USER MOD reduce.3.24.130724 H: found=0, std=0, add=1160, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1162 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 147 ASN : amide:sc= 0.212 K(o=1.5,f=-7.1!) USER MOD Set 1.2: A 148 GLN : amide:sc=-0.00383 X(o=1.5,f=1.2) USER MOD Set 1.3: A 151 LYS NZ :NH3+ -107:sc= 1.34 (180deg=-0.0984) USER MOD Set 2.1: A 104 HIS : no HD1:sc= 0.221 K(o=0.22,f=-1.7) USER MOD Set 2.2: A 123 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 47 TYR OH : rot 180:sc= 0.103 USER MOD Set 3.2: A 69 TYR OH : rot -146:sc= 0.109 USER MOD Set 4.1: A 17 SER OG : rot 180:sc= 0.462 USER MOD Set 4.2: A 154 ASN :FLIP amide:sc= 0.439 F(o=-1.3!,f=0.9) USER MOD Set 5.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 117 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 13 THR OG1 : rot 94:sc= 0.0908 USER MOD Set 6.2: A 119 THR OG1 : rot 179:sc= -0.128 USER MOD Single : A 5 LYS NZ :NH3+ -119:sc= -0.623 (180deg=-1.86!) USER MOD Single : A 6 LYS NZ :NH3+ -140:sc= 0.394 (180deg=-0.0374) USER MOD Single : A 7 LYS NZ :NH3+ -136:sc= 0.576 (180deg=-0.309) USER MOD Single : A 8 ASN : amide:sc= 0.502 K(o=0.5,f=-4.3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 151:sc= 1.09 (180deg=0.546) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 73:sc= 1.23 USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.0196 (180deg=-0.192) USER MOD Single : A 35 GLN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 38 HIS : +bothHN:sc= 0.443 K(o=0.44,f=-1.6) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= -0.162 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 53 LYS NZ :NH3+ -154:sc= -0.244 (180deg=-0.765) USER MOD Single : A 56 SER OG : rot 2:sc= 0.39 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.175 F(o=-0.86,f=-0.17) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl -138:sc= -0.745 (180deg=-2.32!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 71:sc= 0.347 USER MOD Single : A 76 GLN : amide:sc= -1.21 X(o=-1.2,f=-0.82) USER MOD Single : A 81 TYR OH : rot 54:sc= 0.321 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 149:sc= 0.0215 (180deg=-0.481) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -40:sc= 0.484 USER MOD Single : A 100 MET CE :methyl -160:sc= -0.118 (180deg=-0.593) USER MOD Single : A 103 MET CE :methyl 152:sc= -0.273 (180deg=-1.91!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.1) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 81:sc= 0.903 USER MOD Single : A 120 SER OG : rot -171:sc= -0.777 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= -0.0437 USER MOD Single : A 126 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0.33 X(o=0.33,f=0) USER MOD Single : A 132 GLN : amide:sc= -0.0567 X(o=-0.057,f=-0.078) USER MOD Single : A 136 MET CE :methyl 162:sc= -0.0947 (180deg=-0.555) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 MET CE :methyl -118:sc= -0.905 (180deg=-1.53) USER MOD Single : A 143 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 144 SER OG : rot 69:sc= 0.509 USER MOD Single : A 145 THR OG1 : rot 68:sc= 0.129 USER MOD Single : A 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 34 N ILE A 3 3.905 -16.350 -2.846 1.00 41.13 N ATOM 35 CA ILE A 3 4.435 -15.218 -3.666 1.00 74.13 C ATOM 36 C ILE A 3 5.960 -15.304 -3.941 1.00 4.35 C ATOM 37 O ILE A 3 6.669 -16.128 -3.358 1.00 62.44 O ATOM 38 CB ILE A 3 4.095 -13.828 -3.015 1.00 33.12 C ATOM 39 CG1 ILE A 3 4.943 -13.577 -1.728 1.00 44.31 C ATOM 40 CG2 ILE A 3 2.578 -13.717 -2.731 1.00 13.13 C ATOM 41 CD1 ILE A 3 4.779 -12.210 -1.094 1.00 3.02 C ATOM 0 HA ILE A 3 3.930 -15.306 -4.628 1.00 74.13 H new ATOM 0 HB ILE A 3 4.360 -13.046 -3.727 1.00 33.12 H new ATOM 0 HG12 ILE A 3 4.682 -14.335 -0.989 1.00 44.31 H new ATOM 0 HG13 ILE A 3 5.995 -13.720 -1.974 1.00 44.31 H new ATOM 0 HG21 ILE A 3 2.362 -12.748 -2.281 1.00 13.13 H new ATOM 0 HG22 ILE A 3 2.025 -13.814 -3.665 1.00 13.13 H new ATOM 0 HG23 ILE A 3 2.277 -14.510 -2.047 1.00 13.13 H new ATOM 0 HD11 ILE A 3 5.411 -12.141 -0.209 1.00 3.02 H new ATOM 0 HD12 ILE A 3 5.071 -11.440 -1.809 1.00 3.02 H new ATOM 0 HD13 ILE A 3 3.737 -12.064 -0.808 1.00 3.02 H new ATOM 53 N GLU A 4 6.454 -14.395 -4.813 1.00 13.34 N ATOM 54 CA GLU A 4 7.876 -14.341 -5.239 1.00 45.43 C ATOM 55 C GLU A 4 8.699 -13.360 -4.367 1.00 75.21 C ATOM 56 O GLU A 4 8.230 -12.279 -4.031 1.00 51.25 O ATOM 57 CB GLU A 4 7.964 -13.927 -6.746 1.00 33.20 C ATOM 58 CG GLU A 4 9.385 -13.601 -7.288 1.00 50.30 C ATOM 59 CD GLU A 4 10.340 -14.814 -7.403 1.00 54.24 C ATOM 60 OE1 GLU A 4 10.790 -15.347 -6.366 1.00 30.20 O ATOM 61 OE2 GLU A 4 10.668 -15.218 -8.540 1.00 12.30 O ATOM 0 H GLU A 4 5.876 -13.674 -5.244 1.00 13.34 H new ATOM 0 HA GLU A 4 8.303 -15.335 -5.108 1.00 45.43 H new ATOM 0 HB2 GLU A 4 7.545 -14.733 -7.348 1.00 33.20 H new ATOM 0 HB3 GLU A 4 7.331 -13.053 -6.899 1.00 33.20 H new ATOM 0 HG2 GLU A 4 9.285 -13.143 -8.272 1.00 50.30 H new ATOM 0 HG3 GLU A 4 9.844 -12.858 -6.636 1.00 50.30 H new ATOM 68 N LYS A 5 9.926 -13.774 -3.991 1.00 4.14 N ATOM 69 CA LYS A 5 10.911 -12.935 -3.256 1.00 75.02 C ATOM 70 C LYS A 5 12.274 -12.953 -3.994 1.00 40.24 C ATOM 71 O LYS A 5 12.880 -14.011 -4.157 1.00 52.43 O ATOM 72 CB LYS A 5 11.096 -13.413 -1.773 1.00 71.41 C ATOM 73 CG LYS A 5 10.132 -12.773 -0.737 1.00 12.22 C ATOM 74 CD LYS A 5 8.636 -13.163 -0.884 1.00 1.41 C ATOM 75 CE LYS A 5 8.316 -14.622 -0.474 1.00 62.20 C ATOM 76 NZ LYS A 5 8.769 -15.643 -1.456 1.00 32.03 N ATOM 0 H LYS A 5 10.271 -14.713 -4.189 1.00 4.14 H new ATOM 0 HA LYS A 5 10.523 -11.917 -3.227 1.00 75.02 H new ATOM 0 HB2 LYS A 5 10.969 -14.495 -1.740 1.00 71.41 H new ATOM 0 HB3 LYS A 5 12.121 -13.203 -1.467 1.00 71.41 H new ATOM 0 HG2 LYS A 5 10.465 -13.051 0.263 1.00 12.22 H new ATOM 0 HG3 LYS A 5 10.215 -11.689 -0.811 1.00 12.22 H new ATOM 0 HD2 LYS A 5 8.035 -12.487 -0.276 1.00 1.41 H new ATOM 0 HD3 LYS A 5 8.334 -13.014 -1.921 1.00 1.41 H new ATOM 0 HE2 LYS A 5 8.783 -14.828 0.489 1.00 62.20 H new ATOM 0 HE3 LYS A 5 7.240 -14.721 -0.334 1.00 62.20 H new ATOM 0 HZ1 LYS A 5 7.947 -16.173 -1.810 1.00 32.03 H new ATOM 0 HZ2 LYS A 5 9.246 -15.172 -2.251 1.00 32.03 H new ATOM 0 HZ3 LYS A 5 9.431 -16.299 -0.995 1.00 32.03 H new ATOM 90 N LYS A 6 12.743 -11.772 -4.436 1.00 73.04 N ATOM 91 CA LYS A 6 14.043 -11.622 -5.131 1.00 3.33 C ATOM 92 C LYS A 6 15.053 -10.859 -4.233 1.00 53.23 C ATOM 93 O LYS A 6 15.122 -9.627 -4.285 1.00 53.23 O ATOM 94 CB LYS A 6 13.836 -10.882 -6.483 1.00 22.44 C ATOM 95 CG LYS A 6 12.795 -11.538 -7.414 1.00 5.34 C ATOM 96 CD LYS A 6 12.642 -10.797 -8.759 1.00 43.13 C ATOM 97 CE LYS A 6 11.598 -11.450 -9.680 1.00 72.21 C ATOM 98 NZ LYS A 6 11.936 -12.866 -10.014 1.00 40.31 N ATOM 0 H LYS A 6 12.236 -10.894 -4.324 1.00 73.04 H new ATOM 0 HA LYS A 6 14.454 -12.611 -5.335 1.00 3.33 H new ATOM 0 HB2 LYS A 6 13.528 -9.856 -6.279 1.00 22.44 H new ATOM 0 HB3 LYS A 6 14.791 -10.830 -7.005 1.00 22.44 H new ATOM 0 HG2 LYS A 6 13.085 -12.571 -7.605 1.00 5.34 H new ATOM 0 HG3 LYS A 6 11.830 -11.567 -6.909 1.00 5.34 H new ATOM 0 HD2 LYS A 6 12.356 -9.762 -8.569 1.00 43.13 H new ATOM 0 HD3 LYS A 6 13.606 -10.773 -9.268 1.00 43.13 H new ATOM 0 HE2 LYS A 6 10.621 -11.417 -9.197 1.00 72.21 H new ATOM 0 HE3 LYS A 6 11.518 -10.872 -10.601 1.00 72.21 H new ATOM 0 HZ1 LYS A 6 11.715 -13.049 -11.014 1.00 40.31 H new ATOM 0 HZ2 LYS A 6 12.950 -13.029 -9.848 1.00 40.31 H new ATOM 0 HZ3 LYS A 6 11.379 -13.507 -9.413 1.00 40.31 H new ATOM 112 N LYS A 7 15.802 -11.611 -3.392 1.00 52.01 N ATOM 113 CA LYS A 7 16.806 -11.059 -2.434 1.00 10.40 C ATOM 114 C LYS A 7 16.193 -10.015 -1.446 1.00 62.02 C ATOM 115 O LYS A 7 15.768 -10.366 -0.341 1.00 51.03 O ATOM 116 CB LYS A 7 18.039 -10.460 -3.182 1.00 44.30 C ATOM 117 CG LYS A 7 18.986 -11.490 -3.834 1.00 34.22 C ATOM 118 CD LYS A 7 20.169 -10.803 -4.566 1.00 33.31 C ATOM 119 CE LYS A 7 21.259 -11.798 -5.002 1.00 34.53 C ATOM 120 NZ LYS A 7 21.861 -12.499 -3.838 1.00 71.20 N ATOM 0 H LYS A 7 15.730 -12.628 -3.354 1.00 52.01 H new ATOM 0 HA LYS A 7 17.146 -11.901 -1.831 1.00 10.40 H new ATOM 0 HB2 LYS A 7 17.678 -9.783 -3.956 1.00 44.30 H new ATOM 0 HB3 LYS A 7 18.614 -9.860 -2.476 1.00 44.30 H new ATOM 0 HG2 LYS A 7 19.373 -12.163 -3.069 1.00 34.22 H new ATOM 0 HG3 LYS A 7 18.426 -12.101 -4.542 1.00 34.22 H new ATOM 0 HD2 LYS A 7 19.792 -10.277 -5.443 1.00 33.31 H new ATOM 0 HD3 LYS A 7 20.610 -10.053 -3.910 1.00 33.31 H new ATOM 0 HE2 LYS A 7 20.830 -12.530 -5.686 1.00 34.53 H new ATOM 0 HE3 LYS A 7 22.038 -11.268 -5.550 1.00 34.53 H new ATOM 0 HZ1 LYS A 7 22.895 -12.530 -3.948 1.00 71.20 H new ATOM 0 HZ2 LYS A 7 21.621 -11.989 -2.964 1.00 71.20 H new ATOM 0 HZ3 LYS A 7 21.489 -13.469 -3.786 1.00 71.20 H new ATOM 134 N ASN A 8 16.145 -8.737 -1.871 1.00 41.55 N ATOM 135 CA ASN A 8 15.630 -7.608 -1.055 1.00 55.55 C ATOM 136 C ASN A 8 14.270 -7.103 -1.583 1.00 3.14 C ATOM 137 O ASN A 8 13.856 -5.994 -1.284 1.00 53.10 O ATOM 138 CB ASN A 8 16.656 -6.445 -1.043 1.00 64.44 C ATOM 139 CG ASN A 8 16.957 -5.862 -2.426 1.00 41.44 C ATOM 140 OD1 ASN A 8 17.024 -6.573 -3.426 1.00 24.30 O ATOM 141 ND2 ASN A 8 17.110 -4.560 -2.503 1.00 35.42 N ATOM 0 H ASN A 8 16.464 -8.452 -2.797 1.00 41.55 H new ATOM 0 HA ASN A 8 15.483 -7.972 -0.038 1.00 55.55 H new ATOM 0 HB2 ASN A 8 16.280 -5.650 -0.399 1.00 64.44 H new ATOM 0 HB3 ASN A 8 17.586 -6.800 -0.600 1.00 64.44 H new ATOM 0 HD21 ASN A 8 17.288 -4.120 -3.406 1.00 35.42 H new ATOM 0 HD22 ASN A 8 17.050 -3.989 -1.660 1.00 35.42 H new ATOM 148 N LYS A 9 13.568 -7.949 -2.332 1.00 4.14 N ATOM 149 CA LYS A 9 12.323 -7.574 -3.026 1.00 64.04 C ATOM 150 C LYS A 9 11.199 -8.583 -2.702 1.00 44.33 C ATOM 151 O LYS A 9 11.400 -9.788 -2.804 1.00 44.23 O ATOM 152 CB LYS A 9 12.619 -7.521 -4.547 1.00 53.42 C ATOM 153 CG LYS A 9 11.488 -6.980 -5.447 1.00 23.32 C ATOM 154 CD LYS A 9 11.832 -7.117 -6.956 1.00 12.23 C ATOM 155 CE LYS A 9 13.124 -6.381 -7.346 1.00 11.34 C ATOM 156 NZ LYS A 9 13.408 -6.481 -8.800 1.00 55.54 N ATOM 0 H LYS A 9 13.842 -8.920 -2.480 1.00 4.14 H new ATOM 0 HA LYS A 9 11.978 -6.596 -2.690 1.00 64.04 H new ATOM 0 HB2 LYS A 9 13.504 -6.904 -4.702 1.00 53.42 H new ATOM 0 HB3 LYS A 9 12.870 -8.527 -4.882 1.00 53.42 H new ATOM 0 HG2 LYS A 9 10.565 -7.520 -5.235 1.00 23.32 H new ATOM 0 HG3 LYS A 9 11.306 -5.932 -5.210 1.00 23.32 H new ATOM 0 HD2 LYS A 9 11.932 -8.173 -7.206 1.00 12.23 H new ATOM 0 HD3 LYS A 9 11.005 -6.727 -7.549 1.00 12.23 H new ATOM 0 HE2 LYS A 9 13.041 -5.331 -7.065 1.00 11.34 H new ATOM 0 HE3 LYS A 9 13.961 -6.796 -6.784 1.00 11.34 H new ATOM 0 HZ1 LYS A 9 14.288 -5.971 -9.018 1.00 55.54 H new ATOM 0 HZ2 LYS A 9 13.513 -7.481 -9.065 1.00 55.54 H new ATOM 0 HZ3 LYS A 9 12.622 -6.061 -9.337 1.00 55.54 H new ATOM 170 N ILE A 10 10.022 -8.075 -2.308 1.00 25.12 N ATOM 171 CA ILE A 10 8.821 -8.892 -2.037 1.00 61.24 C ATOM 172 C ILE A 10 7.728 -8.539 -3.067 1.00 12.22 C ATOM 173 O ILE A 10 7.169 -7.436 -3.055 1.00 23.54 O ATOM 174 CB ILE A 10 8.276 -8.679 -0.565 1.00 63.33 C ATOM 175 CG1 ILE A 10 9.318 -9.174 0.497 1.00 24.32 C ATOM 176 CG2 ILE A 10 6.902 -9.373 -0.349 1.00 11.54 C ATOM 177 CD1 ILE A 10 8.856 -9.067 1.948 1.00 44.42 C ATOM 0 H ILE A 10 9.871 -7.076 -2.166 1.00 25.12 H new ATOM 0 HA ILE A 10 9.096 -9.943 -2.127 1.00 61.24 H new ATOM 0 HB ILE A 10 8.127 -7.608 -0.430 1.00 63.33 H new ATOM 0 HG12 ILE A 10 9.565 -10.214 0.285 1.00 24.32 H new ATOM 0 HG13 ILE A 10 10.236 -8.598 0.380 1.00 24.32 H new ATOM 0 HG21 ILE A 10 6.565 -9.202 0.673 1.00 11.54 H new ATOM 0 HG22 ILE A 10 6.172 -8.960 -1.046 1.00 11.54 H new ATOM 0 HG23 ILE A 10 7.004 -10.444 -0.523 1.00 11.54 H new ATOM 0 HD11 ILE A 10 9.643 -9.432 2.608 1.00 44.42 H new ATOM 0 HD12 ILE A 10 8.638 -8.026 2.185 1.00 44.42 H new ATOM 0 HD13 ILE A 10 7.957 -9.667 2.089 1.00 44.42 H new ATOM 189 N ILE A 11 7.472 -9.477 -3.983 1.00 32.14 N ATOM 190 CA ILE A 11 6.432 -9.348 -5.010 1.00 52.04 C ATOM 191 C ILE A 11 5.142 -10.039 -4.500 1.00 14.03 C ATOM 192 O ILE A 11 5.068 -11.265 -4.493 1.00 55.40 O ATOM 193 CB ILE A 11 6.876 -9.985 -6.394 1.00 35.41 C ATOM 194 CG1 ILE A 11 8.234 -9.395 -6.926 1.00 74.24 C ATOM 195 CG2 ILE A 11 5.768 -9.817 -7.457 1.00 53.43 C ATOM 196 CD1 ILE A 11 9.487 -9.933 -6.252 1.00 4.53 C ATOM 0 H ILE A 11 7.986 -10.357 -4.034 1.00 32.14 H new ATOM 0 HA ILE A 11 6.255 -8.287 -5.188 1.00 52.04 H new ATOM 0 HB ILE A 11 7.037 -11.047 -6.209 1.00 35.41 H new ATOM 0 HG12 ILE A 11 8.303 -9.594 -7.995 1.00 74.24 H new ATOM 0 HG13 ILE A 11 8.213 -8.312 -6.804 1.00 74.24 H new ATOM 0 HG21 ILE A 11 6.095 -10.261 -8.397 1.00 53.43 H new ATOM 0 HG22 ILE A 11 4.860 -10.314 -7.117 1.00 53.43 H new ATOM 0 HG23 ILE A 11 5.566 -8.757 -7.608 1.00 53.43 H new ATOM 0 HD11 ILE A 11 10.367 -9.463 -6.691 1.00 4.53 H new ATOM 0 HD12 ILE A 11 9.451 -9.710 -5.186 1.00 4.53 H new ATOM 0 HD13 ILE A 11 9.543 -11.012 -6.395 1.00 4.53 H new ATOM 208 N PHE A 12 4.136 -9.243 -4.085 1.00 23.21 N ATOM 209 CA PHE A 12 2.867 -9.760 -3.509 1.00 23.33 C ATOM 210 C PHE A 12 1.725 -9.666 -4.534 1.00 62.30 C ATOM 211 O PHE A 12 1.575 -8.649 -5.194 1.00 3.01 O ATOM 212 CB PHE A 12 2.495 -8.961 -2.225 1.00 22.53 C ATOM 213 CG PHE A 12 1.326 -9.550 -1.421 1.00 13.22 C ATOM 214 CD1 PHE A 12 1.436 -10.807 -0.826 1.00 44.24 C ATOM 215 CD2 PHE A 12 0.126 -8.858 -1.260 1.00 71.51 C ATOM 216 CE1 PHE A 12 0.395 -11.351 -0.101 1.00 42.34 C ATOM 217 CE2 PHE A 12 -0.912 -9.407 -0.534 1.00 25.22 C ATOM 218 CZ PHE A 12 -0.778 -10.652 0.044 1.00 33.30 C ATOM 0 H PHE A 12 4.175 -8.225 -4.137 1.00 23.21 H new ATOM 0 HA PHE A 12 3.012 -10.808 -3.248 1.00 23.33 H new ATOM 0 HB2 PHE A 12 3.372 -8.907 -1.580 1.00 22.53 H new ATOM 0 HB3 PHE A 12 2.245 -7.939 -2.509 1.00 22.53 H new ATOM 0 HD1 PHE A 12 2.354 -11.366 -0.935 1.00 44.24 H new ATOM 0 HD2 PHE A 12 0.007 -7.882 -1.708 1.00 71.51 H new ATOM 0 HE1 PHE A 12 0.503 -12.326 0.352 1.00 42.34 H new ATOM 0 HE2 PHE A 12 -1.835 -8.858 -0.418 1.00 25.22 H new ATOM 0 HZ PHE A 12 -1.594 -11.076 0.610 1.00 33.30 H new ATOM 228 N THR A 13 0.904 -10.717 -4.637 1.00 13.15 N ATOM 229 CA THR A 13 -0.269 -10.740 -5.545 1.00 1.35 C ATOM 230 C THR A 13 -1.551 -11.092 -4.752 1.00 73.32 C ATOM 231 O THR A 13 -1.509 -11.912 -3.823 1.00 42.14 O ATOM 232 CB THR A 13 -0.044 -11.731 -6.740 1.00 32.21 C ATOM 233 OG1 THR A 13 -1.153 -11.674 -7.649 1.00 65.11 O ATOM 234 CG2 THR A 13 0.179 -13.186 -6.281 1.00 1.22 C ATOM 0 H THR A 13 1.025 -11.576 -4.100 1.00 13.15 H new ATOM 0 HA THR A 13 -0.394 -9.745 -5.973 1.00 1.35 H new ATOM 0 HB THR A 13 0.868 -11.409 -7.243 1.00 32.21 H new ATOM 0 HG1 THR A 13 -0.958 -11.031 -8.363 1.00 65.11 H new ATOM 0 HG21 THR A 13 0.329 -13.824 -7.152 1.00 1.22 H new ATOM 0 HG22 THR A 13 1.059 -13.235 -5.640 1.00 1.22 H new ATOM 0 HG23 THR A 13 -0.693 -13.530 -5.725 1.00 1.22 H new ATOM 242 N ARG A 14 -2.686 -10.452 -5.105 1.00 25.52 N ATOM 243 CA ARG A 14 -3.953 -10.575 -4.339 1.00 72.43 C ATOM 244 C ARG A 14 -5.175 -10.303 -5.256 1.00 31.22 C ATOM 245 O ARG A 14 -5.167 -9.360 -6.054 1.00 13.25 O ATOM 246 CB ARG A 14 -3.946 -9.593 -3.107 1.00 24.10 C ATOM 247 CG ARG A 14 -4.259 -10.213 -1.710 1.00 2.23 C ATOM 248 CD ARG A 14 -5.659 -10.853 -1.579 1.00 21.24 C ATOM 249 NE ARG A 14 -5.703 -12.221 -2.127 1.00 22.01 N ATOM 250 CZ ARG A 14 -6.777 -12.970 -2.256 1.00 3.43 C ATOM 251 NH1 ARG A 14 -7.954 -12.535 -1.912 1.00 2.00 N ATOM 252 NH2 ARG A 14 -6.650 -14.159 -2.719 1.00 43.30 N ATOM 0 H ARG A 14 -2.755 -9.841 -5.919 1.00 25.52 H new ATOM 0 HA ARG A 14 -4.034 -11.595 -3.963 1.00 72.43 H new ATOM 0 HB2 ARG A 14 -2.966 -9.119 -3.056 1.00 24.10 H new ATOM 0 HB3 ARG A 14 -4.672 -8.803 -3.298 1.00 24.10 H new ATOM 0 HG2 ARG A 14 -3.507 -10.971 -1.489 1.00 2.23 H new ATOM 0 HG3 ARG A 14 -4.159 -9.435 -0.953 1.00 2.23 H new ATOM 0 HD2 ARG A 14 -5.949 -10.875 -0.528 1.00 21.24 H new ATOM 0 HD3 ARG A 14 -6.390 -10.233 -2.098 1.00 21.24 H new ATOM 0 HE ARG A 14 -4.818 -12.624 -2.435 1.00 22.01 H new ATOM 0 HH11 ARG A 14 -8.059 -11.594 -1.533 1.00 2.00 H new ATOM 0 HH12 ARG A 14 -8.772 -13.135 -2.022 1.00 2.00 H new ATOM 0 HH21 ARG A 14 -5.728 -14.509 -2.980 1.00 43.30 H new ATOM 0 HH22 ARG A 14 -7.471 -14.755 -2.826 1.00 43.30 H new ATOM 266 N THR A 15 -6.230 -11.127 -5.105 1.00 53.33 N ATOM 267 CA THR A 15 -7.465 -11.046 -5.928 1.00 51.34 C ATOM 268 C THR A 15 -8.599 -10.287 -5.183 1.00 61.41 C ATOM 269 O THR A 15 -8.768 -10.440 -3.970 1.00 3.45 O ATOM 270 CB THR A 15 -7.960 -12.482 -6.328 1.00 1.13 C ATOM 271 OG1 THR A 15 -6.898 -13.208 -6.977 1.00 60.23 O ATOM 272 CG2 THR A 15 -9.185 -12.447 -7.267 1.00 5.40 C ATOM 0 H THR A 15 -6.255 -11.872 -4.408 1.00 53.33 H new ATOM 0 HA THR A 15 -7.217 -10.488 -6.831 1.00 51.34 H new ATOM 0 HB THR A 15 -8.257 -12.979 -5.405 1.00 1.13 H new ATOM 0 HG1 THR A 15 -7.215 -14.103 -7.221 1.00 60.23 H new ATOM 0 HG21 THR A 15 -9.485 -13.466 -7.512 1.00 5.40 H new ATOM 0 HG22 THR A 15 -10.009 -11.935 -6.771 1.00 5.40 H new ATOM 0 HG23 THR A 15 -8.926 -11.915 -8.183 1.00 5.40 H new ATOM 280 N PHE A 16 -9.367 -9.465 -5.934 1.00 10.31 N ATOM 