USER MOD reduce.3.24.130724 H: found=0, std=0, add=1102, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1102 hydrogens (28 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 NoAdj-H: B 312 ALY H2 : B 312 ALY N : B 311 GLY C :(H bumps) USER MOD NoAdj-H: B 315 ALY H2 : B 315 ALY N : B 314 LYS C :(H bumps) USER MOD Set 1.1: A 113 TYR OH : rot 180:sc= 0.139 USER MOD Set 1.2: A 127 GLN : amide:sc= 0.0798 X(o=0.22,f=0.43) USER MOD Set 2.1: A 42 MET CE :methyl -179:sc= -0.724 (180deg=-0.693) USER MOD Set 2.2: A 102 MET CE :methyl -149:sc= -1.19 (180deg=-0.063) USER MOD Set 2.3: A 140 MET CE :methyl -155:sc= -0.0359 (180deg=-0.375) USER MOD Set 3.1: A 95 TYR OH : rot -171:sc= -1.3! USER MOD Set 3.2: A 101 CYS SG : rot 88:sc= -2.07! USER MOD Set 4.1: A 36 THR OG1 : rot -165:sc= 1.38 USER MOD Set 4.2: A 38 GLN : amide:sc= 1.28 K(o=4.6,f=2.3) USER MOD Set 4.3: A 97 SER OG : rot 131:sc= 1.01 USER MOD Set 4.4: A 99 SER OG : rot -84:sc= 0.949 USER MOD Set 5.1: A 79 ASN : amide:sc= 0.0362 X(o=-0.25,f=-0.3) USER MOD Set 5.2: A 111 ASN : amide:sc= -0.29 K(o=-0.25,f=-2.4!) USER MOD Set 6.1: A 61 GLN : amide:sc= 1.03 K(o=2.2,f=-6.4!) USER MOD Set 6.2: A 67 LYS NZ :NH3+ -160:sc= 1.22 (180deg=0) USER MOD Set 7.1: A 49 THR OG1 : rot 106:sc= 1.26 USER MOD Set 7.2: A 136 LYS NZ :NH3+ -160:sc= 0.00205 (180deg=-0.00617) USER MOD Set 8.1: A 40 GLN : amide:sc= -0.0554 X(o=-0.045,f=0) USER MOD Set 8.2: A 43 GLN : amide:sc= 0.0107 X(o=-0.045,f=0) USER MOD Set 9.1: A 31 LYS NZ :NH3+ -141:sc= 1.94 (180deg=-0.207) USER MOD Set 9.2: A 94 TYR OH : rot 24:sc= 1.82 USER MOD Set10.1: A 27 SER OG : rot 34:sc= 0.98 USER MOD Set10.2: A 92 ASN : amide:sc= 0.104 K(o=1.1,f=0.42) USER MOD Single : A 24 SER OG : rot 43:sc= 0.0128 USER MOD Single : A 28 ASN : amide:sc= 0.154! C(o=0.15!,f=-5.5!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.532 K(o=-0.53,f=-4!) USER MOD Single : A 41 TYR OH : rot -90:sc= 0.87 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -4.87! C(o=-4.9!,f=-6.7!) USER MOD Single : A 54 GLN : amide:sc= -0.204 X(o=-0.2,f=-0.52) USER MOD Single : A 60 TYR OH : rot 5:sc= 1.24 USER MOD Single : A 69 ASN : amide:sc= -0.0518 X(o=-0.052,f=0) USER MOD Single : A 73 TYR OH : rot 15:sc= 0.954 USER MOD Single : A 74 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-3.1!