USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 849 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 19 ASN : amide:sc= 0.343 K(o=1.3,f=-1.5!) USER MOD Set 1.2: A 21 ASN : amide:sc= 0.014 K(o=1.3,f=0.77) USER MOD Set 1.3: A 76 LYS NZ :NH3+ 159:sc= 0.961 (180deg=0.732) USER MOD Set 2.1: A 69 SER OG : rot 30:sc= 0.991 USER MOD Set 2.2: A 71 GLN : amide:sc= 0.504 K(o=3.1,f=-3.6!) USER MOD Set 2.3: A 87 LYS NZ :NH3+ -171:sc= 1.58 (180deg=0) USER MOD Set 3.1: A 67 THR OG1 : rot 139:sc= 0.386 USER MOD Set 3.2: A 90 SER OG : rot 180:sc= 0.051 USER MOD Set 3.3: A 91 GLN : amide:sc= -0.306 K(o=0.13,f=-2.2!) USER MOD Set 4.1: A 42 ASN : amide:sc= -0.266 K(o=2,f=-4.9!) USER MOD Set 4.2: A 62 SER OG : rot 83:sc= 2.24 USER MOD Set 5.1: A 54 THR OG1 : rot 180:sc= 0.541 USER MOD Set 5.2: A 75 LYS NZ :NH3+ 147:sc= 1.77 (180deg=1.77) USER MOD Set 6.1: A 29 GLN : amide:sc= 0.94 K(o=1.8,f=-1.7) USER MOD Set 6.2: A 107 ASN : amide:sc= 0.906 K(o=1.8,f=-1.6!) USER MOD Set 7.1: A 3 LYS NZ :NH3+ 160:sc= 2.31 (180deg=0) USER MOD Set 7.2: A 5 THR OG1 : rot 64:sc= 1.37 USER MOD Set 7.3: A 14 THR OG1 : rot -160:sc= 0.907 USER MOD Set 8.1: A 1 MET N :NH3+ -177:sc= -0.148 (180deg=0.0914) USER MOD Set 8.2: A 17 ASN : amide:sc= -1.24 K(o=-1.4,f=-7.1!) USER MOD Single : A 1 MET CE :methyl 138:sc= -0.0596 (180deg=-0.377) USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.25) USER MOD Single : A 11 TYR OH : rot 150:sc= -0.854 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -170:sc= -0.0681 USER MOD Single : A 18 TYR OH : rot 165:sc= 0.258 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0199 X(o=-0.02,f=0) USER MOD Single : A 27 THR OG1 : rot 154:sc= 1.17 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0272 F(o=-0.79,f=-0.027) USER MOD Single : A 33 ASN :FLIP amide:sc= -0.157 F(o=-1.1,f=-0.16) USER MOD Single : A 35 GLN : amide:sc= 0.242 X(o=0.24,f=-0.036) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -149:sc= 0.813 (180deg=-0.937!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -160:sc= 0.0231 USER MOD Single : A 49 ASN : amide:sc=-0.00703 X(o=-0.007,f=-0.018) USER MOD Single : A 50 LYS NZ :NH3+ -148:sc= -2.43! (180deg=-5.3!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= 1.13 K(o=1.1,f=-0.22) USER MOD Single : A 60 SER OG : rot 128:sc= -1.04 USER MOD Single : A 64 SER OG : rot -1:sc= 0.116 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -137:sc= -0.842 (180deg=-3.56!) USER MOD Single : A 79 ASN : amide:sc= 0.989 K(o=0.99,f=-2.3!) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 75:sc= 0.81 USER MOD Single : A 85 SER OG : rot 97:sc= 0.798 USER MOD Single : A 88 TYR OH : rot -134:sc= 1.22 USER MOD Single : A 93 ASN : amide:sc= -2.35 K(o=-2.4,f=-6.2!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0266 USER MOD Single : A 97 SER OG : rot 171:sc= 0.00892 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 THR OG1 : rot 126:sc= 1.23 USER MOD Single : A 114 HIS : no HE2:sc= 0.133 K(o=0.13,f=-1.9) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.055 -7.459 1.498 1.00 55.34 N ATOM 2 CA MET A 1 -16.745 -7.924 2.740 1.00 0.00 C ATOM 3 C MET A 1 -15.881 -8.953 3.442 1.00 72.11 C ATOM 4 O MET A 1 -16.035 -9.238 4.614 1.00 75.14 O ATOM 5 CB MET A 1 -18.135 -8.512 2.414 1.00 63.50 C ATOM 6 CG MET A 1 -18.114 -9.735 1.495 1.00 3.51 C ATOM 7 SD MET A 1 -19.758 -10.411 1.173 1.00 1.31 S ATOM 8 CE MET A 1 -20.570 -9.039 0.347 1.00 22.11 C ATOM 0 H1 MET A 1 -16.623 -6.716 1.043 1.00 55.34 H new ATOM 0 H2 MET A 1 -15.119 -7.078 1.743 1.00 55.34 H new ATOM 0 H3 MET A 1 -15.942 -8.259 0.843 1.00 55.34 H new ATOM 0 HA MET A 1 -16.895 -7.070 3.400 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.627 -8.785 3.348 1.00 63.50 H new ATOM 0 HB3 MET A 1 -18.743 -7.736 1.949 1.00 63.50 H new ATOM 0 HG2 MET A 1 -17.649 -9.462 0.548 1.00 3.51 H new ATOM 0 HG3 MET A 1 -17.492 -10.509 1.945 1.00 3.51 H new ATOM 0 HE1 MET A 1 -21.155 -9.414 -0.493 1.00 22.11 H new ATOM 0 HE2 MET A 1 -21.230 -8.530 1.050 1.00 22.11 H new ATOM 0 HE3 MET A 1 -19.819 -8.338 -0.018 1.00 22.11 H new ATOM 17 N ASP A 2 -14.983 -9.467 2.685 1.00 63.24 N ATOM 18 CA ASP A 2 -14.039 -10.485 3.023 1.00 3.24 C ATOM 19 C ASP A 2 -12.690 -9.838 3.233 1.00 22.43 C ATOM 20 O ASP A 2 -12.532 -8.633 2.960 1.00 13.14 O ATOM 21 CB ASP A 2 -13.941 -11.371 1.782 1.00 44.50 C ATOM 22 CG ASP A 2 -13.641 -10.512 0.532 1.00 23.34 C ATOM 23 OD1 ASP A 2 -14.570 -9.690 0.115 1.00 13.43 O ATOM 24 OD2 ASP A 2 -12.524 -10.572 0.017 1.00 43.34 O ATOM 0 H ASP A 2 -14.875 -9.160 1.718 1.00 63.24 H new ATOM 0 HA ASP A 2 -14.330 -11.036 3.917 1.00 3.24 H new ATOM 0 HB2 ASP A 2 -13.155 -12.114 1.918 1.00 44.50 H new ATOM 0 HB3 ASP A 2 -14.874 -11.916 1.641 1.00 44.50 H new ATOM 29 N LYS A 3 -11.727 -10.607 3.730 1.00 22.42 N ATOM 30 CA LYS A 3 -10.370 -10.134 3.799 1.00 63.44 C ATOM 31 C LYS A 3 -9.351 -11.262 3.832 1.00 54.51 C ATOM 32 O LYS A 3 -9.068 -11.856 4.883 1.00 32.45 O ATOM 33 CB LYS A 3 -10.103 -9.024 4.867 1.00 74.50 C ATOM 34 CG LYS A 3 -10.127 -9.440 6.342 1.00 53.43 C ATOM 35 CD LYS A 3 -9.945 -8.225 7.277 1.00 33.21 C ATOM 36 CE LYS A 3 -8.694 -7.378 6.947 1.00 74.22 C ATOM 37 NZ LYS A 3 -7.406 -8.106 7.119 1.00 54.44 N ATOM 0 H LYS A 3 -11.870 -11.552 4.086 1.00 22.42 H new ATOM 0 HA LYS A 3 -10.223 -9.614 2.852 1.00 63.44 H new ATOM 0 HB2 LYS A 3 -9.128 -8.584 4.658 1.00 74.50 H new ATOM 0 HB3 LYS A 3 -10.845 -8.238 4.727 1.00 74.50 H new ATOM 0 HG2 LYS A 3 -11.072 -9.934 6.566 1.00 53.43 H new ATOM 0 HG3 LYS A 3 -9.336 -10.166 6.529 1.00 53.43 H new ATOM 0 HD2 LYS A 3 -10.830 -7.592 7.214 1.00 33.21 H new ATOM 0 HD3 LYS A 3 -9.876 -8.576 8.307 1.00 33.21 H new ATOM 0 HE2 LYS A 3 -8.767 -7.028 5.917 1.00 74.22 H new ATOM 0 HE3 LYS A 3 -8.688 -6.494 7.585 1.00 74.22 H new ATOM 0 HZ1 LYS A 3 -6.660 -7.625 6.577 1.00 54.44 H new ATOM 0 HZ2 LYS A 3 -7.148 -8.121 8.126 1.00 54.44 H new ATOM 0 HZ3 LYS A 3 -7.510 -9.081 6.774 1.00 54.44 H new ATOM 51 N GLY A 4 -8.816 -11.558 2.668 1.00 10.33 N ATOM 52 CA GLY A 4 -7.774 -12.545 2.548 1.00 73.14 C ATOM 53 C GLY A 4 -6.504 -11.976 3.102 1.00 21.00 C ATOM 54 O GLY A 4 -5.824 -11.204 2.439 1.00 20.33 O ATOM 0 H GLY A 4 -9.090 -11.124 1.787 1.00 10.33 H new ATOM 0 HA2 GLY A 4 -8.049 -13.451 3.088 1.00 73.14 H new ATOM 0 HA3 GLY A 4 -7.638 -12.825 1.503 1.00 73.14 H new ATOM 58 N THR A 5 -6.232 -12.294 4.330 1.00 65.10 N ATOM 59 CA THR A 5 -5.118 -11.733 5.020 1.00 42.34 C ATOM 60 C THR A 5 -4.030 -12.783 5.172 1.00 14.25 C ATOM 61 O THR A 5 -4.172 -13.716 5.959 1.00 75.12 O ATOM 62 CB THR A 5 -5.583 -11.244 6.394 1.00 51.15 C ATOM 63 OG1 THR A 5 -6.851 -10.549 6.221 1.00 34.24 O ATOM 64 CG2 THR A 5 -4.562 -10.287 7.002 1.00 13.01 C ATOM 0 H THR A 5 -6.781 -12.953 4.882 1.00 65.10 H new ATOM 0 HA THR A 5 -4.712 -10.893 4.456 1.00 42.34 H new ATOM 0 HB THR A 5 -5.694 -12.096 7.065 1.00 51.15 H new ATOM 0 HG1 THR A 5 -7.528 -11.179 5.898 1.00 34.24 H new ATOM 0 HG21 THR A 5 -4.913 -9.952 7.978 1.00 13.01 H new ATOM 0 HG22 THR A 5 -3.606 -10.799 7.116 1.00 13.01 H new ATOM 0 HG23 THR A 5 -4.436 -9.425 6.347 1.00 13.01 H new ATOM 72 N GLN A 6 -2.976 -12.650 4.405 1.00 40.12 N ATOM 73 CA GLN A 6 -1.891 -13.601 4.435 1.00 40.33 C ATOM 74 C GLN A 6 -0.569 -12.872 4.341 1.00 75.54 C ATOM 75 O GLN A 6 -0.432 -11.917 3.588 1.00 35.04 O ATOM 76 CB GLN A 6 -2.003 -14.581 3.251 1.00 73.24 C ATOM 77 CG GLN A 6 -3.280 -15.417 3.232 1.00 75.14 C ATOM 78 CD GLN A 6 -3.404 -16.314 2.011 1.00 23.10 C ATOM 79 OE1 GLN A 6 -2.293 -16.775 1.484 1.00 54.14 O flip ATOM 80 NE2 GLN A 6 -4.493 -16.599 1.553 1.00 22.43 N flip ATOM 0 H GLN A 6 -2.846 -11.883 3.745 1.00 40.12 H new ATOM 0 HA GLN A 6 -1.945 -14.156 5.371 1.00 40.33 H new ATOM 0 HB2 GLN A 6 -1.942 -14.015 2.322 1.00 73.24 H new ATOM 0 HB3 GLN A 6 -1.145 -15.253 3.271 1.00 73.24 H new ATOM 0 HG2 GLN A 6 -3.314 -16.034 4.130 1.00 75.14 H new ATOM 0 HG3 GLN A 6 -4.141 -14.750 3.271 1.00 75.14 H new ATOM 0 HE21 GLN A 6 -5.340 -16.227 1.982 1.00 22.43 H new ATOM 0 HE22 GLN A 6 -4.560 -17.210 0.739 1.00 22.43 H new ATOM 89 N TYR A 7 0.372 -13.298 5.123 1.00 2.52 N ATOM 90 CA TYR A 7 1.719 -12.795 5.062 1.00 3.32 C ATOM 91 C TYR A 7 2.657 -13.954 4.794 1.00 43.13 C ATOM 92 O TYR A 7 2.633 -14.946 5.523 1.00 65.23 O ATOM 93 CB TYR A 7 2.095 -11.988 6.336 1.00 63.14 C ATOM 94 CG TYR A 7 1.826 -12.679 7.670 1.00 64.45 C ATOM 95 CD1 TYR A 7 0.578 -12.587 8.278 1.00 12.25 C ATOM 96 CD2 TYR A 7 2.817 -13.404 8.322 1.00 4.25 C ATOM 97 CE1 TYR A 7 0.325 -13.194 9.491 1.00 32.34 C ATOM 98 CE2 TYR A 7 2.571 -14.016 9.537 1.00 65.22 C ATOM 99 CZ TYR A 7 1.324 -13.909 10.116 1.00 2.31 C ATOM 100 OH TYR A 7 1.076 -14.512 11.326 1.00 22.20 O ATOM 0 H TYR A 7 0.230 -14.015 5.834 1.00 2.52 H new ATOM 0 HA TYR A 7 1.809 -12.082 4.242 1.00 3.32 H new ATOM 0 HB2 TYR A 7 3.155 -11.740 6.285 1.00 63.14 H new ATOM 0 HB3 TYR A 7 1.547 -11.046 6.320 1.00 63.14 H new ATOM 0 HD1 TYR A 7 -0.208 -12.029 7.791 1.00 12.25 H new ATOM 0 HD2 TYR A 7 3.795 -13.491 7.872 1.00 4.25 H new ATOM 0 HE1 TYR A 7 -0.650 -13.109 9.948 1.00 32.34 H new ATOM 0 HE2 TYR A 7 3.352 -14.575 10.031 1.00 65.22 H new ATOM 0 HH TYR A 7 1.883 -14.977 11.631 1.00 22.20 H new ATOM 110 N LYS A 8 3.432 -13.876 3.743 1.00 23.00 N ATOM 111 CA LYS A 8 4.308 -14.971 3.398 1.00 74.23 C ATOM 112 C LYS A 8 5.526 -14.463 2.655 1.00 4.02 C ATOM 113 O LYS A 8 5.399 -13.739 1.683 1.00 21.00 O ATOM 114 CB LYS A 8 3.543 -16.015 2.545 1.00 45.04 C ATOM 115 CG LYS A 8 4.309 -17.312 2.236 1.00 72.03 C ATOM 116 CD LYS A 8 4.657 -18.089 3.508 1.00 61.42 C ATOM 117 CE LYS A 8 5.300 -19.450 3.197 1.00 54.23 C ATOM 118 NZ LYS A 8 6.585 -19.335 2.466 1.00 73.34 N ATOM 0 H LYS A 8 3.476 -13.074 3.114 1.00 23.00 H new ATOM 0 HA LYS A 8 4.647 -15.452 4.316 1.00 74.23 H new ATOM 0 HB2 LYS A 8 2.620 -16.274 3.063 1.00 45.04 H new ATOM 0 HB3 LYS A 8 3.259 -15.549 1.602 1.00 45.04 H new ATOM 0 HG2 LYS A 8 3.707 -17.941 1.580 1.00 72.03 H new ATOM 0 HG3 LYS A 8 5.225 -17.072 1.696 1.00 72.03 H new ATOM 0 HD2 LYS A 8 5.339 -17.497 4.118 1.00 61.42 H new ATOM 0 HD3 LYS A 8 3.753 -18.242 4.098 1.00 61.42 H new ATOM 0 HE2 LYS A 8 5.467 -19.987 4.130 1.00 54.23 H new ATOM 0 HE3 LYS A 8 4.605 -20.046 2.606 1.00 54.23 H new ATOM 0 HZ1 LYS A 8 6.977 -20.284 2.301 1.00 73.34 H new ATOM 0 HZ2 LYS A 8 6.424 -18.863 1.553 1.00 73.34 H new ATOM 0 HZ3 LYS A 8 7.257 -18.777 3.031 1.00 73.34 H new ATOM 132 N ASP A 9 6.693 -14.803 3.193 1.00 24.21 N ATOM 133 CA ASP A 9 8.033 -14.543 2.594 1.00 61.53 C ATOM 134 C ASP A 9 8.244 -13.077 2.247 1.00 42.41 C ATOM 135 O ASP A 9 8.912 -12.742 1.282 1.00 35.23 O ATOM 136 CB ASP A 9 8.241 -15.415 1.338 1.00 2.30 C ATOM 137 CG ASP A 9 7.969 -16.875 1.591 1.00 31.31 C ATOM 138 OD1 ASP A 9 8.360 -17.415 2.667 1.00 74.31 O ATOM 139 OD2 ASP A 9 7.256 -17.516 0.779 1.00 63.22 O ATOM 0 H ASP A 9 6.753 -15.285 4.090 1.00 24.21 H new ATOM 0 HA ASP A 9 8.772 -14.808 3.350 1.00 61.53 H new ATOM 0 HB2 ASP A 9 7.586 -15.060 0.542 1.00 2.30 H new ATOM 0 HB3 ASP A 9 9.265 -15.297 0.984 1.00 2.30 H new ATOM 144 N GLY A 10 7.732 -12.206 3.089 1.00 43.21 N ATOM 145 CA GLY A 10 7.920 -10.792 2.879 1.00 74.22 C ATOM 146 C GLY A 10 6.787 -10.155 2.102 1.00 33.21 C ATOM 147 O GLY A 10 6.715 -8.940 1.996 1.00 14.52 O ATOM 0 H GLY A 10 7.188 -12.451 3.916 1.00 43.21 H new ATOM 0 HA2 GLY A 10 8.015 -10.296 3.845 1.00 74.22 H new ATOM 0 HA3 GLY A 10 8.856 -10.631 2.344 1.00 74.22 H new ATOM 151 N TYR A 11 5.906 -10.954 1.570 1.00 44.45 N ATOM 152 CA TYR A 11 4.789 -10.444 0.817 1.00 4.50 C ATOM 153 C TYR A 11 3.572 -10.380 1.744 1.00 70.10 C ATOM 154 O TYR A 11 3.318 -11.319 2.509 1.00 24.22 O ATOM 155 CB TYR A 11 4.531 -11.353 -0.392 1.00 1.51 C ATOM 156 CG TYR A 11 3.693 -10.731 -1.484 1.00 60.31 C ATOM 157 CD1 TYR A 11 4.288 -9.946 -2.462 1.00 60.35 C ATOM 158 CD2 TYR A 11 2.327 -10.929 -1.549 1.00 74.13 C ATOM 159 CE1 TYR A 11 3.543 -9.376 -3.473 1.00 23.33 C ATOM 160 CE2 TYR A 11 1.574 -10.362 -2.560 1.00 31.24 C ATOM 161 CZ TYR A 11 2.189 -9.588 -3.515 1.00 53.11 C ATOM 162 OH TYR A 11 1.440 -9.022 -4.521 1.00 51.23 O ATOM 0 H TYR A 11 5.938 -11.971 1.643 1.00 44.45 H new ATOM 0 HA TYR A 11 4.997 -9.442 0.440 1.00 4.50 H new ATOM 0 HB2 TYR A 11 5.490 -11.652 -0.815 1.00 1.51 H new ATOM 0 HB3 TYR A 11 4.037 -12.261 -0.047 1.00 1.51 H new ATOM 0 HD1 TYR A 11 5.354 -9.778 -2.431 1.00 60.35 H new ATOM 0 HD2 TYR A 11 1.841 -11.535 -0.799 1.00 74.13 H new ATOM 0 HE1 TYR A 11 4.022 -8.768 -4.226 1.00 23.33 H new ATOM 0 HE2 TYR A 11 0.507 -10.526 -2.599 1.00 31.24 H new ATOM 0 HH TYR A 11 0.668 -9.594 -4.716 1.00 51.23 H new ATOM 172 N TYR A 12 2.847 -9.280 1.708 1.00 44.21 N ATOM 173 CA TYR A 12 1.701 -9.093 2.590 1.00 55.34 C ATOM 174 C TYR A 12 0.448 -8.902 1.757 1.00 2.53 C ATOM 175 O TYR A 12 0.436 -8.087 0.826 1.00 5.22 O ATOM 176 CB TYR A 12 1.911 -7.866 3.500 1.00 12.22 C ATOM 177 CG TYR A 12 0.922 -7.741 4.643 1.00 51.12 C ATOM 178 CD1 TYR A 12 1.142 -8.405 5.840 1.00 65.42 C ATOM 179 CD2 TYR A 12 -0.215 -6.953 4.533 1.00 74.21 C ATOM 180 CE1 TYR A 12 0.258 -8.295 6.894 1.00 13.01 C ATOM 181 CE2 TYR A 12 -1.103 -6.838 5.585 1.00 52.11 C ATOM 182 CZ TYR A 12 -0.863 -7.508 6.762 1.00 51.15 C ATOM 183 OH TYR A 12 -1.753 -7.394 7.812 1.00 41.34 O ATOM 0 H TYR A 12 3.027 -8.498 1.078 1.00 44.21 H new ATOM 0 HA TYR A 12 1.594 -9.977 3.218 1.00 55.34 H new ATOM 0 HB2 TYR A 12 2.919 -7.907 3.914 1.00 12.22 H new ATOM 0 HB3 TYR A 12 1.854 -6.965 2.889 1.00 12.22 H new ATOM 0 HD1 TYR A 12 2.023 -9.021 5.950 1.00 65.42 H new ATOM 0 HD2 TYR A 12 -0.408 -6.422 3.612 1.00 74.21 H new ATOM 0 HE1 TYR A 12 0.445 -8.824 7.817 1.00 13.01 H new ATOM 0 HE2 TYR A 12 -1.985 -6.223 5.483 1.00 52.11 H new ATOM 0 HH TYR A 12 -2.489 -6.800 7.554 1.00 41.34 H new ATOM 193 N ILE A 13 -0.574 -9.651 2.070 1.00 52.13 N ATOM 194 CA ILE A 13 -1.845 -9.574 1.388 1.00 73.44 C ATOM 195 C ILE A 13 -2.935 -9.321 2.418 1.00 14.50 C ATOM 196 O ILE A 13 -2.986 -9.996 3.446 1.00 53.44 O ATOM 197 CB ILE A 13 -2.166 -10.916 0.656 1.00 10.42 C ATOM 198 CG1 ILE A 13 -1.027 -11.294 -0.294 1.00 51.45 C ATOM 199 CG2 ILE A 13 -3.486 -10.810 -0.113 1.00 60.32 C ATOM 200 CD1 ILE A 13 -1.181 -12.649 -0.955 1.00 21.03 C ATOM 0 H ILE A 13 -0.551 -10.344 2.818 1.00 52.13 H new ATOM 0 HA ILE A 13 -1.799 -8.770 0.654 1.00 73.44 H new ATOM 0 HB ILE A 13 -2.267 -11.699 1.408 1.00 10.42 H new ATOM 0 HG12 ILE A 13 -0.951 -10.532 -1.070 1.00 51.45 H new ATOM 0 HG13 ILE A 13 -0.089 -11.279 0.261 1.00 51.45 H new ATOM 0 HG21 ILE A 13 -3.691 -11.755 -0.616 1.00 60.32 H new ATOM 0 HG22 ILE A 13 -4.295 -10.586 0.582 1.00 60.32 H new ATOM 0 HG23 ILE A 13 -3.413 -10.014 -0.854 1.00 60.32 H new ATOM 0 HD11 ILE A 13 -0.329 -12.833 -1.610 1.00 21.03 H new ATOM 0 HD12 ILE A 13 -1.225 -13.424 -0.190 1.00 21.03 H new ATOM 0 HD13 ILE A 13 -2.100 -12.666 -1.541 1.00 21.03 H new ATOM 212 N THR A 14 -3.757 -8.336 2.176 1.00 3.01 N ATOM 213 CA THR A 14 -4.891 -8.072 3.017 1.00 32.21 C ATOM 214 C THR A 14 -5.948 -7.349 2.209 1.00 50.03 C ATOM 215 O THR A 14 -5.631 -6.572 1.304 1.00 75.31 O ATOM 216 CB THR A 14 -4.521 -7.227 4.292 1.00 40.41 C ATOM 217 OG1 THR A 14 -5.694 -7.028 5.141 1.00 74.34 O ATOM 218 CG2 THR A 14 -3.968 -5.857 3.899 1.00 20.40 C ATOM 0 H THR A 14 -3.659 -7.694 1.390 1.00 3.01 H new ATOM 0 HA THR A 14 -5.268 -9.031 3.374 1.00 32.21 H new ATOM 0 HB THR A 14 -3.761 -7.784 4.839 1.00 40.41 H new ATOM 0 HG1 THR A 14 -5.541 -6.265 5.736 1.00 74.34 H new ATOM 0 HG21 THR A 14 -3.720 -5.293 4.798 1.00 20.40 H new ATOM 0 HG22 THR A 14 -3.071 -5.987 3.293 1.00 20.40 H new ATOM 0 HG23 THR A 14 -4.718 -5.313 3.325 1.00 20.40 H new ATOM 226 N THR A 15 -7.169 -7.629 2.486 1.00 2.11 N ATOM 227 CA THR A 15 -8.234 -6.925 1.875 1.00 33.34 C ATOM 228 C THR A 15 -8.727 -5.900 2.879 1.00 54.20 C ATOM 229 O THR A 15 -8.778 -6.169 4.083 1.00 4.33 O ATOM 230 CB THR A 15 -9.403 -7.851 1.517 1.00 62.42 C ATOM 231 OG1 THR A 15 -8.917 -9.093 0.968 1.00 42.33 O ATOM 232 CG2 THR A 15 -10.291 -7.194 0.484 1.00 2.32 C ATOM 0 H THR A 15 -7.458 -8.353 3.143 1.00 2.11 H new ATOM 0 HA THR A 15 -7.875 -6.469 0.953 1.00 33.34 H new ATOM 0 HB THR A 15 -9.966 -8.046 2.430 1.00 62.42 H new ATOM 0 HG1 THR A 15 -9.668 -9.605 0.601 1.00 42.33 H new ATOM 0 HG21 THR A 15 -11.117 -7.861 0.238 1.00 2.32 H new ATOM 0 HG22 THR A 15 -10.685 -6.260 0.884 1.00 2.32 H new ATOM 0 HG23 THR A 15 -9.711 -6.987 -0.416 1.00 2.32 H new ATOM 240 N LEU A 16 -9.009 -4.749 2.415 1.00 51.21 N ATOM 241 CA LEU A 16 -9.564 -3.717 3.210 1.00 71.53 C ATOM 242 C LEU A 16 -10.971 -3.522 2.753 1.00 12.44 C ATOM 243 O LEU A 16 -11.203 -3.344 1.561 1.00 45.44 O ATOM 244 CB LEU A 16 -8.785 -2.428 3.016 1.00 65.52 C ATOM 245 CG LEU A 16 -7.334 -2.414 3.515 1.00 13.31 C ATOM 246 CD1 LEU A 16 -6.686 -1.076 3.215 1.00 24.15 C ATOM 247 CD2 LEU A 16 -7.267 -2.709 5.011 1.00 21.22 C ATOM 0 H LEU A 16 -8.858 -4.484 1.442 1.00 51.21 H new ATOM 0 HA LEU A 16 -9.524 -3.983 4.266 1.00 71.53 H new ATOM 0 HB2 LEU A 16 -8.781 -2.191 1.952 1.00 65.52 H new ATOM 0 HB3 LEU A 16 -9.325 -1.626 3.519 1.00 65.52 H new ATOM 0 HG LEU A 16 -6.788 -3.197 2.989 1.00 13.31 H new ATOM 0 HD11 LEU A 16 -5.657 -1.081 3.575 1.00 24.15 H new ATOM 0 HD12 LEU A 16 -6.693 -0.901 2.139 1.00 24.15 H new ATOM 0 HD13 LEU A 16 -7.241 -0.283 3.715 1.00 24.15 H new ATOM 0 HD21 LEU A 16 -6.228 -2.693 5.339 1.00 21.22 H new ATOM 0 HD22 LEU A 16 -7.831 -1.953 5.557 1.00 21.22 H new ATOM 0 HD23 LEU A 16 -7.694 -3.692 5.207 1.00 21.22 H new ATOM 259 N ASN A 17 -11.915 -3.569 3.654 1.00 22.33 N ATOM 260 CA ASN A 17 -13.298 -3.408 3.257 1.00 54.22 C ATOM 261 C ASN A 17 -13.643 -1.939 3.182 1.00 51.34 C ATOM 262 O ASN A 17 -14.308 -1.387 4.060 1.00 3.45 O ATOM 263 CB ASN A 17 -14.276 -4.167 4.171 1.00 22.31 C ATOM 264 CG ASN A 17 -15.716 -4.155 3.643 1.00 41.00 C ATOM 265 OD1 ASN A 17 -16.108 -5.033 2.879 1.00 22.35 O ATOM 266 ND2 ASN A 17 -16.498 -3.183 4.038 1.00 62.20 N ATOM 0 H ASN A 17 -11.762 -3.715 4.652 1.00 22.33 H new ATOM 0 HA ASN A 17 -13.408 -3.853 2.268 1.00 54.22 H new ATOM 0 HB2 ASN A 17 -13.941 -5.199 4.276 1.00 22.31 H new ATOM 0 HB3 ASN A 17 -14.255 -3.722 5.166 1.00 22.31 H new ATOM 0 HD21 ASN A 17 -17.463 -3.140 3.711 1.00 62.20 H new ATOM 0 HD22 ASN A 17 -16.142 -2.469 4.673 1.00 62.20 H new ATOM 273 N TYR A 18 -13.059 -1.298 2.207 1.00 54.15 N ATOM 274 CA TYR A 18 -13.306 0.089 1.904 1.00 1.23 C ATOM 275 C TYR A 18 -13.248 0.223 0.398 1.00 40.51 C ATOM 276 O TYR A 18 -12.631 -0.619 -0.274 1.00 11.23 O ATOM 277 CB TYR A 18 -12.247 1.022 2.536 1.00 71.35 C ATOM 278 CG TYR A 18 -12.051 0.886 4.045 1.00 0.22 C ATOM 279 CD1 TYR A 18 -12.986 1.371 4.958 1.00 30.41 C ATOM 280 CD2 TYR A 18 -10.918 0.280 4.544 1.00 70.45 C ATOM 281 CE1 TYR A 18 -12.781 1.238 6.326 1.00 71.13 C ATOM 282 CE2 TYR A 18 -10.704 0.141 5.897 1.00 44.45 C ATOM 283 CZ TYR A 18 -11.634 0.620 6.786 1.00 71.03 C ATOM 284 OH TYR A 18 -11.419 0.470 8.142 1.00 24.02 O ATOM 0 H TYR A 18 -12.380 -1.735 1.584 1.00 54.15 H new ATOM 0 HA TYR A 18 -14.274 0.382 2.311 1.00 1.23 H new ATOM 0 HB2 TYR A 18 -11.290 0.837 2.047 1.00 71.35 H new ATOM 0 HB3 TYR A 18 -12.523 2.053 2.317 1.00 71.35 H new ATOM 0 HD1 TYR A 18 -13.881 1.856 4.598 1.00 30.41 H new ATOM 0 HD2 TYR A 18 -10.177 -0.096 3.854 1.00 70.45 H new ATOM 0 HE1 TYR A 18 -13.513 1.615 7.025 1.00 71.13 H new ATOM 0 HE2 TYR A 18 -9.808 -0.343 6.257 1.00 44.45 H new ATOM 0 HH TYR A 18 -10.704 -0.183 8.289 1.00 24.02 H new ATOM 294 N ASN A 19 -13.859 1.258 -0.135 1.00 32.33 N ATOM 295 CA ASN A 19 -13.893 1.463 -1.580 1.00 21.24 C ATOM 296 C ASN A 19 -12.536 1.954 -2.072 1.00 42.13 C ATOM 297 O ASN A 19 -11.956 2.858 -1.481 1.00 41.30 O ATOM 298 CB ASN A 19 -14.972 2.479 -1.965 1.00 40.12 C ATOM 299 CG ASN A 19 -15.164 2.579 -3.472 1.00 75.35 C ATOM 300 OD1 ASN A 19 -14.462 3.324 -4.160 1.00 24.22 O ATOM 301 ND2 ASN A 19 -16.127 1.852 -3.993 1.00 54.45 N ATOM 0 H ASN A 19 -14.342 1.976 0.405 1.00 32.33 H new ATOM 0 HA ASN A 19 -14.129 0.508 -2.050 1.00 21.24 H new ATOM 0 HB2 ASN A 19 -15.916 2.196 -1.499 1.00 40.12 H new ATOM 0 HB3 ASN A 19 -14.702 3.458 -1.570 1.00 40.12 H new ATOM 0 HD21 ASN A 19 -16.312 1.894 -4.995 1.00 54.45 H new ATOM 0 HD22 ASN A 19 -16.689 1.246 -3.395 1.00 54.45 H new ATOM 308 N PHE A 20 -12.063 1.376 -3.166 1.00 55.25 N ATOM 309 CA PHE A 20 -10.740 1.673 -3.751 1.00 2.34 C ATOM 310 C PHE A 20 -10.449 3.156 -3.927 1.00 55.21 C ATOM 311 O PHE A 20 -9.316 3.581 -3.728 1.00 72.04 O ATOM 312 CB PHE A 20 -10.593 0.951 -5.095 1.00 62.43 C ATOM 313 CG PHE A 20 -9.345 1.298 -5.888 1.00 41.32 C ATOM 314 CD1 PHE A 20 -8.175 0.595 -5.715 1.00 25.23 C ATOM 315 CD2 PHE A 20 -9.361 2.334 -6.818 1.00 1.22 C ATOM 316 CE1 PHE A 20 -7.054 0.912 -6.441 1.00 74.30 C ATOM 317 CE2 PHE A 20 -8.246 2.652 -7.542 1.00 41.12 C ATOM 318 CZ PHE A 20 -7.093 1.942 -7.353 1.00 23.11 C ATOM 0 H PHE A 20 -12.587 0.675 -3.689 1.00 55.25 H new ATOM 0 HA PHE A 20 -10.006 1.308 -3.032 1.00 2.34 H new ATOM 0 HB2 PHE A 20 -10.600 -0.124 -4.913 1.00 62.43 H new ATOM 0 HB3 PHE A 20 -11.466 1.177 -5.707 1.00 62.43 H new ATOM 0 HD1 PHE A 20 -8.138 -0.214 -5.001 1.00 25.23 H new ATOM 0 HD2 PHE A 20 -10.270 2.896 -6.970 1.00 1.22 H new ATOM 0 HE1 PHE A 20 -6.141 0.353 -6.297 1.00 74.30 H new ATOM 0 HE2 PHE A 20 -8.276 3.459 -8.259 1.00 41.12 H new ATOM 0 HZ PHE A 20 -6.209 2.190 -7.922 1.00 23.11 H new ATOM 328 N ASN A 21 -11.458 3.935 -4.285 1.00 65.42 N ATOM 329 CA ASN A 21 -11.239 5.347 -4.598 1.00 31.13 C ATOM 330 C ASN A 21 -10.666 6.096 -3.390 1.00 64.50 C ATOM 331 O ASN A 21 -9.693 6.837 -3.512 1.00 40.30 O ATOM 332 CB ASN A 21 -12.522 6.032 -5.113 1.00 53.21 C ATOM 333 CG ASN A 21 -13.145 5.364 -6.353 1.00 23.51 C ATOM 334 OD1 ASN A 21 -12.467 4.701 -7.169 1.00 72.13 O ATOM 335 ND2 ASN A 21 -14.437 5.541 -6.514 1.00 33.21 N ATOM 0 H ASN A 21 -12.426 3.623 -4.367 1.00 65.42 H new ATOM 0 HA ASN A 21 -10.506 5.386 -5.404 1.00 31.13 H new ATOM 0 HB2 ASN A 21 -13.261 6.043 -4.311 1.00 53.21 H new ATOM 0 HB3 ASN A 21 -12.294 7.071 -5.351 1.00 53.21 H new ATOM 0 HD21 ASN A 21 -14.911 5.133 -7.320 1.00 33.21 H new ATOM 0 HD22 ASN A 21 -14.966 6.086 -5.833 1.00 33.21 H new ATOM 342 N THR A 22 -11.253 5.875 -2.224 1.00 12.41 N ATOM 343 CA THR A 22 -10.754 6.479 -1.005 1.00 72.12 C ATOM 344 C THR A 22 -9.406 5.833 -0.578 1.00 50.50 C ATOM 345 O THR A 22 -8.487 6.528 -0.117 1.00 32.32 O ATOM 346 CB THR A 22 -11.826 6.512 0.151 1.00 23.22 C ATOM 347 OG1 THR A 22 -11.287 7.086 1.341 1.00 75.13 O ATOM 348 CG2 THR A 22 -12.386 5.138 0.463 1.00 1.20 C ATOM 0 H THR A 22 -12.074 5.282 -2.099 1.00 12.41 H new ATOM 0 HA THR A 22 -10.551 7.528 -1.220 1.00 72.12 H new ATOM 0 HB THR A 22 -12.643 7.135 -0.213 1.00 23.22 H new ATOM 0 HG1 THR A 22 -11.974 7.095 2.040 1.00 75.13 H new ATOM 0 HG21 THR A 22 -13.119 5.218 1.266 1.00 1.20 H new ATOM 0 HG22 THR A 22 -12.865 4.730 -0.427 1.00 1.20 H new ATOM 0 HG23 THR A 22 -11.577 4.478 0.775 1.00 1.20 H new ATOM 356 N VAL A 23 -9.284 4.509 -0.794 1.00 53.23 N ATOM 357 CA VAL A 23 -8.064 3.757 -0.456 1.00 33.12 C ATOM 358 C VAL A 23 -6.858 4.310 -1.216 1.00 40.23 C ATOM 359 O VAL A 23 -5.772 4.455 -0.652 1.00 22.05 O ATOM 360 CB VAL A 23 -8.208 2.233 -0.761 1.00 50.11 C ATOM 361 CG1 VAL A 23 -6.949 1.472 -0.369 1.00 61.44 C ATOM 362 CG2 VAL A 23 -9.408 1.644 -0.048 1.00 44.01 C ATOM 0 H VAL A 23 -10.022 3.937 -1.204 1.00 53.23 H new ATOM 0 HA VAL A 23 -7.910 3.878 0.616 1.00 33.12 H new ATOM 0 HB VAL A 23 -8.356 2.131 -1.836 1.00 50.11 H new ATOM 0 HG11 VAL A 23 -7.079 0.413 -0.593 1.00 61.44 H new ATOM 0 HG12 VAL A 23 -6.099 1.860 -0.931 1.00 61.44 H new ATOM 0 HG13 VAL A 23 -6.766 1.597 0.698 1.00 61.44 H new ATOM 0 HG21 VAL A 23 -9.483 0.581 -0.279 1.00 44.01 H new ATOM 0 HG22 VAL A 23 -9.292 1.774 1.028 1.00 44.01 H new ATOM 0 HG23 VAL A 23 -10.314 2.152 -0.379 1.00 44.01 H new ATOM 372 N TYR A 24 -7.068 4.641 -2.491 1.00 64.35 N ATOM 373 CA TYR A 24 -6.024 5.208 -3.333 1.00 70.00 C ATOM 374 C TYR A 24 -5.444 6.461 -2.696 1.00 4.21 C ATOM 375 O TYR A 24 -4.225 6.610 -2.602 1.00 41.30 O ATOM 376 CB TYR A 24 -6.563 5.518 -4.749 1.00 65.14 C ATOM 377 CG TYR A 24 -5.579 6.265 -5.642 1.00 54.31 C ATOM 378 CD1 TYR A 24 -4.545 5.601 -6.284 1.00 33.02 C ATOM 379 CD2 TYR A 24 -5.685 7.641 -5.828 1.00 1.51 C ATOM 380 CE1 TYR A 24 -3.643 6.280 -7.079 1.00 62.45 C ATOM 381 CE2 TYR A 24 -4.790 8.325 -6.624 1.00 24.11 C ATOM 382 CZ TYR A 24 -3.769 7.640 -7.247 1.00 55.00 C ATOM 383 OH TYR A 24 -2.869 8.321 -8.033 1.00 32.12 O ATOM 0 H TYR A 24 -7.964 4.523 -2.964 1.00 64.35 H new ATOM 0 HA TYR A 24 -5.228 4.469 -3.428 1.00 70.00 H new ATOM 0 HB2 TYR A 24 -6.838 4.581 -5.234 1.00 65.14 H new ATOM 0 HB3 TYR A 24 -7.474 6.109 -4.657 1.00 65.14 H new ATOM 0 HD1 TYR A 24 -4.443 4.533 -6.160 1.00 33.02 H new ATOM 0 HD2 TYR A 24 -6.482 8.182 -5.340 1.00 1.51 H new ATOM 0 HE1 TYR A 24 -2.841 5.746 -7.567 1.00 62.45 H new ATOM 0 HE2 TYR A 24 -4.889 9.392 -6.758 1.00 24.11 H new ATOM 0 HH TYR A 24 -3.101 9.273 -8.047 1.00 32.12 H new ATOM 393 N ASN A 25 -6.327 7.319 -2.223 