281 CA PHE A 16 -10.512 -8.665 -5.420 1.00 44.54 C ATOM 282 C PHE A 16 -11.692 -8.759 -6.422 1.00 64.11 C ATOM 283 O PHE A 16 -11.487 -8.566 -7.624 1.00 61.32 O ATOM 284 CB PHE A 16 -10.114 -7.160 -5.259 1.00 42.13 C ATOM 285 CG PHE A 16 -8.812 -6.922 -4.494 1.00 44.32 C ATOM 286 CD1 PHE A 16 -8.774 -7.000 -3.103 1.00 4.52 C ATOM 287 CD2 PHE A 16 -7.620 -6.642 -5.174 1.00 31.50 C ATOM 288 CE1 PHE A 16 -7.592 -6.802 -2.418 1.00 12.21 C ATOM 289 CE2 PHE A 16 -6.441 -6.448 -4.484 1.00 63.34 C ATOM 290 CZ PHE A 16 -6.427 -6.528 -3.107 1.00 55.22 C ATOM 0 H PHE A 16 -9.209 -9.334 -6.933 1.00 10.31 H new ATOM 0 HA PHE A 16 -10.800 -9.063 -4.447 1.00 44.54 H new ATOM 0 HB2 PHE A 16 -10.024 -6.714 -6.250 1.00 42.13 H new ATOM 0 HB3 PHE A 16 -10.922 -6.638 -4.746 1.00 42.13 H new ATOM 0 HD1 PHE A 16 -9.679 -7.218 -2.555 1.00 4.52 H new ATOM 0 HD2 PHE A 16 -7.624 -6.577 -6.252 1.00 31.50 H new ATOM 0 HE1 PHE A 16 -7.578 -6.862 -1.340 1.00 12.21 H new ATOM 0 HE2 PHE A 16 -5.529 -6.234 -5.022 1.00 63.34 H new ATOM 0 HZ PHE A 16 -5.504 -6.376 -2.567 1.00 55.22 H new ATOM 300 N SER A 17 -12.920 -9.058 -5.946 1.00 53.22 N ATOM 301 CA SER A 17 -14.132 -8.987 -6.804 1.00 54.12 C ATOM 302 C SER A 17 -14.604 -7.512 -6.906 1.00 74.55 C ATOM 303 O SER A 17 -15.371 -7.020 -6.067 1.00 51.24 O ATOM 304 CB SER A 17 -15.252 -9.902 -6.246 1.00 32.05 C ATOM 305 OG SER A 17 -15.586 -9.567 -4.907 1.00 15.21 O ATOM 0 H SER A 17 -13.102 -9.348 -4.985 1.00 53.22 H new ATOM 0 HA SER A 17 -13.889 -9.346 -7.804 1.00 54.12 H new ATOM 0 HB2 SER A 17 -16.139 -9.816 -6.874 1.00 32.05 H new ATOM 0 HB3 SER A 17 -14.928 -10.942 -6.291 1.00 32.05 H new ATOM 0 HG SER A 17 -16.296 -10.162 -4.588 1.00 15.21 H new ATOM 311 N ALA A 18 -14.129 -6.830 -7.963 1.00 10.00 N ATOM 312 CA ALA A 18 -14.285 -5.371 -8.149 1.00 5.32 C ATOM 313 C ALA A 18 -13.642 -4.932 -9.487 1.00 72.30 C ATOM 314 O ALA A 18 -12.843 -5.687 -10.061 1.00 34.13 O ATOM 315 CB ALA A 18 -13.622 -4.590 -6.980 1.00 72.23 C ATOM 0 H ALA A 18 -13.619 -7.280 -8.723 1.00 10.00 H new ATOM 0 HA ALA A 18 -15.351 -5.145 -8.164 1.00 5.32 H new ATOM 0 HB1 ALA A 18 -13.750 -3.519 -7.139 1.00 72.23 H new ATOM 0 HB2 ALA A 18 -14.092 -4.876 -6.039 1.00 72.23 H new ATOM 0 HB3 ALA A 18 -12.559 -4.827 -6.941 1.00 72.23 H new ATOM 321 N PRO A 19 -14.008 -3.732 -10.041 1.00 51.45 N ATOM 322 CA PRO A 19 -13.196 -3.081 -11.096 1.00 5.13 C ATOM 323 C PRO A 19 -11.840 -2.555 -10.548 1.00 1.03 C ATOM 324 O PRO A 19 -11.757 -2.078 -9.403 1.00 3.21 O ATOM 325 CB PRO A 19 -14.104 -1.926 -11.599 1.00 42.12 C ATOM 326 CG PRO A 19 -15.028 -1.640 -10.453 1.00 4.13 C ATOM 327 CD PRO A 19 -15.265 -2.977 -9.774 1.00 20.52 C ATOM 0 HA PRO A 19 -12.916 -3.772 -11.892 1.00 5.13 H new ATOM 0 HB2 PRO A 19 -13.516 -1.047 -11.863 1.00 42.12 H new ATOM 0 HB3 PRO A 19 -14.658 -2.218 -12.491 1.00 42.12 H new ATOM 0 HG2 PRO A 19 -14.585 -0.923 -9.762 1.00 4.13 H new ATOM 0 HG3 PRO A 19 -15.965 -1.207 -10.804 1.00 4.13 H new ATOM 0 HD2 PRO A 19 -15.442 -2.858 -8.705 1.00 20.52 H new ATOM 0 HD3 PRO A 19 -16.135 -3.488 -10.187 1.00 20.52 H new ATOM 335 N ILE A 20 -10.798 -2.631 -11.396 1.00 62.42 N ATOM 336 CA ILE A 20 -9.417 -2.202 -11.057 1.00 42.23 C ATOM 337 C ILE A 20 -9.334 -0.704 -10.662 1.00 53.34 C ATOM 338 O ILE A 20 -8.417 -0.286 -9.952 1.00 73.14 O ATOM 339 CB ILE A 20 -8.454 -2.506 -12.259 1.00 61.33 C ATOM 340 CG1 ILE A 20 -6.952 -2.289 -11.860 1.00 21.50 C ATOM 341 CG2 ILE A 20 -8.857 -1.671 -13.503 1.00 11.42 C ATOM 342 CD1 ILE A 20 -5.937 -2.655 -12.929 1.00 3.25 C ATOM 0 H ILE A 20 -10.885 -2.994 -12.345 1.00 62.42 H new ATOM 0 HA ILE A 20 -9.106 -2.773 -10.182 1.00 42.23 H new ATOM 0 HB ILE A 20 -8.556 -3.559 -12.523 1.00 61.33 H new ATOM 0 HG12 ILE A 20 -6.812 -1.242 -11.593 1.00 21.50 H new ATOM 0 HG13 ILE A 20 -6.742 -2.877 -10.966 1.00 21.50 H new ATOM 0 HG21 ILE A 20 -8.179 -1.894 -14.326 1.00 11.42 H new ATOM 0 HG22 ILE A 20 -9.877 -1.922 -13.795 1.00 11.42 H new ATOM 0 HG23 ILE A 20 -8.799 -0.609 -13.263 1.00 11.42 H new ATOM 0 HD11 ILE A 20 -4.931 -2.468 -12.554 1.00 3.25 H new ATOM 0 HD12 ILE A 20 -6.040 -3.710 -13.183 1.00 3.25 H new ATOM 0 HD13 ILE A 20 -6.111 -2.049 -13.818 1.00 3.25 H new ATOM 354 N ASN A 21 -10.317 0.079 -11.130 1.00 52.12 N ATOM 355 CA ASN A 21 -10.417 1.522 -10.858 1.00 2.43 C ATOM 356 C ASN A 21 -10.529 1.805 -9.332 1.00 51.21 C ATOM 357 O ASN A 21 -9.861 2.697 -8.818 1.00 45.35 O ATOM 358 CB ASN A 21 -11.633 2.100 -11.618 1.00 2.15 C ATOM 359 CG ASN A 21 -11.599 3.620 -11.717 1.00 33.20 C ATOM 360 OD1 ASN A 21 -11.102 4.182 -12.680 1.00 52.43 O ATOM 361 ND2 ASN A 21 -12.088 4.297 -10.707 1.00 44.10 N ATOM 0 H ASN A 21 -11.074 -0.275 -11.715 1.00 52.12 H new ATOM 0 HA ASN A 21 -9.508 2.011 -11.208 1.00 2.43 H new ATOM 0 HB2 ASN A 21 -11.664 1.676 -12.622 1.00 2.15 H new ATOM 0 HB3 ASN A 21 -12.550 1.794 -11.114 1.00 2.15 H new ATOM 0 HD21 ASN A 21 -12.058 5.317 -10.714 1.00 44.10 H new ATOM 0 HD22 ASN A 21 -12.498 3.804 -9.914 1.00 44.10 H new ATOM 368 N LYS A 22 -11.367 1.013 -8.626 1.00 55.13 N ATOM 369 CA LYS A 22 -11.530 1.123 -7.147 1.00 20.33 C ATOM 370 C LYS A 22 -10.203 0.805 -6.424 1.00 44.15 C ATOM 371 O LYS A 22 -9.784 1.500 -5.490 1.00 4.12 O ATOM 372 CB LYS A 22 -12.597 0.125 -6.628 1.00 31.04 C ATOM 373 CG LYS A 22 -13.940 0.127 -7.366 1.00 70.35 C ATOM 374 CD LYS A 22 -14.995 -0.729 -6.618 1.00 4.34 C ATOM 375 CE LYS A 22 -16.427 -0.537 -7.140 1.00 11.13 C ATOM 376 NZ LYS A 22 -17.406 -1.410 -6.441 1.00 42.13 N ATOM 0 H LYS A 22 -11.944 0.288 -9.052 1.00 55.13 H new ATOM 0 HA LYS A 22 -11.841 2.147 -6.938 1.00 20.33 H new ATOM 0 HB2 LYS A 22 -12.179 -0.881 -6.679 1.00 31.04 H new ATOM 0 HB3 LYS A 22 -12.784 0.339 -5.576 1.00 31.04 H new ATOM 0 HG2 LYS A 22 -14.302 1.150 -7.464 1.00 70.35 H new ATOM 0 HG3 LYS A 22 -13.803 -0.261 -8.375 1.00 70.35 H new ATOM 0 HD2 LYS A 22 -14.724 -1.781 -6.704 1.00 4.34 H new ATOM 0 HD3 LYS A 22 -14.967 -0.479 -5.557 1.00 4.34 H new ATOM 0 HE2 LYS A 22 -16.720 0.505 -7.015 1.00 11.13 H new ATOM 0 HE3 LYS A 22 -16.453 -0.749 -8.209 1.00 11.13 H new ATOM 0 HZ1 LYS A 22 -18.339 -0.950 -6.435 1.00 42.13 H new ATOM 0 HZ2 LYS A 22 -17.473 -2.322 -6.936 1.00 42.13 H new ATOM 0 HZ3 LYS A 22 -17.092 -1.569 -5.462 1.00 42.13 H new ATOM 390 N VAL A 23 -9.582 -0.288 -6.894 1.00 22.33 N ATOM 391 CA VAL A 23 -8.304 -0.816 -6.384 1.00 73.22 C ATOM 392 C VAL A 23 -7.181 0.248 -6.493 1.00 51.33 C ATOM 393 O VAL A 23 -6.345 0.384 -5.600 1.00 2.43 O ATOM 394 CB VAL A 23 -7.938 -2.123 -7.183 1.00 62.22 C ATOM 395 CG1 VAL A 23 -6.531 -2.665 -6.818 1.00 41.32 C ATOM 396 CG2 VAL A 23 -9.014 -3.217 -6.960 1.00 1.22 C ATOM 0 H VAL A 23 -9.964 -0.844 -7.659 1.00 22.33 H new ATOM 0 HA VAL A 23 -8.406 -1.061 -5.327 1.00 73.22 H new ATOM 0 HB VAL A 23 -7.915 -1.855 -8.239 1.00 62.22 H new ATOM 0 HG11 VAL A 23 -6.327 -3.566 -7.396 1.00 41.32 H new ATOM 0 HG12 VAL A 23 -5.779 -1.909 -7.047 1.00 41.32 H new ATOM 0 HG13 VAL A 23 -6.496 -2.900 -5.754 1.00 41.32 H new ATOM 0 HG21 VAL A 23 -8.744 -4.112 -7.520 1.00 1.22 H new ATOM 0 HG22 VAL A 23 -9.074 -3.457 -5.898 1.00 1.22 H new ATOM 0 HG23 VAL A 23 -9.981 -2.852 -7.305 1.00 1.22 H new ATOM 406 N PHE A 24 -7.213 1.004 -7.596 1.00 75.15 N ATOM 407 CA PHE A 24 -6.334 2.166 -7.827 1.00 2.01 C ATOM 408 C PHE A 24 -6.586 3.278 -6.784 1.00 21.43 C ATOM 409 O PHE A 24 -5.667 3.692 -6.083 1.00 43.30 O ATOM 410 CB PHE A 24 -6.587 2.699 -9.253 1.00 32.41 C ATOM 411 CG PHE A 24 -5.824 3.971 -9.633 1.00 31.14 C ATOM 412 CD1 PHE A 24 -4.438 3.959 -9.764 1.00 61.31 C ATOM 413 CD2 PHE A 24 -6.498 5.168 -9.879 1.00 32.22 C ATOM 414 CE1 PHE A 24 -3.753 5.097 -10.126 1.00 3.42 C ATOM 415 CE2 PHE A 24 -5.809 6.310 -10.245 1.00 65.11 C ATOM 416 CZ PHE A 24 -4.437 6.273 -10.369 1.00 53.34 C ATOM 0 H PHE A 24 -7.857 0.827 -8.367 1.00 75.15 H new ATOM 0 HA PHE A 24 -5.295 1.854 -7.723 1.00 2.01 H new ATOM 0 HB2 PHE A 24 -6.327 1.916 -9.965 1.00 32.41 H new ATOM 0 HB3 PHE A 24 -7.654 2.891 -9.365 1.00 32.41 H new ATOM 0 HD1 PHE A 24 -3.893 3.045 -9.579 1.00 61.31 H new ATOM 0 HD2 PHE A 24 -7.573 5.203 -9.782 1.00 32.22 H new ATOM 0 HE1 PHE A 24 -2.677 5.071 -10.220 1.00 3.42 H new ATOM 0 HE2 PHE A 24 -6.345 7.229 -10.433 1.00 65.11 H new ATOM 0 HZ PHE A 24 -3.896 7.163 -10.656 1.00 53.34 H new ATOM 426 N ASP A 25 -7.850 3.734 -6.691 1.00 41.14 N ATOM 427 CA ASP A 25 -8.262 4.836 -5.784 1.00 32.33 C ATOM 428 C ASP A 25 -8.071 4.501 -4.280 1.00 21.22 C ATOM 429 O ASP A 25 -8.127 5.385 -3.434 1.00 24.24 O ATOM 430 CB ASP A 25 -9.730 5.223 -6.068 1.00 45.11 C ATOM 431 CG ASP A 25 -9.943 5.769 -7.487 1.00 35.04 C ATOM 432 OD1 ASP A 25 -9.182 6.671 -7.910 1.00 11.33 O ATOM 433 OD2 ASP A 25 -10.873 5.310 -8.187 1.00 51.35 O ATOM 0 H ASP A 25 -8.619 3.352 -7.241 1.00 41.14 H new ATOM 0 HA ASP A 25 -7.605 5.680 -5.992 1.00 32.33 H new ATOM 0 HB2 ASP A 25 -10.365 4.349 -5.922 1.00 45.11 H new ATOM 0 HB3 ASP A 25 -10.049 5.973 -5.344 1.00 45.11 H new ATOM 438 N ALA A 26 -7.868 3.218 -3.963 1.00 22.13 N ATOM 439 CA ALA A 26 -7.477 2.768 -2.609 1.00 44.12 C ATOM 440 C ALA A 26 -6.067 3.280 -2.222 1.00 65.14 C ATOM 441 O ALA A 26 -5.792 3.568 -1.059 1.00 5.04 O ATOM 442 CB ALA A 26 -7.525 1.245 -2.556 1.00 23.21 C ATOM 0 H ALA A 26 -7.968 2.456 -4.634 1.00 22.13 H new ATOM 0 HA ALA A 26 -8.180 3.185 -1.888 1.00 44.12 H new ATOM 0 HB1 ALA A 26 -7.238 0.906 -1.561 1.00 23.21 H new ATOM 0 HB2 ALA A 26 -8.537 0.905 -2.777 1.00 23.21 H new ATOM 0 HB3 ALA A 26 -6.835 0.833 -3.292 1.00 23.21 H new ATOM 448 N TYR A 27 -5.191 3.380 -3.230 1.00 23.12 N ATOM 449 CA TYR A 27 -3.804 3.879 -3.085 1.00 13.40 C ATOM 450 C TYR A 27 -3.711 5.369 -3.454 1.00 74.01 C ATOM 451 O TYR A 27 -2.750 6.053 -3.091 1.00 4.44 O ATOM 452 CB TYR A 27 -2.871 3.057 -4.014 1.00 61.21 C ATOM 453 CG TYR A 27 -2.782 1.566 -3.622 1.00 51.04 C ATOM 454 CD1 TYR A 27 -1.956 1.132 -2.580 1.00 44.14 C ATOM 455 CD2 TYR A 27 -3.559 0.601 -4.272 1.00 73.51 C ATOM 456 CE1 TYR A 27 -1.906 -0.203 -2.213 1.00 14.31 C ATOM 457 CE2 TYR A 27 -3.518 -0.731 -3.902 1.00 64.23 C ATOM 458 CZ TYR A 27 -2.690 -1.129 -2.873 1.00 34.22 C ATOM 459 OH TYR A 27 -2.651 -2.458 -2.497 1.00 34.44 O ATOM 0 H TYR A 27 -5.423 3.114 -4.187 1.00 23.12 H new ATOM 0 HA TYR A 27 -3.499 3.765 -2.045 1.00 13.40 H new ATOM 0 HB2 TYR A 27 -3.230 3.135 -5.040 1.00 61.21 H new ATOM 0 HB3 TYR A 27 -1.872 3.492 -3.992 1.00 61.21 H new ATOM 0 HD1 TYR A 27 -1.346 1.850 -2.052 1.00 44.14 H new ATOM 0 HD2 TYR A 27 -4.206 0.903 -5.082 1.00 73.51 H new ATOM 0 HE1 TYR A 27 -1.255 -0.519 -1.412 1.00 14.31 H new ATOM 0 HE2 TYR A 27 -4.131 -1.456 -4.416 1.00 64.23 H new ATOM 0 HH TYR A 27 -3.263 -2.976 -3.061 1.00 34.44 H new ATOM 469 N THR A 28 -4.722 5.853 -4.191 1.00 54.15 N ATOM 470 CA THR A 28 -4.699 7.189 -4.812 1.00 64.40 C ATOM 471 C THR A 28 -5.594 8.216 -4.062 1.00 41.22 C ATOM 472 O THR A 28 -5.443 9.435 -4.235 1.00 43.43 O ATOM 473 CB THR A 28 -5.112 7.079 -6.320 1.00 53.51 C ATOM 474 OG1 THR A 28 -4.413 5.978 -6.925 1.00 2.05 O ATOM 475 CG2 THR A 28 -4.759 8.333 -7.119 1.00 3.15 C ATOM 0 H THR A 28 -5.579 5.331 -4.374 1.00 54.15 H new ATOM 0 HA THR A 28 -3.679 7.567 -4.742 1.00 64.40 H new ATOM 0 HB THR A 28 -6.193 6.941 -6.340 1.00 53.51 H new ATOM 0 HG1 THR A 28 -4.799 5.134 -6.611 1.00 2.05 H new ATOM 0 HG21 THR A 28 -5.067 8.202 -8.156 1.00 3.15 H new ATOM 0 HG22 THR A 28 -5.275 9.193 -6.693 1.00 3.15 H new ATOM 0 HG23 THR A 28 -3.683 8.499 -7.078 1.00 3.15 H new ATOM 483 N LYS A 29 -6.519 7.722 -3.220 1.00 2.20 N ATOM 484 CA LYS A 29 -7.441 8.570 -2.414 1.00 43.13 C ATOM 485 C LYS A 29 -7.420 8.145 -0.923 1.00 35.13 C ATOM 486 O LYS A 29 -7.549 6.953 -0.619 1.00 11.11 O ATOM 487 CB LYS A 29 -8.889 8.455 -2.968 1.00 63.11 C ATOM 488 CG LYS A 29 -9.083 8.998 -4.400 1.00 31.04 C ATOM 489 CD LYS A 29 -10.503 8.736 -4.951 1.00 20.15 C ATOM 490 CE LYS A 29 -10.739 9.395 -6.317 1.00 42.42 C ATOM 491 NZ LYS A 29 -10.628 10.874 -6.241 1.00 12.20 N ATOM 0 H LYS A 29 -6.655 6.722 -3.073 1.00 2.20 H new ATOM 0 HA LYS A 29 -7.104 9.604 -2.486 1.00 43.13 H new ATOM 0 HB2 LYS A 29 -9.187 7.407 -2.949 1.00 63.11 H new ATOM 0 HB3 LYS A 29 -9.562 8.990 -2.298 1.00 63.11 H new ATOM 0 HG2 LYS A 29 -8.887 10.070 -4.407 1.00 31.04 H new ATOM 0 HG3 LYS A 29 -8.350 8.536 -5.062 1.00 31.04 H new ATOM 0 HD2 LYS A 29 -10.662 7.661 -5.038 1.00 20.15 H new ATOM 0 HD3 LYS A 29 -11.239 9.110 -4.240 1.00 20.15 H new ATOM 0 HE2 LYS A 29 -10.014 9.012 -7.036 1.00 42.42 H new ATOM 0 HE3 LYS A 29 -11.728 9.123 -6.686 1.00 42.42 H new ATOM 0 HZ1 LYS A 29 -11.004 11.296 -7.114 1.00 12.20 H new ATOM 0 HZ2 LYS A 29 -11.172 11.222 -5.426 1.00 12.20 H new ATOM 0 HZ3 LYS A 29 -9.629 11.142 -6.130 1.00 12.20 H new ATOM 505 N ARG A 30 -7.281 9.124 0.012 1.00 42.42 N ATOM 506 CA ARG A 30 -7.304 8.835 1.471 1.00 22.41 C ATOM 507 C ARG A 30 -8.701 8.460 1.972 1.00 4.14 C ATOM 508 O ARG A 30 -8.813 7.753 2.967 1.00 53.01 O ATOM 509 CB ARG A 30 -6.746 9.994 2.336 1.00 12.11 C ATOM 510 CG ARG A 30 -7.564 11.306 2.324 1.00 73.42 C ATOM 511 CD ARG A 30 -7.000 12.352 3.308 1.00 74.51 C ATOM 512 NE ARG A 30 -7.794 13.593 3.340 1.00 21.44 N ATOM 513 CZ ARG A 30 -7.687 14.547 4.245 1.00 22.25 C ATOM 514 NH1 ARG A 30 -6.827 14.473 5.224 1.00 51.33 N ATOM 515 NH2 ARG A 30 -8.439 15.587 4.151 1.00 60.21 N ATOM 0 H ARG A 30 -7.153 10.110 -0.216 1.00 42.42 H new ATOM 0 HA ARG A 30 -6.642 7.977 1.589 1.00 22.41 H new ATOM 0 HB2 ARG A 30 -6.669 9.647 3.366 1.00 12.11 H new ATOM 0 HB3 ARG A 30 -5.734 10.218 1.999 1.00 12.11 H new ATOM 0 HG2 ARG A 30 -7.567 11.722 1.316 1.00 73.42 H new ATOM 0 HG3 ARG A 30 -8.601 11.089 2.582 1.00 73.42 H new ATOM 0 HD2 ARG A 30 -6.967 11.922 4.309 1.00 74.51 H new ATOM 0 HD3 ARG A 30 -5.974 12.590 3.029 1.00 74.51 H new ATOM 0 HE ARG A 30 -8.484 13.726 2.601 1.00 21.44 H new ATOM 0 HH11 ARG A 30 -6.214 13.661 5.304 1.00 51.33 H new ATOM 0 HH12 ARG A 30 -6.768 15.227 5.909 1.00 51.33 H new ATOM 0 HH21 ARG A 30 -9.107 15.666 3.384 1.00 60.21 H new ATOM 0 HH22 ARG A 30 -8.367 16.332 4.843 1.00 60.21 H new ATOM 529 N GLU A 31 -9.751 8.936 1.273 1.00 22.42 N ATOM 530 CA GLU A 31 -11.166 8.604 1.588 1.00 11.40 C ATOM 531 C GLU A 31 -11.413 7.073 1.608 1.00 23.13 C ATOM 532 O GLU A 31 -12.379 6.601 2.200 1.00 31.25 O ATOM 533 CB GLU A 31 -12.112 9.293 0.565 1.00 35.42 C ATOM 534 CG GLU A 31 -11.964 8.786 -0.888 1.00 44.00 C ATOM 535 CD GLU A 31 -12.828 9.557 -1.898 1.00 51.20 C ATOM 536 OE1 GLU A 31 -14.028 9.229 -2.042 1.00 34.15 O ATOM 537 OE2 GLU A 31 -12.320 10.510 -2.534 1.00 72.21 O ATOM 0 H GLU A 31 -9.648 9.561 0.474 1.00 22.42 H new ATOM 0 HA GLU A 31 -11.380 8.978 2.589 1.00 11.40 H new ATOM 0 HB2 GLU A 31 -13.143 9.144 0.885 1.00 35.42 H new ATOM 0 HB3 GLU A 31 -11.925 10.367 0.583 1.00 35.42 H new ATOM 0 HG2 GLU A 31 -10.918 8.860 -1.185 1.00 44.00 H new ATOM 0 HG3 GLU A 31 -12.231 7.730 -0.925 1.00 44.00 H new ATOM 544 N LEU A 32 -10.525 6.317 0.934 1.00 63.12 N ATOM 545 CA LEU A 32 -10.534 4.843 0.929 1.00 0.10 C ATOM 546 C LEU A 32 -9.332 4.271 1.723 1.00 22.32 C ATOM 547 O LEU A 32 -9.479 3.286 2.454 1.00 13.21 O ATOM 548 CB LEU A 32 -10.498 4.344 -0.536 1.00 50.12 C ATOM 549 CG LEU A 32 -11.656 4.867 -1.445 1.00 54.43 C ATOM 550 CD1 LEU A 32 -11.461 4.424 -2.901 1.00 20.41 C ATOM 551 CD2 LEU A 32 -13.040 4.437 -0.904 1.00 74.53 C ATOM 0 H LEU A 32 -9.774 6.718 0.372 1.00 63.12 H new ATOM 0 HA LEU A 32 -11.444 4.494 1.416 1.00 0.10 H new ATOM 0 HB2 LEU A 32 -9.547 4.639 -0.980 1.00 50.12 H new ATOM 0 HB3 LEU A 32 -10.524 3.254 -0.533 1.00 50.12 H new ATOM 0 HG LEU A 32 -11.624 5.956 -1.424 1.00 54.43 H new ATOM 0 HD11 LEU A 32 -12.282 4.803 -3.510 1.00 20.41 H new ATOM 0 HD12 LEU A 32 -10.518 4.819 -3.278 1.00 20.41 H new ATOM 0 HD13 LEU A 32 -11.445 3.335 -2.951 1.00 20.41 H new ATOM 0 HD21 LEU A 32 -13.822 4.818 -1.561 1.00 74.53 H new ATOM 0 HD22 LEU A 32 -13.095 3.349 -0.868 1.00 74.53 H new ATOM 0 HD23 LEU A 32 -13.180 4.841 0.099 1.00 74.53 H new ATOM 563 N PHE A 33 -8.153 4.921 1.566 1.00 63.41 N ATOM 564 CA PHE A 33 -6.846 4.429 2.088 1.00 41.33 C ATOM 565 C PHE A 33 -6.887 4.069 3.593 1.00 53.01 C ATOM 566 O PHE A 33 -6.520 2.958 3.976 1.00 70.25 O ATOM 567 CB PHE A 33 -5.742 5.479 1.817 1.00 35.10 C ATOM 568 CG PHE A 33 -4.315 5.033 2.163 1.00 51.34 C ATOM 569 CD1 PHE A 33 -3.609 4.180 1.313 1.00 14.53 C ATOM 570 CD2 PHE A 33 -3.675 5.479 3.326 1.00 34.24 C ATOM 571 CE1 PHE A 33 -2.317 3.787 1.611 1.00 11.14 C ATOM 572 CE2 PHE A 33 -2.383 5.083 3.621 1.00 70.22 C ATOM 573 CZ PHE A 33 -1.705 4.238 2.763 1.00 32.21 C ATOM 0 H PHE A 33 -8.078 5.809 1.070 1.00 63.41 H new ATOM 0 HA PHE A 33 -6.620 3.505 1.556 1.00 41.33 H new ATOM 0 HB2 PHE A 33 -5.774 5.752 0.762 1.00 35.10 H new ATOM 0 HB3 PHE A 33 -5.972 6.379 2.387 1.00 35.10 H new ATOM 0 HD1 PHE A 33 -4.079 3.822 0.409 1.00 14.53 H new ATOM 0 HD2 PHE A 33 -4.197 6.141 4.001 1.00 34.24 H new ATOM 0 HE1 PHE A 33 -1.786 3.126 0.941 1.00 11.14 H new ATOM 0 HE2 PHE A 33 -1.904 5.434 4.523 1.00 70.22 H new ATOM 0 HZ PHE A 33 -0.696 3.930 2.994 1.00 