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 166:sc= -0.592 (180deg=-1.09) USER MOD Single : A 83 MET CE :methyl -135:sc= -0.137 (180deg=-3.62!) USER MOD Single : A 85 THR OG1 : rot 127:sc= -0.718! USER MOD Single : A 87 LYS NZ :NH3+ -164:sc= 1.31 (180deg=1.18) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 1.03 K(o=1,f=-0.14) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 108 MET CE :methyl -166:sc= 0 (180deg=-0.0942) USER MOD Single : A 110 THR OG1 : rot -170:sc= -0.838 USER MOD Single : A 112 CYS SG : rot -173:sc= -1.22 USER MOD Single : A 115 TYR OH : rot -1:sc= 1.24 USER MOD Single : A 116 ASN : amide:sc= 0.286 K(o=0.29,f=-1.5) USER MOD Single : A 117 LYS NZ :NH3+ -152:sc= -0.635 (180deg=-1.84!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 125 MET CE :methyl -164:sc= -0.695 (180deg=-2.34!) USER MOD Single : A 131 LYS NZ :NH3+ -177:sc= 2.43 (180deg=2.35) USER MOD Single : A 135 GLN : amide:sc= -0.418 K(o=-0.42,f=-2.7!) USER MOD Single : A 139 GLN : amide:sc= 0.63 K(o=0.63,f=-1.9!) USER MOD Single : A 142 GLN : amide:sc= -0.0209 X(o=-0.021,f=-0.17) USER MOD Single : B 314 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 316 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 21 -4.823 -15.853 -4.089 1.00 5.93 N ATOM 2 CA PRO A 21 -3.568 -15.916 -3.309 1.00 5.16 C ATOM 3 C PRO A 21 -3.746 -16.804 -2.086 1.00 4.32 C ATOM 4 O PRO A 21 -4.778 -16.749 -1.417 1.00 4.31 O ATOM 5 CB PRO A 21 -3.181 -14.511 -2.879 1.00 4.92 C ATOM 6 CG PRO A 21 -4.377 -13.694 -3.211 1.00 5.41 C ATOM 7 CD PRO A 21 -5.096 -14.419 -4.326 1.00 6.18 C ATOM 0 HA PRO A 21 -2.779 -16.342 -3.929 1.00 5.16 H new ATOM 0 HB2 PRO A 21 -2.951 -14.468 -1.814 1.00 4.92 H new ATOM 0 HB3 PRO A 21 -2.297 -14.160 -3.411 1.00 4.92 H new ATOM 0 HG2 PRO A 21 -5.024 -13.582 -2.341 1.00 5.41 H new ATOM 0 HG3 PRO A 21 -4.087 -12.691 -3.524 1.00 5.41 H new ATOM 0 HD2 PRO A 21 -6.166 -14.212 -4.305 1.00 6.18 H new ATOM 0 HD3 PRO A 21 -4.729 -14.104 -5.303 1.00 6.18 H new ATOM 16 N LEU A 22 -2.743 -17.623 -1.804 1.00 4.14 N ATOM 17 CA LEU A 22 -2.775 -18.505 -0.649 1.00 3.85 C ATOM 18 C LEU A 22 -1.474 -18.376 0.131 1.00 3.48 C ATOM 19 O LEU A 22 -0.460 -18.977 -0.233 1.00 4.01 O ATOM 20 CB LEU A 22 -2.988 -19.961 -1.085 1.00 4.67 C ATOM 21 CG LEU A 22 -4.240 -20.647 -0.520 1.00 5.12 C ATOM 22 CD1 LEU A 22 -4.402 -20.348 0.963 1.00 5.71 C ATOM 23 CD2 LEU A 22 -5.478 -20.213 -1.287 1.00 5.61 C ATOM 