10.929 1.00 0.51 C ATOM 950 CG LEU A 61 -10.713 3.275 -10.604 1.00 0.62 C ATOM 951 CD1 LEU A 61 -11.032 3.705 -9.186 1.00 1.31 C ATOM 952 CD2 LEU A 61 -9.209 3.214 -10.826 1.00 1.34 C ATOM 0 H LEU A 61 -9.386 0.258 -10.960 1.00 0.40 H new ATOM 0 HA LEU A 61 -11.312 1.128 -8.925 1.00 0.39 H new ATOM 0 HB2 LEU A 61 -11.044 1.613 -11.915 1.00 0.51 H new ATOM 0 HB3 LEU A 61 -12.458 2.097 -11.000 1.00 0.51 H new ATOM 0 HG LEU A 61 -11.117 4.021 -11.288 1.00 0.62 H new ATOM 0 HD11 LEU A 61 -10.547 4.659 -8.977 1.00 1.31 H new ATOM 0 HD12 LEU A 61 -12.111 3.814 -9.073 1.00 1.31 H new ATOM 0 HD13 LEU A 61 -10.668 2.952 -8.487 1.00 1.31 H new ATOM 0 HD21 LEU A 61 -8.766 4.181 -10.587 1.00 1.34 H new ATOM 0 HD22 LEU A 61 -8.777 2.448 -10.182 1.00 1.34 H new ATOM 0 HD23 LEU A 61 -9.005 2.970 -11.868 1.00 1.34 H new ATOM 964 N VAL A 62 -12.873 -0.809 -9.290 1.00 0.27 N ATOM 965 CA VAL A 62 -13.906 -1.795 -9.579 1.00 0.27 C ATOM 966 C VAL A 62 -15.282 -1.142 -9.475 1.00 0.26 C ATOM 967 O VAL A 62 -15.778 -0.863 -8.385 1.00 0.30 O ATOM 968 CB VAL A 62 -13.832 -3.005 -8.613 1.00 0.34 C ATOM 969 CG1 VAL A 62 -14.837 -4.077 -9.010 1.00 0.72 C ATOM 970 CG2 VAL A 62 -12.419 -3.581 -8.573 1.00 0.59 C ATOM 0 H VAL A 62 -12.806 -0.522 -8.314 1.00 0.27 H new ATOM 0 HA VAL A 62 -13.741 -2.164 -10.592 1.00 0.27 H new ATOM 0 HB VAL A 62 -14.086 -2.654 -7.613 1.00 0.34 H new ATOM 0 HG11 VAL A 62 -14.767 -4.916 -8.318 1.00 0.72 H new ATOM 0 HG12 VAL A 62 -15.844 -3.662 -8.976 1.00 0.72 H new ATOM 0 HG13 VAL A 62 -14.621 -4.422 -10.021 1.00 0.72 H new ATOM 0 HG21 VAL A 62 -12.391 -4.429 -7.889 1.00 0.59 H new ATOM 0 HG22 VAL A 62 -12.132 -3.911 -9.572 1.00 0.59 H new ATOM 0 HG23 VAL A 62 -11.723 -2.815 -8.230 1.00 0.59 H new ATOM 980 N GLY A 63 -15.847 -0.838 -10.631 1.00 0.28 N ATOM 981 CA GLY A 63 -17.183 -0.295 -10.712 1.00 0.33 C ATOM 982 C GLY A 63 -18.190 -1.312 -11.240 1.00 0.36 C ATOM 983 O GLY A 63 -18.047 -1.746 -12.382 1.00 0.42 O ATOM 0 H GLY A 63 -15.390 -0.962 -11.535 1.00 0.28 H new ATOM 0 HA2 GLY A 63 -17.496 0.044 -9.724 1.00 0.33 H new ATOM 0 HA3 GLY A 63 -17.178 0.580 -11.362 1.00 0.33 H new ATOM 987 N PRO A 64 -19.205 -1.739 -10.475 1.00 0.39 N ATOM 988 CA PRO A 64 -19.339 -1.545 -9.046 1.00 0.39 C ATOM 989 C PRO A 64 -18.968 -2.823 -8.300 1.00 0.38 C ATOM 990 O PRO A 64 -18.830 -3.885 -8.908 1.00 0.41 O ATOM 991 CB PRO A 64 -20.833 -1.249 -8.901 1.00 0.48 C ATOM 992 CG PRO A 64 -21.492 -1.904 -10.084 1.00 0.55 C ATOM 993 CD PRO A 64 -20.394 -2.424 -10.985 1.00 0.48 C ATOM 0 HA PRO A 64 -18.696 -0.764 -8.641 1.00 0.39 H new ATOM 0 HB2 PRO A 64 -21.223 -1.648 -7.965 1.00 0.48 H new ATOM 0 HB3 PRO A 64 -21.021 -0.175 -8.892 1.00 0.48 H new ATOM 0 HG2 PRO A 64 -22.140 -2.718 -9.760 1.00 0.55 H new ATOM 0 HG3 PRO A 64 -22.120 -1.190 -10.617 1.00 0.55 H new ATOM 0 HD2 PRO A 64 -20.296 -3.508 -10.919 1.00 0.48 H new ATOM 0 HD3 PRO A 64 -20.582 -2.184 -12.032 1.00 0.48 H new ATOM 1001 N VAL A 65 -18.786 -2.733 -6.999 1.00 0.39 N ATOM 1002 CA VAL A 65 -18.418 -3.909 -6.227 1.00 0.40 C ATOM 1003 C VAL A 65 -19.596 -4.383 -5.378 1.00 0.41 C ATOM 1004 O VAL A 65 -19.858 -3.838 -4.309 1.00 0.48 O ATOM 1005 CB VAL A 65 -17.197 -3.644 -5.325 1.00 0.47 C ATOM 1006 CG1 VAL A 65 -16.316 -4.878 -5.267 1.00 0.81 C ATOM 1007 CG2 VAL A 65 -16.406 -2.441 -5.816 1.00 0.95 C ATOM 0 H VAL A 65 -18.884 -1.874 -6.458 1.00 0.39 H new ATOM 0 HA VAL A 65 -18.148 -4.690 -6.938 1.00 0.40 H new ATOM 0 HB VAL A 65 -17.553 -3.419 -4.320 1.00 0.47 H new ATOM 0 HG11 VAL A 65 -15.456 -4.681 -4.627 1.00 0.81 H new ATOM 0 HG12 VAL A 65 -16.886 -5.714 -4.861 1.00 0.81 H new ATOM 0 HG13 VAL A 65 -15.972 -5.127 -6.271 1.00 0.81 H new ATOM 0 HG21 VAL A 65 -15.550 -2.277 -5.161 1.00 0.95 H new ATOM 0 HG22 VAL A 65 -16.056 -2.626 -6.832 1.00 0.95 H new ATOM 0 HG23 VAL A 65 -17.044 -1.558 -5.807 1.00 0.95 H new ATOM 1017 N PRO A 66 -20.329 -5.402 -5.855 1.00 0.43 N ATOM 1018 CA PRO A 66 -21.541 -5.895 -5.191 1.00 0.48 C ATOM 1019 C PRO A 66 -21.255 -6.623 -3.887 1.00 0.39 C ATOM 1020 O PRO A 66 -20.128 -7.065 -3.642 1.00 0.33 O ATOM 1021 CB PRO A 66 -22.159 -6.863 -6.211 1.00 0.59 C ATOM 1022 CG PRO A 66 -21.407 -6.644 -7.482 1.00 0.70 C ATOM 1023 CD PRO A 66 -20.047 -6.154 -7.082 1.00 0.46 C ATOM 0 HA PRO A 66 -22.195 -5.068 -4.914 1.00 0.48 H new ATOM 0 HB2 PRO A 66 -22.068 -7.896 -5.875 1.00 0.59 H new ATOM 0 HB3 PRO A 66 -23.222 -6.664 -6.346 1.00 0.59 H new ATOM 0 HG2 PRO A 66 -21.335 -7.568 -8.056 1.00 0.70 H new ATOM 0 HG3 PRO A 66 -21.914 -5.915 -8.114 1.00 0.70 H new ATOM 0 HD2 PRO A 66 -19.355 -6.977 -6.903 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -19.600 -5.523 -7.851 1.00 0.46 H new ATOM 1031 N ALA A 67 -22.295 -6.743 -3.067 1.00 0.41 N ATOM 1032 CA ALA A 67 -22.209 -7.400 -1.770 1.00 0.36 C ATOM 1033 C ALA A 67 -21.567 -8.780 -1.876 1.00 0.34 C ATOM 1034 O ALA A 67 -21.921 -9.583 -2.741 1.00 0.39 O ATOM 1035 CB ALA A 67 -23.591 -7.511 -1.145 1.00 0.40 C ATOM 0 H ALA A 67 -23.225 -6.385 -3.286 1.00 0.41 H new ATOM 0 HA ALA A 67 -21.573 -6.788 -1.131 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -23.514 -8.004 -0.176 1.00 0.40 H new ATOM 0 HB2 ALA A 67 -24.012 -6.514 -1.013 1.00 0.40 H new ATOM 0 HB3 ALA A 67 -24.240 -8.095 -1.798 1.00 0.40 H new ATOM 1041 N GLY A 68 -20.612 -9.031 -1.001 1.00 0.32 N ATOM 1042 CA GLY A 68 -19.925 -10.303 -0.978 1.00 0.33 C ATOM 1043 C GLY A 68 -18.454 -10.130 -0.677 1.00 0.27 C ATOM 1044 O GLY A 68 -17.880 -9.080 -0.962 1.00 0.26 O ATOM 0 H GLY A 68 -20.295 -8.366 -0.295 1.00 0.32 H new ATOM 0 HA2 GLY A 68 -20.378 -10.949 -0.226 1.00 0.33 H new ATOM 0 HA3 GLY A 68 -20.045 -10.800 -1.940 1.00 0.33 H new ATOM 1048 N ARG A 69 -17.846 -11.139 -0.084 1.00 0.28 N ATOM 1049 CA ARG A 69 -16.430 -11.087 0.232 1.00 0.26 C ATOM 1050 C ARG A 69 -15.607 -11.373 -1.021 1.00 0.26 C ATOM 1051 O ARG A 69 -15.614 -12.488 -1.545 1.00 0.37 O ATOM 1052 CB ARG A 69 -16.091 -12.085 1.331 1.00 0.32 C ATOM 1053 CG ARG A 69 -14.759 -11.822 2.012 1.00 0.39 C ATOM 1054 CD ARG A 69 -14.340 -13.007 2.863 1.00 0.48 C ATOM 1055 NE ARG A 69 -14.211 -14.229 2.070 1.00 1.24 N ATOM 1056 CZ ARG A 69 -13.490 -15.285 2.433 1.00 1.73 C ATOM 1057 NH1 ARG A 69 -12.800 -15.276 3.570 1.00 1.65 N ATOM 1058 NH2 ARG A 69 -13.448 -16.351 1.647 1.00 2.78 N ATOM 0 H ARG A 69 -18.310 -12.005 0.189 1.00 0.28 H new ATOM 0 HA ARG A 69 -16.187 -10.087 0.593 1.00 0.26 H new ATOM 0 HB2 ARG A 69 -16.881 -12.067 2.081 1.00 0.32 H new ATOM 0 HB3 ARG A 69 -16.079 -13.089 0.906 1.00 0.32 H new ATOM 0 HG2 ARG A 69 -13.996 -11.621 1.260 1.00 0.39 H new ATOM 0 HG3 ARG A 69 -14.835 -10.931 2.635 1.00 0.39 H new ATOM 0 HD2 ARG A 69 -13.389 -12.787 3.349 1.00 0.48 H new ATOM 0 HD3 ARG A 69 -15.073 -13.163 3.654 1.00 0.48 H new ATOM 0 HE ARG A 69 -14.707 -14.274 1.180 1.00 1.24 H new ATOM 0 HH11 ARG A 69 -12.821 -14.453 4.173 1.00 1.65 H new ATOM 0 HH12 ARG A 69 -12.250 -16.092 3.839 1.00 1.65 H new ATOM 0 HH21 ARG A 69 -13.967 -16.358 0.769 1.00 2.78 H new ATOM 0 HH22 ARG A 69 -12.897 -17.164 1.920 1.00 2.78 H new ATOM 1072 N HIS A 70 -14.917 -10.356 -1.507 1.00 0.21 N ATOM 1073 CA HIS A 70 -14.117 -10.480 -2.715 1.00 0.24 C ATOM 1074 C HIS A 70 -12.640 -10.563 -2.357 1.00 0.25 C ATOM 1075 O HIS A 70 -12.099 -9.677 -1.693 1.00 0.37 O ATOM 1076 CB HIS A 70 -14.355 -9.300 -3.662 1.00 0.30 C ATOM 1077 CG HIS A 70 -15.793 -9.077 -4.010 1.00 0.35 C ATOM 1078 ND1 HIS A 70 -16.505 -9.891 -4.865 1.00 0.60 N ATOM 1079 CD2 HIS A 70 -16.654 -8.117 -3.605 1.00 0.41 C ATOM 1080 CE1 HIS A 70 -17.741 -9.437 -4.970 1.00 0.62 C ATOM 1081 NE2 HIS A 70 -17.855 -8.363 -4.216 1.00 0.47 N ATOM 0 H HIS A 70 -14.894 -9.429 -1.081 1.00 0.21 H new ATOM 0 HA HIS A 70 -14.419 -11.394 -3.226 1.00 0.24 H new ATOM 0 HB2 HIS A 70 -13.959 -8.394 -3.203 1.00 0.30 H new ATOM 0 HB3 HIS A 70 -13.791 -9.465 -4.580 1.00 0.30 H new ATOM 0 HD2 HIS A 70 -16.436 -7.306 -2.926 1.00 0.41 H new ATOM 0 HE1 HIS A 70 -18.525 -9.872 -5.572 1.00 0.62 H new ATOM 0 HE2 HIS A 70 -18.701 -7.804 -4.105 1.00 0.47 H new ATOM 1090 N MET A 71 -12.009 -11.636 -2.789 1.00 0.33 N ATOM 1091 CA MET A 71 -10.595 -11.860 -2.534 1.00 0.38 C ATOM 1092 C MET A 71 -9.793 -11.597 -3.804 1.00 0.38 C ATOM 1093 O MET A 71 -9.744 -12.443 -4.703 1.00 0.48 O ATOM 1094 CB MET A 71 -10.384 -13.297 -2.043 1.00 0.47 C ATOM 1095 CG MET A 71 -8.952 -13.631 -1.667 1.00 0.60 C ATOM 1096 SD MET A 71 -8.794 -15.319 -1.051 1.00 0.80 S ATOM 1097 CE MET A 71 -7.073 -15.344 -0.563 1.00 1.80 C ATOM 0 H MET A 71 -12.458 -12.378 -3.326 1.00 0.33 H new ATOM 0 HA MET A 71 -10.248 -11.174 -1.761 1.00 0.38 H new ATOM 0 HB2 MET A 71 -11.023 -13.469 -1.177 1.00 0.47 H new ATOM 0 HB3 MET A 71 -10.711 -13.985 -2.822 1.00 0.47 H new ATOM 0 HG2 MET A 71 -8.308 -13.500 -2.537 1.00 0.60 H new ATOM 0 HG3 MET A 71 -8.604 -12.933 -0.906 1.00 0.60 H new ATOM 0 HE1 MET A 71 -6.910 -16.147 0.156 1.00 1.80 H new ATOM 0 HE2 MET A 71 -6.448 -15.511 -1.441 1.00 1.80 H new ATOM 0 HE3 MET A 71 -6.810 -14.389 -0.107 1.00 1.80 H new ATOM 1107 N PHE A 72 -9.190 -10.418 -3.890 1.00 0.33 N ATOM 1108 CA PHE A 72 -8.461 -10.029 -5.091 1.00 0.31 C ATOM 1109 C PHE A 72 -7.037 -9.617 -4.736 1.00 0.29 C ATOM 1110 O PHE A 72 -6.747 -9.278 -3.591 1.00 0.30 O ATOM 1111 CB PHE A 72 -9.184 -8.885 -5.829 1.00 0.33 C ATOM 1112 CG PHE A 72 -8.897 -7.501 -5.296 1.00 0.31 C ATOM 1113 CD1 PHE A 72 -9.307 -7.142 -4.020 1.00 0.37 C ATOM 1114 CD2 PHE A 72 -8.224 -6.565 -6.065 1.00 0.31 C ATOM 1115 CE1 PHE A 72 -9.051 -5.880 -3.524 1.00 0.36 C ATOM 1116 CE2 PHE A 72 -7.966 -5.301 -5.571 1.00 0.32 C ATOM 1117 CZ PHE A 72 -8.359 -4.951 -4.332 1.00 0.29 C ATOM 0 H PHE A 72 -9.191 -9.718 -3.148 1.00 0.33 H new ATOM 0 HA PHE A 72 -8.421 -10.890 -5.758 1.00 0.31 H new ATOM 0 HB2 PHE A 72 -8.904 -8.918 -6.882 1.00 0.33 H new ATOM 0 HB3 PHE A 72 -10.258 -9.062 -5.779 1.00 0.33 H new ATOM 0 HD1 PHE A 72 -9.833 -7.859 -3.407 1.00 0.37 H new ATOM 0 HD2 PHE A 72 -7.898 -6.826 -7.061 1.00 0.31 H new ATOM 0 HE1 PHE A 72 -9.376 -5.606 -2.531 1.00 0.36 H new ATOM 0 HE2 PHE A 72 -7.442 -4.585 -6.187 1.00 0.32 H new ATOM 0 HZ PHE A 72 -8.145 -3.961 -3.956 1.00 0.29 H new ATOM 1127 N VAL A 73 -6.155 -9.647 -5.717 1.00 0.29 N ATOM 1128 CA VAL A 73 -4.772 -9.270 -5.504 1.00 0.29 C ATOM 1129 C VAL A 73 -4.509 -7.874 -6.046 1.00 0.30 C ATOM 1130 O VAL A 73 -5.034 -7.490 -7.092 1.00 0.47 O ATOM 1131 CB VAL A 73 -3.795 -10.271 -6.153 1.00 0.36 C ATOM 1132 CG1 VAL A 73 -3.788 -11.584 -5.388 1.00 1.12 C ATOM 1133 CG2 VAL A 73 -4.158 -10.514 -7.605 1.00 1.00 C ATOM 0 H VAL A 73 -6.374 -9.930 -6.672 1.00 0.29 H new ATOM 0 HA VAL A 73 -4.600 -9.280 -4.428 1.00 