32.21 H new ATOM 583 N GLU A 34 -7.339 5.010 4.434 1.00 23.24 N ATOM 584 CA GLU A 34 -7.414 4.789 5.903 1.00 15.44 C ATOM 585 C GLU A 34 -8.420 3.679 6.330 1.00 42.31 C ATOM 586 O GLU A 34 -8.288 3.113 7.420 1.00 13.23 O ATOM 587 CB GLU A 34 -7.672 6.125 6.673 1.00 54.12 C ATOM 588 CG GLU A 34 -8.704 7.100 6.057 1.00 21.32 C ATOM 589 CD GLU A 34 -10.145 6.575 5.957 1.00 52.45 C ATOM 590 OE1 GLU A 34 -10.751 6.276 7.008 1.00 13.22 O ATOM 591 OE2 GLU A 34 -10.675 6.461 4.832 1.00 71.34 O ATOM 0 H GLU A 34 -7.659 5.931 4.133 1.00 23.24 H new ATOM 0 HA GLU A 34 -6.431 4.414 6.189 1.00 15.44 H new ATOM 0 HB2 GLU A 34 -8.000 5.877 7.682 1.00 54.12 H new ATOM 0 HB3 GLU A 34 -6.722 6.651 6.767 1.00 54.12 H new ATOM 0 HG2 GLU A 34 -8.711 8.014 6.651 1.00 21.32 H new ATOM 0 HG3 GLU A 34 -8.366 7.372 5.057 1.00 21.32 H new ATOM 598 N GLN A 35 -9.420 3.372 5.481 1.00 54.53 N ATOM 599 CA GLN A 35 -10.423 2.318 5.787 1.00 13.21 C ATOM 600 C GLN A 35 -9.836 0.882 5.704 1.00 24.44 C ATOM 601 O GLN A 35 -10.296 -0.015 6.425 1.00 25.33 O ATOM 602 CB GLN A 35 -11.667 2.449 4.869 1.00 4.20 C ATOM 603 CG GLN A 35 -12.458 3.754 5.077 1.00 53.13 C ATOM 604 CD GLN A 35 -13.775 3.807 4.302 1.00 54.33 C ATOM 605 OE1 GLN A 35 -14.818 3.384 4.786 1.00 4.42 O ATOM 606 NE2 GLN A 35 -13.738 4.331 3.091 1.00 4.31 N ATOM 0 H GLN A 35 -9.560 3.832 4.582 1.00 54.53 H new ATOM 0 HA GLN A 35 -10.728 2.477 6.821 1.00 13.21 H new ATOM 0 HB2 GLN A 35 -11.347 2.391 3.829 1.00 4.20 H new ATOM 0 HB3 GLN A 35 -12.329 1.602 5.047 1.00 4.20 H new ATOM 0 HG2 GLN A 35 -12.667 3.876 6.140 1.00 53.13 H new ATOM 0 HG3 GLN A 35 -11.836 4.597 4.776 1.00 53.13 H new ATOM 0 HE21 GLN A 35 -12.856 4.676 2.711 1.00 4.31 H new ATOM 0 HE22 GLN A 35 -14.591 4.391 2.535 1.00 4.31 H new ATOM 615 N TRP A 36 -8.824 0.662 4.840 1.00 14.31 N ATOM 616 CA TRP A 36 -8.197 -0.680 4.669 1.00 15.22 C ATOM 617 C TRP A 36 -6.788 -0.751 5.320 1.00 14.35 C ATOM 618 O TRP A 36 -6.463 -1.737 5.994 1.00 20.53 O ATOM 619 CB TRP A 36 -8.140 -1.077 3.161 1.00 23.10 C ATOM 620 CG TRP A 36 -7.172 -0.283 2.294 1.00 44.21 C ATOM 621 CD1 TRP A 36 -7.411 0.886 1.632 1.00 55.35 C ATOM 622 CD2 TRP A 36 -5.811 -0.628 1.988 1.00 20.44 C ATOM 623 NE1 TRP A 36 -6.287 1.294 0.964 1.00 3.25 N ATOM 624 CE2 TRP A 36 -5.292 0.388 1.170 1.00 51.02 C ATOM 625 CE3 TRP A 36 -4.977 -1.688 2.356 1.00 23.20 C ATOM 626 CZ2 TRP A 36 -3.985 0.370 0.700 1.00 71.44 C ATOM 627 CZ3 TRP A 36 -3.679 -1.705 1.890 1.00 21.33 C ATOM 628 CH2 TRP A 36 -3.193 -0.682 1.072 1.00 63.42 C ATOM 0 H TRP A 36 -8.420 1.388 4.249 1.00 14.31 H new ATOM 0 HA TRP A 36 -8.826 -1.402 5.190 1.00 15.22 H new ATOM 0 HB2 TRP A 36 -7.874 -2.132 3.094 1.00 23.10 H new ATOM 0 HB3 TRP A 36 -9.141 -0.973 2.741 1.00 23.10 H new ATOM 0 HD1 TRP A 36 -8.353 1.415 1.634 1.00 55.35 H new ATOM 0 HE1 TRP A 36 -6.208 2.141 0.402 1.00 3.25 H new ATOM 0 HE3 TRP A 36 -5.343 -2.479 2.994 1.00 23.20 H new ATOM 0 HZ2 TRP A 36 -3.608 1.157 0.064 1.00 71.44 H new ATOM 0 HZ3 TRP A 36 -3.028 -2.522 2.162 1.00 21.33 H new ATOM 0 HH2 TRP A 36 -2.171 -0.722 0.726 1.00 63.42 H new ATOM 639 N PHE A 37 -5.964 0.301 5.111 1.00 21.45 N ATOM 640 CA PHE A 37 -4.534 0.306 5.507 1.00 41.11 C ATOM 641 C PHE A 37 -4.373 0.536 7.027 1.00 61.31 C ATOM 642 O PHE A 37 -4.299 1.675 7.491 1.00 3.55 O ATOM 643 CB PHE A 37 -3.751 1.377 4.691 1.00 44.33 C ATOM 644 CG PHE A 37 -2.230 1.321 4.887 1.00 61.55 C ATOM 645 CD1 PHE A 37 -1.449 0.430 4.149 1.00 11.40 C ATOM 646 CD2 PHE A 37 -1.585 2.148 5.811 1.00 45.40 C ATOM 647 CE1 PHE A 37 -0.079 0.369 4.327 1.00 44.53 C ATOM 648 CE2 PHE A 37 -0.216 2.084 5.986 1.00 31.52 C ATOM 649 CZ PHE A 37 0.536 1.197 5.245 1.00 44.32 C ATOM 0 H PHE A 37 -6.268 1.167 4.666 1.00 21.45 H new ATOM 0 HA PHE A 37 -4.114 -0.674 5.280 1.00 41.11 H new ATOM 0 HB2 PHE A 37 -3.976 1.248 3.632 1.00 44.33 H new ATOM 0 HB3 PHE A 37 -4.107 2.367 4.974 1.00 44.33 H new ATOM 0 HD1 PHE A 37 -1.922 -0.221 3.429 1.00 11.40 H new ATOM 0 HD2 PHE A 37 -2.165 2.847 6.396 1.00 45.40 H new ATOM 0 HE1 PHE A 37 0.510 -0.327 3.748 1.00 44.53 H new ATOM 0 HE2 PHE A 37 0.266 2.730 6.705 1.00 31.52 H new ATOM 0 HZ PHE A 37 1.606 1.150 5.383 1.00 44.32 H new ATOM 659 N HIS A 38 -4.360 -0.572 7.781 1.00 52.43 N ATOM 660 CA HIS A 38 -4.177 -0.576 9.249 1.00 11.42 C ATOM 661 C HIS A 38 -3.951 -2.024 9.754 1.00 4.41 C ATOM 662 O HIS A 38 -4.464 -2.977 9.146 1.00 14.14 O ATOM 663 CB HIS A 38 -5.400 0.071 9.981 1.00 61.41 C ATOM 664 CG HIS A 38 -6.735 -0.546 9.641 1.00 12.55 C ATOM 665 ND1 HIS A 38 -7.223 -1.682 10.255 1.00 11.24 N ATOM 666 CD2 HIS A 38 -7.675 -0.182 8.738 1.00 22.54 C ATOM 667 CE1 HIS A 38 -8.395 -1.992 9.741 1.00 71.34 C ATOM 668 NE2 HIS A 38 -8.690 -1.100 8.820 1.00 3.35 N ATOM 0 H HIS A 38 -4.477 -1.506 7.388 1.00 52.43 H new ATOM 0 HA HIS A 38 -3.297 0.024 9.480 1.00 11.42 H new ATOM 0 HB2 HIS A 38 -5.244 -0.004 11.057 1.00 61.41 H new ATOM 0 HB3 HIS A 38 -5.433 1.133 9.737 1.00 61.41 H new ATOM 0 HD1 HIS A 38 -6.749 -2.202 10.994 1.00 11.24 H new ATOM 0 HD2 HIS A 38 -7.633 0.671 8.077 1.00 22.54 H new ATOM 0 HE1 HIS A 38 -9.009 -2.834 10.026 1.00 71.34 H new ATOM 0 HE2 HIS A 38 -9.540 -1.093 8.256 1.00 3.35 H new ATOM 677 N PRO A 39 -3.182 -2.221 10.874 1.00 3.33 N ATOM 678 CA PRO A 39 -3.104 -3.538 11.566 1.00 22.43 C ATOM 679 C PRO A 39 -4.379 -3.836 12.416 1.00 24.13 C ATOM 680 O PRO A 39 -5.424 -3.201 12.222 1.00 70.32 O ATOM 681 CB PRO A 39 -1.826 -3.390 12.429 1.00 30.43 C ATOM 682 CG PRO A 39 -1.748 -1.925 12.737 1.00 2.11 C ATOM 683 CD PRO A 39 -2.307 -1.201 11.526 1.00 22.34 C ATOM 0 HA PRO A 39 -3.057 -4.385 10.882 1.00 22.43 H new ATOM 0 HB2 PRO A 39 -1.892 -3.984 13.340 1.00 30.43 H new ATOM 0 HB3 PRO A 39 -0.942 -3.730 11.890 1.00 30.43 H new ATOM 0 HG2 PRO A 39 -2.322 -1.685 13.632 1.00 2.11 H new ATOM 0 HG3 PRO A 39 -0.718 -1.623 12.929 1.00 2.11 H new ATOM 0 HD2 PRO A 39 -2.872 -0.315 11.815 1.00 22.34 H new ATOM 0 HD3 PRO A 39 -1.513 -0.868 10.857 1.00 22.34 H new ATOM 691 N GLN A 40 -4.287 -4.816 13.343 1.00 12.42 N ATOM 692 CA GLN A 40 -5.448 -5.280 14.148 1.00 10.31 C ATOM 693 C GLN A 40 -5.997 -4.168 15.097 1.00 42.33 C ATOM 694 O GLN A 40 -6.978 -3.492 14.760 1.00 4.31 O ATOM 695 CB GLN A 40 -5.060 -6.567 14.935 1.00 21.40 C ATOM 696 CG GLN A 40 -4.602 -7.743 14.041 1.00 71.32 C ATOM 697 CD GLN A 40 -4.172 -8.986 14.830 1.00 63.23 C ATOM 698 OE1 GLN A 40 -3.009 -9.144 15.182 1.00 71.24 O ATOM 699 NE2 GLN A 40 -5.106 -9.875 15.112 1.00 20.35 N ATOM 0 H GLN A 40 -3.418 -5.305 13.555 1.00 12.42 H new ATOM 0 HA GLN A 40 -6.261 -5.517 13.462 1.00 10.31 H new ATOM 0 HB2 GLN A 40 -4.260 -6.324 15.635 1.00 21.40 H new ATOM 0 HB3 GLN A 40 -5.916 -6.888 15.528 1.00 21.40 H new ATOM 0 HG2 GLN A 40 -5.415 -8.014 13.368 1.00 71.32 H new ATOM 0 HG3 GLN A 40 -3.770 -7.412 13.419 1.00 71.32 H new ATOM 0 HE21 GLN A 40 -6.067 -9.719 14.807 1.00 20.35 H new ATOM 0 HE22 GLN A 40 -4.867 -10.718 15.635 1.00 20.35 H new ATOM 708 N ASP A 41 -5.345 -3.964 16.260 1.00 31.14 N ATOM 709 CA ASP A 41 -5.763 -2.952 17.262 1.00 4.01 C ATOM 710 C ASP A 41 -4.849 -1.705 17.215 1.00 62.31 C ATOM 711 O ASP A 41 -4.096 -1.413 18.160 1.00 54.44 O ATOM 712 CB ASP A 41 -5.797 -3.586 18.678 1.00 51.41 C ATOM 713 CG ASP A 41 -6.841 -4.708 18.791 1.00 13.21 C ATOM 714 OD1 ASP A 41 -8.054 -4.396 18.860 1.00 44.44 O ATOM 715 OD2 ASP A 41 -6.463 -5.899 18.803 1.00 14.03 O ATOM 0 H ASP A 41 -4.516 -4.492 16.534 1.00 31.14 H new ATOM 0 HA ASP A 41 -6.770 -2.615 17.017 1.00 4.01 H new ATOM 0 HB2 ASP A 41 -4.811 -3.985 18.919 1.00 51.41 H new ATOM 0 HB3 ASP A 41 -6.017 -2.813 19.414 1.00 51.41 H new ATOM 720 N ALA A 42 -4.919 -0.987 16.084 1.00 41.25 N ATOM 721 CA ALA A 42 -4.211 0.292 15.884 1.00 25.55 C ATOM 722 C ALA A 42 -4.858 1.078 14.722 1.00 34.11 C ATOM 723 O ALA A 42 -5.070 0.527 13.635 1.00 30.40 O ATOM 724 CB ALA A 42 -2.708 0.068 15.629 1.00 41.12 C ATOM 0 H ALA A 42 -5.471 -1.277 15.276 1.00 41.25 H new ATOM 0 HA ALA A 42 -4.301 0.880 16.797 1.00 25.55 H new ATOM 0 HB1 ALA A 42 -2.216 1.030 15.486 1.00 41.12 H new ATOM 0 HB2 ALA A 42 -2.266 -0.442 16.485 1.00 41.12 H new ATOM 0 HB3 ALA A 42 -2.578 -0.543 14.736 1.00 41.12 H new ATOM 730 N SER A 43 -5.163 2.365 14.966 1.00 10.13 N ATOM 731 CA SER A 43 -5.846 3.244 13.984 1.00 22.22 C ATOM 732 C SER A 43 -4.834 3.871 12.991 1.00 0.03 C ATOM 733 O SER A 43 -3.626 3.641 13.099 1.00 2.42 O ATOM 734 CB SER A 43 -6.641 4.345 14.738 1.00 10.25 C ATOM 735 OG SER A 43 -7.395 5.168 13.853 1.00 24.22 O ATOM 0 H SER A 43 -4.946 2.830 15.847 1.00 10.13 H new ATOM 0 HA SER A 43 -6.541 2.642 13.399 1.00 22.22 H new ATOM 0 HB2 SER A 43 -7.313 3.877 15.457 1.00 10.25 H new ATOM 0 HB3 SER A 43 -5.948 4.966 15.307 1.00 10.25 H new ATOM 0 HG SER A 43 -7.880 5.845 14.369 1.00 24.22 H new ATOM 741 N VAL A 44 -5.344 4.651 12.020 1.00 23.31 N ATOM 742 CA VAL A 44 -4.511 5.374 11.033 1.00 70.12 C ATOM 743 C VAL A 44 -5.083 6.799 10.770 1.00 13.11 C ATOM 744 O VAL A 44 -6.092 6.984 10.079 1.00 53.40 O ATOM 745 CB VAL A 44 -4.351 4.537 9.698 1.00 43.22 C ATOM 746 CG1 VAL A 44 -5.718 4.035 9.175 1.00 34.02 C ATOM 747 CG2 VAL A 44 -3.569 5.328 8.602 1.00 73.31 C ATOM 0 H VAL A 44 -6.345 4.800 11.895 1.00 23.31 H new ATOM 0 HA VAL A 44 -3.511 5.497 11.449 1.00 70.12 H new ATOM 0 HB VAL A 44 -3.753 3.659 9.941 1.00 43.22 H new ATOM 0 HG11 VAL A 44 -5.570 3.465 8.258 1.00 34.02 H new ATOM 0 HG12 VAL A 44 -6.184 3.398 9.927 1.00 34.02 H new ATOM 0 HG13 VAL A 44 -6.365 4.888 8.971 1.00 34.02 H new ATOM 0 HG21 VAL A 44 -3.483 4.716 7.704 1.00 73.31 H new ATOM 0 HG22 VAL A 44 -4.105 6.247 8.365 1.00 73.31 H new ATOM 0 HG23 VAL A 44 -2.573 5.573 8.971 1.00 73.31 H new ATOM 757 N THR A 45 -4.436 7.799 11.390 1.00 4.14 N ATOM 758 CA THR A 45 -4.752 9.227 11.207 1.00 45.13 C ATOM 759 C THR A 45 -3.996 9.793 9.985 1.00 70.40 C ATOM 760 O THR A 45 -2.776 9.970 10.031 1.00 14.23 O ATOM 761 CB THR A 45 -4.370 10.039 12.499 1.00 12.41 C ATOM 762 OG1 THR A 45 -5.050 9.479 13.640 1.00 21.23 O ATOM 763 CG2 THR A 45 -4.717 11.542 12.379 1.00 62.34 C ATOM 0 H THR A 45 -3.668 7.637 12.042 1.00 4.14 H new ATOM 0 HA THR A 45 -5.824 9.325 11.032 1.00 45.13 H new ATOM 0 HB THR A 45 -3.290 9.962 12.623 1.00 12.41 H new ATOM 0 HG1 THR A 45 -4.810 9.985 14.444 1.00 21.23 H new ATOM 0 HG21 THR A 45 -4.433 12.055 13.298 1.00 62.34 H new ATOM 0 HG22 THR A 45 -4.174 11.975 11.539 1.00 62.34 H new ATOM 0 HG23 THR A 45 -5.789 11.656 12.216 1.00 62.34 H new ATOM 771 N VAL A 46 -4.726 10.059 8.887 1.00 31.45 N ATOM 772 CA VAL A 46 -4.147 10.661 7.665 1.00 32.31 C ATOM 773 C VAL A 46 -4.298 12.201 7.718 1.00 1.31 C ATOM 774 O VAL A 46 -5.390 12.740 7.492 1.00 10.04 O ATOM 775 CB VAL A 46 -4.803 10.086 6.347 1.00 4.41 C ATOM 776 CG1 VAL A 46 -4.072 10.605 5.079 1.00 34.23 C ATOM 777 CG2 VAL A 46 -4.840 8.534 6.366 1.00 24.00 C ATOM 0 H VAL A 46 -5.725 9.866 8.818 1.00 31.45 H new ATOM 0 HA VAL A 46 -3.089 10.399 7.635 1.00 32.31 H new ATOM 0 HB VAL A 46 -5.831 10.446 6.312 1.00 4.41 H new ATOM 0 HG11 VAL A 46 -4.548 10.191 4.190 1.00 34.23 H new ATOM 0 HG12 VAL A 46 -4.127 11.693 5.047 1.00 34.23 H new ATOM 0 HG13 VAL A 46 -3.027 10.296 5.109 1.00 34.23 H new ATOM 0 HG21 VAL A 46 -5.297 8.170 5.446 1.00 24.00 H new ATOM 0 HG22 VAL A 46 -3.824 8.147 6.445 1.00 24.00 H new ATOM 0 HG23 VAL A 46 -5.425 8.194 7.221 1.00 24.00 H new ATOM 787 N TYR A 47 -3.184 12.886 8.037 1.00 44.23 N ATOM 788 CA TYR A 47 -3.131 14.361 8.168 1.00 55.22 C ATOM 789 C TYR A 47 -3.276 15.048 6.788 1.00 52.44 C ATOM 790 O TYR A 47 -3.969 16.064 6.651 1.00 43.20 O ATOM 791 CB TYR A 47 -1.792 14.790 8.822 1.00 44.44 C ATOM 792 CG TYR A 47 -1.577 14.307 10.268 1.00 12.34 C ATOM 793 CD1 TYR A 47 -1.227 12.983 10.545 1.00 65.42 C ATOM 794 CD2 TYR A 47 -1.711 15.182 11.355 1.00 2.53 C ATOM 795 CE1 TYR A 47 -1.024 12.554 11.843 1.00 2.10 C ATOM 796 CE2 TYR A 47 -1.505 14.751 12.653 1.00 15.44 C ATOM 797 CZ TYR A 47 -1.163 13.439 12.892 1.00 20.03 C ATOM 798 OH TYR A 47 -0.958 13.008 14.189 1.00 25.22 O ATOM 0 H TYR A 47 -2.288 12.432 8.213 1.00 44.23 H new ATOM 0 HA TYR A 47 -3.963 14.673 8.800 1.00 55.22 H new ATOM 0 HB2 TYR A 47 -0.972 14.419 8.207 1.00 44.44 H new ATOM 0 HB3 TYR A 47 -1.733 15.878 8.808 1.00 44.44 H new ATOM 0 HD1 TYR A 47 -1.113 12.283 9.731 1.00 65.42 H new ATOM 0 HD2 TYR A 47 -1.980 16.212 11.175 1.00 2.53 H new ATOM 0 HE1 TYR A 47 -0.756 11.526 12.036 1.00 2.10 H new ATOM 0 HE2 TYR A 47 -1.612 15.442 13.476 1.00 15.44 H new ATOM 0 HH TYR A 47 -1.095 13.756 14.808 1.00 25.22 H new ATOM 808 N ASP A 48 -2.604 14.470 5.777 1.00 53.04 N ATOM 809 CA ASP A 48 -2.597 14.995 4.399 1.00 54.02 C ATOM 810 C ASP A 48 -2.316 13.852 3.394 1.00 24.31 C ATOM 811 O ASP A 48 -1.687 12.851 3.743 1.00 72.44 O ATOM 812 CB ASP A 48 -1.537 16.123 4.273 1.00 63.13 C ATOM 813 CG ASP A 48 -1.556 16.830 2.910 1.00 73.20 C ATOM 814 OD1 ASP A 48 -2.649 17.261 2.472 1.00 40.12 O ATOM 815 OD2 ASP A 48 -0.488 16.982 2.277 1.00 2.45 O ATOM 0 H ASP A 48 -2.048 13.623 5.892 1.00 53.04 H new ATOM 0 HA ASP A 48 -3.576 15.414 4.167 1.00 54.02 H new ATOM 0 HB2 ASP A 48 -1.707 16.860 5.058 1.00 63.13 H new ATOM 0 HB3 ASP A 48 -0.546 15.701 4.441 1.00 63.13 H new ATOM 820 N PHE A 49 -2.783 14.009 2.148 1.00 41.30 N ATOM 821 CA PHE A 49 -2.649 12.973 1.104 1.00 15.21 C ATOM 822 C PHE A 49 -2.645 13.635 -0.292 1.00 71.52 C ATOM 823 O PHE A 49 -3.471 14.511 -0.570 1.00 13.00 O ATOM 824 CB PHE A 49 -3.831 11.973 1.235 1.00 12.14 C ATOM 825 CG PHE A 49 -3.629 10.589 0.603 1.00 61.11 C ATOM 826 CD1 PHE A 49 -3.746 10.390 -0.770 1.00 4.33 C ATOM 827 CD2 PHE A 49 -3.368 9.471 1.405 1.00 44.11 C ATOM 828 CE1 PHE A 49 -3.600 9.129 -1.315 1.00 12.40 C ATOM 829 CE2 PHE A 49 -3.231 8.215 0.853 1.00 60.33 C ATOM 830 CZ PHE A 49 -3.347 8.044 -0.505 1.00 54.24 C ATOM 0 H PHE A 49 -3.263 14.852 1.832 1.00 41.30 H new ATOM 0 HA PHE A 49 -1.709 12.435 1.228 1.00 15.21 H new ATOM 0 HB2 PHE A 49 -4.047 11.836 2.295 1.00 12.14 H new ATOM 0 HB3 PHE A 49 -4.714 12.428 0.786 1.00 12.14 H new ATOM 0 HD1 PHE A 49 -3.953 11.230 -1.416 1.00 4.33 H new ATOM 0 HD2 PHE A 49 -3.272 9.595 2.474 1.00 44.11 H new ATOM 0 HE1 PHE A 49 -3.685 8.993 -2.383 1.00 12.40 H new ATOM 0 HE2 PHE A 49 -3.032 7.365 1.489 1.00 60.33 H new ATOM 0 HZ PHE A 49 -3.240 7.060 -0.937 1.00 54.24 H new ATOM 840 N ASN A 50 -1.712 13.207 -1.155 1.00 14.33 N ATOM 841 CA ASN A 50 -1.633 13.665 -2.553 1.00 72.44 C ATOM 842 C ASN A 50 -0.960 12.574 -3.410 1.00 11.01 C ATOM 843 O ASN A 50 0.253 12.392 -3.353 1.00 72.41 O ATOM 844 CB ASN A 50 -0.854 15.012 -2.630 1.00 73.04 C ATOM 845 CG ASN A 50 -0.859 15.657 -4.017 1.00 74.24 C ATOM 846 OD1 ASN A 50 -1.790 15.477 -4.802 1.00 10.45 O ATOM 847 ND2 ASN A 50 0.162 16.433 -4.320 1.00 54.33 N ATOM 0 H ASN A 50 -0.989 12.532 -0.904 1.00 14.33 H new ATOM 0 HA ASN A 50 -2.636 13.840 -2.943 1.00 72.44 H new ATOM 0 HB2 ASN A 50 -1.287 15.711 -1.914 1.00 73.04 H new ATOM 0 HB3 ASN A 50 0.178 14.841 -2.324 1.00 73.04 H new ATOM 0 HD21 ASN A 50 0.195 16.903 -5.225 1.00 54.33 H new ATOM 0 HD22 ASN A 50 0.920 16.564 -3.650 1.00 54.33 H new ATOM 854 N ALA A 51 -1.764 11.836 -4.188 1.00 11.11 N ATOM 855 CA ALA A 51 -1.271 10.736 -5.036 1.00 72.33 C ATOM 856 C ALA A 51 -1.402 11.092 -6.526 1.00 50.23 C ATOM 857 O ALA A 51 -2.507 11.096 -7.087 1.00 53.11 O ATOM 858 CB ALA A 51 -2.016 9.446 -4.701 1.00 41.33 C ATOM 0 H ALA A 51 -2.772 11.982 -4.249 1.00 11.11 H new ATOM 0 HA ALA A 51 -0.211 10.581 -4.833 1.00 72.33 H new ATOM 0 HB1 ALA A 51 -1.646 8.638 -5.332 1.00 41.33 H new ATOM 0 HB2 ALA A 51 -1.852 9.193 -3.654 1.00 41.33 H new ATOM 0 HB3 ALA A 51 -3.082 9.585 -4.878 1.00 41.33 H new ATOM 864 N THR A 52 -0.256 11.398 -7.147 1.00 74.33 N ATOM 865 CA THR A 52 -0.180 11.864 -8.546 1.00 15.13 C ATOM 866 C THR A 52 1.256 11.689 -9.090 1.00 25.44 C ATOM 867 O THR A 52 2.141 11.182 -8.382 1.00 71.04 O ATOM 868 CB THR A 52 -0.625 13.375 -8.658 1.00 23.51 C ATOM 869 OG1 THR A 52 -0.599 13.814 -10.029 1.00 15.52 O ATOM 870 CG2 THR A 52 0.252 14.314 -7.802 1.00 11.34 C ATOM 0 H THR A 52 0.655 11.330 -6.693 1.00 74.33 H new ATOM 0 HA THR A 52 -0.861 11.260 -9.146 1.00 15.13 H new ATOM 0 HB THR A 52 -1.644 13.426 -8.274 1.00 23.51 H new ATOM 0 HG1 THR A 52 -0.879 14.752 -10.078 1.00 15.52 H new ATOM 0 HG21 THR A 52 -0.096 15.341 -7.915 1.00 11.34 H new ATOM 0 HG22 THR A 52 0.184 14.021 -6.754 1.00 11.34 H new ATOM 0 HG23 THR A 52 1.289 14.244 -8.131 1.00 11.34 H new ATOM 878 N LYS A 53 1.469 12.077 -10.358 1.00 0.22 N ATOM 879 CA LYS A 53 2.809 12.151 -10.970 1.00 2.13 C ATOM 880 C LYS A 53 3.666 13.208 -10.207 1.00 0.45 C ATOM 881 O LYS A 53 3.624 14.399 -10.526 1.00 4.52 O ATOM 882 CB LYS A 53 2.673 12.534 -12.485 1.00 40.02 C ATOM 883 CG LYS A 53 3.777 11.964 -13.419 1.00 62.31 C ATOM 884 CD LYS A 53 3.436 10.545 -13.947 1.00 75.11 C ATOM 885 CE LYS A 53 2.209 10.560 -14.883 1.00 45.24 C ATOM 886 NZ LYS A 53 1.837 9.207 -15.357 1.00 73.45 N ATOM 0 H LYS A 53 0.716 12.349 -10.990 1.00 0.22 H new ATOM 0 HA LYS A 53 3.304 11.183 -10.901 1.00 2.13 H