USER MOD reduce.3.24.130724 H: found=0, std=0, add=1124, rem=0, adj=60 USER MOD reduce.3.24.130724 removed 1124 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 63 ASN : amide:sc= 0.282 K(o=-0.056,f=-0.84) USER MOD Set 1.2: A 155 TYR OH : rot 180:sc= -0.338 USER MOD Set 1.3: A 157 MET CE :methyl 155:sc= 0 (180deg=-0.728) USER MOD Set 2.1: A 124 ASN : amide:sc= 0 X(o=0.0027,f=0.0027) USER MOD Set 2.2: A 132 SER OG : rot 180:sc= 0.00275 USER MOD Set 2.3: A 133 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 101 ASN :FLIP amide:sc= -0.0525 F(o=-0.96!,f=-0.053) USER MOD Set 3.2: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 76 ASN : amide:sc= 0.233 K(o=1.3,f=-3.6!) USER MOD Set 4.2: A 78 THR OG1 : rot 180:sc= 1.02 USER MOD Set 5.1: A 52 ASN : amide:sc= -2.05 K(o=-2.3,f=-3.3!) USER MOD Set 5.2: A 62 THR OG1 : rot 157:sc= 0.294 USER MOD Set 5.3: A 70 ASN :FLIP amide:sc= -1.63 F(o=-3.5,f=-2.3) USER MOD Set 5.4: A 85 THR OG1 : rot -105:sc= 1.09 USER MOD Set 6.1: A 53 TYR OH : rot -91:sc= -0.18 USER MOD Set 6.2: A 83 TYR OH : rot 115:sc= 0.196 USER MOD Set 6.3: A 117 ASN : amide:sc= 0.0941 X(o=0.11,f=0.48) USER MOD Set 7.1: A 45 ASN :FLIP amide:sc= 0.74 F(o=0.52,f=1.5) USER MOD Set 7.2: A 46 THR OG1 : rot 180:sc= 0.719 USER MOD Set 8.1: A 34 SER OG : rot 105:sc= 1.23 USER MOD Set 8.2: A 36 SER OG : rot -48:sc= 1.74 USER MOD Set 9.1: A 26 ASN : amide:sc= 0.0637 X(o=0.13,f=-0.055) USER MOD Set 9.2: A 35 TYR OH : rot 30:sc= 0.0707 USER MOD Set10.1: A 10 LYS NZ :NH3+ -170:sc= 1.11 (180deg=-0.0388) USER MOD Set10.2: A 96 SER OG : rot 76:sc= 2.36 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.0092 F(o=-1.3!,f=-0.0092) USER MOD Single : A 4 SER OG : rot -172:sc= 0.324 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 11 SER OG : rot -140:sc= -0.0746 USER MOD Single : A 12 GLN : amide:sc= -0.0184 K(o=-0.018,f=-0.95) USER MOD Single : A 13 ASN : amide:sc= 0.796 K(o=0.8,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 159:sc= -0.134 (180deg=-0.669) USER MOD Single : A 20 SER OG : rot 78:sc= 1.29 USER MOD Single : A 22 THR OG1 : rot 173:sc= 0.536 USER MOD Single : A 23 SER OG : rot 97:sc= 1.24 USER MOD Single : A 29 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.78 F(o=-3.7,f=-0.78) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 34:sc= 0.922 USER MOD Single : A 41 THR OG1 : rot 132:sc= 1.21 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 149:sc= 1.22 (180deg=0.0144) USER MOD Single : A 56 THR OG1 : rot -40:sc= 0.414 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.7!) USER MOD Single : A 59 LYS NZ :NH3+ -157:sc= -0.128 (180deg=-0.601) USER MOD Single : A 60 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.115) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 82 TYR OH : rot 84:sc= 0.512 USER MOD Single : A 87 THR OG1 : rot 35:sc= -1.08! USER MOD Single : A 91 LYS NZ :NH3+ 170:sc=-0.00634 (180deg=-0.135) USER MOD Single : A 99 THR OG1 : rot -78:sc= 1.14 USER MOD Single : A 105 SER OG : rot -108:sc= -0.678 USER MOD Single : A 107 LYS NZ :NH3+ 172:sc= 0.61 (180deg=0.268) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -3.67! C(o=-3.7!,f=-6.4!) USER MOD Single : A 114 SER OG : rot -160:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.92) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.00787 USER MOD Single : A 121 SER OG : rot 180:sc= 0.019 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 LYS NZ :NH3+ 148:sc= -0.981! (180deg=-2.31!) USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 THR OG1 : rot 69:sc= 1.28 USER MOD Single : A 145 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 THR OG1 : rot -142:sc= 1.23 USER MOD Single : A 149 SER OG : rot 180:sc= 0.058 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 ASN : amide:sc= -2.09 K(o=-2.1,f=-3.7!) USER MOD Single : A 152 LYS NZ :NH3+ 147:sc= 0.996 (180deg=-0.587!) USER MOD Single : A 154 THR OG1 : rot 35:sc= 0.115 USER MOD Single : A 158 LYS NZ :NH3+ 165:sc= -0.118 (180deg=-0.784) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.557 -3.999 -5.797 1.00 7.47 N ATOM 2 CA MET A 1 -22.915 -2.793 -6.364 1.00 7.05 C ATOM 3 C MET A 1 -21.827 -2.271 -5.431 1.00 6.18 C ATOM 4 O MET A 1 -20.639 -2.387 -5.733 1.00 6.26 O ATOM 5 CB MET A 1 -23.961 -1.703 -6.613 1.00 7.58 C ATOM 6 CG MET A 1 -23.392 -0.428 -7.220 1.00 8.43 C ATOM 7 SD MET A 1 -22.642 -0.697 -8.837 1.00 9.37 S ATOM 8 CE MET A 1 -22.115 0.965 -9.246 1.00 9.99 C ATOM 0 H1 MET A 1 -24.294 -4.338 -6.447 1.00 7.47 H new ATOM 0 H2 MET A 1 -22.843 -4.743 -5.665 1.00 7.47 H new ATOM 0 H3 MET A 1 -23.986 -3.765 -4.879 1.00 7.47 H new ATOM 0 HA MET A 1 -22.454 -3.065 -7.314 1.00 7.05 H new ATOM 0 HB2 MET A 1 -24.731 -2.097 -7.276 1.00 7.58 H new ATOM 0 HB3 MET A 1 -24.448 -1.458 -5.669 1.00 7.58 H new ATOM 0 HG2 MET A 1 -24.188 0.311 -7.312 1.00 8.43 H new ATOM 0 HG3 MET A 1 -22.646 -0.011 -6.544 1.00 8.43 H new ATOM 0 HE1 MET A 1 -21.631 0.963 -10.223 1.00 9.99 H new ATOM 0 HE2 MET A 1 -22.982 1.625 -9.272 1.00 9.99 H new ATOM 0 HE3 MET A 1 -21.411 1.319 -8.493 1.00 9.99 H new ATOM 20 N GLU A 2 -22.222 -1.709 -4.294 1.00 5.66 N ATOM 21 CA GLU A 2 -21.261 -1.119 -3.368 1.00 5.12 C ATOM 22 C GLU A 2 -20.918 -2.081 -2.231 1.00 4.18 C ATOM 23 O GLU A 2 -20.109 -1.764 -1.360 1.00 4.52 O ATOM 24 CB GLU A 2 -21.798 0.212 -2.819 1.00 5.99 C ATOM 25 CG GLU A 2 -22.826 0.087 -1.695 1.00 6.56 C ATOM 26 CD GLU A 2 -24.018 -0.784 -2.040 1.00 7.11 C ATOM 27 OE1 GLU A 2 -24.481 -0.716 -3.194 1.00 7.54 O ATOM 28 OE2 GLU A 2 -24.495 -1.545 -1.173 1.00 7.34 O ATOM 0 H GLU A 2 -23.194 -1.649 -3.992 1.00 5.66 H new ATOM 0 HA GLU A 2 -20.340 -0.922 -3.916 1.00 5.12 H new ATOM 0 HB2 GLU A 2 -20.957 0.802 -2.456 1.00 5.99 H new ATOM 0 HB3 GLU A 2 -22.248 0.770 -3.640 1.00 5.99 H new ATOM 0 HG2 GLU A 2 -22.335 -0.321 -0.812 1.00 6.56 H new ATOM 0 HG3 GLU A 2 -23.182 1.083 -1.430 1.00 6.56 H new ATOM 35 N GLN A 3 -21.539 -3.252 -2.248 1.00 3.35 N ATOM 36 CA GLN A 3 -21.254 -4.281 -1.256 1.00 2.68 C ATOM 37 C GLN A 3 -19.970 -5.008 -1.622 1.00 1.97 C ATOM 38 O GLN A 3 -19.542 -4.977 -2.777 1.00 2.24 O ATOM 39 CB GLN A 3 -22.395 -5.297 -1.182 1.00 2.90 C ATOM 40 CG GLN A 3 -23.746 -4.697 -0.844 1.00 3.57 C ATOM 41 CD GLN A 3 -24.857 -5.729 -0.852 1.00 4.03 C ATOM 42 OE1 GLN A 3 -24.711 -6.758 -1.677 1.00 4.48 O flip ATOM 43 NE2 GLN A 3 -25.840 -5.601 -0.125 1.00 4.40 N flip ATOM 0 H GLN A 3 -22.244 -3.514 -2.937 1.00 3.35 H new ATOM 0 HA GLN A 3 -21.146 -3.796 -0.286 1.00 2.68 H new ATOM 0 HB2 GLN A 3 -22.469 -5.812 -2.140 1.00 2.90 H new ATOM 0 HB3 GLN A 3 -22.147 -6.049 -0.433 1.00 2.90 H new ATOM 0 HG2 GLN A 3 -23.696 -4.229 0.139 1.00 3.57 H new ATOM 0 HG3 GLN A 3 -23.980 -3.910 -1.561 1.00 3.57 H new ATOM 0 HE21 GLN A 3 -25.914 -4.795 0.495 1.00 4.40 H new ATOM 0 HE22 GLN A 3 -26.582 -6.301 -0.142 1.00 4.40 H new ATOM 52 N SER A 4 -19.364 -5.668 -0.650 1.00 1.43 N ATOM 53 CA SER A 4 -18.189 -6.472 -0.909 1.00 0.82 C ATOM 54 C SER A 4 -18.598 -7.862 -1.393 1.00 0.93 C ATOM 55 O SER A 4 -18.690 -8.809 -0.608 1.00 1.64 O ATOM 56 CB SER A 4 -17.313 -6.553 0.346 1.00 0.60 C ATOM 57 OG SER A 4 -18.109 -6.694 1.513 1.00 1.23 O ATOM 0 H SER A 4 -19.668 -5.661 0.324 1.00 1.43 H new ATOM 0 HA SER A 4 -17.601 -6.001 -1.697 1.00 0.82 H new ATOM 0 HB2 SER A 4 -16.630 -7.398 0.263 1.00 0.60 H new ATOM 0 HB3 SER A 4 -16.701 -5.655 0.425 1.00 0.60 H new ATOM 0 HG SER A 4 -17.540 -6.623 2.308 1.00 1.23 H new ATOM 63 N ALA A 5 -18.886 -7.961 -2.688 1.00 1.31 N ATOM 64 CA ALA A 5 -19.305 -9.219 -3.290 1.00 1.41 C ATOM 65 C ALA A 5 -18.189 -9.785 -4.156 1.00 1.33 C ATOM 66 O ALA A 5 -18.247 -10.929 -4.599 1.00 1.96 O ATOM 67 CB ALA A 5 -20.574 -9.022 -4.104 1.00 1.72 C ATOM 0 H ALA A 5 -18.836 -7.180 -3.342 1.00 1.31 H new ATOM 0 HA ALA A 5 -19.519 -9.934 -2.495 1.00 1.41 H new ATOM 0 HB1 ALA A 5 -20.873 -9.972 -4.547 1.00 1.72 H new ATOM 0 HB2 ALA A 5 -21.370 -8.658 -3.455 1.00 1.72 H new ATOM 0 HB3 ALA A 5 -20.390 -8.295 -4.895 1.00 1.72 H new ATOM 73 N SER A 6 -17.181 -8.964 -4.402 1.00 1.05 N ATOM 74 CA SER A 6 -15.959 -9.410 -5.055 1.00 0.98 C ATOM 75 C SER A 6 -14.926 -9.772 -3.994 1.00 0.84 C ATOM 76 O SER A 6 -13.738 -9.940 -4.284 1.00 0.79 O ATOM 77 CB SER A 6 -15.420 -8.304 -5.962 1.00 1.17 C ATOM 78 OG SER A 6 -16.402 -7.894 -6.898 1.00 1.25 O ATOM 0 H SER A 6 -17.185 -7.974 -4.156 1.00 1.05 H new ATOM 0 HA SER A 6 -16.170 -10.288 -5.666 1.00 0.98 H new ATOM 0 HB2 SER A 6 -15.110 -7.452 -5.358 1.00 1.17 H new ATOM 0 HB3 SER A 6 -14.535 -8.660 -6.490 1.00 1.17 H new ATOM 0 HG SER A 6 -16.036 -7.185 -7.467 1.00 1.25 H new ATOM 84 N ASP A 7 -15.423 -9.933 -2.772 1.00 0.83 N ATOM 85 CA ASP A 7 -14.601 -10.101 -1.578 1.00 0.77 C ATOM 86 C ASP A 7 -13.794 -11.392 -1.610 1.00 0.72 C ATOM 87 O ASP A 7 -12.798 -11.532 -0.905 1.00 0.82 O ATOM 88 CB ASP A 7 -15.495 -10.085 -0.340 1.00 0.85 C ATOM 89 CG ASP A 7 -16.360 -11.325 -0.233 1.00 0.92 C ATOM 90 OD1 ASP A 7 -17.131 -11.596 -1.174 1.00 1.18 O ATOM 91 OD2 ASP A 7 -16.265 -12.044 0.786 1.00 1.36 O ATOM 0 H ASP A 7 -16.425 -9.951 -2.580 1.00 0.83 H new ATOM 0 HA ASP A 7 -13.892 -9.274 -1.545 1.00 0.77 H new ATOM 0 HB2 ASP A 7 -14.874 -10.001 0.552 1.00 0.85 H new ATOM 0 HB3 ASP A 7 -16.133 -9.202 -0.368 1.00 0.85 H new ATOM 96 N SER A 8 -14.241 -12.343 -2.399 1.00 0.69 N ATOM 97 CA SER A 8 -13.504 -13.576 -2.587 1.00 0.75 C ATOM 98 C SER A 8 -13.127 -13.722 -4.057 1.00 0.78 C ATOM 99 O SER A 8 -12.011 -14.111 -4.382 1.00 1.03 O ATOM 100 CB SER A 8 -14.342 -14.773 -2.117 1.00 0.89 C ATOM 101 OG SER A 8 -13.613 -15.986 -2.205 1.00 1.49 O ATOM 0 H SER A 8 -15.114 -12.287 -2.923 1.00 0.69 H new ATOM 0 HA SER A 8 -12.592 -13.548 -1.990 1.00 0.75 H new ATOM 0 HB2 SER A 8 -14.661 -14.613 -1.087 1.00 0.89 H new ATOM 0 HB3 SER A 8 -15.245 -14.846 -2.722 1.00 0.89 H new ATOM 0 HG SER A 8 -14.174 -16.728 -1.897 1.00 1.49 H new ATOM 107 N ASN A 9 -14.057 -13.355 -4.936 1.00 0.73 N ATOM 108 CA ASN A 9 -13.869 -13.524 -6.375 1.00 0.82 C ATOM 109 C ASN A 9 -12.605 -12.824 -6.879 1.00 0.77 C ATOM 110 O ASN A 9 -11.691 -13.474 -7.391 1.00 0.86 O ATOM 111 CB ASN A 9 -15.084 -12.987 -7.134 1.00 0.94 C ATOM 112 CG ASN A 9 -14.948 -13.165 -8.635 1.00 1.48 C ATOM 113 OD1 ASN A 9 -14.341 -14.125 -9.105 1.00 2.27 O ATOM 114 ND2 ASN A 9 -15.502 -12.233 -9.398 1.00 2.04 N ATOM 0 H ASN A 9 -14.951 -12.938 -4.676 1.00 0.73 H new ATOM 0 HA ASN A 9 -13.757 -14.592 -6.559 1.00 0.82 H new ATOM 0 HB2 ASN A 9 -15.982 -13.500 -6.789 1.00 0.94 H new ATOM 0 HB3 ASN A 9 -15.214 -11.929 -6.906 1.00 0.94 H new ATOM 0 HD21 ASN A 9 -15.433 -12.298 -10.414 1.00 2.04 H new ATOM 0 HD22 ASN A 9 -15.998 -11.451 -8.969 1.00 2.04 H new ATOM 121 N LYS A 10 -12.531 -11.510 -6.716 1.00 0.72 N ATOM 122 CA LYS A 10 -11.398 -10.770 -7.253 1.00 0.75 C ATOM 123 C LYS A 10 -10.266 -10.733 -6.238 1.00 0.70 C ATOM 124 O LYS A 10 -9.106 -10.539 -6.594 1.00 0.76 O ATOM 125 CB LYS A 10 -11.798 -9.349 -7.684 1.00 0.83 C ATOM 126 CG LYS A 10 -11.735 -8.296 -6.583 1.00 0.99 C ATOM 127 CD LYS A 10 -11.995 -6.902 -7.141 1.00 1.03 C ATOM 128 CE LYS A 10 -11.116 -6.619 -8.351 1.00 1.11 C ATOM 129 NZ LYS A 10 -11.497 -5.363 -9.047 1.00 1.56 N ATOM 0 H LYS A 10 -13.225 -10.945 -6.227 1.00 0.72 H new ATOM 0 HA LYS A 10 -11.051 -11.290 -8.146 1.00 0.75 H new ATOM 0 HB2 LYS A 10 -11.147 -9.037 -8.501 1.00 0.83 H new ATOM 0 HB3 LYS A 10 -12.813 -9.378 -8.079 1.00 0.83 H new ATOM 0 HG2 LYS A 10 -12.472 -8.526 -5.813 1.00 0.99 H new ATOM 0 HG3 LYS A 10 -10.756 -8.323 -6.105 1.00 0.99 H new ATOM 0 HD2 LYS A 10 -13.044 -6.810 -7.421 1.00 1.03 H new ATOM 0 HD3 LYS A 10 -11.805 -6.157 -6.368 1.00 1.03 H new ATOM 0 HE2 LYS A 10 -10.075 -6.554 -8.033 1.00 1.11 H new ATOM 0 HE3 LYS A 10 -11.184 -7.453 -9.049 1.00 1.11 H new ATOM 0 HZ1 LYS A 10 -10.988 -5.300 -9.952 1.00 1.56 H new ATOM 0 HZ2 LYS A 10 -12.522 -5.362 -9.225 1.00 1.56 H new ATOM 0 HZ3 LYS A 10 -11.248 -4.547 -8.452 1.00 1.56 H new ATOM 143 N SER A 11 -10.607 -10.960 -4.973 1.00 0.65 N ATOM 144 CA SER A 11 -9.625 -10.926 -3.910 1.00 0.64 C ATOM 145 C SER A 11 -8.708 -12.135 -4.018 1.00 0.66 C ATOM 146 O SER A 11 -7.496 -12.006 -3.896 1.00 0.67 O ATOM 147 CB SER A 11 -10.314 -10.889 -2.542 1.00 0.67 C ATOM 148 OG SER A 11 -9.373 -10.754 -1.489 1.00 1.52 O ATOM 0 H SER A 11 -11.557 -11.169 -4.666 1.00 0.65 H new ATOM 0 HA SER A 11 -9.026 -10.021 -4.010 1.00 0.64 H new ATOM 0 HB2 SER A 11 -11.018 -10.058 -2.511 1.00 0.67 H new ATOM 0 HB3 SER A 11 -10.892 -11.802 -2.400 1.00 0.67 H new ATOM 0 HG SER A 11 -9.641 -11.321 -0.736 1.00 1.52 H new ATOM 154 N GLN A 12 -9.293 -13.299 -4.286 1.00 0.72 N ATOM 155 CA GLN A 12 -8.534 -14.532 -4.410 1.00 0.81 C ATOM 156 C GLN A 12 -7.512 -14.423 -5.535 1.00 0.79 C ATOM 157 O GLN A 12 -6.341 -14.766 -5.362 1.00 0.85 O ATOM 158 CB GLN A 12 -9.479 -15.692 -4.694 1.00 0.95 C ATOM 159 CG GLN A 12 -8.876 -17.045 -4.393 1.00 1.19 C ATOM 160 CD GLN A 12 -9.739 -18.186 -4.886 1.00 1.74 C ATOM 161 OE1 GLN A 12 -10.430 -18.066 -5.898 1.00 2.34 O ATOM 162 NE2 GLN A 12 -9.718 -19.294 -4.166 1.00 2.40 N ATOM 0 H GLN A 12 -10.298 -13.410 -4.422 1.00 0.72 H new ATOM 0 HA GLN A 12 -8.007 -14.709 -3.473 1.00 0.81 H new ATOM 0 HB2 GLN A 12 -10.385 -15.566 -4.101 1.00 0.95 H new ATOM 0 HB3 GLN A 12 -9.777 -15.660 -5.742 1.00 0.95 H new ATOM 0 HG2 GLN A 12 -7.892 -17.112 -4.856 1.00 1.19 H new ATOM 0 HG3 GLN A 12 -8.729 -17.143 -3.317 1.00 1.19 H new ATOM 0 HE21 GLN A 12 -9.131 -19.351 -3.334 1.00 2.40 H new ATOM 0 HE22 GLN A 12 -10.289 -20.093 -4.442 1.00 2.40 H new ATOM 171 N ASN A 13 -7.962 -13.938 -6.687 1.00 0.77 N ATOM 172 CA ASN A 13 -7.084 -13.764 -7.838 1.00 0.81 C ATOM 173 C ASN A 13 -5.996 -12.746 -7.530 1.00 0.73 C ATOM 174 O ASN A 13 -4.831 -12.945 -7.874 1.00 0.76 O ATOM 175 CB ASN A 13 -7.875 -13.333 -9.079 1.00 0.95 C ATOM 176 CG ASN A 13 -8.674 -14.472 -9.691 1.00 1.41 C ATOM 177 OD1 ASN A 13 -8.150 -15.242 -10.498 1.00 2.14 O ATOM 178 ND2 ASN A 13 -9.946 -14.578 -9.335 1.00 1.63 N ATOM 0 H ASN A 13 -8.930 -13.658 -6.848 1.00 0.77 H new ATOM 0 HA ASN A 13 -6.617 -14.726 -8.049 1.00 0.81 H new ATOM 0 HB2 ASN A 13 -8.553 -12.523 -8.809 1.00 0.95 H new ATOM 0 HB3 ASN A 13 -7.186 -12.937 -9.825 1.00 0.95 H new ATOM 0 HD21 ASN A 13 -10.527 -15.316 -9.732 1.00 1.63 H new ATOM 0 HD22 ASN A 13 -10.344 -13.921 -8.664 1.00 1.63 H new ATOM 185 N ALA A 14 -6.379 -11.664 -6.864 1.00 0.69 N ATOM 186 CA ALA A 14 -5.429 -10.636 -6.472 1.00 0.66 C ATOM 187 C ALA A 14 -4.386 -11.198 -5.511 1.00 0.59 C ATOM 188 O ALA A 14 -3.196 -10.928 -5.660 1.00 0.61 O ATOM 189 CB ALA A 14 -6.147 -9.457 -5.843 1.00 0.68 C ATOM 0 H ALA A 14 -7.342 -11.477 -6.585 1.00 0.69 H new ATOM 0 HA ALA A 14 -4.916 -10.290 -7.369 1.00 0.66 H new ATOM 0 HB1 ALA A 14 -5.419 -8.698 -5.556 1.00 0.68 H new ATOM 0 HB2 ALA A 14 -6.849 -9.033 -6.561 1.00 0.68 H new ATOM 0 HB3 ALA A 14 -6.690 -9.791 -4.959 1.00 0.68 H new ATOM 195 N ILE A 15 -4.840 -11.988 -4.538 1.00 0.59 N ATOM 196 CA ILE A 15 -3.942 -12.621 -3.576 1.00 0.60 C ATOM 197 C ILE A 15 -2.887 -13.450 -4.294 1.00 0.59 C ATOM 198 O ILE A 15 -1.706 -13.395 -3.958 1.00 0.59 O ATOM 199 CB ILE A 15 -4.708 -13.523 -2.575 1.00 0.72 C ATOM 200 CG1 ILE A 15 -5.670 -12.694 -1.716 1.00 0.87 C ATOM 201 CG2 ILE A 15 -3.741 -14.298 -1.691 1.00 0.77 C ATOM 202 CD1 ILE A 15 -5.020 -11.519 -1.017 1.00 1.80 C ATOM 0 H ILE A 15 -5.827 -12.204 -4.396 1.00 0.59 H new ATOM 0 HA ILE A 15 -3.461 -11.819 -3.015 1.00 0.60 H new ATOM 0 HB ILE A 15 -5.293 -14.238 -3.152 1.00 0.72 H new ATOM 0 HG12 ILE A 15 -6.478 -12.325 -2.348 1.00 0.87 H new ATOM 0 HG13 ILE A 15 -6.122 -13.344 -0.967 1.00 0.87 H new ATOM 0 HG21 ILE A 15 -4.303 -14.923 -0.998 1.00 0.77 H new ATOM 0 HG22 ILE A 15 -3.104 -14.927 -2.313 1.00 0.77 H new ATOM 0 HG23 ILE A 15 -3.122 -13.599 -1.129 1.00 0.77 H new ATOM 0 HD11 ILE A 15 -5.768 -10.985 -0.431 1.00 1.80 H new ATOM 0 HD12 ILE A 15 -4.231 -11.879 -0.357 1.00 1.80 H new ATOM 0 HD13 ILE A 15 -4.592 -10.845 -1.759 1.00 1.80 H new ATOM 214 N SER A 16 -3.323 -14.195 -5.302 1.00 0.64 N ATOM 215 CA SER A 16 -2.427 -15.028 -6.087 1.00 0.70 C ATOM 216 C SER A 16 -1.304 -14.185 -6.696 1.00 0.69 C ATOM 217 O SER A 16 -0.123 -14.511 -6.554 1.00 0.79 O ATOM 218 CB SER A 16 -3.221 -15.747 -7.188 1.00 0.81 C ATOM 219 OG SER A 16 -2.436 -16.727 -7.849 1.00 1.28 O ATOM 0 H SER A 16 -4.299 -14.238 -5.595 1.00 0.64 H new ATOM 