0 H LEU A 22 -1.893 -17.694 -2.363 1.00 4.14 H new ATOM 0 HA LEU A 22 -3.608 -18.214 -0.009 1.00 3.85 H new ATOM 0 HB2 LEU A 22 -3.039 -19.992 -2.173 1.00 4.67 H new ATOM 0 HB3 LEU A 22 -2.114 -20.541 -0.790 1.00 4.67 H new ATOM 0 HG LEU A 22 -4.117 -21.724 -0.638 1.00 5.12 H new ATOM 0 HD11 LEU A 22 -5.296 -20.845 1.339 1.00 5.71 H new ATOM 0 HD12 LEU A 22 -3.529 -20.712 1.505 1.00 5.71 H new ATOM 0 HD13 LEU A 22 -4.497 -19.272 1.109 1.00 5.71 H new ATOM 0 HD21 LEU A 22 -6.355 -20.709 -0.872 1.00 5.61 H new ATOM 0 HD22 LEU A 22 -5.598 -19.133 -1.203 1.00 5.61 H new ATOM 0 HD23 LEU A 22 -5.369 -20.485 -2.337 1.00 5.61 H new ATOM 35 N GLY A 23 -1.503 -17.572 1.185 1.00 3.17 N ATOM 36 CA GLY A 23 -0.317 -17.360 1.986 1.00 3.45 C ATOM 37 C GLY A 23 0.488 -16.174 1.498 1.00 2.96 C ATOM 38 O GLY A 23 1.551 -16.343 0.897 1.00 3.32 O ATOM 0 H GLY A 23 -2.329 -17.063 1.499 1.00 3.17 H new ATOM 0 HA2 GLY A 23 -0.604 -17.201 3.025 1.00 3.45 H new ATOM 0 HA3 GLY A 23 0.304 -18.256 1.960 1.00 3.45 H new ATOM 42 N SER A 24 -0.037 -14.973 1.736 1.00 2.37 N ATOM 43 CA SER A 24 0.630 -13.743 1.335 1.00 1.94 C ATOM 44 C SER A 24 2.016 -13.641 1.954 1.00 1.65 C ATOM 45 O SER A 24 2.185 -13.815 3.162 1.00 1.75 O ATOM 46 CB SER A 24 -0.206 -12.542 1.725 1.00 2.01 C ATOM 47 OG SER A 24 -0.686 -12.656 3.055 1.00 2.44 O ATOM 0 H SER A 24 -0.929 -14.829 2.208 1.00 2.37 H new ATOM 0 HA SER A 24 0.744 -13.760 0.251 1.00 1.94 H new ATOM 0 HB2 SER A 24 0.390 -11.635 1.628 1.00 2.01 H new ATOM 0 HB3 SER A 24 -1.048 -12.445 1.040 1.00 2.01 H new ATOM 0 HG SER A 24 0.032 -12.986 3.635 1.00 2.44 H new ATOM 53 N GLU A 25 2.997 -13.365 1.114 1.00 1.39 N ATOM 54 CA GLU A 25 4.386 -13.331 1.530 1.00 1.23 C ATOM 55 C GLU A 25 4.731 -12.075 2.316 1.00 1.05 C ATOM 56 O GLU A 25 4.437 -10.953 1.898 1.00 1.12 O ATOM 57 CB GLU A 25 5.285 -13.431 0.307 1.00 1.48 C ATOM 58 CG GLU A 25 5.686 -14.853 -0.001 1.00 1.13 C ATOM 59 CD GLU A 25 6.536 -14.979 -1.250 1.00 1.28 C ATOM 60 OE1 GLU A 25 7.255 -14.016 -1.588 1.00 1.43 O ATOM 61 OE2 GLU A 25 6.497 -16.049 -1.889 1.00 1.64 O ATOM 0 H GLU A 25 2.853 -13.158 0.126 1.00 1.39 H new ATOM 0 HA GLU A 25 4.548 -14.181 2.193 1.00 1.23 H new ATOM 0 HB2 GLU A 25 4.769 -13.008 -0.555 1.00 1.48 H new ATOM 0 HB3 GLU A 25 6.181 -12.831 0.468 1.00 1.48 H new ATOM 0 HG2 GLU A 25 6.236 -15.260 0.847 1.00 1.13 H new ATOM 0 HG3 GLU