new ATOM 0 HB2 LYS A 53 1.703 12.189 -12.844 1.00 40.02 H new ATOM 0 HB3 LYS A 53 2.675 13.621 -12.569 1.00 40.02 H new ATOM 0 HG2 LYS A 53 3.917 12.638 -14.264 1.00 62.31 H new ATOM 0 HG3 LYS A 53 4.723 11.929 -12.879 1.00 62.31 H new ATOM 0 HD2 LYS A 53 4.295 10.140 -14.481 1.00 75.11 H new ATOM 0 HD3 LYS A 53 3.242 9.881 -13.105 1.00 75.11 H new ATOM 0 HE2 LYS A 53 1.362 11.003 -14.359 1.00 45.24 H new ATOM 0 HE3 LYS A 53 2.420 11.197 -15.742 1.00 45.24 H new ATOM 0 HZ1 LYS A 53 1.343 9.282 -16.269 1.00 73.45 H new ATOM 0 HZ2 LYS A 53 2.696 8.632 -15.475 1.00 73.45 H new ATOM 0 HZ3 LYS A 53 1.211 8.755 -14.660 1.00 73.45 H new ATOM 900 N GLY A 54 4.393 12.769 -9.165 1.00 10.01 N ATOM 901 CA GLY A 54 5.125 13.690 -8.278 1.00 51.41 C ATOM 902 C GLY A 54 4.292 14.178 -7.080 1.00 3.33 C ATOM 903 O GLY A 54 4.207 15.385 -6.825 1.00 5.30 O ATOM 0 H GLY A 54 4.489 11.784 -8.917 1.00 10.01 H new ATOM 0 HA2 GLY A 54 6.021 13.191 -7.909 1.00 51.41 H new ATOM 0 HA3 GLY A 54 5.456 14.553 -8.856 1.00 51.41 H new ATOM 907 N GLY A 55 3.666 13.231 -6.349 1.00 74.42 N ATOM 908 CA GLY A 55 2.902 13.533 -5.114 1.00 42.20 C ATOM 909 C GLY A 55 3.546 12.979 -3.830 1.00 74.30 C ATOM 910 O GLY A 55 4.649 12.429 -3.876 1.00 3.41 O ATOM 0 H GLY A 55 3.674 12.241 -6.594 1.00 74.42 H new ATOM 0 HA2 GLY A 55 2.797 14.614 -5.019 1.00 42.20 H new ATOM 0 HA3 GLY A 55 1.897 13.122 -5.211 1.00 42.20 H new ATOM 914 N SER A 56 2.847 13.141 -2.678 1.00 24.15 N ATOM 915 CA SER A 56 3.285 12.623 -1.341 1.00 72.13 C ATOM 916 C SER A 56 2.057 12.447 -0.399 1.00 13.10 C ATOM 917 O SER A 56 1.088 13.201 -0.500 1.00 4.23 O ATOM 918 CB SER A 56 4.326 13.575 -0.674 1.00 44.30 C ATOM 919 OG SER A 56 5.508 13.697 -1.451 1.00 34.04 O ATOM 0 H SER A 56 1.956 13.637 -2.642 1.00 24.15 H new ATOM 0 HA SER A 56 3.760 11.655 -1.502 1.00 72.13 H new ATOM 0 HB2 SER A 56 3.880 14.560 -0.535 1.00 44.30 H new ATOM 0 HB3 SER A 56 4.580 13.198 0.316 1.00 44.30 H new ATOM 0 HG SER A 56 5.414 13.173 -2.274 1.00 34.04 H new ATOM 925 N ALA A 57 2.102 11.469 0.534 1.00 4.40 N ATOM 926 CA ALA A 57 0.967 11.178 1.462 1.00 51.45 C ATOM 927 C ALA A 57 1.432 11.060 2.933 1.00 12.31 C ATOM 928 O ALA A 57 2.097 10.095 3.289 1.00 11.20 O ATOM 929 CB ALA A 57 0.252 9.888 1.021 1.00 41.21 C ATOM 0 H ALA A 57 2.911 10.863 0.670 1.00 4.40 H new ATOM 0 HA ALA A 57 0.273 12.017 1.411 1.00 51.45 H new ATOM 0 HB1 ALA A 57 -0.575 9.680 1.700 1.00 41.21 H new ATOM 0 HB2 ALA A 57 -0.133 10.013 0.009 1.00 41.21 H new ATOM 0 HB3 ALA A 57 0.956 9.056 1.041 1.00 41.21 H new ATOM 935 N PHE A 58 1.048 12.038 3.784 1.00 44.21 N ATOM 936 CA PHE A 58 1.440 12.090 5.218 1.00 13.42 C ATOM 937 C PHE A 58 0.326 11.505 6.126 1.00 31.12 C ATOM 938 O PHE A 58 -0.741 12.106 6.301 1.00 15.15 O ATOM 939 CB PHE A 58 1.767 13.557 5.623 1.00 12.53 C ATOM 940 CG PHE A 58 2.211 13.764 7.081 1.00 61.13 C ATOM 941 CD1 PHE A 58 3.169 12.938 7.676 1.00 41.32 C ATOM 942 CD2 PHE A 58 1.694 14.810 7.843 1.00 2.50 C ATOM 943 CE1 PHE A 58 3.585 13.151 8.977 1.00 74.42 C ATOM 944 CE2 PHE A 58 2.106 15.018 9.146 1.00 3.32 C ATOM 945 CZ PHE A 58 3.052 14.192 9.711 1.00 44.40 C ATOM 0 H PHE A 58 0.456 12.818 3.498 1.00 44.21 H new ATOM 0 HA PHE A 58 2.331 11.477 5.355 1.00 13.42 H new ATOM 0 HB2 PHE A 58 2.554 13.929 4.967 1.00 12.53 H new ATOM 0 HB3 PHE A 58 0.884 14.170 5.441 1.00 12.53 H new ATOM 0 HD1 PHE A 58 3.591 12.120 7.110 1.00 41.32 H new ATOM 0 HD2 PHE A 58 0.958 15.470 7.408 1.00 2.50 H new ATOM 0 HE1 PHE A 58 4.327 12.503 9.419 1.00 74.42 H new ATOM 0 HE2 PHE A 58 1.685 15.829 9.722 1.00 3.32 H new ATOM 0 HZ PHE A 58 3.377 14.358 10.727 1.00 44.40 H new ATOM 955 N TYR A 59 0.598 10.332 6.713 1.00 3.11 N ATOM 956 CA TYR A 59 -0.331 9.639 7.638 1.00 44.41 C ATOM 957 C TYR A 59 0.423 9.083 8.870 1.00 51.53 C ATOM 958 O TYR A 59 1.653 9.161 8.939 1.00 32.30 O ATOM 959 CB TYR A 59 -1.108 8.519 6.884 1.00 12.42 C ATOM 960 CG TYR A 59 -0.233 7.488 6.141 1.00 24.35 C ATOM 961 CD1 TYR A 59 0.197 7.719 4.828 1.00 4.14 C ATOM 962 CD2 TYR A 59 0.155 6.293 6.751 1.00 2.03 C ATOM 963 CE1 TYR A 59 0.979 6.797 4.157 1.00 2.13 C ATOM 964 CE2 TYR A 59 0.935 5.370 6.083 1.00 60.21 C ATOM 965 CZ TYR A 59 1.342 5.625 4.788 1.00 34.25 C ATOM 966 OH TYR A 59 2.118 4.700 4.119 1.00 55.24 O ATOM 0 H TYR A 59 1.472 9.828 6.564 1.00 3.11 H new ATOM 0 HA TYR A 59 -1.059 10.362 8.007 1.00 44.41 H new ATOM 0 HB2 TYR A 59 -1.733 7.988 7.602 1.00 12.42 H new ATOM 0 HB3 TYR A 59 -1.778 8.988 6.163 1.00 12.42 H new ATOM 0 HD1 TYR A 59 -0.088 8.634 4.330 1.00 4.14 H new ATOM 0 HD2 TYR A 59 -0.161 6.087 7.763 1.00 2.03 H new ATOM 0 HE1 TYR A 59 1.303 6.993 3.146 1.00 2.13 H new ATOM 0 HE2 TYR A 59 1.226 4.452 6.571 1.00 60.21 H new ATOM 0 HH TYR A 59 2.286 3.931 4.703 1.00 55.24 H new ATOM 976 N ALA A 60 -0.328 8.524 9.844 1.00 61.30 N ATOM 977 CA ALA A 60 0.248 8.030 11.114 1.00 51.22 C ATOM 978 C ALA A 60 -0.588 6.894 11.737 1.00 51.34 C ATOM 979 O ALA A 60 -1.785 7.043 11.946 1.00 3.02 O ATOM 980 CB ALA A 60 0.378 9.186 12.114 1.00 22.23 C ATOM 0 H ALA A 60 -1.338 8.403 9.774 1.00 61.30 H new ATOM 0 HA ALA A 60 1.232 7.622 10.884 1.00 51.22 H new ATOM 0 HB1 ALA A 60 0.803 8.814 13.047 1.00 22.23 H new ATOM 0 HB2 ALA A 60 1.030 9.954 11.699 1.00 22.23 H new ATOM 0 HB3 ALA A 60 -0.606 9.612 12.308 1.00 22.23 H new ATOM 986 N ILE A 61 0.076 5.776 12.046 1.00 31.21 N ATOM 987 CA ILE A 61 -0.512 4.643 12.780 1.00 3.21 C ATOM 988 C ILE A 61 -0.603 4.965 14.297 1.00 41.23 C ATOM 989 O ILE A 61 0.422 5.099 14.981 1.00 64.14 O ATOM 990 CB ILE A 61 0.341 3.332 12.545 1.00 73.15 C ATOM 991 CG1 ILE A 61 0.310 2.911 11.036 1.00 34.50 C ATOM 992 CG2 ILE A 61 -0.091 2.160 13.476 1.00 10.13 C ATOM 993 CD1 ILE A 61 -1.071 2.564 10.484 1.00 33.14 C ATOM 0 H ILE A 61 1.052 5.627 11.791 1.00 31.21 H new ATOM 0 HA ILE A 61 -1.520 4.474 12.402 1.00 3.21 H new ATOM 0 HB ILE A 61 1.371 3.569 12.812 1.00 73.15 H new ATOM 0 HG12 ILE A 61 0.728 3.723 10.441 1.00 34.50 H new ATOM 0 HG13 ILE A 61 0.964 2.049 10.903 1.00 34.50 H new ATOM 0 HG21 ILE A 61 0.528 1.286 13.272 1.00 10.13 H new ATOM 0 HG22 ILE A 61 0.034 2.457 14.517 1.00 10.13 H new ATOM 0 HG23 ILE A 61 -1.137 1.915 13.291 1.00 10.13 H new ATOM 0 HD11 ILE A 61 -0.984 2.286 9.434 1.00 33.14 H new ATOM 0 HD12 ILE A 61 -1.488 1.729 11.047 1.00 33.14 H new ATOM 0 HD13 ILE A 61 -1.728 3.429 10.577 1.00 33.14 H new ATOM 1005 N GLN A 62 -1.842 5.121 14.799 1.00 40.35 N ATOM 1006 CA GLN A 62 -2.119 5.279 16.240 1.00 72.25 C ATOM 1007 C GLN A 62 -2.086 3.895 16.935 1.00 50.34 C ATOM 1008 O GLN A 62 -3.071 3.156 16.915 1.00 70.20 O ATOM 1009 CB GLN A 62 -3.509 5.994 16.465 1.00 42.13 C ATOM 1010 CG GLN A 62 -3.452 7.397 17.132 1.00 44.51 C ATOM 1011 CD GLN A 62 -3.273 7.411 18.672 1.00 4.22 C ATOM 1012 OE1 GLN A 62 -2.535 6.472 19.253 1.00 73.34 O flip ATOM 1013 NE2 GLN A 62 -3.777 8.304 19.344 1.00 55.21 N flip ATOM 0 H GLN A 62 -2.680 5.141 14.217 1.00 40.35 H new ATOM 0 HA GLN A 62 -1.347 5.909 16.683 1.00 72.25 H new ATOM 0 HB2 GLN A 62 -4.005 6.092 15.500 1.00 42.13 H new ATOM 0 HB3 GLN A 62 -4.133 5.346 17.080 1.00 42.13 H new ATOM 0 HG2 GLN A 62 -2.630 7.956 16.686 1.00 44.51 H new ATOM 0 HG3 GLN A 62 -4.370 7.931 16.888 1.00 44.51 H new ATOM 0 HE21 GLN A 62 -4.343 9.023 18.894 1.00 55.21 H new ATOM 0 HE22 GLN A 62 -3.630 8.328 20.353 1.00 55.21 H new ATOM 1022 N ALA A 63 -0.945 3.577 17.550 1.00 64.40 N ATOM 1023 CA ALA A 63 -0.734 2.331 18.319 1.00 44.04 C ATOM 1024 C ALA A 63 -1.147 2.535 19.807 1.00 34.04 C ATOM 1025 O ALA A 63 -1.207 3.683 20.266 1.00 23.30 O ATOM 1026 CB ALA A 63 0.749 1.919 18.185 1.00 41.50 C ATOM 0 H ALA A 63 -0.124 4.182 17.532 1.00 64.40 H new ATOM 0 HA ALA A 63 -1.359 1.531 17.924 1.00 44.04 H new ATOM 0 HB1 ALA A 63 0.924 1.001 18.746 1.00 41.50 H new ATOM 0 HB2 ALA A 63 0.987 1.753 17.134 1.00 41.50 H new ATOM 0 HB3 ALA A 63 1.384 2.712 18.580 1.00 41.50 H new ATOM 1032 N PRO A 64 -1.421 1.429 20.596 1.00 2.31 N ATOM 1033 CA PRO A 64 -1.894 1.537 22.018 1.00 25.23 C ATOM 1034 C PRO A 64 -0.911 2.268 22.988 1.00 32.22 C ATOM 1035 O PRO A 64 -1.311 2.647 24.097 1.00 20.02 O ATOM 1036 CB PRO A 64 -2.092 0.045 22.441 1.00 52.32 C ATOM 1037 CG PRO A 64 -1.238 -0.740 21.488 1.00 73.24 C ATOM 1038 CD PRO A 64 -1.335 -0.005 20.173 1.00 51.10 C ATOM 0 HA PRO A 64 -2.793 2.151 22.079 1.00 25.23 H new ATOM 0 HB2 PRO A 64 -1.784 -0.118 23.474 1.00 52.32 H new ATOM 0 HB3 PRO A 64 -3.139 -0.251 22.370 1.00 52.32 H new ATOM 0 HG2 PRO A 64 -0.206 -0.792 21.835 1.00 73.24 H new ATOM 0 HG3 PRO A 64 -1.594 -1.766 21.393 1.00 73.24 H new ATOM 0 HD2 PRO A 64 -0.465 -0.189 19.543 1.00 51.10 H new ATOM 0 HD3 PRO A 64 -2.212 -0.311 19.603 1.00 51.10 H new ATOM 1046 N GLN A 65 0.367 2.455 22.579 1.00 10.31 N ATOM 1047 CA GLN A 65 1.409 3.082 23.440 1.00 21.04 C ATOM 1048 C GLN A 65 2.199 4.213 22.720 1.00 74.23 C ATOM 1049 O GLN A 65 3.073 4.839 23.336 1.00 61.55 O ATOM 1050 CB GLN A 65 2.393 1.986 23.941 1.00 5.12 C ATOM 1051 CG GLN A 65 3.199 1.281 22.823 1.00 14.23 C ATOM 1052 CD GLN A 65 4.188 0.244 23.358 1.00 24.11 C ATOM 1053 OE1 GLN A 65 3.870 -0.930 23.490 1.00 22.02 O ATOM 1054 NE2 GLN A 65 5.386 0.677 23.689 1.00 24.11 N ATOM 0 H GLN A 65 0.705 2.181 21.657 1.00 10.31 H new ATOM 0 HA GLN A 65 0.894 3.548 24.280 1.00 21.04 H new ATOM 0 HB2 GLN A 65 3.092 2.439 24.644 1.00 5.12 H new ATOM 0 HB3 GLN A 65 1.828 1.234 24.492 1.00 5.12 H new ATOM 0 HG2 GLN A 65 2.507 0.794 22.137 1.00 14.23 H new ATOM 0 HG3 GLN A 65 3.743 2.030 22.248 1.00 14.23 H new ATOM 0 HE21 GLN A 65 5.624 1.661 23.568 1.00 24.11 H new ATOM 0 HE22 GLN A 65 6.077 0.028 24.066 1.00 24.11 H new ATOM 1063 N MET A 66 1.874 4.489 21.436 1.00 24.41 N ATOM 1064 CA MET A 66 2.667 5.420 20.577 1.00 2.40 C ATOM 1065 C MET A 66 1.914 5.803 19.284 1.00 45.22 C ATOM 1066 O MET A 66 0.909 5.194 18.934 1.00 32.01 O ATOM 1067 CB MET A 66 4.048 4.801 20.206 1.00 11.24 C ATOM 1068 CG MET A 66 3.971 3.417 19.538 1.00 43.02 C ATOM 1069 SD MET A 66 5.568 2.841 18.929 1.00 35.20 S ATOM 1070 CE MET A 66 5.860 3.983 17.579 1.00 74.02 C ATOM 0 H MET A 66 1.066 4.082 20.964 1.00 24.41 H new ATOM 0 HA MET A 66 2.822 6.325 21.164 1.00 2.40 H new ATOM 0 HB2 MET A 66 4.570 5.485 19.536 1.00 11.24 H new ATOM 0 HB3 MET A 66 4.650 4.720 21.111 1.00 11.24 H new ATOM 0 HG2 MET A 66 3.579 2.695 20.254 1.00 43.02 H new ATOM 0 HG3 MET A 66 3.265 3.458 18.709 1.00 43.02 H new ATOM 0 HE1 MET A 66 6.264 3.440 16.724 1.00 74.02 H new ATOM 0 HE2 MET A 66 4.921 4.459 17.296 1.00 74.02 H new ATOM 0 HE3 MET A 66 6.572 4.745 17.895 1.00 74.02 H new ATOM 1080 N ILE A 67 2.404 6.852 18.592 1.00 12.54 N ATOM 1081 CA ILE A 67 1.918 7.242 17.244 1.00 72.35 C ATOM 1082 C ILE A 67 3.123 7.287 16.276 1.00 51.44 C ATOM 1083 O ILE A 67 4.031 8.107 16.458 1.00 71.40 O ATOM 1084 CB ILE A 67 1.194 8.650 17.255 1.00 33.33 C ATOM 1085 CG1 ILE A 67 0.119 8.718 18.387 1.00 15.11 C ATOM 1086 CG2 ILE A 67 0.551 8.949 15.872 1.00 14.51 C ATOM 1087 CD1 ILE A 67 -0.589 10.059 18.528 1.00 43.50 C ATOM 0 H ILE A 67 3.146 7.454 18.947 1.00 12.54 H new ATOM 0 HA ILE A 67 1.186 6.503 16.919 1.00 72.35 H new ATOM 0 HB ILE A 67 1.946 9.413 17.456 1.00 33.33 H new ATOM 0 HG12 ILE A 67 -0.630 7.948 18.202 1.00 15.11 H new ATOM 0 HG13 ILE A 67 0.598 8.476 19.336 1.00 15.11 H new ATOM 0 HG21 ILE A 67 0.059 9.921 15.902 1.00 14.51 H new ATOM 0 HG22 ILE A 67 1.325 8.958 15.105 1.00 14.51 H new ATOM 0 HG23 ILE A 67 -0.183 8.178 15.638 1.00 14.51 H new ATOM 0 HD11 ILE A 67 -1.315 10.004 19.339 1.00 43.50 H new ATOM 0 HD12 ILE A 67 0.143 10.836 18.748 1.00 43.50 H new ATOM 0 HD13 ILE A 67 -1.103 10.299 17.597 1.00 43.50 H new ATOM 1099 N SER A 68 3.145 6.390 15.271 1.00 43.23 N ATOM 1100 CA SER A 68 4.253 6.309 14.278 1.00 2.32 C ATOM 1101 C SER A 68 3.803 6.826 12.897 1.00 2.11 C ATOM 1102 O SER A 68 2.787 6.398 12.367 1.00 72.05 O ATOM 1103 CB SER A 68 4.768 4.854 14.154 1.00 43.32 C ATOM 1104 OG SER A 68 3.728 3.954 13.794 1.00 33.01 O ATOM 0 H SER A 68 2.406 5.704 15.118 1.00 43.23 H new ATOM 0 HA SER A 68 5.064 6.944 14.635 1.00 2.32 H new ATOM 0 HB2 SER A 68 5.560 4.811 13.407 1.00 43.32 H new ATOM 0 HB3 SER A 68 5.207 4.542 15.102 1.00 43.32 H new ATOM 0 HG SER A 68 4.091 3.046 13.723 1.00 33.01 H new ATOM 1110 N TYR A 69 4.608 7.717 12.310 1.00 44.24 N ATOM 1111 CA TYR A 69 4.278 8.450 11.067 1.00 54.52 C ATOM 1112 C TYR A 69 5.007 7.843 9.843 1.00 11.25 C ATOM 1113 O TYR A 69 6.121 7.324 9.971 1.00 24.00 O ATOM 1114 CB TYR A 69 4.657 9.954 11.236 1.00 54.32 C ATOM 1115 CG TYR A 69 3.928 10.670 12.393 1.00 63.11 C ATOM 1116 CD1 TYR A 69 4.198 10.348 13.725 1.00 0.24 C ATOM 1117 CD2 TYR A 69 2.958 11.643 12.157 1.00 51.40 C ATOM 1118 CE1 TYR A 69 3.534 10.961 14.765 1.00 61.51 C ATOM 1119 CE2 TYR A 69 2.286 12.260 13.198 1.00 31.00 C ATOM 1120 CZ TYR A 69 2.574 11.916 14.498 1.00 44.34 C ATOM 1121 OH TYR A 69 1.889 12.529 15.534 1.00 31.02 O ATOM 0 H TYR A 69 5.525 7.959 12.686 1.00 44.24 H new ATOM 0 HA TYR A 69 3.207 8.362 10.887 1.00 54.52 H new ATOM 0 HB2 TYR A 69 5.732 10.029 11.399 1.00 54.32 H new ATOM 0 HB3 TYR A 69 4.438 10.478 10.306 1.00 54.32 H new ATOM 0 HD1 TYR A 69 4.946 9.600 13.945 1.00 0.24 H new ATOM 0 HD2 TYR A 69 2.726 11.921 11.140 1.00 51.40 H new ATOM 0 HE1 TYR A 69 3.764 10.695 15.786 1.00 61.51 H new ATOM 0 HE2 TYR A 69 1.537 13.010 12.990 1.00 31.00 H new ATOM 0 HH TYR A 69 0.971 12.721 15.250 1.00 31.02 H new ATOM 1131 N THR A 70 4.365 7.917 8.659 1.00 20.53 N ATOM 1132 CA THR A 70 4.930 7.420 7.375 1.00 64.32 C ATOM 1133 C THR A 70 4.437 8.307 6.203 1.00 14.43 C ATOM 1134 O THR A 70 3.252 8.659 6.135 1.00 74.02 O ATOM 1135 CB THR A 70 4.550 5.915 7.093 1.00 45.43 C ATOM 1136 OG1 THR A 70 5.077 5.057 8.125 1.00 41.13 O ATOM 1137 CG2 THR A 70 5.063 5.420 5.721 1.00 33.04 C ATOM 0 H THR A 70 3.435 8.324 8.560 1.00 20.53 H new ATOM 0 HA THR A 70 6.015 7.475 7.458 1.00 64.32 H new ATOM 0 HB THR A 70 3.461 5.870 7.085 1.00 45.43 H new ATOM 0 HG1 THR A 70 4.831 4.128 7.935 1.00 41.13 H new ATOM 0 HG21 THR A 70 4.774 4.379 5.579 1.00 33.04 H new ATOM 0 HG22 THR A 70 4.628 6.029 4.929 1.00 33.04 H new ATOM 0 HG23 THR A 70 6.149 5.503 5.687 1.00 33.04 H new ATOM 1145 N ILE A 71 5.366 8.684 5.302 1.00 74.02 N ATOM 1146 CA ILE A 71 5.052 9.416 4.056 1.00 23.12 C ATOM 1147 C ILE A 71 5.407 8.555 2.827 1.00 31.22 C ATOM 1148 O ILE A 71 6.547 8.131 2.668 1.00 1.02 O ATOM 1149 CB ILE A 71 5.812 10.803 3.983 1.00 15.50 C ATOM 1150 CG1 ILE A 71 5.325 11.739 5.130 1.00 41.51 C ATOM 1151 CG2 ILE A 71 5.633 11.493 2.596 1.00 20.50 C ATOM 1152 CD1 ILE A 71 6.068 13.054 5.265 1.00 5.30 C ATOM 0 H ILE A 71 6.360 8.489 5.418 1.00 74.02 H new ATOM 0 HA ILE A 71 3.982 9.622 4.057 1.00 23.12 H new ATOM 0 HB ILE A 71 6.877 10.607 4.109 1.00 15.50 H new ATOM 0 HG12 ILE A 71 4.268 11.954 4.974 1.00 41.51 H new ATOM 0 HG13 ILE A 71 5.405 11.199 6.073 1.00 41.51 H new ATOM 0 HG21 ILE A 71 6.170 12.441 2.589 1.00 20.50 H new ATOM 0 HG22 ILE A 71 6.029 10.846 1.814 1.00 20.50 H new ATOM 0 HG23 ILE A 71 4.574 11.675 2.414 1.00 20.50 H new ATOM 0 HD11 ILE A 71 5.648 13.626 6.092 1.00 5.30 H new ATOM 0 HD12 ILE A 71 7.123 12.858 5.458 1.00 5.30 H new ATOM 0 HD13 ILE A 71 5.968 13.625 4.342 1.00 5.30 H new ATOM 1164 N ALA A 72 4.418 8.311 1.954 1.00 15.24 N ATOM 1165 CA ALA A 72 4.654 7.658 0.653 1.00 12.14 C ATOM 1166 C ALA A 72 4.750 8.743 -0.437 1.00 11.14 C ATOM 1167 O ALA A 72 3.773 9.450 -0.687 1.00 43.41 O ATOM 1168 CB ALA A 72 3.510 6.667 0.362 1.00 65.23 C ATOM 0 H ALA A 72 3.443 8.556 2.125 1.00 15.24 H new ATOM 0 HA ALA A 72 5.589 7.097 0.669 1.00 12.14 H new ATOM 0 HB1 ALA A 72 3.683 6.184 -0.599 1.00 65.23 H new ATOM 0 HB2 ALA A 72 3.475 5.911 1.147 1.00 65.23 H new ATOM 0 HB3 ALA A 72 2.562 7.204 0.332 1.00 65.23 H new ATOM 1174 N GLU A 73 5.931 8.887 -1.074 1.00 23.03 N ATOM 1175 CA GLU A 73 6.139 9.887 -2.142 1.00 74.32 C ATOM 1176 C GLU A 73 5.943 9.251 -3.530 1.00 74.04 C ATOM 1177 O GLU A 73 6.772 8.470 -3.993 1.00 32.41 O ATOM 1178 CB GLU A 73 7.544 10.531 -2.019 1.00 73.02 C ATOM 1179 CG GLU A 73 7.792 11.252 -0.668 1.00 14.04 C ATOM 1180 CD GLU A 73 8.984 12.218 -0.714 1.00 72.14 C ATOM 1181 OE1 GLU A 73 8.876 13.265 -1.393 1.00 34.41 O ATOM 1182 OE2 GLU A 73 10.032 11.939 -0.103 1.00 11.13 O ATOM 0 H GLU A 73 6.755 8.323 -0.867 1.00 23.03 H new ATOM 0 HA GLU A 73 5.394 10.674 -2.026 1.00 74.32 H new ATOM 0 HB2 GLU A 73 8.300 9.757 -2.150 1.00 73.02 H new ATOM 0 HB3 GLU A 73 7.677 11.246 -2.831 1.00 73.02 H new ATOM 0 HG2 GLU A 73 6.895 11.804 -0.387 1.00 14.04 H new ATOM 0 HG3 GLU A 73 7.965 10.507 0.109 1.00 14.04 H new ATOM 1189 N TYR A 74 4.863 9.654 -4.202 1.00 21.44 N ATOM 1190 CA TYR A 74 4.431 9.076 -5.486 1.00 63.22 C ATOM 1191 C TYR A 74 5.262 9.638 -6.654 1.00 72.53 C ATOM 1192 O TYR A 74 5.100 10.793 -7.028 1.00 31.33 O ATOM 1193 CB TYR A 74 2.920 9.343 -5.686 1.00 3.23 C ATOM 1194 CG TYR A 74 2.047 8.748 -4.570 1.00 31.13 C ATOM 1195 CD1 TYR A 74 1.806 9.458 -3.393 1.00 4.12 C ATOM 1196 CD2 TYR A 74 1.480 7.473 -4.683 1.00 62.54 C