1.00 1.04 N ATOM 394 CA ASN A 25 -5.943 8.572 -1.586 1.00 24.33 C ATOM 395 C ASN A 25 -5.153 8.300 -0.333 1.00 15.14 C ATOM 396 O ASN A 25 -4.049 8.808 -0.151 1.00 34.23 O ATOM 397 CB ASN A 25 -7.200 9.364 -1.220 1.00 3.42 C ATOM 398 CG ASN A 25 -6.903 10.668 -0.480 1.00 34.55 C ATOM 399 OD1 ASN A 25 -6.649 11.699 -1.089 1.00 23.30 O ATOM 400 ND2 ASN A 25 -6.988 10.636 0.836 1.00 35.52 N ATOM 0 H ASN A 25 -7.335 7.170 -2.268 1.00 1.04 H new ATOM 0 HA ASN A 25 -5.329 9.145 -2.281 1.00 24.33 H new ATOM 0 HB2 ASN A 25 -7.756 9.590 -2.130 1.00 3.42 H new ATOM 0 HB3 ASN A 25 -7.845 8.742 -0.599 1.00 3.42 H new ATOM 0 HD21 ASN A 25 -6.840 11.488 1.377 1.00 35.52 H new ATOM 0 HD22 ASN A 25 -7.201 9.760 1.312 1.00 35.52 H new ATOM 407 N ALA A 26 -5.706 7.443 0.482 1.00 22.52 N ATOM 408 CA ALA A 26 -5.136 7.104 1.779 1.00 13.52 C ATOM 409 C ALA A 26 -3.730 6.496 1.670 1.00 61.52 C ATOM 410 O ALA A 26 -2.812 6.921 2.378 1.00 30.05 O ATOM 411 CB ALA A 26 -6.070 6.167 2.515 1.00 24.21 C ATOM 0 H ALA A 26 -6.574 6.950 0.272 1.00 22.52 H new ATOM 0 HA ALA A 26 -5.026 8.031 2.342 1.00 13.52 H new ATOM 0 HB1 ALA A 26 -5.642 5.914 3.485 1.00 24.21 H new ATOM 0 HB2 ALA A 26 -7.034 6.654 2.660 1.00 24.21 H new ATOM 0 HB3 ALA A 26 -6.207 5.257 1.931 1.00 24.21 H new ATOM 417 N THR A 27 -3.561 5.544 0.772 1.00 45.23 N ATOM 418 CA THR A 27 -2.278 4.889 0.566 1.00 13.22 C ATOM 419 C THR A 27 -1.246 5.867 -0.010 1.00 20.11 C ATOM 420 O THR A 27 -0.092 5.927 0.453 1.00 30.14 O ATOM 421 CB THR A 27 -2.441 3.695 -0.387 1.00 33.54 C ATOM 422 OG1 THR A 27 -3.487 2.842 0.099 1.00 12.34 O ATOM 423 CG2 THR A 27 -1.148 2.898 -0.495 1.00 54.33 C ATOM 0 H THR A 27 -4.306 5.202 0.165 1.00 45.23 H new ATOM 0 HA THR A 27 -1.921 4.537 1.534 1.00 13.22 H new ATOM 0 HB THR A 27 -2.693 4.075 -1.377 1.00 33.54 H new ATOM 0 HG1 THR A 27 -3.877 2.344 -0.649 1.00 12.34 H new ATOM 0 HG21 THR A 27 -1.293 2.059 -1.176 1.00 54.33 H new ATOM 0 HG22 THR A 27 -0.355 3.541 -0.876 1.00 54.33 H new ATOM 0 HG23 THR A 27 -0.869 2.522 0.489 1.00 54.33 H new ATOM 431 N LEU A 28 -1.678 6.647 -0.994 1.00 32.15 N ATOM 432 CA LEU A 28 -0.827 7.620 -1.646 1.00 52.24 C ATOM 433 C LEU A 28 -0.316 8.640 -0.635 1.00 0.44 C ATOM 434 O LEU A 28 0.890 8.866 -0.529 1.00 20.22 O ATOM 435 CB LEU A 28 -1.599 8.301 -2.790 1.00 34.25 C ATOM 436 CG LEU A 28 -0.913 9.461 -3.518 1.00 44.40 C ATOM 437 CD1 LEU A 28 0.320 8.988 -4.266 1.00 21.21 C ATOM 438 CD2 LEU A 28 -1.886 10.145 -4.465 1.00 61.23 C ATOM 0 H LEU A 28 -2.630 6.618 -1.359 1.00 32.15 H new ATOM 0 HA LEU A 28 0.040 7.115 -2.072 1.00 52.24 H new ATOM 0 HB2 LEU A 28 -1.845 7.539 -3.530 1.00 34.25 H new ATOM 0 HB3 LEU A 28 -2.542 8.669 -2.386 1.00 34.25 H new ATOM 0 HG LEU A 28 -0.591 10.185 -2.769 1.00 44.40 H new ATOM 0 HD11 LEU A 28 0.785 9.834 -4.773 1.00 21.21 H new ATOM 0 HD12 LEU A 28 1.029 8.553 -3.561 1.00 21.21 H new ATOM 0 HD13 LEU A 28 0.033 8.237 -5.002 1.00 21.21 H new ATOM 0 HD21 LEU A 28 -1.382 10.967 -4.974 1.00 61.23 H new ATOM 0 HD22 LEU A 28 -2.242 9.426 -5.202 1.00 61.23 H new ATOM 0 HD23 LEU A 28 -2.732 10.534 -3.899 1.00 61.23 H new ATOM 450 N GLN A 29 -1.227 9.201 0.147 1.00 41.32 N ATOM 451 CA GLN A 29 -0.871 10.187 1.159 1.00 70.43 C ATOM 452 C GLN A 29 0.035 9.592 2.227 1.00 21.23 C ATOM 453 O GLN A 29 0.964 10.248 2.687 1.00 14.02 O ATOM 454 CB GLN A 29 -2.112 10.797 1.812 1.00 34.51 C ATOM 455 CG GLN A 29 -2.985 11.595 0.860 1.00 63.45 C ATOM 456 CD GLN A 29 -4.164 12.249 1.554 1.00 43.34 C ATOM 457 OE1 GLN A 29 -4.690 11.742 2.544 1.00 53.32 O ATOM 458 NE2 GLN A 29 -4.591 13.374 1.045 1.00 31.04 N ATOM 0 H GLN A 29 -2.224 8.989 0.100 1.00 41.32 H new ATOM 0 HA GLN A 29 -0.326 10.979 0.645 1.00 70.43 H new ATOM 0 HB2 GLN A 29 -2.709 9.997 2.251 1.00 34.51 H new ATOM 0 HB3 GLN A 29 -1.797 11.446 2.630 1.00 34.51 H new ATOM 0 HG2 GLN A 29 -2.381 12.363 0.378 1.00 63.45 H new ATOM 0 HG3 GLN A 29 -3.352 10.937 0.072 1.00 63.45 H new ATOM 0 HE21 GLN A 29 -4.133 13.768 0.223 1.00 31.04 H new ATOM 0 HE22 GLN A 29 -5.382 13.858 1.469 1.00 31.04 H new ATOM 467 N ALA A 30 -0.202 8.337 2.576 1.00 31.34 N ATOM 468 CA ALA A 30 0.565 7.671 3.618 1.00 51.22 C ATOM 469 C ALA A 30 2.062 7.651 3.309 1.00 61.34 C ATOM 470 O ALA A 30 2.886 7.997 4.163 1.00 75.15 O ATOM 471 CB ALA A 30 0.052 6.258 3.843 1.00 1.20 C ATOM 0 H ALA A 30 -0.924 7.756 2.150 1.00 31.34 H new ATOM 0 HA ALA A 30 0.429 8.247 4.533 1.00 51.22 H new ATOM 0 HB1 ALA A 30 0.639 5.778 4.626 1.00 1.20 H new ATOM 0 HB2 ALA A 30 -0.995 6.295 4.145 1.00 1.20 H new ATOM 0 HB3 ALA A 30 0.143 5.686 2.919 1.00 1.20 H new ATOM 477 N ILE A 31 2.417 7.275 2.100 1.00 12.42 N ATOM 478 CA ILE A 31 3.818 7.225 1.749 1.00 25.42 C ATOM 479 C ILE A 31 4.343 8.580 1.241 1.00 20.11 C ATOM 480 O ILE A 31 5.364 9.071 1.703 1.00 33.22 O ATOM 481 CB ILE A 31 4.137 6.080 0.723 1.00 22.14 C ATOM 482 CG1 ILE A 31 5.627 6.108 0.330 1.00 2.12 C ATOM 483 CG2 ILE A 31 3.229 6.144 -0.511 1.00 74.12 C ATOM 484 CD1 ILE A 31 6.034 5.060 -0.677 1.00 72.14 C ATOM 0 H ILE A 31 1.771 7.005 1.358 1.00 12.42 H new ATOM 0 HA ILE A 31 4.348 6.993 2.673 1.00 25.42 H new ATOM 0 HB ILE A 31 3.930 5.129 1.213 1.00 22.14 H new ATOM 0 HG12 ILE A 31 5.863 7.092 -0.075 1.00 2.12 H new ATOM 0 HG13 ILE A 31 6.228 5.980 1.230 1.00 2.12 H new ATOM 0 HG21 ILE A 31 3.485 5.334 -1.193 1.00 74.12 H new ATOM 0 HG22 ILE A 31 2.188 6.044 -0.203 1.00 74.12 H new ATOM 0 HG23 ILE A 31 3.367 7.100 -1.015 1.00 74.12 H new ATOM 0 HD11 ILE A 31 7.098 5.156 -0.893 1.00 72.14 H new ATOM 0 HD12 ILE A 31 5.834 4.068 -0.271 1.00 72.14 H new ATOM 0 HD13 ILE A 31 5.464 5.197 -1.596 1.00 72.14 H new ATOM 496 N GLN A 32 3.581 9.211 0.371 1.00 3.03 N ATOM 497 CA GLN A 32 4.013 10.414 -0.322 1.00 45.41 C ATOM 498 C GLN A 32 4.014 11.657 0.568 1.00 33.24 C ATOM 499 O GLN A 32 4.768 12.586 0.347 1.00 73.13 O ATOM 500 CB GLN A 32 3.178 10.591 -1.604 1.00 33.05 C ATOM 501 CG GLN A 32 3.489 11.808 -2.463 1.00 71.31 C ATOM 502 CD GLN A 32 4.958 11.934 -2.888 1.00 13.54 C ATOM 503 OE1 GLN A 32 5.670 10.832 -2.994 1.00 43.12 O flip ATOM 504 NE2 GLN A 32 5.440 13.024 -3.100 1.00 1.41 N flip ATOM 0 H GLN A 32 2.640 8.905 0.122 1.00 3.03 H new ATOM 0 HA GLN A 32 5.058 10.289 -0.604 1.00 45.41 H new ATOM 0 HB2 GLN A 32 3.306 9.700 -2.218 1.00 33.05 H new ATOM 0 HB3 GLN A 32 2.126 10.635 -1.321 1.00 33.05 H new ATOM 0 HG2 GLN A 32 2.868 11.773 -3.358 1.00 71.31 H new ATOM 0 HG3 GLN A 32 3.206 12.706 -1.914 1.00 71.31 H new ATOM 0 HE21 GLN A 32 4.865 13.862 -3.011 1.00 1.41 H new ATOM 0 HE22 GLN A 32 6.421 13.105 -3.368 1.00 1.41 H new ATOM 513 N ASN A 33 3.186 11.674 1.576 1.00 13.44 N ATOM 514 CA ASN A 33 3.148 12.827 2.470 1.00 55.04 C ATOM 515 C ASN A 33 3.933 12.553 3.728 1.00 73.44 C ATOM 516 O ASN A 33 3.821 13.277 4.715 1.00 52.13 O ATOM 517 CB ASN A 33 1.715 13.251 2.794 1.00 63.42 C ATOM 518 CG ASN A 33 0.939 13.762 1.577 1.00 51.11 C ATOM 519 OD1 ASN A 33 1.627 14.344 0.612 1.00 24.14 O flip ATOM 520 ND2 ASN A 33 -0.274 13.631 1.502 1.00 15.12 N flip ATOM 0 H ASN A 33 2.535 10.924 1.807 1.00 13.44 H new ATOM 0 HA ASN A 33 3.617 13.661 1.949 1.00 55.04 H new ATOM 0 HB2 ASN A 33 1.182 12.403 3.225 1.00 63.42 H new ATOM 0 HB3 ASN A 33 1.739 14.032 3.554 1.00 63.42 H new ATOM 0 HD21 ASN A 33 -0.786 13.178 2.259 1.00 15.12 H new ATOM 0 HD22 ASN A 33 -0.774 13.974 0.682 1.00 15.12 H new ATOM 527 N GLY A 34 4.721 11.493 3.675 1.00 3.04 N ATOM 528 CA GLY A 34 5.615 11.135 4.759 1.00 75.32 C ATOM 529 C GLY A 34 4.899 10.816 6.044 1.00 24.32 C ATOM 530 O GLY A 34 5.325 11.232 7.111 1.00 20.03 O ATOM 0 H GLY A 34 4.758 10.857 2.878 1.00 3.04 H new ATOM 0 HA2 GLY A 34 6.210 10.272 4.459 1.00 75.32 H new ATOM 0 HA3 GLY A 34 6.310 11.956 4.933 1.00 75.32 H new ATOM 534 N GLN A 35 3.810 10.081 5.947 1.00 10.42 N ATOM 535 CA GLN A 35 3.059 9.704 7.131 1.00 71.20 C ATOM 536 C GLN A 35 3.708 8.476 7.740 1.00 63.01 C ATOM 537 O GLN A 35 3.619 8.226 8.937 1.00 51.14 O ATOM 538 CB GLN A 35 1.596 9.429 6.784 1.00 14.44 C ATOM 539 CG GLN A 35 0.873 10.606 6.127 1.00 62.01 C ATOM 540 CD GLN A 35 0.817 11.842 7.011 1.00 54.05 C ATOM 541 OE1 GLN A 35 -0.109 12.012 7.789 1.00 3.14 O ATOM 542 NE2 GLN A 35 1.787 12.717 6.884 1.00 32.34 N ATOM 0 H GLN A 35 3.426 9.734 5.068 1.00 10.42 H new ATOM 0 HA GLN A 35 3.072 10.523 7.850 1.00 71.20 H new ATOM 0 HB2 GLN A 35 1.549 8.570 6.115 1.00 14.44 H new ATOM 0 HB3 GLN A 35 1.064 9.154 7.695 1.00 14.44 H new ATOM 0 HG2 GLN A 35 1.376 10.857 5.193 1.00 62.01 H new ATOM 0 HG3 GLN A 35 -0.142 10.304 5.871 1.00 62.01 H new ATOM 0 HE21 GLN A 35 2.546 12.545 6.225 1.00 32.34 H new ATOM 0 HE22 GLN A 35 1.782 13.569 7.445 1.00 32.34 H new ATOM 551 N THR A 36 4.352 7.710 6.899 1.00 62.23 N ATOM 552 CA THR A 36 5.111 6.599 7.333 1.00 10.43 C ATOM 553 C THR A 36 6.497 6.698 6.698 1.00 45.40 C ATOM 554 O THR A 36 6.631 6.935 5.487 1.00 75.54 O ATOM 555 CB THR A 36 4.399 5.234 7.007 1.00 24.51 C ATOM 556 OG1 THR A 36 5.157 4.125 7.510 1.00 73.34 O ATOM 557 CG2 THR A 36 4.149 5.049 5.509 1.00 1.24 C ATOM 0 H THR A 36 4.356 7.852 5.889 1.00 62.23 H new ATOM 0 HA THR A 36 5.207 6.619 8.419 1.00 10.43 H new ATOM 0 HB THR A 36 3.431 5.266 7.506 1.00 24.51 H new ATOM 0 HG1 THR A 36 4.693 3.288 7.297 1.00 73.34 H new ATOM 0 HG21 THR A 36 3.656 4.092 5.338 1.00 1.24 H new ATOM 0 HG22 THR A 36 3.513 5.855 5.144 1.00 1.24 H new ATOM 0 HG23 THR A 36 5.100 5.068 4.976 1.00 1.24 H new ATOM 565 N PHE A 37 7.508 6.599 7.515 1.00 42.33 N ATOM 566 CA PHE A 37 8.868 6.683 7.062 1.00 63.15 C ATOM 567 C PHE A 37 9.639 5.469 7.521 1.00 35.53 C ATOM 568 O PHE A 37 9.216 4.776 8.453 1.00 72.03 O ATOM 569 CB PHE A 37 9.549 7.994 7.529 1.00 1.53 C ATOM 570 CG PHE A 37 9.640 8.179 9.031 1.00 42.14 C ATOM 571 CD1 PHE A 37 8.596 8.755 9.739 1.00 65.35 C ATOM 572 CD2 PHE A 37 10.777 7.785 9.725 1.00 1.21 C ATOM 573 CE1 PHE A 37 8.682 8.930 11.106 1.00 75.11 C ATOM 574 CE2 PHE A 37 10.867 7.960 11.092 1.00 62.44 C ATOM 575 CZ PHE A 37 9.818 8.532 11.785 1.00 72.55 C ATOM 0 H PHE A 37 7.411 6.457 8.520 1.00 42.33 H new ATOM 0 HA PHE A 37 8.864 6.703 5.972 1.00 63.15 H new ATOM 0 HB2 PHE A 37 10.556 8.028 7.114 1.00 1.53 H new ATOM 0 HB3 PHE A 37 9.002 8.838 7.108 1.00 1.53 H new ATOM 0 HD1 PHE A 37 7.706 9.070 9.215 1.00 65.35 H new ATOM 0 HD2 PHE A 37 11.600 7.336 9.189 1.00 1.21 H new ATOM 0 HE1 PHE A 37 7.861 9.378 11.645 1.00 75.11 H new ATOM 0 HE2 PHE A 37 11.757 7.650 11.619 1.00 62.44 H new ATOM 0 HZ PHE A 37 9.885 8.668 12.854 1.00 72.55 H new ATOM 585 N ASP A 38 10.732 5.201 6.869 1.00 43.32 N ATOM 586 CA ASP A 38 11.598 4.097 7.230 1.00 4.03 C ATOM 587 C ASP A 38 12.770 4.676 8.010 1.00 60.05 C ATOM 588 O ASP A 38 13.130 5.839 7.807 1.00 60.24 O ATOM 589 CB ASP A 38 12.101 3.391 5.963 1.00 33.15 C ATOM 590 CG ASP A 38 12.925 2.132 6.223 1.00 71.21 C ATOM 591 OD1 ASP A 38 14.018 2.219 6.796 1.00 20.00 O ATOM 592 OD2 ASP A 38 12.521 1.054 5.797 1.00 11.11 O ATOM 0 H ASP A 38 11.057 5.740 6.066 1.00 43.32 H new ATOM 0 HA ASP A 38 11.062 3.365 7.833 1.00 4.03 H new ATOM 0 HB2 ASP A 38 11.243 3.127 5.345 1.00 33.15 H new ATOM 0 HB3 ASP A 38 12.705 4.092 5.387 1.00 33.15 H new ATOM 597 N TYR A 39 13.372 3.880 8.860 1.00 23.02 N ATOM 598 CA TYR A 39 14.465 4.323 9.711 1.00 0.10 C ATOM 599 C TYR A 39 15.727 4.626 8.896 1.00 2.22 C ATOM 600 O TYR A 39 16.530 5.470 9.287 1.00 25.33 O ATOM 601 CB TYR A 39 14.741 3.281 10.815 1.00 73.35 C ATOM 602 CG TYR A 39 15.848 3.659 11.786 1.00 23.33 C ATOM 603 CD1 TYR A 39 15.623 4.580 12.801 1.00 1.44 C ATOM 604 CD2 TYR A 39 17.118 3.098 11.680 1.00 14.31 C ATOM 605 CE1 TYR A 39 16.627 4.931 13.683 1.00 51.01 C ATOM 606 CE2 TYR A 39 18.126 3.445 12.558 1.00 73.12 C ATOM 607 CZ TYR A 39 17.876 4.360 13.556 1.00 51.53 C ATOM 608 OH TYR A 39 18.879 4.709 14.431 1.00 31.23 O ATOM 0 H TYR A 39 13.121 2.900 8.986 1.00 23.02 H new ATOM 0 HA TYR A 39 14.166 5.256 10.190 1.00 0.10 H new ATOM 0 HB2 TYR A 39 13.823 3.118 11.379 1.00 73.35 H new ATOM 0 HB3 TYR A 39 14.999 2.333 10.344 1.00 73.35 H new ATOM 0 HD1 TYR A 39 14.646 5.030 12.903 1.00 1.44 H new ATOM 0 HD2 TYR A 39 17.318 2.380 10.899 1.00 14.31 H new ATOM 0 HE1 TYR A 39 16.435 5.648 14.467 1.00 51.01 H new ATOM 0 HE2 TYR A 39 19.106 3.001 12.462 1.00 73.12 H new ATOM 0 HH TYR A 39 19.696 4.217 14.206 1.00 31.23 H new ATOM 618 N LYS A 40 15.887 3.985 7.746 1.00 52.32 N ATOM 619 CA LYS A 40 17.069 4.250 6.932 1.00 74.13 C ATOM 620 C LYS A 40 16.826 5.432 6.004 1.00 73.12 C ATOM 621 O LYS A 40 17.677 5.766 5.191 1.00 21.41 O ATOM 622 CB LYS A 