A 25 4.788 -15.459 -0.118 1.00 1.13 H new ATOM 68 N VAL A 26 5.366 -12.284 3.458 1.00 0.93 N ATOM 69 CA VAL A 26 5.902 -11.196 4.258 1.00 0.84 C ATOM 70 C VAL A 26 7.422 -11.345 4.358 1.00 0.83 C ATOM 71 O VAL A 26 8.127 -10.472 4.871 1.00 0.85 O ATOM 72 CB VAL A 26 5.262 -11.162 5.668 1.00 0.83 C ATOM 73 CG1 VAL A 26 5.891 -12.195 6.590 1.00 0.93 C ATOM 74 CG2 VAL A 26 5.358 -9.767 6.274 1.00 0.83 C ATOM 0 H VAL A 26 5.524 -13.210 3.855 1.00 0.93 H new ATOM 0 HA VAL A 26 5.660 -10.251 3.771 1.00 0.84 H new ATOM 0 HB VAL A 26 4.208 -11.416 5.557 1.00 0.83 H new ATOM 0 HG11 VAL A 26 5.418 -12.143 7.571 1.00 0.93 H new ATOM 0 HG12 VAL A 26 5.749 -13.191 6.171 1.00 0.93 H new ATOM 0 HG13 VAL A 26 6.957 -11.992 6.690 1.00 0.93 H new ATOM 0 HG21 VAL A 26 4.902 -9.768 7.264 1.00 0.83 H new ATOM 0 HG22 VAL A 26 6.406 -9.478 6.357 1.00 0.83 H new ATOM 0 HG23 VAL A 26 4.835 -9.056 5.635 1.00 0.83 H new ATOM 84 N SER A 27 7.910 -12.470 3.848 1.00 0.91 N ATOM 85 CA SER A 27 9.332 -12.752 3.770 1.00 1.00 C ATOM 86 C SER A 27 9.569 -13.887 2.780 1.00 1.07 C ATOM 87 O SER A 27 8.837 -14.877 2.775 1.00 1.19 O ATOM 88 CB SER A 27 9.893 -13.120 5.147 1.00 1.15 C ATOM 89 OG SER A 27 10.233 -11.958 5.884 1.00 1.61 O ATOM 0 H SER A 27 7.322 -13.216 3.475 1.00 0.91 H new ATOM 0 HA SER A 27 9.850 -11.857 3.426 1.00 1.00 H new ATOM 0 HB2 SER A 27 9.156 -13.703 5.700 1.00 1.15 H new ATOM 0 HB3 SER A 27 10.774 -13.750 5.028 1.00 1.15 H new ATOM 0 HG SER A 27 9.603 -11.239 5.670 1.00 1.61 H new ATOM 95 N ASN A 28 10.565 -13.724 1.927 1.00 1.07 N ATOM 96 CA ASN A 28 10.894 -14.736 0.932 1.00 1.18 C ATOM 97 C ASN A 28 12.371 -15.096 1.033 1.00 1.23 C ATOM 98 O ASN A 28 13.228 -14.219 0.988 1.00 1.12 O ATOM 99 CB ASN A 28 10.555 -14.227 -0.476 1.00 1.19 C ATOM 100 CG ASN A 28 10.651 -15.306 -1.543 1.00 1.39 C ATOM 101 OD1 ASN A 28 11.718 -15.876 -1.778 1.00 1.60 O ATOM 102 ND2 ASN A 28 9.541 -15.581 -2.209 1.00 1.48 N ATOM 0 H ASN A 28 11.163 -12.898 1.902 1.00 1.07 H new ATOM 0 HA ASN A 28 10.302 -15.631 1.122 1.00 1.18 H new ATOM 0 HB2 ASN A 28 9.545 -13.817 -0.473 1.00 1.19 H new ATOM 0 HB3 ASN A 28 11.230 -13.411 -0.732 1.00 1.19 H new ATOM 0 HD21 ASN A 28 9.550 -16.286 -2.946 1.00 1.48 H new ATOM 0 HD22 ASN A 28 8.677 -15.088 -1.985 1.00 1.48 H new ATOM 109 N PRO A 29 12.682 -16.393 1.187 1.00 1.46 N ATOM 110 CA PRO A 29 14.061 -16.871 