0.29 H new ATOM 0 HB VAL A 73 -2.795 -9.839 -6.115 1.00 0.36 H new ATOM 0 HG11 VAL A 73 -3.093 -12.277 -5.861 1.00 1.12 H new ATOM 0 HG12 VAL A 73 -3.477 -11.404 -4.359 1.00 1.12 H new ATOM 0 HG13 VAL A 73 -4.790 -12.014 -5.394 1.00 1.12 H new ATOM 0 HG21 VAL A 73 -3.455 -11.223 -8.042 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -5.168 -10.920 -7.665 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -4.113 -9.573 -8.154 1.00 1.00 H new ATOM 1143 N PHE A 74 -3.712 -7.118 -5.319 1.00 0.26 N ATOM 1144 CA PHE A 74 -3.344 -5.778 -5.731 1.00 0.25 C ATOM 1145 C PHE A 74 -1.842 -5.743 -5.954 1.00 0.25 C ATOM 1146 O PHE A 74 -1.066 -6.022 -5.038 1.00 0.31 O ATOM 1147 CB PHE A 74 -3.751 -4.759 -4.663 1.00 0.28 C ATOM 1148 CG PHE A 74 -3.807 -3.333 -5.149 1.00 0.27 C ATOM 1149 CD1 PHE A 74 -2.742 -2.793 -5.850 1.00 0.43 C ATOM 1150 CD2 PHE A 74 -4.922 -2.536 -4.922 1.00 0.39 C ATOM 1151 CE1 PHE A 74 -2.786 -1.493 -6.312 1.00 0.42 C ATOM 1152 CE2 PHE A 74 -4.970 -1.235 -5.384 1.00 0.44 C ATOM 1153 CZ PHE A 74 -3.922 -0.691 -6.010 1.00 0.31 C ATOM 0 H PHE A 74 -3.303 -7.412 -4.432 1.00 0.26 H new ATOM 0 HA PHE A 74 -3.862 -5.517 -6.654 1.00 0.25 H new ATOM 0 HB2 PHE A 74 -4.730 -5.034 -4.270 1.00 0.28 H new ATOM 0 HB3 PHE A 74 -3.046 -4.820 -3.834 1.00 0.28 H new ATOM 0 HD1 PHE A 74 -1.866 -3.396 -6.038 1.00 0.43 H new ATOM 0 HD2 PHE A 74 -5.763 -2.939 -4.377 1.00 0.39 H new ATOM 0 HE1 PHE A 74 -1.970 -1.090 -6.894 1.00 0.42 H new ATOM 0 HE2 PHE A 74 -5.866 -0.650 -5.237 1.00 0.44 H new ATOM 0 HZ PHE A 74 -3.937 0.353 -6.286 1.00 0.31 H new ATOM 1163 N GLN A 75 -1.436 -5.411 -7.162 1.00 0.24 N ATOM 1164 CA GLN A 75 -0.025 -5.434 -7.513 1.00 0.27 C ATOM 1165 C GLN A 75 0.376 -4.143 -8.211 1.00 0.32 C ATOM 1166 O GLN A 75 -0.155 -3.805 -9.271 1.00 0.41 O ATOM 1167 CB GLN A 75 0.295 -6.636 -8.406 1.00 0.32 C ATOM 1168 CG GLN A 75 -0.059 -7.977 -7.776 1.00 0.49 C ATOM 1169 CD GLN A 75 0.382 -9.163 -8.611 1.00 0.52 C ATOM 1170 OE1 GLN A 75 1.485 -9.680 -8.440 1.00 1.14 O ATOM 1171 NE2 GLN A 75 -0.473 -9.598 -9.523 1.00 1.12 N ATOM 0 H GLN A 75 -2.058 -5.123 -7.917 1.00 0.24 H new ATOM 0 HA GLN A 75 0.548 -5.525 -6.591 1.00 0.27 H new ATOM 0 HB2 GLN A 75 -0.245 -6.533 -9.347 1.00 0.32 H new ATOM 0 HB3 GLN A 75 1.358 -6.626 -8.646 1.00 0.32 H new ATOM 0 HG2 GLN A 75 0.403 -8.042 -6.791 1.00 0.49 H new ATOM 0 HG3 GLN A 75 -1.137 -8.027 -7.626 1.00 0.49 H new ATOM 0 HE21 GLN A 75 -1.378 -9.141 -9.633 1.00 1.12 H new ATOM 0 HE22 GLN A 75 -0.227 -10.390 -10.116 1.00 1.12 H new ATOM 1180 N ALA A 76 1.302 -3.425 -7.604 1.00 0.36 N ATOM 1181 CA ALA A 76 1.795 -2.173 -8.158 1.00 0.46 C ATOM 1182 C ALA A 76 3.291 -2.277 -8.398 1.00 0.40 C ATOM 1183 O ALA A 76 3.968 -3.017 -7.699 1.00 0.48 O ATOM 1184 CB ALA A 76 1.481 -1.022 -7.216 1.00 0.56 C ATOM 0 H ALA A 76 1.733 -3.689 -6.718 1.00 0.36 H new ATOM 0 HA ALA A 76 1.299 -1.979 -9.109 1.00 0.46 H new ATOM 0 HB1 ALA A 76 1.855 -0.091 -7.642 1.00 0.56 H new ATOM 0 HB2 ALA A 76 0.402 -0.950 -7.077 1.00 0.56 H new ATOM 0 HB3 ALA A 76 1.960 -1.199 -6.253 1.00 0.56 H new ATOM 1190 N ASP A 77 3.814 -1.548 -9.376 1.00 0.56 N ATOM 1191 CA ASP A 77 5.232 -1.671 -9.716 1.00 0.61 C ATOM 1192 C ASP A 77 6.097 -0.916 -8.704 1.00 0.43 C ATOM 1193 O ASP A 77 5.618 -0.527 -7.641 1.00 0.47 O ATOM 1194 CB ASP A 77 5.490 -1.167 -11.139 1.00 0.95 C ATOM 1195 CG ASP A 77 6.710 -1.814 -11.769 1.00 1.54 C ATOM 1196 OD1 ASP A 77 7.835 -1.306 -11.564 1.00 2.06 O ATOM 1197 OD2 ASP A 77 6.559 -2.829 -12.472 1.00 2.13 O ATOM 0 H ASP A 77 3.292 -0.877 -9.940 1.00 0.56 H new ATOM 0 HA ASP A 77 5.506 -2.725 -9.675 1.00 0.61 H new ATOM 0 HB2 ASP A 77 4.615 -1.368 -11.757 1.00 0.95 H new ATOM 0 HB3 ASP A 77 5.625 -0.086 -11.120 1.00 0.95 H new ATOM 1202 N ALA A 78 7.368 -0.713 -9.027 1.00 0.45 N ATOM 1203 CA ALA A 78 8.298 -0.087 -8.109 1.00 0.36 C ATOM 1204 C ALA A 78 8.027 1.407 -7.992 1.00 0.37 C ATOM 1205 O ALA A 78 7.811 2.088 -8.999 1.00 0.46 O ATOM 1206 CB ALA A 78 9.729 -0.333 -8.566 1.00 0.40 C ATOM 0 H ALA A 78 7.776 -0.976 -9.924 1.00 0.45 H new ATOM 0 HA ALA A 78 8.160 -0.532 -7.124 1.00 0.36 H new ATOM 0 HB1 ALA A 78 10.420 0.142 -7.869 1.00 0.40 H new ATOM 0 HB2 ALA A 78 9.922 -1.405 -8.595 1.00 0.40 H new ATOM 0 HB3 ALA A 78 9.871 0.088 -9.561 1.00 0.40 H new ATOM 1212 N PRO A 79 8.003 1.924 -6.754 1.00 0.34 N ATOM 1213 CA PRO A 79 7.892 3.359 -6.498 1.00 0.43 C ATOM 1214 C PRO A 79 8.974 4.147 -7.230 1.00 0.41 C ATOM 1215 O PRO A 79 10.080 3.650 -7.441 1.00 0.47 O ATOM 1216 CB PRO A 79 8.089 3.472 -4.985 1.00 0.47 C ATOM 1217 CG PRO A 79 7.696 2.140 -4.448 1.00 0.53 C ATOM 1218 CD PRO A 79 8.064 1.141 -5.509 1.00 0.33 C ATOM 0 HA PRO A 79 6.942 3.766 -6.845 1.00 0.43 H new ATOM 0 HB2 PRO A 79 9.124 3.708 -4.738 1.00 0.47 H new ATOM 0 HB3 PRO A 79 7.472 4.266 -4.564 1.00 0.47 H new ATOM 0 HG2 PRO A 79 8.216 1.927 -3.514 1.00 0.53 H new ATOM 0 HG3 PRO A 79 6.628 2.106 -4.233 1.00 0.53 H new ATOM 0 HD2 PRO A 79 9.059 0.727 -5.343 1.00 0.33 H new ATOM 0 HD3 PRO A 79 7.369 0.302 -5.528 1.00 0.33 H new ATOM 1226 N ASN A 80 8.641 5.368 -7.616 1.00 0.43 N ATOM 1227 CA ASN A 80 9.558 6.238 -8.341 1.00 0.46 C ATOM 1228 C ASN A 80 10.823 6.479 -7.522 1.00 0.40 C ATOM 1229 O ASN A 80 10.769 7.084 -6.450 1.00 0.39 O ATOM 1230 CB ASN A 80 8.867 7.569 -8.644 1.00 0.56 C ATOM 1231 CG ASN A 80 9.599 8.405 -9.677 1.00 1.33 C ATOM 1232 OD1 ASN A 80 10.825 8.359 -9.787 1.00 2.19 O ATOM 1233 ND2 ASN A 80 8.846 9.174 -10.445 1.00 1.59 N ATOM 0 H ASN A 80 7.728 5.786 -7.436 1.00 0.43 H new ATOM 0 HA ASN A 80 9.840 5.756 -9.277 1.00 0.46 H new ATOM 0 HB2 ASN A 80 7.855 7.372 -8.997 1.00 0.56 H new ATOM 0 HB3 ASN A 80 8.777 8.142 -7.721 1.00 0.56 H new ATOM 0 HD21 ASN A 80 9.278 9.758 -11.161 1.00 1.59 H new ATOM 0 HD22 ASN A 80 7.834 9.183 -10.321 1.00 1.59 H new ATOM 1240 N PRO A 81 11.976 6.005 -8.018 1.00 0.41 N ATOM 1241 CA PRO A 81 13.266 6.143 -7.329 1.00 0.41 C ATOM 1242 C PRO A 81 13.715 7.598 -7.217 1.00 0.43 C ATOM 1243 O PRO A 81 14.640 7.915 -6.478 1.00 0.48 O ATOM 1244 CB PRO A 81 14.241 5.350 -8.209 1.00 0.47 C ATOM 1245 CG PRO A 81 13.383 4.496 -9.078 1.00 0.54 C ATOM 1246 CD PRO A 81 12.115 5.271 -9.284 1.00 0.48 C ATOM 0 HA PRO A 81 13.212 5.781 -6.302 1.00 0.41 H new ATOM 0 HB2 PRO A 81 14.864 6.017 -8.805 1.00 0.47 H new ATOM 0 HB3 PRO A 81 14.913 4.743 -7.603 1.00 0.47 H new ATOM 0 HG2 PRO A 81 13.873 4.288 -10.029 1.00 0.54 H new ATOM 0 HG3 PRO A 81 13.182 3.534 -8.606 1.00 0.54 H new ATOM 0 HD2 PRO A 81 12.187 5.945 -10.137 1.00 0.48 H new ATOM 0 HD3 PRO A 81 11.264 4.615 -9.467 1.00 0.48 H new ATOM 1254 N GLY A 82 13.051 8.473 -7.961 1.00 0.45 N ATOM 1255 CA GLY A 82 13.351 9.889 -7.894 1.00 0.49 C ATOM 1256 C GLY A 82 12.626 10.566 -6.750 1.00 0.48 C ATOM 1257 O GLY A 82 12.878 11.732 -6.444 1.00 0.51 O ATOM 0 H GLY A 82 12.306 8.225 -8.613 1.00 0.45 H new ATOM 0 HA2 GLY A 82 14.426 10.027 -7.775 1.00 0.49 H new ATOM 0 HA3 GLY A 82 13.070 10.364 -8.834 1.00 0.49 H new ATOM 1261 N LEU A 83 11.710 9.834 -6.127 1.00 0.46 N ATOM 1262 CA LEU A 83 10.971 10.347 -4.984 1.00 0.49 C ATOM 1263 C LEU A 83 11.427 9.687 -3.691 1.00 0.46 C ATOM 1264 O LEU A 83 11.175 10.209 -2.607 1.00 0.52 O ATOM 1265 CB LEU A 83 9.465 10.150 -5.180 1.00 0.52 C ATOM 1266 CG LEU A 83 8.827 11.056 -6.234 1.00 0.58 C ATOM 1267 CD1 LEU A 83 7.361 10.710 -6.419 1.00 1.60 C ATOM 1268 CD2 LEU A 83 8.982 12.519 -5.843 1.00 1.34 C ATOM 0 H LEU A 83 11.462 8.882 -6.396 1.00 0.46 H new ATOM 0 HA LEU A 83 11.176 11.415 -4.909 1.00 0.49 H new ATOM 0 HB2 LEU A 83 9.283 9.112 -5.457 1.00 0.52 H new ATOM 0 HB3 LEU A 83 8.964 10.319 -4.226 1.00 0.52 H new ATOM 0 HG LEU A 83 9.341 10.894 -7.182 1.00 0.58 H new ATOM 0 HD11 LEU A 83 6.925 11.365 -7.173 1.00 1.60 H new ATOM 0 HD12 LEU A 83 7.270 9.673 -6.743 1.00 1.60 H new ATOM 0 HD13 LEU A 83 6.834 10.842 -5.474 1.00 1.60 H new ATOM 0 HD21 LEU A 83 8.522 13.150 -6.604 1.00 1.34 H new ATOM 0 HD22 LEU A 83 8.494 12.693 -4.884 1.00 1.34 H new ATOM 0 HD23 LEU A 83 10.041 12.763 -5.760 1.00 1.34 H new ATOM 1280 N ILE A 84 12.087 8.537 -3.798 1.00 0.41 N ATOM 1281 CA ILE A 84 12.640 7.883 -2.622 1.00 0.40 C ATOM 1282 C ILE A 84 13.991 8.507 -2.274 1.00 0.46 C ATOM 1283 O ILE A 84 14.916 8.497 -3.084 1.00 0.52 O ATOM 1284 CB ILE A 84 12.787 6.363 -2.831 1.00 0.37 C ATOM 1285 CG1 ILE A 84 11.432 5.757 -3.219 1.00 0.34 C ATOM 1286 CG2 ILE A 84 13.328 5.699 -1.570 1.00 0.39 C ATOM 1287 CD1 ILE A 84 11.470 4.258 -3.427 1.00 0.33 C ATOM 0 H ILE A 84 12.249 8.046 -4.677 1.00 0.41 H new ATOM 0 HA ILE A 84 11.947 8.031 -1.794 1.00 0.40 H new ATOM 0 HB ILE A 84 13.497 6.186 -3.639 1.00 0.37 H new ATOM 0 HG12 ILE A 84 10.705 5.988 -2.440 1.00 0.34 H new ATOM 0 HG13 ILE A 84 11.081 6.233 -4.135 1.00 0.34 H new ATOM 0 HG21 ILE A 84 13.425 4.626 -1.737 1.00 0.39 H new ATOM 0 HG22 ILE A 84 14.305 6.118 -1.328 1.00 0.39 H new ATOM 0 HG23 ILE A 84 12.642 5.877 -0.742 1.00 0.39 H new ATOM 0 HD11 ILE A 84 10.476 3.903 -3.699 1.00 0.33 H new ATOM 0 HD12 ILE A 84 12.172 4.019 -4.226 1.00 0.33 H new ATOM 0 HD13 ILE A 84 11.790 3.771 -2.506 1.00 0.33 H new ATOM 1299 N PRO A 85 14.109 9.065 -1.060 1.00 0.48 N ATOM 1300 CA PRO A 85 15.261 9.869 -0.662 1.00 0.57 C ATOM 1301 C PRO A 85 16.481 9.030 -0.304 1.00 0.56 C ATOM 1302 O PRO A 85 16.366 7.845 -0.006 1.00 0.55 O ATOM 1303 CB PRO A 85 14.749 10.628 0.562 1.00 0.68 C ATOM 1304 CG PRO A 85 13.688 9.758 1.150 1.00 0.81 C ATOM 1305 CD PRO A 85 13.133 8.917 0.030 1.00 0.50 C ATOM 0 HA PRO A 85 15.604 10.512 -1.473 1.00 0.57 H new ATOM 0 HB2 PRO A 85 15.552 10.808 1.277 1.00 0.68 H new ATOM 0 HB3 PRO A 85 14.348 11.602 0.281 1.00 0.68 H new ATOM 0 HG2 PRO A 85 14.100 9.127 1.938 1.00 0.81 H new ATOM 0 HG3 PRO A 85 12.902 10.362 1.604 1.00 0.81 H new ATOM 0 HD2 PRO A 85 13.029 7.874 0.331 1.00 0.50 H new ATOM 0 HD3 PRO A 85 12.144 9.262 -0.273 1.00 0.50 H new ATOM 1313 N ASP A 86 17.643 9.670 -0.312 1.00 0.67 N ATOM 1314 CA ASP A 86 18.911 9.008 -0.019 1.00 0.76 C ATOM 1315 C ASP A 86 18.865 8.275 1.318 1.00 0.78 C ATOM 1316 O ASP A 86 19.086 7.065 1.388 1.00 0.86 O ATOM 1317 CB ASP A 86 20.033 10.050 0.002 1.00 0.98 C ATOM 1318 CG ASP A 86 21.392 9.461 0.322 1.00 1.52 C ATOM 1319 OD1 ASP A 86 21.682 9.260 1.521 1.00 2.29 O ATOM 1320 OD2 ASP A 86 22.160 9.174 -0.617 1.00 1.92 O ATOM 0 H ASP A 86 17.735 10.664 -0.522 1.00 0.67 H new ATOM 0 HA ASP A 86 19.099 8.269 -0.798 1.00 0.76 H new ATOM 0 HB2 ASP A 86 20.078 10.544 -0.968 1.00 0.98 H new ATOM 0 HB3 ASP A 86 19.794 10.816 0.739 1.00 0.98 H new ATOM 1325 N ALA A 87 18.544 9.013 2.369 1.00 0.83 N ATOM 1326 CA ALA A 87 18.574 8.482 3.726 1.00 