0 HA SER A 16 -1.973 -15.773 -5.434 1.00 0.70 H new ATOM 0 HB2 SER A 16 -4.101 -16.220 -6.752 1.00 0.81 H new ATOM 0 HB3 SER A 16 -3.578 -15.017 -7.914 1.00 0.81 H new ATOM 0 HG SER A 16 -2.974 -17.165 -8.541 1.00 1.28 H new ATOM 225 N GLU A 17 -1.678 -13.083 -7.336 1.00 0.68 N ATOM 226 CA GLU A 17 -0.717 -12.239 -8.028 1.00 0.75 C ATOM 227 C GLU A 17 0.165 -11.467 -7.046 1.00 0.69 C ATOM 228 O GLU A 17 1.388 -11.441 -7.193 1.00 0.75 O ATOM 229 CB GLU A 17 -1.438 -11.261 -8.956 1.00 0.88 C ATOM 230 CG GLU A 17 -2.320 -11.937 -9.994 1.00 1.30 C ATOM 231 CD GLU A 17 -1.571 -12.964 -10.819 1.00 1.49 C ATOM 232 OE1 GLU A 17 -0.686 -12.574 -11.607 1.00 1.70 O ATOM 233 OE2 GLU A 17 -1.870 -14.167 -10.688 1.00 2.07 O ATOM 0 H GLU A 17 -2.642 -12.755 -7.389 1.00 0.68 H new ATOM 0 HA GLU A 17 -0.074 -12.891 -8.619 1.00 0.75 H new ATOM 0 HB2 GLU A 17 -2.050 -10.589 -8.355 1.00 0.88 H new ATOM 0 HB3 GLU A 17 -0.697 -10.646 -9.467 1.00 0.88 H new ATOM 0 HG2 GLU A 17 -3.158 -12.421 -9.493 1.00 1.30 H new ATOM 0 HG3 GLU A 17 -2.739 -11.180 -10.657 1.00 1.30 H new ATOM 240 N VAL A 18 -0.452 -10.854 -6.041 1.00 0.64 N ATOM 241 CA VAL A 18 0.286 -10.009 -5.107 1.00 0.69 C ATOM 242 C VAL A 18 1.246 -10.835 -4.247 1.00 0.67 C ATOM 243 O VAL A 18 2.349 -10.387 -3.941 1.00 0.76 O ATOM 244 CB VAL A 18 -0.660 -9.170 -4.204 1.00 0.75 C ATOM 245 CG1 VAL A 18 -1.431 -10.040 -3.226 1.00 1.59 C ATOM 246 CG2 VAL A 18 0.115 -8.090 -3.463 1.00 1.43 C ATOM 0 H VAL A 18 -1.452 -10.925 -5.853 1.00 0.64 H new ATOM 0 HA VAL A 18 0.871 -9.315 -5.711 1.00 0.69 H new ATOM 0 HB VAL A 18 -1.387 -8.690 -4.859 1.00 0.75 H new ATOM 0 HG11 VAL A 18 -2.080 -9.413 -2.615 1.00 1.59 H new ATOM 0 HG12 VAL A 18 -2.036 -10.759 -3.778 1.00 1.59 H new ATOM 0 HG13 VAL A 18 -0.731 -10.573 -2.583 1.00 1.59 H new ATOM 0 HG21 VAL A 18 -0.569 -7.516 -2.837 1.00 1.43 H new ATOM 0 HG22 VAL A 18 0.877 -8.554 -2.837 1.00 1.43 H new ATOM 0 HG23 VAL A 18 0.592 -7.426 -4.183 1.00 1.43 H new ATOM 256 N MET A 19 0.843 -12.053 -3.891 1.00 0.65 N ATOM 257 CA MET A 19 1.688 -12.928 -3.083 1.00 0.75 C ATOM 258 C MET A 19 2.891 -13.394 -3.891 1.00 0.74 C ATOM 259 O MET A 19 3.983 -13.577 -3.358 1.00 0.78 O ATOM 260 CB MET A 19 0.891 -14.133 -2.578 1.00 0.89 C ATOM 261 CG MET A 19 1.684 -15.056 -1.664 1.00 1.25 C ATOM 262 SD MET A 19 0.706 -16.451 -1.067 1.00 2.00 S ATOM 263 CE MET A 19 0.307 -17.269 -2.612 1.00 2.13 C ATOM 0 H MET A 19 -0.059 -12.454 -4.148 1.00 0.65 H new ATOM 0 HA MET A 19 2.041 -12.363 -2.221 1.00 0.75 H new ATOM 0 HB2 MET A 19 0.011 -13.776 -2.043 1.00 0.89 H new ATOM 0 HB3 MET A 19 0.533 -14.705 -3.434 1.00 0.89 H new ATOM 0 HG2 MET A 19 2.555 -15.431 -2.200 1.00 1.25 H new ATOM 0 HG3 MET A 19 2.055 -14.486 -0.812 1.00 1.25 H new ATOM 0 HE1 MET A 19 0.044 -18.308 -2.416 1.00 2.13 H new ATOM 0 HE2 MET A 19 -0.536 -16.764 -3.084 1.00 2.13 H new ATOM 0 HE3 MET A 19 1.170 -17.232 -3.277 1.00 2.13 H new ATOM 273 N SER A 20 2.687 -13.579 -5.185 1.00 0.75 N ATOM 274 CA SER A 20 3.772 -13.962 -6.071 1.00 0.82 C ATOM 275 C SER A 20 4.734 -12.789 -6.252 1.00 0.82 C ATOM 276 O SER A 20 5.952 -12.972 -6.289 1.00 0.90 O ATOM 277 CB SER A 20 3.217 -14.415 -7.420 1.00 0.91 C ATOM 278 OG SER A 20 2.273 -15.461 -7.254 1.00 1.63 O ATOM 0 H SER A 20 1.782 -13.470 -5.644 1.00 0.75 H new ATOM 0 HA SER A 20 4.317 -14.795 -5.627 1.00 0.82 H new ATOM 0 HB2 SER A 20 2.746 -13.572 -7.926 1.00 0.91 H new ATOM 0 HB3 SER A 20 4.033 -14.754 -8.058 1.00 0.91 H new ATOM 0 HG SER A 20 1.420 -15.087 -6.950 1.00 1.63 H new ATOM 284 N ALA A 21 4.172 -11.587 -6.330 1.00 0.78 N ATOM 285 CA ALA A 21 4.962 -10.370 -6.480 1.00 0.85 C ATOM 286 C ALA A 21 5.890 -10.165 -5.285 1.00 0.82 C ATOM 287 O ALA A 21 7.083 -9.895 -5.455 1.00 0.89 O ATOM 288 CB ALA A 21 4.050 -9.165 -6.652 1.00 0.93 C ATOM 0 H ALA A 21 3.165 -11.429 -6.291 1.00 0.78 H new ATOM 0 HA ALA A 21 5.578 -10.477 -7.373 1.00 0.85 H new ATOM 0 HB1 ALA A 21 4.654 -8.264 -6.763 1.00 0.93 H new ATOM 0 HB2 ALA A 21 3.433 -9.300 -7.540 1.00 0.93 H new ATOM 0 HB3 ALA A 21 3.409 -9.066 -5.776 1.00 0.93 H new ATOM 294 N THR A 22 5.348 -10.303 -4.078 1.00 0.78 N ATOM 295 CA THR A 22 6.144 -10.143 -2.871 1.00 0.83 C ATOM 296 C THR A 22 7.196 -11.242 -2.777 1.00 0.87 C ATOM 297 O THR A 22 8.353 -10.972 -2.457 1.00 0.94 O ATOM 298 CB THR A 22 5.269 -10.136 -1.598 1.00 0.89 C ATOM 299 OG1 THR A 22 4.373 -11.252 -1.598 1.00 1.42 O ATOM 300 CG2 THR A 22 4.474 -8.844 -1.497 1.00 1.93 C ATOM 0 H THR A 22 4.366 -10.524 -3.913 1.00 0.78 H new ATOM 0 HA THR A 22 6.640 -9.175 -2.937 1.00 0.83 H new ATOM 0 HB THR A 22 5.932 -10.211 -0.736 1.00 0.89 H new ATOM 0 HG1 THR A 22 3.910 -11.300 -0.736 1.00 1.42 H new ATOM 0 HG21 THR A 22 3.865 -8.861 -0.593 1.00 1.93 H new ATOM 0 HG22 THR A 22 5.159 -7.997 -1.457 1.00 1.93 H new ATOM 0 HG23 THR A 22 3.827 -8.746 -2.369 1.00 1.93 H new ATOM 308 N SER A 23 6.797 -12.469 -3.090 1.00 0.89 N ATOM 309 CA SER A 23 7.715 -13.605 -3.074 1.00 0.99 C ATOM 310 C SER A 23 8.884 -13.376 -4.032 1.00 1.01 C ATOM 311 O SER A 23 10.038 -13.639 -3.692 1.00 1.11 O ATOM 312 CB SER A 23 6.979 -14.896 -3.446 1.00 1.07 C ATOM 313 OG SER A 23 5.930 -15.171 -2.533 1.00 1.55 O ATOM 0 H SER A 23 5.842 -12.705 -3.359 1.00 0.89 H new ATOM 0 HA SER A 23 8.110 -13.702 -2.063 1.00 0.99 H new ATOM 0 HB2 SER A 23 6.573 -14.809 -4.454 1.00 1.07 H new ATOM 0 HB3 SER A 23 7.683 -15.728 -3.457 1.00 1.07 H new ATOM 0 HG SER A 23 5.083 -14.842 -2.900 1.00 1.55 H new ATOM 319 N ALA A 24 8.580 -12.880 -5.227 1.00 0.96 N ATOM 320 CA ALA A 24 9.607 -12.584 -6.218 1.00 1.03 C ATOM 321 C ALA A 24 10.542 -11.485 -5.726 1.00 1.01 C ATOM 322 O ALA A 24 11.761 -11.600 -5.840 1.00 1.10 O ATOM 323 CB ALA A 24 8.968 -12.182 -7.537 1.00 1.05 C ATOM 0 H ALA A 24 7.629 -12.674 -5.532 1.00 0.96 H new ATOM 0 HA ALA A 24 10.198 -13.487 -6.374 1.00 1.03 H new ATOM 0 HB1 ALA A 24 9.747 -11.964 -8.267 1.00 1.05 H new ATOM 0 HB2 ALA A 24 8.345 -12.998 -7.903 1.00 1.05 H new ATOM 0 HB3 ALA A 24 8.352 -11.295 -7.388 1.00 1.05 H new ATOM 329 N ILE A 25 9.961 -10.430 -5.169 1.00 0.93 N ATOM 330 CA ILE A 25 10.724 -9.302 -4.669 1.00 0.93 C ATOM 331 C ILE A 25 11.596 -9.700 -3.475 1.00 0.97 C ATOM 332 O ILE A 25 12.759 -9.304 -3.390 1.00 1.02 O ATOM 333 CB ILE A 25 9.771 -8.150 -4.286 1.00 0.89 C ATOM 334 CG1 ILE A 25 9.340 -7.375 -5.534 1.00 1.23 C ATOM 335 CG2 ILE A 25 10.406 -7.227 -3.271 1.00 1.11 C ATOM 336 CD1 ILE A 25 10.491 -6.719 -6.271 1.00 1.56 C ATOM 0 H ILE A 25 8.952 -10.336 -5.053 1.00 0.93 H new ATOM 0 HA ILE A 25 11.390 -8.964 -5.463 1.00 0.93 H new ATOM 0 HB ILE A 25 8.884 -8.585 -3.826 1.00 0.89 H new ATOM 0 HG12 ILE A 25 8.825 -8.055 -6.213 1.00 1.23 H new ATOM 0 HG13 ILE A 25 8.621 -6.608 -5.245 1.00 1.23 H new ATOM 0 HG21 ILE A 25 9.710 -6.426 -3.022 1.00 1.11 H new ATOM 0 HG22 ILE A 25 10.649 -7.790 -2.370 1.00 1.11 H new ATOM 0 HG23 ILE A 25 11.317 -6.799 -3.689 1.00 1.11 H new ATOM 0 HD11 ILE A 25 10.109 -6.189 -7.143 1.00 1.56 H new ATOM 0 HD12 ILE A 25 10.993 -6.014 -5.608 1.00 1.56 H new ATOM 0 HD13 ILE A 25 11.200 -7.482 -6.592 1.00 1.56 H new ATOM 348 N ASN A 26 11.039 -10.497 -2.568 1.00 0.98 N ATOM 349 CA ASN A 26 11.775 -10.952 -1.393 1.00 1.08 C ATOM 350 C ASN A 26 12.993 -11.769 -1.808 1.00 1.12 C ATOM 351 O ASN A 26 14.076 -11.622 -1.240 1.00 1.20 O ATOM 352 CB ASN A 26 10.869 -11.784 -0.478 1.00 1.15 C ATOM 353 CG ASN A 26 11.597 -12.316 0.745 1.00 1.48 C ATOM 354 OD1 ASN A 26 12.168 -13.406 0.720 1.00 1.96 O ATOM 355 ND2 ASN A 26 11.581 -11.551 1.826 1.00 2.02 N ATOM 0 H ASN A 26 10.080 -10.841 -2.624 1.00 0.98 H new ATOM 0 HA ASN A 26 12.114 -10.074 -0.843 1.00 1.08 H new ATOM 0 HB2 ASN A 26 10.026 -11.173 -0.156 1.00 1.15 H new ATOM 0 HB3 ASN A 26 10.459 -12.621 -1.044 1.00 1.15 H new ATOM 0 HD21 ASN A 26 12.053 -11.859 2.676 1.00 2.02 H new ATOM 0 HD22 ASN A 26 11.097 -10.653 1.808 1.00 2.02 H new ATOM 362 N GLY A 27 12.812 -12.604 -2.829 1.00 1.12 N ATOM 363 CA GLY A 27 13.890 -13.448 -3.312 1.00 1.20 C ATOM 364 C GLY A 27 15.015 -12.654 -3.953 1.00 1.23 C ATOM 365 O GLY A 27 16.107 -13.177 -4.172 1.00 1.36 O ATOM 0 H GLY A 27 11.931 -12.710 -3.332 1.00 1.12 H new ATOM 0 HA2 GLY A 27 14.289 -14.031 -2.482 1.00 1.20 H new ATOM 0 HA3 GLY A 27 13.493 -14.158 -4.038 1.00 1.20 H new ATOM 369 N LEU A 28 14.753 -11.390 -4.253 1.00 1.16 N ATOM 370 CA LEU A 28 15.756 -10.526 -4.863 1.00 1.22 C ATOM 371 C LEU A 28 16.592 -9.835 -3.793 1.00 1.28 C ATOM 372 O LEU A 28 17.636 -9.255 -4.086 1.00 1.42 O ATOM 373 CB LEU A 28 15.089 -9.474 -5.755 1.00 1.18 C ATOM 374 CG LEU A 28 14.240 -10.029 -6.900 1.00 1.39 C ATOM 375 CD1 LEU A 28 13.634 -8.893 -7.709 1.00 1.69 C ATOM 376 CD2 LEU A 28 15.073 -10.935 -7.792 1.00 1.81 C ATOM 0 H LEU A 28 13.854 -10.939 -4.084 1.00 1.16 H new ATOM 0 HA LEU A 28 16.409 -11.148 -5.475 1.00 1.22 H new ATOM 0 HB2 LEU A 28 14.458 -8.840 -5.131 1.00 1.18 H new ATOM 0 HB3 LEU A 28 15.865 -8.835 -6.177 1.00 1.18 H new ATOM 0 HG LEU A 28 13.429 -10.620 -6.474 1.00 1.39 H new ATOM 0 HD11 LEU A 28 13.033 -9.304 -8.520 1.00 1.69 H new ATOM 0 HD12 LEU A 28 13.003 -8.283 -7.063 1.00 1.69 H new ATOM 0 HD13 LEU A 28 14.431 -8.277 -8.125 1.00 1.69 H new ATOM 0 HD21 LEU A 28 14.452 -11.320 -8.601 1.00 1.81 H new ATOM 0 HD22 LEU A 28 15.904 -10.368 -8.211 1.00 1.81 H new ATOM 0 HD23 LEU A 28 15.461 -11.767 -7.205 1.00 1.81 H new ATOM 388 N TYR A 29 16.134 -9.905 -2.551 1.00 1.22 N ATOM 389 CA TYR A 29 16.808 -9.233 -1.451 1.00 1.31 C ATOM 390 C TYR A 29 17.045 -10.183 -0.286 1.00 1.58 C ATOM 391 O TYR A 29 16.817 -9.828 0.870 1.00 2.30 O ATOM 392 CB TYR A 29 15.993 -8.032 -0.974 1.00 1.13 C ATOM 393 CG TYR A 29 16.041 -6.833 -1.899 1.00 0.94 C ATOM 394 CD1 TYR A 29 15.259 -6.774 -3.045 1.00 0.91 C ATOM 395 CD2 TYR A 29 16.870 -5.758 -1.613 1.00 0.90 C ATOM 396 CE1 TYR A 29 15.306 -5.674 -3.883 1.00 0.87 C ATOM 397 CE2 TYR A 29 16.922 -4.655 -2.443 1.00 0.84 C ATOM 398 CZ TYR A 29 16.137 -4.617 -3.578 1.00 0.85 C ATOM 399 OH TYR A 29 16.185 -3.521 -4.416 1.00 0.96 O ATOM 0 H TYR A 29 15.297 -10.421 -2.280 1.00 1.22 H new ATOM 0 HA TYR A 29 17.774 -8.888 -1.820 1.00 1.31 H new ATOM 0 HB2 TYR A 29 14.954 -8.339 -0.852 1.00 1.13 H new ATOM 0 HB3 TYR A 29 16.354 -7.731 0.009 1.00 1.13 H new ATOM 0 HD1 TYR A 29 14.605 -7.599 -3.286 1.00 0.91 H new ATOM 0 HD2 TYR A 29 17.485 -5.784 -0.726 1.00 0.90 H new ATOM 0 HE1 TYR A 29 14.694 -5.644 -4.772 1.00 0.87 H new ATOM 0 HE2 TYR A 29 17.573 -3.827 -2.205 1.00 0.84 H new ATOM 0 HH TYR A 29 15.317 -3.407 -4.856 1.00 0.96 H new ATOM 409 N ILE A 30 17.544 -11.368 -0.591 1.00 1.25 N ATOM 410 CA ILE A 30 17.799 -12.387 0.427 1.00 1.45 C ATOM 411 C ILE A 30 18.946 -11.962 1.342 1.00 1.45 C ATOM 412 O ILE A 30 18.928 -12.226 2.546 1.00 1.99 O ATOM 413 CB ILE A 30 18.124 -13.754 -0.220 1.00 1.67 C ATOM 414 CG1 ILE A 30 16.927 -14.260 -1.034 1.00 1.88 C ATOM 415 CG2 ILE A 30 18.516 -14.783 0.834 1.00 1.89 C ATOM 416 CD1 ILE A 30 15.670 -14.466 -0.211 1.00 2.50 C ATOM 0 H ILE A 30 17.784 -11.655 -1.540 1.00 1.25 H new ATOM 0 HA ILE A 30 16.891 -12.492 1.021 1.00 1.45 H new ATOM 0 HB ILE A 30 18.973 -13.614 -0.890 1.00 1.67 H new ATOM 0 HG12 ILE A 30 16.715 -13.548 -1.832 1.00 1.88 H new ATOM 0 HG13 ILE A 30 17.196 -15.202 -1.511 1.00 1.88 H new ATOM 0 HG21 ILE A 30 18.739 -15.734 0.349 1.00 1.89 H new ATOM 0 HG22 ILE A 30 19.398 -14.435 1.372 1.00 1.89 H new ATOM 0 HG23 ILE A 30 17.692 -14.917 1.535 1.00 1.89 H new ATOM 0 HD11 ILE A 30 14.868 -14.824 -0.856 1.00 2.50 H new ATOM 0 HD12 ILE A 30 15.863 -15.201 0.571 1.00 2.50 H new ATOM 0 HD13 ILE A 30 15.375 -13.521 0.245 1.00 2.50 H new ATOM 428 N GLY A 31 19.925 -11.273 0.772 1.00 1.43 N ATOM 429 CA GLY A 31 21.068 -10.827 1.546 1.00 1.69 C ATOM 430 C GLY A 31 20.792 -9.541 2.298 1.00 1.52 C ATOM 431 O GLY A 31 21.647 -9.045 3.033 1.00 1.93 O ATOM 0 H GLY A 31 19.949 -11.014 -0.214 1.00 1.43 H new ATOM 0 HA2 GLY A 31 21.349 -11.606 2.255 1.00 1.69 H new ATOM 0 HA3 GLY A 31 21.919 -10.680 0.880 1.00 1.69 H new ATOM 435 N GLN A 32 19.594 -9.004 2.123 1.00 1.16 N ATOM 436 CA GLN A 32 19.209 -7.762 2.769 1.00 1.10 C ATOM 437 C GLN A 32 18.262 -8.042 3.927 1.00 1.14 C ATOM 438 O GLN A 32 17.184 -8.603 3.742 1.00 1.93 O ATOM 439 CB GLN A 32 18.556 -6.798 1.771 1.00 1.09 C ATOM 440 CG GLN A 32 19.544 -6.078 0.858 1.00 1.38 C ATOM 441 CD GLN A 32 20.255 -6.990 -0.130 1.00 2.15 C ATOM 442 OE1 GLN A 32 19.560 -8.007 -0.612 1.00 2.74 O flip ATOM 443 NE2 GLN A 32 21.411 -6.761 -0.480 1.00 2.84 N flip ATOM 0 H GLN A 32 18.869 -9.414 1.535 1.00 1.16 H new ATOM 0 HA GLN A 32 20.112 -7.288 3.155 1.00 1.10 H new ATOM 0 HB2 GLN A 32 17.849 -7.354 1.156 1.00 1.09 H new ATOM 0 HB3 GLN A 32 17.982 -6.055 2.324 1.00 1.09 H new ATOM 0 HG2 GLN A 32 19.013 -5.304 0.304 1.00 1.38 H new ATOM 0 HG3 GLN A 32 20.290 -5.575 1.473 1.00 1.38 H new ATOM 0 HE21 GLN A 32 21.915 -5.967 -0.086 1.00 2.84 H new ATOM 0 HE22 GLN A 32 21.866 -7.365 -1.164 1.00 2.84 H new ATOM 452 N THR A 33 18.676 -7.649 5.118 1.00 1.15 N ATOM 453 CA THR A 33 17.896 -7.891 6.322 1.00 1.20 C ATOM 454 C THR A 33 16.767 -6.873 6.447 1.00 1.09 C ATOM 455 O THR A 33 15.654 -7.202 6.862 1.00 1.21 O ATOM 456 CB THR A 33 18.796 -7.818 7.571 1.00 1.54 C ATOM 457 OG1 THR A 33 19.976 -8.604 7.362 1.00 1.91 O ATOM 458 CG2 THR A 33 18.062 -8.327 8.803 1.00 1.83 C ATOM 0 H THR A 33 19.555 -7.157 5.279 1.00 1.15 H new ATOM 0 HA THR A 33 17.465 -8.890 6.249 1.00 1.20 H new ATOM 0 HB THR A 33 19.068 -6.775 7.735 1.00 1.54 H new ATOM 0 HG1 THR A 33 20.547 -8.554 8.157 1.00 1.91 H new ATOM 0 HG21 THR A 33 18.720 -8.265 9.670 1.00 1.83 H new ATOM 0 HG22 THR A 33 17.175 -7.718 8.976 1.00 1.83 H new ATOM 0 HG23 THR A 33 17.765 -9.364 8.647 1.00 1.83 H new ATOM 466 N SER A 34 17.060 -5.644 6.064 1.00 1.12 N ATOM 467 CA SER A 34 16.111 -4.556 6.194 1.00 1.35 C ATOM 468 C SER A 34 15.922 -3.837 4.864 1.00 1.13 C ATOM 469 O SER A 34 15.268 -2.796 4.803 1.00 1.18 O ATOM 470 CB SER A 34 16.604 -3.583 7.262 1.00 1.82 C ATOM 471 OG SER A 34 17.989 -3.315 7.095 1.00 2.42 O ATOM 0 H SER A 34 17.956 -5.374 5.657 1.00 1.12 H new ATOM 0 HA SER A 34 15.144 -4.962 6.492 1.00 1.35 H new ATOM 0 HB2 SER A 34 16.039 -2.653 7.203 1.00 1.82 H new ATOM 0 HB3 SER A 34 16.426 -4.002 8.253 1.00 1.82 H new ATOM 0 HG SER A 34 18.105 -2.423 6.707 1.00 2.42 H new ATOM 477 N TYR A 35 16.502 -4.406 3.801 1.00 0.96 N ATOM 478 CA TYR A 35 16.425 -3.822 2.460 1.00 0.78 C ATOM 479 C TYR A 35 17.033 -2.414 2.457 1.00 0.74 C ATOM 480 O TYR A 35 16.666 -1.568 1.640 1.00 0.68 O ATOM 481 CB TYR A 35 14.965 -3.768 1.974 1.00 0.90 C ATOM 482 CG TYR A 35 14.228 -5.093 2.021 1.00 0.97 C ATOM 483 CD1 TYR A 35 13.589 -5.517 3.183 1.00 0.97 C ATOM 484 CD2 TYR A 35 14.166 -5.913 0.905 1.00 1.27 C ATOM 485 CE1 TYR A 35 12.916 -6.723 3.227 1.00 1.12 C ATOM 486 CE2 TYR A 35 13.494 -7.119 0.943 1.00 1.37 C ATOM 487 CZ TYR A 35 12.874 -7.519 2.104 1.00 1.23 C ATOM 488 OH TYR A 35 12.205 -8.720 2.139 1.00 1.41 O ATOM 0 H TYR A 35 17.033 -5.276 3.846 1.00 0.96 H new ATOM 0 HA TYR A 35 16.994 -4.454 1.778 1.00 0.78 H new ATOM 0 HB2 TYR A 35 14.421 -3.045 2.582 1.00 0.90 H new ATOM 0 HB3 TYR A 35 14.952 -3.397 0.949 1.00 0.90 H new ATOM 0 HD1 TYR A 35 13.620 -4.893 4.064 1.00 0.97 H new ATOM 0 HD2 TYR A 35 14.651 -5.604 -0.009 1.00 1.27 H new ATOM 0 HE1 TYR A 35 12.426 -7.039 4.136 1.00 1.12 H new ATOM 0 HE2 TYR A 35 13.455 -7.746 0.064 1.00 1.37 H new ATOM 0 HH TYR A 35 11.463 -8.663 2.777 1.00 1.41 H new ATOM 498 N SER A 36 18.010 -2.192 3.338 1.00 0.89 N ATOM 499 CA SER A 36 18.554 -0.858 3.582 1.00 1.03 C ATOM 500 C SER A 36 19.405 -0.332 2.430 1.00 1.25 C ATOM 501 O SER A 36 19.994 0.745 2.524 1.00 2.03 O ATOM 502 CB SER A 36 19.346 -0.843 4.889 1.00 1.37 C ATOM 503 OG SER A 36 18.463 -0.907 5.999 1.00 2.08 O ATOM 0 H SER A 36 18.443 -2.927 3.898 1.00 0.89 H new ATOM 0 HA SER A 36 17.703 -0.182 3.663 1.00 1.03 H new ATOM 0 HB2 SER A 36 20.035 -1.687 4.914 1.00 1.37 H new ATOM 0 HB3 SER A 36 19.949 0.063 4.947 1.00 1.37 H new ATOM 0 HG SER A 36 17.741 -0.255 5.881 1.00 2.08 H new ATOM 509 N GLY A 37 19.457 -1.075 1.337 1.00 1.42 N ATOM 510 CA GLY A 37 20.084 -0.561 0.141 1.00 1.83 C ATOM 511 C GLY A 37 19.203 0.476 -0.531 1.00 1.52 C ATOM 512 O GLY A 37 19.641 1.206 -1.419 1.00 1.88 O ATOM 0 H GLY A 37 19.079 -2.019 1.257 1.00 1.42 H new ATOM 0 HA2 GLY A 37 21.047 -0.117 0.393 1.00 1.83 H