1.374 1.00 1.60 C ATOM 111 C PRO A 29 14.941 -16.648 0.148 1.00 1.54 C ATOM 112 O PRO A 29 16.066 -16.159 0.261 1.00 1.54 O ATOM 113 CB PRO A 29 13.874 -18.372 1.623 1.00 1.87 C ATOM 114 CG PRO A 29 12.591 -18.697 0.952 1.00 1.86 C ATOM 115 CD PRO A 29 11.716 -17.506 1.196 1.00 1.65 C ATOM 0 HA PRO A 29 14.567 -16.338 2.179 1.00 1.60 H new ATOM 0 HB2 PRO A 29 14.699 -18.950 1.206 1.00 1.87 H new ATOM 0 HB3 PRO A 29 13.834 -18.597 2.689 1.00 1.87 H new ATOM 0 HG2 PRO A 29 12.735 -18.869 -0.115 1.00 1.86 H new ATOM 0 HG3 PRO A 29 12.148 -19.604 1.364 1.00 1.86 H new ATOM 0 HD2 PRO A 29 10.959 -17.393 0.420 1.00 1.65 H new ATOM 0 HD3 PRO A 29 11.189 -17.578 2.147 1.00 1.65 H new ATOM 123 N SER A 30 14.420 -17.000 -1.022 1.00 1.57 N ATOM 124 CA SER A 30 15.182 -16.918 -2.257 1.00 1.63 C ATOM 125 C SER A 30 15.252 -15.482 -2.760 1.00 1.47 C ATOM 126 O SER A 30 16.133 -15.127 -3.546 1.00 1.58 O ATOM 127 CB SER A 30 14.551 -17.821 -3.311 1.00 1.81 C ATOM 128 OG SER A 30 14.527 -19.168 -2.869 1.00 2.18 O ATOM 0 H SER A 30 13.468 -17.346 -1.138 1.00 1.57 H new ATOM 0 HA SER A 30 16.200 -17.254 -2.061 1.00 1.63 H new ATOM 0 HB2 SER A 30 13.536 -17.485 -3.524 1.00 1.81 H new ATOM 0 HB3 SER A 30 15.113 -17.749 -4.242 1.00 1.81 H new ATOM 0 HG SER A 30 14.117 -19.731 -3.558 1.00 2.18 H new ATOM 134 N LYS A 31 14.305 -14.665 -2.323 1.00 1.28 N ATOM 135 CA LYS A 31 14.339 -13.238 -2.624 1.00 1.14 C ATOM 136 C LYS A 31 15.271 -12.542 -1.642 1.00 1.01 C ATOM 137 O LYS A 31 14.986 -12.497 -0.446 1.00 1.03 O ATOM 138 CB LYS A 31 12.939 -12.623 -2.538 1.00 1.14 C ATOM 139 CG LYS A 31 12.796 -11.313 -3.301 1.00 1.18 C ATOM 140 CD LYS A 31 11.579 -10.517 -2.841 1.00 1.26 C ATOM 141 CE LYS A 31 10.282 -11.249 -3.148 1.00 1.93 C ATOM 142 NZ LYS A 31 9.328 -10.409 -3.922 1.00 2.75 N ATOM 0 H LYS A 31 13.507 -14.962 -1.762 1.00 1.28 H new ATOM 0 HA LYS A 31 14.704 -13.104 -3.642 1.00 1.14 H new ATOM 0 HB2 LYS A 31 12.213 -13.339 -2.924 1.00 1.14 H new ATOM 0 HB3 LYS A 31 12.691 -12.452 -1.490 1.00 1.14 H new ATOM 0 HG2 LYS A 31 13.695 -10.713 -3.164 1.00 1.18 H new ATOM 0 HG3 LYS A 31 12.712 -11.521 -4.368 1.00 1.18 H new ATOM 0 HD2 LYS A 31 11.648 -10.333 -1.769 1.00 1.26 H new ATOM 0 HD3 LYS A 31 11.573 -9.544 -3.332 1.00 1.26 H new ATOM 0 HE2 LYS A 31 10.504 -12.156 -3.711 1.00 1.93 H new ATOM 0 HE3 LYS A 31 9.814 -11.560 -2.214 1.00 1.93 H