ATOM 1197 CE1 TYR A 74 1.040 8.926 -2.379 1.00 52.05 C ATOM 1198 CE2 TYR A 74 0.707 6.937 -3.665 1.00 60.21 C ATOM 1199 CZ TYR A 74 0.492 7.670 -2.514 1.00 72.20 C ATOM 1200 OH TYR A 74 -0.279 7.149 -1.496 1.00 1.34 O ATOM 0 H TYR A 74 4.253 10.400 -3.869 1.00 21.44 H new ATOM 0 HA TYR A 74 4.597 7.999 -5.467 1.00 63.22 H new ATOM 0 HB2 TYR A 74 2.751 10.419 -5.736 1.00 3.23 H new ATOM 0 HB3 TYR A 74 2.608 8.927 -6.644 1.00 3.23 H new ATOM 0 HD1 TYR A 74 2.229 10.445 -3.275 1.00 4.12 H new ATOM 0 HD2 TYR A 74 1.648 6.896 -5.580 1.00 62.54 H new ATOM 0 HE1 TYR A 74 0.869 9.495 -1.477 1.00 52.05 H new ATOM 0 HE2 TYR A 74 0.276 5.953 -3.771 1.00 60.21 H new ATOM 0 HH TYR A 74 -1.133 7.628 -1.455 1.00 1.34 H new ATOM 1210 N LEU A 75 6.169 8.812 -7.204 1.00 64.25 N ATOM 1211 CA LEU A 75 7.084 9.227 -8.285 1.00 72.21 C ATOM 1212 C LEU A 75 6.315 9.324 -9.631 1.00 10.10 C ATOM 1213 O LEU A 75 6.123 10.426 -10.161 1.00 53.03 O ATOM 1214 CB LEU A 75 8.289 8.245 -8.357 1.00 70.24 C ATOM 1215 CG LEU A 75 9.467 8.652 -9.301 1.00 72.31 C ATOM 1216 CD1 LEU A 75 10.013 10.058 -8.958 1.00 45.40 C ATOM 1217 CD2 LEU A 75 10.596 7.589 -9.266 1.00 54.43 C ATOM 0 H LEU A 75 6.289 7.841 -6.914 1.00 64.25 H new ATOM 0 HA LEU A 75 7.482 10.220 -8.074 1.00 72.21 H new ATOM 0 HB2 LEU A 75 8.687 8.119 -7.350 1.00 70.24 H new ATOM 0 HB3 LEU A 75 7.917 7.272 -8.676 1.00 70.24 H new ATOM 0 HG LEU A 75 9.075 8.696 -10.317 1.00 72.31 H new ATOM 0 HD11 LEU A 75 10.830 10.306 -9.635 1.00 45.40 H new ATOM 0 HD12 LEU A 75 9.216 10.794 -9.066 1.00 45.40 H new ATOM 0 HD13 LEU A 75 10.378 10.066 -7.931 1.00 45.40 H new ATOM 0 HD21 LEU A 75 11.404 7.894 -9.931 1.00 54.43 H new ATOM 0 HD22 LEU A 75 10.978 7.497 -8.249 1.00 54.43 H new ATOM 0 HD23 LEU A 75 10.201 6.627 -9.594 1.00 54.43 H new ATOM 1229 N GLN A 76 5.789 8.180 -10.118 1.00 23.42 N ATOM 1230 CA GLN A 76 4.969 8.119 -11.361 1.00 4.11 C ATOM 1231 C GLN A 76 3.677 7.314 -11.079 1.00 0.40 C ATOM 1232 O GLN A 76 3.714 6.110 -10.844 1.00 22.24 O ATOM 1233 CB GLN A 76 5.751 7.428 -12.546 1.00 24.33 C ATOM 1234 CG GLN A 76 6.587 8.338 -13.483 1.00 64.41 C ATOM 1235 CD GLN A 76 7.751 9.073 -12.820 1.00 35.11 C ATOM 1236 OE1 GLN A 76 7.645 10.229 -12.429 1.00 54.24 O ATOM 1237 NE2 GLN A 76 8.871 8.396 -12.668 1.00 64.13 N ATOM 0 H GLN A 76 5.916 7.273 -9.668 1.00 23.42 H new ATOM 0 HA GLN A 76 4.734 9.141 -11.657 1.00 4.11 H new ATOM 0 HB2 GLN A 76 6.421 6.683 -12.117 1.00 24.33 H new ATOM 0 HB3 GLN A 76 5.027 6.891 -13.158 1.00 24.33 H new ATOM 0 HG2 GLN A 76 6.981 7.728 -14.296 1.00 64.41 H new ATOM 0 HG3 GLN A 76 5.922 9.076 -13.932 1.00 64.41 H new ATOM 0 HE21 GLN A 76 8.935 7.434 -13.002 1.00 64.13 H new ATOM 0 HE22 GLN A 76 9.674 8.834 -12.216 1.00 64.13 H new ATOM 1246 N VAL A 77 2.528 7.996 -11.140 1.00 4.13 N ATOM 1247 CA VAL A 77 1.195 7.362 -11.037 1.00 71.33 C ATOM 1248 C VAL A 77 0.484 7.518 -12.394 1.00 4.52 C ATOM 1249 O VAL A 77 0.305 8.644 -12.873 1.00 30.21 O ATOM 1250 CB VAL A 77 0.359 8.003 -9.861 1.00 54.54 C ATOM 1251 CG1 VAL A 77 -1.092 7.469 -9.806 1.00 1.55 C ATOM 1252 CG2 VAL A 77 1.072 7.774 -8.501 1.00 12.32 C ATOM 0 H VAL A 77 2.489 9.008 -11.263 1.00 4.13 H new ATOM 0 HA VAL A 77 1.297 6.302 -10.804 1.00 71.33 H new ATOM 0 HB VAL A 77 0.298 9.073 -10.059 1.00 54.54 H new ATOM 0 HG11 VAL A 77 -1.623 7.942 -8.980 1.00 1.55 H new ATOM 0 HG12 VAL A 77 -1.600 7.699 -10.743 1.00 1.55 H new ATOM 0 HG13 VAL A 77 -1.077 6.389 -9.657 1.00 1.55 H new ATOM 0 HG21 VAL A 77 0.482 8.222 -7.701 1.00 12.32 H new ATOM 0 HG22 VAL A 77 1.175 6.704 -8.320 1.00 12.32 H new ATOM 0 HG23 VAL A 77 2.059 8.235 -8.526 1.00 12.32 H new ATOM 1262 N ASP A 78 0.122 6.389 -13.033 1.00 74.23 N ATOM 1263 CA ASP A 78 -0.380 6.385 -14.424 1.00 11.44 C ATOM 1264 C ASP A 78 -1.476 5.322 -14.614 1.00 64.40 C ATOM 1265 O ASP A 78 -1.166 4.138 -14.844 1.00 73.34 O ATOM 1266 CB ASP A 78 0.806 6.143 -15.398 1.00 23.41 C ATOM 1267 CG ASP A 78 0.440 6.376 -16.871 1.00 71.32 C ATOM 1268 OD1 ASP A 78 0.326 7.551 -17.272 1.00 34.03 O ATOM 1269 OD2 ASP A 78 0.271 5.397 -17.632 1.00 1.22 O ATOM 0 H ASP A 78 0.168 5.463 -12.607 1.00 74.23 H new ATOM 0 HA ASP A 78 -0.828 7.354 -14.642 1.00 11.44 H new ATOM 0 HB2 ASP A 78 1.630 6.803 -15.127 1.00 23.41 H new ATOM 0 HB3 ASP A 78 1.163 5.120 -15.277 1.00 23.41 H new ATOM 1274 N ALA A 79 -2.756 5.758 -14.475 1.00 4.43 N ATOM 1275 CA ALA A 79 -3.955 4.909 -14.700 1.00 22.45 C ATOM 1276 C ALA A 79 -4.062 3.714 -13.683 1.00 45.53 C ATOM 1277 O ALA A 79 -3.086 3.398 -12.993 1.00 75.01 O ATOM 1278 CB ALA A 79 -3.996 4.471 -16.181 1.00 61.04 C ATOM 0 H ALA A 79 -2.985 6.714 -14.202 1.00 4.43 H new ATOM 0 HA ALA A 79 -4.848 5.501 -14.499 1.00 22.45 H new ATOM 0 HB1 ALA A 79 -4.874 3.848 -16.352 1.00 61.04 H new ATOM 0 HB2 ALA A 79 -4.047 5.353 -16.820 1.00 61.04 H new ATOM 0 HB3 ALA A 79 -3.096 3.903 -16.418 1.00 61.04 H new ATOM 1284 N PRO A 80 -5.259 3.032 -13.545 1.00 13.54 N ATOM 1285 CA PRO A 80 -5.448 1.912 -12.571 1.00 34.14 C ATOM 1286 C PRO A 80 -4.437 0.736 -12.680 1.00 63.23 C ATOM 1287 O PRO A 80 -4.286 -0.037 -11.726 1.00 33.34 O ATOM 1288 CB PRO A 80 -6.912 1.438 -12.839 1.00 71.54 C ATOM 1289 CG PRO A 80 -7.267 2.010 -14.176 1.00 22.40 C ATOM 1290 CD PRO A 80 -6.538 3.327 -14.247 1.00 4.12 C ATOM 0 HA PRO A 80 -5.265 2.266 -11.556 1.00 34.14 H new ATOM 0 HB2 PRO A 80 -6.980 0.350 -12.845 1.00 71.54 H new ATOM 0 HB3 PRO A 80 -7.590 1.795 -12.064 1.00 71.54 H new ATOM 0 HG2 PRO A 80 -6.959 1.345 -14.983 1.00 22.40 H new ATOM 0 HG3 PRO A 80 -8.344 2.150 -14.271 1.00 22.40 H new ATOM 0 HD2 PRO A 80 -6.371 3.642 -15.277 1.00 4.12 H new ATOM 0 HD3 PRO A 80 -7.095 4.125 -13.756 1.00 4.12 H new ATOM 1298 N TYR A 81 -3.735 0.618 -13.820 1.00 21.41 N ATOM 1299 CA TYR A 81 -2.831 -0.531 -14.084 1.00 42.32 C ATOM 1300 C TYR A 81 -1.381 -0.301 -13.572 1.00 31.32 C ATOM 1301 O TYR A 81 -0.583 -1.252 -13.566 1.00 53.44 O ATOM 1302 CB TYR A 81 -2.830 -0.885 -15.598 1.00 33.22 C ATOM 1303 CG TYR A 81 -2.047 0.077 -16.511 1.00 31.11 C ATOM 1304 CD1 TYR A 81 -2.566 1.317 -16.869 1.00 64.21 C ATOM 1305 CD2 TYR A 81 -0.790 -0.271 -17.028 1.00 43.42 C ATOM 1306 CE1 TYR A 81 -1.868 2.172 -17.704 1.00 21.11 C ATOM 1307 CE2 TYR A 81 -0.090 0.585 -17.856 1.00 4.13 C ATOM 1308 CZ TYR A 81 -0.635 1.806 -18.192 1.00 12.24 C ATOM 1309 OH TYR A 81 0.054 2.667 -19.022 1.00 22.35 O ATOM 0 H TYR A 81 -3.771 1.300 -14.577 1.00 21.41 H new ATOM 0 HA TYR A 81 -3.226 -1.374 -13.517 1.00 42.32 H new ATOM 0 HB2 TYR A 81 -2.416 -1.886 -15.717 1.00 33.22 H new ATOM 0 HB3 TYR A 81 -3.863 -0.924 -15.943 1.00 33.22 H new ATOM 0 HD1 TYR A 81 -3.531 1.618 -16.489 1.00 64.21 H new ATOM 0 HD2 TYR A 81 -0.360 -1.229 -16.773 1.00 43.42 H new ATOM 0 HE1 TYR A 81 -2.292 3.128 -17.973 1.00 21.11 H new ATOM 0 HE2 TYR A 81 0.879 0.299 -18.238 1.00 4.13 H new ATOM 0 HH TYR A 81 0.145 3.540 -18.585 1.00 22.35 H new ATOM 1319 N TYR A 82 -1.036 0.946 -13.159 1.00 24.42 N ATOM 1320 CA TYR A 82 0.338 1.276 -12.692 1.00 24.34 C ATOM 1321 C TYR A 82 0.367 2.393 -11.614 1.00 32.33 C ATOM 1322 O TYR A 82 -0.102 3.514 -11.841 1.00 32.34 O ATOM 1323 CB TYR A 82 1.244 1.689 -13.885 1.00 12.54 C ATOM 1324 CG TYR A 82 2.728 1.869 -13.498 1.00 53.34 C ATOM 1325 CD1 TYR A 82 3.449 0.797 -12.974 1.00 34.15 C ATOM 1326 CD2 TYR A 82 3.402 3.090 -13.648 1.00 62.33 C ATOM 1327 CE1 TYR A 82 4.772 0.919 -12.619 1.00 33.14 C ATOM 1328 CE2 TYR A 82 4.736 3.217 -13.289 1.00 3.21 C ATOM 1329 CZ TYR A 82 5.413 2.128 -12.777 1.00 53.31 C ATOM 1330 OH TYR A 82 6.744 2.244 -12.437 1.00 31.52 O ATOM 0 H TYR A 82 -1.683 1.734 -13.139 1.00 24.42 H new ATOM 0 HA TYR A 82 0.721 0.366 -12.230 1.00 24.34 H new ATOM 0 HB2 TYR A 82 1.170 0.933 -14.666 1.00 12.54 H new ATOM 0 HB3 TYR A 82 0.871 2.622 -14.308 1.00 12.54 H new ATOM 0 HD1 TYR A 82 2.955 -0.155 -12.843 1.00 34.15 H new ATOM 0 HD2 TYR A 82 2.875 3.943 -14.049 1.00 62.33 H new ATOM 0 HE1 TYR A 82 5.306 0.070 -12.218 1.00 33.14 H new ATOM 0 HE2 TYR A 82 5.243 4.163 -13.409 1.00 3.21 H new ATOM 0 HH TYR A 82 7.047 3.160 -12.609 1.00 31.52 H new ATOM 1340 N ILE A 83 0.944 2.056 -10.438 1.00 1.55 N ATOM 1341 CA ILE A 83 1.251 3.011 -9.349 1.00 70.03 C ATOM 1342 C ILE A 83 2.749 2.865 -8.980 1.00 24.40 C ATOM 1343 O ILE A 83 3.216 1.750 -8.770 1.00 34.43 O ATOM 1344 CB ILE A 83 0.387 2.765 -8.033 1.00 33.21 C ATOM 1345 CG1 ILE A 83 -1.162 2.744 -8.309 1.00 23.33 C ATOM 1346 CG2 ILE A 83 0.736 3.815 -6.941 1.00 45.43 C ATOM 1347 CD1 ILE A 83 -1.712 1.430 -8.862 1.00 23.11 C ATOM 0 H ILE A 83 1.214 1.098 -10.216 1.00 1.55 H new ATOM 0 HA ILE A 83 1.009 4.008 -9.716 1.00 70.03 H new ATOM 0 HB ILE A 83 0.652 1.772 -7.670 1.00 33.21 H new ATOM 0 HG12 ILE A 83 -1.683 2.973 -7.379 1.00 23.33 H new ATOM 0 HG13 ILE A 83 -1.399 3.542 -9.012 1.00 23.33 H new ATOM 0 HG21 ILE A 83 0.135 3.628 -6.051 1.00 45.43 H new ATOM 0 HG22 ILE A 83 1.793 3.738 -6.687 1.00 45.43 H new ATOM 0 HG23 ILE A 83 0.525 4.816 -7.318 1.00 45.43 H new ATOM 0 HD11 ILE A 83 -2.787 1.522 -9.016 1.00 23.11 H new ATOM 0 HD12 ILE A 83 -1.227 1.204 -9.812 1.00 23.11 H new ATOM 0 HD13 ILE A 83 -1.515 0.626 -8.153 1.00 23.11 H new ATOM 1359 N GLU A 84 3.495 3.978 -8.907 1.00 63.02 N ATOM 1360 CA GLU A 84 4.899 3.981 -8.408 1.00 64.14 C ATOM 1361 C GLU A 84 5.062 5.023 -7.285 1.00 60.10 C ATOM 1362 O GLU A 84 4.726 6.203 -7.473 1.00 11.24 O ATOM 1363 CB GLU A 84 5.900 4.274 -9.568 1.00 61.04 C ATOM 1364 CG GLU A 84 7.374 4.469 -9.133 1.00 45.23 C ATOM 1365 CD GLU A 84 8.338 4.680 -10.316 1.00 23.24 C ATOM 1366 OE1 GLU A 84 8.224 5.716 -11.006 1.00 2.55 O ATOM 1367 OE2 GLU A 84 9.220 3.823 -10.560 1.00 13.42 O ATOM 0 H GLU A 84 3.156 4.898 -9.187 1.00 63.02 H new ATOM 0 HA GLU A 84 5.122 2.992 -8.007 1.00 64.14 H new ATOM 0 HB2 GLU A 84 5.854 3.452 -10.282 1.00 61.04 H new ATOM 0 HB3 GLU A 84 5.571 5.171 -10.093 1.00 61.04 H new ATOM 0 HG2 GLU A 84 7.437 5.328 -8.465 1.00 45.23 H new ATOM 0 HG3 GLU A 84 7.695 3.597 -8.563 1.00 45.23 H new ATOM 1374 N TYR A 85 5.570 4.583 -6.114 1.00 41.42 N ATOM 1375 CA TYR A 85 5.913 5.485 -5.000 1.00 53.13 C ATOM 1376 C TYR A 85 7.149 4.999 -4.215 1.00 22.32 C ATOM 1377 O TYR A 85 7.668 3.902 -4.431 1.00 64.23 O ATOM 1378 CB TYR A 85 4.691 5.722 -4.053 1.00 63.33 C ATOM 1379 CG TYR A 85 4.183 4.520 -3.222 1.00 42.33 C ATOM 1380 CD1 TYR A 85 4.809 4.152 -2.024 1.00 4.33 C ATOM 1381 CD2 TYR A 85 3.047 3.794 -3.607 1.00 35.42 C ATOM 1382 CE1 TYR A 85 4.333 3.115 -1.251 1.00 0.42 C ATOM 1383 CE2 TYR A 85 2.570 2.750 -2.833 1.00 52.34 C ATOM 1384 CZ TYR A 85 3.215 2.418 -1.655 1.00 54.31 C ATOM 1385 OH TYR A 85 2.736 1.381 -0.879 1.00 42.21 O ATOM 0 H TYR A 85 5.752 3.599 -5.917 1.00 41.42 H new ATOM 0 HA TYR A 85 6.177 6.445 -5.444 1.00 53.13 H new ATOM 0 HB2 TYR A 85 4.953 6.522 -3.361 1.00 63.33 H new ATOM 0 HB3 TYR A 85 3.862 6.085 -4.660 1.00 63.33 H new ATOM 0 HD1 TYR A 85 5.685 4.693 -1.699 1.00 4.33 H new ATOM 0 HD2 TYR A 85 2.536 4.053 -4.522 1.00 35.42 H new ATOM 0 HE1 TYR A 85 4.834 2.850 -0.332 1.00 0.42 H new ATOM 0 HE2 TYR A 85 1.697 2.197 -3.148 1.00 52.34 H new ATOM 0 HH TYR A 85 1.942 0.995 -1.304 1.00 42.21 H new ATOM 1395 N LEU A 86 7.603 5.854 -3.290 1.00 53.15 N ATOM 1396 CA LEU A 86 8.751 5.605 -2.411 1.00 22.25 C ATOM 1397 C LEU A 86 8.266 5.609 -0.950 1.00 74.04 C ATOM 1398 O LEU A 86 7.623 6.570 -0.524 1.00 35.32 O ATOM 1399 CB LEU A 86 9.810 6.716 -2.619 1.00 74.44 C ATOM 1400 CG LEU A 86 10.331 6.909 -4.080 1.00 51.41 C ATOM 1401 CD1 LEU A 86 11.214 8.173 -4.187 1.00 4.24 C ATOM 1402 CD2 LEU A 86 11.086 5.651 -4.579 1.00 1.45 C ATOM 0 H LEU A 86 7.169 6.763 -3.128 1.00 53.15 H new ATOM 0 HA LEU A 86 9.200 4.640 -2.645 1.00 22.25 H new ATOM 0 HB2 LEU A 86 9.386 7.661 -2.279 1.00 74.44 H new ATOM 0 HB3 LEU A 86 10.664 6.500 -1.977 1.00 74.44 H new ATOM 0 HG LEU A 86 9.466 7.049 -4.728 1.00 51.41 H new ATOM 0 HD11 LEU A 86 11.565 8.286 -5.213 1.00 4.24 H new ATOM 0 HD12 LEU A 86 10.631 9.049 -3.904 1.00 4.24 H new ATOM 0 HD13 LEU A 86 12.070 8.076 -3.519 1.00 4.24 H new ATOM 0 HD21 LEU A 86 11.436 5.817 -5.598 1.00 1.45 H new ATOM 0 HD22 LEU A 86 11.940 5.457 -3.929 1.00 1.45 H new ATOM 0 HD23 LEU A 86 10.414 4.793 -4.561 1.00 1.45 H new ATOM 1414 N ASP A 87 8.578 4.560 -0.183 1.00 10.35 N ATOM 1415 CA ASP A 87 8.147 4.462 1.222 1.00 22.41 C ATOM 1416 C ASP A 87 9.214 5.110 2.136 1.00 65.44 C ATOM 1417 O ASP A 87 10.317 4.579 2.314 1.00 74.43 O ATOM 1418 CB ASP A 87 7.899 2.981 1.608 1.00 34.01 C ATOM 1419 CG ASP A 87 7.255 2.829 2.999 1.00 32.22 C ATOM 1420 OD1 ASP A 87 7.991 2.763 4.013 1.00 11.03 O ATOM 1421 OD2 ASP A 87 6.005 2.781 3.088 1.00 5.31 O ATOM 0 H ASP A 87 9.128 3.765 -0.508 1.00 10.35 H new ATOM 0 HA ASP A 87 7.207 4.999 1.352 1.00 22.41 H new ATOM 0 HB2 ASP A 87 7.254 2.518 0.861 1.00 34.01 H new ATOM 0 HB3 ASP A 87 8.846 2.442 1.590 1.00 34.01 H new ATOM 1426 N TYR A 88 8.876 6.291 2.662 1.00 35.20 N ATOM 1427 CA TYR A 88 9.686 7.011 3.657 1.00 31.33 C ATOM 1428 C TYR A 88 9.049 6.868 5.049 1.00 61.45 C ATOM 1429 O TYR A 88 7.854 7.124 5.216 1.00 50.12 O ATOM 1430 CB TYR A 88 9.789 8.527 3.292 1.00 51.41 C ATOM 1431 CG TYR A 88 10.790 8.854 2.173 1.00 72.22 C ATOM 1432 CD1 TYR A 88 10.469 8.658 0.829 1.00 73.42 C ATOM 1433 CD2 TYR A 88 12.065 9.350 2.472 1.00 2.20 C ATOM 1434 CE1 TYR A 88 11.378 8.948 -0.171 1.00 14.33 C ATOM 1435 CE2 TYR A 88 12.973 9.637 1.475 1.00 54.02 C ATOM 1436 CZ TYR A 88 12.628 9.437 0.156 1.00 74.32 C ATOM 1437 OH TYR A 88 13.545 9.713 -0.838 1.00 65.22 O ATOM 0 H TYR A 88 8.020 6.783 2.407 1.00 35.20 H new ATOM 0 HA TYR A 88 10.687 6.579 3.662 1.00 31.33 H new ATOM 0 HB2 TYR A 88 8.803 8.882 2.993 1.00 51.41 H new ATOM 0 HB3 TYR A 88 10.071 9.083 4.186 1.00 51.41 H new ATOM 0 HD1 TYR A 88 9.495 8.274 0.566 1.00 73.42 H new ATOM 0 HD2 TYR A 88 12.342 9.511 3.503 1.00 2.20 H new ATOM 0 HE1 TYR A 88 11.112 8.793 -1.206 1.00 14.33 H new ATOM 0 HE2 TYR A 88 13.952 10.017 1.727 1.00 54.02 H new ATOM 0 HH TYR A 88 14.372 10.050 -0.435 1.00 65.22 H new ATOM 1447 N PHE A 89 9.849 6.465 6.046 1.00 24.41 N ATOM 1448 CA PHE A 89 9.473 6.630 7.466 1.00 65.22 C ATOM 1449 C PHE A 89 9.392 8.148 7.758 1.00 65.33 C ATOM 1450 O PHE A 89 10.211 8.919 7.250 1.00 23.15 O ATOM 1451 CB PHE A 89 10.524 5.942 8.376 1.00 71.42 C ATOM 1452 CG PHE A 89 10.087 5.682 9.819 1.00 45.53 C ATOM 1453 CD1 PHE A 89 10.149 6.679 10.792 1.00 33.34 C ATOM 1454 CD2 PHE A 89 9.623 4.423 10.199 1.00 61.20 C ATOM 1455 CE1 PHE A 89 9.755 6.428 12.094 1.00 31.25 C ATOM 1456 CE2 PHE A 89 9.230 4.171 11.501 1.00 1.33 C ATOM 1457 CZ PHE A 89 9.294 5.175 12.450 1.00 25.45 C ATOM 0 H PHE A 89 10.757 6.024 5.901 1.00 24.41 H new ATOM 0 HA PHE A 89 8.509 6.164 7.669 1.00 65.22 H new ATOM 0 HB2 PHE A 89 10.801 4.990 7.923 1.00 71.42 H new ATOM 0 HB3 PHE A 89 11.422 6.560 8.394 1.00 71.42 H new ATOM 0 HD1 PHE A 89 10.510 7.661 10.525 1.00 33.34 H new ATOM 0 HD2 PHE A 89 9.570 3.632 9.465 1.00 61.20 H new ATOM 0 HE1 PHE A 89 9.808 7.213 12.834 1.00 31.25 H new ATOM 0 HE2 PHE A 89 8.873 3.190 11.777 1.00 1.33 H new ATOM 0 HZ PHE A 89 8.985 4.980 13.466 1.00 25.45 H new ATOM 1467 N ALA A 90 8.405 8.581 8.535 1.00 21.03 N ATOM 1468 CA ALA A 90 8.191 10.017 8.815 1.00 51.31 C ATOM 1469 C ALA A 90 8.195 10.319 10.322 1.00 55.00 C ATOM 1470 O ALA A 90 8.387 9.436 11.159 1.00 42.43 O ATOM 1471 CB ALA A 90 6.895 10.503 8.151 1.00 43.22 C ATOM 0 H ALA A 90 7.732 7.964 8.989 1.00 21.03 H new ATOM 0 HA ALA A 90 9.028 10.567 8.384 1.00 51.31 H new ATOM 0 HB1 ALA A 90 6.751 11.562 8.366 1.00 43.22 H new ATOM 0 HB2 ALA A 90 6.962 10.357 7.073 1.00 43.22 H new ATOM 0 HB3 ALA A 90 6.051 9.935 8.542 1.00 43.22 H new ATOM 1477 N THR A 91 8.006 11.600 10.633 1.00 32.22 N ATOM 1478 CA THR A 91 7.996 12.146 12.006 1.00 21.32 C ATOM 1479 C THR A 91 6.848 13.172 12.154 1.00 72.14 C ATOM 1480 O THR A 91 6.283 13.625 11.150 1.00 20.32 O ATOM 1481 CB THR A 91 9.395 12.792 12.358 1.00 33.33 C ATOM 1482 OG1 THR A 91 9.301 13.683 13.486 1.00 71.45 O ATOM 1483 CG2 THR A 91 10.027 13.530 11.152 1.00 32.13 C ATOM 0 H THR A 91 7.850 12.315 9.922 1.00 32.22 H new ATOM 0 HA THR A 91 7.823 11.334 12.712 1.00 21.32 H new ATOM 0 HB THR A 91 10.051 11.962 12.622 1.00 33.33 H new ATOM 0 HG1 THR A 91 10.184 14.063 13.677 1.00 71.45 H new ATOM 0 HG21 THR A 91 10.986 13.955 11.448 1.00 32.13 H new ATOM 0 HG22 THR A 91 10.179 12.826 10.334 1.00 32.13 H new ATOM 0 HG23 THR A 91 9.361 14.329 10.825 1.00 32.13 H new ATOM 1491 N SER A 92 6.507 13.532 13.410 1.00 3.12 N ATOM 1492 CA SER A 92 5.428 14.520 13.721 1.00 1.10 C ATOM 1493 C SER A 92 5.757 15.945 13.208 1.00 52.34 C ATOM 1494 O SER A 92 4.888 16.815 13.181 1.00 11.43 O ATOM 1495 CB SER A 92 5.158 14.557 15.242 1.00 52.13 C ATOM 1496 OG SER A 92 6.307 14.960 15.969 1.00 1.13 O ATOM 0 H SER A 92 6.964 13.153 14.240 1.00 3.12 H new ATOM 0 HA SER A 92 4.533 14.186 13.196 1.00 1.10 H new ATOM 0 HB2 SER A 92 4.337 15.243 15.449 1.00 52.13 H new ATOM 0 HB3 SER A 92 4.841 13.570 15.580 1.00 52.13 H new ATOM 0 HG SER A 92 6.100 14.974 16.927 1.00 1.13 H