40 17.509 3.009 6.131 1.00 13.14 C ATOM 623 CG LYS A 40 16.469 2.483 5.159 1.00 40.23 C ATOM 624 CD LYS A 40 16.964 1.263 4.419 1.00 75.32 C ATOM 625 CE LYS A 40 15.861 0.633 3.577 1.00 62.41 C ATOM 626 NZ LYS A 40 14.706 0.155 4.395 1.00 43.43 N ATOM 0 H LYS A 40 15.237 3.299 7.363 1.00 52.32 H new ATOM 0 HA LYS A 40 17.883 4.500 7.612 1.00 74.13 H new ATOM 0 HB2 LYS A 40 18.415 3.253 5.576 1.00 13.14 H new ATOM 0 HB3 LYS A 40 17.768 2.214 6.831 1.00 13.14 H new ATOM 0 HG2 LYS A 40 15.557 2.235 5.701 1.00 40.23 H new ATOM 0 HG3 LYS A 40 16.212 3.264 4.443 1.00 40.23 H new ATOM 0 HD2 LYS A 40 17.800 1.540 3.777 1.00 75.32 H new ATOM 0 HD3 LYS A 40 17.340 0.531 5.133 1.00 75.32 H new ATOM 0 HE2 LYS A 40 15.506 1.362 2.848 1.00 62.41 H new ATOM 0 HE3 LYS A 40 16.273 -0.205 3.015 1.00 62.41 H new ATOM 0 HZ1 LYS A 40 14.273 -0.671 3.935 1.00 43.43 H new ATOM 0 HZ2 LYS A 40 15.039 -0.112 5.343 1.00 43.43 H new ATOM 0 HZ3 LYS A 40 14.001 0.915 4.477 1.00 43.43 H new ATOM 640 N SER A 41 15.650 6.069 6.171 1.00 13.31 N ATOM 641 CA SER A 41 15.269 7.282 5.448 1.00 30.33 C ATOM 642 C SER A 41 15.385 7.122 3.910 1.00 22.53 C ATOM 643 O SER A 41 15.643 8.083 3.188 1.00 15.44 O ATOM 644 CB SER A 41 16.122 8.436 5.974 1.00 74.43 C ATOM 645 OG SER A 41 15.941 8.577 7.381 1.00 44.52 O ATOM 0 H SER A 41 14.934 5.745 6.822 1.00 13.31 H new ATOM 0 HA SER A 41 14.215 7.491 5.629 1.00 30.33 H new ATOM 0 HB2 SER A 41 17.173 8.253 5.751 1.00 74.43 H new ATOM 0 HB3 SER A 41 15.846 9.362 5.469 1.00 74.43 H new ATOM 0 HG SER A 41 16.493 9.318 7.709 1.00 44.52 H new ATOM 651 N ASN A 42 15.120 5.913 3.436 1.00 12.43 N ATOM 652 CA ASN A 42 15.195 5.600 2.016 1.00 35.15 C ATOM 653 C ASN A 42 14.005 6.198 1.269 1.00 33.11 C ATOM 654 O ASN A 42 12.925 6.348 1.858 1.00 35.13 O ATOM 655 CB ASN A 42 15.277 4.086 1.745 1.00 70.54 C ATOM 656 CG ASN A 42 14.061 3.298 2.196 1.00 65.15 C ATOM 657 OD1 ASN A 42 13.442 3.595 3.199 1.00 2.42 O ATOM 658 ND2 ASN A 42 13.713 2.316 1.442 1.00 63.41 N ATOM 0 H ASN A 42 14.848 5.124 4.022 1.00 12.43 H new ATOM 0 HA ASN A 42 16.118 6.047 1.648 1.00 35.15 H new ATOM 0 HB2 ASN A 42 15.420 3.929 0.676 1.00 70.54 H new ATOM 0 HB3 ASN A 42 16.159 3.687 2.247 1.00 70.54 H new ATOM 0 HD21 ASN A 42 12.893 1.757 1.678 1.00 63.41 H new ATOM 0 HD22 ASN A 42 14.257 2.096 0.608 1.00 63.41 H new ATOM 665 N PRO A 43 14.223 6.612 -0.010 1.00 52.03 N ATOM 666 CA PRO A 43 13.207 7.219 -0.884 1.00 4.45 C ATOM 667 C PRO A 43 11.761 6.714 -0.697 1.00 72.44 C ATOM 668 O PRO A 43 11.418 5.535 -0.946 1.00 22.31 O ATOM 669 CB PRO A 43 13.719 6.885 -2.272 1.00 41.14 C ATOM 670 CG PRO A 43 15.200 6.956 -2.141 1.00 13.40 C ATOM 671 CD PRO A 43 15.529 6.541 -0.723 1.00 21.51 C ATOM 0 HA PRO A 43 13.106 8.282 -0.663 1.00 4.45 H new ATOM 0 HB2 PRO A 43 13.394 5.894 -2.589 1.00 41.14 H new ATOM 0 HB3 PRO A 43 13.350 7.593 -3.014 1.00 41.14 H new ATOM 0 HG2 PRO A 43 15.685 6.296 -2.860 1.00 13.40 H new ATOM 0 HG3 PRO A 43 15.559 7.965 -2.343 1.00 13.40 H new ATOM 0 HD2 PRO A 43 15.947 5.535 -0.689 1.00 21.51 H new ATOM 0 HD3 PRO A 43 16.265 7.207 -0.273 1.00 21.51 H new ATOM 679 N TYR A 44 10.939 7.630 -0.261 1.00 41.21 N ATOM 680 CA TYR A 44 9.503 7.450 -0.072 1.00 62.11 C ATOM 681 C TYR A 44 8.824 7.997 -1.310 1.00 55.43 C ATOM 682 O TYR A 44 7.603 7.924 -1.500 1.00 63.43 O ATOM 683 CB TYR A 44 9.019 8.210 1.179 1.00 22.10 C ATOM 684 CG TYR A 44 9.238 9.720 1.116 1.00 33.21 C ATOM 685 CD1 TYR A 44 10.489 10.274 1.364 1.00 35.24 C ATOM 686 CD2 TYR A 44 8.194 10.584 0.794 1.00 3.10 C ATOM 687 CE1 TYR A 44 10.696 11.633 1.289 1.00 62.10 C ATOM 688 CE2 TYR A 44 8.395 11.946 0.721 1.00 12.23 C ATOM 689 CZ TYR A 44 9.647 12.464 0.965 1.00 4.01 C ATOM 690 OH TYR A 44 9.857 13.817 0.887 1.00 42.11 O ATOM 0 H TYR A 44 11.254 8.568 -0.013 1.00 41.21 H new ATOM 0 HA TYR A 44 9.264 6.397 0.074 1.00 62.11 H new ATOM 0 HB2 TYR A 44 7.956 8.014 1.321 1.00 22.10 H new ATOM 0 HB3 TYR A 44 9.536 7.815 2.053 1.00 22.10 H new ATOM 0 HD1 TYR A 44 11.314 9.626 1.620 1.00 35.24 H new ATOM 0 HD2 TYR A 44 7.211 10.181 0.598 1.00 3.10 H new ATOM 0 HE1 TYR A 44 11.675 12.045 1.483 1.00 62.10 H new ATOM 0 HE2 TYR A 44 7.574 12.603 0.474 1.00 12.23 H new ATOM 0 HH TYR A 44 9.019 14.265 0.647 1.00 42.11 H new ATOM 700 N ASP A 45 9.652 8.540 -2.137 1.00 42.34 N ATOM 701 CA ASP A 45 9.291 9.236 -3.308 1.00 4.34 C ATOM 702 C ASP A 45 8.980 8.205 -4.340 1.00 31.02 C ATOM 703 O ASP A 45 9.841 7.413 -4.754 1.00 53.10 O ATOM 704 CB ASP A 45 10.496 10.071 -3.766 1.00 22.55 C ATOM 705 CG ASP A 45 11.164 10.804 -2.611 1.00 61.24 C ATOM 706 OD1 ASP A 45 11.882 10.122 -1.812 1.00 2.14 O ATOM 707 OD2 ASP A 45 10.958 12.012 -2.465 1.00 31.25 O ATOM 0 H ASP A 45 10.662 8.502 -1.997 1.00 42.34 H new ATOM 0 HA ASP A 45 8.437 9.894 -3.145 1.00 4.34 H new ATOM 0 HB2 ASP A 45 11.224 9.419 -4.249 1.00 22.55 H new ATOM 0 HB3 ASP A 45 10.171 10.795 -4.513 1.00 22.55 H new ATOM 712 N ILE A 46 7.734 8.187 -4.717 1.00 24.44 N ATOM 713 CA ILE A 46 7.200 7.214 -5.619 1.00 10.34 C ATOM 714 C ILE A 46 7.842 7.390 -6.969 1.00 42.31 C ATOM 715 O ILE A 46 7.703 8.426 -7.606 1.00 42.21 O ATOM 716 CB ILE A 46 5.667 7.373 -5.708 1.00 22.12 C ATOM 717 CG1 ILE A 46 5.072 7.220 -4.298 1.00 43.11 C ATOM 718 CG2 ILE A 46 5.068 6.344 -6.666 1.00 50.11 C ATOM 719 CD1 ILE A 46 3.597 7.496 -4.211 1.00 73.44 C ATOM 0 H ILE A 46 7.045 8.867 -4.396 1.00 24.44 H new ATOM 0 HA ILE A 46 7.416 6.209 -5.257 1.00 10.34 H new ATOM 0 HB ILE A 46 5.425 8.361 -6.100 1.00 22.12 H new ATOM 0 HG12 ILE A 46 5.260 6.206 -3.946 1.00 43.11 H new ATOM 0 HG13 ILE A 46 5.596 7.895 -3.621 1.00 43.11 H new ATOM 0 HG21 ILE A 46 3.987 6.476 -6.712 1.00 50.11 H new ATOM 0 HG22 ILE A 46 5.493 6.482 -7.660 1.00 50.11 H new ATOM 0 HG23 ILE A 46 5.296 5.339 -6.310 1.00 50.11 H new ATOM 0 HD11 ILE A 46 3.262 7.365 -3.182 1.00 73.44 H new ATOM 0 HD12 ILE A 46 3.399 8.520 -4.529 1.00 73.44 H new ATOM 0 HD13 ILE A 46 3.059 6.804 -4.859 1.00 73.44 H new ATOM 731 N SER A 47 8.526 6.372 -7.391 1.00 65.34 N ATOM 732 CA SER A 47 9.310 6.434 -8.570 1.00 64.25 C ATOM 733 C SER A 47 8.482 5.951 -9.754 1.00 23.34 C ATOM 734 O SER A 47 8.674 6.401 -10.877 1.00 4.43 O ATOM 735 CB SER A 47 10.520 5.529 -8.357 1.00 12.35 C ATOM 736 OG SER A 47 11.072 5.742 -7.048 1.00 35.02 O ATOM 0 H SER A 47 8.551 5.469 -6.917 1.00 65.34 H new ATOM 0 HA SER A 47 9.635 7.454 -8.778 1.00 64.25 H new ATOM 0 HB2 SER A 47 10.228 4.485 -8.471 1.00 12.35 H new ATOM 0 HB3 SER A 47 11.275 5.734 -9.116 1.00 12.35 H new ATOM 0 HG SER A 47 11.997 5.419 -7.026 1.00 35.02 H new ATOM 742 N VAL A 48 7.531 5.050 -9.498 1.00 11.20 N ATOM 743 CA VAL A 48 6.626 4.625 -10.545 1.00 11.03 C ATOM 744 C VAL A 48 5.236 4.480 -9.943 1.00 31.43 C ATOM 745 O VAL A 48 5.073 3.850 -8.896 1.00 53.22 O ATOM 746 CB VAL A 48 7.017 3.220 -11.117 1.00 25.14 C ATOM 747 CG1 VAL A 48 6.176 2.880 -12.336 1.00 43.34 C ATOM 748 CG2 VAL A 48 8.504 3.107 -11.448 1.00 51.35 C ATOM 0 H VAL A 48 7.376 4.613 -8.590 1.00 11.20 H new ATOM 0 HA VAL A 48 6.667 5.365 -11.344 1.00 11.03 H new ATOM 0 HB VAL A 48 6.811 2.497 -10.328 1.00 25.14 H new ATOM 0 HG11 VAL A 48 6.465 1.900 -12.716 1.00 43.34 H new ATOM 0 HG12 VAL A 48 5.122 2.865 -12.058 1.00 43.34 H new ATOM 0 HG13 VAL A 48 6.337 3.631 -13.110 1.00 43.34 H new ATOM 0 HG21 VAL A 48 8.715 2.112 -11.840 1.00 51.35 H new ATOM 0 HG22 VAL A 48 8.768 3.855 -12.195 1.00 51.35 H new ATOM 0 HG23 VAL A 48 9.091 3.273 -10.545 1.00 51.35 H new ATOM 758 N ASN A 49 4.263 5.075 -10.567 1.00 52.34 N ATOM 759 CA ASN A 49 2.874 4.889 -10.204 1.00 25.40 C ATOM 760 C ASN A 49 2.144 4.313 -11.398 1.00 64.25 C ATOM 761 O ASN A 49 2.394 4.757 -12.517 1.00 74.22 O ATOM 762 CB ASN A 49 2.192 6.197 -9.705 1.00 1.54 C ATOM 763 CG ASN A 49 1.892 7.227 -10.797 1.00 64.11 C ATOM 764 OD1 ASN A 49 0.820 7.215 -11.399 1.00 4.23 O ATOM 765 ND2 ASN A 49 2.812 8.134 -11.036 1.00 2.44 N ATOM 0 H ASN A 49 4.404 5.711 -11.352 1.00 52.34 H new ATOM 0 HA ASN A 49 2.828 4.200 -9.361 1.00 25.40 H new ATOM 0 HB2 ASN A 49 1.258 5.935 -9.207 1.00 1.54 H new ATOM 0 HB3 ASN A 49 2.834 6.661 -8.956 1.00 1.54 H new ATOM 0 HD21 ASN A 49 2.647 8.855 -11.738 1.00 2.44 H new ATOM 0 HD22 ASN A 49 3.691 8.117 -10.519 1.00 2.44 H new ATOM 772 N LYS A 50 1.335 3.295 -11.237 1.00 2.34 N ATOM 773 CA LYS A 50 0.498 2.929 -12.367 1.00 52.12 C ATOM 774 C LYS A 50 -0.913 2.810 -11.893 1.00 11.42 C ATOM 775 O LYS A 50 -1.155 2.312 -10.796 1.00 22.31 O ATOM 776 CB LYS A 50 0.902 1.562 -13.001 1.00 71.13 C ATOM 777 CG LYS A 50 2.380 1.394 -13.334 1.00 44.03 C ATOM 778 CD LYS A 50 3.208 0.875 -12.145 1.00 54.51 C ATOM 779 CE LYS A 50 3.135 -0.650 -11.941 1.00 74.44 C ATOM 780 NZ LYS A 50 1.765 -1.181 -11.692 1.00 22.44 N ATOM 0 H LYS A 50 1.234 2.731 -10.393 1.00 2.34 H new ATOM 0 HA LYS A 50 0.619 3.703 -13.125 1.00 52.12 H new ATOM 0 HB2 LYS A 50 0.611 0.766 -12.316 1.00 71.13 H new ATOM 0 HB3 LYS A 50 0.325 1.423 -13.915 1.00 71.13 H new ATOM 0 HG2 LYS A 50 2.482 0.703 -14.170 1.00 44.03 H new ATOM 0 HG3 LYS A 50 2.784 2.352 -13.661 1.00 44.03 H new ATOM 0 HD2 LYS A 50 4.250 1.161 -12.290 1.00 54.51 H new ATOM 0 HD3 LYS A 50 2.865 1.369 -11.235 1.00 54.51 H new ATOM 0 HE2 LYS A 50 3.545 -1.141 -12.824 1.00 74.44 H new ATOM 0 HE3 LYS A 50 3.773 -0.921 -11.100 1.00 74.44 H new ATOM 0 HZ1 LYS A 50 1.822 -2.009 -11.066 1.00 22.44 H new ATOM 0 HZ2 LYS A 50 1.184 -0.445 -11.241 1.00 22.44 H new ATOM 0 HZ3 LYS A 50 1.331 -1.459 -12.595 1.00 22.44 H new ATOM 794 N ASN A 51 -1.826 3.288 -12.680 1.00 23.22 N ATOM 795 CA ASN A 51 -3.232 3.074 -12.464 1.00 15.20 C ATOM 796 C ASN A 51 -3.780 2.232 -13.594 1.00 63.14 C ATOM 797 O ASN A 51 -3.323 2.379 -14.722 1.00 4.15 O ATOM 798 CB ASN A 51 -4.020 4.400 -12.298 1.00 15.32 C ATOM 799 CG ASN A 51 -4.077 5.267 -13.551 1.00 63.11 C ATOM 800 OD1 ASN A 51 -4.984 5.147 -14.353 1.00 44.33 O ATOM 801 ND2 ASN A 51 -3.124 6.159 -13.706 1.00 53.23 N ATOM 0 H ASN A 51 -1.616 3.848 -13.506 1.00 23.22 H new ATOM 0 HA ASN A 51 -3.360 2.542 -11.522 1.00 15.20 H new ATOM 0 HB2 ASN A 51 -5.038 4.166 -11.988 1.00 15.32 H new ATOM 0 HB3 ASN A 51 -3.567 4.978 -11.493 1.00 15.32 H new ATOM 0 HD21 ASN A 51 -3.131 6.777 -14.518 1.00 53.23 H new ATOM 0 HD22 ASN A 51 -2.378 6.233 -13.015 1.00 53.23 H new ATOM 808 N ASN A 52 -4.689 1.341 -13.316 1.00 43.13 N ATOM 809 CA ASN A 52 -5.417 0.662 -14.398 1.00 31.43 C ATOM 810 C ASN A 52 -6.898 0.895 -14.203 1.00 51.14 C ATOM 811 O ASN A 52 -7.747 0.279 -14.845 1.00 44.34 O ATOM 812 CB ASN A 52 -5.127 -0.853 -14.505 1.00 41.41 C ATOM 813 CG ASN A 52 -3.689 -1.192 -14.881 1.00 72.04 C ATOM 814 OD1 ASN A 52 -3.321 -1.192 -16.055 1.00 33.42 O ATOM 815 ND2 ASN A 52 -2.894 -1.567 -13.918 1.00 12.34 N ATOM 0 H ASN A 52 -4.954 1.058 -12.373 1.00 43.13 H new ATOM 0 HA ASN A 52 -5.067 1.091 -15.337 1.00 31.43 H new ATOM 0 HB2 ASN A 52 -5.361 -1.324 -13.550 1.00 41.41 H new ATOM 0 HB3 ASN A 52 -5.796 -1.288 -15.248 1.00 41.41 H new ATOM 0 HD21 ASN A 52 -1.943 -1.869 -14.130 1.00 12.34 H new ATOM 0 HD22 ASN A 52 -3.223 -1.558 -12.953 1.00 12.34 H new ATOM 822 N GLY A 53 -7.217 1.782 -13.263 1.00 12.20 N ATOM 823 CA GLY A 53 -8.602 2.140 -12.973 1.00 54.33 C ATOM 824 C GLY A 53 -9.273 1.137 -12.051 1.00 71.43 C ATOM 825 O GLY A 53 -10.054 1.501 -11.136 1.00 21.23 O ATOM 0 H GLY A 53 -6.530 2.268 -12.687 1.00 12.20 H new ATOM 0 HA2 GLY A 53 -8.632 3.129 -12.515 1.00 54.33 H new ATOM 0 HA3 GLY A 53 -9.162 2.204 -13.906 1.00 54.33 H new ATOM 829 N THR A 54 -8.988 -0.114 -12.289 1.00 33.50 N ATOM 830 CA THR A 54 -9.492 -1.190 -11.498 1.00 21.32 C ATOM 831 C THR A 54 -8.429 -1.563 -10.441 1.00 42.54 C ATOM 832 O THR A 54 -8.647 -2.439 -9.586 1.00 34.42 O ATOM 833 CB THR A 54 -9.867 -2.415 -12.417 1.00 11.41 C ATOM 834 OG1 THR A 54 -10.591 -3.431 -11.686 1.00 3.33 O ATOM 835 CG2 THR A 54 -8.632 -3.035 -13.067 1.00 44.51 C ATOM 0 H THR A 54 -8.386 -0.414 -13.056 1.00 33.50 H new ATOM 0 HA THR A 54 -10.405 -0.889 -10.984 1.00 21.32 H new ATOM 0 HB THR A 54 -10.513 -2.022 -13.202 1.00 11.41 H new ATOM 0 HG1 THR A 54 -10.808 -4.174 -12.287 1.00 3.33 H new ATOM 0 HG21 THR A 54 -8.933 -3.876 -13.692 1.00 44.51 H new ATOM 0 HG22 THR A 54 -8.130 -2.287 -13.681 1.00 44.51 H new ATOM 0 HG23 THR A 54 -7.950 -3.385 -12.292 1.00 44.51 H new ATOM 843 N ASP A 55 -7.306 -0.866 -10.497 1.00 65.54 N ATOM 844 CA ASP A 55 -6.191 -1.048 -9.578 1.00 52.13 C ATOM 845 C ASP A 55 -5.241 0.118 -9.714 1.00 14.41 C ATOM 846 O ASP A 55 -5.357 0.920 -10.667 1.00 15.42 O ATOM 847 CB ASP A 55 -5.422 -2.348 -9.856 1.00 54.40 C ATOM 848 CG ASP A 55 -4.803 -2.386 -11.224 1.00 2.11 C ATOM 849 OD1 ASP A 55 -3.684 -1.849 -11.401 1.00 51.30 O ATOM 850 OD2 ASP A 55 -5.444 -2.933 -12.130 1.00 53.03 O ATOM 0 H ASP A 55 -7.139 -0.143 -11.196 1.00 65.54 H new ATOM 0 HA ASP A 55 -6.598 -1.105 -8.569 1.00 52.13 H new ATOM 0 HB2 ASP A 55 -4.640 -2.468 -9.106 1.00 54.40 H new ATOM 0 HB3 ASP A 55 -6.100 -3.194 -9.747 1.00 54.40 H new ATOM 855 N ALA A 56 -4.393 0.272 -8.729 1.00 61.11 N ATOM 856 CA ALA A 56 -3.331 1.244 -8.734 1.00 0.12 C ATOM 857 C ALA A 56 -2.167 0.688 -7.943 1.00 1.44 C ATOM 858 O ALA A 56 -2.371 -0.014 -6.950 1.00 44.12 O ATOM 859 CB ALA A 56 -3.778 2.583 -8.175 1.00 30.44 C ATOM 0 H ALA A 56 -4.424 -0.291 -7.879 1.00 61.11 H new ATOM 0 HA ALA A 56 -3.028 1.429 -9.765 1.00 0.12 H new ATOM 0 HB1 ALA A 56 -2.944 3.284 -8.199 1.00 30.44 H new ATOM 0 HB2 ALA A 56 -4.598 2.974 -8.778 1.00 30.44 H new ATOM 0 HB3 ALA A 56 -4.114 2.454 -7.146 1.00 30.44 H new ATOM 865 N GLU A 57 -0.980 0.994 -8.362 1.00 2.32 N ATOM 866 CA GLU A 57 0.205 0.502 -7.709 1.00 32.44 C ATOM 867 C GLU A 57 1.213 1.628 -7.620 1.00 71.52 C ATOM 868 O GLU A 57 1.433 2.345 -8.610 1.00 3.21 O ATOM 869 CB GLU A 57 0.796 -0.617 -8.539 1.00 63.54 C ATOM 870 CG GLU A 57 1.945 -1.373 -7.896 1.00 22.40 C ATOM 871 CD GLU A 57 2.678 -2.203 -8.910 1.00 52.30 C ATOM 872 OE1 GLU A 57 2.018 -2.871 -9.738 1.00 61.22 O ATOM 873 OE2 GLU A 57 3.901 -2.081 -8.993 1.00 74.41 O ATOM 0 H GLU A 57 -0.798 1.593 -9.168 1.00 2.32 H new ATOM 0 HA GLU A 57 -0.041 0.136 -6.712 1.00 32.44 H new ATOM 0 HB2 GLU A 57 0.004 -1.328 -8.775 1.00 63.54 H new ATOM 0 HB3 GLU A 57 1.143 -0.200 -9.485 1.00 63.54 H new ATOM 0 HG2 GLU A 57 2.634 -0.668 -7.431 1.00 22.40 H new ATOM 0 HG3 GLU A 57 1.563 -2.015 -7.102 1.00 22.40 H new ATOM 880 N ILE A 58 1.797 1.795 -6.469 1.00 73.43 N ATOM 881 CA ILE A 58 2.788 2.789 -6.242 1.00 45.42 C ATOM 882 C ILE A 58 4.085 2.144 -5.782 1.00 50.30 C ATOM 883 O ILE A 58 4.080 1.324 -4.852 1.00 51.20 O ATOM 884 CB ILE A 58 2.343 3.895 -5.238 1.00 32.14 C ATOM 885 CG1 ILE A 58 1.566 3.352 -3.993 1.00 53.01 C ATOM 886 CG2 ILE A 58 1.560 4.994 -5.946 1.00 12.35 C ATOM 887 CD1 ILE A 58 0.080 3.078 -4.219 1.00 30.21 C ATOM 0 H ILE A 58 1.588 1.227 -5.648 1.00 73.43 H new ATOM 0 HA ILE A 58 2.945 3.291 -7.197 1.00 45.42 H new ATOM 0 HB ILE A 58 3.264 4.321 -4.840 1.00 32.14 H new ATOM 0 HG12 ILE A 58 2.042 2.429 -3.662 1.00 53.01 H new ATOM 0 HG13 ILE A 58 1.666 4.072 -3.180 1.00 53.01 H new ATOM 0 HG21 ILE A 58 1.262 5.752 -5.222 1.00 12.35 H new ATOM 0 HG22 ILE A 58 2.186 5.450 -6.713 1.00 12.35 H new ATOM 0 HG23 ILE A 58 0.671 4.566 -6.410 1.00 12.35 H new ATOM 0 HD11 ILE A 58 -0.366 2.705 -3.297 1.00 30.21 H new ATOM 0 HD12 ILE A 58 -0.419 4.000 -4.516 1.00 30.21 H new ATOM 0 HD13 ILE A 58 -0.037 2.332 -5.005 1.00 30.21 H new ATOM 899 N VAL A 59 5.179 2.463 -6.472 1.00 3.11 N ATOM 900 CA VAL A 59 6.480 1.899 -6.160 1.00 2.51 C ATOM 901 C VAL A 59 7.516 3.000 -5.934 1.00 0.11 C ATOM 902 O VAL A 59 7.683 3.879 -6.786 1.00 15.23 O ATOM 903 CB VAL A 59 6.998 1.008 -7.328 1.00 41.22 C ATOM 904 CG1 VAL A 59 8.312 0.315 -6.970 1.00 54.40 C ATOM 905 CG2 VAL A 59 5.957 -0.001 -7.761 1.00 72.40 C ATOM 0 H VAL A 59 5.183 3.115 -7.256 1.00 3.11 H new ATOM 0 HA VAL A 59 6.353 1.304 -5.255 1.00 2.51 H new ATOM 0 HB VAL A 59 7.192 1.671 -8.171 1.00 41.22 H new ATOM 0 HG11 VAL A 59 8.641 -0.297 -7.810 1.00 54.40 H new ATOM 0 HG12 VAL A 59 9.071 1.066 -6.749 1.00 54.40 H new ATOM 0 HG13 VAL A 59 8.163 -0.319 -6.096 1.00 54.40 H new ATOM 0 HG21 VAL A 59 6.353 -0.605 -8.577 1.00 72.40 H new ATOM 0 HG22 VAL A 59 5.705 -0.648 -6.920 1.00 72.40 H new ATOM 0 HG23 VAL A 59 5.062 0.522 -8.098 1.00 72.40 H new ATOM 915 N SER A 60 8.181 2.968 -4.807 1.00 21.43 N ATOM 916 CA SER A 60 9.314 3.824 -4.560 1.00 62.43 C ATOM 917 C SER A 60 10.546 2.908 -4.509 1.00 1.44 C ATOM 918 O SER A 60 10.440 1.762 -4.041 1.00 15.42 O ATOM 919 CB SER A 60 9.131 4.620 -3.240 1.00 62.22 C ATOM 920 OG SER A 60 9.044 3.772 -2.112 1.00 34.23 O ATOM 0 H SER A 60 7.951 2.346 -4.032 1.00 21.43 H new ATOM 0 HA SER A 60 9.426 4.571 -5.346 1.00 62.43 H new ATOM 0 HB2 SER A 60 9.968 5.306 -3.113 1.00 62.22 H new ATOM 0 HB3 SER A 60 8.228 5.227 -3.306 1.00 62.22 H new ATOM 0 HG SER A 60 9.691 4.061 -1.435 1.00 34.23 H new ATOM 926 N ALA A 61 11.674 3.352 -5.009 1.00 42.23 N ATOM 927 CA ALA A 61 12.856 2.505 -5.029 1.00 43.34 C ATOM 928 C ALA A 61 14.004 3.163 -4.301 1.00 24.03 C ATOM 929 O ALA A 61 14.143 4.380 -4.341 1.00 40.11 O ATOM 930 CB ALA A 61 13.248 2.167 -6.460 1.00 12.23 C ATOM 0 H ALA A 61 11.805 4.283 -5.405 1.00 42.23 H new ATOM 0 HA ALA A 61 12.617 1.577 -4.510 1.00 43.34 H new ATOM 0 HB1 ALA A 61 14.134 1.533 -6.454 1.00 12.23 H new ATOM 0 HB2 ALA A 61 12.428 1.640 -6.947 1.00 12.23 H new ATOM 0 HB3 ALA A 61 13.463 3.086 -7.005 1.00 12.23 H new ATOM 936 N SER A 62 14.805 2.366 -3.634 1.00 25.41 N ATOM 937 CA SER A 62 15.930 2.864 -2.888 1.00 3.34 C ATOM 938 C SER A 62 17.200 2.778 -3.727 1.00 4.34 C ATOM 939 O SER A 62 17.423 1.795 -4.441 1.00 73.02 O ATOM 940 CB SER A 62 16.088 2.046 -1.621 1.00 4.20 C ATOM 941 OG SER A 62 14.845 1.927 -0.964 1.00 31.51 O ATOM 0 H SER A 62 14.692 1.353 -3.595 1.00 25.41 H new ATOM 0 HA SER A 62 15.758 3.909 -2.629 1.00 3.34 H new ATOM 0 HB2 SER A 62 16.476 1.057 -1.863 1.00 4.20 H new ATOM 0 HB3 SER A 62 16.814 2.520 -0.960 1.00 4.20 H new ATOM 0 HG SER A 62 14.333 1.193 -1.363 1.00 31.51 H new ATOM 947 N ASP A 63 17.993 3.816 -3.667 1.00 53.04 N ATOM 948 CA ASP A 63 19.261 3.888 -4.384 1.00 63.23 C ATOM 949 C ASP A 63 20.373 3.245 -3.577 1.00 33.43 C ATOM 950 O ASP A 63 21.301 2.665 -4.139 1.00 5.52 O ATOM 951 CB ASP A 63 19.616 5.360 -4.616 1.00 70.31 C ATOM 952 CG ASP A 63 19.700 6.107 -3.291 1.00 71.25 C ATOM 953 OD1 ASP A 63 18.621 6.395 -2.719 1.00 4.35 O ATOM 954 OD2 ASP A 63 20.813 6.321 -2.779 1.00 11.11 O ATOM 0 H ASP A 63 17.784 4.649 -3.116 1.00 53.04 H new ATOM 0 HA ASP A 63 19.157 3.358 -5.331 1.00 63.23 H new ATOM 0 HB2 ASP A 63 20.569 5.431 -5.141 1.00 70.31 H new ATOM 0 HB3 ASP A 63 18.865 5.825 -5.254 1.00 70.31 H new ATOM 959 N SER A 64 20.255 3.312 -2.269 1.00 31.25 N ATOM 960 CA SER A 64 21.281 2.820 -1.405 1.00 2.45 C ATOM 961 C SER A 64 21.247 1.294 -1.331 1.00 51.21 C ATOM 962 O SER A 64 22.289 0.632 -1.385 1.00 60.41 O ATOM 963 CB SER A 64 21.104 3.450 -0.032 1.00 3.51 C ATOM 964 OG SER A 64 21.017 4.875 -0.136 1.00 42.21 O ATOM 0 H SER A 64 19.448 3.708 -1.787 1.00 31.25 H new ATOM 0 HA SER A 64 22.259 3.094 -1.800 1.00 2.45 H new ATOM 0 HB2 SER A 64 20.202 3.059 0.439 1.00 3.51 H new ATOM 0 HB3 SER A 64 21.942 3.178 0.609 1.00 3.51 H new ATOM 0 HG SER A 64 21.105 5.140 -1.075 1.00 42.21 H new ATOM 970 N ASP A 65 20.063 0.736 -1.218 1.00 12.35 N ATOM 971 CA ASP A 65 19.915 -0.669 -1.219 1.00 54.32 C ATOM 972 C ASP A 65 18.858 -1.035 -2.229 1.00 74.33 C ATOM 973 O ASP A 65 17.769 -0.486 -2.253 1.00 42.40 O ATOM 974 CB ASP A 65 19.620 -1.257 0.177 1.00 5.04 C ATOM 975 CG ASP A 65 18.210 -1.056 0.640 1.00 52.14 C ATOM 976 OD1 ASP A 65 17.910 0.003 1.228 1.00 55.24 O ATOM 977 OD2 ASP A 65 17.401 -1.964 0.409 1.00 25.40 O ATOM 0 H ASP A 65 19.190 1.256 -1.124 1.00 12.35 H new ATOM 0 HA ASP A 65 20.867 -1.117 -1.503 1.00 54.32 H new ATOM 0 HB2 ASP A 65 19.838 -2.325 0.163 1.00 5.04 H new ATOM 0 HB3 ASP A 65 20.297 -0.803 0.901 1.00 5.04 H new ATOM 982 N SER A 66 19.230 -1.877 -3.104 1.00 54.23 N ATOM 983 CA SER A 66 18.392 -2.380 -4.156 1.00 21.13 C ATOM 984 C SER A 66 17.215 -3.260 -3.657 1.00 64.34 C ATOM 985 O SER A 66 16.252 -3.487 -4.393 1.00 22.44 O ATOM 986 CB SER A 66 19.283 -3.193 -5.039 1.00 31.41 C ATOM 987 OG SER A 66 20.352 -2.407 -5.534 1.00 23.21 O ATOM 0 H SER A 66 20.173 -2.266 -3.124 1.00 54.23 H new ATOM 0 HA SER A 66 17.926 -1.539 -4.669 1.00 21.13 H new ATOM 0 HB2 SER A 66 19.678 -4.043 -4.482 1.00 31.41 H new ATOM 0 HB3 SER A 66 18.707 -3.597 -5.871 1.00 31.41 H new ATOM 0 HG SER A 66 20.924 -2.958 -6.108 1.00 23.21 H new ATOM 993 N THR A 67 17.294 -3.750 -2.440 1.00 22.51 N ATOM 994 CA THR A 67 16.327 -4.719 -1.977 1.00 30.31 C ATOM 995 C THR A 67 15.093 -4.079 -1.328 1.00 61.44 C ATOM 996 O THR A 67 14.048 -4.749 -1.183 1.00 14.53 O ATOM 997 CB THR A 67 16.994 -5.786 -1.043 1.00 73.14 C ATOM 998 OG1 THR A 67 16.020 -6.665 -0.441 1.00 10.42 O ATOM 999 CG2 THR A 67 17.856 -5.134 0.025 1.00 50.32 C ATOM 0 H THR A 67 18.010 -3.497 -1.759 1.00 22.51 H new ATOM 0 HA THR A 67 15.959 -5.235 -2.863 1.00 30.31 H new ATOM 0 HB THR A 67 17.640 -6.393 -1.678 1.00 73.14 H new ATOM 0 HG1 THR A 67 16.361 -7.584 -0.445 1.00 10.42 H new ATOM 0 HG21 THR A 67 18.302 -5.905 0.653 1.00 50.32 H new ATOM 0 HG22 THR A 67 18.645 -4.552 -0.450 1.00 50.32 H new ATOM 0 HG23 THR A 67 17.240 -4.477 0.639 1.00 50.32 H new ATOM 1007 N ASP A 68 15.175 -2.823 -0.970 1.00 51.02 N ATOM 1008 CA ASP A 68 14.030 -2.154 -0.405 1.00 42.41 C ATOM 1009 C ASP A 68 13.357 -1.326 -1.458 1.00 4.33 C ATOM 1010 O ASP A 68 13.945 -0.394 -2.030 1.00 65.14 O ATOM 1011 CB ASP A 68 14.409 -1.252 0.762 1.00 74.04 C ATOM 1012 CG ASP A 68 13.217 -0.804 1.597 1.00 34.34 C ATOM 1013 OD1 ASP A 68 12.353 -0.014 1.128 1.00 73.52 O ATOM 1014 OD2 ASP A 68 13.144 -1.213 2.775 1.00 54.25 O ATOM 0 H ASP A 68 16.013 -2.248 -1.058 1.00 51.02 H new ATOM 0 HA ASP A 68 13.356 -2.926 -0.033 1.00 42.41 H new ATOM 0 HB2 ASP A 68 15.114 -1.779 1.404 1.00 74.04 H new ATOM 0 HB3 ASP A 68 14.924 -0.372 0.378 1.00 74.04 H new ATOM 1019 N SER A 69 12.169 -1.682 -1.748 1.00 53.13 N ATOM 1020 CA SER A 69 11.355 -0.937 -2.618 1.00 13.45 C ATOM 1021 C SER A 69 9.976 -1.012 -2.055 1.00 62.30 C ATOM 1022 O SER A 69 9.516 -2.106 -1.688 1.00 15.43 O ATOM 1023 CB SER A 69 11.428 -1.509 -4.055 1.00 33.04 C ATOM 1024 OG SER A 69 11.255 -2.938 -4.063 1.00 1.22 O ATOM 0 H SER A 69 11.724 -2.522 -1.377 1.00 53.13 H new ATOM 0 HA SER A 69 11.681 0.100 -2.693 1.00 13.45 H new ATOM 0 HB2 SER A 69 10.659 -1.045 -4.672 1.00 33.04 H new ATOM 0 HB3 SER A 69 12.390 -1.255 -4.500 1.00 33.04 H new ATOM 0 HG SER A 69 10.683 -3.202 -3.313 1.00 1.22 H new ATOM 1030 N LEU A 70 9.317 0.091 -1.958 1.00 11.43 N ATOM 1031 CA LEU A 70 8.013 0.070 -1.420 1.00 11.13 C ATOM 1032 C LEU A 70 7.088 -0.034 -2.594 1.00 63.12 C ATOM 1033 O LEU A 70 6.995 0.873 -3.398 1.00 42.15 O ATOM 1034 CB LEU A 70 7.772 1.345 -0.562 1.00 61.25 C ATOM 1035 CG LEU A 70 6.513 1.415 0.344 1.00 30.34 C ATOM 1036 CD1 LEU A 70 5.225 1.470 -0.452 1.00 55.55 C ATOM 1037 CD2 LEU A 70 6.486 0.252 1.329 1.00 63.00 C ATOM 0 H LEU A 70 9.661 1.008 -2.243 1.00 11.43 H new ATOM 0 HA LEU A 70 7.846 -0.770 -0.746 1.00 11.13 H new ATOM 0 HB2 LEU A 70 8.645 1.482 0.076 1.00 61.25 H new ATOM 0 HB3 LEU A 70 7.737 2.197 -1.241 1.00 61.25 H new ATOM 0 HG LEU A 70 6.582 2.348 0.903 1.00 30.34 H new ATOM 0 HD11 LEU A 70 4.377 1.518 0.231 1.00 55.55 H new ATOM 0 HD12 LEU A 70 5.228 2.355 -1.089 1.00 55.55 H new ATOM 0 HD13 LEU A 70 5.142 0.577 -1.072 1.00 55.55 H new ATOM 0 HD21 LEU A 70 5.595 0.324 1.952 1.00 63.00 H new ATOM 0 HD22 LEU A 70 6.470 -0.690 0.780 1.00 63.00 H new ATOM 0 HD23 LEU A 70 7.374 0.289 1.960 1.00 63.00 H new ATOM 1049 N GLN A 71 6.475 -1.161 -2.710 1.00 50.23 N ATOM 1050 CA GLN A 71 5.570 -1.449 -3.771 1.00 74.43 C ATOM 1051 C GLN A 71 4.297 -1.995 -3.198 1.00 31.24 C ATOM 1052 O GLN A 71 4.295 -3.043 -2.521 1.00 63.21 O ATOM 1053 CB GLN A 71 6.265 -2.390 -4.785 1.00 3.51 C ATOM 1054 CG GLN A 71 5.384 -3.306 -5.627 1.00 55.13 C ATOM 1055 CD GLN A 71 6.183 -3.930 -6.761 1.00 33.42 C ATOM 1056 OE1 GLN A 71 6.894 -4.924 -6.563 1.00 10.41 O ATOM 1057 NE2 GLN A 71 6.001 -3.452 -7.956 1.00 33.20 N ATOM 0 H GLN A 71 6.592 -1.931 -2.051 1.00 50.23 H new ATOM 0 HA GLN A 71 5.295 -0.550 -4.323 1.00 74.43 H new ATOM 0 HB2 GLN A 71 6.853 -1.773 -5.465 1.00 3.51 H new ATOM 0 HB3 GLN A 71 6.967 -3.015 -4.234 1.00 3.51 H new ATOM 0 HG2 GLN A 71 4.962 -4.090 -4.999 1.00 55.13 H new ATOM 0 HG3 GLN A 71 4.547 -2.739 -6.035 1.00 55.13 H new ATOM 0 HE21 GLN A 71 5.410 -2.632 -8.093 1.00 33.20 H new ATOM 0 HE22 GLN A 71 6.449 -3.897 -8.757 1.00 33.20 H new ATOM 1066 N VAL A 72 3.240 -1.259 -3.410 1.00 33.10 N ATOM 1067 CA VAL A 72 1.936 -1.610 -2.926 1.00 42.35 C ATOM 1068 C VAL A 72 0.978 -1.607 -4.078 1.00 0.53 C ATOM 1069 O VAL A 72 0.842 -0.594 -4.778 1.00 32.02 O ATOM 1070 CB VAL A 72 1.427 -0.588 -1.859 1.00 32.10 C ATOM 1071 CG1 VAL A 72 0.017 -0.937 -1.383 1.00 3.12 C ATOM 1072 CG2 VAL A 72 2.364 -0.538 -0.676 1.00 63.41 C ATOM 