new ATOM 0 HZ1 LYS A 31 8.361 -10.577 -3.579 1.00 2.75 H new ATOM 0 HZ2 LYS A 31 9.570 -9.405 -3.798 1.00 2.75 H new ATOM 0 HZ3 LYS A 31 9.386 -10.657 -4.930 1.00 2.75 H new ATOM 156 N PRO A 32 16.405 -12.003 -2.117 1.00 0.99 N ATOM 157 CA PRO A 32 17.361 -11.333 -1.244 1.00 0.97 C ATOM 158 C PRO A 32 16.777 -10.072 -0.632 1.00 0.85 C ATOM 159 O PRO A 32 15.972 -9.374 -1.255 1.00 0.89 O ATOM 160 CB PRO A 32 18.540 -10.986 -2.155 1.00 1.14 C ATOM 161 CG PRO A 32 18.310 -11.729 -3.431 1.00 1.38 C ATOM 162 CD PRO A 32 16.834 -11.991 -3.522 1.00 1.13 C ATOM 0 HA PRO A 32 17.647 -11.967 -0.405 1.00 0.97 H new ATOM 0 HB2 PRO A 32 18.592 -9.912 -2.333 1.00 1.14 H new ATOM 0 HB3 PRO A 32 19.485 -11.279 -1.698 1.00 1.14 H new ATOM 0 HG2 PRO A 32 18.652 -11.145 -4.285 1.00 1.38 H new ATOM 0 HG3 PRO A 32 18.870 -12.664 -3.440 1.00 1.38 H new ATOM 0 HD2 PRO A 32 16.322 -11.216 -4.092 1.00 1.13 H new ATOM 0 HD3 PRO A 32 16.624 -12.940 -4.015 1.00 1.13 H new ATOM 170 N GLY A 33 17.202 -9.783 0.580 1.00 0.83 N ATOM 171 CA GLY A 33 16.675 -8.653 1.305 1.00 0.79 C ATOM 172 C GLY A 33 17.783 -7.766 1.812 1.00 0.76 C ATOM 173 O GLY A 33 18.744 -8.246 2.414 1.00 0.97 O ATOM 0 H GLY A 33 17.912 -10.317 1.082 1.00 0.83 H new ATOM 0 HA2 GLY A 33 16.013 -8.078 0.657 1.00 0.79 H new ATOM 0 HA3 GLY A 33 16.074 -9.004 2.144 1.00 0.79 H new ATOM 177 N ARG A 34 17.670 -6.478 1.559 1.00 0.81 N ATOM 178 CA ARG A 34 18.692 -5.540 1.969 1.00 0.79 C ATOM 179 C ARG A 34 18.054 -4.260 2.477 1.00 0.79 C ATOM 180 O ARG A 34 16.831 -4.132 2.510 1.00 0.97 O ATOM 181 CB ARG A 34 19.634 -5.239 0.803 1.00 0.82 C ATOM 182 CG ARG A 34 21.104 -5.444 1.140 1.00 1.24 C ATOM 183 CD ARG A 34 21.805 -6.324 0.120 1.00 1.04 C ATOM 184 NE ARG A 34 22.690 -5.549 -0.746 1.00 0.98 N ATOM 185 CZ ARG A 34 23.960 -5.868 -0.996 1.00 1.43 C ATOM 186 NH1 ARG A 34 24.499 -6.936 -0.425 1.00 1.93 N ATOM 187 NH2 ARG A 34 24.693 -5.105 -1.802 1.00 1.56 N ATOM 0 H ARG A 34 16.879 -6.058 1.071 1.00 0.81 H new ATOM 0 HA ARG A 34 19.272 -5.985 2.777 1.00 0.79 H new ATOM 0 HB2 ARG A 34 19.371 -5.877 -0.040 1.00 0.82 H new ATOM 0 HB3 ARG A 34 19.484 -4.208 0.482 1.00 0.82 H new ATOM 0 HG2 ARG A 34 21.603 -4.476 1.188 1.00 1.24 H new ATOM 0 HG3 ARG A 34 21.190 -5.896 2.128 1.00 1.24 H new ATOM 0 HD2 ARG A 34 22.382 -7.091 0.637 1.00 1.04 H new ATOM 0 HD3 ARG A 34 21.061 -6.840 -0.488 1.00 1.04 