new ATOM 1502 N LYS A 93 7.029 16.159 12.816 1.00 32.33 N ATOM 1503 CA LYS A 93 7.503 17.418 12.189 1.00 24.40 C ATOM 1504 C LYS A 93 6.919 17.624 10.764 1.00 65.32 C ATOM 1505 O LYS A 93 6.951 18.733 10.226 1.00 30.11 O ATOM 1506 CB LYS A 93 9.057 17.405 12.114 1.00 4.25 C ATOM 1507 CG LYS A 93 9.767 17.151 13.466 1.00 41.45 C ATOM 1508 CD LYS A 93 9.447 18.223 14.535 1.00 25.33 C ATOM 1509 CE LYS A 93 10.097 17.909 15.893 1.00 54.32 C ATOM 1510 NZ LYS A 93 9.797 18.950 16.907 1.00 0.33 N ATOM 0 H LYS A 93 7.765 15.461 12.925 1.00 32.33 H new ATOM 0 HA LYS A 93 7.156 18.245 12.809 1.00 24.40 H new ATOM 0 HB2 LYS A 93 9.367 16.636 11.406 1.00 4.25 H new ATOM 0 HB3 LYS A 93 9.396 18.361 11.715 1.00 4.25 H new ATOM 0 HG2 LYS A 93 9.474 16.172 13.844 1.00 41.45 H new ATOM 0 HG3 LYS A 93 10.844 17.120 13.303 1.00 41.45 H new ATOM 0 HD2 LYS A 93 9.794 19.196 14.186 1.00 25.33 H new ATOM 0 HD3 LYS A 93 8.367 18.296 14.661 1.00 25.33 H new ATOM 0 HE2 LYS A 93 9.742 16.942 16.250 1.00 54.32 H new ATOM 0 HE3 LYS A 93 11.177 17.826 15.768 1.00 54.32 H new ATOM 0 HZ1 LYS A 93 10.254 18.700 17.807 1.00 0.33 H new ATOM 0 HZ2 LYS A 93 10.158 19.868 16.579 1.00 0.33 H new ATOM 0 HZ3 LYS A 93 8.768 19.012 17.047 1.00 0.33 H new ATOM 1524 N GLY A 94 6.413 16.530 10.159 1.00 32.11 N ATOM 1525 CA GLY A 94 5.885 16.555 8.789 1.00 62.41 C ATOM 1526 C GLY A 94 6.971 16.514 7.709 1.00 53.53 C ATOM 1527 O GLY A 94 6.678 16.681 6.523 1.00 53.24 O ATOM 0 H GLY A 94 6.361 15.614 10.606 1.00 32.11 H new ATOM 0 HA2 GLY A 94 5.216 15.705 8.651 1.00 62.41 H new ATOM 0 HA3 GLY A 94 5.287 17.456 8.656 1.00 62.41 H new ATOM 1531 N GLU A 95 8.232 16.295 8.121 1.00 0.34 N ATOM 1532 CA GLU A 95 9.370 16.203 7.195 1.00 44.31 C ATOM 1533 C GLU A 95 9.525 14.755 6.670 1.00 33.44 C ATOM 1534 O GLU A 95 8.904 14.392 5.673 1.00 13.12 O ATOM 1535 CB GLU A 95 10.669 16.702 7.898 1.00 64.53 C ATOM 1536 CG GLU A 95 10.700 18.209 8.231 1.00 72.20 C ATOM 1537 CD GLU A 95 10.843 19.082 6.975 1.00 74.54 C ATOM 1538 OE1 GLU A 95 11.963 19.152 6.422 1.00 24.24 O ATOM 1539 OE2 GLU A 95 9.842 19.657 6.501 1.00 13.11 O ATOM 0 H GLU A 95 8.488 16.178 9.101 1.00 0.34 H new ATOM 0 HA GLU A 95 9.185 16.845 6.334 1.00 44.31 H new ATOM 0 HB2 GLU A 95 10.802 16.139 8.822 1.00 64.53 H new ATOM 0 HB3 GLU A 95 11.521 16.470 7.259 1.00 64.53 H new ATOM 0 HG2 GLU A 95 9.785 18.481 8.757 1.00 72.20 H new ATOM 0 HG3 GLU A 95 11.530 18.412 8.908 1.00 72.20 H new ATOM 1546 N LYS A 96 10.351 13.947 7.372 1.00 42.34 N ATOM 1547 CA LYS A 96 10.713 12.563 6.985 1.00 10.52 C ATOM 1548 C LYS A 96 11.771 12.022 7.981 1.00 53.33 C ATOM 1549 O LYS A 96 12.155 12.716 8.929 1.00 70.24 O ATOM 1550 CB LYS A 96 11.249 12.468 5.501 1.00 2.41 C ATOM 1551 CG LYS A 96 12.717 12.930 5.240 1.00 61.15 C ATOM 1552 CD LYS A 96 12.961 14.443 5.460 1.00 23.55 C ATOM 1553 CE LYS A 96 12.285 15.331 4.397 1.00 73.45 C ATOM 1554 NZ LYS A 96 12.546 16.775 4.631 1.00 13.42 N ATOM 0 H LYS A 96 10.794 14.244 8.241 1.00 42.34 H new ATOM 0 HA LYS A 96 9.810 11.953 7.026 1.00 10.52 H new ATOM 0 HB2 LYS A 96 11.158 11.432 5.175 1.00 2.41 H new ATOM 0 HB3 LYS A 96 10.591 13.061 4.866 1.00 2.41 H new ATOM 0 HG2 LYS A 96 13.383 12.368 5.894 1.00 61.15 H new ATOM 0 HG3 LYS A 96 12.988 12.676 4.215 1.00 61.15 H new ATOM 0 HD2 LYS A 96 12.591 14.724 6.446 1.00 23.55 H new ATOM 0 HD3 LYS A 96 14.034 14.635 5.455 1.00 23.55 H new ATOM 0 HE2 LYS A 96 12.648 15.053 3.408 1.00 73.45 H new ATOM 0 HE3 LYS A 96 11.210 15.151 4.404 1.00 73.45 H new ATOM 0 HZ1 LYS A 96 12.564 17.277 3.720 1.00 13.42 H new ATOM 0 HZ2 LYS A 96 11.793 17.171 5.229 1.00 13.42 H new ATOM 0 HZ3 LYS A 96 13.463 16.889 5.108 1.00 13.42 H new ATOM 1568 N ASP A 97 12.239 10.791 7.756 1.00 32.43 N ATOM 1569 CA ASP A 97 13.334 10.176 8.543 1.00 61.03 C ATOM 1570 C ASP A 97 14.722 10.721 8.037 1.00 30.44 C ATOM 1571 O ASP A 97 14.796 11.823 7.484 1.00 30.13 O ATOM 1572 CB ASP A 97 13.186 8.632 8.407 1.00 33.53 C ATOM 1573 CG ASP A 97 13.960 7.813 9.451 1.00 41.33 C ATOM 1574 OD1 ASP A 97 13.535 7.794 10.629 1.00 44.34 O ATOM 1575 OD2 ASP A 97 14.992 7.195 9.110 1.00 73.12 O ATOM 0 H ASP A 97 11.874 10.183 7.022 1.00 32.43 H new ATOM 0 HA ASP A 97 13.280 10.435 9.600 1.00 61.03 H new ATOM 0 HB2 ASP A 97 12.129 8.376 8.477 1.00 33.53 H new ATOM 0 HB3 ASP A 97 13.521 8.336 7.413 1.00 33.53 H new ATOM 1580 N THR A 98 15.825 9.981 8.243 1.00 5.45 N ATOM 1581 CA THR A 98 17.184 10.416 7.822 1.00 53.13 C ATOM 1582 C THR A 98 18.042 9.187 7.434 1.00 5.33 C ATOM 1583 O THR A 98 18.854 9.248 6.495 1.00 31.11 O ATOM 1584 CB THR A 98 17.915 11.244 8.954 1.00 41.34 C ATOM 1585 OG1 THR A 98 17.081 12.334 9.404 1.00 55.44 O ATOM 1586 CG2 THR A 98 19.265 11.828 8.488 1.00 53.44 C ATOM 0 H THR A 98 15.809 9.070 8.702 1.00 5.45 H new ATOM 0 HA THR A 98 17.065 11.067 6.956 1.00 53.13 H new ATOM 0 HB THR A 98 18.104 10.543 9.767 1.00 41.34 H new ATOM 0 HG1 THR A 98 17.548 12.835 10.105 1.00 55.44 H new ATOM 0 HG21 THR A 98 19.722 12.386 9.305 1.00 53.44 H new ATOM 0 HG22 THR A 98 19.928 11.017 8.188 1.00 53.44 H new ATOM 0 HG23 THR A 98 19.100 12.494 7.641 1.00 53.44 H new ATOM 1594 N SER A 99 17.840 8.063 8.156 1.00 74.43 N ATOM 1595 CA SER A 99 18.614 6.815 7.944 1.00 51.43 C ATOM 1596 C SER A 99 18.073 6.002 6.748 1.00 44.32 C ATOM 1597 O SER A 99 18.832 5.670 5.823 1.00 44.43 O ATOM 1598 CB SER A 99 18.610 5.942 9.222 1.00 34.33 C ATOM 1599 OG SER A 99 17.305 5.488 9.557 1.00 2.23 O ATOM 0 H SER A 99 17.142 7.993 8.897 1.00 74.43 H new ATOM 0 HA SER A 99 19.639 7.107 7.717 1.00 51.43 H new ATOM 0 HB2 SER A 99 19.265 5.083 9.076 1.00 34.33 H new ATOM 0 HB3 SER A 99 19.018 6.516 10.054 1.00 34.33 H new ATOM 0 HG SER A 99 16.659 6.208 9.403 1.00 2.23 H new ATOM 1605 N MET A 100 16.767 5.657 6.770 1.00 73.22 N ATOM 1606 CA MET A 100 16.137 4.896 5.665 1.00 44.30 C ATOM 1607 C MET A 100 15.687 5.853 4.515 1.00 52.31 C ATOM 1608 O MET A 100 15.047 6.882 4.774 1.00 3.13 O ATOM 1609 CB MET A 100 14.956 4.011 6.175 1.00 24.13 C ATOM 1610 CG MET A 100 13.766 4.750 6.773 1.00 12.40 C ATOM 1611 SD MET A 100 12.372 3.632 7.081 1.00 53.24 S ATOM 1612 CE MET A 100 11.863 3.178 5.415 1.00 25.31 C ATOM 0 H MET A 100 16.132 5.890 7.533 1.00 73.22 H new ATOM 0 HA MET A 100 16.887 4.218 5.258 1.00 44.30 H new ATOM 0 HB2 MET A 100 14.599 3.405 5.342 1.00 24.13 H new ATOM 0 HB3 MET A 100 15.344 3.323 6.926 1.00 24.13 H new ATOM 0 HG2 MET A 100 14.065 5.226 7.707 1.00 12.40 H new ATOM 0 HG3 MET A 100 13.453 5.545 6.096 1.00 12.40 H new ATOM 0 HE1 MET A 100 10.839 2.804 5.437 1.00 25.31 H new ATOM 0 HE2 MET A 100 11.916 4.053 4.767 1.00 25.31 H new ATOM 0 HE3 MET A 100 12.525 2.402 5.031 1.00 25.31 H new ATOM 1622 N PRO A 101 16.047 5.540 3.222 1.00 13.15 N ATOM 1623 CA PRO A 101 15.744 6.403 2.050 1.00 22.11 C ATOM 1624 C PRO A 101 14.437 6.007 1.298 1.00 61.10 C ATOM 1625 O PRO A 101 13.516 5.434 1.891 1.00 73.13 O ATOM 1626 CB PRO A 101 17.009 6.156 1.193 1.00 41.01 C ATOM 1627 CG PRO A 101 17.298 4.690 1.386 1.00 44.42 C ATOM 1628 CD PRO A 101 16.800 4.329 2.787 1.00 41.13 C ATOM 0 HA PRO A 101 15.553 7.444 2.309 1.00 22.11 H new ATOM 0 HB2 PRO A 101 16.833 6.394 0.144 1.00 41.01 H new ATOM 0 HB3 PRO A 101 17.843 6.775 1.525 1.00 41.01 H new ATOM 0 HG2 PRO A 101 16.792 4.092 0.628 1.00 44.42 H new ATOM 0 HG3 PRO A 101 18.365 4.489 1.290 1.00 44.42 H new ATOM 0 HD2 PRO A 101 16.161 3.446 2.769 1.00 41.13 H new ATOM 0 HD3 PRO A 101 17.628 4.109 3.461 1.00 41.13 H new ATOM 1636 N GLY A 102 14.367 6.360 -0.007 1.00 53.14 N ATOM 1637 CA GLY A 102 13.240 5.988 -0.873 1.00 53.15 C ATOM 1638 C GLY A 102 13.146 4.485 -1.168 1.00 3.12 C ATOM 1639 O GLY A 102 13.880 3.961 -2.011 1.00 51.11 O ATOM 0 H GLY A 102 15.087 6.906 -0.479 1.00 53.14 H new ATOM 0 HA2 GLY A 102 12.312 6.314 -0.403 1.00 53.15 H new ATOM 0 HA3 GLY A 102 13.327 6.528 -1.816 1.00 53.15 H new ATOM 1643 N MET A 103 12.250 3.795 -0.444 1.00 72.54 N ATOM 1644 CA MET A 103 11.939 2.363 -0.667 1.00 44.43 C ATOM 1645 C MET A 103 11.018 2.204 -1.918 1.00 64.33 C ATOM 1646 O MET A 103 9.830 2.525 -1.874 1.00 43.24 O ATOM 1647 CB MET A 103 11.293 1.802 0.636 1.00 2.54 C ATOM 1648 CG MET A 103 10.726 0.384 0.558 1.00 75.31 C ATOM 1649 SD MET A 103 10.129 -0.199 2.160 1.00 22.32 S ATOM 1650 CE MET A 103 9.267 -1.699 1.702 1.00 1.41 C ATOM 0 H MET A 103 11.715 4.212 0.318 1.00 72.54 H new ATOM 0 HA MET A 103 12.842 1.790 -0.878 1.00 44.43 H new ATOM 0 HB2 MET A 103 12.042 1.827 1.427 1.00 2.54 H new ATOM 0 HB3 MET A 103 10.490 2.475 0.936 1.00 2.54 H new ATOM 0 HG2 MET A 103 9.909 0.360 -0.163 1.00 75.31 H new ATOM 0 HG3 MET A 103 11.496 -0.294 0.190 1.00 75.31 H new ATOM 0 HE1 MET A 103 9.283 -2.398 2.539 1.00 1.41 H new ATOM 0 HE2 MET A 103 8.234 -1.462 1.447 1.00 1.41 H new ATOM 0 HE3 MET A 103 9.758 -2.153 0.841 1.00 1.41 H new ATOM 1660 N HIS A 104 11.596 1.715 -3.034 1.00 12.53 N ATOM 1661 CA HIS A 104 10.931 1.706 -4.366 1.00 34.12 C ATOM 1662 C HIS A 104 9.811 0.630 -4.481 1.00 43.14 C ATOM 1663 O HIS A 104 10.091 -0.552 -4.655 1.00 43.42 O ATOM 1664 CB HIS A 104 11.993 1.501 -5.482 1.00 71.01 C ATOM 1665 CG HIS A 104 11.426 1.404 -6.880 1.00 50.03 C ATOM 1666 ND1 HIS A 104 11.386 0.221 -7.588 1.00 65.30 N ATOM 1667 CD2 HIS A 104 10.877 2.340 -7.694 1.00 23.43 C ATOM 1668 CE1 HIS A 104 10.852 0.431 -8.767 1.00 41.33 C ATOM 1669 NE2 HIS A 104 10.532 1.704 -8.856 1.00 12.20 N ATOM 0 H HIS A 104 12.534 1.315 -3.044 1.00 12.53 H new ATOM 0 HA HIS A 104 10.444 2.674 -4.488 1.00 34.12 H new ATOM 0 HB2 HIS A 104 12.701 2.329 -5.448 1.00 71.01 H new ATOM 0 HB3 HIS A 104 12.555 0.592 -5.268 1.00 71.01 H new ATOM 0 HD2 HIS A 104 10.739 3.387 -7.468 1.00 23.43 H new ATOM 0 HE1 HIS A 104 10.701 -0.314 -9.534 1.00 41.33 H new ATOM 0 HE2 HIS A 104 10.095 2.147 -9.664 1.00 12.20 H new ATOM 1678 N ILE A 105 8.547 1.070 -4.370 1.00 30.54 N ATOM 1679 CA ILE A 105 7.350 0.218 -4.599 1.00 24.35 C ATOM 1680 C ILE A 105 6.718 0.557 -5.980 1.00 31.33 C ATOM 1681 O ILE A 105 6.524 1.731 -6.311 1.00 43.02 O ATOM 1682 CB ILE A 105 6.279 0.393 -3.426 1.00 14.44 C ATOM 1683 CG1 ILE A 105 6.615 -0.480 -2.170 1.00 11.44 C ATOM 1684 CG2 ILE A 105 4.842 0.055 -3.894 1.00 32.33 C ATOM 1685 CD1 ILE A 105 8.009 -0.338 -1.607 1.00 63.20 C ATOM 0 H ILE A 105 8.317 2.031 -4.118 1.00 30.54 H new ATOM 0 HA ILE A 105 7.665 -0.826 -4.600 1.00 24.35 H new ATOM 0 HB ILE A 105 6.330 1.446 -3.147 1.00 14.44 H new ATOM 0 HG12 ILE A 105 5.902 -0.235 -1.383 1.00 11.44 H new ATOM 0 HG13 ILE A 105 6.456 -1.527 -2.429 1.00 11.44 H new ATOM 0 HG21 ILE A 105 4.148 0.188 -3.064 1.00 32.33 H new ATOM 0 HG22 ILE A 105 4.560 0.718 -4.712 1.00 32.33 H new ATOM 0 HG23 ILE A 105 4.805 -0.979 -4.236 1.00 32.33 H new ATOM 0 HD11 ILE A 105 8.120 -0.991 -0.741 1.00 63.20 H new ATOM 0 HD12 ILE A 105 8.739 -0.616 -2.368 1.00 63.20 H new ATOM 0 HD13 ILE A 105 8.176 0.696 -1.305 1.00 63.20 H new ATOM 1697 N THR A 106 6.417 -0.489 -6.779 1.00 44.15 N ATOM 1698 CA THR A 106 5.657 -0.375 -8.048 1.00 3.31 C ATOM 1699 C THR A 106 4.587 -1.479 -8.129 1.00 71.30 C ATOM 1700 O THR A 106 4.917 -2.662 -8.195 1.00 73.42 O ATOM 1701 CB THR A 106 6.593 -0.473 -9.304 1.00 74.14 C ATOM 1702 OG1 THR A 106 7.497 -1.584 -9.166 1.00 13.42 O ATOM 1703 CG2 THR A 106 7.393 0.811 -9.524 1.00 62.30 C ATOM 0 H THR A 106 6.696 -1.446 -6.562 1.00 44.15 H new ATOM 0 HA THR A 106 5.183 0.606 -8.051 1.00 3.31 H new ATOM 0 HB THR A 106 5.952 -0.623 -10.173 1.00 74.14 H new ATOM 0 HG1 THR A 106 8.074 -1.636 -9.956 1.00 13.42 H new ATOM 0 HG21 THR A 106 8.027 0.698 -10.403 1.00 62.30 H new ATOM 0 HG22 THR A 106 6.708 1.645 -9.675 1.00 62.30 H new ATOM 0 HG23 THR A 106 8.015 1.006 -8.651 1.00 62.30 H new ATOM 1711 N LEU A 107 3.305 -1.083 -8.146 1.00 15.12 N ATOM 1712 CA LEU A 107 2.170 -2.018 -8.253 1.00 30.41 C ATOM 1713 C LEU A 107 1.634 -2.006 -9.702 1.00 61.52 C ATOM 1714 O LEU A 107 1.391 -0.938 -10.271 1.00 51.04 O ATOM 1715 CB LEU A 107 1.028 -1.658 -7.249 1.00 40.12 C ATOM 1716 CG LEU A 107 1.458 -1.299 -5.779 1.00 20.33 C ATOM 1717 CD1 LEU A 107 1.786 0.205 -5.639 1.00 30.11 C ATOM 1718 CD2 LEU A 107 0.382 -1.730 -4.756 1.00 14.12 C ATOM 0 H LEU A 107 3.024 -0.104 -8.086 1.00 15.12 H new ATOM 0 HA LEU A 107 2.523 -3.017 -7.998 1.00 30.41 H new ATOM 0 HB2 LEU A 107 0.473 -0.813 -7.656 1.00 40.12 H new ATOM 0 HB3 LEU A 107 0.338 -2.501 -7.204 1.00 40.12 H new ATOM 0 HG LEU A 107 2.367 -1.859 -5.560 1.00 20.33 H new ATOM 0 HD11 LEU A 107 2.079 0.419 -4.611 1.00 30.11 H new ATOM 0 HD12 LEU A 107 2.604 0.463 -6.311 1.00 30.11 H new ATOM 0 HD13 LEU A 107 0.906 0.795 -5.895 1.00 30.11 H new ATOM 0 HD21 LEU A 107 0.710 -1.468 -3.750 1.00 14.12 H new ATOM 0 HD22 LEU A 107 -0.555 -1.219 -4.977 1.00 14.12 H new ATOM 0 HD23 LEU A 107 0.231 -2.808 -4.819 1.00 14.12 H new ATOM 1730 N ASN A 108 1.450 -3.199 -10.270 1.00 75.35 N ATOM 1731 CA ASN A 108 1.065 -3.400 -11.683 1.00 14.33 C ATOM 1732 C ASN A 108 -0.084 -4.416 -11.780 1.00 74.42 C ATOM 1733 O ASN A 108 -0.257 -5.245 -10.892 1.00 73.30 O ATOM 1734 CB ASN A 108 2.286 -3.905 -12.505 1.00 31.13 C ATOM 1735 CG ASN A 108 3.290 -2.806 -12.836 1.00 21.41 C ATOM 1736 OD1 ASN A 108 4.200 -2.517 -12.068 1.00 64.31 O ATOM 1737 ND2 ASN A 108 3.133 -2.179 -13.988 1.00 53.42 N ATOM 0 H ASN A 108 1.565 -4.074 -9.758 1.00 75.35 H new ATOM 0 HA ASN A 108 0.731 -2.446 -12.092 1.00 14.33 H new ATOM 0 HB2 ASN A 108 2.791 -4.692 -11.945 1.00 31.13 H new ATOM 0 HB3 ASN A 108 1.930 -4.353 -13.433 1.00 31.13 H new ATOM 0 HD21 ASN A 108 3.778 -1.435 -14.256 1.00 53.42 H new ATOM 0 HD22 ASN A 108 2.367 -2.439 -14.610 1.00 53.42 H new ATOM 1744 N PHE A 109 -0.864 -4.339 -12.866 1.00 3.23 N ATOM 1745 CA PHE A 109 -1.881 -5.363 -13.190 1.00 72.30 C ATOM 1746 C PHE A 109 -1.203 -6.741 -13.462 1.00 64.13 C ATOM 1747 O PHE A 109 -0.099 -6.799 -14.021 1.00 1.30 O ATOM 1748 CB PHE A 109 -2.729 -4.916 -14.422 1.00 43.21 C ATOM 1749 CG PHE A 109 -1.982 -4.942 -15.769 1.00 21.43 C ATOM 1750 CD1 PHE A 109 -1.008 -3.988 -16.076 1.00 52.11 C ATOM 1751 CD2 PHE A 109 -2.250 -5.932 -16.720 1.00 74.34 C ATOM 1752 CE1 PHE A 109 -0.332 -4.023 -17.283 1.00 4.31 C ATOM 1753 CE2 PHE A 109 -1.571 -5.962 -17.925 1.00 45.34 C ATOM 1754 CZ PHE A 109 -0.613 -5.008 -18.205 1.00 43.15 C ATOM 0 H PHE A 109 -0.814 -3.576 -13.542 1.00 3.23 H new ATOM 0 HA PHE A 109 -2.547 -5.472 -12.334 1.00 72.30 H new ATOM 0 HB2 PHE A 109 -3.604 -5.562 -14.496 1.00 43.21 H new ATOM 0 HB3 PHE A 109 -3.094 -3.904 -14.245 1.00 43.21 H new ATOM 0 HD1 PHE A 109 -0.779 -3.212 -15.361 1.00 52.11 H new ATOM 0 HD2 PHE A 109 -2.997 -6.683 -16.511 1.00 74.34 H new ATOM 0 HE1 PHE A 109 0.417 -3.277 -17.503 1.00 4.31 H new ATOM 0 HE2 PHE A 109 -1.791 -6.733 -18.648 1.00 45.34 H new ATOM 0 HZ PHE A 109 -0.084 -5.034 -19.146 1.00 43.15 H new ATOM 1764 N GLU A 110 -1.851 -7.837 -13.037 1.00 62.12 N ATOM 1765 CA GLU A 110 -1.397 -9.207 -13.369 1.00 32.33 C ATOM 1766 C GLU A 110 -2.239 -9.743 -14.551 1.00 73.21 C ATOM 1767 O GLU A 110 -1.737 -9.905 -15.667 1.00 11.40 O ATOM 1768 CB GLU A 110 -1.511 -10.136 -12.127 1.00 60.33 C ATOM 1769 CG GLU A 110 -0.877 -11.541 -12.285 1.00 45.24 C ATOM 1770 CD GLU A 110 0.664 -11.522 -12.405 1.00 64.21 C ATOM 1771 OE1 GLU A 110 1.356 -11.582 -11.363 1.00 42.01 O ATOM 1772 OE2 GLU A 110 1.191 -11.450 -13.540 1.00 5.54 O ATOM 0 H GLU A 110 -2.693 -7.806 -12.462 1.00 62.12 H new ATOM 0 HA GLU A 110 -0.348 -9.186 -13.663 1.00 32.33 H new ATOM 0 HB2 GLU A 110 -1.042 -9.638 -11.278 1.00 60.33 H new ATOM 0 HB3 GLU A 110 -2.566 -10.258 -11.882 1.00 60.33 H new ATOM 0 HG2 GLU A 110 -1.158 -12.154 -11.428 1.00 45.24 H new ATOM 0 HG3 GLU A 110 -1.295 -12.020 -13.170 1.00 45.24 H new ATOM 1832 N GLY A 114 -12.934 -9.748 -14.785 1.00 60.22 N ATOM 1833 CA GLY A 114 -14.045 -9.246 -13.954 1.00 2.53 C ATOM 1834 C GLY A 114 -13.615 -9.108 -12.493 1.00 52.35 C ATOM 1835 O GLY A 114 -14.148 -8.286 -11.739 1.00 24.32 O ATOM 0 HA2 GLY A 114 -14.379 -8.280 -14.332 1.00 2.53 H new ATOM 0 HA3 GLY A 114 -14.894 -9.926 -14.025 1.00 2.53 H new ATOM 1839 N LYS A 115 -12.649 -9.954 -12.102 1.00 41.41 N ATOM 1840 CA LYS A 115 -11.978 -9.905 -10.795 1.00 24.04 C ATOM 1841 C LYS A 115 -10.577 -9.280 -10.975 1.00 41.23 C ATOM 1842 O LYS A 115 -9.788 -9.735 -11.811 1.00 74.31 O ATOM 1843 CB LYS A 115 -11.876 -11.343 -10.211 1.00 32.42 C ATOM 1844 CG LYS A 115 -13.250 -12.033 -9.997 1.00 70.04 C ATOM 1845 CD LYS A 115 -13.137 -13.550 -9.696 1.00 1.44 C ATOM 1846 CE LYS A 115 -12.421 -13.862 -8.373 1.00 62.20 C ATOM 1847 NZ LYS A 115 -12.225 -15.321 -8.186 1.00 40.24 N ATOM 0 H LYS A 115 -12.306 -10.707 -12.699 1.00 41.41 H new ATOM 0 HA LYS A 115 -12.549 -9.293 -10.097 1.00 24.04 H new ATOM 0 HB2 LYS A 115 -11.273 -11.955 -10.882 1.00 32.42 H new ATOM 0 HB3 LYS A 115 -11.349 -11.301 -9.258 1.00 32.42 H new ATOM 0 HG2 LYS A 115 -13.769 -11.544 -9.173 1.00 70.04 H new ATOM 0 HG3 LYS A 115 -13.862 -11.891 -10.888 1.00 70.04 H new ATOM 0 HD2 LYS A 115 -14.137 -13.982 -9.669 1.00 1.44 H new ATOM 0 HD3 LYS A 115 -12.602 -14.035 -10.512 