0.99 C ATOM 1327 C ALA A 87 17.506 7.412 3.956 1.00 0.90 C ATOM 1328 O ALA A 87 17.715 6.476 4.730 1.00 1.07 O ATOM 1329 CB ALA A 87 18.407 9.615 4.727 1.00 1.25 C ATOM 0 H ALA A 87 18.257 9.990 2.309 1.00 0.83 H new ATOM 0 HA ALA A 87 19.543 8.003 3.869 1.00 0.99 H new ATOM 0 HB1 ALA A 87 18.430 9.212 5.740 1.00 1.25 H new ATOM 0 HB2 ALA A 87 19.218 10.332 4.603 1.00 1.25 H new ATOM 0 HB3 ALA A 87 17.453 10.113 4.557 1.00 1.25 H new ATOM 1335 N ASP A 88 16.373 7.531 3.275 1.00 0.76 N ATOM 1336 CA ASP A 88 15.247 6.644 3.544 1.00 0.78 C ATOM 1337 C ASP A 88 15.179 5.485 2.550 1.00 0.62 C ATOM 1338 O ASP A 88 14.427 4.533 2.747 1.00 0.64 O ATOM 1339 CB ASP A 88 13.941 7.430 3.537 1.00 0.99 C ATOM 1340 CG ASP A 88 12.777 6.602 4.024 1.00 1.41 C ATOM 1341 OD1 ASP A 88 12.835 6.120 5.176 1.00 1.68 O ATOM 1342 OD2 ASP A 88 11.809 6.442 3.261 1.00 1.94 O ATOM 0 H ASP A 88 16.210 8.222 2.543 1.00 0.76 H new ATOM 0 HA ASP A 88 15.399 6.213 4.534 1.00 0.78 H new ATOM 0 HB2 ASP A 88 14.046 8.313 4.168 1.00 0.99 H new ATOM 0 HB3 ASP A 88 13.736 7.783 2.526 1.00 0.99 H new ATOM 1347 N ALA A 89 15.973 5.553 1.489 1.00 0.54 N ATOM 1348 CA ALA A 89 16.059 4.445 0.546 1.00 0.49 C ATOM 1349 C ALA A 89 16.616 3.210 1.241 1.00 0.44 C ATOM 1350 O ALA A 89 16.287 2.083 0.896 1.00 0.51 O ATOM 1351 CB ALA A 89 16.920 4.820 -0.648 1.00 0.48 C ATOM 0 H ALA A 89 16.561 6.355 1.261 1.00 0.54 H new ATOM 0 HA ALA A 89 15.057 4.220 0.182 1.00 0.49 H new ATOM 0 HB1 ALA A 89 16.970 3.978 -1.339 1.00 0.48 H new ATOM 0 HB2 ALA A 89 16.484 5.680 -1.155 1.00 0.48 H new ATOM 0 HB3 ALA A 89 17.925 5.071 -0.308 1.00 0.48 H new ATOM 1357 N VAL A 90 17.485 3.440 2.211 1.00 0.41 N ATOM 1358 CA VAL A 90 17.968 2.375 3.075 1.00 0.43 C ATOM 1359 C VAL A 90 17.238 2.459 4.425 1.00 0.43 C ATOM 1360 O VAL A 90 17.795 2.141 5.478 1.00 0.49 O ATOM 1361 CB VAL A 90 19.496 2.484 3.294 1.00 0.49 C ATOM 1362 CG1 VAL A 90 20.065 1.191 3.864 1.00 0.56 C ATOM 1363 CG2 VAL A 90 20.195 2.851 1.993 1.00 0.54 C ATOM 0 H VAL A 90 17.872 4.360 2.421 1.00 0.41 H new ATOM 0 HA VAL A 90 17.766 1.415 2.599 1.00 0.43 H new ATOM 0 HB VAL A 90 19.677 3.276 4.021 1.00 0.49 H new ATOM 0 HG11 VAL A 90 21.140 1.298 4.007 1.00 0.56 H new ATOM 0 HG12 VAL A 90 19.591 0.976 4.822 1.00 0.56 H new ATOM 0 HG13 VAL A 90 19.871 0.372 3.172 1.00 0.56 H new ATOM 0 HG21 VAL A 90 21.269 2.924 2.165 1.00 0.54 H new ATOM 0 HG22 VAL A 90 19.998 2.083 1.245 1.00 0.54 H new ATOM 0 HG23 VAL A 90 19.819 3.810 1.636 1.00 0.54 H new ATOM 1373 N GLY A 91 15.977 2.877 4.385 1.00 0.42 N ATOM 1374 CA GLY A 91 15.267 3.205 5.609 1.00 0.46 C ATOM 1375 C GLY A 91 13.889 2.579 5.700 1.00 0.43 C ATOM 1376 O GLY A 91 13.673 1.462 5.231 1.00 0.62 O ATOM 0 H GLY A 91 15.435 2.994 3.529 1.00 0.42 H new ATOM 0 HA2 GLY A 91 15.862 2.879 6.462 1.00 0.46 H new ATOM 0 HA3 GLY A 91 15.170 4.288 5.683 1.00 0.46 H new ATOM 1380 N VAL A 92 12.954 3.304 6.308 1.00 0.40 N ATOM 1381 CA VAL A 92 11.632 2.766 6.605 1.00 0.38 C ATOM 1382 C VAL A 92 10.532 3.722 6.149 1.00 0.36 C ATOM 1383 O VAL A 92 10.253 4.724 6.811 1.00 0.55 O ATOM 1384 CB VAL A 92 11.454 2.489 8.118 1.00 0.50 C ATOM 1385 CG1 VAL A 92 10.098 1.857 8.399 1.00 1.07 C ATOM 1386 CG2 VAL A 92 12.574 1.604 8.647 1.00 1.23 C ATOM 0 H VAL A 92 13.090 4.270 6.605 1.00 0.40 H new ATOM 0 HA VAL A 92 11.550 1.827 6.058 1.00 0.38 H new ATOM 0 HB VAL A 92 11.501 3.445 8.639 1.00 0.50 H new ATOM 0 HG11 VAL A 92 9.997 1.672 9.468 1.00 1.07 H new ATOM 0 HG12 VAL A 92 9.307 2.532 8.071 1.00 1.07 H new ATOM 0 HG13 VAL A 92 10.017 0.914 7.859 1.00 1.07 H new ATOM 0 HG21 VAL A 92 12.424 1.425 9.712 1.00 1.23 H new ATOM 0 HG22 VAL A 92 12.568 0.653 8.115 1.00 1.23 H new ATOM 0 HG23 VAL A 92 13.533 2.100 8.493 1.00 1.23 H new ATOM 1396 N THR A 93 9.909 3.402 5.029 1.00 0.28 N ATOM 1397 CA THR A 93 8.804 4.184 4.517 1.00 0.28 C ATOM 1398 C THR A 93 7.514 3.381 4.639 1.00 0.27 C ATOM 1399 O THR A 93 7.555 2.183 4.899 1.00 0.41 O ATOM 1400 CB THR A 93 9.038 4.575 3.051 1.00 0.35 C ATOM 1401 OG1 THR A 93 10.361 4.195 2.647 1.00 0.63 O ATOM 1402 CG2 THR A 93 8.873 6.070 2.873 1.00 0.59 C ATOM 0 H THR A 93 10.155 2.597 4.453 1.00 0.28 H new ATOM 0 HA THR A 93 8.726 5.099 5.104 1.00 0.28 H new ATOM 0 HB THR A 93 8.304 4.056 2.434 1.00 0.35 H new ATOM 0 HG1 THR A 93 10.998 4.887 2.921 1.00 0.63 H new ATOM 0 HG21 THR A 93 9.042 6.333 1.829 1.00 0.59 H new ATOM 0 HG22 THR A 93 7.863 6.362 3.162 1.00 0.59 H new ATOM 0 HG23 THR A 93 9.595 6.593 3.500 1.00 0.59 H new ATOM 1410 N VAL A 94 6.373 4.023 4.472 1.00 0.25 N ATOM 1411 CA VAL A 94 5.101 3.338 4.641 1.00 0.25 C ATOM 1412 C VAL A 94 4.373 3.195 3.305 1.00 0.24 C ATOM 1413 O VAL A 94 4.400 4.104 2.473 1.00 0.28 O ATOM 1414 CB VAL A 94 4.194 4.086 5.647 1.00 0.30 C ATOM 1415 CG1 VAL A 94 2.943 3.281 5.961 1.00 0.36 C ATOM 1416 CG2 VAL A 94 4.956 4.404 6.926 1.00 0.32 C ATOM 0 H VAL A 94 6.298 5.009 4.222 1.00 0.25 H new ATOM 0 HA VAL A 94 5.318 2.345 5.034 1.00 0.25 H new ATOM 0 HB VAL A 94 3.886 5.024 5.185 1.00 0.30 H new ATOM 0 HG11 VAL A 94 2.325 3.831 6.670 1.00 0.36 H new ATOM 0 HG12 VAL A 94 2.379 3.112 5.043 1.00 0.36 H new ATOM 0 HG13 VAL A 94 3.227 2.322 6.395 1.00 0.36 H new ATOM 0 HG21 VAL A 94 4.300 4.930 7.619 1.00 0.32 H new ATOM 0 HG22 VAL A 94 5.300 3.477 7.384 1.00 0.32 H new ATOM 0 HG23 VAL A 94 5.815 5.033 6.691 1.00 0.32 H new ATOM 1426 N VAL A 95 3.748 2.046 3.093 1.00 0.22 N ATOM 1427 CA VAL A 95 2.919 1.840 1.919 1.00 0.22 C ATOM 1428 C VAL A 95 1.459 1.821 2.345 1.00 0.24 C ATOM 1429 O VAL A 95 1.079 1.101 3.272 1.00 0.34 O ATOM 1430 CB VAL A 95 3.288 0.541 1.152 1.00 0.26 C ATOM 1431 CG1 VAL A 95 3.139 -0.694 2.024 1.00 0.54 C ATOM 1432 CG2 VAL A 95 2.452 0.408 -0.111 1.00 0.60 C ATOM 0 H VAL A 95 3.800 1.243 3.720 1.00 0.22 H new ATOM 0 HA VAL A 95 3.095 2.663 1.227 1.00 0.22 H new ATOM 0 HB VAL A 95 4.338 0.617 0.871 1.00 0.26 H new ATOM 0 HG11 VAL A 95 3.407 -1.580 1.449 1.00 0.54 H new ATOM 0 HG12 VAL A 95 3.797 -0.610 2.889 1.00 0.54 H new ATOM 0 HG13 VAL A 95 2.106 -0.779 2.361 1.00 0.54 H new ATOM 0 HG21 VAL A 95 2.726 -0.508 -0.634 1.00 0.60 H new ATOM 0 HG22 VAL A 95 1.395 0.373 0.154 1.00 0.60 H new ATOM 0 HG23 VAL A 95 2.635 1.264 -0.760 1.00 0.60 H new ATOM 1442 N LEU A 96 0.650 2.639 1.698 1.00 0.21 N ATOM 1443 CA LEU A 96 -0.728 2.815 2.114 1.00 0.26 C ATOM 1444 C LEU A 96 -1.687 2.323 1.051 1.00 0.24 C ATOM 1445 O LEU A 96 -1.545 2.631 -0.131 1.00 0.38 O ATOM 1446 CB LEU A 96 -1.033 4.282 2.405 1.00 0.44 C ATOM 1447 CG LEU A 96 -0.082 4.978 3.381 1.00 0.61 C ATOM 1448 CD1 LEU A 96 -0.343 6.476 3.400 1.00 1.13 C ATOM 1449 CD2 LEU A 96 -0.247 4.401 4.778 1.00 1.21 C ATOM 0 H LEU A 96 0.923 3.191 0.884 1.00 0.21 H new ATOM 0 HA LEU A 96 -0.861 2.229 3.023 1.00 0.26 H new ATOM 0 HB2 LEU A 96 -1.022 4.830 1.463 1.00 0.44 H new ATOM 0 HB3 LEU A 96 -2.046 4.351 2.802 1.00 0.44 H new ATOM 0 HG LEU A 96 0.942 4.807 3.048 1.00 0.61 H new ATOM 0 HD11 LEU A 96 0.342 6.956 4.099 1.00 1.13 H new ATOM 0 HD12 LEU A 96 -0.188 6.885 2.402 1.00 1.13 H new ATOM 0 HD13 LEU A 96 -1.370 6.662 3.713 1.00 1.13 H new ATOM 0 HD21 LEU A 96 0.435 4.905 5.463 1.00 1.21 H new ATOM 0 HD22 LEU A 96 -1.273 4.549 5.114 1.00 1.21 H new ATOM 0 HD23 LEU A 96 -0.021 3.335 4.760 1.00 1.21 H new ATOM 1461 N ILE A 97 -2.657 1.559 1.490 1.00 0.22 N ATOM 1462 CA ILE A 97 -3.748 1.128 0.642 1.00 0.24 C ATOM 1463 C ILE A 97 -5.029 1.799 1.102 1.00 0.26 C ATOM 1464 O ILE A 97 -5.593 1.437 2.133 1.00 0.28 O ATOM 1465 CB ILE A 97 -3.930 -0.403 0.672 1.00 0.27 C ATOM 1466 CG1 ILE A 97 -2.681 -1.098 0.126 1.00 0.27 C ATOM 1467 CG2 ILE A 97 -5.161 -0.809 -0.125 1.00 0.33 C ATOM 1468 CD1 ILE A 97 -2.771 -2.609 0.145 1.00 0.30 C ATOM 0 H ILE A 97 -2.715 1.216 2.449 1.00 0.22 H new ATOM 0 HA ILE A 97 -3.513 1.413 -0.383 1.00 0.24 H new ATOM 0 HB ILE A 97 -4.074 -0.715 1.706 1.00 0.27 H new ATOM 0 HG12 ILE A 97 -2.509 -0.766 -0.898 1.00 0.27 H new ATOM 0 HG13 ILE A 97 -1.816 -0.786 0.712 1.00 0.27 H new ATOM 0 HG21 ILE A 97 -5.274 -1.893 -0.093 1.00 0.33 H new ATOM 0 HG22 ILE A 97 -6.045 -0.339 0.306 1.00 0.33 H new ATOM 0 HG23 ILE A 97 -5.047 -0.486 -1.160 1.00 0.33 H new ATOM 0 HD11 ILE A 97 -1.851 -3.033 -0.256 1.00 0.30 H new ATOM 0 HD12 ILE A 97 -2.912 -2.952 1.170 1.00 0.30 H new ATOM 0 HD13 ILE A 97 -3.615 -2.931 -0.465 1.00 0.30 H new ATOM 1480 N THR A 98 -5.464 2.802 0.366 1.00 0.29 N ATOM 1481 CA THR A 98 -6.675 3.510 0.721 1.00 0.33 C ATOM 1482 C THR A 98 -7.814 3.098 -0.197 1.00 0.28 C ATOM 1483 O THR A 98 -7.610 2.819 -1.382 1.00 0.37 O ATOM 1484 CB THR A 98 -6.490 5.046 0.676 1.00 0.43 C ATOM 1485 OG1 THR A 98 -7.672 5.698 1.155 1.00 1.42 O ATOM 1486 CG2 THR A 98 -6.180 5.530 -0.735 1.00 1.07 C ATOM 0 H THR A 98 -5.000 3.143 -0.476 1.00 0.29 H new ATOM 0 HA THR A 98 -6.917 3.239 1.749 1.00 0.33 H new ATOM 0 HB THR A 98 -5.645 5.296 1.317 1.00 0.43 H new ATOM 0 HG1 THR A 98 -7.429 6.550 1.573 1.00 1.42 H new ATOM 0 HG21 THR A 98 -6.056 6.613 -0.729 1.00 1.07 H new ATOM 0 HG22 THR A 98 -5.261 5.062 -1.087 1.00 1.07 H new ATOM 0 HG23 THR A 98 -7.001 5.262 -1.400 1.00 1.07 H new ATOM 1494 N CYS A 99 -9.001 3.026 0.370 1.00 0.28 N ATOM 1495 CA CYS A 99 -10.191 2.711 -0.392 1.00 0.29 C ATOM 1496 C CYS A 99 -11.115 3.919 -0.423 1.00 0.31 C ATOM 1497 O CYS A 99 -11.710 4.293 0.593 1.00 0.33 O ATOM 1498 CB CYS A 99 -10.900 1.510 0.219 1.00 0.36 C ATOM 1499 SG CYS A 99 -9.810 0.105 0.529 1.00 1.32 S ATOM 0 H CYS A 99 -9.167 3.183 1.364 1.00 0.28 H new ATOM 0 HA CYS A 99 -9.908 2.460 -1.414 1.00 0.29 H new ATOM 0 HB2 CYS A 99 -11.365 1.812 1.158 1.00 0.36 H new ATOM 0 HB3 CYS A 99 -11.703 1.195 -0.447 1.00 0.36 H new ATOM 0 HG CYS A 99 -9.744 -0.637 -0.537 1.00 1.32 H new ATOM 1505 N THR A 100 -11.208 4.537 -1.582 1.00 0.34 N ATOM 1506 CA THR A 100 -11.986 5.747 -1.741 1.00 0.38 C ATOM 1507 C THR A 100 -13.346 5.446 -2.368 1.00 0.37 C ATOM 1508 O THR A 100 -13.429 4.893 -3.465 1.00 0.41 O ATOM 1509 CB THR A 100 -11.224 6.753 -2.617 1.00 0.43 C ATOM 1510 OG1 THR A 100 -9.831 6.732 -2.282 1.00 0.47 O ATOM 1511 CG2 THR A 100 -11.762 8.161 -2.431 1.00 0.50 C ATOM 0 H THR A 100 -10.749 4.217 -2.435 1.00 0.34 H new ATOM 0 HA THR A 100 -12.149 6.176 -0.752 1.00 0.38 H new ATOM 0 HB THR A 100 -11.361 6.463 -3.659 1.00 0.43 H new ATOM 0 HG1 THR A 100 -9.312 7.116 -3.019 1.00 0.47 H new ATOM 0 HG21 THR A 100 -11.203 8.851 -3.064 1.00 0.50 H new ATOM 0 HG22 THR A 100 -12.816 8.187 -2.708 1.00 0.50 H new ATOM 0 HG23 THR A 100 -11.654 8.457 -1.388 1.00 0.50 H new ATOM 1519 N TYR A 101 -14.406 5.800 -1.660 1.00 0.37 N ATOM 1520 CA TYR A 101 -15.756 5.622 -2.165 1.00 0.40 C ATOM 1521 C TYR