0 H VAL A 72 3.263 -0.384 -3.933 1.00 33.10 H new ATOM 0 HA VAL A 72 1.997 -2.595 -2.463 1.00 42.35 H new ATOM 0 HB VAL A 72 1.399 0.392 -2.335 1.00 32.10 H new ATOM 0 HG11 VAL A 72 -0.308 -0.207 -0.641 1.00 3.12 H new ATOM 0 HG12 VAL A 72 -0.668 -0.922 -2.231 1.00 3.12 H new ATOM 0 HG13 VAL A 72 0.019 -1.931 -0.936 1.00 3.12 H new ATOM 0 HG21 VAL A 72 1.990 0.180 0.054 1.00 63.41 H new ATOM 0 HG22 VAL A 72 2.424 -1.525 -0.217 1.00 63.41 H new ATOM 0 HG23 VAL A 72 3.356 -0.233 -1.010 1.00 63.41 H new ATOM 1082 N ALA A 73 0.335 -2.712 -4.273 1.00 52.23 N ATOM 1083 CA ALA A 73 -0.667 -2.836 -5.279 1.00 2.15 C ATOM 1084 C ALA A 73 -2.010 -2.841 -4.604 1.00 1.42 C ATOM 1085 O ALA A 73 -2.223 -3.573 -3.627 1.00 2.45 O ATOM 1086 CB ALA A 73 -0.463 -4.105 -6.093 1.00 10.33 C ATOM 0 H ALA A 73 0.493 -3.562 -3.732 1.00 52.23 H new ATOM 0 HA ALA A 73 -0.604 -1.997 -5.972 1.00 2.15 H new ATOM 0 HB1 ALA A 73 -1.240 -4.178 -6.854 1.00 10.33 H new ATOM 0 HB2 ALA A 73 0.515 -4.076 -6.574 1.00 10.33 H new ATOM 0 HB3 ALA A 73 -0.518 -4.972 -5.435 1.00 10.33 H new ATOM 1092 N MET A 74 -2.886 -2.011 -5.078 1.00 65.12 N ATOM 1093 CA MET A 74 -4.213 -1.901 -4.541 1.00 10.33 C ATOM 1094 C MET A 74 -5.168 -2.318 -5.619 1.00 24.02 C ATOM 1095 O MET A 74 -5.141 -1.764 -6.710 1.00 71.04 O ATOM 1096 CB MET A 74 -4.516 -0.456 -4.152 1.00 4.04 C ATOM 1097 CG MET A 74 -3.548 0.155 -3.162 1.00 1.43 C ATOM 1098 SD MET A 74 -3.901 1.891 -2.839 1.00 22.12 S ATOM 1099 CE MET A 74 -3.618 2.589 -4.457 1.00 53.50 C ATOM 0 H MET A 74 -2.701 -1.381 -5.859 1.00 65.12 H new ATOM 0 HA MET A 74 -4.307 -2.527 -3.654 1.00 10.33 H new ATOM 0 HB2 MET A 74 -4.522 0.154 -5.055 1.00 4.04 H new ATOM 0 HB3 MET A 74 -5.520 -0.412 -3.730 1.00 4.04 H new ATOM 0 HG2 MET A 74 -3.590 -0.402 -2.226 1.00 1.43 H new ATOM 0 HG3 MET A 74 -2.532 0.059 -3.545 1.00 1.43 H new ATOM 0 HE1 MET A 74 -3.059 3.520 -4.359 1.00 53.50 H new ATOM 0 HE2 MET A 74 -3.047 1.885 -5.062 1.00 53.50 H new ATOM 0 HE3 MET A 74 -4.575 2.789 -4.939 1.00 53.50 H new ATOM 1109 N LYS A 75 -6.006 -3.263 -5.327 1.00 62.01 N ATOM 1110 CA LYS A 75 -6.905 -3.782 -6.300 1.00 65.41 C ATOM 1111 C LYS A 75 -8.335 -3.488 -5.899 1.00 2.11 C ATOM 1112 O LYS A 75 -8.743 -3.788 -4.780 1.00 1.41 O ATOM 1113 CB LYS A 75 -6.717 -5.306 -6.419 1.00 41.13 C ATOM 1114 CG LYS A 75 -7.573 -5.946 -7.494 1.00 13.51 C ATOM 1115 CD LYS A 75 -7.129 -5.483 -8.860 1.00 73.55 C ATOM 1116 CE LYS A 75 -8.104 -5.868 -9.936 1.00 64.02 C ATOM 1117 NZ LYS A 75 -9.365 -5.091 -9.830 1.00 70.41 N ATOM 0 H LYS A 75 -6.083 -3.694 -4.406 1.00 62.01 H new ATOM 0 HA LYS A 75 -6.695 -3.308 -7.259 1.00 65.41 H new ATOM 0 HB2 LYS A 75 -5.669 -5.518 -6.628 1.00 41.13 H new ATOM 0 HB3 LYS A 75 -6.950 -5.767 -5.459 1.00 41.13 H new ATOM 0 HG2 LYS A 75 -7.500 -7.032 -7.429 1.00 13.51 H new ATOM 0 HG3 LYS A 75 -8.620 -5.687 -7.337 1.00 13.51 H new ATOM 0 HD2 LYS A 75 -7.008 -4.400 -8.853 1.00 73.55 H new ATOM 0 HD3 LYS A 75 -6.153 -5.911 -9.087 1.00 73.55 H new ATOM 0 HE2 LYS A 75 -7.653 -5.700 -10.914 1.00 64.02 H new ATOM 0 HE3 LYS A 75 -8.324 -6.933 -9.865 1.00 64.02 H new ATOM 0 HZ1 LYS A 75 -9.754 -4.929 -10.781 1.00 70.41 H new ATOM 0 HZ2 LYS A 75 -10.053 -5.623 -9.260 1.00 70.41 H new ATOM 0 HZ3 LYS A 75 -9.172 -4.176 -9.375 1.00 70.41 H new ATOM 1131 N LYS A 76 -9.091 -2.946 -6.828 1.00 43.02 N ATOM 1132 CA LYS A 76 -10.482 -2.625 -6.613 1.00 43.13 C ATOM 1133 C LYS A 76 -11.299 -3.883 -6.768 1.00 2.03 C ATOM 1134 O LYS A 76 -11.212 -4.582 -7.802 1.00 45.23 O ATOM 1135 CB LYS A 76 -10.929 -1.572 -7.641 1.00 12.32 C ATOM 1136 CG LYS A 76 -12.416 -1.190 -7.608 1.00 63.34 C ATOM 1137 CD LYS A 76 -12.727 -0.117 -8.660 1.00 31.53 C ATOM 1138 CE LYS A 76 -12.122 1.219 -8.263 1.00 14.15 C ATOM 1139 NZ LYS A 76 -12.185 2.251 -9.334 1.00 65.31 N ATOM 0 H LYS A 76 -8.753 -2.714 -7.762 1.00 43.02 H new ATOM 0 HA LYS A 76 -10.625 -2.220 -5.611 1.00 43.13 H new ATOM 0 HB2 LYS A 76 -10.338 -0.669 -7.487 1.00 12.32 H new ATOM 0 HB3 LYS A 76 -10.691 -1.942 -8.638 1.00 12.32 H new ATOM 0 HG2 LYS A 76 -13.027 -2.074 -7.792 1.00 63.34 H new ATOM 0 HG3 LYS A 76 -12.679 -0.821 -6.617 1.00 63.34 H new ATOM 0 HD2 LYS A 76 -12.334 -0.426 -9.628 1.00 31.53 H new ATOM 0 HD3 LYS A 76 -13.806 -0.014 -8.773 1.00 31.53 H new ATOM 0 HE2 LYS A 76 -12.640 1.593 -7.380 1.00 14.15 H new ATOM 0 HE3 LYS A 76 -11.081 1.066 -7.980 1.00 14.15 H new ATOM 0 HZ1 LYS A 76 -12.097 3.197 -8.910 1.00 65.31 H new ATOM 0 HZ2 LYS A 76 -11.408 2.100 -10.008 1.00 65.31 H new ATOM 0 HZ3 LYS A 76 -13.095 2.179 -9.833 1.00 65.31 H new ATOM 1153 N LEU A 77 -12.005 -4.204 -5.730 1.00 61.33 N ATOM 1154 CA LEU A 77 -12.857 -5.361 -5.684 1.00 71.21 C ATOM 1155 C LEU A 77 -14.320 -4.928 -5.684 1.00 41.32 C ATOM 1156 O LEU A 77 -14.660 -3.884 -5.121 1.00 34.35 O ATOM 1157 CB LEU A 77 -12.548 -6.236 -4.454 1.00 71.11 C ATOM 1158 CG LEU A 77 -11.130 -6.822 -4.365 1.00 72.21 C ATOM 1159 CD1 LEU A 77 -10.993 -7.668 -3.117 1.00 32.52 C ATOM 1160 CD2 LEU A 77 -10.797 -7.649 -5.603 1.00 32.42 C ATOM 0 H LEU A 77 -12.008 -3.659 -4.868 1.00 61.33 H new ATOM 0 HA LEU A 77 -12.665 -5.964 -6.571 1.00 71.21 H new ATOM 0 HB2 LEU A 77 -12.727 -5.641 -3.559 1.00 71.11 H new ATOM 0 HB3 LEU A 77 -13.260 -7.062 -4.436 1.00 71.11 H new ATOM 0 HG LEU A 77 -10.423 -5.994 -4.313 1.00 72.21 H new ATOM 0 HD11 LEU A 77 -9.984 -8.078 -3.064 1.00 32.52 H new ATOM 0 HD12 LEU A 77 -11.181 -7.052 -2.238 1.00 32.52 H new ATOM 0 HD13 LEU A 77 -11.715 -8.484 -3.149 1.00 32.52 H new ATOM 0 HD21 LEU A 77 -9.788 -8.051 -5.512 1.00 32.42 H new ATOM 0 HD22 LEU A 77 -11.508 -8.470 -5.694 1.00 32.42 H new ATOM 0 HD23 LEU A 77 -10.857 -7.018 -6.489 1.00 32.42 H new ATOM 1172 N PRO A 78 -15.217 -5.728 -6.285 1.00 42.11 N ATOM 1173 CA PRO A 78 -16.649 -5.403 -6.361 1.00 11.25 C ATOM 1174 C PRO A 78 -17.352 -5.759 -5.047 1.00 71.54 C ATOM 1175 O PRO A 78 -18.542 -5.555 -4.864 1.00 32.10 O ATOM 1176 CB PRO A 78 -17.147 -6.293 -7.503 1.00 52.42 C ATOM 1177 CG PRO A 78 -16.227 -7.474 -7.522 1.00 2.40 C ATOM 1178 CD PRO A 78 -14.919 -7.040 -6.895 1.00 73.15 C ATOM 0 HA PRO A 78 -16.843 -4.344 -6.528 1.00 11.25 H new ATOM 0 HB2 PRO A 78 -18.179 -6.602 -7.338 1.00 52.42 H new ATOM 0 HB3 PRO A 78 -17.122 -5.761 -8.454 1.00 52.42 H new ATOM 0 HG2 PRO A 78 -16.660 -8.307 -6.968 1.00 2.40 H new ATOM 0 HG3 PRO A 78 -16.067 -7.819 -8.543 1.00 2.40 H new ATOM 0 HD2 PRO A 78 -14.580 -7.757 -6.147 1.00 73.15 H new ATOM 0 HD3 PRO A 78 -14.129 -6.960 -7.641 1.00 73.15 H new ATOM 1186 N ASN A 79 -16.553 -6.243 -4.127 1.00 51.14 N ATOM 1187 CA ASN A 79 -16.967 -6.676 -2.803 1.00 42.04 C ATOM 1188 C ASN A 79 -16.988 -5.482 -1.856 1.00 42.14 C ATOM 1189 O ASN A 79 -17.084 -5.661 -0.623 1.00 73.44 O ATOM 1190 CB ASN A 79 -15.941 -7.708 -2.261 1.00 64.31 C ATOM 1191 CG ASN A 79 -15.835 -9.003 -3.073 1.00 54.24 C ATOM 1192 OD1 ASN A 79 -16.118 -9.034 -4.264 1.00 41.32 O ATOM 1193 ND2 ASN A 79 -15.356 -10.045 -2.454 1.00 62.11 N ATOM 0 H ASN A 79 -15.551 -6.353 -4.282 1.00 51.14 H new ATOM 0 HA ASN A 79 -17.960 -7.120 -2.866 1.00 42.04 H new ATOM 0 HB2 ASN A 79 -14.959 -7.237 -2.226 1.00 64.31 H new ATOM 0 HB3 ASN A 79 -16.210 -7.961 -1.235 1.00 64.31 H new ATOM 0 HD21 ASN A 79 -15.208 -10.917 -2.962 1.00 62.11 H new ATOM 0 HD22 ASN A 79 -15.130 -9.989 -1.461 1.00 62.11 H new ATOM 1200 N ASN A 80 -16.895 -4.262 -2.452 1.00 50.04 N ATOM 1201 CA ASN A 80 -16.777 -2.975 -1.720 1.00 54.53 C ATOM 1202 C ASN A 80 -15.525 -2.996 -0.899 1.00 71.04 C ATOM 1203 O ASN A 80 -15.430 -2.405 0.171 1.00 10.41 O ATOM 1204 CB ASN A 80 -18.018 -2.658 -0.857 1.00 54.25 C ATOM 1205 CG ASN A 80 -19.223 -2.249 -1.690 1.00 42.51 C ATOM 1206 OD1 ASN A 80 -19.408 -1.076 -1.990 1.00 32.42 O ATOM 1207 ND2 ASN A 80 -20.041 -3.202 -2.070 1.00 72.03 N ATOM 0 H ASN A 80 -16.900 -4.146 -3.465 1.00 50.04 H new ATOM 0 HA ASN A 80 -16.721 -2.170 -2.452 1.00 54.53 H new ATOM 0 HB2 ASN A 80 -18.274 -3.534 -0.261 1.00 54.25 H new ATOM 0 HB3 ASN A 80 -17.775 -1.857 -0.159 1.00 54.25 H new ATOM 0 HD21 ASN A 80 -20.861 -2.976 -2.633 1.00 72.03 H new ATOM 0 HD22 ASN A 80 -19.857 -4.169 -1.802 1.00 72.03 H new ATOM 1214 N ALA A 81 -14.551 -3.658 -1.452 1.00 61.04 N ATOM 1215 CA ALA A 81 -13.319 -3.885 -0.813 1.00 60.13 C ATOM 1216 C ALA A 81 -12.181 -3.557 -1.744 1.00 10.31 C ATOM 1217 O ALA A 81 -12.367 -3.447 -2.959 1.00 44.31 O ATOM 1218 CB ALA A 81 -13.243 -5.323 -0.375 1.00 33.24 C ATOM 0 H ALA A 81 -14.609 -4.060 -2.388 1.00 61.04 H new ATOM 0 HA ALA A 81 -13.240 -3.240 0.062 1.00 60.13 H new ATOM 0 HB1 ALA A 81 -12.289 -5.502 0.121 1.00 33.24 H new ATOM 0 HB2 ALA A 81 -14.057 -5.536 0.317 1.00 33.24 H new ATOM 0 HB3 ALA A 81 -13.327 -5.973 -1.246 1.00 33.24 H new ATOM 1224 N THR A 82 -11.041 -3.377 -1.182 1.00 74.13 N ATOM 1225 CA THR A 82 -9.849 -3.131 -1.913 1.00 62.14 C ATOM 1226 C THR A 82 -8.786 -4.052 -1.360 1.00 20.25 C ATOM 1227 O THR A 82 -8.632 -4.148 -0.149 1.00 4.15 O ATOM 1228 CB THR A 82 -9.416 -1.677 -1.726 1.00 12.45 C ATOM 1229 OG1 THR A 82 -10.518 -0.828 -2.029 1.00 42.32 O ATOM 1230 CG2 THR A 82 -8.256 -1.335 -2.642 1.00 62.31 C ATOM 0 H THR A 82 -10.906 -3.397 -0.171 1.00 74.13 H new ATOM 0 HA THR A 82 -10.005 -3.310 -2.977 1.00 62.14 H new ATOM 0 HB THR A 82 -9.094 -1.535 -0.694 1.00 12.45 H new ATOM 0 HG1 THR A 82 -11.168 -0.862 -1.296 1.00 42.32 H new ATOM 0 HG21 THR A 82 -7.967 -0.295 -2.490 1.00 62.31 H new ATOM 0 HG22 THR A 82 -7.410 -1.984 -2.416 1.00 62.31 H new ATOM 0 HG23 THR A 82 -8.557 -1.480 -3.680 1.00 62.31 H new ATOM 1238 N ARG A 83 -8.075 -4.736 -2.199 1.00 63.14 N ATOM 1239 CA ARG A 83 -7.091 -5.642 -1.713 1.00 22.11 C ATOM 1240 C ARG A 83 -5.737 -5.031 -1.886 1.00 34.41 C ATOM 1241 O ARG A 83 -5.424 -4.515 -2.949 1.00 63.10 O ATOM 1242 CB ARG A 83 -7.132 -6.975 -2.428 1.00 1.43 C ATOM 1243 CG ARG A 83 -6.533 -8.085 -1.592 1.00 73.51 C ATOM 1244 CD ARG A 83 -6.234 -9.312 -2.403 1.00 34.31 C ATOM 1245 NE ARG A 83 -5.006 -9.145 -3.212 1.00 43.33 N ATOM 1246 CZ ARG A 83 -4.508 -10.040 -4.081 1.00 1.24 C ATOM 1247 NH1 ARG A 83 -5.216 -11.133 -4.409 1.00 64.42 N ATOM 1248 NH2 ARG A 83 -3.301 -9.833 -4.617 1.00 35.12 N ATOM 0 H ARG A 83 -8.158 -4.684 -3.214 1.00 63.14 H new ATOM 0 HA ARG A 83 -7.303 -5.828 -0.660 1.00 22.11 H new ATOM 0 HB2 ARG A 83 -8.165 -7.223 -2.674 1.00 1.43 H new ATOM 0 HB3 ARG A 83 -6.590 -6.898 -3.370 1.00 1.43 H new ATOM 0 HG2 ARG A 83 -5.615 -7.729 -1.124 1.00 73.51 H new ATOM 0 HG3 ARG A 83 -7.222 -8.343 -0.788 1.00 73.51 H new ATOM 0 HD2 ARG A 83 -6.119 -10.169 -1.739 1.00 34.31 H new ATOM 0 HD3 ARG A 83 -7.076 -9.529 -3.060 1.00 34.31 H new ATOM 0 HE ARG A 83 -4.491 -8.272 -3.100 1.00 43.33 H new ATOM 0 HH11 ARG A 83 -6.137 -11.287 -3.998 1.00 64.42 H new ATOM 0 HH12 ARG A 83 -4.833 -11.809 -5.069 1.00 64.42 H new ATOM 0 HH21 ARG A 83 -2.767 -9.001 -4.365 1.00 35.12 H new ATOM 0 HH22 ARG A 83 -2.914 -10.507 -5.278 1.00 35.12 H new ATOM 1262 N ILE A 84 -4.952 -5.092 -0.861 1.00 43.32 N ATOM 1263 CA ILE A 84 -3.642 -4.532 -0.869 1.00 63.51 C ATOM 1264 C ILE A 84 -2.634 -5.648 -0.800 1.00 74.45 C ATOM 1265 O ILE A 84 -2.798 -6.629 -0.058 1.00 2.31 O ATOM 1266 CB ILE A 84 -3.438 -3.497 0.311 1.00 73.51 C ATOM 1267 CG1 ILE A 84 -3.816 -2.081 -0.116 1.00 41.53 C ATOM 1268 CG2 ILE A 84 -2.028 -3.509 0.896 1.00 34.14 C ATOM 1269 CD1 ILE A 84 -5.269 -1.879 -0.464 1.00 33.32 C ATOM 0 H ILE A 84 -5.208 -5.540 0.019 1.00 43.32 H new ATOM 0 HA ILE A 84 -3.501 -3.974 -1.795 1.00 63.51 H new ATOM 0 HB ILE A 84 -4.112 -3.825 1.102 1.00 73.51 H new ATOM 0 HG12 ILE A 84 -3.553 -1.394 0.689 1.00 41.53 H new ATOM 0 HG13 ILE A 84 -3.211 -1.806 -0.980 1.00 41.53 H new ATOM 0 HG21 ILE A 84 -1.961 -2.775 1.699 1.00 34.14 H new ATOM 0 HG22 ILE A 84 -1.806 -4.501 1.291 1.00 34.14 H new ATOM 0 HG23 ILE A 84 -1.308 -3.260 0.116 1.00 34.14 H new ATOM 0 HD11 ILE A 84 -5.433 -0.841 -0.754 1.00 33.32 H new ATOM 0 HD12 ILE A 84 -5.539 -2.534 -1.292 1.00 33.32 H new ATOM 0 HD13 ILE A 84 -5.887 -2.116 0.402 1.00 33.32 H new ATOM 1281 N SER A 85 -1.680 -5.549 -1.653 1.00 43.41 N ATOM 1282 CA SER A 85 -0.607 -6.472 -1.734 1.00 10.15 C ATOM 1283 C SER A 85 0.711 -5.703 -1.671 1.00 55.42 C ATOM 1284 O SER A 85 0.969 -4.833 -2.507 1.00 31.24 O ATOM 1285 CB SER A 85 -0.761 -7.279 -3.018 1.00 43.23 C ATOM 1286 OG SER A 85 -2.053 -7.906 -3.025 1.00 70.34 O ATOM 0 H SER A 85 -1.623 -4.796 -2.339 1.00 43.41 H new ATOM 0 HA SER A 85 -0.613 -7.173 -0.900 1.00 10.15 H new ATOM 0 HB2 SER A 85 -0.654 -6.629 -3.886 1.00 43.23 H new ATOM 0 HB3 SER A 85 0.023 -8.033 -3.085 1.00 43.23 H new ATOM 0 HG SER A 85 -2.679 -7.360 -3.545 1.00 70.34 H new ATOM 1292 N ILE A 86 1.490 -5.973 -0.662 1.00 14.24 N ATOM 1293 CA ILE A 86 2.748 -5.289 -0.458 1.00 71.31 C ATOM 1294 C ILE A 86 3.872 -6.286 -0.670 1.00 13.32 C ATOM 1295 O ILE A 86 3.792 -7.419 -0.181 1.00 24.41 O ATOM 1296 CB ILE A 86 2.853 -4.718 0.990 1.00 73.23 C ATOM 1297 CG1 ILE A 86 1.594 -3.911 1.340 1.00 73.00 C ATOM 1298 CG2 ILE A 86 4.105 -3.841 1.133 1.00 54.13 C ATOM 1299 CD1 ILE A 86 1.566 -3.378 2.758 1.00 12.54 C ATOM 0 H ILE A 86 1.276 -6.674 0.047 1.00 14.24 H new ATOM 0 HA ILE A 86 2.815 -4.459 -1.161 1.00 71.31 H new ATOM 0 HB ILE A 86 2.935 -5.554 1.685 1.00 73.23 H new ATOM 0 HG12 ILE A 86 1.511 -3.073 0.648 1.00 73.00 H new ATOM 0 HG13 ILE A 86 0.718 -4.541 1.184 1.00 73.00 H new ATOM 0 HG21 ILE A 86 4.162 -3.451 2.149 1.00 54.13 H new ATOM 0 HG22 ILE A 86 4.993 -4.437 0.923 1.00 54.13 H new ATOM 0 HG23 ILE A 86 4.050 -3.011 0.429 1.00 54.13 H new ATOM 0 HD11 ILE A 86 0.643 -2.821 2.919 1.00 12.54 H new ATOM 0 HD12 ILE A 86 1.615 -4.210 3.460 1.00 12.54 H new ATOM 0 HD13 ILE A 86 2.420 -2.719 2.916 1.00 12.54 H new ATOM 1311 N LYS A 87 4.901 -5.877 -1.362 1.00 62.15 N ATOM 1312 CA LYS A 87 6.018 -6.752 -1.644 1.00 61.30 C ATOM 1313 C LYS A 87 7.264 -6.272 -0.932 1.00 10.44 C ATOM 1314 O LYS A 87 7.713 -5.145 -1.145 1.00 51.43 O ATOM 1315 CB LYS A 87 6.317 -6.762 -3.140 1.00 33.32 C ATOM 1316 CG LYS A 87 7.556 -7.584 -3.514 1.00 4.30 C ATOM 1317 CD LYS A 87 8.342 -6.919 -4.633 1.00 14.31 C ATOM 1318 CE LYS A 87 8.957 -5.585 -4.169 1.00 60.43 C ATOM 1319 NZ LYS A 87 9.532 -4.811 -5.291 1.00 21.32 N ATOM 0 H LYS A 87 4.993 -4.936 -1.746 1.00 62.15 H new ATOM 0 HA LYS A 87 5.748 -7.751 -1.300 1.00 61.30 H new ATOM 0 HB2 LYS A 87 5.453 -7.161 -3.672 1.00 33.32 H new ATOM 0 HB3 LYS A 87 6.456 -5.736 -3.481 1.00 33.32 H new ATOM 0 HG2 LYS A 87 8.195 -7.702 -2.639 1.00 4.30 H new ATOM 0 HG3 LYS A 87 7.252 -8.584 -3.824 1.00 4.30 H new ATOM 0 HD2 LYS A 87 9.133 -7.588 -4.972 1.00 14.31 H new ATOM 0 HD3 LYS A 87 7.686 -6.743 -5.486 1.00 14.31 H new ATOM 0 HE2 LYS A 87 8.192 -4.988 -3.673 1.00 60.43 H new ATOM 0 HE3 LYS A 87 9.734 -5.783 -3.431 1.00 60.43 H new ATOM 0 HZ1 LYS A 87 10.065 -4.001 -4.916 1.00 21.32 H new ATOM 0 HZ2 LYS A 87 10.170 -5.420 -5.842 1.00 21.32 H new ATOM 0 HZ3 LYS A 87 8.766 -4.467 -5.904 1.00 21.32 H new ATOM 1333 N TYR A 88 7.792 -7.099 -0.089 1.00 70.32 N ATOM 1334 CA TYR A 88 9.036 -6.850 0.564 1.00 65.10 C ATOM 1335 C TYR A 88 9.933 -8.020 0.339 1.00 32.41 C ATOM 1336 O TYR A 88 9.447 -9.099 0.011 1.00 52.14 O ATOM 1337 CB TYR A 88 8.843 -6.648 2.019 1.00 41.44 C ATOM 1338 CG TYR A 88 9.450 -5.369 2.529 1.00 14.31 C ATOM 1339 CD1 TYR A 88 8.818 -4.155 2.309 1.00 14.44 C ATOM 1340 CD2 TYR A 88 10.634 -5.373 3.246 1.00 74.43 C ATOM 1341 CE1 TYR A 88 9.345 -2.986 2.788 1.00 32.55 C ATOM 1342 CE2 TYR A 88 11.164 -4.203 3.736 1.00 54.22 C ATOM 1343 CZ TYR A 88 10.513 -3.017 3.502 1.00 44.32 C ATOM 1344 OH TYR A 88 11.016 -1.861 4.001 1.00 64.22 O ATOM 0 H TYR A 88 7.361 -7.986 0.170 1.00 70.32 H new ATOM 0 HA TYR A 88 9.478 -5.943 0.152 1.00 65.10 H new ATOM 0 HB2 TYR A 88 7.776 -6.649 2.240 1.00 41.44 H new ATOM 0 HB3 TYR A 88 9.281 -7.489 2.557 1.00 41.44 H new ATOM 0 HD1 TYR A 88 7.894 -4.131 1.750 1.00 14.44 H new ATOM 0 HD2 TYR A 88 11.148 -6.306 3.423 1.00 74.43 H new ATOM 0 HE1 TYR A 88 8.844 -2.047 2.604 1.00 32.55 H new ATOM 0 HE2 TYR A 88 12.085 -4.217 4.300 1.00 54.22 H new ATOM 0 HH TYR A 88 11.978 -1.817 3.819 1.00 64.22 H new ATOM 1354 N GLY A 89 11.216 -7.815 0.458 1.00 31.12 N ATOM 1355 CA GLY A 89 12.125 -8.912 0.338 1.00 73.11 C ATOM 1356 C GLY A 89 12.316 -9.619 1.672 1.00 3.11 C ATOM 1357 O GLY A 89 11.395 -9.681 2.501 1.00 63.01 O ATOM 0 H GLY A 89 11.648 -6.908 0.636 1.00 31.12 H new ATOM 0 HA2 GLY A 89 11.749 -9.620 -0.401 1.00 73.11 H new ATOM 0 HA3 GLY A 89 13.087 -8.552 -0.026 1.00 73.11 H new ATOM 1361 N SER A 90 13.529 -10.047 1.908 1.00 62.00 N ATOM 1362 CA SER A 90 13.927 -10.808 3.079 1.00 22.44 C ATOM 1363 C SER A 90 13.748 -10.057 4.415 1.00 13.43 C ATOM 1364 O SER A 90 13.786 -10.664 5.477 1.00 11.32 O ATOM 1365 CB SER A 90 15.359 -11.291 2.883 1.00 71.24 C ATOM 1366 OG SER A 90 16.172 -10.244 2.353 1.00 11.32 O ATOM 0 H SER A 90 14.303 -9.871 1.267 1.00 62.00 H new ATOM 0 HA SER A 90 13.252 -11.660 3.164 1.00 22.44 H new ATOM 0 HB2 SER A 90 15.768 -11.631 3.835 1.00 71.24 H new ATOM 0 HB3 SER A 90 15.371 -12.146 2.207 1.00 71.24 H new ATOM 0 HG SER A 90 17.089 -10.570 2.235 1.00 11.32 H new ATOM 1372 N GLN A 91 13.559 -8.749 4.347 1.00 0.55 N ATOM 1373 CA GLN A 91 13.498 -7.918 5.541 1.00 70.03 C ATOM 1374 C GLN A 91 12.104 -7.978 6.173 1.00 32.34 C ATOM 1375 O GLN A 91 11.955 -7.742 7.363 1.00 22.15 O ATOM 1376 CB GLN A 91 13.810 -6.438 5.209 1.00 55.34 C ATOM 1377 CG GLN A 91 15.114 -6.149 4.445 1.00 11.12 C ATOM 1378 CD GLN A 91 15.092 -6.617 2.992 1.00 3.42 C ATOM 1379 OE1 GLN A 91 14.036 -6.679 2.354 1.00 51.42 O ATOM 1380 NE2 GLN A 91 16.236 -6.944 2.464 1.00 34.21 N ATOM 0 H GLN A 91 13.444 -8.236 3.473 1.00 0.55 H new ATOM 0 HA GLN A 91 14.243 -8.305 6.236 1.00 70.03 H new ATOM 0 HB2 GLN A 91 12.980 -6.041 4.624 1.00 55.34 H new ATOM 0 HB3 GLN A 91 13.836 -5.880 6.145 1.00 55.34 H new ATOM 0 HG2 GLN A 91 15.308 -5.077 4.469 1.00 11.12 H new ATOM 0 HG3 GLN A 91 15.942 -6.635 4.961 1.00 11.12 H new ATOM 0 HE21 GLN A 91 17.090 -6.881 3.018 1.00 34.21 H new ATOM 0 HE22 GLN A 91 16.278 -7.263 1.496 1.00 34.21 H new ATOM 1389 N GLY A 92 11.098 -8.320 5.377 1.00 40.34 N ATOM 1390 CA GLY A 92 9.744 -8.396 5.894 1.00 55.34 C ATOM 1391 C GLY A 92 9.072 -7.028 6.028 1.00 44.44 C ATOM 1392 O GLY A 92 9.492 -6.183 6.811 1.00 34.00 O ATOM 0 H GLY A 92 11.194 -8.545 4.387 1.00 40.34 H new ATOM 0 HA2 GLY A 92 9.145 -9.025 5.235 1.00 55.34 H new ATOM 0 HA3 GLY A 92 9.761 -8.882 6.869 1.00 55.34 H new ATOM 1396 N ASN A 93 8.013 -6.815 5.267 1.00 63.14 N ATOM 1397 CA ASN A 93 7.269 -5.538 5.292 1.00 1.45 C ATOM 1398 C ASN A 93 6.521 -5.284 6.579 1.00 11.43 C ATOM 1399 O ASN A 93 6.089 -4.173 6.791 1.00 22.33 O ATOM 1400 CB ASN A 93 6.285 -5.398 4.102 1.00 21.24 C ATOM 1401 CG ASN A 93 5.262 -6.519 3.977 1.00 53.25 C ATOM 1402 OD1 ASN A 93 4.811 -7.098 4.953 1.00 32.11 O ATOM 1403 ND2 ASN A 93 4.914 -6.848 2.768 1.00 43.04 N ATOM 0 H ASN A 93 7.636 -7.505 4.617 1.00 63.14 H new ATOM 0 HA ASN A 93 8.051 -4.783 5.207 1.00 1.45 H new ATOM 0 HB2 ASN A 93 5.754 -4.451 4.199 1.00 21.24 H new ATOM 0 HB3 ASN A 93 6.861 -5.347 3.178 1.00 21.24 H new ATOM 0 HD21 ASN A 93 4.249 -7.606 2.617 1.00 43.04 H new ATOM 0 HD22 ASN A 93 5.306 -6.348 1.970 1.00 43.04 H new ATOM 1410 N SER A 94 6.437 -6.282 7.440 1.00 15.14 N ATOM 1411 CA SER A 94 5.596 -6.287 8.636 1.00 21.41 C ATOM 1412 C SER A 94 5.648 -4.980 9.465 1.00 24.33 C ATOM 1413 O SER A 94 4.605 -4.485 9.895 1.00 71.50 O ATOM 1414 CB SER A 94 6.005 -7.479 9.483 1.00 70.41 C ATOM 1415 OG SER A 94 6.064 -8.648 8.669 1.00 52.32 O ATOM 0 H SER A 94 6.969 -7.145 7.327 1.00 15.14 H new ATOM 0 HA SER A 94 4.558 -6.361 8.311 1.00 21.41 H new ATOM 0 HB2 SER A 94 6.976 -7.295 9.943 1.00 70.41 H new ATOM 0 HB3 SER A 94 5.291 -7.624 10.293 1.00 70.41 H new ATOM 0 HG SER A 94 6.330 -9.415 9.217 1.00 52.32 H new ATOM 1421 N ILE A 95 6.829 -4.398 9.632 1.00 44.20 N ATOM 1422 CA ILE A 95 6.956 -3.179 10.430 1.00 50.40 C ATOM 1423 C ILE A 95 6.294 -1.987 9.703 1.00 14.31 C ATOM 1424 O ILE A 95 5.411 -1.319 10.250 1.00 65.23 O ATOM 1425 CB ILE A 95 8.461 -2.826 10.771 1.00 11.44 C ATOM 1426 CG1 ILE A 95 9.146 -3.904 11.662 1.00 52.24 C ATOM 1427 CG2 ILE A 95 8.571 -1.459 11.448 1.00 21.33 C ATOM 1428 CD1 ILE A 95 9.460 -5.226 10.979 1.00 50.52 C ATOM 0 H ILE A 95 7.703 -4.742 9.233 1.00 44.20 H new ATOM 0 HA ILE A 95 6.443 -3.368 11.373 1.00 50.40 H new ATOM 0 HB ILE A 95 8.985 -2.800 9.816 1.00 11.44 H new ATOM 0 HG12 ILE A 95 10.075 -3.489 12.052 1.00 52.24 H new ATOM 0 HG13 ILE A 95 8.502 -4.103 12.518 1.00 52.24 H new ATOM 0 HG21 ILE A 95 9.617 -1.246 11.669 1.00 21.33 H new ATOM 0 HG22 ILE A 95 8.177 -0.691 10.783 1.00 21.33 H new ATOM 0 HG23 ILE A 95 7.998 -1.465 12.375 1.00 21.33 H new ATOM 0 HD11 ILE A 95 9.935 -5.900 11.692 1.00 50.52 H new ATOM 0 HD12 ILE A 95 8.536 -5.675 10.614 1.00 50.52 H new ATOM 0 HD13 ILE A 95 10.134 -5.051 10.141 1.00 50.52 H new ATOM 1440 N ARG A 96 6.684 -1.771 8.457 1.00 71.21 N ATOM 1441 CA ARG A 96 6.145 -0.677 7.655 1.00 10.12 C ATOM 1442 C ARG A 96 4.682 -0.932 7.273 1.00 50.31 C ATOM 1443 O ARG A 96 3.885 -0.011 7.228 1.00 30.11 O ATOM 1444 CB ARG A 96 7.030 -0.412 6.419 1.00 2.05 C ATOM 1445 CG ARG A 96 8.458 -0.008 6.794 1.00 25.03 C ATOM 1446 CD ARG A 96 9.379 0.163 5.583 1.00 41.50 C ATOM 1447 NE ARG A 96 9.038 1.300 4.692 1.00 62.03 N ATOM 1448 CZ ARG A 96 9.651 1.521 3.496 1.00 4.40 C ATOM 1449 NH1 ARG A 96 10.510 0.618 3.014 1.00 72.21 N ATOM 1450 NH2 ARG A 96 9.388 2.633 2.797 1.00 62.35 N ATOM 0 H ARG A 96 7.377 -2.342 7.973 1.00 71.21 H new ATOM 0 HA ARG A 96 6.159 0.227 8.263 1.00 10.12 H new ATOM 0 HB2 ARG A 96 7.061 -1.308 5.800 1.00 2.05 H new ATOM 0 HB3 ARG A 96 6.579 0.377 5.816 1.00 2.05 H new ATOM 0 HG2 ARG A 96 8.428 0.927 7.353 1.00 25.03 H new ATOM 0 HG3 ARG A 96 8.879 -0.763 7.458 1.00 25.03 H new ATOM 0 HD2 ARG A 96 10.401 0.293 5.938 1.00 41.50 H new ATOM 0 HD3 ARG A 96 9.360 -0.756 4.998 1.00 41.50 H new ATOM 0 HE ARG A 96 8.309 1.948 4.990 1.00 62.03 H new ATOM 0 HH11 ARG A 96 10.705 -0.233 3.541 1.00 72.21 H new ATOM 0 HH12 ARG A 96 10.971 0.780 2.119 1.00 72.21 H new ATOM 0 HH21 ARG A 96 8.726 3.319 3.160 1.00 62.35 H new ATOM 0 HH22 ARG A 96 9.850 2.794 1.902 1.00 62.35 H new ATOM 1464 N SER A 97 4.350 -2.197 7.049 1.00 54.52 N ATOM 1465 CA SER A 97 3.015 -2.625 6.655 1.00 62.52 C ATOM 1466 C SER A 97 1.997 -2.298 7.745 1.00 15.01 C ATOM 1467 O SER A 97 0.939 -1.747 7.458 1.00 44.13 O ATOM 1468 CB SER A 97 3.027 -4.145 6.368 1.00 41.34 C ATOM 1469 OG SER A 97 1.786 -4.612 5.887 1.00 23.30 O ATOM 0 H SER A 97 5.013 -2.967 7.138 1.00 54.52 H new ATOM 0 HA SER A 97 2.724 -2.089 5.752 1.00 62.52 H new ATOM 0 HB2 SER A 97 3.804 -4.368 5.637 1.00 41.34 H new ATOM 0 HB3 SER A 97 3.285 -4.682 7.281 1.00 41.34 H new ATOM 0 HG SER A 97 1.879 -5.542 5.591 1.00 23.30 H new ATOM 1475 N SER A 98 2.357 -2.577 8.999 1.00 34.44 N ATOM 1476 CA SER A 98 1.474 -2.340 10.128 1.00 51.00 C ATOM 1477 C SER A 98 1.127 -0.845 10.220 1.00 64.41 C ATOM 1478 O SER A 98 -0.040 -0.464 10.388 1.00 22.01 O ATOM 1479 CB SER A 98 2.144 -2.842 11.425 1.00 35.33 C ATOM 1480 OG SER A 98 1.276 -2.757 12.543 1.00 70.10 O ATOM 0 H SER A 98 3.263 -2.970 9.253 1.00 34.44 H new ATOM 0 HA SER A 98 0.544 -2.891 9.988 1.00 51.00 H new ATOM 0 HB2 SER A 98 2.461 -3.876 11.291 1.00 35.33 H new ATOM 0 HB3 SER A 98 3.042 -2.255 11.619 1.00 35.33 H new ATOM 0 HG SER A 98 1.738 -3.086 13.342 1.00 70.10 H new ATOM 1486 N ALA A 99 2.137 -0.006 10.055 1.00 40.50 N ATOM 1487 CA ALA A 99 1.941 1.424 10.116 1.00 64.55 C ATOM 1488 C ALA A 99 1.151 1.908 8.912 1.00 2.24 C ATOM 1489 O ALA A 99 0.215 2.687 9.059 1.00 10.43 O ATOM 1490 CB ALA A 99 3.274 2.150 10.221 1.00 71.31 C ATOM 0 H ALA A 99 3.099 -0.296 9.878 1.00 40.50 H new ATOM 0 HA ALA A 99 1.365 1.651 11.013 1.00 64.55 H new ATOM 0 HB1 ALA A 99 3.100 3.225 10.265 1.00 71.31 H new ATOM 0 HB2 ALA A 99 3.793 1.829 11.124 1.00 71.31 H new ATOM 0 HB3 ALA A 99 3.885 1.917 9.349 1.00 71.31 H new ATOM 1496 N LEU A 100 1.518 1.415 7.736 1.00 55.33 N ATOM 1497 CA LEU A 100 0.878 1.783 6.490 1.00 5.02 C ATOM 1498 C LEU A 100 -0.609 1.481 6.551 1.00 64.24 C ATOM 1499 O LEU A 100 -1.431 2.356 6.308 1.00 43.22 O ATOM 1500 CB LEU A 100 1.506 0.986 5.357 1.00 51.24 C ATOM 1501 CG LEU A 100 1.100 1.370 3.941 1.00 30.31 C ATOM 1502 CD1 LEU A 100 1.519 2.796 3.629 1.00 22.33 C ATOM 1503 CD2 LEU A 100 1.708 0.408 2.949 1.00 73.25 C ATOM 0 H LEU A 100 2.276 0.742 7.625 1.00 55.33 H new ATOM 0 HA LEU A 100 1.014 2.851 6.320 1.00 5.02 H new ATOM 0 HB2 LEU A 100 2.589 1.078 5.437 1.00 51.24 H new ATOM 0 HB3 LEU A 100 1.263 -0.066 5.507 1.00 51.24 H new ATOM 0 HG LEU A 100 0.014 1.313 3.863 1.00 30.31 H new ATOM 0 HD11 LEU A 100 1.219 3.049 2.612 1.00 22.33 H new ATOM 0 HD12 LEU A 100 1.038 3.478 4.330 1.00 22.33 H new ATOM 0 HD13 LEU A 100 2.601 2.886 3.721 1.00 22.33 H new ATOM 0 HD21 LEU A 100 1.412 0.691 1.939 1.00 73.25 H new ATOM 0 HD22 LEU A 100 2.794 0.439 3.031 1.00 73.25 H new ATOM 0 HD23 LEU A 100 1.357 -0.602 3.160 1.00 73.25 H new ATOM 1515 N ILE A 101 -0.933 0.261 6.960 1.00 43.54 N ATOM 1516 CA ILE A 101 -2.321 -0.187 7.071 1.00 61.13 C ATOM 1517 C ILE A 101 -3.098 0.694 8.047 1.00 62.02 C ATOM 1518 O ILE A 101 -4.195 1.154 7.717 1.00 33.40 O ATOM 1519 CB ILE A 101 -2.418 -1.699 7.493 1.00 65.04 C ATOM 1520 CG1 ILE A 101 -1.926 -2.638 6.363 1.00 65.34 C ATOM 1521 CG2 ILE A 101 -3.831 -2.084 7.944 1.00 1.11 C ATOM 1522 CD1 ILE A 101 -2.768 -2.612 5.089 1.00 44.33 C ATOM 0 H ILE A 101 -0.246 -0.446 7.224 1.00 43.54 H new ATOM 0 HA ILE A 101 -2.771 -0.094 6.083 1.00 61.13 H new ATOM 0 HB ILE A 101 -1.756 -1.826 8.350 1.00 65.04 H new ATOM 0 HG12 ILE A 101 -0.901 -2.369 6.108 1.00 65.34 H new ATOM 0 HG13 ILE A 101 -1.902 -3.659 6.744 1.00 65.34 H new ATOM 0 HG21 ILE A 101 -3.849 -3.137 8.226 1.00 1.11 H new ATOM 0 HG22 ILE A 101 -4.118 -1.474 8.801 1.00 1.11 H new ATOM 0 HG23 ILE A 101 -4.532 -1.915 7.127 1.00 1.11 H new ATOM 0 HD11 ILE A 101 -2.344 -3.301 4.359 1.00 44.33 H new ATOM 0 HD12 ILE A 101 -3.789 -2.913 5.322 1.00 44.33 H new ATOM 0 HD13 ILE A 101 -2.772 -1.603 4.676 1.00 44.33 H new ATOM 1534 N GLY A 102 -2.488 0.983 9.204 1.00 74.13 N ATOM 1535 CA GLY A 102 -3.125 1.820 10.217 1.00 32.04 C ATOM 1536 C GLY A 102 -3.499 3.190 9.691 1.00 41.10 C ATOM 1537 O GLY A 102 -4.599 3.705 9.950 1.00 54.44 O ATOM 0 H GLY A 102 -1.558 0.649 9.457 1.00 74.13 H new ATOM 0 HA2 GLY A 102 -4.021 1.320 10.585 1.00 32.04 H new ATOM 0 HA3 GLY A 102 -2.451 1.933 11.066 1.00 32.04 H new ATOM 1541 N ILE A 103 -2.602 3.761 8.935 1.00 12.03 N ATOM 1542 CA ILE A 103 -2.805 5.061 8.348 1.00 32.10 C ATOM 1543 C ILE A 103 -3.865 4.994 7.257 1.00 13.53 C ATOM 1544 O ILE A 103 -4.771 5.829 7.222 1.00 41.34 O ATOM 1545 CB ILE A 103 -1.478 5.605 7.780 1.00 64.14 C ATOM 1546 CG1 ILE A 103 -0.468 5.739 8.918 1.00 42.33 C ATOM 1547 CG2 ILE A 103 -1.688 6.956 7.083 1.00 14.51 C ATOM 1548 CD1 ILE A 103 0.945 5.916 8.458 1.00 33.41 C ATOM 0 H ILE A 103 -1.703 3.336 8.706 1.00 12.03 H new ATOM 0 HA ILE A 103 -3.155 5.741 9.124 1.00 32.10 H new ATOM 0 HB ILE A 103 -1.098 4.908 7.033 1.00 64.14 H new ATOM 0 HG12 ILE A 103 -0.747 6.590 9.539 1.00 42.33 H new ATOM 0 HG13 ILE A 103 -0.526 4.852 9.548 1.00 42.33 H new ATOM 0 HG21 ILE A 103 -0.736 7.316 6.692 1.00 14.51 H new ATOM 0 HG22 ILE A 103 -2.395 6.836 6.262 1.00 14.51 H new ATOM 0 HG23 ILE A 103 -2.082 7.677 7.799 1.00 14.51 H new ATOM 0 HD11 ILE A 103 1.601 6.004 9.324 1.00 33.41 H new ATOM 0 HD12 ILE A 103 1.244 5.054 7.862 1.00 33.41 H new ATOM 0 HD13 ILE A 103 1.020 6.819 7.853 1.00 33.41 H new ATOM 1560 N ILE A 104 -3.778 3.976 6.404 1.00 5.41 N ATOM 1561 CA ILE A 104 -4.704 3.835 5.291 1.00 3.50 C ATOM 1562 C ILE A 104 -6.137 3.677 5.786 1.00 12.15 C ATOM 1563 O ILE A 104 -7.014 4.438 5.383 1.00 40.22 O ATOM 1564 CB ILE A 104 -4.340 2.621 4.374 1.00 22.20 C ATOM 1565 CG1 ILE A 104 -2.959 2.816 3.744 1.00 52.01 C ATOM 1566 CG2 ILE A 104 -5.392 2.429 3.276 1.00 13.12 C ATOM 1567 CD1 ILE A 104 -2.466 1.614 2.959 1.00 32.22 C ATOM 0 H ILE A 104 -3.075 3.239 6.465 1.00 5.41 H new ATOM 0 HA ILE A 104 -4.621 4.749 4.703 1.00 3.50 H new ATOM 0 HB ILE A 104 -4.321 1.727 4.997 1.00 22.20 H new ATOM 0 HG12 ILE A 104 -2.991 3.681 3.082 1.00 52.01 H new ATOM 0 HG13 ILE A 104 -2.240 3.043 4.531 1.00 52.01 H new ATOM 0 HG21 ILE A 104 -5.116 1.579 2.652 1.00 13.12 H new ATOM 0 HG22 ILE A 104 -6.364 2.244 3.732 1.00 13.12 H new ATOM 0 HG23 ILE A 104 -5.445 3.328 2.662 1.00 13.12 H new ATOM 0 HD11 ILE A 104 -1.482 1.830 2.544 1.00 32.22 H new ATOM 0 HD12 ILE A 104 -2.400 0.750 3.620 1.00 32.22 H new ATOM 0 HD13 ILE A 104 -3.162 1.398 2.149 1.00 32.22 H new ATOM 1579 N GLU A 105 -6.358 2.763 6.721 1.00 43.15 N ATOM 1580 CA GLU A 105 -7.704 2.516 7.191 1.00 11.32 C ATOM 1581 C GLU A 105 -8.285 3.711 7.934 1.00 12.32 C ATOM 1582 O GLU A 105 -9.432 4.088 7.704 1.00 71.23 O ATOM 1583 CB GLU A 105 -7.823 1.246 8.031 1.00 42.32 C ATOM 1584 CG GLU A 105 -6.929 1.191 9.252 1.00 71.42 C ATOM 1585 CD GLU A 105 -7.428 0.200 10.265 1.00 1.50 C ATOM 1586 OE1 GLU A 105 -8.210 -0.695 9.894 1.00 5.14 O ATOM 1587 OE2 GLU A 105 -7.198 0.425 11.470 1.00 14.24 O ATOM 0 H GLU A 105 -5.635 2.193 7.159 1.00 43.15 H new ATOM 0 HA GLU A 105 -8.298 2.359 6.291 1.00 11.32 H new ATOM 0 HB2 GLU A 105 -8.859 1.140 8.354 1.00 42.32 H new ATOM 0 HB3 GLU A 105 -7.597 0.388 7.397 1.00 42.32 H new ATOM 0 HG2 GLU A 105 -5.917 0.923 8.949 1.00 71.42 H new ATOM 0 HG3 GLU A 105 -6.874 2.180 9.707 1.00 71.42 H new ATOM 1594 N GLY A 106 -7.488 4.326 8.786 1.00 2.33 N ATOM 1595 CA GLY A 106 -7.964 5.442 9.569 1.00 72.43 C ATOM 1596 C GLY A 106 -8.237 6.674 8.737 1.00 30.23 C ATOM 1597 O GLY A 106 -9.192 7.406 9.015 1.00 60.43 O ATOM 0 H GLY A 106 -6.514 4.071 8.951 1.00 2.33 H new ATOM 0 HA2 GLY A 106 -8.877 5.151 10.088 1.00 72.43 H new ATOM 0 HA3 GLY A 106 -7.226 5.683 10.334 1.00 72.43 H new ATOM 1601 N ASN A 107 -7.424 6.889 7.705 1.00 1.21 N ATOM 1602 CA ASN A 107 -7.597 8.037 6.795 1.00 45.10 C ATOM 1603 C ASN A 107 -8.930 7.874 6.082 1.00 45.14 C ATOM 1604 O ASN A 107 -9.731 8.808 6.011 1.00 32.52 O ATOM 1605 CB ASN A 107 -6.424 8.071 5.770 1.00 10.22 C ATOM 1606 CG ASN A 107 -6.402 9.277 4.803 1.00 75.51 C ATOM 1607 OD1 ASN A 107 -7.421 9.829 4.426 1.00 22.12 O ATOM 1608 ND2 ASN A 107 -5.215 9.665 4.388 1.00 70.34 N ATOM 0 H ASN A 107 -6.635 6.286 7.471 1.00 1.21 H new ATOM 0 HA ASN A 107 -7.590 8.976 7.349 1.00 45.10 H new ATOM 0 HB2 ASN A 107 -5.485 8.057 6.323 1.00 10.22 H new ATOM 0 HB3 ASN A 107 -6.459 7.157 5.178 1.00 10.22 H new ATOM 0 HD21 ASN A 107 -5.133 10.445 3.736 1.00 70.34 H new ATOM 0 HD22 ASN A 107 -4.377 9.186 4.719 1.00 70.34 H new ATOM 1615 N ILE A 108 -9.197 6.651 5.645 1.00 14.31 N ATOM 1616 CA ILE A 108 -10.455 6.322 5.000 1.00 44.13 C ATOM 1617 C ILE A 108 -11.613 6.526 5.971 1.00 45.44 C ATOM 1618 O ILE A 108 -12.609 7.146 5.626 1.00 42.52 O ATOM 1619 CB ILE A 108 -10.472 4.861 4.505 1.00 4.54 C ATOM 1620 CG1 ILE A 108 -9.390 4.641 3.457 1.00 62.25 C ATOM 1621 CG2 ILE A 108 -11.840 4.510 3.936 1.00 41.24 C ATOM 1622 CD1 ILE A 108 -9.179 3.192 3.107 1.00 61.13 C ATOM 0 H ILE A 108 -8.551 5.866 5.728 1.00 14.31 H new ATOM 0 HA ILE A 108 -10.564 6.985 4.141 1.00 44.13 H new ATOM 0 HB ILE A 108 -10.270 4.207 5.353 1.00 4.54 H new ATOM 0 HG12 ILE A 108 -9.654 5.190 2.553 1.00 62.25 H new ATOM 0 HG13 ILE A 108 -8.452 5.059 3.822 1.00 62.25 H new ATOM 0 HG21 ILE A 108 -11.836 3.476 3.591 1.00 41.24 H new ATOM 0 HG22 ILE A 108 -12.598 4.631 4.710 1.00 41.24 H new ATOM 0 HG23 ILE A 108 -12.067 5.171 3.099 1.00 41.24 H new ATOM 0 HD11 ILE A 108 -8.394 3.110 2.355 1.00 61.13 H new ATOM 0 HD12 ILE A 108 -8.885 2.641 4.000 1.00 61.13 H new ATOM 0 HD13 ILE A 108 -10.105 2.774 2.712 1.00 61.13 H new ATOM 1634 N ARG A 109 -11.465 6.016 7.195 1.00 35.32 N ATOM 1635 CA ARG A 109 -12.517 6.136 8.191 1.00 73.24 C ATOM 1636 C ARG A 109 -12.863 7.572 8.491 1.00 40.30 C ATOM 1637 O ARG A 109 -14.008 7.877 8.751 1.00 65.43 O ATOM 1638 CB ARG A 109 -12.218 5.361 9.481 1.00 55.25 C ATOM 1639 CG ARG A 109 -12.041 3.881 9.233 1.00 31.44 C ATOM 1640 CD ARG A 109 -12.167 3.031 10.490 1.00 33.23 C ATOM 1641 NE ARG A 109 -10.972 3.096 11.330 1.00 51.14 N ATOM 1642 CZ ARG A 109 -10.068 2.099 11.405 1.00 72.44 C ATOM 1643 NH1 ARG A 109 -10.282 0.949 10.751 1.00 31.52 N ATOM 1644 NH2 ARG A 109 -8.969 2.242 12.135 1.00 73.12 N ATOM 0 H ARG A 109 -10.632 5.521 7.513 1.00 35.32 H new ATOM 0 HA ARG A 109 -13.394 5.671 7.740 1.00 73.24 H new ATOM 0 HB2 ARG A 109 -11.314 5.761 9.941 1.00 55.25 H new ATOM 0 HB3 ARG A 109 -13.031 5.514 10.191 1.00 55.25 H new ATOM 0 HG2 ARG A 109 -12.784 3.552 8.506 1.00 31.44 H new ATOM 0 HG3 ARG A 109 -11.061 3.711 8.787 1.00 31.44 H new ATOM 0 HD2 ARG A 109 -13.031 3.364 11.065 1.00 33.23 H new ATOM 0 HD3 ARG A 109 -12.353 1.995 10.207 1.00 33.23 H new ATOM 0 HE ARG A 109 -10.815 3.936 11.886 1.00 51.14 H new ATOM 0 HH11 ARG A 109 -11.129 0.828 10.196 1.00 31.52 H new ATOM 0 HH12 ARG A 109 -9.598 0.195 10.808 1.00 31.52 H new ATOM 0 HH21 ARG A 109 -8.804 3.111 12.644 1.00 73.12 H new ATOM 0 HH22 ARG A 109 -8.289 1.483 12.187 1.00 73.12 H new ATOM 1658 N TYR A 110 -11.881 8.441 8.476 1.00 21.45 N ATOM 1659 CA TYR A 110 -12.147 9.847 8.681 1.00 70.24 C ATOM 1660 C TYR A 110 -12.834 10.455 7.442 1.00 41.21 C ATOM 1661 O TYR A 110 -13.926 10.985 7.538 1.00 54.31 O ATOM 1662 CB TYR A 110 -10.834 10.591 8.994 1.00 31.41 C ATOM 1663 CG TYR A 110 -10.998 12.079 9.233 1.00 14.12 C ATOM 1664 CD1 TYR A 110 -11.367 12.563 10.481 1.00 31.22 C ATOM 1665 CD2 TYR A 110 -10.794 12.996 8.209 1.00 52.34 C ATOM 1666 CE1 TYR A 110 -11.527 13.917 10.701 1.00 74.54 C ATOM 1667 CE2 TYR A 110 -10.954 14.348 8.419 1.00 33.30 C ATOM 1668 CZ TYR A 110 -11.322 14.802 9.665 1.00 13.32 C ATOM 1669 OH TYR A 110 -11.490 16.149 9.872 1.00 53.44 O ATOM 0 H TYR A 110 -10.900 8.205 8.326 1.00 21.45 H new ATOM 0 HA TYR A 110 -12.822 9.956 9.530 1.00 70.24 H new ATOM 0 HB2 TYR A 110 -10.378 10.142 9.876 1.00 31.41 H new ATOM 0 HB3 TYR A 110 -10.141 10.443 8.166 1.00 31.41 H new ATOM 0 HD1 TYR A 110 -11.532 11.870 11.293 1.00 31.22 H new ATOM 0 HD2 TYR A 110 -10.505 12.642 7.230 1.00 52.34 H new ATOM 0 HE1 TYR A 110 -11.811 14.280 11.678 1.00 74.54 H new ATOM 0 HE2 TYR A 110 -10.792 15.047 7.612 1.00 33.30 H new ATOM 0 HH TYR A 110 -11.305 16.633 9.040 1.00 53.44 H new ATOM 1679 N ALA A 111 -12.227 10.249 6.279 1.00 12.43 N ATOM 1680 CA ALA A 111 -12.668 10.870 5.014 1.00 4.33 C ATOM 1681 C ALA A 111 -14.031 10.380 4.517 1.00 63.31 C ATOM 1682 O ALA A 111 -14.715 11.073 3.780 1.00 14.55 O ATOM 1683 CB ALA A 111 -11.610 10.673 3.937 1.00 43.01 C ATOM 0 H ALA A 111 -11.411 9.646 6.176 1.00 12.43 H new ATOM 0 HA ALA A 111 -12.794 11.931 5.228 1.00 4.33 H new ATOM 0 HB1 ALA A 111 -11.946 11.135 3.008 1.00 43.01 H new ATOM 0 HB2 ALA A 111 -10.676 11.136 4.256 1.00 43.01 H new ATOM 0 HB3 ALA A 111 -11.450 9.607 3.775 1.00 43.01 H new ATOM 1689 N ASN A 112 -14.394 9.168 4.886 1.00 52.12 N ATOM 1690 CA ASN A 112 -15.661 8.561 4.445 1.00 52.41 C ATOM 1691 C ASN A 112 -16.792 9.113 5.296 1.00 33.10 C ATOM 1692 O ASN A 112 -17.972 8.957 4.999 1.00 62.30 O ATOM 1693 CB ASN A 112 -15.584 7.025 4.595 1.00 2.21 C ATOM 1694 CG ASN A 112 -16.744 6.265 3.954 1.00 23.42 C ATOM 1695 OD1 ASN A 112 -16.674 5.875 2.791 1.00 22.24 O ATOM 1696 ND2 ASN A 112 -17.800 6.034 4.698 1.00 62.44 N ATOM 0 H ASN A 112 -13.834 8.570 5.494 1.00 52.12 H new ATOM 0 HA ASN A 112 -15.843 8.800 3.397 1.00 52.41 H new ATOM 0 HB2 ASN A 112 -14.650 6.676 4.154 1.00 2.21 H new ATOM 0 HB3 ASN A 112 -15.547 6.778 5.656 1.00 2.21 H new ATOM 0 HD21 ASN A 112 -18.592 5.518 4.314 1.00 62.44 H new ATOM 0 HD22 ASN A 112 -17.829 6.370 5.660 1.00 62.44 H new ATOM 1703 N THR A 113 -16.397 9.753 6.345 1.00 44.11 N ATOM 1704 CA THR A 113 -17.254 10.210 7.350 1.00 50.45 C ATOM 1705 C THR A 113 -17.390 11.752 7.314 1.00 62.10 C ATOM 1706 O THR A 113 -18.497 12.271 7.118 1.00 72.41 O ATOM 1707 CB THR A 113 -16.650 9.721 8.665 1.00 30.41 C ATOM 1708 OG1 THR A 113 -16.603 8.282 8.669 1.00 44.32 O ATOM 1709 CG2 THR A 113 -17.393 10.193 9.849 1.00 73.14 C ATOM 0 H THR A 113 -15.417 9.975 6.519 1.00 44.11 H new ATOM 0 HA THR A 113 -18.266 9.827 7.220 1.00 50.45 H new ATOM 0 HB THR A 113 -15.645 10.138 8.730 1.00 30.41 H new ATOM 0 HG1 THR A 113 -15.688 7.985 8.857 1.00 44.32 H new ATOM 0 HG21 THR A 113 -16.916 9.813 10.753 1.00 73.14 H new ATOM 0 HG22 THR A 113 -17.392 11.283 9.869 1.00 73.14 H new ATOM 0 HG23 THR A 113 -18.420 9.832 9.802 1.00 73.14 H new ATOM 1717 N HIS A 114 -16.271 12.452 7.472 1.00 40.11 N ATOM 1718 CA HIS A 114 -16.221 13.904 7.499 1.00 53.43 C ATOM 1719 C HIS A 114 -14.751 14.323 7.657 1.00 61.23 C ATOM 1720 O HIS A 114 -14.314 14.573 8.810 1.00 2.44 O ATOM 1721 CB HIS A 114 -17.074 14.466 8.677 1.00 71.44 C ATOM 1722 CG HIS A 114 -17.122 15.970 8.766 1.00 23.55 C ATOM 1723 ND1 HIS A 114 -16.065 16.724 9.189 1.00 33.23 N ATOM 1724 CD2 HIS A 114 -18.120 16.842 8.492 1.00 12.41 C ATOM 1725 CE1 HIS A 114 -16.425 18.003 9.172 1.00 25.31 C ATOM 1726 NE2 HIS A 114 -17.672 18.139 8.753 1.00 31.14 N ATOM 0 H HIS A 114 -15.357 12.014 7.587 1.00 40.11 H new ATOM 0 HA HIS A 114 -16.634 14.307 6.574 1.00 53.43 H new ATOM 0 HB2 HIS A 114 -18.092 14.090 8.580 1.00 71.44 H new ATOM 0 HB3 HIS A 114 -16.677 14.074 9.613 1.00 71.44 H new ATOM 0 HD1 HIS A 114 -15.152 16.366 9.471 1.00 33.23 H new ATOM 0 HD2 HIS A 114 -19.103 16.578 8.130 1.00 12.41 H new ATOM 0 HE1 HIS A 114 -15.784 18.823 9.462 1.00 25.31 H new TER 1734 HIS A 114