new ATOM 0 HA3 GLY A 37 20.281 -1.380 -0.551 1.00 1.83 H new ATOM 516 N LEU A 38 17.951 0.550 -0.087 1.00 0.95 N ATOM 517 CA LEU A 38 16.978 1.444 -0.699 1.00 0.77 C ATOM 518 C LEU A 38 16.653 2.648 0.188 1.00 0.68 C ATOM 519 O LEU A 38 16.559 3.767 -0.313 1.00 0.66 O ATOM 520 CB LEU A 38 15.690 0.682 -1.022 1.00 0.68 C ATOM 521 CG LEU A 38 15.855 -0.523 -1.950 1.00 0.87 C ATOM 522 CD1 LEU A 38 14.520 -1.218 -2.158 1.00 1.11 C ATOM 523 CD2 LEU A 38 16.448 -0.094 -3.284 1.00 1.19 C ATOM 0 H LEU A 38 17.589 0.002 0.693 1.00 0.95 H new ATOM 0 HA LEU A 38 17.427 1.822 -1.617 1.00 0.77 H new ATOM 0 HB2 LEU A 38 15.246 0.341 -0.087 1.00 0.68 H new ATOM 0 HB3 LEU A 38 14.982 1.375 -1.477 1.00 0.68 H new ATOM 0 HG LEU A 38 16.542 -1.228 -1.481 1.00 0.87 H new ATOM 0 HD11 LEU A 38 14.654 -2.073 -2.820 1.00 1.11 H new ATOM 0 HD12 LEU A 38 14.134 -1.560 -1.198 1.00 1.11 H new ATOM 0 HD13 LEU A 38 13.812 -0.520 -2.605 1.00 1.11 H new ATOM 0 HD21 LEU A 38 16.558 -0.965 -3.930 1.00 1.19 H new ATOM 0 HD22 LEU A 38 15.787 0.630 -3.760 1.00 1.19 H new ATOM 0 HD23 LEU A 38 17.425 0.360 -3.119 1.00 1.19 H new ATOM 535 N ASP A 39 16.496 2.434 1.500 1.00 0.76 N ATOM 536 CA ASP A 39 15.979 3.492 2.385 1.00 0.85 C ATOM 537 C ASP A 39 16.838 4.747 2.350 1.00 0.82 C ATOM 538 O ASP A 39 16.337 5.826 2.051 1.00 0.90 O ATOM 539 CB ASP A 39 15.780 3.014 3.841 1.00 1.08 C ATOM 540 CG ASP A 39 17.007 2.390 4.495 1.00 1.59 C ATOM 541 OD1 ASP A 39 17.999 3.107 4.757 1.00 1.84 O ATOM 542 OD2 ASP A 39 16.961 1.181 4.786 1.00 2.42 O ATOM 0 H ASP A 39 16.714 1.555 1.969 1.00 0.76 H new ATOM 0 HA ASP A 39 14.996 3.745 1.987 1.00 0.85 H new ATOM 0 HB2 ASP A 39 15.460 3.863 4.444 1.00 1.08 H new ATOM 0 HB3 ASP A 39 14.969 2.286 3.859 1.00 1.08 H new ATOM 547 N SER A 40 18.120 4.608 2.629 1.00 0.82 N ATOM 548 CA SER A 40 19.020 5.748 2.671 1.00 0.94 C ATOM 549 C SER A 40 19.135 6.398 1.294 1.00 0.89 C ATOM 550 O SER A 40 19.249 7.620 1.183 1.00 1.00 O ATOM 551 CB SER A 40 20.391 5.303 3.182 1.00 1.13 C ATOM 552 OG SER A 40 20.270 4.638 4.434 1.00 1.71 O ATOM 0 H SER A 40 18.565 3.713 2.831 1.00 0.82 H new ATOM 0 HA SER A 40 18.616 6.494 3.355 1.00 0.94 H new ATOM 0 HB2 SER A 40 20.857 4.638 2.455 1.00 1.13 H new ATOM 0 HB3 SER A 40 21.044 6.169 3.286 1.00 1.13 H new ATOM 0 HG SER A 40 19.428 4.138 4.459 1.00 1.71 H new ATOM 558 N THR A 41 19.054 5.576 0.255 1.00 0.81 N ATOM 559 CA THR A 41 19.156 6.048 -1.118 1.00 0.85 C ATOM 560 C THR A 41 18.004 6.995 -1.469 1.00 0.79 C ATOM 561 O THR A 41 18.208 8.027 -2.117 1.00 0.95 O ATOM 562 CB THR A 41 19.166 4.855 -2.093 1.00 0.92 C ATOM 563 OG1 THR A 41 20.105 3.868 -1.637 1.00 1.25 O ATOM 564 CG2 THR A 41 19.539 5.300 -3.501 1.00 1.38 C ATOM 0 H THR A 41 18.916 4.569 0.341 1.00 0.81 H new ATOM 0 HA THR A 41 20.092 6.599 -1.211 1.00 0.85 H new ATOM 0 HB THR A 41 18.163 4.429 -2.122 1.00 0.92 H new ATOM 0 HG1 THR A 41 19.683 2.983 -1.653 1.00 1.25 H new ATOM 0 HG21 THR A 41 19.538 4.437 -4.167 1.00 1.38 H new ATOM 0 HG22 THR A 41 18.814 6.033 -3.855 1.00 1.38 H new ATOM 0 HG23 THR A 41 20.532 5.749 -3.490 1.00 1.38 H new ATOM 572 N ILE A 42 16.799 6.652 -1.031 1.00 0.67 N ATOM 573 CA ILE A 42 15.622 7.477 -1.296 1.00 0.67 C ATOM 574 C ILE A 42 15.503 8.591 -0.257 1.00 0.64 C ATOM 575 O ILE A 42 15.044 9.695 -0.558 1.00 0.68 O ATOM 576 CB ILE A 42 14.330 6.627 -1.296 1.00 0.73 C ATOM 577 CG1 ILE A 42 14.435 5.486 -2.314 1.00 0.82 C ATOM 578 CG2 ILE A 42 13.110 7.492 -1.596 1.00 0.78 C ATOM 579 CD1 ILE A 42 14.672 5.953 -3.737 1.00 0.87 C ATOM 0 H ILE A 42 16.609 5.808 -0.490 1.00 0.67 H new ATOM 0 HA ILE A 42 15.746 7.919 -2.285 1.00 0.67 H new ATOM 0 HB ILE A 42 14.210 6.197 -0.302 1.00 0.73 H new ATOM 0 HG12 ILE A 42 15.248 4.823 -2.019 1.00 0.82 H new ATOM 0 HG13 ILE A 42 13.517 4.899 -2.283 1.00 0.82 H new ATOM 0 HG21 ILE A 42 12.214 6.872 -1.590 1.00 0.78 H new ATOM 0 HG22 ILE A 42 13.019 8.268 -0.836 1.00 0.78 H new ATOM 0 HG23 ILE A 42 13.225 7.955 -2.576 1.00 0.78 H new ATOM 0 HD11 ILE A 42 14.735 5.089 -4.398 1.00 0.87 H new ATOM 0 HD12 ILE A 42 13.847 6.592 -4.052 1.00 0.87 H new ATOM 0 HD13 ILE A 42 15.605 6.515 -3.785 1.00 0.87 H new ATOM 591 N LEU A 43 15.943 8.293 0.958 1.00 0.64 N ATOM 592 CA LEU A 43 15.889 9.241 2.066 1.00 0.70 C ATOM 593 C LEU A 43 16.587 10.550 1.706 1.00 0.75 C ATOM 594 O LEU A 43 15.999 11.625 1.802 1.00 0.75 O ATOM 595 CB LEU A 43 16.553 8.623 3.298 1.00 0.85 C ATOM 596 CG LEU A 43 16.388 9.408 4.596 1.00 1.07 C ATOM 597 CD1 LEU A 43 14.930 9.419 5.032 1.00 1.20 C ATOM 598 CD2 LEU A 43 17.269 8.816 5.682 1.00 1.43 C ATOM 0 H LEU A 43 16.347 7.389 1.205 1.00 0.64 H new ATOM 0 HA LEU A 43 14.843 9.462 2.280 1.00 0.70 H new ATOM 0 HB2 LEU A 43 16.147 7.622 3.445 1.00 0.85 H new ATOM 0 HB3 LEU A 43 17.618 8.508 3.096 1.00 0.85 H new ATOM 0 HG LEU A 43 16.698 10.439 4.423 1.00 1.07 H new ATOM 0 HD11 LEU A 43 14.832 9.983 5.959 1.00 1.20 H new ATOM 0 HD12 LEU A 43 14.322 9.886 4.257 1.00 1.20 H new ATOM 0 HD13 LEU A 43 14.590 8.396 5.192 1.00 1.20 H new ATOM 0 HD21 LEU A 43 17.143 9.385 6.603 1.00 1.43 H new ATOM 0 HD22 LEU A 43 16.986 7.778 5.855 1.00 1.43 H new ATOM 0 HD23 LEU A 43 18.312 8.860 5.369 1.00 1.43 H new ATOM 610 N LEU A 44 17.837 10.450 1.273 1.00 0.85 N ATOM 611 CA LEU A 44 18.621 11.633 0.927 1.00 0.98 C ATOM 612 C LEU A 44 18.208 12.197 -0.431 1.00 0.92 C ATOM 613 O LEU A 44 18.606 13.301 -0.801 1.00 1.03 O ATOM 614 CB LEU A 44 20.123 11.305 0.957 1.00 1.19 C ATOM 615 CG LEU A 44 20.584 10.111 0.100 1.00 1.33 C ATOM 616 CD1 LEU A 44 20.698 10.484 -1.374 1.00 1.54 C ATOM 617 CD2 LEU A 44 21.911 9.574 0.614 1.00 1.66 C ATOM 0 H LEU A 44 18.331 9.565 1.153 1.00 0.85 H new ATOM 0 HA LEU A 44 18.421 12.403 1.672 1.00 0.98 H new ATOM 0 HB2 LEU A 44 20.672 12.189 0.633 1.00 1.19 H new ATOM 0 HB3 LEU A 44 20.410 11.113 1.991 1.00 1.19 H new ATOM 0 HG LEU A 44 19.827 9.332 0.185 1.00 1.33 H new ATOM 0 HD11 LEU A 44 21.026 9.615 -1.945 1.00 1.54 H new ATOM 0 HD12 LEU A 44 19.727 10.815 -1.742 1.00 1.54 H new ATOM 0 HD13 LEU A 44 21.423 11.289 -1.490 1.00 1.54 H new ATOM 0 HD21 LEU A 44 22.225 8.730 -0.001 1.00 1.66 H new ATOM 0 HD22 LEU A 44 22.665 10.360 0.565 1.00 1.66 H new ATOM 0 HD23 LEU A 44 21.795 9.247 1.647 1.00 1.66 H new ATOM 629 N ASN A 45 17.404 11.435 -1.157 1.00 0.84 N ATOM 630 CA ASN A 45 16.972 11.820 -2.497 1.00 0.91 C ATOM 631 C ASN A 45 15.996 12.988 -2.452 1.00 0.88 C ATOM 632 O ASN A 45 16.144 13.956 -3.196 1.00 1.02 O ATOM 633 CB ASN A 45 16.308 10.633 -3.201 1.00 1.01 C ATOM 634 CG ASN A 45 15.782 10.979 -4.584 1.00 1.17 C ATOM 635 OD1 ASN A 45 16.611 10.799 -5.601 1.00 1.88 O flip ATOM 636 ND2 ASN A 45 14.631 11.389 -4.740 1.00 1.32 N flip ATOM 0 H ASN A 45 17.034 10.539 -0.840 1.00 0.84 H new ATOM 0 HA ASN A 45 17.858 12.129 -3.052 1.00 0.91 H new ATOM 0 HB2 ASN A 45 17.028 9.819 -3.286 1.00 1.01 H new ATOM 0 HB3 ASN A 45 15.485 10.268 -2.587 1.00 1.01 H new ATOM 0 HD21 ASN A 45 14.021 11.515 -3.932 1.00 1.32 H new ATOM 0 HD22 ASN A 45 14.288 11.602 -5.677 1.00 1.32 H new ATOM 643 N THR A 46 14.996 12.897 -1.588 1.00 0.79 N ATOM 644 CA THR A 46 13.956 13.910 -1.547 1.00 0.85 C ATOM 645 C THR A 46 13.895 14.609 -0.194 1.00 0.79 C ATOM 646 O THR A 46 13.301 14.091 0.742 1.00 0.68 O ATOM 647 CB THR A 46 12.576 13.289 -1.844 1.00 0.93 C ATOM 648 OG1 THR A 46 12.652 12.464 -3.013 1.00 1.15 O ATOM 649 CG2 THR A 46 11.526 14.368 -2.056 1.00 1.12 C ATOM 0 H THR A 46 14.884 12.140 -0.913 1.00 0.79 H new ATOM 0 HA THR A 46 14.207 14.645 -2.311 1.00 0.85 H new ATOM 0 HB THR A 46 12.286 12.684 -0.985 1.00 0.93 H new ATOM 0 HG1 THR A 46 11.772 12.072 -3.194 1.00 1.15 H new ATOM 0 HG21 THR A 46 10.563 13.902 -2.264 1.00 1.12 H new ATOM 0 HG22 THR A 46 11.447 14.980 -1.158 1.00 1.12 H new ATOM 0 HG23 THR A 46 11.815 14.996 -2.899 1.00 1.12 H new ATOM 657 N SER A 47 14.538 15.773 -0.099 1.00 0.97 N ATOM 658 CA SER A 47 14.381 16.679 1.044 1.00 1.13 C ATOM 659 C SER A 47 14.586 15.986 2.401 1.00 1.06 C ATOM 660 O SER A 47 14.014 16.412 3.408 1.00 1.32 O ATOM 661 CB SER A 47 12.991 17.305 0.980 1.00 1.29 C ATOM 662 OG SER A 47 12.787 17.942 -0.272 1.00 1.87 O ATOM 0 H SER A 47 15.183 16.116 -0.811 1.00 0.97 H new ATOM 0 HA SER A 47 15.157 17.441 0.973 1.00 1.13 H new ATOM 0 HB2 SER A 47 12.233 16.536 1.131 1.00 1.29 H new ATOM 0 HB3 SER A 47 12.875 18.030 1.786 1.00 1.29 H new ATOM 0 HG SER A 47 11.890 18.336 -0.296 1.00 1.87 H new ATOM 668 N ALA A 48 15.394 14.918 2.409 1.00 0.92 N ATOM 669 CA ALA A 48 15.705 14.155 3.627 1.00 0.97 C ATOM 670 C ALA A 48 14.495 13.365 4.138 1.00 0.88 C ATOM 671 O ALA A 48 14.612 12.586 5.086 1.00 1.00 O ATOM 672 CB ALA A 48 16.257 15.062 4.721 1.00 1.22 C ATOM 0 H ALA A 48 15.851 14.558 1.571 1.00 0.92 H new ATOM 0 HA ALA A 48 16.476 13.433 3.358 1.00 0.97 H new ATOM 0 HB1 ALA A 48 16.477 14.469 5.609 1.00 1.22 H new ATOM 0 HB2 ALA A 48 17.170 15.542 4.369 1.00 1.22 H new ATOM 0 HB3 ALA A 48 15.519 15.825 4.968 1.00 1.22 H new ATOM 678 N ILE A 49 13.346 13.574 3.505 1.00 0.78 N ATOM 679 CA ILE A 49 12.117 12.858 3.834 1.00 0.75 C ATOM 680 C ILE A 49 11.332 12.589 2.553 1.00 0.62 C ATOM 681 O ILE A 49 10.815 13.520 1.933 1.00 0.65 O ATOM 682 CB ILE A 49 11.216 13.649 4.816 1.00 0.86 C ATOM 683 CG1 ILE A 49 11.941 13.891 6.143 1.00 1.17 C ATOM 684 CG2 ILE A 49 9.904 12.907 5.052 1.00 0.95 C ATOM 685 CD1 ILE A 49 11.109 14.641 7.162 1.00 1.93 C ATOM 0 H ILE A 49 13.239 14.247 2.746 1.00 0.78 H new ATOM 0 HA ILE A 49 12.404 11.926 4.321 1.00 0.75 H new ATOM 0 HB ILE A 49 10.991 14.617 4.369 1.00 0.86 H new ATOM 0 HG12 ILE A 49 12.238 12.931 6.565 1.00 1.17 H new ATOM 0 HG13 ILE A 49 12.856 14.451 5.950 1.00 1.17 H new ATOM 0 HG21 ILE A 49 9.283 13.476 5.744 1.00 0.95 H new ATOM 0 HG22 ILE A 49 9.377 12.789 4.105 1.00 0.95 H new ATOM 0 HG23 ILE A 49 10.113 11.925 5.476 1.00 0.95 H new ATOM 0 HD11 ILE A 49 11.687 14.776 8.076 1.00 1.93 H new ATOM 0 HD12 ILE A 49 10.833 15.616 6.760 1.00 1.93 H new ATOM 0 HD13 ILE A 49 10.206 14.072 7.384 1.00 1.93 H new ATOM 697 N PRO A 50 11.257 11.318 2.136 1.00 0.57 N ATOM 698 CA PRO A 50 10.596 10.924 0.886 1.00 0.52 C ATOM 699 C PRO A 50 9.146 11.401 0.811 1.00 0.53 C ATOM 700 O PRO A 50 8.277 10.910 1.528 1.00 0.53 O ATOM 701 CB PRO A 50 10.669 9.394 0.906 1.00 0.54 C ATOM 702 CG PRO A 50 11.799 9.075 1.822 1.00 0.66 C ATOM 703 CD PRO A 50 11.806 10.159 2.858 1.00 0.68 C ATOM 0 HA PRO A 50 11.077 11.370 0.016 1.00 0.52 H new ATOM 0 HB2 PRO A 50 9.736 8.959 1.264 1.00 0.54 H new ATOM 0 HB3 PRO A 50 10.845 8.994 -0.093 1.00 0.54 H new ATOM 0 HG2 PRO A 50 11.665 8.096 2.282 1.00 0.66 H new ATOM 0 HG3 PRO A 50 12.745 9.046 1.281 1.00 0.66 H new ATOM 0 HD2 PRO A 50 11.194 9.895 3.721 1.00 0.68 H new ATOM 0 HD3 PRO A 50 12.812 10.355 3.229 1.00 0.68 H new ATOM 711 N ASP A 51 8.904 12.363 -0.068 1.00 0.59 N ATOM 712 CA ASP A 51 7.581 12.960 -0.237 1.00 0.63 C ATOM 713 C ASP A 51 6.673 12.056 -1.068 1.00 0.52 C ATOM 714 O ASP A 51 5.462 12.263 -1.151 1.00 0.54 O ATOM 715 CB ASP A 51 7.715 14.334 -0.900 1.00 0.84 C ATOM 716 CG ASP A 51 6.377 14.996 -1.152 1.00 1.30 C ATOM 717 OD1 ASP A 51 5.763 15.497 -0.190 1.00 1.86 O ATOM 718 OD2 ASP A 51 5.934 15.022 -2.320 1.00 2.04 O ATOM 0 H ASP A 51 9.616 12.753 -0.685 1.00 0.59 H new ATOM 0 HA ASP A 51 7.126 13.078 0.747 1.00 0.63 H new ATOM 0 HB2 ASP A 51 8.322 14.981 -0.266 1.00 0.84 H new ATOM 0 HB3 ASP A 51 8.246 14.226 -1.846 1.00 0.84 H new ATOM 723 N ASN A 52 7.273 11.031 -1.661 1.00 0.47 N ATOM 724 CA ASN A 52 6.568 10.130 -2.569 1.00 0.49 C ATOM 725 C ASN A 52 5.482 9.351 -1.843 1.00 0.43 C ATOM 726 O ASN A 52 4.632 8.738 -2.474 1.00 0.56 O ATOM 727 CB ASN A 52 7.547 9.154 -3.230 1.00 0.59 C ATOM 728 CG ASN A 52 8.309 8.318 -2.221 1.00 1.32 C ATOM 729 OD1 ASN A 52 9.378 8.707 -1.764 1.00 2.22 O ATOM 730 ND2 ASN A 52 7.770 7.159 -1.871 1.00 1.84 N ATOM 0 H ASN A 52 8.258 10.800 -1.528 1.00 0.47 H new ATOM 0 HA ASN A 52 6.098 10.743 -3.338 1.00 0.49 H new ATOM 0 HB2 ASN A 52 6.998 8.494 -3.902 1.00 0.59 H new ATOM 0 HB3 ASN A 52 8.255 9.714 -3.841 1.00 0.59 H new ATOM 0 HD21 ASN A 52 8.247 6.557 -1.200 1.00 1.84 H new ATOM 0 HD22 ASN A 52 6.878 6.869 -2.273 1.00 1.84 H new ATOM 737 N TYR A 53 5.511 9.392 -0.519 1.00 0.39 N ATOM 738 CA TYR A 53 4.547 8.674 0.308 1.00 0.52 C ATOM 739 C TYR A 53 3.124 9.168 0.069 1.00 0.56 C ATOM 740 O TYR A 53 2.154 8.453 0.313 1.00 0.83 O ATOM 741 CB TYR A 53 4.901 8.854 1.783 1.00 0.66 C ATOM 742 CG TYR A 53 6.264 8.325 2.168 1.00 0.63 C ATOM 743 CD1 TYR A 53 6.880 7.329 1.427 1.00 0.67 C ATOM 744 CD2 TYR A 53 6.927 8.809 3.287 1.00 0.67 C ATOM 745 CE1 TYR A 53 8.109 6.826 1.785 1.00 0.73 C ATOM 746 CE2 TYR A 53 8.164 8.316 3.652 1.00 0.67 C ATOM 747 CZ TYR A 53 8.748 7.320 2.899 1.00 0.70 C ATOM 748 OH TYR A 53 9.970 6.819 3.266 1.00 0.79 O ATOM 0 H TYR A 53 6.201 9.922 0.013 1.00 0.39 H new ATOM 0 HA TYR A 53 4.593 7.620 0.035 1.00 0.52 H new ATOM 0 HB2 TYR A 53 4.854 9.915 2.028 1.00 0.66 H new ATOM 0 HB3 TYR A 53 4.146 8.353 2.389 1.00 0.66 H new ATOM 0 HD1 TYR A 53 6.385 6.940 0.550 1.00 0.67 H new ATOM 0 HD2 TYR A 53 6.468 9.584 3.882 1.00 0.67 H new ATOM 0 HE1 TYR A 53 8.570 6.048 1.195 1.00 0.73 H new ATOM 0 HE2 TYR A 53 8.671 8.708 4.522 1.00 0.67 H new ATOM 0 HH TYR A 53 9.844 6.074 3.890 1.00 0.79 H new ATOM 758 N LYS A 54 2.998 10.395 -0.407 1.00 0.46 N ATOM 759 CA LYS A 54 1.692 10.989 -0.612 1.00 0.49 C ATOM 760 C LYS A 54 1.646 11.778 -1.918 1.00 0.52 C ATOM 761 O LYS A 54 2.594 12.486 -2.261 1.00 0.72 O ATOM 762 CB LYS A 54 1.347 11.907 0.565 1.00 0.61 C ATOM 763 CG LYS A 54 2.441 12.916 0.893 1.00 0.85 C ATOM 764 CD LYS A 54 2.065 13.777 2.089 1.00 1.15 C ATOM 765 CE LYS A 54 3.236 14.625 2.566 1.00 1.15 C ATOM 766 NZ LYS A 54 3.698 15.594 1.534 1.00 1.75 N ATOM 0 H LYS A 54 3.783 10.996 -0.658 1.00 0.46 H new ATOM 0 HA LYS A 54 0.958 10.186 -0.674 1.00 0.49 H new ATOM 0 HB2 LYS A 54 0.426 12.444 0.339 1.00 0.61 H new ATOM 0 HB3 LYS A 54 1.152 11.296 1.446 1.00 0.61 H new ATOM 0 HG2 LYS A 54 3.372 12.390 1.101 1.00 0.85 H new ATOM 0 HG3 LYS A 54 2.621 13.553 0.027 1.00 0.85 H new ATOM 0 HD2 LYS A 54 1.231 14.426 1.822 1.00 1.15 H new ATOM 0 HD3 LYS A 54 1.723 13.138 2.903 1.00 1.15 H new ATOM 0 HE2 LYS A 54 2.944 15.168 3.465 1.00 1.15 H new ATOM 0 HE3 LYS A 54 4.064 13.972 2.843 1.00 1.15 H new ATOM 0 HZ1 LYS A 54 4.075 16.444 2.000 1.00 1.75 H new ATOM 0 HZ2 LYS A 54 4.444 15.157 0.956 1.00 1.75 H new ATOM 0 HZ3 LYS A 54 2.898 15.859 0.924 1.00 1.75 H new ATOM 780 N ASP A 55 0.551 11.636 -2.652 1.00 0.48 N ATOM 781 CA ASP A 55 0.328 12.420 -3.862 1.00 0.51 C ATOM 782 C ASP A 55 -0.515 13.644 -3.515 1.00 0.60 C ATOM 783 O ASP A 55 -1.162 13.669 -2.471 1.00 0.72 O ATOM 784 CB ASP A 55 -0.373 11.569 -4.929 1.00 0.49 C ATOM 785 CG ASP A 55 -0.610 12.324 -6.217 1.00 0.90 C ATOM 786 OD1 ASP A 55 0.376 12.658 -6.898 1.00 1.35 O ATOM 787 OD2 ASP A 55 -1.779 12.578 -6.557 1.00 1.29 O ATOM 0 H ASP A 55 -0.200 10.983 -2.431 1.00 0.48 H new ATOM 0 HA ASP A 55 1.287 12.745 -4.266 1.00 0.51 H new ATOM 0 HB2 ASP A 55 0.230 10.685 -5.137 1.00 0.49 H new ATOM 0 HB3 ASP A 55 -1.328 11.218 -4.538 1.00 0.49 H new ATOM 792 N THR A 56 -0.504 14.665 -4.355 1.00 0.67 N ATOM 793 CA THR A 56 -1.274 15.861 -4.062 1.00 0.78 C ATOM 794 C THR A 56 -2.381 16.081 -5.093 1.00 0.75 C ATOM 795 O THR A 56 -3.186 17.003 -4.965 1.00 0.78 O ATOM 796 CB THR A 56 -0.371 17.114 -3.974 1.00 0.98 C ATOM 797 OG1 THR A 56 -1.124 18.236 -3.491 1.00 1.50 O ATOM 798 CG2 THR A 56 0.235 17.454 -5.327 1.00 1.52 C ATOM 0 H THR A 56 0.020 14.691 -5.230 1.00 0.67 H new ATOM 0 HA THR A 56 -1.737 15.706 -3.088 1.00 0.78 H new ATOM 0 HB THR A 56 0.438 16.891 -3.279 1.00 0.98 H new ATOM 0 HG1 THR A 56 -2.019 18.226 -3.891 1.00 1.50 H new ATOM 0 HG21 THR A 56 0.864 18.339 -5.232 1.00 1.52 H new ATOM 0 HG22 THR A 56 0.838 16.616 -5.677 1.00 1.52 H new ATOM 0 HG23 THR A 56 -0.562 17.651 -6.044 1.00 1.52 H new ATOM 806 N THR A 57 -2.432 15.235 -6.111 1.00 0.76 N ATOM 807 CA THR A 57 -3.450 15.376 -7.130 1.00 0.79 C ATOM 808 C THR A 57 -4.619 14.426 -6.869 1.00 0.74 C ATOM 809 O THR A 57 -5.755 14.885 -6.741 1.00 1.04 O ATOM 810 CB THR A 57 -2.867 15.140 -8.534 1.00 0.89 C ATOM 811 OG1 THR A 57 -1.726 15.990 -8.729 1.00 1.00 O ATOM 812 CG2 THR A 57 -3.900 15.435 -9.611 1.00 1.05 C ATOM 0 H THR A 57 -1.789 14.456 -6.249 1.00 0.76 H new ATOM 0 HA THR A 57 -3.823 16.399 -7.086 1.00 0.79 H new ATOM 0 HB THR A 57 -2.573 14.093 -8.611 1.00 0.89 H new ATOM 0 HG1 THR A 57 -1.354 15.838 -9.623 1.00 1.00 H new ATOM 0 HG21 THR A 57 -3.461 15.260 -10.593 1.00 1.05 H new ATOM 0 HG22 THR A 57 -4.762 14.782 -9.477 1.00 1.05 H new ATOM 0 HG23 THR A 57 -4.218 16.475 -9.535 1.00 1.05 H new ATOM 820 N ASN A 58 -4.323 13.121 -6.738 1.00 0.65 N ATOM 821 CA ASN A 58 -5.346 12.096 -6.458 1.00 0.70 C ATOM 822 C ASN A 58 -4.840 10.678 -6.731 1.00 0.59 C ATOM 823 O ASN A 58 -5.639 9.738 -6.749 1.00 0.66 O ATOM 824 CB ASN A 58 -6.622 12.310 -7.296 1.00 0.95 C ATOM 825 CG ASN A 58 -6.427 12.069 -8.785 1.00 1.91 C ATOM 826 OD1 ASN A 58 -6.046 12.972 -9.530 1.00 2.73 O ATOM 827 ND2 ASN A 58 -6.720 10.858 -9.234 1.00 2.46 N ATOM 0 H ASN A 58 -3.377 12.749 -6.822 1.00 0.65 H new ATOM 0 HA ASN A 58 -5.574 12.204 -5.398 1.00 0.70 H new ATOM 0 HB2 ASN A 58 -7.402 11.643 -6.929 1.00 0.95 H new ATOM 0 HB3 ASN A 58 -6.977 13.330 -7.146 1.00 0.95 H new ATOM 0 HD21 ASN A 58 -6.633 10.648 -10.228 1.00 2.46 H new ATOM 0 HD22 ASN A 58 -7.033 10.135 -8.585 1.00 2.46 H new ATOM 834 N LYS A 59 -3.538 10.492 -6.930 1.00 0.52 N ATOM 835 CA LYS A 59 -3.064 9.193 -7.388 1.00 0.51 C ATOM 836 C LYS A 59 -1.690 8.807 -6.819 1.00 0.45 C ATOM 837 O LYS A 59 -0.641 9.119 -7.383 1.00 0.48 O ATOM 838 CB LYS A 59 -3.071 9.122 -8.936 1.00 0.58 C ATOM 839 CG LYS A 59 -1.995 9.946 -9.649 1.00 0.83 C ATOM 840 CD LYS A 59 -2.195 11.441 -9.492 1.00 0.64 C ATOM 841 CE LYS A 59 -3.251 11.968 -10.443 1.00 1.53 C ATOM 842 NZ LYS A 59 -2.848 11.802 -11.864 1.00 2.11 N ATOM 0 H LYS A 59 -2.816 11.198 -6.787 1.00 0.52 H new ATOM 0 HA LYS A 59 -3.765 8.455 -6.998 1.00 0.51 H new ATOM 0 HB2 LYS A 59 -2.959 8.079 -9.233 1.00 0.58 H new ATOM 0 HB3 LYS A 59 -4.048 9.451 -9.291 1.00 0.58 H new ATOM 0 HG2 LYS A 59 -1.016 9.672 -9.256 1.00 0.83 H new ATOM 0 HG3 LYS A 59 -1.995 9.694 -10.709 1.00 0.83 H new ATOM 0 HD2 LYS A 59 -2.486 11.663 -8.465 1.00 0.64 H new ATOM 0 HD3 LYS A 59 -1.252 11.956 -9.674 1.00 0.64 H new ATOM 0 HE2 LYS A 59 -4.191 11.444 -10.268 1.00 1.53 H new ATOM 0 HE3 LYS A 59 -3.431 13.023 -10.237 1.00 1.53 H new ATOM 0 HZ1 LYS A 59 -3.363 12.487 -12.453 1.00 2.11 H new ATOM 0 HZ2 LYS A 59 -1.825 11.966 -11.956 1.00 2.11 H new ATOM 0 HZ3 LYS A 59 -3.073 10.837 -12.178 1.00 2.11 H new ATOM 856 N LYS A 60 -1.696 8.141 -5.679 1.00 0.41 N ATOM 857 CA LYS A 60 -0.496 7.465 -5.193 1.00 0.38 C ATOM 858 C LYS A 60 -0.875 6.238 -4.380 1.00 0.38 C ATOM 859 O LYS A 60 -1.625 6.342 -3.411 1.00 0.41 O ATOM 860 CB LYS A 60 0.361 8.385 -4.324 1.00 0.41 C ATOM 861 CG LYS A 60 1.787 7.884 -4.125 1.00 0.45 C ATOM 862 CD LYS A 60 2.764 8.584 -5.056 1.00 1.22 C ATOM 863 CE LYS A 60 2.980 10.033 -4.646 1.00 2.18 C ATOM 864 NZ LYS A 60 3.987 10.720 -5.498 1.00 3.14 N ATOM 0 H LYS A 60 -2.511 8.051 -5.072 1.00 0.41 H new ATOM 0 HA LYS A 60 0.084 7.172 -6.069 1.00 0.38 H new ATOM 0 HB2 LYS A 60 0.393 9.375 -4.779 1.00 0.41 H new ATOM 0 HB3 LYS A 60 -0.115 8.498 -3.350 1.00 0.41 H new ATOM 0 HG2 LYS A 60 2.089 8.048 -3.091 1.00 0.45 H new ATOM 0 HG3 LYS A 60 1.823 6.809 -4.301 1.00 0.45 H new ATOM 0 HD2 LYS A 60 3.718 8.056 -5.049 1.00 1.22 H new ATOM 0 HD3 LYS A 60 2.386 8.546 -6.078 1.00 1.22 H new ATOM 0 HE2 LYS A 60 2.033 10.569 -4.704 1.00 2.18 H new ATOM 0 HE3 LYS A 60 3.303 10.069 -3.606 1.00 2.18 H new ATOM 0 HZ1 LYS A 60 4.236 11.635 -5.071 1.00 3.14 H new ATOM 0 HZ2 LYS A 60 4.839 10.129 -5.573 1.00 3.14 H new ATOM 0 HZ3 LYS A 60 3.590 10.877 -6.446 1.00 3.14 H new ATOM 878 N ILE A 61 -0.364 5.084 -4.782 1.00 0.37 N ATOM 879 CA ILE A 61 -0.567 3.849 -4.039 1.00 0.38 C ATOM 880 C ILE A 61 0.733 3.061 -3.972 1.00 0.38 C ATOM 881 O ILE A 61 1.430 2.907 -4.977 1.00 0.45 O ATOM 882 CB ILE A 61 -1.681 2.962 -4.655 1.00 0.45 C ATOM 883 CG1 ILE A 61 -1.333 2.526 -6.083 1.00 0.49 C ATOM 884 CG2 ILE A 61 -3.005 3.699 -4.639 1.00 0.47 C ATOM 885 CD1 ILE A 61 -2.459 1.792 -6.783 1.00 0.55 C ATOM 0 H ILE A 61 0.199 4.977 -5.626 1.00 0.37 H new ATOM 0 HA ILE A 61 -0.888 4.129 -3.036 1.00 0.38 H new ATOM 0 HB ILE A 61 -1.764 2.062 -4.046 1.00 0.45 H new ATOM 0 HG12 ILE A 61 -1.065 3.406 -6.668 1.00 0.49 H new ATOM 0 HG13 ILE A 61 -0.454 1.883 -6.054 1.00 0.49 H new ATOM 0 HG21 ILE A 61 -3.779 3.066 -5.074 1.00 0.47 H new ATOM 0 HG22 ILE A 61 -3.272 3.945 -3.611 1.00 0.47 H new ATOM 0 HG23 ILE A 61 -2.918 4.617 -5.220 1.00 0.47 H new ATOM 0 HD11 ILE A 61 -2.142 1.514 -7.788 1.00 0.55 H new ATOM 0 HD12 ILE A 61 -2.712 0.893 -6.221 1.00 0.55 H new ATOM 0 HD13 ILE A 61 -3.333 2.440 -6.844 1.00 0.55 H new ATOM 897 N THR A 62 1.081 2.591 -2.790 1.00 0.39 N ATOM 898 CA THR A 62 2.277 1.787 -2.637 1.00 0.45 C ATOM 899 C THR A 62 1.907 0.306 -2.710 1.00 0.50 C ATOM 900 O THR A 62 1.021 -0.153 -1.982 1.00 0.62 O ATOM 901 CB THR A 62 3.039 2.136 -1.330 1.00 0.56 C ATOM 902 OG1 THR A 62 4.438 2.216 -1.588 1.00 0.84 O ATOM 903 CG2 THR A 62 2.821 1.116 -0.223 1.00 0.84 C ATOM 0 H THR A 62 0.558 2.750 -1.929 1.00 0.39 H new ATOM 0 HA THR A 62 2.962 2.012 -3.455 1.00 0.45 H new ATOM 0 HB THR A 62 2.642 3.094 -0.993 1.00 0.56 H new ATOM 0 HG1 THR A 62 4.864 2.779 -0.909 1.00 0.84 H new ATOM 0 HG21 THR A 62 3.380 1.416 0.664 1.00 0.84 H new ATOM 0 HG22 THR A 62 1.759 1.062 0.018 1.00 0.84 H new ATOM 0 HG23 THR A 62 3.168 0.138 -0.556 1.00 0.84 H new ATOM 911 N ASN A 63 2.538 -0.388 -3.664 1.00 0.52 N ATOM 912 CA ASN A 63 2.313 -1.816 -3.948 1.00 0.61 C ATOM 913 C ASN A 63 2.648 -2.151 -5.405 1.00 0.76 C ATOM 914 O ASN A 63 3.424 -3.070 -5.663 1.00 1.31 O ATOM 915 CB ASN A 63 0.865 -2.251 -3.681 1.00 1.03 C ATOM 916 CG ASN A 63 0.588 -3.682 -4.107 1.00 1.80 C ATOM 917 OD1 ASN A 63 0.161 -3.937 -5.234 1.00 2.50 O ATOM 918 ND2 ASN A 63 0.812 -4.625 -3.210 1.00 2.26 N ATOM 0 H ASN A 63 3.236 0.035 -4.276 1.00 0.52 H new ATOM 0 HA ASN A 63 2.975 -2.357 -3.272 1.00 0.61 H new ATOM 0 HB2 ASN A 63 0.650 -2.146 -2.618 1.00 1.03 H new ATOM 0 HB3 ASN A 63 0.187 -1.582 -4.211 1.00 1.03 H new ATOM 0 HD21 ASN A 63 0.631 -5.602 -3.441 1.00 2.26 H new ATOM 0 HD22 ASN A 63 1.166 -4.376 -2.286 1.00 2.26 H new ATOM 925 N PRO A 64 2.076 -1.413 -6.386 1.00 0.64 N ATOM 926 CA PRO A 64 2.114 -1.806 -7.785 1.00 0.97 C ATOM 927 C PRO A 64 3.338 -1.282 -8.528 1.00 1.15 C ATOM 928 O PRO A 64 4.073 -0.426 -8.034 1.00 1.75 O ATOM 929 CB PRO A 64 0.830 -1.178 -8.355 1.00 0.91 C ATOM 930 CG PRO A 64 0.321 -0.226 -7.309 1.00 0.85 C ATOM 931 CD PRO A 64 1.379 -0.130 -6.248 1.00 0.60 C ATOM 0 HA PRO A 64 2.175 -2.889 -7.896 1.00 0.97 H new ATOM 0 HB2 PRO A 64 1.035 -0.655 -9.289 1.00 0.91 H new ATOM 0 HB3 PRO A 64 0.088 -1.945 -8.576 1.00 0.91 H new ATOM 0 HG2 PRO A 64 0.121 0.753 -7.744 1.00 0.85 H new ATOM 0 HG3 PRO A 64 -0.618 -0.584 -6.886 1.00 0.85 H new ATOM 0 HD2 PRO A 64 2.046 0.716 -6.414 1.00 0.60 H new ATOM 0 HD3 PRO A 64 0.949 -0.006 -5.254 1.00 0.60 H new ATOM 939 N PHE A 65 3.531 -1.796 -9.730 1.00 1.16 N ATOM 940 CA PHE A 65 4.660 -1.427 -10.567 1.00 1.47 C ATOM 941 C PHE A 65 4.196 -1.213 -12.002 1.00 1.30 C ATOM 942 O PHE A 65 4.968 -1.370 -12.947 1.00 1.80 O ATOM 943 CB PHE A 65 5.740 -2.516 -10.506 1.00 2.09 C ATOM 944 CG PHE A 65 5.214 -3.918 -10.680 1.00 2.12 C ATOM 945 CD1 PHE A 65 5.061 -4.467 -11.944 1.00 2.65 C ATOM 946 CD2 PHE A 65 4.872 -4.683 -9.577 1.00 2.10 C ATOM 947 CE1 PHE A 65 4.577 -5.751 -12.103 1.00 3.23 C ATOM 948 CE2 PHE A 65 4.389 -5.969 -9.731 1.00 2.47 C ATOM 949 CZ PHE A 65 4.240 -6.503 -10.995 1.00 3.09 C ATOM 0 H PHE A 65 2.908 -2.483 -10.155 1.00 1.16 H new ATOM 0 HA PHE A 65 5.088 -0.495 -10.198 1.00 1.47 H new ATOM 0 HB2 PHE A 65 6.482 -2.320 -11.280 1.00 2.09 H new ATOM 0 HB3 PHE A 65 6.254 -2.449 -9.547 1.00 2.09 H new ATOM 0 HD1 PHE A 65 5.323 -3.884 -12.814 1.00 2.65 H new ATOM 0 HD2 PHE A 65 4.984 -4.270 -8.585 1.00 2.10 H new ATOM 0 HE1 PHE A 65 4.462 -6.166 -13.093 1.00 3.23 H new ATOM 0 HE2 PHE A 65 4.128 -6.556 -8.863 1.00 2.47 H new ATOM 0 HZ PHE A 65 3.861 -7.507 -11.117 1.00 3.09 H new ATOM 959 N GLY A 66 2.938 -0.808 -12.155 1.00 0.85 N ATOM 960 CA GLY A 66 2.351 -0.708 -13.476 1.00 0.86 C ATOM 961 C GLY A 66 2.614 0.628 -14.133 1.00 0.86 C ATOM 962 O GLY A 66 2.390 0.797 -15.330 1.00 1.21 O ATOM 0 H GLY A 66 2.317 -0.548 -11.388 1.00 0.85 H new ATOM 0 HA2 GLY A 66 2.749 -1.503 -14.107 1.00 0.86 H new ATOM 0 HA3 GLY A 66 1.275 -0.867 -13.404 1.00 0.86 H new ATOM 966 N GLY A 67 3.083 1.575 -13.342 1.00 0.70 N ATOM 967 CA GLY A 67 3.328 2.912 -13.833 1.00 0.70 C ATOM 968 C GLY A 67 4.576 3.502 -13.223 1.00 0.65 C ATOM 969 O GLY A 67 5.652 2.910 -13.304 1.00 0.67 O ATOM 0 H GLY A 67 3.301 1.439 -12.355 1.00 0.70 H new ATOM 0 HA2 GLY A 67 3.427 2.890 -14.918 1.00 0.70 H new ATOM 0 HA3 GLY A 67 2.473 3.548 -13.603 1.00 0.70 H new ATOM 973 N GLU A 68 4.432 4.644 -12.571 1.00 0.63 N ATOM 974 CA GLU A 68 5.561 5.283 -11.915 1.00 0.64 C ATOM 975 C GLU A 68 5.718 4.717 -10.516 1.00 0.58 C ATOM 976 O GLU A 68 5.032 5.145 -9.594 1.00 0.59 O ATOM 977 CB GLU A 68 5.323 6.789 -11.812 1.00 0.73 C ATOM 978 CG GLU A 68 5.053 7.469 -13.143 1.00 1.36 C ATOM 979 CD GLU A 68 6.276 7.534 -14.032 1.00 1.84 C ATOM 980 OE1 GLU A 68 6.564 6.542 -14.733 1.00 1.99 O ATOM 981 OE2 GLU A 68 6.951 8.584 -14.039 1.00 2.78 O ATOM 0 H GLU A 68 3.549 5.146 -12.482 1.00 0.63 H new ATOM 0 HA GLU A 68 6.462 5.095 -12.500 1.00 0.64 H new ATOM 0 HB2 GLU A 68 4.478 6.967 -11.148 1.00 0.73 H new ATOM 0 HB3 GLU A 68 6.195 7.253 -11.350 1.00 0.73 H new ATOM 0 HG2 GLU A 68 4.260 6.933 -13.664 1.00 1.36 H new ATOM 0 HG3 GLU A 68 4.689 8.480 -12.961 1.00 1.36 H new ATOM 988 N LEU A 69 6.632 3.775 -10.361 1.00 0.57 N ATOM 989 CA LEU A 69 6.863 3.136 -9.067 1.00 0.57 C ATOM 990 C LEU A 69 8.190 3.574 -8.449 1.00 0.55 C ATOM 991 O LEU A 69 9.187 3.771 -9.147 1.00 0.60 O ATOM 992 CB LEU A 69 6.833 1.603 -9.183 1.00 0.69 C ATOM 993 CG LEU A 69 7.993 0.962 -9.957 1.00 0.83 C ATOM 994 CD1 LEU A 69 8.360 -0.377 -9.337 1.00 1.15 C ATOM 995 CD2 LEU A 69 7.630 0.771 -11.424 1.00 1.17 C ATOM 0 H LEU A 69 7.229 3.432 -11.113 1.00 0.57 H new ATOM 0 HA LEU A 69 6.052 3.457 -8.414 1.00 0.57 H new ATOM 0 HB2 LEU A 69 6.818 1.183 -8.177 1.00 0.69 H new ATOM 0 HB3 LEU A 69 5.898 1.313 -9.663 1.00 0.69 H new ATOM 0 HG LEU A 69 8.851 1.632 -9.899 1.00 0.83 H new ATOM 0 HD11 LEU A 69 9.184 -0.822 -9.894 1.00 1.15 H new ATOM 0 HD12 LEU A 69 8.662 -0.227 -8.300 1.00 1.15 H new ATOM 0 HD13 LEU A 69 7.497 -1.042 -9.371 1.00 1.15 H new ATOM 0 HD21 LEU A 69 8.469 0.315 -11.950 1.00 1.17 H new ATOM 0 HD22 LEU A 69 6.757 0.122 -11.501 1.00 1.17 H new ATOM 0 HD23 LEU A 69 7.404 1.739 -11.872 1.00 1.17 H new ATOM 1007 N ASN A 70 8.182 3.733 -7.134 1.00 0.52 N ATOM 1008 CA ASN A 70 9.384 4.055 -6.373 1.00 0.53 C ATOM 1009 C ASN A 70 9.722 2.892 -5.446 1.00 0.49 C ATOM 1010 O ASN A 70 8.842 2.367 -4.770 1.00 0.51 O ATOM 1011 CB ASN A 70 9.169 5.324 -5.542 1.00 0.59 C ATOM 1012 CG ASN A 70 10.426 5.750 -4.801 1.00 0.65 C ATOM 1013 OD1 ASN A 70 10.260 6.260 -3.593 1.00 0.92 O flip ATOM 1014 ND2 ASN A 70 11.537 5.607 -5.310 1.00 0.73 N flip ATOM 0 H ASN A 70 7.342 3.643 -6.562 1.00 0.52 H new ATOM 0 HA ASN A 70 10.206 4.226 -7.068 1.00 0.53 H new ATOM 0 HB2 ASN A 70 8.844 6.133 -6.196 1.00 0.59 H new ATOM 0 HB3 ASN A 70 8.367 5.153 -4.824 1.00 0.59 H new ATOM 0 HD21 ASN A 70 11.622 5.209 -6.245 1.00 0.73 H new ATOM 0 HD22 ASN A 70 12.373 5.886 -4.797 1.00 0.73 H new ATOM 1021 N VAL A 71 10.982 2.486 -5.417 1.00 0.51 N ATOM 1022 CA VAL A 71 11.394 1.371 -4.570 1.00 0.52 C ATOM 1023 C VAL A 71 11.890 1.860 -3.208 1.00 0.49 C ATOM 1024 O VAL A 71 12.715 2.773 -3.122 1.00 0.58 O ATOM 1025 CB VAL A 71 12.486 0.506 -5.244 1.00 0.68 C ATOM 1026 CG1 VAL A 71 11.937 -0.167 -6.494 1.00 0.97 C ATOM 1027 CG2 VAL A 71 13.715 1.335 -5.590 1.00 1.02 C ATOM 0 H VAL A 71 11.733 2.906 -5.964 1.00 0.51 H new ATOM 0 HA VAL A 71 10.510 0.751 -4.422 1.00 0.52 H new ATOM 0 HB VAL A 71 12.787 -0.262 -4.532 1.00 0.68 H new ATOM 0 HG11 VAL A 71 12.718 -0.771 -6.955 1.00 0.97 H new ATOM 0 HG12 VAL A 71 11.096 -0.806 -6.224 1.00 0.97 H new ATOM 0 HG13 VAL A 71 11.603 0.593 -7.200 1.00 0.97 H new ATOM 0 HG21 VAL A 71 14.463 0.698 -6.062 1.00 1.02 H new ATOM 0 HG22 VAL A 71 13.434 2.134 -6.276 1.00 1.02 H new ATOM 0 HG23 VAL A 71 14.130 1.768 -4.680 1.00 1.02 H new ATOM 1037 N GLY A 72 11.366 1.266 -2.144 1.00 0.44 N ATOM 1038 CA GLY A 72 11.800 1.615 -0.806 1.00 0.46 C ATOM 1039 C GLY A 72 11.494 0.516 0.195 1.00 0.44 C ATOM 1040 O GLY A 72 10.605 -0.293 -0.036 1.00 0.48 O ATOM 0 H GLY A 72 10.645 0.546 -2.185 1.00 0.44 H new ATOM 0 HA2 GLY A 72 12.872 1.812 -0.812 1.00 0.46 H new ATOM 0 HA3 GLY A 72 11.309 2.537 -0.494 1.00 0.46 H new ATOM 1044 N PRO A 73 12.248 0.431 1.294 1.00 0.53 N ATOM 1045 CA PRO A 73 12.031 -0.542 2.350 1.00 0.54 C ATOM 1046 C PRO A 73 11.429 0.060 3.620 1.00 0.49 C ATOM 1047 O PRO A 73 11.276 1.275 3.735 1.00 0.59 O ATOM 1048 CB PRO A 73 13.460 -0.971 2.626 1.00 0.72 C ATOM 1049 CG PRO A 73 14.266 0.281 2.443 1.00 1.00 C ATOM 1050 CD PRO A 73 13.442 1.223 1.587 1.00 0.76 C ATOM 0 HA PRO A 73 11.330 -1.326 2.063 1.00 0.54 H new ATOM 0 HB2 PRO A 73 13.568 -1.369 3.635 1.00 0.72 H new ATOM 0 HB3 PRO A 73 13.780 -1.754 1.938 1.00 0.72 H new ATOM 0 HG2 PRO A 73 14.494 0.736 3.407 1.00 1.00 H new ATOM 0 HG3 PRO A 73 15.219 0.059 1.963 1.00 1.00 H new ATOM 0 HD2 PRO A 73 13.197 2.143 2.118 1.00 0.76 H new ATOM 0 HD3 PRO A 73 13.970 1.511 0.678 1.00 0.76 H new ATOM 1058 N ALA A 74 11.110 -0.799 4.573 1.00 0.51 N ATOM 1059 CA ALA A 74 10.659 -0.348 5.880 1.00 0.61 C ATOM 1060 C ALA A 74 11.828 -0.350 6.863 1.00 0.84 C ATOM 1061 O ALA A 74 12.987 -0.420 6.451 1.00 1.58 O ATOM 1062 CB ALA A 74 9.527 -1.227 6.380 1.00 0.86 C ATOM 0 H ALA A 74 11.155 -1.813 4.467 1.00 0.51 H new ATOM 0 HA ALA A 74 10.282 0.671 5.795 1.00 0.61 H new ATOM 0 HB1 ALA A 74 9.200 -0.877 7.359 1.00 0.86 H new ATOM 0 HB2 ALA A 74 8.693 -1.179 5.680 1.00 0.86 H new ATOM 0 HB3 ALA A 74 9.874 -2.257 6.460 1.00 0.86 H new ATOM 1068 N ASN A 75 11.527 -0.263 8.155 1.00 0.62 N ATOM 1069 CA ASN A 75 12.568 -0.264 9.180 1.00 0.74 C ATOM 1070 C ASN A 75 13.323 -1.586 9.181 1.00 0.76 C ATOM 1071 O ASN A 75 14.555 -1.606 9.172 1.00 0.85 O ATOM 1072 CB ASN A 75 11.969 0.015 10.560 1.00 0.99 C ATOM 1073 CG ASN A 75 13.014 0.060 11.661 1.00 1.38 C ATOM 1074 OD1 ASN A 75 13.671 1.081 11.863 1.00 2.09 O ATOM 1075 ND2 ASN A 75 13.154 -1.032 12.399 1.00 1.58 N ATOM 0 H ASN A 75 10.576 -0.191 8.517 1.00 0.62 H new ATOM 0 HA ASN A 75 13.275 0.532 8.946 1.00 0.74 H new ATOM 0 HB2 ASN A 75 11.436 0.965 10.533 1.00 0.99 H new ATOM 0 HB3 ASN A 75 11.235 -0.756 10.794 1.00 0.99 H new ATOM 0 HD21 ASN A 75 13.825 -1.046 13.167 1.00 1.58 H new ATOM 0 HD22 ASN A 75 12.590 -1.858 12.199 1.00 1.58 H new ATOM 1082 N ASN A 76 12.583 -2.687 9.178 1.00 0.75 N ATOM 1083 CA ASN A 76 13.180 -4.012 9.095 1.00 0.82 C ATOM 1084 C ASN A 76 12.114 -5.038 8.722 1.00 0.77 C ATOM 1085 O ASN A 76 10.971 -4.941 9.173 1.00 0.81 O ATOM 1086 CB ASN A 76 13.872 -4.386 10.413 1.00 1.02 C ATOM 1087 CG ASN A 76 14.696 -5.654 10.288 1.00 1.32 C ATOM 1088 OD1 ASN A 76 15.822 -5.625 9.798 1.00 2.08 O ATOM 1089 ND2 ASN A 76 14.166 -6.763 10.771 1.00 1.38 N ATOM 0 H ASN A 76 11.564 -2.688 9.232 1.00 0.75 H new ATOM 0 HA ASN A 76 13.943 -4.005 8.317 1.00 0.82 H new ATOM 0 HB2 ASN A 76 14.516 -3.566 10.729 1.00 1.02 H new ATOM 0 HB3 ASN A 76 13.120 -4.518 11.191 1.00 1.02 H new ATOM 0 HD21 ASN A 76 14.695 -7.635 10.745 1.00 1.38 H new ATOM 0 HD22 ASN A 76 13.228 -6.748 11.170 1.00 1.38 H new ATOM 1096 N ASN A 77 12.510 -6.020 7.908 1.00 0.80 N ATOM 1097 CA ASN A 77 11.584 -6.989 7.298 1.00 0.86 C ATOM 1098 C ASN A 77 10.715 -7.711 8.332 1.00 0.95 C ATOM 1099 O ASN A 77 9.581 -8.094 8.042 1.00 1.05 O ATOM 1100 CB ASN A 77 12.387 -8.006 6.476 1.00 0.95 C ATOM 1101 CG ASN A 77 11.528 -9.057 5.793 1.00 1.40 C ATOM 1102 OD1 ASN A 77 10.377 -8.811 5.433 1.00 2.28 O ATOM 1103 ND2 ASN A 77 12.096 -10.236 5.595 1.00 1.72 N ATOM 0 H ASN A 77 13.485 -6.169 7.650 1.00 0.80 H new ATOM 0 HA ASN A 77 10.903 -6.434 6.653 1.00 0.86 H new ATOM 0 HB2 ASN A 77 12.964 -7.474 5.719 1.00 0.95 H new ATOM 0 HB3 ASN A 77 13.103 -8.504 7.130 1.00 0.95 H new ATOM 0 HD21 ASN A 77 11.577 -10.980 5.129 1.00 1.72 H new ATOM 0 HD22 ASN A 77 13.053 -10.400 5.908 1.00 1.72 H new ATOM 1110 N THR A 78 11.245 -7.885 9.538 1.00 1.02 N ATOM 1111 CA THR A 