A 101 -16.440 6.982 -2.251 1.00 0.44 C ATOM 1522 O TYR A 101 -16.495 7.713 -1.266 1.00 0.44 O ATOM 1523 CB TYR A 101 -16.533 4.670 -1.247 1.00 0.41 C ATOM 1524 CG TYR A 101 -17.876 4.206 -1.783 1.00 0.43 C ATOM 1525 CD1 TYR A 101 -18.184 4.364 -3.125 1.00 0.53 C ATOM 1526 CD2 TYR A 101 -18.831 3.617 -0.959 1.00 0.68 C ATOM 1527 CE1 TYR A 101 -19.397 3.949 -3.635 1.00 0.58 C ATOM 1528 CE2 TYR A 101 -20.049 3.197 -1.467 1.00 0.73 C ATOM 1529 CZ TYR A 101 -20.351 3.345 -2.721 1.00 0.56 C ATOM 1530 OH TYR A 101 -21.524 2.935 -3.326 1.00 0.65 O ATOM 0 H TYR A 101 -14.356 6.214 -0.729 1.00 0.37 H new ATOM 0 HA TYR A 101 -15.727 5.181 -3.161 1.00 0.40 H new ATOM 0 HB2 TYR A 101 -15.915 3.793 -1.053 1.00 0.41 H new ATOM 0 HB3 TYR A 101 -16.694 5.165 -0.289 1.00 0.41 H new ATOM 0 HD1 TYR A 101 -17.461 4.821 -3.784 1.00 0.53 H new ATOM 0 HD2 TYR A 101 -18.619 3.486 0.092 1.00 0.68 H new ATOM 0 HE1 TYR A 101 -19.630 4.070 -4.683 1.00 0.58 H new ATOM 0 HE2 TYR A 101 -20.765 2.735 -0.804 1.00 0.73 H new ATOM 0 HH TYR A 101 -22.284 3.157 -2.749 1.00 0.65 H new ATOM 1540 N ARG A 102 -16.908 7.332 -3.450 1.00 0.52 N ATOM 1541 CA ARG A 102 -17.550 8.631 -3.702 1.00 0.59 C ATOM 1542 C ARG A 102 -16.559 9.785 -3.539 1.00 0.57 C ATOM 1543 O ARG A 102 -16.957 10.946 -3.454 1.00 0.64 O ATOM 1544 CB ARG A 102 -18.742 8.861 -2.763 1.00 0.65 C ATOM 1545 CG ARG A 102 -19.849 7.830 -2.883 1.00 0.75 C ATOM 1546 CD ARG A 102 -20.418 7.763 -4.289 1.00 0.86 C ATOM 1547 NE ARG A 102 -20.887 9.063 -4.766 1.00 1.26 N ATOM 1548 CZ ARG A 102 -22.167 9.362 -4.991 1.00 1.58 C ATOM 1549 NH1 ARG A 102 -23.119 8.470 -4.743 1.00 1.51 N ATOM 1550 NH2 ARG A 102 -22.482 10.562 -5.463 1.00 2.45 N ATOM 0 H ARG A 102 -16.855 6.730 -4.272 1.00 0.52 H new ATOM 0 HA ARG A 102 -17.906 8.607 -4.732 1.00 0.59 H new ATOM 0 HB2 ARG A 102 -18.381 8.869 -1.735 1.00 0.65 H new ATOM 0 HB3 ARG A 102 -19.159 9.848 -2.962 1.00 0.65 H new ATOM 0 HG2 ARG A 102 -19.463 6.850 -2.602 1.00 0.75 H new ATOM 0 HG3 ARG A 102 -20.647 8.072 -2.181 1.00 0.75 H new ATOM 0 HD2 ARG A 102 -19.655 7.384 -4.969 1.00 0.86 H new ATOM 0 HD3 ARG A 102 -21.244 7.052 -4.310 1.00 0.86 H new ATOM 0 HE ARG A 102 -20.190 9.788 -4.938 1.00 1.26 H new ATOM 0 HH11 ARG A 102 -22.873 7.550 -4.378 1.00 1.51 H new ATOM 0 HH12 ARG A 102 -24.096 8.705 -4.917 1.00 1.51 H new ATOM 0 HH21 ARG A 102 -21.748 11.245 -5.650 1.00 2.45 H new ATOM 0 HH22 ARG A 102 -23.458 10.801 -5.639 1.00 2.45 H new ATOM 1564 N GLY A 103 -15.270 9.471 -3.509 1.00 0.52 N ATOM 1565 CA GLY A 103 -14.270 10.493 -3.279 1.00 0.53 C ATOM 1566 C GLY A 103 -14.009 10.678 -1.800 1.00 0.49 C ATOM 1567 O GLY A 103 -13.393 11.657 -1.381 1.00 0.57 O ATOM 0 H GLY A 103 -14.901 8.529 -3.640 1.00 0.52 H new ATOM 0 HA2 GLY A 103 -13.343 10.219 -3.783 1.00 0.53 H new ATOM 0 HA3 GLY A 103 -14.603 11.436 -3.713 1.00 0.53 H new ATOM 1571 N GLN A 104 -14.505 9.735 -1.011 1.00 0.45 N ATOM 1572 CA GLN A 104 -14.325 9.743 0.431 1.00 0.44 C ATOM 1573 C GLN A 104 -13.710 8.418 0.878 1.00 0.37 C ATOM 1574 O GLN A 104 -14.302 7.356 0.686 1.00 0.37 O ATOM 1575 CB GLN A 104 -15.682 9.958 1.104 1.00 0.51 C ATOM 1576 CG GLN A 104 -16.378 11.227 0.640 1.00 0.66 C ATOM 1577 CD GLN A 104 -17.855 11.265 0.975 1.00 0.89 C ATOM 1578 OE1 GLN A 104 -18.244 10.612 2.055 1.00 1.31 O flip ATOM 1579 NE2 GLN A 104 -18.645 11.886 0.264 1.00 0.98 N flip ATOM 0 H GLN A 104 -15.045 8.941 -1.356 1.00 0.45 H new ATOM 0 HA GLN A 104 -13.653 10.552 0.718 1.00 0.44 H new ATOM 0 HB2 GLN A 104 -16.324 9.101 0.898 1.00 0.51 H new ATOM 0 HB3 GLN A 104 -15.544 10.000 2.184 1.00 0.51 H new ATOM 0 HG2 GLN A 104 -15.888 12.088 1.096 1.00 0.66 H new ATOM 0 HG3 GLN A 104 -16.256 11.325 -0.439 1.00 0.66 H new ATOM 0 HE21 GLN A 104 -18.308 12.379 -0.563 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -19.637 11.908 0.502 1.00 0.98 H new ATOM 1588 N GLU A 105 -12.512 8.477 1.437 1.00 0.36 N ATOM 1589 CA GLU A 105 -11.823 7.271 1.882 1.00 0.32 C ATOM 1590 C GLU A 105 -12.423 6.773 3.189 1.00 0.32 C ATOM 1591 O GLU A 105 -12.598 7.546 4.131 1.00 0.43 O ATOM 1592 CB GLU A 105 -10.323 7.530 2.069 1.00 0.40 C ATOM 1593 CG GLU A 105 -9.738 8.526 1.081 1.00 0.49 C ATOM 1594 CD GLU A 105 -9.847 9.953 1.574 1.00 0.99 C ATOM 1595 OE1 GLU A 105 -8.914 10.419 2.252 1.00 1.28 O ATOM 1596 OE2 GLU A 105 -10.861 10.615 1.272 1.00 1.59 O ATOM 0 H GLU A 105 -11.996 9.343 1.594 1.00 0.36 H new ATOM 0 HA GLU A 105 -11.950 6.510 1.112 1.00 0.32 H new ATOM 0 HB2 GLU A 105 -10.152 7.895 3.082 1.00 0.40 H new ATOM 0 HB3 GLU A 105 -9.788 6.585 1.976 1.00 0.40 H new ATOM 0 HG2 GLU A 105 -8.690 8.285 0.902 1.00 0.49 H new ATOM 0 HG3 GLU A 105 -10.254 8.433 0.126 1.00 0.49 H new ATOM 1603 N PHE A 106 -12.747 5.490 3.243 1.00 0.26 N ATOM 1604 CA PHE A 106 -13.344 4.911 4.441 1.00 0.27 C ATOM 1605 C PHE A 106 -12.359 4.024 5.189 1.00 0.26 C ATOM 1606 O PHE A 106 -12.611 3.628 6.323 1.00 0.29 O ATOM 1607 CB PHE A 106 -14.605 4.117 4.093 1.00 0.27 C ATOM 1608 CG PHE A 106 -14.416 3.089 3.011 1.00 0.26 C ATOM 1609 CD1 PHE A 106 -14.582 3.423 1.675 1.00 0.27 C ATOM 1610 CD2 PHE A 106 -14.058 1.790 3.331 1.00 0.28 C ATOM 1611 CE1 PHE A 106 -14.396 2.478 0.685 1.00 0.29 C ATOM 1612 CE2 PHE A 106 -13.870 0.846 2.345 1.00 0.31 C ATOM 1613 CZ PHE A 106 -14.096 1.196 1.004 1.00 0.31 C ATOM 0 H PHE A 106 -12.608 4.831 2.477 1.00 0.26 H new ATOM 0 HA PHE A 106 -13.617 5.739 5.096 1.00 0.27 H new ATOM 0 HB2 PHE A 106 -14.964 3.617 4.993 1.00 0.27 H new ATOM 0 HB3 PHE A 106 -15.384 4.814 3.783 1.00 0.27 H new ATOM 0 HD1 PHE A 106 -14.859 4.432 1.406 1.00 0.27 H new ATOM 0 HD2 PHE A 106 -13.924 1.513 4.366 1.00 0.28 H new ATOM 0 HE1 PHE A 106 -14.491 2.764 -0.352 1.00 0.29 H new ATOM 0 HE2 PHE A 106 -13.552 -0.154 2.601 1.00 0.31 H new ATOM 0 HZ PHE A 106 -14.031 0.446 0.230 1.00 0.31 H new ATOM 1623 N ILE A 107 -11.254 3.688 4.551 1.00 0.24 N ATOM 1624 CA ILE A 107 -10.229 2.890 5.200 1.00 0.24 C ATOM 1625 C ILE A 107 -8.874 3.139 4.557 1.00 0.22 C ATOM 1626 O ILE A 107 -8.781 3.386 3.352 1.00 0.25 O ATOM 1627 CB ILE A 107 -10.555 1.375 5.187 1.00 0.28 C ATOM 1628 CG1 ILE A 107 -9.574 0.617 6.092 1.00 0.29 C ATOM 1629 CG2 ILE A 107 -10.522 0.820 3.771 1.00 0.30 C ATOM 1630 CD1 ILE A 107 -9.776 -0.884 6.094 1.00 0.37 C ATOM 0 H ILE A 107 -11.043 3.953 3.589 1.00 0.24 H new ATOM 0 HA ILE A 107 -10.199 3.204 6.243 1.00 0.24 H new ATOM 0 HB ILE A 107 -11.565 1.237 5.573 1.00 0.28 H new ATOM 0 HG12 ILE A 107 -8.556 0.836 5.771 1.00 0.29 H new ATOM 0 HG13 ILE A 107 -9.674 0.989 7.112 1.00 0.29 H new ATOM 0 HG21 ILE A 107 -10.754 -0.245 3.792 1.00 0.30 H new ATOM 0 HG22 ILE A 107 -11.259 1.340 3.159 1.00 0.30 H new ATOM 0 HG23 ILE A 107 -9.529 0.966 3.346 1.00 0.30 H new ATOM 0 HD11 ILE A 107 -9.046 -1.349 6.756 1.00 0.37 H new ATOM 0 HD12 ILE A 107 -10.782 -1.115 6.444 1.00 0.37 H new ATOM 0 HD13 ILE A 107 -9.646 -1.270 5.083 1.00 0.37 H new ATOM 1642 N ARG A 108 -7.837 3.095 5.368 1.00 0.23 N ATOM 1643 CA ARG A 108 -6.483 3.251 4.896 1.00 0.24 C ATOM 1644 C ARG A 108 -5.567 2.259 5.600 1.00 0.24 C ATOM 1645 O ARG A 108 -5.431 2.287 6.827 1.00 0.29 O ATOM 1646 CB ARG A 108 -6.012 4.671 5.165 1.00 0.29 C ATOM 1647 CG ARG A 108 -4.576 4.919 4.761 1.00 0.34 C ATOM 1648 CD ARG A 108 -4.014 6.106 5.517 1.00 0.58 C ATOM 1649 NE ARG A 108 -4.111 5.923 6.968 1.00 0.60 N ATOM 1650 CZ ARG A 108 -3.600 6.783 7.854 1.00 0.88 C ATOM 1651 NH1 ARG A 108 -3.095 7.938 7.442 1.00 1.14 N ATOM 1652 NH2 ARG A 108 -3.631 6.505 9.154 1.00 0.95 N ATOM 0 H ARG A 108 -7.913 2.950 6.375 1.00 0.23 H new ATOM 0 HA ARG A 108 -6.453 3.057 3.824 1.00 0.24 H new ATOM 0 HB2 ARG A 108 -6.657 5.367 4.628 1.00 0.29 H new ATOM 0 HB3 ARG A 108 -6.124 4.887 6.227 1.00 0.29 H new ATOM 0 HG2 ARG A 108 -3.976 4.032 4.965 1.00 0.34 H new ATOM 0 HG3 ARG A 108 -4.520 5.103 3.688 1.00 0.34 H new ATOM 0 HD2 ARG A 108 -2.971 6.253 5.238 1.00 0.58 H new ATOM 0 HD3 ARG A 108 -4.552 7.009 5.228 1.00 0.58 H new ATOM 0 HE ARG A 108 -4.594 5.096 7.320 1.00 0.60 H new ATOM 0 HH11 ARG A 108 -3.097 8.170 6.449 1.00 1.14 H new ATOM 0 HH12 ARG A 108 -2.705 8.594 8.118 1.00 1.14 H new ATOM 0 HH21 ARG A 108 -4.046 5.632 9.479 1.00 0.95 H new ATOM 0 HH22 ARG A 108 -3.240 7.165 9.826 1.00 0.95 H new ATOM 1666 N VAL A 109 -4.956 1.383 4.824 1.00 0.22 N ATOM 1667 CA VAL A 109 -4.034 0.392 5.352 1.00 0.22 C ATOM 1668 C VAL A 109 -2.594 0.893 5.273 1.00 0.24 C ATOM 1669 O VAL A 109 -2.130 1.286 4.207 1.00 0.38 O ATOM 1670 CB VAL A 109 -4.147 -0.937 4.578 1.00 0.24 C ATOM 1671 CG1 VAL A 109 -3.055 -1.900 5.010 1.00 0.27 C ATOM 1672 CG2 VAL A 109 -5.522 -1.557 4.777 1.00 0.27 C ATOM 0 H VAL A 109 -5.084 1.337 3.813 1.00 0.22 H new ATOM 0 HA VAL A 109 -4.302 0.223 6.395 1.00 0.22 H new ATOM 0 HB VAL A 109 -4.018 -0.729 3.516 1.00 0.24 H new ATOM 0 HG11 VAL A 109 -3.151 -2.832 4.453 1.00 0.27 H new ATOM 0 HG12 VAL A 109 -2.079 -1.457 4.811 1.00 0.27 H new ATOM 0 HG13 VAL A 109 -3.150 -2.103 6.077 1.00 0.27 H new ATOM 0 HG21 VAL A 109 -5.582 -2.494 4.223 1.00 0.27 H new ATOM 0 HG22 VAL A 109 -5.684 -1.751 5.837 1.00 0.27 H new ATOM 0 HG23 VAL A 109 -6.287 -0.871 4.413 1.00 0.27 H new ATOM 1682 N GLY A 110 -1.902 0.885 6.402 1.00 0.22 N ATOM 1683 CA GLY A 110 -0.511 1.289 6.429 1.00 0.25 C ATOM 1684 C GLY A 110 0.422 0.138 6.751 1.00 0.21 C ATOM 1685 O GLY A 110 0.358 -0.439 7.835 1.00 0.27 O ATOM 0 H GLY A 110 -2.282 0.604 7.306 1.00 0.22 H new ATOM 0 HA2 GLY A 110 -0.240 1.712 5.462 1.00 0.25 H new ATOM 0 HA3 GLY A 110 -0.379 2.077 7.170 1.00 0.25 H new ATOM 1689 N TYR A 111 1.273 -0.209 5.804 1.00 0.23 N ATOM 1690 CA TYR A 111 2.276 -1.245 6.013 1.00 0.24 C ATOM 1691 C TYR A 111 3.672 -0.648 5.945 1.00 0.23 C ATOM 1692 O TYR A 111 4.009 0.063 5.001 1.00 0.27 O ATOM 1693 CB TYR A 111 2.118 -2.378 4.992 1.00 0.32 C ATOM 1694 CG TYR A 111 1.038 -3.369 5.361 1.00 0.27 C ATOM 1695 CD1 TYR A 111 1.122 -4.106 6.535 1.00 0.29 C ATOM 1696 CD2 TYR A 111 -0.066 -3.559 4.545 1.00 0.30 C ATOM 1697 CE1 TYR A 111 0.136 -5.006 6.884 1.00 0.32 C ATOM 1698 CE2 TYR A 111 -1.058 -4.456 4.887 1.00 0.32 C ATOM 1699 CZ TYR A 111 -0.953 -5.178 6.059 1.00 0.33 C ATOM 1700 OH TYR A 111 -1.939 -6.073 6.409 1.00 0.40 O ATOM 0 H TYR A 111 1.292 0.213 4.875 1.00 0.23 H new ATOM 0 HA TYR A 111 2.128 -1.669 7.006 1.00 0.24 H new ATOM 0 HB2 TYR A 111 1.890 -1.949 4.016 1.00 0.32 H new ATOM 0 HB3 TYR A 111 3.067 -2.905 4.895 1.00 0.32 H new ATOM 0 HD1 TYR A 111 1.973 -3.972 7.186 1.00 0.29 H new ATOM 0 HD2 TYR A 111 -0.152 -2.996 3.627 1.00 0.30 H new ATOM 0 HE1 TYR A 111 0.218 -5.573 7.800 1.00 0.32 H new ATOM 0 HE2 TYR A 111 -1.912 -4.592 4.241 1.00 0.32 H new ATOM 