1.00 1.44 H new ATOM 0 HE2 LYS A 115 -11.454 -13.360 -8.355 1.00 62.20 H new ATOM 0 HE3 LYS A 115 -13.002 -13.463 -7.542 1.00 62.20 H new ATOM 0 HZ1 LYS A 115 -11.739 -15.493 -7.283 1.00 40.24 H new ATOM 0 HZ2 LYS A 115 -13.150 -15.797 -8.178 1.00 40.24 H new ATOM 0 HZ3 LYS A 115 -11.649 -15.697 -8.966 1.00 40.24 H new ATOM 1861 N THR A 116 -10.285 -8.226 -10.208 1.00 63.33 N ATOM 1862 CA THR A 116 -8.988 -7.521 -10.275 1.00 21.23 C ATOM 1863 C THR A 116 -7.886 -8.274 -9.505 1.00 61.13 C ATOM 1864 O THR A 116 -8.147 -8.893 -8.478 1.00 50.21 O ATOM 1865 CB THR A 116 -9.115 -6.069 -9.712 1.00 44.12 C ATOM 1866 OG1 THR A 116 -10.067 -5.341 -10.497 1.00 1.43 O ATOM 1867 CG2 THR A 116 -7.774 -5.307 -9.718 1.00 52.31 C ATOM 0 H THR A 116 -10.933 -7.834 -9.524 1.00 63.33 H new ATOM 0 HA THR A 116 -8.705 -7.479 -11.327 1.00 21.23 H new ATOM 0 HB THR A 116 -9.440 -6.152 -8.675 1.00 44.12 H new ATOM 0 HG1 THR A 116 -10.974 -5.570 -10.206 1.00 1.43 H new ATOM 0 HG21 THR A 116 -7.923 -4.305 -9.316 1.00 52.31 H new ATOM 0 HG22 THR A 116 -7.050 -5.841 -9.103 1.00 52.31 H new ATOM 0 HG23 THR A 116 -7.400 -5.236 -10.739 1.00 52.31 H new ATOM 1875 N THR A 117 -6.655 -8.207 -10.025 1.00 71.11 N ATOM 1876 CA THR A 117 -5.451 -8.716 -9.352 1.00 42.23 C ATOM 1877 C THR A 117 -4.283 -7.774 -9.681 1.00 14.15 C ATOM 1878 O THR A 117 -3.749 -7.798 -10.791 1.00 64.50 O ATOM 1879 CB THR A 117 -5.113 -10.188 -9.779 1.00 43.42 C ATOM 1880 OG1 THR A 117 -6.248 -11.030 -9.539 1.00 0.01 O ATOM 1881 CG2 THR A 117 -3.904 -10.760 -9.020 1.00 4.20 C ATOM 0 H THR A 117 -6.463 -7.793 -10.937 1.00 71.11 H new ATOM 0 HA THR A 117 -5.630 -8.741 -8.277 1.00 42.23 H new ATOM 0 HB THR A 117 -4.862 -10.164 -10.839 1.00 43.42 H new ATOM 0 HG1 THR A 117 -6.037 -11.948 -9.807 1.00 0.01 H new ATOM 0 HG21 THR A 117 -3.714 -11.780 -9.354 1.00 4.20 H new ATOM 0 HG22 THR A 117 -3.026 -10.144 -9.217 1.00 4.20 H new ATOM 0 HG23 THR A 117 -4.113 -10.762 -7.950 1.00 4.20 H new ATOM 1889 N VAL A 118 -3.950 -6.885 -8.733 1.00 43.01 N ATOM 1890 CA VAL A 118 -2.804 -5.963 -8.852 1.00 72.42 C ATOM 1891 C VAL A 118 -1.630 -6.480 -7.990 1.00 70.25 C ATOM 1892 O VAL A 118 -1.710 -6.533 -6.758 1.00 32.31 O ATOM 1893 CB VAL A 118 -3.211 -4.484 -8.473 1.00 31.23 C ATOM 1894 CG1 VAL A 118 -1.977 -3.557 -8.291 1.00 55.02 C ATOM 1895 CG2 VAL A 118 -4.157 -3.898 -9.551 1.00 40.44 C ATOM 0 H VAL A 118 -4.467 -6.783 -7.860 1.00 43.01 H new ATOM 0 HA VAL A 118 -2.479 -5.935 -9.892 1.00 72.42 H new ATOM 0 HB VAL A 118 -3.728 -4.529 -7.514 1.00 31.23 H new ATOM 0 HG11 VAL A 118 -2.312 -2.553 -8.031 1.00 55.02 H new ATOM 0 HG12 VAL A 118 -1.344 -3.946 -7.493 1.00 55.02 H new ATOM 0 HG13 VAL A 118 -1.409 -3.521 -9.220 1.00 55.02 H new ATOM 0 HG21 VAL A 118 -4.431 -2.879 -9.279 1.00 40.44 H new ATOM 0 HG22 VAL A 118 -3.650 -3.893 -10.516 1.00 40.44 H new ATOM 0 HG23 VAL A 118 -5.057 -4.510 -9.617 1.00 40.44 H new ATOM 1905 N THR A 119 -0.566 -6.893 -8.681 1.00 63.20 N ATOM 1906 CA THR A 119 0.648 -7.454 -8.082 1.00 41.51 C ATOM 1907 C THR A 119 1.667 -6.337 -7.713 1.00 3.21 C ATOM 1908 O THR A 119 2.200 -5.646 -8.588 1.00 31.31 O ATOM 1909 CB THR A 119 1.276 -8.482 -9.077 1.00 22.05 C ATOM 1910 OG1 THR A 119 0.302 -9.491 -9.387 1.00 53.34 O ATOM 1911 CG2 THR A 119 2.532 -9.164 -8.525 1.00 44.50 C ATOM 0 H THR A 119 -0.523 -6.846 -9.699 1.00 63.20 H new ATOM 0 HA THR A 119 0.386 -7.962 -7.154 1.00 41.51 H new ATOM 0 HB THR A 119 1.572 -7.925 -9.966 1.00 22.05 H new ATOM 0 HG1 THR A 119 0.686 -10.132 -10.021 1.00 53.34 H new ATOM 0 HG21 THR A 119 2.919 -9.866 -9.264 1.00 44.50 H new ATOM 0 HG22 THR A 119 3.289 -8.411 -8.308 1.00 44.50 H new ATOM 0 HG23 THR A 119 2.282 -9.701 -7.610 1.00 44.50 H new ATOM 1919 N SER A 120 1.896 -6.161 -6.400 1.00 74.41 N ATOM 1920 CA SER A 120 2.871 -5.196 -5.838 1.00 11.21 C ATOM 1921 C SER A 120 4.326 -5.718 -5.966 1.00 61.22 C ATOM 1922 O SER A 120 4.587 -6.889 -5.733 1.00 5.12 O ATOM 1923 CB SER A 120 2.557 -4.921 -4.345 1.00 34.43 C ATOM 1924 OG SER A 120 2.914 -6.015 -3.515 1.00 1.01 O ATOM 0 H SER A 120 1.402 -6.692 -5.683 1.00 74.41 H new ATOM 0 HA SER A 120 2.782 -4.272 -6.410 1.00 11.21 H new ATOM 0 HB2 SER A 120 3.094 -4.030 -4.020 1.00 34.43 H new ATOM 0 HB3 SER A 120 1.493 -4.712 -4.231 1.00 34.43 H new ATOM 0 HG SER A 120 2.573 -5.863 -2.609 1.00 1.01 H new ATOM 1930 N THR A 121 5.254 -4.848 -6.381 1.00 4.14 N ATOM 1931 CA THR A 121 6.709 -5.151 -6.427 1.00 21.13 C ATOM 1932 C THR A 121 7.453 -4.193 -5.464 1.00 73.21 C ATOM 1933 O THR A 121 7.697 -3.025 -5.788 1.00 14.32 O ATOM 1934 CB THR A 121 7.256 -5.025 -7.895 1.00 1.12 C ATOM 1935 OG1 THR A 121 6.545 -5.935 -8.758 1.00 43.42 O ATOM 1936 CG2 THR A 121 8.767 -5.309 -8.001 1.00 60.41 C ATOM 0 H THR A 121 5.026 -3.906 -6.698 1.00 4.14 H new ATOM 0 HA THR A 121 6.880 -6.179 -6.107 1.00 21.13 H new ATOM 0 HB THR A 121 7.095 -3.992 -8.203 1.00 1.12 H new ATOM 0 HG1 THR A 121 6.887 -5.853 -9.673 1.00 43.42 H new ATOM 0 HG21 THR A 121 9.085 -5.206 -9.039 1.00 60.41 H new ATOM 0 HG22 THR A 121 9.315 -4.599 -7.382 1.00 60.41 H new ATOM 0 HG23 THR A 121 8.972 -6.323 -7.658 1.00 60.41 H new ATOM 1944 N SER A 122 7.786 -4.701 -4.264 1.00 5.15 N ATOM 1945 CA SER A 122 8.310 -3.879 -3.144 1.00 61.33 C ATOM 1946 C SER A 122 9.825 -4.098 -2.935 1.00 62.24 C ATOM 1947 O SER A 122 10.242 -5.158 -2.479 1.00 4.51 O ATOM 1948 CB SER A 122 7.536 -4.222 -1.842 1.00 53.11 C ATOM 1949 OG SER A 122 6.142 -3.970 -1.980 1.00 20.52 O ATOM 0 H SER A 122 7.702 -5.692 -4.037 1.00 5.15 H new ATOM 0 HA SER A 122 8.162 -2.829 -3.395 1.00 61.33 H new ATOM 0 HB2 SER A 122 7.694 -5.271 -1.590 1.00 53.11 H new ATOM 0 HB3 SER A 122 7.933 -3.632 -1.016 1.00 53.11 H new ATOM 0 HG SER A 122 5.684 -4.198 -1.144 1.00 20.52 H new ATOM 1955 N THR A 123 10.646 -3.089 -3.271 1.00 32.13 N ATOM 1956 CA THR A 123 12.120 -3.143 -3.087 1.00 2.32 C ATOM 1957 C THR A 123 12.523 -2.589 -1.695 1.00 23.25 C ATOM 1958 O THR A 123 12.544 -1.373 -1.474 1.00 72.31 O ATOM 1959 CB THR A 123 12.882 -2.361 -4.217 1.00 52.52 C ATOM 1960 OG1 THR A 123 12.535 -2.901 -5.505 1.00 43.41 O ATOM 1961 CG2 THR A 123 14.416 -2.421 -4.047 1.00 14.41 C ATOM 0 H THR A 123 10.316 -2.213 -3.677 1.00 32.13 H new ATOM 0 HA THR A 123 12.411 -4.192 -3.151 1.00 2.32 H new ATOM 0 HB THR A 123 12.576 -1.317 -4.142 1.00 52.52 H new ATOM 0 HG1 THR A 123 13.012 -2.408 -6.205 1.00 43.41 H new ATOM 0 HG21 THR A 123 14.894 -1.865 -4.854 1.00 14.41 H new ATOM 0 HG22 THR A 123 14.693 -1.981 -3.089 1.00 14.41 H new ATOM 0 HG23 THR A 123 14.745 -3.460 -4.078 1.00 14.41 H new ATOM 1969 N PHE A 124 12.806 -3.514 -0.765 1.00 41.35 N ATOM 1970 CA PHE A 124 13.326 -3.218 0.596 1.00 72.03 C ATOM 1971 C PHE A 124 14.836 -2.813 0.559 1.00 21.41 C ATOM 1972 O PHE A 124 15.518 -3.086 -0.438 1.00 70.10 O ATOM 1973 CB PHE A 124 13.120 -4.465 1.517 1.00 61.12 C ATOM 1974 CG PHE A 124 11.658 -4.777 1.853 1.00 71.22 C ATOM 1975 CD1 PHE A 124 10.764 -5.184 0.862 1.00 14.45 C ATOM 1976 CD2 PHE A 124 11.185 -4.679 3.165 1.00 72.11 C ATOM 1977 CE1 PHE A 124 9.450 -5.475 1.169 1.00 5.45 C ATOM 1978 CE2 PHE A 124 9.871 -4.974 3.470 1.00 20.12 C ATOM 1979 CZ PHE A 124 9.002 -5.370 2.472 1.00 51.23 C ATOM 0 H PHE A 124 12.680 -4.512 -0.933 1.00 41.35 H new ATOM 0 HA PHE A 124 12.770 -2.371 0.998 1.00 72.03 H new ATOM 0 HB2 PHE A 124 13.561 -5.335 1.031 1.00 61.12 H new ATOM 0 HB3 PHE A 124 13.667 -4.308 2.447 1.00 61.12 H new ATOM 0 HD1 PHE A 124 11.105 -5.273 -0.159 1.00 14.45 H new ATOM 0 HD2 PHE A 124 11.857 -4.368 3.951 1.00 72.11 H new ATOM 0 HE1 PHE A 124 8.771 -5.785 0.389 1.00 5.45 H new ATOM 0 HE2 PHE A 124 9.523 -4.895 4.489 1.00 20.12 H new ATOM 0 HZ PHE A 124 7.973 -5.597 2.710 1.00 51.23 H new ATOM 1989 N PRO A 125 15.373 -2.151 1.652 1.00 10.43 N ATOM 1990 CA PRO A 125 16.803 -1.720 1.728 1.00 13.11 C ATOM 1991 C PRO A 125 17.821 -2.882 1.515 1.00 64.41 C ATOM 1992 O PRO A 125 18.584 -2.883 0.540 1.00 23.34 O ATOM 1993 CB PRO A 125 16.931 -1.114 3.159 1.00 1.00 C ATOM 1994 CG PRO A 125 15.529 -0.731 3.537 1.00 5.43 C ATOM 1995 CD PRO A 125 14.629 -1.755 2.879 1.00 11.33 C ATOM 0 HA PRO A 125 17.045 -1.017 0.931 1.00 13.11 H new ATOM 0 HB2 PRO A 125 17.346 -1.838 3.860 1.00 1.00 H new ATOM 0 HB3 PRO A 125 17.593 -0.248 3.165 1.00 1.00 H new ATOM 0 HG2 PRO A 125 15.401 -0.736 4.619 1.00 5.43 H new ATOM 0 HG3 PRO A 125 15.293 0.276 3.193 1.00 5.43 H new ATOM 0 HD2 PRO A 125 14.452 -2.610 3.532 1.00 11.33 H new ATOM 0 HD3 PRO A 125 13.654 -1.332 2.636 1.00 11.33 H new ATOM 2003 N THR A 126 17.811 -3.872 2.429 1.00 31.54 N ATOM 2004 CA THR A 126 18.761 -5.020 2.403 1.00 41.31 C ATOM 2005 C THR A 126 18.031 -6.363 2.193 1.00 31.14 C ATOM 2006 O THR A 126 16.802 -6.454 2.349 1.00 52.54 O ATOM 2007 CB THR A 126 19.613 -5.101 3.722 1.00 44.25 C ATOM 2008 OG1 THR A 126 18.768 -5.390 4.851 1.00 61.12 O ATOM 2009 CG2 THR A 126 20.390 -3.796 3.986 1.00 62.33 C ATOM 0 H THR A 126 17.151 -3.906 3.206 1.00 31.54 H new ATOM 0 HA THR A 126 19.427 -4.842 1.559 1.00 41.31 H new ATOM 0 HB THR A 126 20.335 -5.907 3.587 1.00 44.25 H new ATOM 0 HG1 THR A 126 19.313 -5.439 5.664 1.00 61.12 H new ATOM 0 HG21 THR A 126 20.965 -3.895 4.907 1.00 62.33 H new ATOM 0 HG22 THR A 126 21.067 -3.601 3.154 1.00 62.33 H new ATOM 0 HG23 THR A 126 19.688 -2.968 4.084 1.00 62.33 H new ATOM 2017 N GLU A 127 18.813 -7.407 1.840 1.00 74.00 N ATOM 2018 CA GLU A 127 18.299 -8.775 1.601 1.00 13.21 C ATOM 2019 C GLU A 127 17.616 -9.354 2.863 1.00 40.01 C ATOM 2020 O GLU A 127 16.550 -9.969 2.773 1.00 50.00 O ATOM 2021 CB GLU A 127 19.457 -9.697 1.132 1.00 63.32 C ATOM 2022 CG GLU A 127 20.093 -9.280 -0.213 1.00 32.14 C ATOM 2023 CD GLU A 127 21.351 -10.094 -0.569 1.00 52.44 C ATOM 2024 OE1 GLU A 127 22.467 -9.680 -0.180 1.00 43.44 O ATOM 2025 OE2 GLU A 127 21.234 -11.148 -1.232 1.00 12.45 O ATOM 0 H GLU A 127 19.822 -7.325 1.712 1.00 74.00 H new ATOM 0 HA GLU A 127 17.543 -8.724 0.818 1.00 13.21 H new ATOM 0 HB2 GLU A 127 20.231 -9.708 1.899 1.00 63.32 H new ATOM 0 HB3 GLU A 127 19.082 -10.716 1.043 1.00 63.32 H new ATOM 0 HG2 GLU A 127 19.356 -9.397 -1.007 1.00 32.14 H new ATOM 0 HG3 GLU A 127 20.352 -8.222 -0.172 1.00 32.14 H new ATOM 2032 N SER A 128 18.228 -9.111 4.036 1.00 14.33 N ATOM 2033 CA SER A 128 17.694 -9.575 5.342 1.00 14.42 C ATOM 2034 C SER A 128 16.522 -8.696 5.845 1.00 34.14 C ATOM 2035 O SER A 128 15.745 -9.141 6.685 1.00 3.53 O ATOM 2036 CB SER A 128 18.814 -9.632 6.402 1.00 54.14 C ATOM 2037 OG SER A 128 18.346 -10.128 7.654 1.00 61.40 O ATOM 0 H SER A 128 19.102 -8.591 4.112 1.00 14.33 H new ATOM 0 HA SER A 128 17.302 -10.580 5.184 1.00 14.42 H new ATOM 0 HB2 SER A 128 19.622 -10.268 6.040 1.00 54.14 H new ATOM 0 HB3 SER A 128 19.231 -8.635 6.541 1.00 54.14 H new ATOM 0 HG SER A 128 19.087 -10.149 8.295 1.00 61.40 H new ATOM 2043 N ALA A 129 16.408 -7.449 5.336 1.00 33.14 N ATOM 2044 CA ALA A 129 15.272 -6.544 5.666 1.00 45.40 C ATOM 2045 C ALA A 129 13.940 -7.076 5.084 1.00 3.12 C ATOM 2046 O ALA A 129 12.920 -7.133 5.782 1.00 72.51 O ATOM 2047 CB ALA A 129 15.550 -5.121 5.151 1.00 10.11 C ATOM 0 H ALA A 129 17.087 -7.041 4.694 1.00 33.14 H new ATOM 0 HA ALA A 129 15.176 -6.513 6.751 1.00 45.40 H new ATOM 0 HB1 ALA A 129 14.710 -4.473 5.401 1.00 10.11 H new ATOM 0 HB2 ALA A 129 16.457 -4.736 5.618 1.00 10.11 H new ATOM 0 HB3 ALA A 129 15.681 -5.145 4.069 1.00 10.11 H new ATOM 2053 N ALA A 130 13.974 -7.456 3.795 1.00 21.20 N ATOM 2054 CA ALA A 130 12.815 -8.073 3.103 1.00 21.21 C ATOM 2055 C ALA A 130 12.520 -9.486 3.643 1.00 65.12 C ATOM 2056 O ALA A 130 11.364 -9.865 3.869 1.00 71.54 O ATOM 2057 CB ALA A 130 13.090 -8.121 1.600 1.00 23.23 C ATOM 0 H ALA A 130 14.797 -7.348 3.202 1.00 21.20 H new ATOM 0 HA ALA A 130 11.933 -7.462 3.294 1.00 21.21 H new ATOM 0 HB1 ALA A 130 12.240 -8.574 1.089 1.00 23.23 H new ATOM 0 HB2 ALA A 130 13.241 -7.109 1.225 1.00 23.23 H new ATOM 0 HB3 ALA A 130 13.985 -8.715 1.413 1.00 23.23 H new ATOM 2063 N GLN A 131 13.602 -10.248 3.831 1.00 24.23 N ATOM 2064 CA GLN A 131 13.569 -11.597 4.444 1.00 14.10 C ATOM 2065 C GLN A 131 12.870 -11.597 5.826 1.00 24.00 C ATOM 2066 O GLN A 131 12.057 -12.476 6.115 1.00 65.43 O ATOM 2067 CB GLN A 131 15.019 -12.126 4.595 1.00 74.21 C ATOM 2068 CG GLN A 131 15.174 -13.462 5.349 1.00 52.43 C ATOM 2069 CD GLN A 131 14.484 -14.640 4.646 1.00 74.12 C ATOM 2070 OE1 GLN A 131 15.058 -15.287 3.778 1.00 11.43 O ATOM 2071 NE2 GLN A 131 13.263 -14.947 5.041 1.00 63.20 N ATOM 0 H GLN A 131 14.540 -9.950 3.562 1.00 24.23 H new ATOM 0 HA GLN A 131 12.991 -12.247 3.786 1.00 14.10 H new ATOM 0 HB2 GLN A 131 15.449 -12.241 3.600 1.00 74.21 H new ATOM 0 HB3 GLN A 131 15.609 -11.369 5.112 1.00 74.21 H new ATOM 0 HG2 GLN A 131 16.235 -13.686 5.462 1.00 52.43 H new ATOM 0 HG3 GLN A 131 14.762 -13.355 6.352 1.00 52.43 H new ATOM 0 HE21 GLN A 131 12.807 -14.393 5.766 1.00 63.20 H new ATOM 0 HE22 GLN A 131 12.775 -15.739 4.622 1.00 63.20 H new ATOM 2080 N GLN A 132 13.195 -10.589 6.653 1.00 42.31 N ATOM 2081 CA GLN A 132 12.703 -10.475 8.044 1.00 4.51 C ATOM 2082 C GLN A 132 11.154 -10.449 8.107 1.00 21.21 C ATOM 2083 O GLN A 132 10.537 -11.000 9.030 1.00 64.55 O ATOM 2084 CB GLN A 132 13.285 -9.190 8.702 1.00 25.35 C ATOM 2085 CG GLN A 132 13.082 -9.086 10.227 1.00 73.44 C ATOM 2086 CD GLN A 132 13.769 -10.222 10.988 1.00 35.14 C ATOM 2087 OE1 GLN A 132 13.175 -11.262 11.265 1.00 61.41 O ATOM 2088 NE2 GLN A 132 15.038 -10.046 11.300 1.00 44.54 N ATOM 0 H GLN A 132 13.810 -9.824 6.377 1.00 42.31 H new ATOM 0 HA GLN A 132 13.040 -11.355 8.592 1.00 4.51 H new ATOM 0 HB2 GLN A 132 14.353 -9.144 8.489 1.00 25.35 H new ATOM 0 HB3 GLN A 132 12.828 -8.320 8.230 1.00 25.35 H new ATOM 0 HG2 GLN A 132 13.471 -8.130 10.578 1.00 73.44 H new ATOM 0 HG3 GLN A 132 12.015 -9.097 10.450 1.00 73.44 H new ATOM 0 HE21 GLN A 132 15.506 -9.173 11.058 1.00 44.54 H new ATOM 0 HE22 GLN A 132 15.551 -10.783 11.783 1.00 44.54 H new ATOM 2097 N ALA A 133 10.551 -9.808 7.094 1.00 63.24 N ATOM 2098 CA ALA A 133 9.089 -9.751 6.928 1.00 13.21 C ATOM 2099 C ALA A 133 8.484 -11.160 6.664 1.00 52.24 C ATOM 2100 O ALA A 133 7.388 -11.473 7.133 1.00 21.33 O ATOM 2101 CB ALA A 133 8.745 -8.781 5.789 1.00 34.11 C ATOM 0 H ALA A 133 11.064 -9.313 6.365 1.00 63.24 H new ATOM 0 HA ALA A 133 8.648 -9.388 7.856 1.00 13.21 H new ATOM 0 HB1 ALA A 133 7.663 -8.736 5.663 1.00 34.11 H new ATOM 0 HB2 ALA A 133 9.124 -7.788 6.030 1.00 34.11 H new ATOM 0 HB3 ALA A 133 9.204 -9.129 4.864 1.00 34.11 H new ATOM 2107 N ILE A 134 9.219 -12.005 5.924 1.00 52.30 N ATOM 2108 CA ILE A 134 8.801 -13.401 5.628 1.00 63.41 C ATOM 2109 C ILE A 134 8.856 -14.279 6.908 1.00 53.34 C ATOM 2110 O ILE A 134 7.984 -15.132 7.127 1.00 71.34 O ATOM 2111 CB ILE A 134 9.684 -14.031 4.484 1.00 21.41 C ATOM 2112 CG1 ILE A 134 9.703 -13.093 3.231 1.00 44.54 C ATOM 2113 CG2 ILE A 134 9.208 -15.462 4.102 1.00 53.35 C ATOM 2114 CD1 ILE A 134 8.328 -12.742 2.681 1.00 32.43 C ATOM 0 H ILE A 134 10.117 -11.750 5.512 1.00 52.30 H new ATOM 0 HA ILE A 134 7.769 -13.370 5.278 1.00 63.41 H new ATOM 0 HB ILE A 134 10.701 -14.125 4.865 1.00 21.41 H new ATOM 0 HG12 ILE A 134 10.222 -12.171 3.492 1.00 44.54 H new ATOM 0 HG13 ILE A 134 10.283 -13.573 2.443 1.00 44.54 H new ATOM 0 HG21 ILE A 134 9.844 -15.858 3.310 1.00 53.35 H new ATOM 0 HG22 ILE A 134 9.269 -16.111 4.976 1.00 53.35 H new ATOM 0 HG23 ILE A 134 8.177 -15.421 3.752 1.00 53.35 H new ATOM 0 HD11 ILE A 134 8.438 -12.089 1.815 1.00 32.43 H new ATOM 0 HD12 ILE A 134 7.811 -13.655 2.384 1.00 32.43 H new ATOM 0 HD13 ILE A 134 7.749 -12.230 3.449 1.00 32.43 H new ATOM 2126 N ASP A 135 9.877 -14.037 7.756 1.00 14.13 N ATOM 2127 CA ASP A 135 9.972 -14.648 9.106 1.00 11.43 C ATOM 2128 C ASP A 135 8.820 -14.181 10.032 1.00 14.33 C ATOM 2129 O ASP A 135 8.416 -14.905 10.946 1.00 44.40 O ATOM 2130 CB ASP A 135 11.340 -14.312 9.747 1.00 35.33 C ATOM 2131 CG ASP A 135 12.513 -14.941 8.983 1.00 30.15 C ATOM 2132 OD1 ASP A 135 12.836 -16.120 9.248 1.00 73.31 O ATOM 2133 OD2 ASP A 135 13.107 -14.278 8.110 1.00 22.31 O ATOM 0 H ASP A 135 10.655 -13.418 7.530 1.00 14.13 H new ATOM 0 HA ASP A 135 9.883 -15.728 8.987 1.00 11.43 H new ATOM 0 HB2 ASP A 135 11.468 -13.230 9.778 1.00 35.33 H new ATOM 0 HB3 ASP A 135 11.351 -14.664 10.779 1.00 35.33 H new ATOM 2138 N MET A 136 8.326 -12.954 9.797 1.00 31.13 N ATOM 2139 CA MET A 136 7.159 -12.383 10.515 1.00 4.22 C ATOM 2140 C MET A 136 5.823 -13.023 10.023 1.00 60.14 C ATOM 2141 O MET A 136 4.836 -13.085 10.767 1.00 34.11 O ATOM 2142 CB MET A 136 7.141 -10.841 10.296 1.00 12.11 C ATOM 2143 CG MET A 136 6.125 -10.067 11.147 1.00 3.42 C ATOM 2144 SD MET A 136 6.515 -10.121 12.916 1.00 21.20 S ATOM 2145 CE MET A 136 8.108 -9.283 12.974 1.00 62.33 C ATOM 0 H MET A 136 8.722 -12.322 9.101 1.00 31.13 H new ATOM 0 HA MET A 136 7.251 -12.604 11.578 1.00 4.22 H new ATOM 0 HB2 MET A 136 8.137 -10.450 10.504 1.00 12.11 H new ATOM 0 HB3 MET A 136 6.934 -10.643 9.244 1.00 12.11 H new ATOM 0 HG2 MET A 136 6.096 -9.029 10.817 1.00 3.42 H new ATOM 