78 10.514 -8.544 10.619 1.00 1.22 C ATOM 1112 C THR A 78 9.168 -7.871 10.900 1.00 1.16 C ATOM 1113 O THR A 78 8.204 -8.530 11.298 1.00 1.41 O ATOM 1114 CB THR A 78 11.353 -8.563 11.908 1.00 1.44 C ATOM 1115 OG1 THR A 78 11.905 -7.261 12.142 1.00 1.95 O ATOM 1116 CG2 THR A 78 12.473 -9.589 11.813 1.00 1.88 C ATOM 0 H THR A 78 12.183 -7.578 9.794 1.00 1.02 H new ATOM 0 HA THR A 78 10.321 -9.565 10.291 1.00 1.22 H new ATOM 0 HB THR A 78 10.704 -8.841 12.739 1.00 1.44 H new ATOM 0 HG1 THR A 78 12.438 -7.275 12.964 1.00 1.95 H new ATOM 0 HG21 THR A 78 13.051 -9.583 12.737 1.00 1.88 H new ATOM 0 HG22 THR A 78 12.046 -10.580 11.659 1.00 1.88 H new ATOM 0 HG23 THR A 78 13.124 -9.340 10.975 1.00 1.88 H new ATOM 1124 N ALA A 79 9.103 -6.561 10.696 1.00 0.91 N ATOM 1125 CA ALA A 79 7.863 -5.828 10.875 1.00 0.86 C ATOM 1126 C ALA A 79 7.186 -5.618 9.528 1.00 0.73 C ATOM 1127 O ALA A 79 6.110 -6.158 9.264 1.00 0.77 O ATOM 1128 CB ALA A 79 8.123 -4.495 11.563 1.00 0.88 C ATOM 0 H ALA A 79 9.896 -5.988 10.407 1.00 0.91 H new ATOM 0 HA ALA A 79 7.198 -6.411 11.513 1.00 0.86 H new ATOM 0 HB1 ALA A 79 7.181 -3.960 11.688 1.00 0.88 H new ATOM 0 HB2 ALA A 79 8.573 -4.671 12.540 1.00 0.88 H new ATOM 0 HB3 ALA A 79 8.801 -3.897 10.954 1.00 0.88 H new ATOM 1134 N PHE A 80 7.833 -4.834 8.680 1.00 0.65 N ATOM 1135 CA PHE A 80 7.380 -4.617 7.317 1.00 0.60 C ATOM 1136 C PHE A 80 8.592 -4.695 6.402 1.00 0.72 C ATOM 1137 O PHE A 80 9.695 -4.343 6.807 1.00 1.37 O ATOM 1138 CB PHE A 80 6.693 -3.253 7.168 1.00 0.58 C ATOM 1139 CG PHE A 80 5.656 -2.971 8.218 1.00 0.58 C ATOM 1140 CD1 PHE A 80 4.371 -3.469 8.093 1.00 0.56 C ATOM 1141 CD2 PHE A 80 5.971 -2.213 9.335 1.00 0.72 C ATOM 1142 CE1 PHE A 80 3.418 -3.217 9.061 1.00 0.65 C ATOM 1143 CE2 PHE A 80 5.023 -1.958 10.305 1.00 0.82 C ATOM 1144 CZ PHE A 80 3.745 -2.461 10.168 1.00 0.77 C ATOM 0 H PHE A 80 8.687 -4.330 8.918 1.00 0.65 H new ATOM 0 HA PHE A 80 6.648 -5.379 7.052 1.00 0.60 H new ATOM 0 HB2 PHE A 80 7.451 -2.471 7.202 1.00 0.58 H new ATOM 0 HB3 PHE A 80 6.224 -3.200 6.186 1.00 0.58 H new ATOM 0 HD1 PHE A 80 4.110 -4.062 7.229 1.00 0.56 H new ATOM 0 HD2 PHE A 80 6.970 -1.817 9.447 1.00 0.72 H new ATOM 0 HE1 PHE A 80 2.418 -3.611 8.951 1.00 0.65 H new ATOM 0 HE2 PHE A 80 5.281 -1.365 11.170 1.00 0.82 H new ATOM 0 HZ PHE A 80 3.002 -2.263 10.926 1.00 0.77 H new ATOM 1154 N GLY A 81 8.401 -5.149 5.179 1.00 0.52 N ATOM 1155 CA GLY A 81 9.535 -5.382 4.315 1.00 0.57 C ATOM 1156 C GLY A 81 9.842 -4.214 3.406 1.00 0.50 C ATOM 1157 O GLY A 81 10.827 -3.501 3.602 1.00 0.54 O ATOM 0 H GLY A 81 7.491 -5.359 4.770 1.00 0.52 H new ATOM 0 HA2 GLY A 81 10.411 -5.598 4.927 1.00 0.57 H new ATOM 0 HA3 GLY A 81 9.345 -6.267 3.707 1.00 0.57 H new ATOM 1161 N TYR A 82 8.989 -4.012 2.420 1.00 0.45 N ATOM 1162 CA TYR A 82 9.266 -3.068 1.350 1.00 0.44 C ATOM 1163 C TYR A 82 7.984 -2.451 0.827 1.00 0.41 C ATOM 1164 O TYR A 82 6.902 -3.021 0.981 1.00 0.46 O ATOM 1165 CB TYR A 82 9.994 -3.788 0.210 1.00 0.54 C ATOM 1166 CG TYR A 82 9.463 -5.186 -0.029 1.00 0.84 C ATOM 1167 CD1 TYR A 82 8.371 -5.418 -0.860 1.00 1.01 C ATOM 1168 CD2 TYR A 82 10.041 -6.273 0.610 1.00 1.33 C ATOM 1169 CE1 TYR A 82 7.880 -6.698 -1.044 1.00 1.53 C ATOM 1170 CE2 TYR A 82 9.554 -7.549 0.437 1.00 1.92 C ATOM 1171 CZ TYR A 82 8.476 -7.759 -0.388 1.00 1.98 C ATOM 1172 OH TYR A 82 7.993 -9.035 -0.553 1.00 2.58 O ATOM 0 H TYR A 82 8.093 -4.491 2.336 1.00 0.45 H new ATOM 0 HA TYR A 82 9.895 -2.270 1.745 1.00 0.44 H new ATOM 0 HB2 TYR A 82 9.895 -3.204 -0.705 1.00 0.54 H new ATOM 0 HB3 TYR A 82 11.058 -3.842 0.440 1.00 0.54 H new ATOM 0 HD1 TYR A 82 7.901 -4.588 -1.367 1.00 1.01 H new ATOM 0 HD2 TYR A 82 10.891 -6.115 1.257 1.00 1.33 H new ATOM 0 HE1 TYR A 82 7.036 -6.868 -1.696 1.00 1.53 H new ATOM 0 HE2 TYR A 82 10.017 -8.381 0.947 1.00 1.92 H new ATOM 0 HH TYR A 82 8.371 -9.425 -1.369 1.00 2.58 H new ATOM 1182 N TYR A 83 8.117 -1.297 0.211 1.00 0.36 N ATOM 1183 CA TYR A 83 7.001 -0.622 -0.408 1.00 0.38 C ATOM 1184 C TYR A 83 7.374 -0.181 -1.815 1.00 0.38 C ATOM 1185 O TYR A 83 8.541 0.097 -2.106 1.00 0.43 O ATOM 1186 CB TYR A 83 6.555 0.582 0.430 1.00 0.39 C ATOM 1187 CG TYR A 83 7.633 1.618 0.696 1.00 0.39 C ATOM 1188 CD1 TYR A 83 7.993 2.532 -0.284 1.00 0.41 C ATOM 1189 CD2 TYR A 83 8.310 1.663 1.911 1.00 0.50 C ATOM 1190 CE1 TYR A 83 8.991 3.462 -0.060 1.00 0.49 C ATOM 1191 CE2 TYR A 83 9.308 2.591 2.140 1.00 0.58 C ATOM 1192 CZ TYR A 83 9.575 3.546 1.214 1.00 0.56 C ATOM 1193 OH TYR A 83 10.641 4.418 1.365 1.00 0.68 O ATOM 0 H TYR A 83 9.004 -0.801 0.126 1.00 0.36 H new ATOM 0 HA TYR A 83 6.166 -1.320 -0.466 1.00 0.38 H new ATOM 0 HB2 TYR A 83 5.722 1.069 -0.077 1.00 0.39 H new ATOM 0 HB3 TYR A 83 6.178 0.219 1.386 1.00 0.39 H new ATOM 0 HD1 TYR A 83 7.485 2.517 -1.237 1.00 0.41 H new ATOM 0 HD2 TYR A 83 8.051 0.960 2.689 1.00 0.50 H new ATOM 0 HE1 TYR A 83 9.317 4.116 -0.855 1.00 0.49 H new ATOM 0 HE2 TYR A 83 9.876 2.556 3.058 1.00 0.58 H new ATOM 0 HH TYR A 83 10.389 5.140 1.977 1.00 0.68 H new ATOM 1203 N LEU A 84 6.387 -0.158 -2.688 1.00 0.40 N ATOM 1204 CA LEU A 84 6.577 0.308 -4.049 1.00 0.42 C ATOM 1205 C LEU A 84 5.614 1.458 -4.304 1.00 0.43 C ATOM 1206 O LEU A 84 4.472 1.240 -4.711 1.00 0.50 O ATOM 1207 CB LEU A 84 6.336 -0.822 -5.069 1.00 0.51 C ATOM 1208 CG LEU A 84 7.323 -2.001 -5.042 1.00 0.66 C ATOM 1209 CD1 LEU A 84 8.760 -1.506 -5.028 1.00 1.42 C ATOM 1210 CD2 LEU A 84 7.053 -2.926 -3.865 1.00 1.21 C ATOM 0 H LEU A 84 5.436 -0.460 -2.477 1.00 0.40 H new ATOM 0 HA LEU A 84 7.607 0.642 -4.171 1.00 0.42 H new ATOM 0 HB2 LEU A 84 5.332 -1.215 -4.910 1.00 0.51 H new ATOM 0 HB3 LEU A 84 6.353 -0.387 -6.068 1.00 0.51 H new ATOM 0 HG LEU A 84 7.173 -2.578 -5.954 1.00 0.66 H new ATOM 0 HD11 LEU A 84 9.438 -2.359 -5.009 1.00 1.42 H new ATOM 0 HD12 LEU A 84 8.949 -0.912 -5.922 1.00 1.42 H new ATOM 0 HD13 LEU A 84 8.925 -0.892 -4.143 1.00 1.42 H new ATOM 0 HD21 LEU A 84 7.769 -3.748 -3.877 1.00 1.21 H new ATOM 0 HD22 LEU A 84 7.155 -2.369 -2.934 1.00 1.21 H new ATOM 0 HD23 LEU A 84 6.041 -3.325 -3.940 1.00 1.21 H new ATOM 1222 N THR A 85 6.065 2.681 -4.062 1.00 0.43 N ATOM 1223 CA THR A 85 5.172 3.822 -4.081 1.00 0.47 C ATOM 1224 C THR A 85 4.974 4.310 -5.499 1.00 0.45 C ATOM 1225 O THR A 85 5.858 4.921 -6.103 1.00 0.50 O ATOM 1226 CB THR A 85 5.705 4.972 -3.212 1.00 0.58 C ATOM 1227 OG1 THR A 85 6.497 4.450 -2.139 1.00 0.75 O ATOM 1228 CG2 THR A 85 4.550 5.770 -2.641 1.00 0.98 C ATOM 0 H THR A 85 7.038 2.904 -3.852 1.00 0.43 H new ATOM 0 HA THR A 85 4.217 3.497 -3.669 1.00 0.47 H new ATOM 0 HB THR A 85 6.321 5.622 -3.833 1.00 0.58 H new ATOM 0 HG1 THR A 85 5.990 4.504 -1.302 1.00 0.75 H new ATOM 0 HG21 THR A 85 4.938 6.583 -2.027 1.00 0.98 H new ATOM 0 HG22 THR A 85 3.955 6.183 -3.456 1.00 0.98 H new ATOM 0 HG23 THR A 85 3.925 5.119 -2.029 1.00 0.98 H new ATOM 1236 N LEU A 86 3.809 4.013 -6.027 1.00 0.43 N ATOM 1237 CA LEU A 86 3.506 4.272 -7.414 1.00 0.43 C ATOM 1238 C LEU A 86 2.407 5.310 -7.542 1.00 0.45 C ATOM 1239 O LEU A 86 1.462 5.320 -6.759 1.00 0.50 O ATOM 1240 CB LEU A 86 3.090 2.957 -8.069 1.00 0.46 C ATOM 1241 CG LEU A 86 2.660 3.034 -9.528 1.00 0.63 C ATOM 1242 CD1 LEU A 86 3.228 1.858 -10.287 1.00 1.23 C ATOM 1243 CD2 LEU A 86 1.143 3.037 -9.633 1.00 1.35 C ATOM 0 H LEU A 86 3.044 3.584 -5.505 1.00 0.43 H new ATOM 0 HA LEU A 86 4.387 4.671 -7.916 1.00 0.43 H new ATOM 0 HB2 LEU A 86 3.924 2.259 -7.995 1.00 0.46 H new ATOM 0 HB3 LEU A 86 2.268 2.533 -7.492 1.00 0.46 H new ATOM 0 HG LEU A 86 3.040 3.960 -9.961 1.00 0.63 H new ATOM 0 HD11 LEU A 86 2.919 1.915 -11.331 1.00 1.23 H new ATOM 0 HD12 LEU A 86 4.316 1.879 -10.229 1.00 1.23 H new ATOM 0 HD13 LEU A 86 2.859 0.930 -9.850 1.00 1.23 H new ATOM 0 HD21 LEU A 86 0.851 3.092 -10.682 1.00 1.35 H new ATOM 0 HD22 LEU A 86 0.746 2.122 -9.194 1.00 1.35 H new ATOM 0 HD23 LEU A 86 0.743 3.899 -9.099 1.00 1.35 H new ATOM 1255 N THR A 87 2.524 6.195 -8.517 1.00 0.48 N ATOM 1256 CA THR A 87 1.466 7.147 -8.759 1.00 0.55 C ATOM 1257 C THR A 87 0.426 6.533 -9.678 1.00 0.55 C ATOM 1258 O THR A 87 0.747 6.147 -10.808 1.00 0.56 O ATOM 1259 CB THR A 87 2.010 8.433 -9.405 1.00 0.61 C ATOM 1260 OG1 THR A 87 2.749 8.105 -10.588 1.00 1.21 O ATOM 1261 CG2 THR A 87 2.904 9.191 -8.444 1.00 1.26 C ATOM 0 H THR A 87 3.327 6.271 -9.141 1.00 0.48 H new ATOM 0 HA THR A 87 1.017 7.402 -7.799 1.00 0.55 H new ATOM 0 HB THR A 87 1.163 9.069 -9.662 1.00 0.61 H new ATOM 0 HG1 THR A 87 2.332 7.338 -11.032 1.00 1.21 H new ATOM 0 HG21 THR A 87 3.274 10.095 -8.927 1.00 1.26 H new ATOM 0 HG22 THR A 87 2.335 9.462 -7.555 1.00 1.26 H new ATOM 0 HG23 THR A 87 3.747 8.562 -8.158 1.00 1.26 H new ATOM 1269 N ARG A 88 -0.809 6.490 -9.191 1.00 0.60 N ATOM 1270 CA ARG A 88 -1.967 6.003 -9.939 1.00 0.67 C ATOM 1271 C ARG A 88 -3.053 5.600 -8.955 1.00 0.71 C ATOM 1272 O ARG A 88 -2.764 4.957 -7.949 1.00 1.02 O ATOM 1273 CB ARG A 88 -1.646 4.785 -10.827 1.00 0.71 C ATOM 1274 CG ARG A 88 -2.585 4.660 -12.013 1.00 0.93 C ATOM 1275 CD ARG A 88 -2.116 3.593 -12.981 1.00 1.05 C ATOM 1276 NE ARG A 88 -2.205 2.257 -12.405 1.00 0.86 N ATOM 1277 CZ ARG A 88 -1.186 1.407 -12.338 1.00 0.99 C ATOM 1278 NH1 ARG A 88 0.058 1.826 -12.594 1.00 1.06 N ATOM 1279 NH2 ARG A 88 -1.409 0.160 -11.952 1.00 1.34 N ATOM 0 H ARG A 88 -1.040 6.798 -8.247 1.00 0.60 H new ATOM 0 HA ARG A 88 -2.288 6.814 -10.593 1.00 0.67 H new ATOM 0 HB2 ARG A 88 -0.620 4.864 -11.188 1.00 0.71 H new ATOM 0 HB3 ARG A 88 -1.704 3.877 -10.226 1.00 0.71 H new ATOM 0 HG2 ARG A 88 -3.588 4.418 -11.661 1.00 0.93 H new ATOM 0 HG3 ARG A 88 -2.651 5.618 -12.529 1.00 0.93 H new ATOM 0 HD2 ARG A 88 -2.718 3.637 -13.889 1.00 1.05 H new ATOM 0 HD3 ARG A 88 -1.085 3.795 -13.272 1.00 1.05 H new ATOM 0 HE ARG A 88 -3.105 1.956 -12.030 1.00 0.86 H new ATOM 0 HH11 ARG A 88 0.227 2.801 -12.842 1.00 1.06 H new ATOM 0 HH12 ARG A 88 0.838 1.171 -12.542 1.00 1.06 H new ATOM 0 HH21 ARG A 88 -2.354 -0.138 -11.710 1.00 1.34 H new ATOM 0 HH22 ARG A 88 -0.636 -0.503 -11.896 1.00 1.34 H new ATOM 1293 N LEU A 89 -4.287 5.989 -9.234 1.00 0.56 N ATOM 1294 CA LEU A 89 -5.415 5.589 -8.403 1.00 0.55 C ATOM 1295 C LEU A 89 -6.726 5.781 -9.162 1.00 0.55 C ATOM 1296 O LEU A 89 -6.879 6.720 -9.946 1.00 0.77 O ATOM 1297 CB LEU A 89 -5.417 6.374 -7.077 1.00 0.62 C ATOM 1298 CG LEU A 89 -6.274 5.787 -5.939 1.00 0.82 C ATOM 1299 CD1 LEU A 89 -7.746 6.085 -6.137 1.00 1.71 C ATOM 1300 CD2 LEU A 89 -6.054 4.287 -5.813 1.00 1.06 C ATOM 0 H LEU A 89 -4.534 6.580 -10.028 1.00 0.56 H new ATOM 0 HA LEU A 89 -5.315 4.531 -8.162 1.00 0.55 H new ATOM 0 HB2 LEU A 89 -4.389 6.454 -6.725 1.00 0.62 H new ATOM 0 HB3 LEU A 89 -5.764 7.387 -7.279 1.00 0.62 H new ATOM 0 HG LEU A 89 -5.955 6.267 -5.014 1.00 0.82 H new ATOM 0 HD11 LEU A 89 -8.318 5.655 -5.315 1.00 1.71 H new ATOM 0 HD12 LEU A 89 -7.899 7.164 -6.160 1.00 1.71 H new ATOM 0 HD13 LEU A 89 -8.082 5.651 -7.079 1.00 1.71 H new ATOM 0 HD21 LEU A 89 -6.670 3.896 -5.003 1.00 1.06 H new ATOM 0 HD22 LEU A 89 -6.331 3.799 -6.748 1.00 1.06 H new ATOM 0 HD23 LEU A 89 -5.004 4.090 -5.598 1.00 1.06 H new ATOM 1312 N ASP A 90 -7.665 4.892 -8.899 1.00 0.47 N ATOM 1313 CA ASP A 90 -8.947 4.876 -9.577 1.00 0.52 C ATOM 1314 C ASP A 90 -10.020 4.664 -8.523 1.00 0.53 C ATOM 1315 O ASP A 90 -9.772 3.985 -7.525 1.00 0.51 O ATOM 1316 CB ASP A 90 -9.020 3.732 -10.601 1.00 0.68 C ATOM 1317 CG ASP A 90 -7.823 3.663 -11.535 1.00 1.40 C ATOM 1318 OD1 ASP A 90 -6.838 2.978 -11.203 1.00 2.21 O ATOM 1319 OD2 ASP A 90 -7.845 4.338 -12.589 1.00 1.74 O ATOM 0 H ASP A 90 -7.558 4.154 -8.203 1.00 0.47 H new ATOM 0 HA ASP A 90 -9.087 5.816 -10.110 1.00 0.52 H new ATOM 0 HB2 ASP A 90 -9.107 2.785 -10.068 1.00 0.68 H new ATOM 0 HB3 ASP A 90 -9.926 3.847 -11.196 1.00 0.68 H new ATOM 1324 N LYS A 91 -11.197 5.224 -8.724 1.00 0.63 N ATOM 1325 CA LYS A 91 -12.273 5.040 -7.764 1.00 0.75 C ATOM 1326 C LYS A 91 -12.700 3.574 -7.774 1.00 0.79 C ATOM 1327 O LYS A 91 -13.011 2.995 -6.733 1.00 0.85 O ATOM 1328 CB LYS A 91 -13.449 5.973 -8.084 1.00 0.89 C ATOM 1329 CG LYS A 91 -14.354 6.264 -6.894 1.00 1.15 C ATOM 1330 CD LYS A 91 -15.309 5.121 -6.601 1.00 1.38 C ATOM 1331 CE LYS A 91 -16.047 5.331 -5.290 1.00 1.71 C ATOM 1332 NZ LYS A 91 -16.739 6.647 -5.236 1.00 2.24 N ATOM 0 H LYS A 91 -11.433 5.802 -9.530 1.00 0.63 H new ATOM 0 HA LYS A 91 -11.924 5.298 -6.764 1.00 0.75 H new ATOM 0 HB2 LYS A 91 -13.057 6.915 -8.468 1.00 0.89 H new ATOM 0 HB3 LYS A 91 -14.046 5.528 -8.880 1.00 0.89 H new ATOM 0 HG2 LYS A 91 -13.741 6.457 -6.013 1.00 1.15 H new ATOM 0 HG3 LYS A 91 -14.926 7.171 -7.089 1.00 1.15 H new ATOM 0 HD2 LYS A 91 -16.029 5.030 -7.414 1.00 1.38 H new ATOM 0 HD3 LYS A 91 -14.754 4.184 -6.561 1.00 1.38 H new ATOM 0 HE2 LYS A 91 -16.777 4.533 -5.155 1.00 1.71 H new ATOM 0 HE3 LYS A 91 -15.341 5.260 -4.463 1.00 1.71 H new ATOM 0 HZ1 LYS A 91 -17.363 6.677 -4.404 1.00 2.24 H new ATOM 0 HZ2 LYS A 91 -16.033 7.408 -5.167 1.00 2.24 H new ATOM 0 HZ3 LYS A 91 -17.305 6.777 -6.098 1.00 2.24 H new ATOM 1346 N ALA A 92 -12.666 2.971 -8.960 1.00 0.81 N ATOM 1347 CA ALA A 92 -12.945 1.547 -9.103 1.00 0.94 C ATOM 1348 C ALA A 92 -11.886 0.719 -8.377 1.00 0.81 C ATOM 1349 O ALA A 92 -12.194 -0.303 -7.762 1.00 0.81 O ATOM 1350 CB ALA A 92 -13.005 1.163 -10.575 1.00 1.13 C ATOM 0 H ALA A 92 -12.448 3.448 -9.835 1.00 0.81 H new ATOM 0 HA ALA A 92 -13.915 1.338 -8.651 1.00 0.94 H new ATOM 0 HB1 ALA A 92 -13.214 0.097 -10.665 1.00 1.13 H new ATOM 0 HB2 ALA A 92 -13.795 1.730 -11.067 1.00 1.13 H new ATOM 0 HB3 ALA A 92 -12.049 1.386 -11.049 1.00 1.13 H new ATOM 1356 N ALA A 93 -10.638 1.179 -8.443 1.00 0.73 N ATOM 1357 CA ALA A 93 -9.531 0.518 -7.754 1.00 0.67 C ATOM 1358 C ALA A 93 -9.692 0.653 -6.248 1.00 0.57 C ATOM 1359 O ALA A 93 -9.402 -0.275 -5.495 1.00 0.57 O ATOM 1360 CB ALA A 93 -8.195 1.101 -8.197 1.00 0.69 C ATOM 0 H ALA A 93 -10.367 2.010 -8.969 1.00 0.73 H new ATOM 0 HA ALA A 93 -9.547 -0.540 -8.016 1.00 0.67 H new ATOM 0 HB1 ALA A 93 -7.385 0.595 -7.672 1.00 0.69 H new ATOM 0 HB2 ALA A 93 -8.075 0.960 -9.271 1.00 0.69 H new ATOM 0 HB3 ALA A 93 -8.168 2.166 -7.965 1.00 0.69 H new ATOM 1366 N CYS A 94 -10.163 1.815 -5.825 1.00 0.55 N ATOM 1367 CA CYS A 94 -10.431 2.086 -4.420 1.00 0.58 C ATOM 1368 C CYS A 94 -11.408 1.060 -3.848 1.00 0.60 C ATOM 1369 O CYS A 94 -11.145 0.449 -2.812 1.00 0.63 O ATOM 1370 CB CYS A 94 -10.991 3.502 -4.277 1.00 0.67 C ATOM 1371 SG CYS A 94 -11.700 3.885 -2.647 1.00 1.02 S ATOM 0 H CYS A 94 -10.371 2.598 -6.445 1.00 0.55 H new ATOM 0 HA CYS A 94 -9.501 2.009 -3.857 1.00 0.58 H new ATOM 0 HB2 CYS A 94 -10.194 4.215 -4.487 1.00 0.67 H new ATOM 0 HB3 CYS A 94 -11.760 3.651 -5.035 1.00 0.67 H new ATOM 1376 N VAL A 95 -12.521 0.849 -4.546 1.00 0.64 N ATOM 1377 CA VAL A 95 -13.529 -0.103 -4.098 1.00 0.71 C ATOM 1378 C VAL A 95 -13.008 -1.528 -4.194 1.00 0.65 C ATOM 1379 O VAL A 95 -13.350 -2.387 -3.383 1.00 0.67 O ATOM 1380 CB VAL A 95 -14.839 0.032 -4.906 1.00 0.83 C ATOM 1381 CG1 VAL A 95 -15.907 -0.913 -4.376 1.00 0.96 C ATOM 1382 CG2 VAL A 95 -15.338 1.469 -4.875 1.00 1.04 C ATOM 0 H VAL A 95 -12.746 1.323 -5.421 1.00 0.64 H new ATOM 0 HA VAL A 95 -13.747 0.126 -3.055 1.00 0.71 H new ATOM 0 HB VAL A 95 -14.628 -0.242 -5.940 1.00 0.83 H new ATOM 0 HG11 VAL A 95 -16.819 -0.798 -4.962 1.00 0.96 H new ATOM 0 HG12 VAL A 95 -15.554 -1.941 -4.453 1.00 0.96 H new ATOM 0 HG13 VAL A 95 -16.115 -0.678 -3.332 1.00 0.96 H new ATOM 0 HG21 VAL A 95 -16.261 1.546 -5.449 1.00 1.04 H new ATOM 0 HG22 VAL A 95 -15.526 1.767 -3.843 1.00 1.04 H new ATOM 0 HG23 VAL A 95 -14.584 2.125 -5.310 1.00 1.04 H new ATOM 1392 N SER A 96 -12.158 -1.761 -5.173 1.00 0.62 N ATOM 1393 CA SER A 96 -11.542 -3.060 -5.363 1.00 0.61 C ATOM 1394 C SER A 96 -10.688 -3.456 -4.161 1.00 0.55 C ATOM 1395 O SER A 96 -10.632 -4.623 -3.790 1.00 0.58 O ATOM 1396 CB SER A 96 -10.678 -3.016 -6.611 1.00 0.68 C ATOM 1397 OG SER A 96 -11.474 -2.917 -7.780 1.00 1.00 O ATOM 0 H SER A 96 -11.875 -1.059 -5.857 1.00 0.62 H new ATOM 0 HA SER A 96 -12.330 -3.805 -5.471 1.00 0.61 H new ATOM 0 HB2 SER A 96 -9.999 -2.165 -6.557 1.00 0.68 H new ATOM 0 HB3 SER A 96 -10.062 -3.913 -6.662 1.00 0.68 H new ATOM 0 HG SER A 96 -11.811 -2.001 -7.870 1.00 1.00 H new ATOM 1403 N LEU A 97 -10.037 -2.476 -3.556 1.00 0.56 N ATOM 1404 CA LEU A 97 -9.140 -2.728 -2.438 1.00 0.61 C ATOM 1405 C LEU A 97 -9.902 -2.782 -1.118 1.00 0.63 C ATOM 1406 O LEU A 97 -9.405 -3.308 -0.125 1.00 0.70 O ATOM 1407 CB LEU A 97 -8.056 -1.655 -2.399 1.00 0.69 C ATOM 1408 CG LEU A 97 -7.132 -1.651 -3.620 1.00 0.78 C ATOM 1409 CD1 LEU A 97 -6.270 -0.401 -3.639 1.00 0.86 C ATOM 1410 CD2 LEU A 97 -6.261 -2.897 -3.626 1.00 0.89 C ATOM 0 H LEU A 97 -10.113 -1.494 -3.821 1.00 0.56 H new ATOM 0 HA LEU A 97 -8.671 -3.701 -2.580 1.00 0.61 H new ATOM 0 HB2 LEU A 97 -8.531 -0.678 -2.314 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -7.453 -1.796 -1.502 1.00 0.69 H new ATOM 0 HG LEU A 97 -7.750 -1.652 -4.518 1.00 0.78 H new ATOM 0 HD11 LEU A 97 -5.622 -0.419 -4.515 1.00 0.86 H new ATOM 0 HD12 LEU A 97 -6.909 0.481 -3.679 1.00 0.86 H new ATOM 0 HD13 LEU A 97 -5.660 -0.366 -2.737 1.00 0.86 H new ATOM 0 HD21 LEU A 97 -5.609 -2.881 -4.499 1.00 0.89 H new ATOM 0 HD22 LEU A 97 -5.654 -2.921 -2.721 1.00 0.89 H new ATOM 0 HD23 LEU A 97 -6.894 -3.783 -3.662 1.00 0.89 H new ATOM 1422 N ALA A 98 -11.103 -2.224 -1.110 1.00 0.64 N ATOM 1423 CA ALA A 98 -11.963 -2.291 0.063 1.00 0.75 C ATOM 1424 C ALA A 98 -12.752 -3.593 0.077 1.00 0.71 C ATOM 1425 O ALA A 98 -13.169 -4.073 1.132 1.00 0.85 O ATOM 1426 CB ALA A 98 -12.901 -1.102 0.094 1.00 0.92 C ATOM 0 H ALA A 98 -11.504 -1.720 -1.901 1.00 0.64 H new ATOM 0 HA ALA A 98 -11.335 -2.263 0.954 1.00 0.75 H new ATOM 0 HB1 ALA A 98 -13.538 -1.164 0.976 1.00 0.92 H new ATOM 0 HB2 ALA A 98 -12.320 -0.181 0.131 1.00 0.92 H new ATOM 0 HB3 ALA A 98 -13.521 -1.104 -0.803 1.00 0.92 H new ATOM 1432 N THR A 99 -12.957 -4.154 -1.107 1.00 0.66 N ATOM 1433 CA THR A 99 -13.616 -5.439 -1.240 1.00 0.71 C ATOM 1434 C THR A 99 -12.581 -6.558 -1.267 1.00 0.66 C ATOM 1435 O THR A 99 -12.916 -7.738 -1.259 1.00 0.77 O ATOM 1436 CB THR A 99 -14.488 -5.493 -2.514 1.00 0.81 C ATOM 1437 OG1 THR A 99 -13.734 -5.055 -3.650 1.00 0.82 O ATOM 1438 CG2 THR A 99 -15.723 -4.615 -2.367 1.00 0.92 C ATOM 0 H THR A 99 -12.673 -3.734 -1.992 1.00 0.66 H new ATOM 0 HA THR A 99 -14.269 -5.573 -0.378 1.00 0.71 H new ATOM 0 HB THR A 99 -14.803 -6.526 -2.658 1.00 0.81 H new ATOM 0 HG1 THR A 99 -13.673 -4.077 -3.645 1.00 0.82 H new ATOM 0 HG21 THR A 99 -16.320 -4.671 -3.277 1.00 0.92 H new ATOM 0 HG22 THR A 99 -16.317 -4.962 -1.522 1.00 0.92 H new ATOM 0 HG23 THR A 99 -15.417 -3.583 -2.196 1.00 0.92 H new ATOM 1446 N LEU A 100 -11.317 -6.161 -1.286 1.00 0.59 N ATOM 1447 CA LEU A 100 -10.212 -7.102 -1.260 1.00 0.61 C ATOM 1448 C LEU A 100 -9.840 -7.355 0.186 1.00 0.66 C ATOM 1449 O LEU A 100 -9.714 -6.409 0.963 1.00 0.93 O ATOM 1450 CB LEU A 100 -9.009 -6.514 -2.005 1.00 0.60 C ATOM 1451 CG LEU A 100 -8.124 -7.517 -2.754 1.00 0.69 C ATOM 1452 CD1 LEU A 100 -7.184 -6.780 -3.691 1.00 1.08 C ATOM 1453 CD2 LEU A 100 -7.322 -8.371 -1.782 1.00 0.73 C ATOM 0 H LEU A 100 -11.032 -5.182 -1.320 1.00 0.59 H new ATOM 0 HA LEU A 100 -10.502 -8.034 -1.746 1.00 0.61 H new ATOM 0 HB2 LEU A 100 -9.375 -5.778 -2.721 1.00 0.60 H new ATOM 0 HB3 LEU A 100 -8.388 -5.979 -1.286 1.00 0.60 H new ATOM 0 HG LEU A 100 -8.771 -8.175 -3.334 1.00 0.69 H new ATOM 0 HD11 LEU A 100 -6.559 -7.500 -4.219 1.00 1.08 H new ATOM 0 HD12 LEU A 100 -7.766 -6.206 -4.412 1.00 1.08 H new ATOM 0 HD13 LEU A 100 -6.552 -6.104 -3.115 1.00 1.08 H new ATOM 0 HD21 LEU A 100 -6.703 -9.074 -2.340 1.00 0.73 H new ATOM 0 HD22 LEU A 100 -6.684 -7.729 -1.174 1.00 0.73 H new ATOM 0 HD23 LEU A 100 -8.004 -8.923 -1.135 1.00 0.73 H new ATOM 1465 N ASN A 101 -9.670 -8.612 0.557 1.00 0.60 N ATOM 1466 CA ASN A 101 -9.334 -8.925 1.931 1.00 0.66 C ATOM 1467 C ASN A 101 -7.866 -8.616 2.202 1.00 0.70 C ATOM 1468 O ASN A 101 -7.001 -9.497 2.163 1.00 0.79 O ATOM 1469 CB ASN A 101 -9.636 -10.383 2.263 1.00 0.80 C ATOM 1470 CG ASN A 101 -9.506 -10.665 3.748 1.00 0.93 C ATOM 1471 OD1 ASN A 101 -9.869 -9.689 4.573 1.00 1.29 O flip ATOM 1472 ND2 ASN A 101 -9.097 -11.754 4.152 1.00 1.12 N flip ATOM 0 H ASN A 101 -9.757 -9.418 -0.062 1.00 0.60 H new ATOM 0 HA ASN A 101 -9.954 -8.300 2.574 1.00 0.66 H new ATOM 0 HB2 ASN A 101 -10.646 -10.628 1.934 1.00 0.80 H new ATOM 0 HB3 ASN A 101 -8.955 -11.030 1.710 1.00 0.80 H new ATOM 0 HD21 ASN A 101 -8.828 -12.477 3.485 1.00 1.12 H new ATOM 0 HD22 ASN A 101 -9.027 -11.933 5.154 1.00 1.12 H new ATOM 1479 N LEU A 102 -7.589 -7.350 2.463 1.00 0.76 N ATOM 1480 CA LEU A 102 -6.240 -6.904 2.759 1.00 0.88 C ATOM 1481 C LEU A 102 -5.971 -7.011 4.248 1.00 0.99 C ATOM 1482 O LEU A 102 -5.974 -6.020 4.975 1.00 1.50 O ATOM 1483 CB LEU A 102 -6.012 -5.474 2.265 1.00 1.07 C ATOM 1484 CG LEU A 102 -6.049 -5.301 0.743 1.00 1.01 C ATOM 1485 CD1 LEU A 102 -5.860 -3.841 0.367 1.00 1.55 C ATOM 1486 CD2 LEU A 102 -4.979 -6.158 0.085 1.00 1.47 C ATOM 0 H LEU A 102 -8.288 -6.607 2.476 1.00 0.76 H new ATOM 0 HA LEU A 102 -5.539 -7.551 2.231 1.00 0.88 H new ATOM 0 HB2 LEU A 102 -6.770 -4.828 2.708 1.00 1.07 H new ATOM 0 HB3 LEU A 102 -5.045 -5.129 2.631 1.00 1.07 H new ATOM 0 HG LEU A 102 -7.025 -5.627 0.384 1.00 1.01 H new ATOM 0 HD11 LEU A 102 -5.889 -3.738 -0.718 1.00 1.55 H new ATOM 0 HD12 LEU A 102 -6.658 -3.245 0.810 1.00 1.55 H new ATOM 0 HD13 LEU A 102 -4.897 -3.491 0.739 1.00 1.55 H new ATOM 0 HD21 LEU A 102 -5.019 -6.023 -0.996 1.00 1.47 H new ATOM 0 HD22 LEU A 102 -3.997 -5.859 0.452 1.00 1.47 H new ATOM 0 HD23 LEU A 102 -5.153 -7.207 0.327 1.00 1.47 H new ATOM 1498 N GLY A 103 -5.810 -8.242 4.688 1.00 0.92 N ATOM 1499 CA GLY A 103 -5.450 -8.516 6.061 1.00 1.04 C ATOM 1500 C GLY A 103 -4.600 -9.760 6.157 1.00 1.12 C ATOM 1501 O GLY A 103 -3.570 -9.777 6.828 1.00 1.70 O ATOM 0 H GLY A 103 -5.924 -9.073 4.108 1.00 0.92 H new ATOM 0 HA2 GLY A 103 -4.907 -7.667 6.475 1.00 1.04 H new ATOM 0 HA3 GLY A 103 -6.352 -8.640 6.660 1.00 1.04 H new ATOM 1505 N THR A 104 -5.030 -10.805 5.468 1.00 1.03 N ATOM 1506 CA THR A 104 -4.291 -12.054 5.422 1.00 1.28 C ATOM 1507 C THR A 104 -2.993 -11.897 4.632 1.00 1.06 C ATOM 1508 O THR A 104 -1.916 -12.232 5.114 1.00 1.25 O ATOM 1509 CB THR A 104 -5.155 -13.164 4.799 1.00 1.73 C ATOM 1510 OG1 THR A 104 -6.423 -13.200 5.466 1.00 2.31 O ATOM 1511 CG2 THR A 104 -4.479 -14.525 4.912 1.00 2.21 C ATOM 0 H THR A 104 -5.896 -10.811 4.929 1.00 1.03 H new ATOM 0 HA THR A 104 -4.037 -12.331 6.445 1.00 1.28 H new ATOM 0 HB THR A 104 -5.290 -12.943 3.740 1.00 1.73 H new ATOM 0 HG1 THR A 104 -6.980 -13.904 5.073 1.00 2.31 H new ATOM 0 HG21 THR A 104 -5.116 -15.286 4.462 1.00 2.21 H new ATOM 0 HG22 THR A 104 -3.521 -14.500 4.392 1.00 2.21 H new ATOM 0 HG23 THR A 104 -4.315 -14.764 5.963 1.00 2.21 H new ATOM 1519 N SER A 105 -3.089 -11.355 3.430 1.00 0.97 N ATOM 1520 CA SER A 105 -1.921 -11.212 2.579 1.00 1.06 C ATOM 1521 C SER A 105 -1.412 -9.774 2.583 1.00 1.02 C ATOM 1522 O SER A 105 -0.732 -9.342 1.656 1.00 1.48 O ATOM 1523 CB SER A 105 -2.263 -11.653 1.161 1.00 1.35 C ATOM 1524 OG SER A 105 -2.856 -12.939 1.169 1.00 2.06 O ATOM 0 H SER A 105 -3.958 -11.009 3.023 1.00 0.97 H new ATOM 0 HA SER A 105 -1.126 -11.847 2.970 1.00 1.06 H new ATOM 0 HB2 SER A 105 -2.945 -10.935 0.705 1.00 1.35 H new ATOM 0 HB3 SER A 105 -1.360 -11.667 0.551 1.00 1.35 H new ATOM 0 HG SER A 105 -2.223 -13.594 0.807 1.00 2.06 H new ATOM 1530 N ALA A 106 -1.724 -9.036 3.640 1.00 0.76 N ATOM 1531 CA ALA A 106 -1.277 -7.657 3.759 1.00 0.73 C ATOM 1532 C ALA A 106 -0.592 -7.420 5.098 1.00 0.59 C ATOM 1533 O ALA A 106 -1.010 -7.966 6.117 1.00 0.67 O ATOM 1534 CB ALA A 106 -2.448 -6.700 3.586 1.00 0.90 C ATOM 0 H ALA A 106 -2.284 -9.369 4.425 1.00 0.76 H new ATOM 0 HA ALA A 106 -0.552 -7.468 2.968 1.00 0.73 H new ATOM 0 HB1 ALA A 106 -2.095 -5.673 3.678 1.00 0.90 H new ATOM 0 HB2 ALA A 106 -2.893 -6.844 2.601 1.00 0.90 H new ATOM 0 HB3 ALA A 106 -3.196 -6.897 4.354 1.00 0.90 H new ATOM 1540 N LYS A 107 0.469 -6.620 5.089 1.00 0.51 N ATOM 1541 CA LYS A 107 1.133 -6.224 6.325 1.00 0.47 C ATOM 1542 C LYS A 107 0.303 -5.141 7.006 1.00 0.51 C ATOM 1543 O LYS A 107 0.280 -5.032 8.231 1.00 0.70 O ATOM 1544 CB LYS A 107 2.549 -5.685 6.060 1.00 0.58 C ATOM 1545 CG LYS A 107 3.684 -6.585 6.537 1.00 0.99 C ATOM 1546 CD LYS A 107 3.925 -7.761 5.607 1.00 0.67 C ATOM 1547 CE LYS A 107 5.266 -8.422 5.903 1.00 1.07 C ATOM 1548 NZ LYS A 107 5.514 -9.625 5.058 1.00 1.69 N ATOM 0 H LYS A 107 0.886 -6.234 4.242 1.00 0.51 H new ATOM 0 HA LYS A 107 1.221 -7.103 6.964 1.00 0.47 H new ATOM 0 HB2 LYS A 107 2.663 -5.519 4.989 1.00 0.58 H new ATOM 0 HB3 LYS A 107 2.648 -4.714 6.545 1.00 0.58 H new ATOM 0 HG2 LYS A 107 4.599 -5.998 6.619 1.00 0.99 H new ATOM 0 HG3 LYS A 107 3.453 -6.957 7.535 1.00 0.99 H new ATOM 0 HD2 LYS A 107 3.123 -8.490 5.721 1.00 0.67 H new ATOM 0 HD3 LYS A 107 3.903 -7.421 4.571 1.00 0.67 H new ATOM 0 HE2 LYS A 107 6.066 -7.699 5.742 1.00 1.07 H new ATOM 0 HE3 LYS A 107 5.301 -8.708 6.954 1.00 1.07 H new ATOM 0 HZ1 LYS A 107 6.490 -9.955 5.202 1.00 1.69 H new ATOM 0 HZ2 LYS A 107 4.850 -10.380 5.325 1.00 1.69 H new ATOM 0 HZ3 LYS A 107 5.375 -9.381 4.057 1.00 1.69 H new ATOM 1562 N GLY A 108 -0.372 -4.341 6.185 1.00 0.50 N ATOM 1563 CA GLY A 108 -1.221 -3.280 6.687 1.00 0.61 C ATOM 1564 C GLY A 108 -1.589 -2.297 5.608 1.00 0.58 C ATOM 1565 O GLY A 108 -0.735 -1.857 4.842 1.00 0.81 O ATOM 0 H GLY A 108 -0.343 -4.413 5.168 1.00 0.50 H new ATOM 0 HA2 GLY A 108 -2.128 -3.711 7.110 1.00 0.61 H new ATOM 0 HA3 GLY A 108 -0.709 -2.757 7.495 1.00 0.61 H new ATOM 1569 N TYR A 109 -2.855 -1.942 5.552 1.00 0.52 N ATOM 1570 CA TYR A 109 -3.336 -1.028 4.538 1.00 0.49 C ATOM 1571 C TYR A 109 -3.731 0.300 5.183 1.00 0.47 C ATOM 1572 O TYR A 109 -4.589 0.338 6.058 1.00 0.51 O ATOM 1573 CB TYR A 109 -4.517 -1.681 3.806 1.00 0.58 C ATOM 1574 CG TYR A 109 -5.231 -0.792 2.808 1.00 0.57 C ATOM 1575 CD1 TYR A 109 -4.571 0.275 2.220 1.00 0.98 C ATOM 1576 CD2 TYR A 109 -6.550 -1.021 2.458 1.00 1.25 C ATOM 1577 CE1 TYR A 109 -5.208 1.092 1.308 1.00 1.13 C ATOM 1578 CE2 TYR A 109 -7.197 -0.210 1.548 1.00 1.39 C ATOM 1579 CZ TYR A 109 -6.556 0.825 0.984 1.00 0.99 C ATOM 1580 OH TYR A 109 -7.152 1.652 0.064 1.00 1.28 O ATOM 0 H TYR A 109 -3.571 -2.273 6.198 1.00 0.52 H new ATOM 0 HA TYR A 109 -2.553 -0.816 3.810 1.00 0.49 H new ATOM 0 HB2 TYR A 109 -4.155 -2.567 3.285 1.00 0.58 H new ATOM 0 HB3 TYR A 109 -5.240 -2.021 4.548 1.00 0.58 H new ATOM 0 HD1 TYR A 109 -3.541 0.471 2.480 1.00 0.98 H new ATOM 0 HD2 TYR A 109 -7.082 -1.848 2.904 1.00 1.25 H new ATOM 0 HE1 TYR A 109 -4.685 1.919 0.851 1.00 1.13 H new ATOM 0 HE2 TYR A 109 -8.226 -0.410 1.288 1.00 1.39 H new ATOM 0 HH TYR A 109 -8.079 1.368 -0.078 1.00 1.28 H new ATOM 1590 N GLY A 110 -3.123 1.388 4.732 1.00 0.45 N ATOM 1591 CA GLY A 110 -3.388 2.678 5.331 1.00 0.48 C ATOM 1592 C GLY A 110 -3.701 3.739 4.307 1.00 0.52 C ATOM 1593 O GLY A 110 -3.503 3.532 3.110 1.00 0.85 O ATOM 0 H GLY A 110 -2.452 1.400 3.964 1.00 0.45 H new ATOM 0 HA2 GLY A 110 -4.225 2.588 6.023 1.00 0.48 H new ATOM 0 HA3 GLY A 110 -2.522 2.987 5.916 1.00 0.48 H new ATOM 1597 N VAL A 111 -4.223 4.869 4.768 1.00 0.44 N ATOM 1598 CA VAL A 111 -4.504 5.991 3.900 1.00 0.50 C ATOM 1599 C VAL A 111 -3.824 7.251 4.411 1.00 0.50 C ATOM 1600 O VAL A 111 -3.870 7.554 5.604 1.00 0.52 O ATOM 1601 CB VAL A 111 -6.020 6.246 3.776 1.00 0.64 C ATOM 1602 CG1 VAL A 111 -6.718 5.043 3.174 1.00 1.25 C ATOM 1603 CG2 VAL A 111 -6.638 6.604 5.117 1.00 1.53 C ATOM 0 H VAL A 111 -4.460 5.027 5.748 1.00 0.44 H new ATOM 0 HA VAL A 111 -4.111 5.740 2.915 1.00 0.50 H new ATOM 0 HB VAL A 111 -6.156 7.098 3.110 1.00 0.64 H new ATOM 0 HG11 VAL A 111 -7.786 5.244 3.095 1.00 1.25 H new ATOM 0 HG12 VAL A 111 -6.312 4.845 2.182 1.00 1.25 H new ATOM 0 HG13 VAL A 111 -6.558 4.173 3.811 1.00 1.25 H new ATOM 0 HG21 VAL A 111 -7.707 6.777 4.991 1.00 1.53 H new ATOM 0 HG22 VAL A 111 -6.483 5.785 5.819 1.00 1.53 H new ATOM 0 HG23 VAL A 111 -6.168 7.508 5.505 1.00 1.53 H new ATOM 1613 N ASN A 112 -3.180 7.969 3.500 1.00 0.53 N ATOM 1614 CA ASN A 112 -2.518 9.233 3.826 1.00 0.60 C ATOM 1615 C ASN A 112 -1.378 9.050 4.828 1.00 0.56 C ATOM 1616 O ASN A 112 -0.999 9.994 5.521 1.00 0.69 O ATOM 1617 CB ASN A 112 -3.529 10.253 4.370 1.00 0.69 C ATOM 1618 CG ASN A 112 -4.455 10.790 3.299 1.00 0.79 C ATOM 1619 OD1 ASN A 112 -4.131 11.759 2.619 1.00 1.07 O ATOM 1620 ND2 ASN A 112 -5.625 10.183 3.151 1.00 1.16 N ATOM 0 H ASN A 112 -3.100 7.697 2.520 1.00 0.53 H new ATOM 0 HA ASN A 112 -2.088 9.609 2.898 1.00 0.60 H new ATOM 0 HB2 ASN A 112 -4.122 9.786 5.156 1.00 0.69 H new ATOM 0 HB3 ASN A 112 -2.990 11.083 4.828 1.00 0.69 H new ATOM 0 HD21 ASN A 112 -6.289 10.519 2.454 1.00 1.16 H new ATOM 0 HD22 ASN A 112 -5.860 9.380 3.734 1.00 1.16 H new ATOM 1627 N ILE A 113 -0.821 7.846 4.899 1.00 0.54 N ATOM 1628 CA ILE A 113 0.330 7.600 5.760 1.00 0.54 C ATOM 1629 C ILE A 113 1.600 8.137 5.106 1.00 0.60 C ATOM 1630 O ILE A 113 2.046 7.635 4.069 1.00 0.73 O ATOM 1631 CB ILE A 113 0.511 6.093 6.110 1.00 0.58 C ATOM 1632 CG1 ILE A 113 -0.375 5.691 7.294 1.00 0.77 C ATOM 1633 CG2 ILE A 113 1.968 5.763 6.431 1.00 0.76 C ATOM 1634 CD1 ILE A 113 -1.855 5.686 6.997 1.00 0.83 C ATOM 0 H ILE A 113 -1.144 7.032 4.376 1.00 0.54 H new ATOM 0 HA ILE A 113 0.143 8.127 6.696 1.00 0.54 H new ATOM 0 HB ILE A 113 0.210 5.525 5.230 1.00 0.58 H new ATOM 0 HG12 ILE A 113 -0.082 4.696 7.629 1.00 0.77 H new ATOM 0 HG13 ILE A 113 -0.186 6.375 8.121 1.00 0.77 H new ATOM 0 HG21 ILE A 113 2.057 4.703 6.670 1.00 0.76 H new ATOM 0 HG22 ILE A 113 2.592 5.993 5.567 1.00 0.76 H new ATOM 0 HG23 ILE A 113 2.296 6.357 7.284 1.00 0.76 H new ATOM 0 HD11 ILE A 113 -2.404 5.390 7.891 1.00 0.83 H new ATOM 0 HD12 ILE A 113 -2.168 6.685 6.693 1.00 0.83 H new ATOM 0 HD13 ILE A 113 -2.062 4.980 6.193 1.00 0.83 H new ATOM 1646 N SER A 114 2.157 9.181 5.700 1.00 0.60 N ATOM 1647 CA SER A 114 3.415 9.732 5.240 1.00 0.70 C ATOM 1648 C SER A 114 4.534 9.242 6.151 1.00 0.67 C ATOM 1649 O SER A 114 4.786 9.810 7.217 1.00 0.77 O ATOM 1650 CB SER A 114 3.359 11.264 5.216 1.00 0.83 C ATOM 1651 OG SER A 114 4.426 11.803 4.456 1.00 1.58 O ATOM 0 H SER A 114 1.754 9.662 6.504 1.00 0.60 H new ATOM 0 HA SER A 114 3.608 9.396 4.221 1.00 0.70 H new ATOM 0 HB2 SER A 114 2.408 11.589 4.794 1.00 0.83 H new ATOM 0 HB3 SER A 114 3.404 11.648 6.235 1.00 0.83 H new ATOM 0 HG SER A 114 4.564 12.741 4.705 1.00 1.58 H new ATOM 1657 N GLY A 115 5.179 8.163 5.734 1.00 0.70 N ATOM 1658 CA GLY A 115 6.190 7.527 6.553 1.00 0.70 C ATOM 1659 C GLY A 115 6.139 6.024 6.420 1.00 0.70 C ATOM 1660 O GLY A 115 5.978 5.314 7.406 1.00 0.75 O ATOM 0 H GLY A 115 5.018 7.712 4.833 1.00 0.70 H new ATOM 0 HA2 GLY A 115 7.177 7.887 6.261 1.00 0.70 H new ATOM 0 HA3 GLY A 115 6.045 7.807 7.596 1.00 0.70 H new ATOM 1664 N GLU A 116 6.289 5.544 5.192 1.00 0.73 N ATOM 1665 CA GLU A 116 6.153 4.131 4.888 1.00 0.77 C ATOM 1666 C GLU A 116 7.205 3.292 5.609 1.00 0.75 C ATOM 1667 O GLU A 116 6.983 2.116 5.886 1.00 0.84 O ATOM 1668 CB GLU A 116 6.254 3.923 3.387 1.00 0.82 C ATOM 1669 CG GLU A 116 5.165 4.625 2.597 1.00 0.97 C ATOM 1670 CD GLU A 116 5.183 4.236 1.137 1.00 1.60 C ATOM 1671 OE1 GLU A 116 4.799 3.098 0.803 1.00 2.05 O ATOM 1672 OE2 GLU A 116 5.576 5.073 0.317 1.00 2.30 O ATOM 0 H GLU A 116 6.508 6.124 4.382 1.00 0.73 H new ATOM 0 HA GLU A 116 5.176 3.801 5.241 1.00 0.77 H new ATOM 0 HB2 GLU A 116 7.226 4.280 3.045 1.00 0.82 H new ATOM 0 HB3 GLU A 116 6.213 2.855 3.174 1.00 0.82 H new ATOM 0 HG2 GLU A 116 4.193 4.381 3.025 1.00 0.97 H new ATOM 0 HG3 GLU A 116 5.291 5.704 2.686 1.00 0.97 H new ATOM 1679 N ASN A 117 8.345 3.908 5.913 1.00 0.67 N ATOM 1680 CA ASN A 117 9.409 3.237 6.663 1.00 0.67 C ATOM 1681 C ASN A 117 8.880 2.645 7.968 1.00 0.69 C ATOM 1682 O ASN A 117 9.360 1.611 8.432 1.00 0.75 O ATOM 1683 CB ASN A 117 10.562 4.203 6.945 1.00 0.71 C ATOM 1684 CG ASN A 117 11.606 4.190 5.845 1.00 1.03 C ATOM 1685 OD1 ASN A 117 11.479 4.887 4.844 1.00 1.95 O ATOM 1686 ND2 ASN A 117 12.659 3.411 6.036 1.00 0.96 N ATOM 0 H ASN A 117 8.558 4.871 5.652 1.00 0.67 H new ATOM 0 HA ASN A 117 9.782 2.418 6.048 1.00 0.67 H new ATOM 0 HB2 ASN A 117 10.168 5.213 7.057 1.00 0.71 H new ATOM 0 HB3 ASN A 117 11.032 3.938 7.892 1.00 0.71 H new ATOM 0 HD21 ASN A 117 13.401 3.376 5.337 1.00 0.96 H new ATOM 0 HD22 ASN A 117 12.728 2.846 6.882 1.00 0.96 H new ATOM 1693 N ASN A 118 7.884 3.298 8.548 1.00 0.70 N ATOM 1694 CA ASN A 118 7.211 2.777 9.727 1.00 0.80 C ATOM 1695 C ASN A 118 5.772 3.287 9.785 1.00 0.82 C ATOM 1696 O ASN A 118 5.468 4.290 10.424 1.00 1.00 O ATOM 1697 CB ASN A 118 7.988 3.103 11.018 1.00 0.90 C ATOM 1698 CG ASN A 118 8.238 4.586 