0 HH TYR A 111 -1.961 -6.806 5.759 1.00 0.40 H new ATOM 1710 N TYR A 112 4.477 -0.924 6.955 1.00 0.25 N ATOM 1711 CA TYR A 112 5.813 -0.352 7.038 1.00 0.25 C ATOM 1712 C TYR A 112 6.799 -1.145 6.194 1.00 0.27 C ATOM 1713 O TYR A 112 7.044 -2.319 6.450 1.00 0.33 O ATOM 1714 CB TYR A 112 6.292 -0.306 8.489 1.00 0.29 C ATOM 1715 CG TYR A 112 5.566 0.712 9.340 1.00 0.37 C ATOM 1716 CD1 TYR A 112 4.197 0.620 9.560 1.00 0.50 C ATOM 1717 CD2 TYR A 112 6.255 1.766 9.926 1.00 0.48 C ATOM 1718 CE1 TYR A 112 3.536 1.550 10.335 1.00 0.62 C ATOM 1719 CE2 TYR A 112 5.601 2.698 10.705 1.00 0.60 C ATOM 1720 CZ TYR A 112 4.242 2.586 10.906 1.00 0.64 C ATOM 1721 OH TYR A 112 3.589 3.515 11.682 1.00 0.78 O ATOM 0 H TYR A 112 4.231 -1.540 7.730 1.00 0.25 H new ATOM 0 HA TYR A 112 5.763 0.665 6.650 1.00 0.25 H new ATOM 0 HB2 TYR A 112 6.167 -1.293 8.934 1.00 0.29 H new ATOM 0 HB3 TYR A 112 7.359 -0.083 8.503 1.00 0.29 H new ATOM 0 HD1 TYR A 112 3.641 -0.193 9.117 1.00 0.50 H new ATOM 0 HD2 TYR A 112 7.320 1.857 9.769 1.00 0.48 H new ATOM 0 HE1 TYR A 112 2.471 1.466 10.493 1.00 0.62 H new ATOM 0 HE2 TYR A 112 6.151 3.511 11.155 1.00 0.60 H new ATOM 0 HH TYR A 112 4.232 4.178 12.010 1.00 0.78 H new ATOM 1731 N VAL A 113 7.359 -0.495 5.193 1.00 0.27 N ATOM 1732 CA VAL A 113 8.331 -1.120 4.325 1.00 0.31 C ATOM 1733 C VAL A 113 9.739 -0.845 4.819 1.00 0.28 C ATOM 1734 O VAL A 113 10.178 0.307 4.880 1.00 0.31 O ATOM 1735 CB VAL A 113 8.214 -0.612 2.878 1.00 0.42 C ATOM 1736 CG1 VAL A 113 9.286 -1.251 2.008 1.00 0.96 C ATOM 1737 CG2 VAL A 113 6.827 -0.891 2.325 1.00 1.19 C ATOM 0 H VAL A 113 7.153 0.477 4.961 1.00 0.27 H new ATOM 0 HA VAL A 113 8.128 -2.191 4.342 1.00 0.31 H new ATOM 0 HB VAL A 113 8.367 0.467 2.872 1.00 0.42 H new ATOM 0 HG11 VAL A 113 9.192 -0.883 0.986 1.00 0.96 H new ATOM 0 HG12 VAL A 113 10.271 -0.994 2.397 1.00 0.96 H new ATOM 0 HG13 VAL A 113 9.164 -2.334 2.016 1.00 0.96 H new ATOM 0 HG21 VAL A 113 6.763 -0.525 1.300 1.00 1.19 H new ATOM 0 HG22 VAL A 113 6.639 -1.965 2.339 1.00 1.19 H new ATOM 0 HG23 VAL A 113 6.082 -0.384 2.939 1.00 1.19 H new ATOM 1747 N ASN A 114 10.436 -1.900 5.191 1.00 0.29 N ATOM 1748 CA ASN A 114 11.834 -1.785 5.544 1.00 0.32 C ATOM 1749 C ASN A 114 12.684 -1.971 4.303 1.00 0.32 C ATOM 1750 O ASN A 114 12.794 -3.078 3.775 1.00 0.35 O ATOM 1751 CB ASN A 114 12.224 -2.817 6.610 1.00 0.42 C ATOM 1752 CG ASN A 114 11.456 -2.658 7.912 1.00 0.84 C ATOM 1753 OD1 ASN A 114 11.041 -1.440 8.224 1.00 1.63 O flip ATOM 1754 ND2 ASN A 114 11.232 -3.630 8.633 1.00 1.28 N flip ATOM 0 H ASN A 114 10.057 -2.845 5.256 1.00 0.29 H new ATOM 0 HA ASN A 114 12.006 -0.793 5.961 1.00 0.32 H new ATOM 0 HB2 ASN A 114 12.053 -3.819 6.216 1.00 0.42 H new ATOM 0 HB3 ASN A 114 13.292 -2.733 6.814 1.00 0.42 H new ATOM 0 HD21 ASN A 114 11.567 -4.554 8.361 1.00 1.28 H new ATOM 0 HD22 ASN A 114 10.711 -3.511 9.502 1.00 1.28 H new ATOM 1761 N ASN A 115 13.253 -0.880 3.823 1.00 0.34 N ATOM 1762 CA ASN A 115 14.081 -0.919 2.633 1.00 0.39 C ATOM 1763 C ASN A 115 15.527 -1.183 3.020 1.00 0.43 C ATOM 1764 O ASN A 115 16.198 -0.339 3.614 1.00 0.50 O ATOM 1765 CB ASN A 115 13.961 0.383 1.833 1.00 0.48 C ATOM 1766 CG ASN A 115 12.583 0.582 1.224 1.00 0.50 C ATOM 1767 OD1 ASN A 115 12.285 0.065 0.145 1.00 0.95 O ATOM 1768 ND2 ASN A 115 11.742 1.354 1.896 1.00 0.60 N ATOM 0 H ASN A 115 13.156 0.046 4.241 1.00 0.34 H new ATOM 0 HA ASN A 115 13.732 -1.730 1.994 1.00 0.39 H new ATOM 0 HB2 ASN A 115 14.189 1.226 2.485 1.00 0.48 H new ATOM 0 HB3 ASN A 115 14.707 0.384 1.038 1.00 0.48 H new ATOM 0 HD21 ASN A 115 10.811 1.539 1.524 1.00 0.60 H new ATOM 0 HD22 ASN A 115 12.026 1.764 2.786 1.00 0.60 H new ATOM 1775 N GLU A 116 15.985 -2.376 2.704 1.00 0.42 N ATOM 1776 CA GLU A 116 17.316 -2.822 3.069 1.00 0.50 C ATOM 1777 C GLU A 116 17.854 -3.761 2.002 1.00 0.45 C ATOM 1778 O GLU A 116 17.124 -4.598 1.492 1.00 0.54 O ATOM 1779 CB GLU A 116 17.274 -3.516 4.433 1.00 0.69 C ATOM 1780 CG GLU A 116 16.080 -4.445 4.604 1.00 1.26 C ATOM 1781 CD GLU A 116 16.039 -5.095 5.971 1.00 1.58 C ATOM 1782 OE1 GLU A 116 15.729 -4.394 6.959 1.00 1.87 O ATOM 1783 OE2 GLU A 116 16.335 -6.304 6.065 1.00 1.97 O ATOM 0 H GLU A 116 15.444 -3.067 2.185 1.00 0.42 H new ATOM 0 HA GLU A 116 17.982 -1.962 3.140 1.00 0.50 H new ATOM 0 HB2 GLU A 116 18.192 -4.088 4.570 1.00 0.69 H new ATOM 0 HB3 GLU A 116 17.251 -2.759 5.217 1.00 0.69 H new ATOM 0 HG2 GLU A 116 15.160 -3.882 4.446 1.00 1.26 H new ATOM 0 HG3 GLU A 116 16.115 -5.220 3.838 1.00 1.26 H new ATOM 1790 N TYR A 117 19.127 -3.612 1.659 1.00 0.46 N ATOM 1791 CA TYR A 117 19.732 -4.370 0.570 1.00 0.46 C ATOM 1792 C TYR A 117 19.640 -5.880 0.795 1.00 0.52 C ATOM 1793 O TYR A 117 19.488 -6.352 1.924 1.00 0.60 O ATOM 1794 CB TYR A 117 21.198 -3.975 0.411 1.00 0.48 C ATOM 1795 CG TYR A 117 21.421 -2.494 0.199 1.00 0.48 C ATOM 1796 CD1 TYR A 117 21.225 -1.913 -1.049 1.00 0.55 C ATOM 1797 CD2 TYR A 117 21.804 -1.669 1.249 1.00 0.54 C ATOM 1798 CE1 TYR A 117 21.408 -0.560 -1.243 1.00 0.61 C ATOM 1799 CE2 TYR A 117 21.985 -0.317 1.060 1.00 0.59 C ATOM 1800 CZ TYR A 117 21.872 0.219 -0.193 1.00 0.60 C ATOM 1801 OH TYR A 117 21.964 1.578 -0.374 1.00 0.69 O ATOM 0 H TYR A 117 19.766 -2.967 2.124 1.00 0.46 H new ATOM 0 HA TYR A 117 19.175 -4.131 -0.336 1.00 0.46 H new ATOM 0 HB2 TYR A 117 21.746 -4.290 1.299 1.00 0.48 H new ATOM 0 HB3 TYR A 117 21.620 -4.519 -0.434 1.00 0.48 H new ATOM 0 HD1 TYR A 117 20.924 -2.532 -1.881 1.00 0.55 H new ATOM 0 HD2 TYR A 117 21.962 -2.095 2.229 1.00 0.54 H new ATOM 0 HE1 TYR A 117 21.192 -0.112 -2.202 1.00 0.61 H new ATOM 0 HE2 TYR A 117 22.216 0.320 1.901 1.00 0.59 H new ATOM 0 HH TYR A 117 22.303 1.995 0.446 1.00 0.69 H new ATOM 1811 N THR A 118 19.760 -6.622 -0.294 1.00 0.54 N ATOM 1812 CA THR A 118 19.723 -8.075 -0.257 1.00 0.65 C ATOM 1813 C THR A 118 21.115 -8.606 0.014 1.00 0.74 C ATOM 1814 O THR A 118 21.307 -9.594 0.723 1.00 0.84 O ATOM 1815 CB THR A 118 19.233 -8.653 -1.602 1.00 0.67 C ATOM 1816 OG1 THR A 118 19.899 -7.987 -2.683 1.00 0.66 O ATOM 1817 CG2 THR A 118 17.731 -8.507 -1.765 1.00 0.77 C ATOM 0 H THR A 118 19.886 -6.234 -1.229 1.00 0.54 H new ATOM 0 HA THR A 118 19.034 -8.376 0.532 1.00 0.65 H new ATOM 0 HB THR A 118 19.469 -9.717 -1.613 1.00 0.67 H new ATOM 0 HG1 THR A 118 19.588 -8.356 -3.536 1.00 0.66 H new ATOM 0 HG21 THR A 118 17.427 -8.926 -2.724 1.00 0.77 H new ATOM 0 HG22 THR A 118 17.224 -9.039 -0.960 1.00 0.77 H new ATOM 0 HG23 THR A 118 17.462 -7.451 -1.728 1.00 0.77 H new ATOM 1825 N GLU A 119 22.088 -7.914 -0.555 1.00 0.78 N ATOM 1826 CA GLU A 119 23.468 -8.305 -0.462 1.00 0.92 C ATOM 1827 C GLU A 119 24.025 -7.948 0.909 1.00 0.95 C ATOM 1828 O GLU A 119 23.963 -6.793 1.336 1.00 0.90 O ATOM 1829 CB GLU A 119 24.236 -7.625 -1.593 1.00 1.00 C ATOM 1830 CG GLU A 119 25.731 -7.824 -1.537 1.00 1.29 C ATOM 1831 CD GLU A 119 26.361 -7.869 -2.915 1.00 1.50 C ATOM 1832 OE1 GLU A 119 26.312 -8.947 -3.549 1.00 1.67 O ATOM 1833 OE2 GLU A 119 26.889 -6.840 -3.378 1.00 2.24 O ATOM 0 H GLU A 119 21.933 -7.063 -1.095 1.00 0.78 H new ATOM 0 HA GLU A 119 23.571 -9.385 -0.570 1.00 0.92 H new ATOM 0 HB2 GLU A 119 23.866 -8.003 -2.546 1.00 1.00 H new ATOM 0 HB3 GLU A 119 24.023 -6.556 -1.570 1.00 1.00 H new ATOM 0 HG2 GLU A 119 26.181 -7.015 -0.961 1.00 1.29 H new ATOM 0 HG3 GLU A 119 25.952 -8.752 -1.009 1.00 1.29 H new ATOM 1840 N THR A 120 24.547 -8.958 1.596 1.00 1.07 N ATOM 1841 CA THR A 120 25.051 -8.806 2.952 1.00 1.14 C ATOM 1842 C THR A 120 26.082 -7.686 3.028 1.00 1.12 C ATOM 1843 O THR A 120 26.056 -6.872 3.948 1.00 1.13 O ATOM 1844 CB THR A 120 25.673 -10.126 3.447 1.00 1.31 C ATOM 1845 OG1 THR A 120 24.784 -11.212 3.153 1.00 1.36 O ATOM 1846 CG2 THR A 120 25.937 -10.079 4.945 1.00 1.41 C ATOM 0 H THR A 120 24.632 -9.905 1.226 1.00 1.07 H new ATOM 0 HA THR A 120 24.210 -8.547 3.595 1.00 1.14 H new ATOM 0 HB THR A 120 26.624 -10.272 2.935 1.00 1.31 H new ATOM 0 HG1 THR A 120 25.179 -12.052 3.466 1.00 1.36 H new ATOM 0 HG21 THR A 120 26.376 -11.023 5.267 1.00 1.41 H new ATOM 0 HG22 THR A 120 26.626 -9.264 5.168 1.00 1.41 H new ATOM 0 HG23 THR A 120 24.999 -9.916 5.475 1.00 1.41 H new ATOM 1854 N GLU A 121 26.961 -7.637 2.034 1.00 1.13 N ATOM 1855 CA GLU A 121 27.978 -6.599 1.941 1.00 1.14 C ATOM 1856 C GLU A 121 27.347 -5.211 2.000 1.00 1.03 C ATOM 1857 O GLU A 121 27.821 -4.337 2.722 1.00 1.09 O ATOM 1858 CB GLU A 121 28.763 -6.759 0.636 1.00 1.18 C ATOM 1859 CG GLU A 121 29.868 -5.730 0.444 1.00 1.27 C ATOM 1860 CD GLU A 121 30.973 -5.858 1.472 1.00 1.56 C ATOM 1861 OE1 GLU A 121 31.799 -6.786 1.351 1.00 2.21 O ATOM 1862 OE2 GLU A 121 31.022 -5.033 2.408 1.00 2.05 O ATOM 0 H GLU A 121 26.988 -8.314 1.272 1.00 1.13 H new ATOM 0 HA GLU A 121 28.655 -6.703 2.788 1.00 1.14 H new ATOM 0 HB2 GLU A 121 29.202 -7.756 0.609 1.00 1.18 H new ATOM 0 HB3 GLU A 121 28.070 -6.692 -0.203 1.00 1.18 H new ATOM 0 HG2 GLU A 121 30.292 -5.840 -0.554 1.00 1.27 H new ATOM 0 HG3 GLU A 121 29.440 -4.729 0.500 1.00 1.27 H new ATOM 1869 N LEU A 122 26.244 -5.025 1.280 1.00 0.90 N ATOM 1870 CA LEU A 122 25.632 -3.713 1.177 1.00 0.82 C ATOM 1871 C LEU A 122 24.847 -3.386 2.441 1.00 0.82 C ATOM 1872 O LEU A 122 24.516 -2.230 2.697 1.00 0.83 O ATOM 1873 CB LEU A 122 24.730 -3.660 -0.053 1.00 0.75 C ATOM 1874 CG LEU A 122 25.428 -4.019 -1.366 1.00 0.82 C ATOM 1875 CD1 LEU A 122 24.443 -4.008 -2.516 1.00 0.88 C ATOM 1876 CD2 LEU A 122 26.577 -3.065 -1.645 1.00 0.87 C ATOM 0 H LEU A 122 25.763 -5.762 0.765 1.00 0.90 H new ATOM 0 HA LEU A 122 26.416 -2.963 1.069 1.00 0.82 H new ATOM 0 HB2 LEU A 122 23.892 -4.341 0.097 1.00 0.75 H new ATOM 0 HB3 LEU A 122 24.314 -2.656 -0.140 1.00 0.75 H new ATOM 0 HG LEU A 122 25.834 -5.026 -1.268 1.00 0.82 H new ATOM 0 HD11 LEU A 122 24.960 -4.266 -3.440 1.00 0.88 H new ATOM 0 HD12 LEU A 122 23.654 -4.736 -2.326 1.00 0.88 H new ATOM 0 HD13 LEU A 122 24.005 -3.014 -2.610 1.00 0.88 H new ATOM 0 HD21 LEU A 122 27.058 -3.340 -2.584 1.00 0.87 H new ATOM 0 HD22 LEU A 122 26.195 -2.047 -1.718 1.00 0.87 H new ATOM 0 HD23 LEU A 122 27.303 -3.123 -0.834 1.00 0.87 H new ATOM 1888 N ARG A 123 24.549 -4.414 3.224 1.00 0.86 N ATOM 1889 CA ARG A 123 23.864 -4.234 4.497 1.00 0.94 C ATOM 1890 C ARG A 123 24.863 -3.860 5.582 1.00 1.11 C ATOM 1891 O ARG A 123 24.586 -3.015 6.433 1.00 1.19 O ATOM 1892 CB ARG A 123 23.135 -5.514 4.893 1.00 0.98 C ATOM 1893 CG ARG A 123 22.139 -5.984 3.855 1.00 0.89 C ATOM 1894 CD ARG A 123 21.480 -7.289 4.262 1.00 1.00 C ATOM 1895 NE ARG A 123 20.752 -7.165 5.524 1.00 1.20 N ATOM 1896 CZ ARG A 123 19.436 -6.969 5.610 1.00 1.56 C ATOM 1897 NH1 ARG A 123 18.703 -6.827 4.514 1.00 