0 HG3 MET A 136 5.130 -10.481 10.985 1.00 3.42 H new ATOM 0 HE1 MET A 136 8.313 -8.962 13.995 1.00 62.33 H new ATOM 0 HE2 MET A 136 8.891 -9.966 12.644 1.00 62.33 H new ATOM 0 HE3 MET A 136 8.085 -8.413 12.318 1.00 62.33 H new ATOM 2155 N GLY A 137 5.819 -13.506 8.763 1.00 33.52 N ATOM 2156 CA GLY A 137 4.607 -14.046 8.122 1.00 40.21 C ATOM 2157 C GLY A 137 3.799 -12.963 7.399 1.00 53.51 C ATOM 2158 O GLY A 137 2.562 -12.927 7.483 1.00 13.15 O ATOM 0 H GLY A 137 6.648 -13.532 8.169 1.00 33.52 H new ATOM 0 HA2 GLY A 137 4.890 -14.821 7.410 1.00 40.21 H new ATOM 0 HA3 GLY A 137 3.980 -14.520 8.877 1.00 40.21 H new ATOM 2162 N VAL A 138 4.517 -12.089 6.666 1.00 3.45 N ATOM 2163 CA VAL A 138 3.939 -10.886 6.019 1.00 73.01 C ATOM 2164 C VAL A 138 2.972 -11.240 4.858 1.00 22.42 C ATOM 2165 O VAL A 138 2.112 -10.445 4.513 1.00 42.35 O ATOM 2166 CB VAL A 138 5.084 -9.931 5.495 1.00 24.03 C ATOM 2167 CG1 VAL A 138 5.763 -10.479 4.209 1.00 33.22 C ATOM 2168 CG2 VAL A 138 4.585 -8.481 5.299 1.00 41.12 C ATOM 0 H VAL A 138 5.518 -12.195 6.503 1.00 3.45 H new ATOM 0 HA VAL A 138 3.356 -10.370 6.782 1.00 73.01 H new ATOM 0 HB VAL A 138 5.847 -9.907 6.273 1.00 24.03 H new ATOM 0 HG11 VAL A 138 6.543 -9.789 3.887 1.00 33.22 H new ATOM 0 HG12 VAL A 138 6.204 -11.454 4.418 1.00 33.22 H new ATOM 0 HG13 VAL A 138 5.019 -10.580 3.419 1.00 33.22 H new ATOM 0 HG21 VAL A 138 5.405 -7.860 4.938 1.00 41.12 H new ATOM 0 HG22 VAL A 138 3.774 -8.471 4.571 1.00 41.12 H new ATOM 0 HG23 VAL A 138 4.224 -8.089 6.250 1.00 41.12 H new ATOM 2178 N GLU A 139 3.126 -12.442 4.273 1.00 42.42 N ATOM 2179 CA GLU A 139 2.269 -12.917 3.159 1.00 61.11 C ATOM 2180 C GLU A 139 0.793 -13.052 3.618 1.00 50.44 C ATOM 2181 O GLU A 139 -0.122 -12.552 2.959 1.00 2.33 O ATOM 2182 CB GLU A 139 2.812 -14.265 2.607 1.00 50.11 C ATOM 2183 CG GLU A 139 4.262 -14.185 2.068 1.00 51.20 C ATOM 2184 CD GLU A 139 4.802 -15.528 1.535 1.00 12.34 C ATOM 2185 OE1 GLU A 139 4.342 -15.991 0.463 1.00 43.22 O ATOM 2186 OE2 GLU A 139 5.676 -16.138 2.186 1.00 23.15 O ATOM 0 H GLU A 139 3.842 -13.112 4.554 1.00 42.42 H new ATOM 0 HA GLU A 139 2.297 -12.181 2.356 1.00 61.11 H new ATOM 0 HB2 GLU A 139 2.770 -15.014 3.398 1.00 50.11 H new ATOM 0 HB3 GLU A 139 2.156 -14.609 1.807 1.00 50.11 H new ATOM 0 HG2 GLU A 139 4.303 -13.445 1.269 1.00 51.20 H new ATOM 0 HG3 GLU A 139 4.917 -13.831 2.864 1.00 51.20 H new ATOM 2193 N THR A 140 0.595 -13.683 4.791 1.00 15.02 N ATOM 2194 CA THR A 140 -0.739 -13.837 5.417 1.00 20.02 C ATOM 2195 C THR A 140 -1.241 -12.487 6.004 1.00 63.31 C ATOM 2196 O THR A 140 -2.434 -12.169 5.923 1.00 43.22 O ATOM 2197 CB THR A 140 -0.704 -14.921 6.552 1.00 51.42 C ATOM 2198 OG1 THR A 140 -0.119 -16.137 6.053 1.00 45.23 O ATOM 2199 CG2 THR A 140 -2.107 -15.233 7.116 1.00 74.24 C ATOM 0 H THR A 140 1.351 -14.101 5.333 1.00 15.02 H new ATOM 0 HA THR A 140 -1.429 -14.161 4.638 1.00 20.02 H new ATOM 0 HB THR A 140 -0.101 -14.511 7.362 1.00 51.42 H new ATOM 0 HG1 THR A 140 -0.099 -16.808 6.767 1.00 45.23 H new ATOM 0 HG21 THR A 140 -2.025 -15.989 7.897 1.00 74.24 H new ATOM 0 HG22 THR A 140 -2.542 -14.325 7.533 1.00 74.24 H new ATOM 0 HG23 THR A 140 -2.746 -15.606 6.316 1.00 74.24 H new ATOM 2207 N GLY A 141 -0.306 -11.697 6.582 1.00 5.52 N ATOM 2208 CA GLY A 141 -0.632 -10.385 7.184 1.00 44.22 C ATOM 2209 C GLY A 141 -1.161 -9.348 6.174 1.00 11.20 C ATOM 2210 O GLY A 141 -2.194 -8.713 6.407 1.00 72.11 O ATOM 0 H GLY A 141 0.681 -11.947 6.644 1.00 5.52 H new ATOM 0 HA2 GLY A 141 -1.378 -10.530 7.965 1.00 44.22 H new ATOM 0 HA3 GLY A 141 0.260 -9.986 7.666 1.00 44.22 H new ATOM 2214 N MET A 142 -0.453 -9.202 5.040 1.00 50.44 N ATOM 2215 CA MET A 142 -0.858 -8.304 3.929 1.00 15.32 C ATOM 2216 C MET A 142 -2.135 -8.817 3.234 1.00 33.21 C ATOM 2217 O MET A 142 -2.932 -8.023 2.746 1.00 72.05 O ATOM 2218 CB MET A 142 0.282 -8.142 2.887 1.00 15.31 C ATOM 2219 CG MET A 142 1.523 -7.395 3.398 1.00 4.55 C ATOM 2220 SD MET A 142 2.779 -7.158 2.113 1.00 32.55 S ATOM 2221 CE MET A 142 3.252 -8.843 1.706 1.00 51.24 C ATOM 0 H MET A 142 0.418 -9.701 4.862 1.00 50.44 H new ATOM 0 HA MET A 142 -1.067 -7.328 4.367 1.00 15.32 H new ATOM 0 HB2 MET A 142 0.586 -9.132 2.546 1.00 15.31 H new ATOM 0 HB3 MET A 142 -0.111 -7.613 2.019 1.00 15.31 H new ATOM 0 HG2 MET A 142 1.221 -6.423 3.788 1.00 4.55 H new ATOM 0 HG3 MET A 142 1.959 -7.950 4.228 1.00 4.55 H new ATOM 0 HE1 MET A 142 4.308 -8.990 1.934 1.00 51.24 H new ATOM 0 HE2 MET A 142 2.654 -9.541 2.292 1.00 51.24 H new ATOM 0 HE3 MET A 142 3.082 -9.022 0.644 1.00 51.24 H new ATOM 2231 N ASN A 143 -2.311 -10.154 3.185 1.00 74.13 N ATOM 2232 CA ASN A 143 -3.548 -10.782 2.667 1.00 32.42 C ATOM 2233 C ASN A 143 -4.764 -10.402 3.546 1.00 61.44 C ATOM 2234 O ASN A 143 -5.859 -10.221 3.032 1.00 43.13 O ATOM 2235 CB ASN A 143 -3.375 -12.322 2.590 1.00 3.31 C ATOM 2236 CG ASN A 143 -4.570 -13.041 1.954 1.00 61.35 C ATOM 2237 OD1 ASN A 143 -4.637 -13.216 0.743 1.00 14.42 O ATOM 2238 ND2 ASN A 143 -5.523 -13.463 2.767 1.00 44.43 N ATOM 0 H ASN A 143 -1.609 -10.824 3.499 1.00 74.13 H new ATOM 0 HA ASN A 143 -3.735 -10.408 1.661 1.00 32.42 H new ATOM 0 HB2 ASN A 143 -2.477 -12.550 2.017 1.00 3.31 H new ATOM 0 HB3 ASN A 143 -3.219 -12.713 3.596 1.00 3.31 H new ATOM 0 HD21 ASN A 143 -6.338 -13.947 2.390 1.00 44.43 H new ATOM 0 HD22 ASN A 143 -5.443 -13.305 3.772 1.00 44.43 H new ATOM 2245 N SER A 144 -4.539 -10.271 4.870 1.00 74.30 N ATOM 2246 CA SER A 144 -5.583 -9.854 5.846 1.00 53.31 C ATOM 2247 C SER A 144 -5.930 -8.347 5.717 1.00 71.24 C ATOM 2248 O SER A 144 -7.101 -7.962 5.830 1.00 23.32 O ATOM 2249 CB SER A 144 -5.124 -10.154 7.292 1.00 62.03 C ATOM 2250 OG SER A 144 -4.896 -11.539 7.486 1.00 24.04 O ATOM 0 H SER A 144 -3.631 -10.450 5.298 1.00 74.30 H new ATOM 0 HA SER A 144 -6.480 -10.430 5.619 1.00 53.31 H new ATOM 0 HB2 SER A 144 -4.210 -9.600 7.508 1.00 62.03 H new ATOM 0 HB3 SER A 144 -5.881 -9.807 7.995 1.00 62.03 H new ATOM 0 HG SER A 144 -4.104 -11.814 6.979 1.00 24.04 H new ATOM 2256 N THR A 145 -4.900 -7.502 5.495 1.00 51.11 N ATOM 2257 CA THR A 145 -5.082 -6.037 5.300 1.00 5.42 C ATOM 2258 C THR A 145 -5.806 -5.742 3.955 1.00 42.03 C ATOM 2259 O THR A 145 -6.665 -4.856 3.868 1.00 33.10 O ATOM 2260 CB THR A 145 -3.704 -5.283 5.355 1.00 34.11 C ATOM 2261 OG1 THR A 145 -3.010 -5.634 6.567 1.00 0.40 O ATOM 2262 CG2 THR A 145 -3.862 -3.749 5.303 1.00 64.31 C ATOM 0 H THR A 145 -3.928 -7.806 5.445 1.00 51.11 H new ATOM 0 HA THR A 145 -5.705 -5.670 6.116 1.00 5.42 H new ATOM 0 HB THR A 145 -3.138 -5.591 4.476 1.00 34.11 H new ATOM 0 HG1 THR A 145 -2.739 -6.575 6.528 1.00 0.40 H new ATOM 0 HG21 THR A 145 -2.879 -3.280 5.344 1.00 64.31 H new ATOM 0 HG22 THR A 145 -4.360 -3.466 4.376 1.00 64.31 H new ATOM 0 HG23 THR A 145 -4.459 -3.416 6.152 1.00 64.31 H new ATOM 2270 N LEU A 146 -5.455 -6.518 2.912 1.00 22.42 N ATOM 2271 CA LEU A 146 -6.127 -6.471 1.593 1.00 51.44 C ATOM 2272 C LEU A 146 -7.495 -7.199 1.616 1.00 72.23 C ATOM 2273 O LEU A 146 -8.341 -6.963 0.757 1.00 14.35 O ATOM 2274 CB LEU A 146 -5.204 -7.011 0.471 1.00 22.20 C ATOM 2275 CG LEU A 146 -3.877 -6.200 0.235 1.00 11.25 C ATOM 2276 CD1 LEU A 146 -3.120 -6.692 -1.010 1.00 25.31 C ATOM 2277 CD2 LEU A 146 -4.136 -4.687 0.139 1.00 0.03 C ATOM 0 H LEU A 146 -4.696 -7.198 2.957 1.00 22.42 H new ATOM 0 HA LEU A 146 -6.332 -5.424 1.369 1.00 51.44 H new ATOM 0 HB2 LEU A 146 -4.942 -8.043 0.706 1.00 22.20 H new ATOM 0 HB3 LEU A 146 -5.768 -7.030 -0.462 1.00 22.20 H new ATOM 0 HG LEU A 146 -3.249 -6.379 1.108 1.00 11.25 H new ATOM 0 HD11 LEU A 146 -2.210 -6.106 -1.138 1.00 25.31 H new ATOM 0 HD12 LEU A 146 -2.860 -7.743 -0.886 1.00 25.31 H new ATOM 0 HD13 LEU A 146 -3.753 -6.576 -1.890 1.00 25.31 H new ATOM 0 HD21 LEU A 146 -3.193 -4.166 -0.024 1.00 0.03 H new ATOM 0 HD22 LEU A 146 -4.810 -4.485 -0.693 1.00 0.03 H new ATOM 0 HD23 LEU A 146 -4.589 -4.336 1.066 1.00 0.03 H new ATOM 2289 N ASN A 147 -7.685 -8.112 2.579 1.00 31.24 N ATOM 2290 CA ASN A 147 -9.013 -8.710 2.884 1.00 21.14 C ATOM 2291 C ASN A 147 -9.980 -7.636 3.470 1.00 53.22 C ATOM 2292 O ASN A 147 -11.199 -7.758 3.355 1.00 14.53 O ATOM 2293 CB ASN A 147 -8.820 -9.922 3.836 1.00 20.33 C ATOM 2294 CG ASN A 147 -10.104 -10.558 4.342 1.00 32.51 C ATOM 2295 OD1 ASN A 147 -10.563 -10.262 5.438 1.00 33.00 O ATOM 2296 ND2 ASN A 147 -10.716 -11.402 3.539 1.00 25.14 N ATOM 0 H ASN A 147 -6.932 -8.462 3.172 1.00 31.24 H new ATOM 0 HA ASN A 147 -9.477 -9.073 1.967 1.00 21.14 H new ATOM 0 HB2 ASN A 147 -8.237 -10.682 3.317 1.00 20.33 H new ATOM 0 HB3 ASN A 147 -8.230 -9.599 4.694 1.00 20.33 H new ATOM 0 HD21 ASN A 147 -11.597 -11.829 3.824 1.00 25.14 H new ATOM 0 HD22 ASN A 147 -10.309 -11.629 2.632 1.00 25.14 H new ATOM 2303 N GLN A 148 -9.422 -6.587 4.109 1.00 74.33 N ATOM 2304 CA GLN A 148 -10.200 -5.384 4.510 1.00 43.22 C ATOM 2305 C GLN A 148 -10.488 -4.472 3.284 1.00 62.01 C ATOM 2306 O GLN A 148 -11.550 -3.848 3.197 1.00 63.53 O ATOM 2307 CB GLN A 148 -9.461 -4.590 5.626 1.00 2.21 C ATOM 2308 CG GLN A 148 -9.045 -5.426 6.863 1.00 74.55 C ATOM 2309 CD GLN A 148 -10.179 -6.275 7.461 1.00 71.42 C ATOM 2310 OE1 GLN A 148 -10.943 -5.816 8.306 1.00 23.12 O ATOM 2311 NE2 GLN A 148 -10.280 -7.532 7.044 1.00 21.20 N ATOM 0 H GLN A 148 -8.435 -6.544 4.361 1.00 74.33 H new ATOM 0 HA GLN A 148 -11.155 -5.723 4.911 1.00 43.22 H new ATOM 0 HB2 GLN A 148 -8.568 -4.136 5.197 1.00 2.21 H new ATOM 0 HB3 GLN A 148 -10.105 -3.775 5.957 1.00 2.21 H new ATOM 0 HG2 GLN A 148 -8.223 -6.084 6.583 1.00 74.55 H new ATOM 0 HG3 GLN A 148 -8.666 -4.753 7.632 1.00 74.55 H new ATOM 0 HE21 GLN A 148 -9.633 -7.890 6.341 1.00 21.20 H new ATOM 0 HE22 GLN A 148 -11.004 -8.140 7.427 1.00 21.20 H new ATOM 2320 N LEU A 149 -9.512 -4.410 2.346 1.00 73.32 N ATOM 2321 CA LEU A 149 -9.642 -3.677 1.064 1.00 5.44 C ATOM 2322 C LEU A 149 -10.772 -4.274 0.187 1.00 74.04 C ATOM 2323 O LEU A 149 -11.519 -3.551 -0.463 1.00 44.41 O ATOM 2324 CB LEU A 149 -8.280 -3.699 0.309 1.00 1.01 C ATOM 2325 CG LEU A 149 -8.234 -2.951 -1.058 1.00 63.41 C ATOM 2326 CD1 LEU A 149 -8.672 -1.494 -0.892 1.00 15.30 C ATOM 2327 CD2 LEU A 149 -6.838 -3.033 -1.717 1.00 32.11 C ATOM 0 H LEU A 149 -8.608 -4.869 2.459 1.00 73.32 H new ATOM 0 HA LEU A 149 -9.912 -2.643 1.279 1.00 5.44 H new ATOM 0 HB2 LEU A 149 -7.521 -3.267 0.961 1.00 1.01 H new ATOM 0 HB3 LEU A 149 -8.000 -4.739 0.139 1.00 1.01 H new ATOM 0 HG LEU A 149 -8.935 -3.452 -1.726 1.00 63.41 H new ATOM 0 HD11 LEU A 149 -8.633 -0.990 -1.858 1.00 15.30 H new ATOM 0 HD12 LEU A 149 -9.691 -1.462 -0.507 1.00 15.30 H new ATOM 0 HD13 LEU A 149 -8.004 -0.991 -0.193 1.00 15.30 H new ATOM 0 HD21 LEU A 149 -6.852 -2.498 -2.667 1.00 32.11 H new ATOM 0 HD22 LEU A 149 -6.097 -2.581 -1.057 1.00 32.11 H new ATOM 0 HD23 LEU A 149 -6.579 -4.077 -1.892 1.00 32.11 H new ATOM 2339 N GLU A 150 -10.872 -5.604 0.213 1.00 64.31 N ATOM 2340 CA GLU A 150 -11.989 -6.384 -0.376 1.00 62.21 C ATOM 2341 C GLU A 150 -13.373 -5.812 0.049 1.00 72.14 C ATOM 2342 O GLU A 150 -14.204 -5.458 -0.794 1.00 31.25 O ATOM 2343 CB GLU A 150 -11.831 -7.848 0.119 1.00 55.45 C ATOM 2344 CG GLU A 150 -13.055 -8.781 -0.054 1.00 62.32 C ATOM 2345 CD GLU A 150 -12.998 -9.990 0.896 1.00 72.50 C ATOM 2346 OE1 GLU A 150 -13.125 -9.786 2.131 1.00 0.23 O ATOM 2347 OE2 GLU A 150 -12.812 -11.137 0.436 1.00 63.05 O ATOM 0 H GLU A 150 -10.166 -6.194 0.653 1.00 64.31 H new ATOM 0 HA GLU A 150 -11.951 -6.330 -1.464 1.00 62.21 H new ATOM 0 HB2 GLU A 150 -10.987 -8.295 -0.406 1.00 55.45 H new ATOM 0 HB3 GLU A 150 -11.571 -7.822 1.177 1.00 55.45 H new ATOM 0 HG2 GLU A 150 -13.969 -8.217 0.131 1.00 62.32 H new ATOM 0 HG3 GLU A 150 -13.100 -9.132 -1.085 1.00 62.32 H new ATOM 2354 N LYS A 151 -13.563 -5.690 1.374 1.00 63.02 N ATOM 2355 CA LYS A 151 -14.832 -5.229 1.991 1.00 34.02 C ATOM 2356 C LYS A 151 -15.108 -3.744 1.697 1.00 13.33 C ATOM 2357 O LYS A 151 -16.262 -3.335 1.534 1.00 25.00 O ATOM 2358 CB LYS A 151 -14.764 -5.450 3.517 1.00 40.31 C ATOM 2359 CG LYS A 151 -14.466 -6.906 3.908 1.00 64.01 C ATOM 2360 CD LYS A 151 -14.349 -7.108 5.432 1.00 64.20 C ATOM 2361 CE LYS A 151 -14.120 -8.579 5.789 1.00 24.30 C ATOM 2362 NZ LYS A 151 -12.944 -9.127 5.076 1.00 61.14 N ATOM 0 H LYS A 151 -12.838 -5.909 2.058 1.00 63.02 H new ATOM 0 HA LYS A 151 -15.647 -5.808 1.558 1.00 34.02 H new ATOM 0 HB2 LYS A 151 -13.993 -4.803 3.937 1.00 40.31 H new ATOM 0 HB3 LYS A 151 -15.711 -5.148 3.963 1.00 40.31 H new ATOM 0 HG2 LYS A 151 -15.256 -7.549 3.521 1.00 64.01 H new ATOM 0 HG3 LYS A 151 -13.537 -7.221 3.433 1.00 64.01 H new ATOM 0 HD2 LYS A 151 -13.525 -6.507 5.817 1.00 64.20 H new ATOM 0 HD3 LYS A 151 -15.258 -6.752 5.918 1.00 64.20 H new ATOM 0 HE2 LYS A 151 -13.974 -8.676 6.865 1.00 24.30 H new ATOM 0 HE3 LYS A 151 -15.006 -9.160 5.534 1.00 24.30 H new ATOM 0 HZ1 LYS A 151 -13.263 -9.768 4.322 1.00 61.14 H new ATOM 0 HZ2 LYS A 151 -12.397 -8.347 4.659 1.00 61.14 H new ATOM 0 HZ3 LYS A 151 -12.345 -9.651 5.746 1.00 61.14 H new ATOM 2376 N LEU A 152 -14.020 -2.960 1.651 1.00 65.41 N ATOM 2377 CA LEU A 152 -14.043 -1.520 1.327 1.00 23.33 C ATOM 2378 C LEU A 152 -14.621 -1.251 -0.086 1.00 71.05 C ATOM 2379 O LEU A 152 -15.561 -0.472 -0.244 1.00 21.11 O ATOM 2380 CB LEU A 152 -12.594 -0.955 1.440 1.00 14.14 C ATOM 2381 CG LEU A 152 -12.339 0.464 0.836 1.00 40.44 C ATOM 2382 CD1 LEU A 152 -13.222 1.537 1.491 1.00 41.51 C ATOM 2383 CD2 LEU A 152 -10.855 0.840 0.924 1.00 34.24 C ATOM 0 H LEU A 152 -13.082 -3.312 1.841 1.00 65.41 H new ATOM 0 HA LEU A 152 -14.699 -1.016 2.037 1.00 23.33 H new ATOM 0 HB2 LEU A 152 -12.322 -0.929 2.495 1.00 14.14 H new ATOM 0 HB3 LEU A 152 -11.917 -1.657 0.954 1.00 14.14 H new ATOM 0 HG LEU A 152 -12.617 0.421 -0.217 1.00 40.44 H new ATOM 0 HD11 LEU A 152 -13.011 2.507 1.040 1.00 41.51 H new ATOM 0 HD12 LEU A 152 -14.272 1.287 1.339 1.00 41.51 H new ATOM 0 HD13 LEU A 152 -13.010 1.580 2.559 1.00 41.51 H new ATOM 0 HD21 LEU A 152 -10.705 1.832 0.497 1.00 34.24 H new ATOM 0 HD22 LEU A 152 -10.542 0.843 1.968 1.00 34.24 H new ATOM 0 HD23 LEU A 152 -10.262 0.113 0.370 1.00 34.24 H new ATOM 2395 N LEU A 153 -14.040 -1.910 -1.091 1.00 61.35 N ATOM 2396 CA LEU A 153 -14.353 -1.656 -2.515 1.00 1.22 C ATOM 2397 C LEU A 153 -15.715 -2.262 -2.918 1.00 54.41 C ATOM 2398 O LEU A 153 -16.417 -1.722 -3.778 1.00 63.45 O ATOM 2399 CB LEU A 153 -13.203 -2.213 -3.381 1.00 34.43 C ATOM 2400 CG LEU A 153 -11.784 -1.694 -2.984 1.00 1.02 C ATOM 2401 CD1 LEU A 153 -10.685 -2.365 -3.812 1.00 53.12 C ATOM 2402 CD2 LEU A 153 -11.686 -0.150 -3.046 1.00 60.32 C ATOM 0 H LEU A 153 -13.338 -2.636 -0.949 1.00 61.35 H new ATOM 0 HA LEU A 153 -14.440 -0.582 -2.678 1.00 1.22 H new ATOM 0 HB2 LEU A 153 -13.210 -3.301 -3.315 1.00 34.43 H new ATOM 0 HB3 LEU A 153 -13.392 -1.955 -4.423 1.00 34.43 H new ATOM 0 HG LEU A 153 -11.626 -1.977 -1.943 1.00 1.02 H new ATOM 0 HD11 LEU A 153 -9.713 -1.978 -3.507 1.00 53.12 H new ATOM 0 HD12 LEU A 153 -10.714 -3.443 -3.650 1.00 53.12 H new ATOM 0 HD13 LEU A 153 -10.845 -2.152 -4.869 1.00 53.12 H new ATOM 0 HD21 LEU A 153 -10.681 0.163 -2.762 1.00 60.32 H new ATOM 0 HD22 LEU A 153 -11.897 0.188 -4.061 1.00 60.32 H new ATOM 0 HD23 LEU A 153 -12.410 0.288 -2.359 1.00 60.32 H new ATOM 2414 N ASN A 154 -16.073 -3.388 -2.277 1.00 54.24 N ATOM 2415 CA ASN A 154 -17.408 -4.010 -2.434 1.00 1.13 C ATOM 2416 C ASN A 154 -18.487 -3.199 -1.670 1.00 44.54 C ATOM 2417 O ASN A 154 -19.655 -3.180 -2.077 1.00 11.45 O ATOM 2418 CB ASN A 154 -17.380 -5.489 -1.960 1.00 43.14 C ATOM 2419 CG ASN A 154 -16.552 -6.428 -2.859 1.00 40.52 C ATOM 2420 OD1 ASN A 154 -15.437 -5.962 -3.406 1.00 54.54 O flip ATOM 2421 ND2 ASN A 154 -16.894 -7.591 -3.040 1.00 12.42 N flip ATOM 0 H ASN A 154 -15.455 -3.892 -1.641 1.00 54.24 H new ATOM 0 HA ASN A 154 -17.670 -3.999 -3.492 1.00 1.13 H new ATOM 0 HB2 ASN A 154 -16.978 -5.526 -0.948 1.00 43.14 H new ATOM 0 HB3 ASN A 154 -18.403 -5.862 -1.910 1.00 43.14 H new ATOM 0 HD21 ASN A 154 -17.753 -7.942 -2.616 1.00 12.42 H new ATOM 0 HD22 ASN A 154 -16.320 -8.208 -3.615 1.00 12.42 H new ATOM 2428 N GLN A 155 -18.056 -2.524 -0.572 1.00 50.02 N ATOM 2429 CA GLN A 155 -18.906 -1.681 0.309 1.00 5.03 C ATOM 2430 C GLN A 155 -20.000 -2.498 1.058 1.00 24.24 C ATOM 2431 O GLN A 155 -20.695 -3.330 0.465 1.00 73.13 O ATOM 2432 CB GLN A 155 -19.523 -0.475 -0.461 1.00 34.13 C ATOM 2433 CG GLN A 155 -18.495 0.564 -0.961 1.00 13.31 C ATOM 2434 CD GLN A 155 -19.137 1.747 -1.688 1.00 4.03 C ATOM 2435 OE1 GLN A 155 -19.495 2.753 -1.084 1.00 22.25 O ATOM 2436 NE2 GLN A 155 -19.296 1.633 -2.993 1.00 72.11 N ATOM 0 H GLN A 155 -17.083 -2.552 -0.268 1.00 50.02 H new ATOM 0 HA GLN A 155 -18.241 -1.280 1.074 1.00 5.03 H new ATOM 0 HB2 GLN A 155 -20.081 -0.855 -1.317 1.00 34.13 H new ATOM 0 HB3 GLN A 155 -20.239 0.026 0.190 1.00 34.13 H new ATOM 0 HG2 GLN A 155 -17.922 0.936 -0.112 1.00 13.31 H new ATOM 0 HG3 GLN A 155 -17.789 0.074 -1.632 1.00 13.31 H new ATOM 0 HE21 GLN A 155 -18.990 0.786 -3.472 1.00 72.11 H new ATOM 0 HE22 GLN A 155 -19.725 2.392 -3.523 1.00 72.11 H new