H new ATOM 0 HE ARG A 34 22.312 -4.711 -1.187 1.00 0.98 H new ATOM 0 HH11 ARG A 34 23.942 -7.513 0.205 1.00 1.93 H new ATOM 0 HH12 ARG A 34 25.471 -7.181 -0.616 1.00 1.93 H new ATOM 0 HH21 ARG A 34 24.284 -4.274 -2.230 1.00 1.56 H new ATOM 0 HH22 ARG A 34 25.665 -5.350 -1.992 1.00 1.56 H new ATOM 201 N LYS A 35 18.887 -3.325 2.880 1.00 0.80 N ATOM 202 CA LYS A 35 18.423 -2.035 3.340 1.00 0.82 C ATOM 203 C LYS A 35 19.049 -0.939 2.498 1.00 0.77 C ATOM 204 O LYS A 35 20.241 -0.668 2.616 1.00 0.93 O ATOM 205 CB LYS A 35 18.790 -1.838 4.808 1.00 0.87 C ATOM 206 CG LYS A 35 17.587 -1.694 5.726 1.00 1.42 C ATOM 207 CD LYS A 35 18.001 -1.653 7.188 1.00 1.71 C ATOM 208 CE LYS A 35 18.511 -0.277 7.588 1.00 1.85 C ATOM 209 NZ LYS A 35 19.832 -0.345 8.264 1.00 2.64 N ATOM 0 H LYS A 35 19.901 -3.437 2.898 1.00 0.80 H new ATOM 0 HA LYS A 35 17.338 -1.990 3.241 1.00 0.82 H new ATOM 0 HB2 LYS A 35 19.390 -2.686 5.140 1.00 0.87 H new ATOM 0 HB3 LYS A 35 19.415 -0.950 4.901 1.00 0.87 H new ATOM 0 HG2 LYS A 35 17.044 -0.783 5.475 1.00 1.42 H new ATOM 0 HG3 LYS A 35 16.903 -2.527 5.564 1.00 1.42 H new ATOM 0 HD2 LYS A 35 17.151 -1.923 7.815 1.00 1.71 H new ATOM 0 HD3 LYS A 35 18.778 -2.396 7.367 1.00 1.71 H new ATOM 0 HE2 LYS A 35 18.590 0.352 6.701 1.00 1.85 H new ATOM 0 HE3 LYS A 35 17.789 0.198 8.252 1.00 1.85 H new ATOM 0 HZ1 LYS A 35 20.141 0.615 8.519 1.00 2.64 H new ATOM 0 HZ2 LYS A 35 19.752 -0.923 9.125 1.00 2.64 H new ATOM 0 HZ3 LYS A 35 20.529 -0.774 7.622 1.00 2.64 H new ATOM 223 N THR A 36 18.268 -0.340 1.622 1.00 0.59 N ATOM 224 CA THR A 36 18.757 0.777 0.835 1.00 0.54 C ATOM 225 C THR A 36 18.102 2.073 1.294 1.00 0.46 C ATOM 226 O THR A 36 17.115 2.055 2.039 1.00 0.46 O ATOM 227 CB THR A 36 18.519 0.581 -0.676 1.00 0.56 C ATOM 228 OG1 THR A 36 17.230 1.093 -1.045 1.00 0.54 O ATOM 229 CG2 THR A 36 18.614 -0.888 -1.070 1.00 0.68 C ATOM 0 H THR A 36 17.300 -0.604 1.437 1.00 0.59 H new ATOM 0 HA THR A 36 19.834 0.831 0.994 1.00 0.54 H new ATOM 0 HB THR A 36 19.297 1.130 -1.206 1.00 0.56 H new ATOM 0 HG1 THR A 36 16.989 0.761 -1.935 1.00 0.54 H new ATOM 0 HG21 THR A 36 18.441 -0.989 -2.141 1.00 0.68 H new ATOM 0 HG22 THR A 36 19.606 -1.267 -0.825 1.00 0.68 H new ATOM 0 HG23 THR A 36 17.863 -1.460 -0.526 1.00 0.68 H new ATOM 237 N ASN A 37 18.658 3.191 0.849 1.00 0.42 N ATOM 238 CA ASN A 37 18.169 4.504 1.231 1.00 0.40 C ATOM 