1.82 N ATOM 1898 NH2 ARG A 123 18.848 -6.894 6.793 1.00 2.03 N ATOM 0 H ARG A 123 24.772 -5.384 2.999 1.00 0.86 H new ATOM 0 HA ARG A 123 23.136 -3.430 4.386 1.00 0.94 H new ATOM 0 HB2 ARG A 123 23.868 -6.302 5.066 1.00 0.98 H new ATOM 0 HB3 ARG A 123 22.615 -5.350 5.837 1.00 0.98 H new ATOM 0 HG2 ARG A 123 21.375 -5.220 3.711 1.00 0.89 H new ATOM 0 HG3 ARG A 123 22.644 -6.114 2.898 1.00 0.89 H new ATOM 0 HD2 ARG A 123 20.794 -7.609 3.478 1.00 1.00 H new ATOM 0 HD3 ARG A 123 22.240 -8.065 4.357 1.00 1.00 H new ATOM 0 HE ARG A 123 21.284 -7.233 6.392 1.00 1.20 H new ATOM 0 HH11 ARG A 123 19.145 -6.867 3.596 1.00 1.82 H new ATOM 0 HH12 ARG A 123 17.697 -6.677 4.589 1.00 1.82 H new ATOM 0 HH21 ARG A 123 19.402 -6.986 7.645 1.00 2.03 H new ATOM 0 HH22 ARG A 123 17.841 -6.744 6.853 1.00 2.03 H new ATOM 1912 N GLU A 124 26.025 -4.502 5.539 1.00 1.20 N ATOM 1913 CA GLU A 124 27.080 -4.259 6.517 1.00 1.39 C ATOM 1914 C GLU A 124 27.568 -2.819 6.438 1.00 1.37 C ATOM 1915 O GLU A 124 27.837 -2.187 7.459 1.00 1.49 O ATOM 1916 CB GLU A 124 28.257 -5.209 6.288 1.00 1.53 C ATOM 1917 CG GLU A 124 27.884 -6.682 6.331 1.00 1.66 C ATOM 1918 CD GLU A 124 27.316 -7.112 7.671 1.00 2.03 C ATOM 1919 OE1 GLU A 124 28.107 -7.428 8.585 1.00 2.06 O ATOM 1920 OE2 GLU A 124 26.078 -7.116 7.824 1.00 2.84 O ATOM 0 H GLU A 124 26.261 -5.199 4.833 1.00 1.20 H new ATOM 0 HA GLU A 124 26.663 -4.439 7.508 1.00 1.39 H new ATOM 0 HB2 GLU A 124 28.706 -4.987 5.320 1.00 1.53 H new ATOM 0 HB3 GLU A 124 29.018 -5.016 7.044 1.00 1.53 H new ATOM 0 HG2 GLU A 124 27.153 -6.889 5.550 1.00 1.66 H new ATOM 0 HG3 GLU A 124 28.767 -7.281 6.108 1.00 1.66 H new ATOM 1927 N ASN A 125 27.681 -2.301 5.220 1.00 1.27 N ATOM 1928 CA ASN A 125 28.120 -0.932 5.018 1.00 1.30 C ATOM 1929 C ASN A 125 27.493 -0.351 3.757 1.00 1.14 C ATOM 1930 O ASN A 125 28.038 -0.474 2.660 1.00 1.10 O ATOM 1931 CB ASN A 125 29.663 -0.805 4.974 1.00 1.45 C ATOM 1932 CG ASN A 125 30.356 -1.691 3.939 1.00 1.58 C ATOM 1933 OD1 ASN A 125 29.977 -2.956 3.866 1.00 2.19 O flip ATOM 1934 ND2 ASN A 125 31.270 -1.245 3.248 1.00 1.62 N flip ATOM 0 H ASN A 125 27.474 -2.810 4.361 1.00 1.27 H new ATOM 0 HA ASN A 125 27.781 -0.356 5.879 1.00 1.30 H new ATOM 0 HB2 ASN A 125 29.921 0.234 4.771 1.00 1.45 H new ATOM 0 HB3 ASN A 125 30.060 -1.046 5.960 1.00 1.45 H new ATOM 0 HD21 ASN A 125 31.538 -0.264 3.328 1.00 1.62 H new ATOM 0 HD22 ASN A 125 31.760 -1.856 2.595 1.00 1.62 H new ATOM 1941 N PRO A 126 26.291 0.239 3.907 1.00 1.13 N ATOM 1942 CA PRO A 126 25.600 0.941 2.823 1.00 1.06 C ATOM 1943 C PRO A 126 26.516 1.887 2.056 1.00 1.09 C ATOM 1944 O PRO A 126 27.149 2.768 2.642 1.00 1.19 O ATOM 1945 CB PRO A 126 24.523 1.738 3.556 1.00 1.15 C ATOM 1946 CG PRO A 126 24.206 0.914 4.757 1.00 1.23 C ATOM 1947 CD PRO A 126 25.492 0.234 5.150 1.00 1.24 C ATOM 0 HA PRO A 126 25.216 0.248 2.074 1.00 1.06 H new ATOM 0 HB2 PRO A 126 24.883 2.728 3.837 1.00 1.15 H new ATOM 0 HB3 PRO A 126 23.642 1.885 2.931 1.00 1.15 H new ATOM 0 HG2 PRO A 126 23.831 1.537 5.569 1.00 1.23 H new ATOM 0 HG3 PRO A 126 23.431 0.181 4.533 1.00 1.23 H new ATOM 0 HD2 PRO A 126 25.998 0.770 5.953 1.00 1.24 H new ATOM 0 HD3 PRO A 126 25.315 -0.781 5.507 1.00 1.24 H new ATOM 1955 N PRO A 127 26.603 1.703 0.735 1.00 1.05 N ATOM 1956 CA PRO A 127 27.405 2.565 -0.141 1.00 1.13 C ATOM 1957 C PRO A 127 26.864 3.991 -0.141 1.00 1.19 C ATOM 1958 O PRO A 127 25.739 4.217 0.308 1.00 1.14 O ATOM 1959 CB PRO A 127 27.260 1.911 -1.522 1.00 1.11 C ATOM 1960 CG PRO A 127 26.799 0.521 -1.235 1.00 1.01 C ATOM 1961 CD PRO A 127 25.934 0.636 -0.021 1.00 0.97 C ATOM 0 HA PRO A 127 28.445 2.647 0.175 1.00 1.13 H new ATOM 0 HB2 PRO A 127 26.540 2.447 -2.141 1.00 1.11 H new ATOM 0 HB3 PRO A 127 28.207 1.911 -2.062 1.00 1.11 H new ATOM 0 HG2 PRO A 127 26.243 0.109 -2.077 1.00 1.01 H new ATOM 0 HG3 PRO A 127 27.643 -0.144 -1.055 1.00 1.01 H new ATOM 0 HD2 PRO A 127 24.907 0.899 -0.276 1.00 0.97 H new ATOM 0 HD3 PRO A 127 25.894 -0.297 0.540 1.00 0.97 H new ATOM 1969 N VAL A 128 27.670 4.944 -0.618 1.00 1.34 N ATOM 1970 CA VAL A 128 27.298 6.364 -0.593 1.00 1.44 C ATOM 1971 C VAL A 128 25.889 6.564 -1.100 1.00 1.22 C ATOM 1972 O VAL A 128 25.009 7.023 -0.374 1.00 1.28 O ATOM 1973 CB VAL A 128 28.223 7.224 -1.467 1.00 1.71 C ATOM 1974 CG1 VAL A 128 27.933 8.704 -1.269 1.00 1.92 C ATOM 1975 CG2 VAL A 128 29.665 6.912 -1.171 1.00 2.16 C ATOM 0 H VAL A 128 28.586 4.759 -1.027 1.00 1.34 H new ATOM 0 HA VAL A 128 27.385 6.675 0.448 1.00 1.44 H new ATOM 0 HB VAL A 128 28.030 6.984 -2.513 1.00 1.71 H new ATOM 0 HG11 VAL A 128 28.600 9.293 -1.898 1.00 1.92 H new ATOM 0 HG12 VAL A 128 26.899 8.912 -1.543 1.00 1.92 H new ATOM 0 HG13 VAL A 128 28.092 8.969 -0.224 1.00 1.92 H new ATOM 0 HG21 VAL A 128 30.307 7.530 -1.799 1.00 2.16 H new ATOM 0 HG22 VAL A 128 29.874 7.120 -0.122 1.00 2.16 H new ATOM 0 HG23 VAL A 128 29.859 5.860 -1.378 1.00 2.16 H new ATOM 1985 N LYS A 129 25.682 6.218 -2.352 1.00 1.07 N ATOM 1986 CA LYS A 129 24.377 6.331 -2.936 1.00 0.88 C ATOM 1987 C LYS A 129 23.627 5.022 -2.752 1.00 0.76 C ATOM 1988 O LYS A 129 24.148 3.959 -3.101 1.00 0.80 O ATOM 1989 CB LYS A 129 24.469 6.663 -4.426 1.00 1.00 C ATOM 1990 CG LYS A 129 25.154 7.981 -4.736 1.00 1.12 C ATOM 1991 CD LYS A 129 24.369 9.162 -4.198 1.00 1.29 C ATOM 1992 CE LYS A 129 24.836 10.465 -4.823 1.00 1.46 C ATOM 1993 NZ LYS A 129 24.634 10.473 -6.299 1.00 1.96 N ATOM 0 H LYS A 129 26.402 5.858 -2.978 1.00 1.07 H new ATOM 0 HA LYS A 129 23.844 7.140 -2.437 1.00 0.88 H new ATOM 0 HB2 LYS A 129 25.007 5.861 -4.931 1.00 1.00 H new ATOM 0 HB3 LYS A 129 23.462 6.684 -4.843 1.00 1.00 H new ATOM 0 HG2 LYS A 129 26.154 7.982 -4.303 1.00 1.12 H new ATOM 0 HG3 LYS A 129 25.273 8.084 -5.815 1.00 1.12 H new ATOM 0 HD2 LYS A 129 23.308 9.019 -4.401 1.00 1.29 H new ATOM 0 HD3 LYS A 129 24.483 9.214 -3.115 1.00 1.29 H new ATOM 0 HE2 LYS A 129 24.292 11.298 -4.377 1.00 1.46 H new ATOM 0 HE3 LYS A 129 25.892 10.618 -4.600 1.00 1.46 H new ATOM 0 HZ1 LYS A 129 24.114 11.331 -6.574 1.00 1.96 H new ATOM 0 HZ2 LYS A 129 25.558 10.460 -6.776 1.00 1.96 H new ATOM 0 HZ3 LYS A 129 24.088 9.633 -6.579 1.00 1.96 H new ATOM 2007 N PRO A 130 22.409 5.061 -2.191 1.00 0.66 N ATOM 2008 CA PRO A 130 21.594 3.864 -2.038 1.00 0.57 C ATOM 2009 C PRO A 130 21.262 3.248 -3.387 1.00 0.52 C ATOM 2010 O PRO A 130 21.158 3.949 -4.398 1.00 0.64 O ATOM 2011 CB PRO A 130 20.330 4.357 -1.339 1.00 0.55 C ATOM 2012 CG PRO A 130 20.292 5.820 -1.623 1.00 0.64 C ATOM 2013 CD PRO A 130 21.729 6.254 -1.663 1.00 0.71 C ATOM 0 HA PRO A 130 22.107 3.085 -1.475 1.00 0.57 H new ATOM 0 HB2 PRO A 130 19.442 3.855 -1.724 1.00 0.55 H new ATOM 0 HB3 PRO A 130 20.367 4.162 -0.267 1.00 0.55 H new ATOM 0 HG2 PRO A 130 19.793 6.024 -2.571 1.00 0.64 H new ATOM 0 HG3 PRO A 130 19.741 6.356 -0.851 1.00 0.64 H new ATOM 0 HD2 PRO A 130 21.873 7.121 -2.307 1.00 0.71 H new ATOM 0 HD3 PRO A 130 22.098 6.527 -0.674 1.00 0.71 H new ATOM 2021 N ASP A 131 21.085 1.946 -3.404 1.00 0.45 N ATOM 2022 CA ASP A 131 20.928 1.226 -4.654 1.00 0.45 C ATOM 2023 C ASP A 131 19.623 0.455 -4.663 1.00 0.39 C ATOM 2024 O ASP A 131 19.437 -0.490 -3.896 1.00 0.39 O ATOM 2025 CB ASP A 131 22.106 0.282 -4.886 1.00 0.53 C ATOM 2026 CG ASP A 131 22.123 -0.273 -6.293 1.00 0.82 C ATOM 2027 OD1 ASP A 131 21.483 -1.312 -6.536 1.00 1.28 O ATOM 2028 OD2 ASP A 131 22.781 0.333 -7.168 1.00 1.06 O ATOM 0 H ASP A 131 21.046 1.362 -2.569 1.00 0.45 H new ATOM 0 HA ASP A 131 20.907 1.953 -5.466 1.00 0.45 H new ATOM 0 HB2 ASP A 131 23.038 0.813 -4.695 1.00 0.53 H new ATOM 0 HB3 ASP A 131 22.056 -0.541 -4.173 1.00 0.53 H new ATOM 2033 N PHE A 132 18.722 0.869 -5.538 1.00 0.38 N ATOM 2034 CA PHE A 132 17.386 0.295 -5.608 1.00 0.35 C ATOM 2035 C PHE A 132 17.410 -1.083 -6.264 1.00 0.37 C ATOM 2036 O PHE A 132 16.513 -1.899 -6.048 1.00 0.38 O ATOM 2037 CB PHE A 132 16.454 1.239 -6.378 1.00 0.38 C ATOM 2038 CG PHE A 132 16.353 2.612 -5.765 1.00 0.38 C ATOM 2039 CD1 PHE A 132 17.355 3.551 -5.958 1.00 0.46 C ATOM 2040 CD2 PHE A 132 15.250 2.965 -5.003 1.00 0.35 C ATOM 2041 CE1 PHE A 132 17.257 4.812 -5.401 1.00 0.50 C ATOM 2042 CE2 PHE A 132 15.146 4.224 -4.447 1.00 0.40 C ATOM 2043 CZ PHE A 132 16.178 5.141 -4.622 1.00 0.46 C ATOM 0 H PHE A 132 18.894 1.610 -6.218 1.00 0.38 H new ATOM 0 HA PHE A 132 17.011 0.172 -4.592 1.00 0.35 H new ATOM 0 HB2 PHE A 132 16.811 1.333 -7.404 1.00 0.38 H new ATOM 0 HB3 PHE A 132 15.459 0.796 -6.425 1.00 0.38 H new ATOM 0 HD1 PHE A 132 18.221 3.294 -6.550 1.00 0.46 H new ATOM 0 HD2 PHE A 132 14.461 2.245 -4.842 1.00 0.35 H new ATOM 0 HE1 PHE A 132 18.033 5.541 -5.580 1.00 0.50 H new ATOM 0 HE2 PHE A 132 14.268 4.496 -3.879 1.00 0.40 H new ATOM 0 HZ PHE A 132 16.129 6.109 -4.146 1.00 0.46 H new ATOM 2053 N SER A 133 18.452 -1.347 -7.042 1.00 0.42 N ATOM 2054 CA SER A 133 18.578 -2.612 -7.756 1.00 0.47 C ATOM 2055 C SER A 133 18.929 -3.744 -6.792 1.00 0.48 C ATOM 2056 O SER A 133 18.619 -4.910 -7.039 1.00 0.62 O ATOM 2057 CB SER A 133 19.650 -2.490 -8.841 1.00 0.54 C ATOM 2058 OG SER A 133 19.472 -1.307 -9.609 1.00 1.46 O ATOM 0 H SER A 133 19.225 -0.699 -7.195 1.00 0.42 H new ATOM 0 HA SER A 133 17.621 -2.846 -8.223 1.00 0.47 H new ATOM 0 HB2 SER A 133 20.638 -2.483 -8.381 1.00 0.54 H new ATOM 0 HB3 SER A 133 19.610 -3.361 -9.495 1.00 0.54 H new ATOM 0 HG SER A 133 20.171 -1.253 -10.294 1.00 1.46 H new ATOM 2064 N LYS A 134 19.531 -3.385 -5.669 1.00 0.40 N ATOM 2065 CA LYS A 134 19.983 -4.362 -4.690 1.00 0.43 C ATOM 2066 C LYS A 134 19.105 -4.282 -3.470 1.00 0.39 C ATOM 2067 O LYS A 134 19.357 -4.928 -2.455 1.00 0.46 O ATOM 2068 CB LYS A 134 21.430 -4.089 -4.286 1.00 0.48 C ATOM 2069 CG LYS A 134 22.452 -4.471 -5.342 1.00 0.65 C ATOM 2070 CD LYS A 134 22.501 -5.974 -5.561 1.00 0.78 C ATOM 2071 CE LYS A 134 23.599 -6.346 -6.540 1.00 1.00 C ATOM 2072 NZ LYS A 134 23.702 -7.813 -6.733 1.00 1.87 N ATOM 0 H LYS A 134 19.719 -2.416 -5.411 1.00 0.40 H new ATOM 0 HA LYS A 134 19.924 -5.356 -5.133 1.00 0.43 H new ATOM 0 HB2 LYS A 134 21.538 -3.029 -4.058 1.00 0.48 H new ATOM 0 HB3 LYS A 134 21.649 -4.636 -3.369 1.00 0.48 H new ATOM 0 HG2 LYS A 134 22.208 -3.974 -6.281 1.00 0.65 H new ATOM 0 HG3 LYS A 134 23.437 -4.115 -5.040 1.00 0.65 H new ATOM 0 HD2 LYS A 134 22.671 -6.478 -4.610 1.00 0.78 H new ATOM 0 HD3 LYS A 134 21.539 -6.322 -5.939 1.00 0.78 H new ATOM 0 HE2 LYS A 134 23.405 -5.867 -7.500 1.00 1.00 H new ATOM 0 HE3 LYS A 134 24.552 -5.961 -6.178 1.00 1.00 H new ATOM 0 HZ1 LYS A 134 24.464 -8.022 -7.409 1.00 1.87 H new ATOM 0 HZ2 LYS A 134 23.913 -8.269 -5.822 1.00 1.87 H new ATOM 0 HZ3 LYS A 134 22.801 -8.179 -7.103 1.00 