11.248 1.00 1.75 C ATOM 1699 OD1 ASN A 118 7.436 5.276 11.877 1.00 2.60 O ATOM 1700 ND2 ASN A 118 9.371 5.080 10.773 1.00 2.33 N ATOM 0 H ASN A 118 7.523 4.194 8.219 1.00 0.70 H new ATOM 0 HA ASN A 118 7.181 1.690 9.649 1.00 0.80 H new ATOM 0 HB2 ASN A 118 7.436 2.704 11.869 1.00 0.90 H new ATOM 0 HB3 ASN A 118 8.947 2.586 10.990 1.00 0.90 H new ATOM 0 HD21 ASN A 118 9.602 6.062 10.924 1.00 2.33 H new ATOM 0 HD22 ASN A 118 10.012 4.479 10.256 1.00 2.33 H new ATOM 1707 N ILE A 119 4.899 2.603 9.057 1.00 0.78 N ATOM 1708 CA ILE A 119 3.484 2.949 9.008 1.00 0.87 C ATOM 1709 C ILE A 119 2.857 2.901 10.411 1.00 0.71 C ATOM 1710 O ILE A 119 3.311 2.155 11.285 1.00 0.73 O ATOM 1711 CB ILE A 119 2.726 2.008 8.032 1.00 1.22 C ATOM 1712 CG1 ILE A 119 1.250 2.408 7.910 1.00 1.45 C ATOM 1713 CG2 ILE A 119 2.853 0.558 8.476 1.00 1.38 C ATOM 1714 CD1 ILE A 119 0.479 1.606 6.879 1.00 2.02 C ATOM 0 H ILE A 119 5.150 1.796 8.486 1.00 0.78 H new ATOM 0 HA ILE A 119 3.396 3.970 8.637 1.00 0.87 H new ATOM 0 HB ILE A 119 3.183 2.109 7.048 1.00 1.22 H new ATOM 0 HG12 ILE A 119 0.770 2.289 8.881 1.00 1.45 H new ATOM 0 HG13 ILE A 119 1.190 3.465 7.652 1.00 1.45 H new ATOM 0 HG21 ILE A 119 2.315 -0.084 7.779 1.00 1.38 H new ATOM 0 HG22 ILE A 119 3.905 0.274 8.493 1.00 1.38 H new ATOM 0 HG23 ILE A 119 2.430 0.445 9.474 1.00 1.38 H new ATOM 0 HD11 ILE A 119 -0.556 1.947 6.852 1.00 2.02 H new ATOM 0 HD12 ILE A 119 0.932 1.744 5.897 1.00 2.02 H new ATOM 0 HD13 ILE A 119 0.506 0.549 7.146 1.00 2.02 H new ATOM 1726 N THR A 120 1.829 3.716 10.614 1.00 0.70 N ATOM 1727 CA THR A 120 1.185 3.850 11.912 1.00 0.64 C ATOM 1728 C THR A 120 0.367 2.612 12.279 1.00 0.56 C ATOM 1729 O THR A 120 0.215 1.693 11.471 1.00 0.54 O ATOM 1730 CB THR A 120 0.276 5.095 11.934 1.00 0.79 C ATOM 1731 OG1 THR A 120 -0.577 5.099 10.780 1.00 1.59 O ATOM 1732 CG2 THR A 120 1.105 6.373 11.968 1.00 1.33 C ATOM 0 H THR A 120 1.420 4.301 9.885 1.00 0.70 H new ATOM 0 HA THR A 120 1.977 3.960 12.653 1.00 0.64 H new ATOM 0 HB THR A 120 -0.335 5.057 12.836 1.00 0.79 H new ATOM 0 HG1 THR A 120 -1.153 5.892 10.802 1.00 1.59 H new ATOM 0 HG21 THR A 120 0.441 7.237 11.983 1.00 1.33 H new ATOM 0 HG22 THR A 120 1.728 6.379 12.862 1.00 1.33 H new ATOM 0 HG23 THR A 120 1.740 6.419 11.083 1.00 1.33 H new ATOM 1740 N SER A 121 -0.145 2.593 13.507 1.00 0.57 N ATOM 1741 CA SER A 121 -0.965 1.489 13.992 1.00 0.55 C ATOM 1742 C SER A 121 -2.226 1.310 13.146 1.00 0.52 C ATOM 1743 O SER A 121 -2.691 2.245 12.489 1.00 0.57 O ATOM 1744 CB SER A 121 -1.327 1.722 15.458 1.00 0.65 C ATOM 1745 OG SER A 121 -1.652 3.082 15.694 1.00 1.27 O ATOM 0 H SER A 121 -0.004 3.338 14.189 1.00 0.57 H new ATOM 0 HA SER A 121 -0.386 0.570 13.907 1.00 0.55 H new ATOM 0 HB2 SER A 121 -2.172 1.090 15.732 1.00 0.65 H new ATOM 0 HB3 SER A 121 -0.491 1.429 16.093 1.00 0.65 H new ATOM 0 HG SER A 121 -1.882 3.204 16.639 1.00 1.27 H new ATOM 1751 N PHE A 122 -2.780 0.106 13.182 1.00 0.49 N ATOM 1752 CA PHE A 122 -3.886 -0.259 12.311 1.00 0.50 C ATOM 1753 C PHE A 122 -5.193 -0.379 13.084 1.00 0.53 C ATOM 1754 O PHE A 122 -5.205 -0.722 14.266 1.00 0.68 O ATOM 1755 CB PHE A 122 -3.577 -1.586 11.616 1.00 0.52 C ATOM 1756 CG PHE A 122 -2.238 -1.612 10.934 1.00 0.52 C ATOM 1757 CD1 PHE A 122 -2.070 -1.019 9.694 1.00 0.53 C ATOM 1758 CD2 PHE A 122 -1.153 -2.232 11.528 1.00 0.61 C ATOM 1759 CE1 PHE A 122 -0.844 -1.045 9.059 1.00 0.59 C ATOM 1760 CE2 PHE A 122 0.075 -2.262 10.899 1.00 0.66 C ATOM 1761 CZ PHE A 122 0.242 -1.648 9.685 1.00 0.63 C ATOM 0 H PHE A 122 -2.478 -0.639 13.810 1.00 0.49 H new ATOM 0 HA PHE A 122 -4.005 0.531 11.570 1.00 0.50 H new ATOM 0 HB2 PHE A 122 -3.616 -2.389 12.352 1.00 0.52 H new ATOM 0 HB3 PHE A 122 -4.354 -1.790 10.880 1.00 0.52 H new ATOM 0 HD1 PHE A 122 -2.907 -0.531 9.218 1.00 0.53 H new ATOM 0 HD2 PHE A 122 -1.268 -2.698 12.495 1.00 0.61 H new ATOM 0 HE1 PHE A 122 -0.729 -0.600 8.082 1.00 0.59 H new ATOM 0 HE2 PHE A 122 0.906 -2.770 11.364 1.00 0.66 H new ATOM 0 HZ PHE A 122 1.215 -1.632 9.216 1.00 0.63 H new ATOM 1771 N GLY A 123 -6.288 -0.082 12.399 1.00 0.53 N ATOM 1772 CA GLY A 123 -7.607 -0.229 12.976 1.00 0.60 C ATOM 1773 C GLY A 123 -8.572 -0.845 11.984 1.00 0.67 C ATOM 1774 O GLY A 123 -8.245 -1.839 11.336 1.00 1.24 O ATOM 0 H GLY A 123 -6.284 0.263 11.439 1.00 0.53 H new ATOM 0 HA2 GLY A 123 -7.550 -0.853 13.868 1.00 0.60 H new ATOM 0 HA3 GLY A 123 -7.979 0.745 13.293 1.00 0.60 H new ATOM 1778 N ASN A 124 -9.751 -0.252 11.850 1.00 0.58 N ATOM 1779 CA ASN A 124 -10.755 -0.735 10.902 1.00 0.60 C ATOM 1780 C ASN A 124 -11.502 0.426 10.264 1.00 0.61 C ATOM 1781 O ASN A 124 -12.706 0.345 10.021 1.00 0.99 O ATOM 1782 CB ASN A 124 -11.759 -1.673 11.588 1.00 0.81 C ATOM 1783 CG ASN A 124 -11.224 -3.081 11.770 1.00 1.83 C ATOM 1784 OD1 ASN A 124 -10.657 -3.417 12.810 1.00 2.63 O ATOM 1785 ND2 ASN A 124 -11.404 -3.918 10.755 1.00 2.45 N ATOM 0 H ASN A 124 -10.039 0.567 12.386 1.00 0.58 H new ATOM 0 HA ASN A 124 -10.228 -1.290 10.126 1.00 0.60 H new ATOM 0 HB2 ASN A 124 -12.025 -1.262 12.562 1.00 0.81 H new ATOM 0 HB3 ASN A 124 -12.674 -1.711 10.998 1.00 0.81 H new ATOM 0 HD21 ASN A 124 -11.067 -4.879 10.820 1.00 2.45 H new ATOM 0 HD22 ASN A 124 -11.879 -3.600 9.910 1.00 2.45 H new ATOM 1792 N SER A 125 -10.784 1.505 9.996 1.00 0.51 N ATOM 1793 CA SER A 125 -11.377 2.675 9.368 1.00 0.55 C ATOM 1794 C SER A 125 -10.289 3.540 8.761 1.00 0.49 C ATOM 1795 O SER A 125 -9.406 4.030 9.470 1.00 0.64 O ATOM 1796 CB SER A 125 -12.162 3.490 10.396 1.00 0.73 C ATOM 1797 OG SER A 125 -12.960 4.481 9.766 1.00 1.33 O ATOM 0 H SER A 125 -9.789 1.595 10.204 1.00 0.51 H new ATOM 0 HA SER A 125 -12.058 2.342 8.584 1.00 0.55 H new ATOM 0 HB2 SER A 125 -12.798 2.826 10.981 1.00 0.73 H new ATOM 0 HB3 SER A 125 -11.471 3.965 11.092 1.00 0.73 H new ATOM 0 HG SER A 125 -13.452 4.986 10.447 1.00 1.33 H new ATOM 1803 N ALA A 126 -10.334 3.710 7.457 1.00 0.61 N ATOM 1804 CA ALA A 126 -9.359 4.535 6.785 1.00 0.57 C ATOM 1805 C ALA A 126 -9.796 5.994 6.741 1.00 0.73 C ATOM 1806 O ALA A 126 -10.683 6.368 5.977 1.00 1.25 O ATOM 1807 CB ALA A 126 -9.119 4.017 5.385 1.00 0.62 C ATOM 0 H ALA A 126 -11.033 3.289 6.845 1.00 0.61 H new ATOM 0 HA ALA A 126 -8.429 4.485 7.351 1.00 0.57 H new ATOM 0 HB1 ALA A 126 -8.382 4.646 4.886 1.00 0.62 H new ATOM 0 HB2 ALA A 126 -8.749 2.993 5.434 1.00 0.62 H new ATOM 0 HB3 ALA A 126 -10.053 4.038 4.824 1.00 0.62 H new ATOM 1813 N ASP A 127 -9.160 6.803 7.566 1.00 0.96 N ATOM 1814 CA ASP A 127 -9.335 8.250 7.549 1.00 1.08 C ATOM 1815 C ASP A 127 -8.132 8.880 8.225 1.00 0.90 C ATOM 1816 O ASP A 127 -8.088 8.994 9.450 1.00 1.34 O ATOM 1817 CB ASP A 127 -10.638 8.667 8.245 1.00 1.42 C ATOM 1818 CG ASP A 127 -10.839 10.176 8.266 1.00 1.53 C ATOM 1819 OD1 ASP A 127 -11.027 10.772 7.181 1.00 2.08 O ATOM 1820 OD2 ASP A 127 -10.801 10.775 9.364 1.00 1.40 O ATOM 0 H ASP A 127 -8.502 6.476 8.273 1.00 0.96 H new ATOM 0 HA ASP A 127 -9.408 8.596 6.518 1.00 1.08 H new ATOM 0 HB2 ASP A 127 -11.482 8.200 7.737 1.00 1.42 H new ATOM 0 HB3 ASP A 127 -10.634 8.291 9.268 1.00 1.42 H new ATOM 1825 N GLN A 128 -7.127 9.220 7.414 1.00 0.95 N ATOM 1826 CA GLN A 128 -5.813 9.644 7.910 1.00 0.92 C ATOM 1827 C GLN A 128 -5.176 8.541 8.757 1.00 0.83 C ATOM 1828 O GLN A 128 -4.218 8.779 9.493 1.00 1.02 O ATOM 1829 CB GLN A 128 -5.922 10.930 8.734 1.00 1.02 C ATOM 1830 CG GLN A 128 -6.361 12.145 7.936 1.00 1.17 C ATOM 1831 CD GLN A 128 -6.463 13.388 8.798 1.00 1.60 C ATOM 1832 OE1 GLN A 128 -7.518 13.685 9.359 1.00 1.72 O ATOM 1833 NE2 GLN A 128 -5.365 14.116 8.920 1.00 2.54 N ATOM 0 H GLN A 128 -7.200 9.210 6.397 1.00 0.95 H new ATOM 0 HA GLN A 128 -5.181 9.840 7.044 1.00 0.92 H new ATOM 0 HB2 GLN A 128 -6.630 10.768 9.547 1.00 1.02 H new ATOM 0 HB3 GLN A 128 -4.954 11.139 9.190 1.00 1.02 H new ATOM 0 HG2 GLN A 128 -5.652 12.322 7.127 1.00 1.17 H new ATOM 0 HG3 GLN A 128 -7.328 11.945 7.474 1.00 1.17 H new ATOM 0 HE21 GLN A 128 -4.511 13.835 8.438 1.00 2.54 H new ATOM 0 HE22 GLN A 128 -5.373 14.958 9.496 1.00 2.54 H new ATOM 1842 N ALA A 129 -5.691 7.325 8.615 1.00 0.65 N ATOM 1843 CA ALA A 129 -5.291 6.216 9.466 1.00 0.63 C ATOM 1844 C ALA A 129 -5.143 4.932 8.663 1.00 0.52 C ATOM 1845 O ALA A 129 -5.566 4.856 7.505 1.00 0.47 O ATOM 1846 CB ALA A 129 -6.308 6.018 10.582 1.00 0.69 C ATOM 0 H ALA A 129 -6.391 7.084 7.913 1.00 0.65 H new ATOM 0 HA ALA A 129 -4.322 6.458 9.902 1.00 0.63 H new ATOM 0 HB1 ALA A 129 -5.998 5.185 11.213 1.00 0.69 H new ATOM 0 HB2 ALA A 129 -6.370 6.925 11.183 1.00 0.69 H new ATOM 0 HB3 ALA A 129 -7.285 5.802 10.150 1.00 0.69 H new ATOM 1852 N ALA A 130 -4.543 3.931 9.280 1.00 0.54 N ATOM 1853 CA ALA A 130 -4.385 2.630 8.658 1.00 0.50 C ATOM 1854 C ALA A 130 -5.342 1.625 9.283 1.00 0.47 C ATOM 1855 O ALA A 130 -5.830 1.830 10.395 1.00 0.53 O ATOM 1856 CB ALA A 130 -2.948 2.156 8.802 1.00 0.58 C ATOM 0 H ALA A 130 -4.154 3.996 10.221 1.00 0.54 H new ATOM 0 HA ALA A 130 -4.621 2.716 7.597 1.00 0.50 H new ATOM 0 HB1 ALA A 130 -2.838 1.179 8.332 1.00 0.58 H new ATOM 0 HB2 ALA A 130 -2.280 2.868 8.318 1.00 0.58 H new ATOM 0 HB3 ALA A 130 -2.694 2.081 9.859 1.00 0.58 H new ATOM 1862 N LYS A 131 -5.618 0.545 8.568 1.00 0.43 N ATOM 1863 CA LYS A 131 -6.465 -0.514 9.091 1.00 0.44 C ATOM 1864 C LYS A 131 -5.768 -1.859 8.926 1.00 0.45 C ATOM 1865 O LYS A 131 -4.920 -2.024 8.044 1.00 0.49 O ATOM 1866 CB LYS A 131 -7.837 -0.533 8.404 1.00 0.49 C ATOM 1867 CG LYS A 131 -7.898 -1.369 7.132 1.00 0.58 C ATOM 1868 CD LYS A 131 -7.536 -0.575 5.893 1.00 0.62 C ATOM 1869 CE LYS A 131 -8.512 0.567 5.678 1.00 0.89 C ATOM 1870 NZ LYS A 131 -8.460 1.107 4.294 1.00 1.43 N ATOM 0 H LYS A 131 -5.268 0.380 7.624 1.00 0.43 H new ATOM 0 HA LYS A 131 -6.634 -0.322 10.150 1.00 0.44 H new ATOM 0 HB2 LYS A 131 -8.576 -0.913 9.109 1.00 0.49 H new ATOM 0 HB3 LYS A 131 -8.123 0.491 8.164 1.00 0.49 H new ATOM 0 HG2 LYS A 131 -7.220 -2.217 7.226 1.00 0.58 H new ATOM 0 HG3 LYS A 131 -8.903 -1.776 7.017 1.00 0.58 H new ATOM 0 HD2 LYS A 131 -6.525 -0.181 5.991 1.00 0.62 H new ATOM 0 HD3 LYS A 131 -7.539 -1.231 5.022 1.00 0.62 H new ATOM 0 HE2 LYS A 131 -9.523 0.222 5.892 1.00 0.89 H new ATOM 0 HE3 LYS A 131 -8.292 1.367 6.385 1.00 0.89 H new ATOM 0 HZ1 LYS A 131 -9.404 1.446 4.018 1.00 1.43 H new ATOM 0 HZ2 LYS A 131 -7.784 1.896 4.254 1.00 1.43 H new ATOM 0 HZ3 LYS A 131 -8.156 0.358 3.640 1.00 1.43 H new ATOM 1884 N SER A 132 -6.121 -2.812 9.773 1.00 0.49 N ATOM 1885 CA SER A 132 -5.460 -4.106 9.775 1.00 0.59 C ATOM 1886 C SER A 132 -6.131 -5.078 8.812 1.00 0.68 C ATOM 1887 O SER A 132 -5.536 -6.077 8.414 1.00 0.97 O ATOM 1888 CB SER A 132 -5.452 -4.679 11.194 1.00 0.69 C ATOM 1889 OG SER A 132 -6.760 -4.717 11.740 1.00 1.43 O ATOM 0 H SER A 132 -6.861 -2.714 10.468 1.00 0.49 H new ATOM 0 HA SER A 132 -4.434 -3.966 9.436 1.00 0.59 H new ATOM 0 HB2 SER A 132 -5.032 -5.685 11.180 1.00 0.69 H new ATOM 0 HB3 SER A 132 -4.807 -4.073 11.830 1.00 0.69 H new ATOM 0 HG SER A 132 -6.726 -5.089 12.646 1.00 1.43 H new ATOM 1895 N THR A 133 -7.368 -4.780 8.435 1.00 0.72 N ATOM 1896 CA THR A 133 -8.115 -5.644 7.535 1.00 0.93 C ATOM 1897 C THR A 133 -9.062 -4.856 6.648 1.00 0.69 C ATOM 1898 O THR A 133 -9.680 -3.887 7.087 1.00 1.11 O ATOM 1899 CB THR A 133 -8.939 -6.685 8.308 1.00 1.84 C ATOM 1900 OG1 THR A 133 -9.375 -6.135 9.563 1.00 2.38 O ATOM 1901 CG2 THR A 133 -8.147 -7.961 8.549 1.00 2.26 C ATOM 0 H THR A 133 -7.873 -3.948 8.739 1.00 0.72 H new ATOM 0 HA THR A 133 -7.371 -6.145 6.916 1.00 0.93 H new ATOM 0 HB THR A 133 -9.807 -6.940 7.700 1.00 1.84 H new ATOM 0 HG1 THR A 133 -9.901 -6.804 10.048 1.00 2.38 H new ATOM 0 HG21 THR A 133 -8.763 -8.673 9.098 1.00 2.26 H new ATOM 0 HG22 THR A 133 -7.856 -8.395 7.592 1.00 2.26 H new ATOM 0 HG23 THR A 133 -7.254 -7.731 9.129 1.00 2.26 H new ATOM 1909 N ALA A 134 -9.177 -5.287 5.402 1.00 0.82 N ATOM 1910 CA ALA A 134 -10.122 -4.702 4.474 1.00 1.50 C ATOM 1911 C ALA A 134 -11.073 -5.779 3.974 1.00 1.30 C ATOM 1912 O ALA A 134 -10.641 -6.876 3.623 1.00 1.86 O ATOM 1913 CB ALA A 134 -9.396 -4.037 3.315 1.00 2.33 C ATOM 0 H ALA A 134 -8.621 -6.047 5.011 1.00 0.82 H new ATOM 0 HA ALA A 134 -10.698 -3.932 4.987 1.00 1.50 H new ATOM 0 HB1 ALA A 134 -10.125 -3.604 2.630 1.00 2.33 H new ATOM 0 HB2 ALA A 134 -8.745 -3.251 3.697 1.00 2.33 H new ATOM 0 HB3 ALA A 134 -8.797 -4.779 2.787 1.00 2.33 H new ATOM 1919 N ILE A 135 -12.361 -5.474 4.004 1.00 0.99 N ATOM 1920 CA ILE A 135 -13.396 -6.394 3.531 1.00 0.96 C ATOM 1921 C ILE A 135 -14.777 -5.755 3.723 1.00 1.21 C ATOM 1922 O ILE A 135 -15.818 -6.381 3.503 1.00 2.09 O ATOM 1923 CB ILE A 135 -13.326 -7.743 4.303 1.00 1.26 C ATOM 1924 CG1 ILE A 135 -14.097 -8.841 3.564 1.00 1.57 C ATOM 1925 CG2 ILE A 135 -13.846 -7.586 5.725 1.00 1.67 C ATOM 1926 CD1 ILE A 135 -13.464 -9.231 2.247 1.00 1.72 C ATOM 0 H ILE A 135 -12.722 -4.587 4.354 1.00 0.99 H new ATOM 0 HA ILE A 135 -13.230 -6.594 2.472 1.00 0.96 H new ATOM 0 HB ILE A 135 -12.279 -8.041 4.355 1.00 1.26 H new ATOM 0 HG12 ILE A 135 -14.163 -9.722 4.203 1.00 1.57 H new ATOM 0 HG13 ILE A 135 -15.117 -8.501 3.383 1.00 1.57 H new ATOM 0 HG21 ILE A 135 -13.786 -8.544 6.242 1.00 1.67 H new ATOM 0 HG22 ILE A 135 -13.242 -6.849 6.254 1.00 1.67 H new ATOM 0 HG23 ILE A 135 -14.883 -7.253 5.698 1.00 1.67 H new ATOM 0 HD11 ILE A 135 -14.059 -10.013 1.775 1.00 1.72 H new ATOM 0 HD12 ILE A 135 -13.422 -8.361 1.592 1.00 1.72 H new ATOM 0 HD13 ILE A 135 -12.454 -9.601 2.424 1.00 1.72 H new ATOM 1938 N THR A 136 -14.771 -4.482 4.089 1.00 1.18 N ATOM 1939 CA THR A 136 -15.975 -3.804 4.542 1.00 1.62 C ATOM 1940 C THR A 136 -16.386 -2.683 3.584 1.00 1.09 C ATOM 1941 O THR A 136 -15.562 -1.858 3.190 1.00 1.00 O ATOM 1942 CB THR A 136 -15.751 -3.220 5.955 1.00 2.43 C ATOM 1943 OG1 THR A 136 -15.324 -4.257 6.850 1.00 3.11 O ATOM 1944 CG2 THR A 136 -17.016 -2.574 6.500 1.00 3.17 C ATOM 0 H THR A 136 -13.938 -3.894 4.081 1.00 1.18 H new ATOM 0 HA THR A 136 -16.779 -4.539 4.568 1.00 1.62 H new ATOM 0 HB THR A 136 -14.981 -2.453 5.878 1.00 2.43 H new ATOM 0 HG1 THR A 136 -15.182 -3.880 7.743 1.00 3.11 H new ATOM 0 HG21 THR A 136 -16.821 -2.174 7.495 1.00 3.17 H new ATOM 0 HG22 THR A 136 -17.325 -1.765 5.838 1.00 3.17 H new ATOM 0 HG23 THR A 136 -17.809 -3.319 6.558 1.00 3.17 H new ATOM 1952 N PRO A 137 -17.668 -2.652 3.183 1.00 1.02 N ATOM 1953 CA PRO A 137 -18.221 -1.569 2.357 1.00 1.06 C ATOM 1954 C PRO A 137 -18.099 -0.202 3.036 1.00 0.97 C ATOM 1955 O PRO A 137 -17.749 0.786 2.393 1.00 1.12 O ATOM 1956 CB PRO A 137 -19.695 -1.953 2.189 1.00 1.46 C ATOM 1957 CG PRO A 137 -19.742 -3.419 2.447 1.00 1.55 C ATOM 1958 CD PRO A 137 -18.672 -3.691 3.466 1.00 1.31 C ATOM 0 HA PRO A 137 -17.687 -1.469 1.412 1.00 1.06 H new ATOM 0 HB2 PRO A 137 -20.327 -1.408 2.890 1.00 1.46 H new ATOM 0 HB3 PRO A 137 -20.053 -1.717 1.187 1.00 1.46 H new ATOM 0 HG2 PRO A 137 -20.722 -3.719 2.819 1.00 1.55 H new ATOM 0 HG3 PRO A 137 -19.562 -3.983 1.532 1.00 1.55 H new ATOM 0 HD2 PRO A 137 -19.056 -3.614 4.483 1.00 1.31 H new ATOM 0 HD3 PRO A 137 -18.257 -4.693 3.357 1.00 1.31 H new ATOM 1966 N ALA A 138 -18.384 -0.149 4.339 1.00 1.04 N ATOM 1967 CA ALA A 138 -18.250 1.091 5.107 1.00 1.16 C ATOM 1968 C ALA A 138 -16.800 1.559 5.130 1.00 0.92 C ATOM 1969 O ALA A 138 -16.521 2.758 5.167 1.00 0.97 O ATOM 1970 CB ALA A 138 -18.761 0.900 6.527 1.00 1.54 C ATOM 0 H ALA A 138 -18.708 -0.948 4.883 1.00 1.04 H new ATOM 0 HA ALA A 138 -18.853 1.856 4.619 1.00 1.16 H new ATOM 0 HB1 ALA A 138 -18.653 1.832 7.081 1.00 1.54 H new ATOM 0 HB2 ALA A 138 -19.812 0.614 6.500 1.00 1.54 H new ATOM 0 HB3 ALA A 138 -18.184 0.117 7.019 1.00 1.54 H new ATOM 1976 N GLU A 139 -15.880 0.600 5.102 1.00 0.82 N ATOM 1977 CA GLU A 139 -14.454 0.893 5.031 1.00 0.81 C ATOM 1978 C GLU A 139 -14.164 1.700 3.765 1.00 0.71 C ATOM 1979 O GLU A 139 -13.442 2.698 3.795 1.00 0.80 O ATOM 1980 CB GLU A 139 -13.663 -0.421 5.041 1.00 0.97 C ATOM 1981 CG GLU A 139 -12.154 -0.259 4.983 1.00 1.27 C ATOM 1982 CD GLU A 139 -11.615 0.568 6.127 1.00 1.55 C ATOM 1983 OE1 GLU A 139 -11.283 -0.016 7.172 1.00 2.13 O ATOM 1984 OE2 GLU A 139 -11.487 1.800 5.966 1.00 1.90 O ATOM 0 H GLU A 139 -16.100 -0.396 5.128 1.00 0.82 H new ATOM 0 HA GLU A 139 -14.149 1.485 5.894 1.00 0.81 H new ATOM 0 HB2 GLU A 139 -13.920 -0.976 5.943 1.00 0.97 H new ATOM 0 HB3 GLU A 139 -13.982 -1.027 4.193 1.00 0.97 H new ATOM 0 HG2 GLU A 139 -11.686 -1.243 4.998 1.00 1.27 H new ATOM 0 HG3 GLU A 139 -11.879 0.210 4.039 1.00 1.27 H new ATOM 1991 N ALA A 140 -14.768 1.275 2.660 1.00 0.71 N ATOM 1992 CA ALA A 140 -14.663 2.005 1.405 1.00 0.90 C ATOM 1993 C ALA A 140 -15.338 3.361 1.525 1.00 0.85 C ATOM 1994 O ALA A 140 -14.769 4.383 1.153 1.00 1.08 O ATOM 1995 CB ALA A 140 -15.293 1.214 0.269 1.00 1.09 C ATOM 0 H ALA A 140 -15.335 0.429 2.610 1.00 0.71 H new ATOM 0 HA ALA A 140 -13.606 2.152 1.184 1.00 0.90 H new ATOM 0 HB1 ALA A 140 -15.204 1.777 -0.660 1.00 1.09 H new ATOM 0 HB2 ALA A 140 -14.781 0.258 0.164 1.00 1.09 H new ATOM 0 HB3 ALA A 140 -16.346 1.039 0.488 1.00 1.09 H new ATOM 2001 N ALA A 141 -16.543 3.360 2.078 1.00 0.71 N ATOM 2002 CA ALA A 141 -17.345 4.571 2.206 1.00 0.82 C ATOM 2003 C ALA A 141 -16.628 5.657 3.007 1.00 0.79 C ATOM 2004 O ALA A 141 -16.933 6.840 2.862 1.00 0.92 O ATOM 2005 CB ALA A 141 -18.685 4.248 2.846 1.00 0.95 C ATOM 0 H ALA A 141 -16.992 2.523 2.450 1.00 0.71 H new ATOM 0 HA ALA A 141 -17.506 4.961 1.201 1.00 0.82 H new ATOM 0 HB1 ALA A 141 -19.275 5.160 2.936 1.00 0.95 H new ATOM 0 HB2 ALA A 141 -19.221 3.530 2.226 1.00 0.95 H new ATOM 0 HB3 ALA A 141 -18.522 3.822 3.836 1.00 0.95 H new ATOM 2011 N THR A 142 -15.682 5.260 3.852 1.00 0.72 N ATOM 2012 CA THR A 142 -14.965 6.214 4.679 1.00 0.83 C ATOM 2013 C THR A 142 -13.813 6.870 3.912 1.00 0.97 C ATOM 2014 O THR A 142 -13.683 8.093 3.905 1.00 1.17 O ATOM 2015 CB THR A 142 -14.420 5.537 5.954 1.00 0.84 C ATOM 2016 OG1 THR A 142 -15.469 4.800 6.599 1.00 0.81 O ATOM 2017 CG2 THR A 142 -13.860 6.566 6.925 1.00 1.00 C ATOM 0 H THR A 142 -15.398 4.289 3.979 1.00 0.72 H new ATOM 0 HA THR A 142 -15.676 6.990 4.963 1.00 0.83 H new ATOM 0 HB THR A 142 -13.616 4.862 5.661 1.00 0.84 H new ATOM 0 HG1 THR A 142 -15.717 4.031 6.045 1.00 0.81 H new ATOM 0 HG21 THR A 142 -13.483 6.060 7.814 1.00 1.00 H new ATOM 0 HG22 THR A 142 -13.047 7.113 6.447 1.00 1.00 H new ATOM 0 HG23 THR A 142 -14.648 7.263 7.211 1.00 1.00 H new ATOM 2025 N ALA A 143 -13.001 6.061 3.241 1.00 0.97 N ATOM 2026 CA ALA A 143 -11.780 6.564 2.614 1.00 1.19 C ATOM 2027 C ALA A 143 -11.974 6.912 1.141 1.00 1.05 C ATOM 2028 O ALA A 143 -11.161 7.629 0.558 1.00 1.28 O ATOM 2029 CB ALA A 143 -10.662 5.549 2.763 1.00 1.42 C ATOM 0 H ALA A 143 -13.162 5.062 3.116 1.00 0.97 H new ATOM 0 HA ALA A 143 -11.515 7.487 3.129 1.00 1.19 H new ATOM 0 HB1 ALA A 143 -9.757 5.933 2.293 1.00 1.42 H new ATOM 0 HB2 ALA A 143 -10.473 5.369 3.821 1.00 1.42 H new ATOM 0 HB3 ALA A 143 -10.952 4.615 2.282 1.00 1.42 H new ATOM 2035 N CYS A 144 -13.043 6.413 0.542 1.00 0.87 N ATOM 2036 CA CYS A 144 -13.278 6.621 -0.883 1.00 0.96 C ATOM 2037 C CYS A 144 -14.075 7.897 -1.122 1.00 0.91 C ATOM 2038 O CYS A 144 -14.484 8.186 -2.247 1.00 1.26 O ATOM 2039 CB CYS A 144 -14.021 5.427 -1.479 1.00 1.28 C ATOM 2040 SG CYS A 144 -13.398 4.901 -3.105 1.00 1.45 S ATOM 0 H CYS A 144 -13.760 5.863 1.015 1.00 0.87 H new ATOM 0 HA CYS A 144 -12.309 6.720 -1.373 1.00 0.96 H new ATOM 0 HB2 CYS A 144 -13.953 4.588 -0.787 1.00 1.28 H new ATOM 0 HB3 CYS A 144 -15.077 5.679 -1.571 1.00 1.28 H new ATOM 2045 N LYS A 145 -14.302 8.654 -0.059 1.00 1.09 N ATOM 2046 CA LYS A 145 -15.002 9.921 -0.161 1.00 1.29 C ATOM 2047 C LYS A 145 -14.224 11.015 0.548 1.00 1.29 C ATOM 2048 O LYS A 145 -13.449 10.736 1.463 1.00 2.01 O ATOM 2049 CB LYS A 145 -16.412 9.827 0.423 1.00 1.65 C ATOM 2050 CG LYS A 145 -17.356 8.939 -0.374 1.00 2.35 C ATOM 2051 CD LYS A 145 -18.806 9.249 -0.045 1.00 3.18 C ATOM 2052 CE LYS A 145 -19.149 10.684 -0.409 1.00 4.04 C ATOM 2053 NZ LYS A 145 -20.501 11.079 0.059 1.00 4.87 N ATOM 0 H LYS A 145 -14.009 8.409 0.887 1.00 1.09 H new ATOM 0 HA LYS A 145 -15.086 10.167 -1.219 1.00 1.29 H new ATOM 0 HB2 LYS A 145 -16.347 9.447 1.443 1.00 1.65 H new ATOM 0 HB3 LYS A 145 -16.837 10.829 0.483 1.00 1.65 H new ATOM 0 HG2 LYS A 145 -17.183 9.084 -1.440 1.00 2.35 H new ATOM 0 HG3 LYS A 145 -17.146 7.892 -0.156 1.00 2.35 H new ATOM 0 HD2 LYS A 145 -19.460 8.566 -0.587 1.00 3.18 H new ATOM 0 HD3 LYS A 145 -18.985 9.086 1.018 1.00 3.18 H new ATOM 0 HE2 LYS A 145 -18.407 11.354 0.026 1.00 4.04 H new ATOM 0 HE3 LYS A 145 -19.092 10.805 -1.491 1.00 4.04 H new ATOM 0 HZ1 LYS A 145 -20.688 12.065 -0.213 1.00 4.87 H new ATOM 0 HZ2 LYS A 145 -21.214 10.459 -0.376 1.00 4.87 H new ATOM 0 HZ3 LYS A 145 -20.550 10.990 1.094 1.00 4.87 H new ATOM 2067 N ASN A 146 -14.445 12.256 0.113 1.00 1.10 N ATOM 2068 CA ASN A 146 -13.757 13.432 0.655 1.00 1.21 C ATOM 2069 C ASN A 146 -12.266 13.372 0.341 1.00 1.25 C ATOM 2070 O ASN A 146 -11.472 14.144 0.879 1.00 1.88 O ATOM 2071 CB ASN A 146 -13.959 13.561 2.173 1.00 1.56 C ATOM 2072 CG ASN A 146 -15.417 13.510 2.596 1.00 2.22 C ATOM 2073 OD1 ASN A 146 -16.125 14.520 2.574 1.00 2.76 O ATOM 2074 ND2 ASN A 146 -15.865 12.335 3.013 1.00 2.97 N ATOM 0 H ASN A 146 -15.109 12.476 -0.629 1.00 1.10 H new ATOM 0 HA ASN A 146 -14.194 14.309 0.178 1.00 1.21 H new ATOM 0 HB2 ASN A 146 -13.415 12.760 2.673 1.00 1.56 H new ATOM 0 HB3 ASN A 146 -13.523 14.501 2.511 1.00 1.56 H new ATOM 0 HD21 ASN A 146 -16.829 12.241 3.332 1.00 2.97 H new ATOM 0 HD22 ASN A 146 -15.246 11.525 3.015 1.00 2.97 H new ATOM 2081 N THR A 147 -11.894 12.465 -0.548 1.00 1.03 N ATOM 2082 CA THR A 147 -10.503 12.252 -0.881 1.00 1.07 C ATOM 2083 C THR A 147 -10.234 12.534 -2.355 1.00 1.14 C ATOM 2084 O THR A 147 -10.220 11.628 -3.188 1.00 2.01 O ATOM 2085 CB THR A 147 -10.069 10.816 -0.537 1.00 1.20 C ATOM 2086 OG1 THR A 147 -11.087 9.894 -0.942 1.00 1.79 O ATOM 2087 CG2 THR A 147 -9.805 10.668 0.955 1.00 1.52 C ATOM 0 H THR A 147 -12.544 11.863 -1.053 1.00 1.03 H new ATOM 0 HA THR A 147 -9.917 12.951 -0.284 1.00 1.07 H new ATOM 0 HB THR A 147 -9.144 10.599 -1.072 1.00 1.20 H new ATOM 0 HG1 THR A 147 -11.167 9.181 -0.275 1.00 1.79 H new ATOM 0 HG21 THR A 147 -9.500 9.644 1.171 1.00 1.52 H new ATOM 0 HG22 THR A 147 -9.012 11.353 1.254 1.00 1.52 H new ATOM 0 HG23 THR A 147 -10.714 10.900 1.510 1.00 1.52 H new ATOM 2095 N ASP A 148 -10.055 13.803 -2.679 1.00 0.94 N ATOM 2096 CA ASP A 148 -9.666 14.194 -4.026 1.00 1.01 C ATOM 2097 C ASP A 148 -8.159 14.336 -4.078 1.00 0.89 C ATOM 2098 O ASP A 148 -7.454 13.428 -4.507 1.00 0.88 O ATOM 2099 CB ASP A 148 -10.338 15.506 -4.440 1.00 1.33 C ATOM 2100 CG ASP A 148 -11.823 15.351 -4.684 1.00 1.89 C ATOM 2101 OD1 ASP A 148 -12.598 15.377 -3.703 1.00 2.54 O ATOM 2102 OD2 ASP A 148 -12.227 15.190 -5.853 1.00 2.20 O ATOM 0 H ASP A 148 -10.172 14.581 -2.030 1.00 0.94 H new ATOM 0 HA ASP A 148 -9.992 13.425 -4.726 1.00 1.01 H new ATOM 0 HB2 ASP A 148 -10.178 16.252 -3.662 1.00 1.33 H new ATOM 0 HB3 ASP A 148 -9.863 15.883 -5.346 1.00 1.33 H new ATOM 2107 N SER A 149 -7.667 15.457 -3.581 1.00 0.95 N ATOM 2108 CA SER A 149 -6.238 15.663 -3.442 1.00 1.01 C ATOM 2109 C SER A 149 -5.718 14.858 -2.255 1.00 0.85 C ATOM 2110 O SER A 149 -4.516 14.643 -2.101 1.00 1.07 O ATOM 2111 CB SER A 149 -5.958 17.155 -3.258 1.00 1.27 C ATOM 2112 OG SER A 149 -6.948 17.751 -2.433 1.00 1.53 O ATOM 0 H SER A 149 -8.239 16.241 -3.266 1.00 0.95 H new ATOM 0 HA SER A 149 -5.722 15.321 -4.339 1.00 1.01 H new ATOM 0 HB2 SER A 149 -4.973 17.293 -2.812 1.00 1.27 H new ATOM 0 HB3 SER A 149 -5.940 17.650 -4.229 1.00 1.27 H new ATOM 0 HG SER A 149 -6.752 18.705 -2.324 1.00 1.53 H new ATOM 2118 N THR A 150 -6.647 14.398 -1.428 1.00 0.63 N ATOM 2119 CA THR A 150 -6.324 13.627 -0.242 1.00 0.67 C ATOM 2120 C THR A 150 -6.301 12.125 -0.549 1.00 0.56 C ATOM 2121 O THR A 150 -6.193 11.296 0.355 1.00 0.64 O ATOM 2122 CB THR A 150 -7.353 13.915 0.872 1.00 0.92 C ATOM 2123 OG1 THR A 150 -7.732 15.297 0.826 1.00 1.15 O ATOM 2124 CG2 THR A 150 -6.782 13.601 2.247 1.00 1.26 C ATOM 0 H THR A 150 -7.646 14.551 -1.563 1.00 0.63 H new ATOM 0 HA THR A 150 -5.331 13.924 0.094 1.00 0.67 H new ATOM 0 HB THR A 150 -8.221 13.278 0.705 1.00 0.92 H new ATOM 0 HG1 THR A 150 -8.387 15.480 1.532 1.00 1.15 H new ATOM 0 HG21 THR A 150 -7.531 13.814 3.009 1.00 1.26 H new ATOM 0 HG22 THR A 150 -6.506 12.548 2.294 1.00 1.26 H new ATOM 0 HG23 THR A 150 -5.899 14.216 2.423 1.00 1.26 H new ATOM 2132 N ASN A 151 -6.395 11.765 -1.826 1.00 0.49 N ATOM 2133 CA ASN A 151 -6.402 10.356 -2.198 1.00 0.47 C ATOM 2134 C ASN A 151 -4.989 9.861 -2.480 1.00 0.44 C ATOM 2135 O ASN A 151 -4.435 10.080 -3.559 1.00 0.59 O ATOM 2136 CB ASN A 151 -7.291 10.086 -3.414 1.00 0.57 C ATOM 2137 CG ASN A 151 -7.614 8.605 -3.558 1.00 0.69 C ATOM 2138 OD1 ASN A 151 -6.878 7.744 -3.077 1.00 1.21 O ATOM 2139 ND2 ASN A 151 -8.700 8.289 -4.245 1.00 0.79 N ATOM 0 H ASN A 151 -6.466 12.417 -2.607 1.00 0.49 H new ATOM 0 HA ASN A 151 -6.814 9.810 -1.349 1.00 0.47 H new ATOM 0 HB2 ASN A 151 -8.217 10.653 -3.321 1.00 0.57 H new ATOM 0 HB3 ASN A 151 -6.791 10.439 -4.316 1.00 0.57 H new ATOM 0 HD21 ASN A 151 -8.946 7.309 -4.388 1.00 0.79 H new ATOM 0 HD22 ASN A 151 -9.291 9.025 -4.632 1.00 0.79 H new ATOM 2146 N LYS A 152 -4.404 9.223 -1.482 1.00 0.41 N ATOM 2147 CA LYS A 152 -3.136 8.532 -1.633 1.00 0.41 C ATOM 2148 C LYS A 152 -3.037 7.440 -0.579 1.00 0.39 C ATOM 2149 O LYS A 152 -2.974 7.722 0.621 1.00 0.48 O ATOM 2150 CB LYS A 152 -1.935 9.489 -1.536 1.00 0.48 C ATOM 2151 CG LYS A 152 -1.964 10.442 -0.350 1.00 0.67 C ATOM 2152 CD LYS A 152 -2.593 11.770 -0.726 1.00 0.85 C ATOM 2153 CE LYS A 152 -2.463 12.791 0.389 1.00 0.82 C ATOM 2154 NZ LYS A 152 -2.777 14.164 -0.082 1.00 1.35 N ATOM 0 H LYS A 152 -4.796 9.169 -0.542 1.00 0.41 H new ATOM 0 HA LYS A 152 -3.104 8.092 -2.630 1.00 0.41 H new ATOM 0 HB2 LYS A 152 -1.021 8.897 -1.484 1.00 0.48 H new ATOM 0 HB3 LYS A 152 -1.883 10.076 -2.453 1.00 0.48 H new ATOM 0 HG2 LYS A 152 -2.524 9.990 0.469 1.00 0.67 H new ATOM 0 HG3 LYS A 152 -0.949 10.607 0.012 1.00 0.67 H new ATOM 0 HD2 LYS A 152 -2.118 12.155 -1.628 1.00 0.85 H new ATOM 0 HD3 LYS A 152 -3.647 11.620 -0.960 1.00 0.85 H new ATOM 0 HE2 LYS A 152 -3.134 12.525 1.206 1.00 0.82 H new ATOM 0 HE3 LYS A 152 -1.449 12.766 0.788 1.00 0.82 H new ATOM 0 HZ1 LYS A 152 -3.218 14.703 0.690 1.00 1.35 H new ATOM 0 HZ2 LYS A 152 -1.900 14.638 -0.379 1.00 1.35 H new ATOM 0 HZ3 LYS A 152 -3.433 14.113 -0.888 1.00 1.35 H new ATOM 2168 N VAL A 153 -3.055 6.195 -1.021 1.00 0.36 N ATOM 2169 CA VAL A 153 -3.062 5.086 -0.106 1.00 0.37 C ATOM 2170 C VAL A 153 -1.827 4.197 -0.278 1.00 0.35 C ATOM 2171 O VAL A 153 -1.740 3.370 -1.187 1.00 0.43 O ATOM 2172 CB VAL A 153 -4.358 4.259 -0.269 1.00 0.43 C ATOM 2173 CG1 VAL A 153 -5.563 5.091 0.126 1.00 1.18 C ATOM 2174 CG2 VAL A 153 -4.538 3.751 -1.691 1.00 1.32 C ATOM 0 H VAL A 153 -3.065 5.935 -2.007 1.00 0.36 H new ATOM 0 HA VAL A 153 -3.030 5.493 0.905 1.00 0.37 H new ATOM 0 HB VAL A 153 -4.272 3.394 0.388 1.00 0.43 H new ATOM 0 HG11 VAL A 153 -6.470 4.498 0.007 1.00 1.18 H new ATOM 0 HG12 VAL A 153 -5.466 5.401 1.167 1.00 1.18 H new ATOM 0 HG13 VAL A 153 -5.621 5.973 -0.511 1.00 1.18 H new ATOM 0 HG21 VAL A 153 -5.461 3.176 -1.758 1.00 1.32 H new ATOM 0 HG22 VAL A 153 -4.587 4.597 -2.376 1.00 1.32 H new ATOM 0 HG23 VAL A 153 -3.694 3.115 -1.960 1.00 1.32 H new ATOM 2184 N THR A 154 -0.852 4.401 0.585 1.00 0.35 N ATOM 2185 CA THR A 154 0.276 3.497 0.684 1.00 0.38 C ATOM 2186 C THR A 154 -0.078 2.285 1.558 1.00 0.37 C ATOM 2187 O THR A 154 -0.462 2.446 2.722 1.00 0.47 O ATOM 2188 CB THR A 154 1.486 4.245 1.268 1.00 0.52 C ATOM 2189 OG1 THR A 154 1.087 5.000 2.423 1.00 0.94 O ATOM 2190 CG2 THR A 154 2.078 5.188 0.232 1.00 0.96 C ATOM 0 H THR A 154 -0.819 5.190 1.231 1.00 0.35 H new ATOM 0 HA THR A 154 0.527 3.134 -0.312 1.00 0.38 H new ATOM 0 HB THR A 154 2.239 3.510 1.554 1.00 0.52 H new ATOM 0 HG1 THR A 154 0.388 4.512 2.907 1.00 0.94 H new ATOM 0 HG21 THR A 154 2.933 5.710 0.661 1.00 0.96 H new ATOM 0 HG22 THR A 154 2.401 4.616 -0.638 1.00 0.96 H new ATOM 0 HG23 THR A 154 1.324 5.915 -0.071 1.00 0.96 H new ATOM 2198 N TYR A 155 0.011 1.069 1.010 1.00 0.35 N ATOM 2199 CA TYR A 155 -0.295 -0.110 1.812 1.00 0.38 C ATOM 2200 C TYR A 155 0.761 -1.201 1.686 1.00 0.38 C ATOM 2201 O TYR A 155 1.285 -1.466 0.606 1.00 0.61 O ATOM 2202 CB TYR A 155 -1.678 -0.671 1.475 1.00 0.41 C ATOM 2203 CG TYR A 155 -1.844 -1.241 0.080 1.00 0.43 C ATOM 2204 CD1 TYR A 155 -2.083 -0.405 -1.005 1.00 0.50 C ATOM 2205 CD2 TYR A 155 -1.718 -2.605 -0.158 1.00 0.53 C ATOM 2206 CE1 TYR A 155 -2.203 -0.911 -2.285 1.00 0.61 C ATOM 2207 CE2 TYR A 155 -1.828 -3.119 -1.435 1.00 0.63 C ATOM 2208 CZ TYR A 155 -2.226 -2.303 -2.462 1.00 0.65 C ATOM 2209 OH TYR A 155 -2.175 -2.786 -3.768 1.00 0.79 O ATOM 0 H TYR A 155 0.284 0.882 0.045 1.00 0.35 H new ATOM 0 HA TYR A 155 -0.294 0.224 2.850 1.00 0.38 H new ATOM 0 HB2 TYR A 155 -1.916 -1.453 2.196 1.00 0.41 H new ATOM 0 HB3 TYR A 155 -2.413 0.122 1.611 1.00 0.41 H new ATOM 0 HD1 TYR A 155 -2.177 0.659 -0.844 1.00 0.50 H new ATOM 0 HD2 TYR A 155 -1.531 -3.274 0.669 1.00 0.53 H new ATOM 0 HE1 TYR A 155 -2.278 -0.247 -3.134 1.00 0.61 H new ATOM 0 HE2 TYR A 155 -1.602 -4.158 -1.623 1.00 0.63 H new ATOM 0 HH TYR A 155 -2.196 -3.766 -3.756 1.00 0.79 H new ATOM 2219 N PHE A 156 1.052 -1.835 2.809 1.00 0.41 N ATOM 2220 CA PHE A 156 2.001 -2.933 2.858 1.00 0.44 C ATOM 2221 C PHE A 156 1.272 -4.266 2.808 1.00 0.46 C ATOM 2222 O PHE A 156 0.172 -4.408 3.342 1.00 0.46 O ATOM 2223 CB PHE A 156 2.844 -2.856 4.131 1.00 0.44 C ATOM 2224 CG PHE A 156 3.973 -1.874 4.068 1.00 0.45 C ATOM 2225 CD1 PHE A 156 3.751 -0.518 4.243 1.00 0.53 C ATOM 2226 CD2 PHE A 156 5.264 -2.315 3.837 1.00 0.55 C ATOM 2227 CE1 PHE A 156 4.800 0.379 4.187 1.00 0.61 C ATOM 2228 CE2 PHE A 156 6.315 -1.424 3.781 1.00 0.62 C ATOM 2229 CZ PHE A 156 6.085 -0.078 3.956 1.00 0.62 C ATOM 0 H PHE A 156 0.637 -1.603 3.712 1.00 0.41 H new ATOM 0 HA PHE A 156 2.658 -2.853 1.992 1.00 0.44 H new ATOM 0 HB2 PHE A 156 2.195 -2.592 4.966 1.00 0.44 H new ATOM 0 HB3 PHE A 156 3.250 -3.845 4.343 1.00 0.44 H new ATOM 0 HD1 PHE A 156 2.749 -0.159 4.425 1.00 0.53 H new ATOM 0 HD2 PHE A 156 5.451 -3.370 3.699 1.00 0.55 H new ATOM 0 HE1 PHE A 156 4.617 1.435 4.323 1.00 0.61 H new ATOM 0 HE2 PHE A 156 7.318 -1.782 3.600 1.00 0.62 H new ATOM 0 HZ PHE A 156 6.907 0.621 3.913 1.00 0.62 H new ATOM 2239 N MET A 157 1.890 -5.244 2.179 1.00 0.59 N ATOM 2240 CA MET A 157 1.303 -6.560 2.050 1.00 0.68 C ATOM 2241 C MET A 157 2.327 -7.633 2.411 1.00 0.82 C ATOM 2242 O MET A 157 3.529 -7.370 2.385 1.00 1.12 O ATOM 2243 CB MET A 157 0.739 -6.764 0.636 1.00 0.83 C ATOM 2244 CG MET A 157 1.756 -6.641 -0.496 1.00 1.47 C ATOM 2245 SD MET A 157 2.529 -5.009 -0.610 1.00 2.50 S ATOM 2246 CE MET A 157 3.761 -5.295 -1.879 1.00 3.27 C ATOM 0 H MET A 157 2.808 -5.149 1.745 1.00 0.59 H new ATOM 0 HA MET A 157 0.471 -6.647 2.748 1.00 0.68 H new ATOM 0 HB2 MET A 157 0.280 -7.751 0.585 1.00 0.83 H new ATOM 0 HB3 MET A 157 -0.054 -6.035 0.470 1.00 0.83 H new ATOM 0 HG2 MET A 157 2.534 -7.392 -0.356 1.00 1.47 H new ATOM 0 HG3 MET A 157 1.262 -6.866 -1.441 1.00 1.47 H new ATOM 0 HE1 MET A 157 4.003 -4.353 -2.371 1.00 3.27 H new ATOM 0 HE2 MET A 157 4.661 -5.709 -1.425 1.00 3.27 H new ATOM 0 HE3 MET A 157 3.369 -5.998 -2.614 1.00 3.27 H new ATOM 2256 N LYS A 158 1.836 -8.812 2.800 1.00 0.75 N ATOM 2257 CA LYS A 158 2.680 -9.917 3.230 1.00 0.96 C ATOM 2258 C LYS A 158 3.726 -10.278 2.179 1.00 1.43 C ATOM 2259 O LYS A 158 3.354 -10.841 1.127 1.00 1.89 O ATOM 2260 CB LYS A 158 1.802 -11.124 3.555 1.00 0.95 C ATOM 2261 CG LYS A 158 2.573 -12.375 3.931 1.00 1.11 C ATOM 2262 CD LYS A 158 1.636 -13.522 4.258 1.00 1.49 C ATOM 2263 CE LYS A 158 1.217 -13.532 5.723 1.00 1.88 C ATOM 2264 NZ LYS A 158 0.530 -12.289 6.156 1.00 2.24 N ATOM 2265 OXT LYS A 158 4.919 -10.015 2.435 1.00 2.11 O ATOM 0 H LYS A 158 0.838 -9.023 2.824 1.00 0.75 H new ATOM 0 HA LYS A 158 3.223 -9.607 4.123 1.00 0.96 H new ATOM 0 HB2 LYS A 158 1.135 -10.862 4.376 1.00 0.95 H new ATOM 0 HB3 LYS A 158 1.174 -11.344 2.692 1.00 0.95 H new ATOM 0 HG2 LYS A 158 3.229 -12.661 3.109 1.00 1.11 H new ATOM 0 HG3 LYS A 158 3.211 -12.167 4.790 1.00 1.11 H new ATOM 0 HD2 LYS A 158 0.748 -13.452 3.630 1.00 1.49 H new ATOM 0 HD3 LYS A 158 2.124 -14.466 4.016 1.00 1.49 H new ATOM 0 HE2 LYS A 158 0.556 -14.381 5.897 1.00 1.88 H new ATOM 0 HE3 LYS A 158 2.100 -13.683 6.343 1.00 1.88 H new ATOM 0 HZ1 LYS A 158 0.054 -12.454 7.066 1.00 2.24 H new ATOM 0 HZ2 LYS A 158 1.228 -11.526 6.264 1.00 2.24 H new ATOM 0 HZ3 LYS A 158 -0.174 -12.015 5.442 1.00 2.24 H new TER 2279 LYS A 158