1.87 H new ATOM 2086 N LEU A 135 18.069 -3.485 -3.588 1.00 0.41 N ATOM 2087 CA LEU A 135 17.250 -3.150 -2.456 1.00 0.40 C ATOM 2088 C LEU A 135 16.144 -4.178 -2.259 1.00 0.41 C ATOM 2089 O LEU A 135 15.461 -4.566 -3.209 1.00 0.46 O ATOM 2090 CB LEU A 135 16.671 -1.755 -2.659 1.00 0.41 C ATOM 2091 CG LEU A 135 16.239 -1.055 -1.386 1.00 0.36 C ATOM 2092 CD1 LEU A 135 17.412 -0.940 -0.421 1.00 0.79 C ATOM 2093 CD2 LEU A 135 15.667 0.318 -1.704 1.00 0.74 C ATOM 0 H LEU A 135 17.775 -3.056 -4.465 1.00 0.41 H new ATOM 0 HA LEU A 135 17.861 -3.158 -1.554 1.00 0.40 H new ATOM 0 HB2 LEU A 135 17.415 -1.138 -3.162 1.00 0.41 H new ATOM 0 HB3 LEU A 135 15.813 -1.827 -3.327 1.00 0.41 H new ATOM 0 HG LEU A 135 15.459 -1.648 -0.909 1.00 0.36 H new ATOM 0 HD11 LEU A 135 17.087 -0.435 0.489 1.00 0.79 H new ATOM 0 HD12 LEU A 135 17.777 -1.936 -0.172 1.00 0.79 H new ATOM 0 HD13 LEU A 135 18.212 -0.366 -0.888 1.00 0.79 H new ATOM 0 HD21 LEU A 135 15.361 0.808 -0.779 1.00 0.74 H new ATOM 0 HD22 LEU A 135 16.426 0.922 -2.201 1.00 0.74 H new ATOM 0 HD23 LEU A 135 14.803 0.209 -2.360 1.00 0.74 H new ATOM 2105 N GLN A 136 15.999 -4.631 -1.026 1.00 0.40 N ATOM 2106 CA GLN A 136 14.974 -5.589 -0.658 1.00 0.41 C ATOM 2107 C GLN A 136 13.941 -4.907 0.222 1.00 0.38 C ATOM 2108 O GLN A 136 14.286 -4.105 1.091 1.00 0.44 O ATOM 2109 CB GLN A 136 15.599 -6.767 0.090 1.00 0.46 C ATOM 2110 CG GLN A 136 14.617 -7.865 0.450 1.00 0.58 C ATOM 2111 CD GLN A 136 15.241 -8.961 1.289 1.00 0.79 C ATOM 2112 OE1 GLN A 136 15.737 -9.959 0.762 1.00 1.63 O ATOM 2113 NE2 GLN A 136 15.228 -8.781 2.601 1.00 0.72 N ATOM 0 H GLN A 136 16.593 -4.342 -0.249 1.00 0.40 H new ATOM 0 HA GLN A 136 14.492 -5.965 -1.561 1.00 0.41 H new ATOM 0 HB2 GLN A 136 16.394 -7.192 -0.523 1.00 0.46 H new ATOM 0 HB3 GLN A 136 16.065 -6.397 1.004 1.00 0.46 H new ATOM 0 HG2 GLN A 136 13.778 -7.431 0.994 1.00 0.58 H new ATOM 0 HG3 GLN A 136 14.214 -8.299 -0.465 1.00 0.58 H new ATOM 0 HE21 GLN A 136 14.807 -7.940 2.996 1.00 0.72 H new ATOM 0 HE22 GLN A 136 15.639 -9.483 3.216 1.00 0.72 H new ATOM 2122 N ARG A 137 12.682 -5.210 -0.016 1.00 0.36 N ATOM 2123 CA ARG A 137 11.608 -4.635 0.764 1.00 0.35 C ATOM 2124 C ARG A 137 11.096 -5.639 1.785 1.00 0.35 C ATOM 2125 O ARG A 137 10.554 -6.686 1.424 1.00 0.39 O ATOM 2126 CB ARG A 137 10.473 -4.190 -0.148 1.00 0.43 C ATOM 2127 CG ARG A 137 10.882 -3.141 -1.161 1.00 1.02 C ATOM 2128 CD ARG A 137 9.681 -2.650 -1.937 1.00 1.29 C ATOM 2129 NE ARG A 137 8.889 -3.760 -2.459 1.00 1.00 N ATOM 2130 CZ ARG A 137 8.558 -3.903 -3.728 1.00 1.85 C ATOM 2131 NH1 ARG A 137 8.900 -2.984 -4.618 1.00 2.82 N ATOM 2132 NH2 ARG A 137 7.876 -4.964 -4.108 1.00 2.05 N ATOM 0 H ARG A 137 12.377 -5.854 -0.746 1.00 0.36 H new ATOM 0 HA ARG A 137 11.994 -3.765 1.295 1.00 0.35 H new ATOM 0 HB2 ARG A 137 10.081 -5.059 -0.676 1.00 0.43 H new ATOM 0 HB3 ARG A 137 9.661 -3.795 0.463 1.00 0.43 H new ATOM 0 HG2 ARG A 137 11.359 -2.304 -0.652 1.00 1.02 H new ATOM 0 HG3 ARG A 137 11.619 -3.559 -1.847 1.00 1.02 H new ATOM 0 HD2 ARG A 137 9.059 -2.030 -1.292 1.00 1.29 H new ATOM 0 HD3 ARG A 137 10.013 -2.019 -2.762 1.00 1.29 H new ATOM 0 HE ARG A 137 8.571 -4.471 -1.800 1.00 1.00 H new ATOM 0 HH11 ARG A 137 9.423 -2.159 -4.324 1.00 2.82 H new ATOM 0 HH12 ARG A 137 8.641 -3.101 -5.597 1.00 2.82 H new ATOM 0 HH21 ARG A 137 7.607 -5.670 -3.422 1.00 2.05 H new ATOM 0 HH22 ARG A 137 7.617 -5.080 -5.088 1.00 2.05 H new ATOM 2146 N ASN A 138 11.313 -5.326 3.053 1.00 0.35 N ATOM 2147 CA ASN A 138 10.787 -6.127 4.147 1.00 0.39 C ATOM 2148 C ASN A 138 9.552 -5.443 4.718 1.00 0.39 C ATOM 2149 O ASN A 138 9.655 -4.534 5.542 1.00 0.49 O ATOM 2150 CB ASN A 138 11.851 -6.317 5.237 1.00 0.45 C ATOM 2151 CG ASN A 138 11.367 -7.173 6.398 1.00 0.52 C ATOM 2152 OD1 ASN A 138 10.823 -6.538 7.426 1.00 0.84 O flip ATOM 2153 ND2 ASN A 138 11.501 -8.396 6.382 1.00 0.67 N flip ATOM 0 H ASN A 138 11.855 -4.515 3.351 1.00 0.35 H new ATOM 0 HA ASN A 138 10.513 -7.113 3.772 1.00 0.39 H new ATOM 0 HB2 ASN A 138 12.735 -6.778 4.797 1.00 0.45 H new ATOM 0 HB3 ASN A 138 12.155 -5.341 5.615 1.00 0.45 H new ATOM 0 HD21 ASN A 138 11.924 -8.852 5.574 1.00 0.67 H new ATOM 0 HD22 ASN A 138 11.189 -8.954 7.177 1.00 0.67 H new ATOM 2160 N ILE A 139 8.389 -5.849 4.242 1.00 0.37 N ATOM 2161 CA ILE A 139 7.143 -5.227 4.652 1.00 0.36 C ATOM 2162 C ILE A 139 6.648 -5.820 5.958 1.00 0.37 C ATOM 2163 O ILE A 139 6.367 -7.012 6.048 1.00 0.46 O ATOM 2164 CB ILE A 139 6.055 -5.393 3.578 1.00 0.39 C ATOM 2165 CG1 ILE A 139 6.601 -4.973 2.216 1.00 0.42 C ATOM 2166 CG2 ILE A 139 4.827 -4.571 3.940 1.00 0.43 C ATOM 2167 CD1 ILE A 139 5.626 -5.180 1.077 1.00 0.48 C ATOM 0 H ILE A 139 8.281 -6.608 3.570 1.00 0.37 H new ATOM 0 HA ILE A 139 7.344 -4.165 4.790 1.00 0.36 H new ATOM 0 HB ILE A 139 5.762 -6.442 3.528 1.00 0.39 H new ATOM 0 HG12 ILE A 139 6.880 -3.920 2.256 1.00 0.42 H new ATOM 0 HG13 ILE A 139 7.511 -5.537 2.010 1.00 0.42 H new ATOM 0 HG21 ILE A 139 4.065 -4.698 3.171 1.00 0.43 H new ATOM 0 HG22 ILE A 139 4.434 -4.907 4.900 1.00 0.43 H new ATOM 0 HG23 ILE A 139 5.101 -3.518 4.009 1.00 0.43 H new ATOM 0 HD11 ILE A 139 6.085 -4.859 0.142 1.00 0.48 H new ATOM 0 HD12 ILE A 139 5.365 -6.236 1.009 1.00 0.48 H new ATOM 0 HD13 ILE A 139 4.725 -4.594 1.259 1.00 0.48 H new ATOM 2179 N LEU A 140 6.542 -4.977 6.964 1.00 0.35 N ATOM 2180 CA LEU A 140 6.076 -5.400 8.272 1.00 0.39 C ATOM 2181 C LEU A 140 4.579 -5.686 8.240 1.00 0.36 C ATOM 2182 O LEU A 140 3.761 -4.806 8.509 1.00 0.37 O ATOM 2183 CB LEU A 140 6.389 -4.338 9.329 1.00 0.47 C ATOM 2184 CG LEU A 140 7.875 -4.041 9.535 1.00 0.54 C ATOM 2185 CD1 LEU A 140 8.058 -2.928 10.551 1.00 0.88 C ATOM 2186 CD2 LEU A 140 8.613 -5.296 9.979 1.00 0.99 C ATOM 0 H LEU A 140 6.774 -3.986 6.901 1.00 0.35 H new ATOM 0 HA LEU A 140 6.601 -6.317 8.538 1.00 0.39 H new ATOM 0 HB2 LEU A 140 5.885 -3.412 9.051 1.00 0.47 H new ATOM 0 HB3 LEU A 140 5.964 -4.659 10.280 1.00 0.47 H new ATOM 0 HG LEU A 140 8.296 -3.713 8.585 1.00 0.54 H new ATOM 0 HD11 LEU A 140 9.121 -2.729 10.686 1.00 0.88 H new ATOM 0 HD12 LEU A 140 7.562 -2.025 10.195 1.00 0.88 H new ATOM 0 HD13 LEU A 140 7.622 -3.229 11.503 1.00 0.88 H new ATOM 0 HD21 LEU A 140 9.669 -5.066 10.121 1.00 0.99 H new ATOM 0 HD22 LEU A 140 8.190 -5.654 10.918 1.00 0.99 H new ATOM 0 HD23 LEU A 140 8.509 -6.068 9.217 1.00 0.99 H new ATOM 2198 N ALA A 141 4.227 -6.916 7.889 1.00 0.39 N ATOM 2199 CA ALA A 141 2.832 -7.324 7.822 1.00 0.42 C ATOM 2200 C ALA A 141 2.279 -7.586 9.214 1.00 0.49 C ATOM 2201 O ALA A 141 1.066 -7.630 9.414 1.00 0.55 O ATOM 2202 CB ALA A 141 2.686 -8.556 6.945 1.00 0.48 C ATOM 0 H ALA A 141 4.892 -7.650 7.646 1.00 0.39 H new ATOM 0 HA ALA A 141 2.256 -6.512 7.378 1.00 0.42 H new ATOM 0 HB1 ALA A 141 1.637 -8.851 6.903 1.00 0.48 H new ATOM 0 HB2 ALA A 141 3.040 -8.330 5.939 1.00 0.48 H new ATOM 0 HB3 ALA A 141 3.276 -9.372 7.363 1.00 0.48 H new ATOM 2208 N SER A 142 3.178 -7.754 10.177 1.00 0.52 N ATOM 2209 CA SER A 142 2.785 -7.931 11.564 1.00 0.62 C ATOM 2210 C SER A 142 2.564 -6.574 12.226 1.00 0.61 C ATOM 2211 O SER A 142 2.269 -6.487 13.416 1.00 0.70 O ATOM 2212 CB SER A 142 3.847 -8.732 12.317 1.00 0.72 C ATOM 2213 OG SER A 142 4.043 -10.004 11.715 1.00 1.42 O ATOM 0 H SER A 142 4.186 -7.771 10.019 1.00 0.52 H new ATOM 0 HA SER A 142 1.848 -8.487 11.597 1.00 0.62 H new ATOM 0 HB2 SER A 142 4.787 -8.180 12.325 1.00 0.72 H new ATOM 0 HB3 SER A 142 3.543 -8.860 13.356 1.00 0.72 H new ATOM 0 HG SER A 142 4.728 -10.499 12.212 1.00 1.42 H new ATOM 2219 N ASN A 143 2.706 -5.517 11.436 1.00 0.56 N ATOM 2220 CA ASN A 143 2.442 -4.161 11.901 1.00 0.60 C ATOM 2221 C ASN A 143 1.466 -3.468 10.959 1.00 0.49 C ATOM 2222 O ASN A 143 1.851 -2.581 10.199 1.00 0.49 O ATOM 2223 CB ASN A 143 3.740 -3.348 11.999 1.00 0.74 C ATOM 2224 CG ASN A 143 4.605 -3.757 13.174 1.00 1.25 C ATOM 2225 OD1 ASN A 143 5.473 -4.734 12.961 1.00 1.87 O flip ATOM 2226 ND2 ASN A 143 4.494 -3.197 14.266 1.00 1.91 N flip ATOM 0 H ASN A 143 3.005 -5.574 10.462 1.00 0.56 H new ATOM 0 HA ASN A 143 2.002 -4.223 12.896 1.00 0.60 H new ATOM 0 HB2 ASN A 143 4.308 -3.468 11.077 1.00 0.74 H new ATOM 0 HB3 ASN A 143 3.494 -2.290 12.086 1.00 0.74 H new ATOM 0 HD21 ASN A 143 3.812 -2.448 14.388 1.00 1.91 H new ATOM 0 HD22 ASN A 143 5.084 -3.482 15.048 1.00 1.91 H new ATOM 2233 N PRO A 144 0.190 -3.889 10.971 1.00 0.48 N ATOM 2234 CA PRO A 144 -0.830 -3.333 10.100 1.00 0.43 C ATOM 2235 C PRO A 144 -1.467 -2.080 10.686 1.00 0.39 C ATOM 2236 O PRO A 144 -2.250 -2.151 11.638 1.00 0.51 O ATOM 2237 CB PRO A 144 -1.872 -4.459 9.993 1.00 0.52 C ATOM 2238 CG PRO A 144 -1.426 -5.538 10.935 1.00 0.66 C ATOM 2239 CD PRO A 144 -0.372 -4.935 11.822 1.00 0.60 C ATOM 0 HA PRO A 144 -0.417 -3.026 9.139 1.00 0.43 H new ATOM 0 HB2 PRO A 144 -2.865 -4.096 10.260 1.00 0.52 H new ATOM 0 HB3 PRO A 144 -1.934 -4.836 8.972 1.00 0.52 H new ATOM 0 HG2 PRO A 144 -2.265 -5.905 11.527 1.00 0.66 H new ATOM 0 HG3 PRO A 144 -1.027 -6.390 10.385 1.00 0.66 H new ATOM 0 HD2 PRO A 144 -0.797 -4.528 12.740 1.00 0.60 H new ATOM 0 HD3 PRO A 144 0.380 -5.667 12.116 1.00 0.60 H new ATOM 2247 N ARG A 145 -1.116 -0.935 10.123 1.00 0.32 N ATOM 2248 CA ARG A 145 -1.715 0.327 10.516 1.00 0.33 C ATOM 2249 C ARG A 145 -3.077 0.488 9.866 1.00 0.30 C ATOM 2250 O ARG A 145 -3.212 1.123 8.822 1.00 0.33 O ATOM 2251 CB ARG A 145 -0.803 1.500 10.143 1.00 0.41 C ATOM 2252 CG ARG A 145 0.244 1.805 11.197 1.00 0.98 C ATOM 2253 CD ARG A 145 -0.397 2.328 12.471 1.00 1.21 C ATOM 2254 NE ARG A 145 -0.871 3.704 12.324 1.00 1.63 N ATOM 2255 CZ ARG A 145 -2.077 4.124 12.696 1.00 2.42 C ATOM 2256 NH1 ARG A 145 -2.960 3.271 13.198 1.00 3.00 N ATOM 2257 NH2 ARG A 145 -2.400 5.403 12.560 1.00 3.15 N ATOM 0 H ARG A 145 -0.414 -0.856 9.387 1.00 0.32 H new ATOM 0 HA ARG A 145 -1.842 0.325 11.599 1.00 0.33 H new ATOM 0 HB2 ARG A 145 -0.305 1.278 9.199 1.00 0.41 H new ATOM 0 HB3 ARG A 145 -1.413 2.388 9.980 1.00 0.41 H new ATOM 0 HG2 ARG A 145 0.815 0.903 11.418 1.00 0.98 H new ATOM 0 HG3 ARG A 145 0.948 2.542 10.812 1.00 0.98 H new ATOM 0 HD2 ARG A 145 -1.233 1.685 12.746 1.00 1.21 H new ATOM 0 HD3 ARG A 145 0.325 2.279 13.286 1.00 1.21 H new ATOM 0 HE ARG A 145 -0.236 4.386 11.909 1.00 1.63 H new ATOM 0 HH11 ARG A 145 -2.716 2.286 13.301 1.00 3.00 H new ATOM 0 HH12 ARG A 145 -3.883 3.600 13.481 1.00 3.00 H new ATOM 0 HH21 ARG A 145 -1.725 6.061 12.171 1.00 3.15 H new ATOM 0 HH22 ARG A 145 -3.324 5.729 12.844 1.00 3.15 H new ATOM 2271 N VAL A 146 -4.079 -0.124 10.467 1.00 0.36 N ATOM 2272 CA VAL A 146 -5.425 -0.053 9.940 1.00 0.39 C ATOM 2273 C VAL A 146 -6.138 1.166 10.496 1.00 0.40 C ATOM 2274 O VAL A 146 -6.547 1.186 11.659 1.00 0.43 O ATOM 2275 CB VAL A 146 -6.237 -1.321 10.282 1.00 0.47 C ATOM 2276 CG1 VAL A 146 -7.629 -1.258 9.666 1.00 1.14 C ATOM 2277 CG2 VAL A 146 -5.505 -2.571 9.816 1.00 1.11 C ATOM 0 H VAL A 146 -3.985 -0.675 11.320 1.00 0.36 H new ATOM 0 HA VAL A 146 -5.350 0.023 8.855 1.00 0.39 H new ATOM 0 HB VAL A 146 -6.345 -1.369 11.366 1.00 0.47 H new ATOM 0 HG11 VAL A 146 -8.181 -2.162 9.921 1.00 1.14 H new ATOM 0 HG12 VAL A 146 -8.159 -0.388 10.053 1.00 1.14 H new ATOM 0 HG13 VAL A 146 -7.544 -1.179 8.582 1.00 1.14 H new ATOM 0 HG21 VAL A 146 -6.095 -3.453 10.067 1.00 1.11 H new ATOM 0 HG22 VAL A 146 -5.360 -2.527 8.737 1.00 1.11 H new ATOM 0 HG23 VAL A 146 -4.535 -2.630 10.310 1.00 1.11 H new ATOM 2287 N THR A 147 -6.255 2.192 9.675 1.00 0.40 N ATOM 2288 CA THR A 147 -7.005 3.371 10.050 1.00 0.42 C ATOM 2289 C THR A 147 -8.247 3.483 9.192 1.00 0.35 C ATOM 2290 O THR A 147 -8.166 3.792 8.006 1.00 0.33 O ATOM 2291 CB THR A 147 -6.159 4.647 9.887 1.00 0.47 C ATOM 2292 OG1 THR A 147 -4.877 4.462 10.502 1.00 0.56 O ATOM 2293 CG2 THR A 147 -6.856 5.844 10.516 1.00 0.52 C ATOM 0 H THR A 147 -5.840 2.231 8.744 1.00 0.40 H new ATOM 0 HA THR A 147 -7.283 3.272 11.099 1.00 0.42 H new ATOM 0 HB THR A 147 -6.031 4.839 8.822 1.00 0.47 H new ATOM 0 HG1 THR A 147 -4.313 3.910 9.922 1.00 0.56 H new ATOM 0 HG21 THR A 147 -6.239 6.733 10.388 1.00 0.52 H new ATOM 0 HG22 THR A 147 -7.820 5.999 10.032 1.00 0.52 H new ATOM 0 HG23 THR A 147 -7.009 5.659 11.579 1.00 0.52 H new ATOM 2301 N ARG A 148 -9.392 3.216 9.783 1.00 0.38 N ATOM 2302 CA ARG A 148 -10.635 3.336 9.059 1.00 0.34 C ATOM 2303 C ARG A 148 -11.348 4.621 9.444 1.00 0.37 C ATOM 2304 O ARG A 148 -11.275 5.081 10.584 1.00 0.47 O ATOM 2305 CB ARG A 148 -11.533 2.114 9.274 1.00 0.42 C ATOM 2306 CG ARG A 148 -11.682 1.688 10.723 1.00 0.57 C ATOM 2307 CD ARG A 148 -12.524 0.429 10.832 1.00 0.88 C ATOM 2308 NE ARG A 148 -12.422 -0.198 12.145 1.00 1.48 N ATOM 2309 CZ ARG A 148 -13.155 -1.244 12.529 1.00 2.08 C ATOM 2310 NH1 ARG A 148 -14.128 -1.703 11.749 1.00 2.11 N ATOM 2311 NH2 ARG A 148 -12.932 -1.810 13.706 1.00 3.00 N ATOM 0 H ARG A 148 -9.486 2.917 10.754 1.00 0.38 H new ATOM 0 HA ARG A 148 -10.404 3.378 7.995 1.00 0.34 H new ATOM 0 HB2 ARG A 148 -12.522 2.330 8.869 1.00 0.42 H new ATOM 0 HB3 ARG A 148 -11.130 1.278 8.703 1.00 0.42 H new ATOM 0 HG2 ARG A 148 -10.698 1.511 11.158 1.00 0.57 H new ATOM 0 HG3 ARG A 148 -12.145 2.491 11.297 1.00 0.57 H new ATOM 0 HD2 ARG A 148 -13.567 0.674 10.630 1.00 0.88 H new ATOM 0 HD3 ARG A 148 -12.210 -0.282 10.068 1.00 0.88 H new ATOM 0 HE ARG A 148 -11.750 0.186 12.809 1.00 1.48 H new ATOM 0 HH11 ARG A 148 -14.317 -1.255 10.852 1.00 2.11 H new ATOM 0 HH12 ARG A 148 -14.686 -2.503 12.047 1.00 2.11 H new ATOM 0 HH21 ARG A 148 -12.201 -1.446 14.317 1.00 3.00 H new ATOM 0 HH22 ARG A 148 -13.492 -2.610 14.001 1.00 3.00 H new ATOM 2325 N PHE A 149 -12.013 5.196 8.469 1.00 0.33 N ATOM 2326 CA PHE A 149 -12.643 6.492 8.608 1.00 0.36 C ATOM 2327 C PHE A 149 -14.159 6.351 8.609 1.00 0.38 C ATOM 2328 O PHE A 149 -14.695 5.291 8.277 1.00 0.46 O ATOM 2329 CB PHE A 149 -12.221 7.386 7.438 1.00 0.36 C ATOM 2330 CG PHE A 149 -10.739 7.390 7.176 1.00 0.36 C ATOM 2331 CD1 PHE A 149 -9.890 8.142 7.973 1.00 0.43 C ATOM 2332 CD2 PHE A 149 -10.195 6.646 6.140 1.00 0.33 C ATOM 2333 CE1 PHE A 149 -8.530 8.153 7.744 1.00 0.46 C ATOM 2334 CE2 PHE A 149 -8.832 6.655 5.906 1.00 0.34 C ATOM 2335 CZ PHE A 149 -8.005 7.384 6.675 1.00 0.40 C ATOM 0 H PHE A 149 -12.134 4.775 7.548 1.00 0.33 H new ATOM 0 HA PHE A 149 -12.330 6.936 9.553 1.00 0.36 H new ATOM 0 HB2 PHE A 149 -12.738 7.056 6.537 1.00 0.36 H new ATOM 0 HB3 PHE A 149 -12.547 8.407 7.638 1.00 0.36 H new ATOM 0 HD1 PHE A 149 -10.299 8.727 8.784 1.00 0.43 H new ATOM 0 HD2 PHE A 149 -10.842 6.054 5.510 1.00 0.33 H new ATOM 0 HE1 PHE A 149 -7.874 8.739 8.370 1.00 0.46 H new ATOM 0 HE2 PHE A 149 -8.427 6.069 5.095 1.00 0.34 H new ATOM 0 HZ PHE A 149 -6.943 7.384 6.479 1.00 0.40 H new ATOM 2345 N HIS A 150 -14.848 7.417 8.981 1.00 0.47 N ATOM 2346 CA HIS A 150 -16.298 7.453 8.879 1.00 0.51 C ATOM 2347 C HIS A 150 -16.703 8.275 7.664 1.00 0.52 C ATOM 2348 O HIS A 150 -16.284 9.422 7.521 1.00 0.60 O ATOM 2349 CB HIS A 150 -16.928 8.045 10.145 1.00 0.64 C ATOM 2350 CG HIS A 150 -18.416 8.213 10.049 1.00 1.38 C ATOM 2351 ND1 HIS A 150 -19.016 9.378 9.624 1.00 2.39 N ATOM 2352 CD2 HIS A 150 -19.423 7.348 10.308 1.00 1.74 C ATOM 2353 CE1 HIS A 150 -20.325 9.223 9.626 1.00 3.14 C ATOM 2354 NE2 HIS A 150 -20.599 7.999 10.034 1.00 2.73 N ATOM 0 H HIS A 150 -14.428 8.268 9.356 1.00 0.47 H new ATOM 0 HA HIS A 150 -16.661 6.431 8.768 1.00 0.51 H new ATOM 0 HB2 HIS A 150 -16.697 7.400 10.993 1.00 0.64 H new ATOM 0 HB3 HIS A 150 -16.473 9.014 10.349 1.00 0.64 H new ATOM 0 HD2 HIS A 150 -19.320 6.334 10.664 1.00 1.74 H new ATOM 0 HE1 HIS A 150 -21.050 9.971 9.342 1.00 3.14 H new ATOM 0 HE2 HIS A 150 -21.533 7.601 10.130 1.00 2.73 H new ATOM 2363 N ILE A 151 -17.507 7.694 6.788 1.00 0.48 N ATOM 2364 CA ILE A 151 -17.966 8.397 5.600 1.00 0.50 C ATOM 2365 C ILE A 151 -19.422 8.080 5.319 1.00 0.49 C ATOM 2366 O ILE A 151 -19.952 7.085 5.807 1.00 0.55 O ATOM 2367 CB ILE A 151 -17.159 8.017 4.334 1.00 0.48 C ATOM 2368 CG1 ILE A 151 -17.350 6.538 3.998 1.00 0.43 C ATOM 2369 CG2 ILE A 151 -15.684 8.339 4.505 1.00 0.52 C ATOM 2370 CD1 ILE A 151 -16.895 6.173 2.602 1.00 0.64 C ATOM 0 H ILE A 151 -17.855 6.739 6.877 1.00 0.48 H new ATOM 0 HA ILE A 151 -17.826 9.457 5.810 1.00 0.50 H new ATOM 0 HB ILE A 151 -17.538 8.613 3.504 1.00 0.48 H new ATOM 0 HG12 ILE A 151 -16.799 5.935 4.720 1.00 0.43 H new ATOM 0 HG13 ILE A 151 -18.404 6.282 4.107 1.00 0.43 H new ATOM 0 HG21 ILE A 151 -15.144 8.061 3.600 1.00 0.52 H new ATOM 0 HG22 ILE A 151 -15.563 9.407 4.686 1.00 0.52 H new ATOM 0 HG23 ILE A 151 -15.285 7.780 5.352 1.00 0.52 H new ATOM 0 HD11 ILE A 151 -17.060 5.109 2.432 1.00 0.64 H new ATOM 0 HD12 ILE A 151 -17.463 6.749 1.872 1.00 0.64 H new ATOM 0 HD13 ILE A 151 -15.834 6.397 2.495 1.00 0.64 H new ATOM 2382 N ASN A 152 -20.066 8.941 4.556 1.00 0.50 N ATOM 2383 CA ASN A 152 -21.334 8.593 3.946 1.00 0.51 C ATOM 2384 C ASN A 152 -21.020 7.981 2.582 1.00 0.49 C ATOM 2385 O ASN A 152 -20.390 8.606 1.731 1.00 0.52 O ATOM 2386 CB ASN A 152 -22.274 9.813 3.863 1.00 0.62 C ATOM 2387 CG ASN A 152 -22.178 10.606 2.571 1.00 0.87 C ATOM 2388 OD1 ASN A 152 -22.944 10.374 1.635 1.00 1.78 O ATOM 2389 ND2 ASN A 152 -21.254 11.553 2.515 1.00 1.33 N ATOM 0 H ASN A 152 -19.734 9.882 4.344 1.00 0.50 H new ATOM 0 HA ASN A 152 -21.876 7.867 4.552 1.00 0.51 H new ATOM 0 HB2 ASN A 152 -23.302 9.471 3.987 1.00 0.62 H new ATOM 0 HB3 ASN A 152 -22.056 10.479 4.698 1.00 0.62 H new ATOM 0 HD21 ASN A 152 -21.157 12.122 1.674 1.00 1.33 H new ATOM 0 HD22 ASN A 152 -20.639 11.713 3.313 1.00 1.33 H new ATOM 2396 N TRP A 153 -21.404 6.728 2.415 1.00 0.54 N ATOM 2397 CA TRP A 153 -20.933 5.915 1.297 1.00 0.59 C ATOM 2398 C TRP A 153 -21.673 6.233 0.004 1.00 0.72 C ATOM 2399 O TRP A 153 -21.271 5.813 -1.075 1.00 0.87 O ATOM 2400 CB TRP A 153 -21.098 4.433 1.638 1.00 0.63 C ATOM 2401 CG TRP A 153 -20.355 4.008 2.872 1.00 0.55 C ATOM 2402 CD1 TRP A 153 -20.557 4.456 4.147 1.00 0.59 C ATOM 2403 CD2 TRP A 153 -19.307 3.032 2.956 1.00 0.48 C ATOM 2404 NE1 TRP A 153 -19.692 3.835 5.010 1.00 0.56 N ATOM 2405 CE2 TRP A 153 -18.917 2.954 4.306 1.00 0.50 C ATOM 2406 CE3 TRP A 153 -18.657 2.221 2.022 1.00 0.49 C ATOM 2407 CZ2 TRP A 153 -17.914 2.098 4.744 1.00 0.52 C ATOM 2408 CZ3 TRP A 153 -17.663 1.370 2.458 1.00 0.52 C ATOM 2409 CH2 TRP A 153 -17.299 1.314 3.808 1.00 0.53 C ATOM 0 H TRP A 153 -22.046 6.244 3.043 1.00 0.54 H new ATOM 0 HA TRP A 153 -19.881 6.149 1.137 1.00 0.59 H new ATOM 0 HB2 TRP A 153 -22.158 4.216 1.771 1.00 0.63 H new ATOM 0 HB3 TRP A 153 -20.754 3.835 0.794 1.00 0.63 H new ATOM 0 HD1 TRP A 153 -21.292 5.193 4.433 1.00 0.59 H new ATOM 0 HE1 TRP A 153 -19.635 4.002 6.015 1.00 0.56 H new ATOM 0 HE3 TRP A 153 -18.928 2.260 0.977 1.00 0.49 H new ATOM 0 HZ2 TRP A 153 -17.631 2.054 5.785 1.00 0.52 H new ATOM 0 HZ3 TRP A 153 -17.157 0.736 1.745 1.00 0.52 H new ATOM 0 HH2 TRP A 153 -16.516 0.637 4.117 1.00 0.53 H new ATOM 2420 N GLU A 154 -22.739 6.990 0.115 1.00 0.80 N ATOM 2421 CA GLU A 154 -23.583 7.278 -1.023 1.00 0.99 C ATOM 2422 C GLU A 154 -23.587 8.775 -1.271 1.00 0.96 C ATOM 2423 O GLU A 154 -22.595 9.456 -1.020 1.00 1.23 O ATOM 2424 CB GLU A 154 -25.003 6.776 -0.751 1.00 1.23 C ATOM 2425 CG GLU A 154 -25.086 5.286 -0.442 1.00 1.48 C ATOM 2426 CD GLU A 154 -24.573 4.415 -1.572 1.00 1.70 C ATOM 2427 OE1 GLU A 154 -25.213 4.379 -2.645 1.00 2.07 O ATOM 2428 OE2 GLU A 154 -23.512 3.782 -1.402 1.00 2.32 O ATOM 0 H GLU A 154 -23.045 7.421 0.988 1.00 0.80 H new ATOM 0 HA GLU A 154 -23.200 6.771 -1.908 1.00 0.99 H new ATOM 0 HB2 GLU A 154 -25.420 7.334 0.087 1.00 1.23 H new ATOM 0 HB3 GLU A 154 -25.626 6.992 -1.619 1.00 1.23 H new ATOM 0 HG2 GLU A 154 -24.512 5.076 0.460 1.00 1.48 H new ATOM 0 HG3 GLU A 154 -26.122 5.022 -0.229 1.00 1.48 H new ATOM 2435 N ASP A 155 -24.686 9.281 -1.782 1.00 0.99 N ATOM 2436 CA ASP A 155 -24.873 10.709 -1.896 1.00 1.07 C ATOM 2437 C ASP A 155 -26.098 11.124 -1.101 1.00 1.02 C ATOM 2438 O ASP A 155 -27.194 11.284 -1.637 1.00 1.15 O ATOM 2439 CB ASP A 155 -24.971 11.137 -3.364 1.00 1.41 C ATOM 2440 CG ASP A 155 -26.005 10.357 -4.157 1.00 1.79 C ATOM 2441 OD1 ASP A 155 -25.693 9.234 -4.609 1.00 2.49 O ATOM 2442 OD2 ASP A 155 -27.126 10.870 -4.353 1.00 1.86 O ATOM 0 H ASP A 155 -25.467 8.722 -2.127 1.00 0.99 H new ATOM 0 HA ASP A 155 -24.005 11.219 -1.480 1.00 1.07 H new ATOM 0 HB2 ASP A 155 -25.216 12.198 -3.409 1.00 1.41 H new ATOM 0 HB3 ASP A 155 -23.996 11.015 -3.835 1.00 1.41 H new ATOM 2447 N ASN A 156 -25.917 11.235 0.205 1.00 1.06 N ATOM 2448 CA ASN A 156 -27.012 11.592 1.092 1.00 1.31 C ATOM 2449 C ASN A 156 -26.551 12.606 2.124 1.00 1.59 C ATOM 2450 O ASN A 156 -26.434 13.794 1.773 1.00 2.09 O ATOM 2451 CB ASN A 156 -27.571 10.345 1.789 1.00 1.55 C ATOM 2452 CG ASN A 156 -28.322 9.434 0.843 1.00 1.93 C ATOM 2453 OD1 ASN A 156 -27.621 8.470 0.272 1.00 2.57 O flip ATOM 2454 ND2 ASN A 156 -29.526 9.587 0.635 1.00 2.27 N flip ATOM 2455 OXT ASN A 156 -26.319 12.216 3.284 1.00 2.05 O ATOM 0 H ASN A 156 -25.024 11.083 0.674 1.00 1.06 H new ATOM 0 HA ASN A 156 -27.805 12.039 0.492 1.00 1.31 H new ATOM 0 HB2 ASN A 156 -26.751 9.791 2.246 1.00 1.55 H new ATOM 0 HB3 ASN A 156 -28.236 10.652 2.596 1.00 1.55 H new ATOM 0 HD21 ASN A 156 -30.031 10.344 1.096 1.00 2.27 H new ATOM 0 HD22 ASN A 156 -30.018 8.957 0.002 1.00 2.27 H new