239 C ASN A 37 16.778 4.746 0.661 1.00 0.33 C ATOM 240 O ASN A 37 16.004 5.501 1.228 1.00 0.33 O ATOM 241 CB ASN A 37 19.156 5.595 0.777 1.00 0.48 C ATOM 242 CG ASN A 37 18.703 6.358 -0.459 1.00 0.72 C ATOM 243 OD1 ASN A 37 18.681 5.819 -1.568 1.00 1.47 O ATOM 244 ND2 ASN A 37 18.359 7.623 -0.279 1.00 0.78 N ATOM 0 H ASN A 37 19.457 3.212 0.216 1.00 0.42 H new ATOM 0 HA ASN A 37 18.094 4.547 2.318 1.00 0.40 H new ATOM 0 HB2 ASN A 37 19.304 6.301 1.594 1.00 0.48 H new ATOM 0 HB3 ASN A 37 20.123 5.135 0.574 1.00 0.48 H new ATOM 0 HD21 ASN A 37 18.062 8.189 -1.074 1.00 0.78 H new ATOM 0 HD22 ASN A 37 18.391 8.032 0.655 1.00 0.78 H new ATOM 251 N GLN A 38 16.462 4.087 -0.450 1.00 0.33 N ATOM 252 CA GLN A 38 15.143 4.195 -1.055 1.00 0.31 C ATOM 253 C GLN A 38 14.125 3.389 -0.253 1.00 0.26 C ATOM 254 O GLN A 38 12.988 3.824 -0.057 1.00 0.25 O ATOM 255 CB GLN A 38 15.187 3.701 -2.500 1.00 0.36 C ATOM 256 CG GLN A 38 13.919 3.983 -3.288 1.00 0.46 C ATOM 257 CD GLN A 38 14.065 3.626 -4.751 1.00 0.59 C ATOM 258 OE1 GLN A 38 13.604 2.575 -5.196 1.00 1.04 O ATOM 259 NE2 GLN A 38 14.709 4.501 -5.508 1.00 0.55 N ATOM 0 H GLN A 38 17.105 3.472 -0.949 1.00 0.33 H new ATOM 0 HA GLN A 38 14.840 5.242 -1.050 1.00 0.31 H new ATOM 0 HB2 GLN A 38 16.030 4.170 -3.008 1.00 0.36 H new ATOM 0 HB3 GLN A 38 15.372 2.627 -2.501 1.00 0.36 H new ATOM 0 HG2 GLN A 38 13.093 3.417 -2.858 1.00 0.46 H new ATOM 0 HG3 GLN A 38 13.664 5.039 -3.197 1.00 0.46 H new ATOM 0 HE21 GLN A 38 15.075 5.360 -5.096 1.00 0.55 H new ATOM 0 HE22 GLN A 38 14.839 4.316 -6.503 1.00 0.55 H new ATOM 268 N LEU A 39 14.549 2.220 0.216 1.00 0.28 N ATOM 269 CA LEU A 39 13.687 1.352 1.013 1.00 0.31 C ATOM 270 C LEU A 39 13.266 2.051 2.298 1.00 0.29 C ATOM 271 O LEU A 39 12.076 2.163 2.603 1.00 0.30 O ATOM 272 CB LEU A 39 14.400 0.040 1.348 1.00 0.38 C ATOM 273 CG LEU A 39 13.661 -0.856 2.347 1.00 0.45 C ATOM 274 CD1 LEU A 39 13.055 -2.054 1.641 1.00 0.63 C ATOM 275 CD2 LEU A 39 14.594 -1.311 3.458 1.00 0.80 C ATOM 0 H LEU A 39 15.486 1.851 0.058 1.00 0.28 H new ATOM 0 HA LEU A 39 12.798 1.128 0.423 1.00 0.31 H new ATOM 0 HB2 LEU A 39 14.554 -0.519 0.425 1.00 0.38 H new ATOM 0 HB3 LEU A 39 15.387 0.271 1.750 1.00 0.38 H new ATOM 0 HG LEU A 39 12.856 -0.273 2.794 1.00 0.45 H new ATOM 0 HD11 LEU A 39 12.534 -2.679 2.367 1.00 0.63 H new ATOM 0 HD12 LEU A 39 12.349 -1.712 0.884 1.00 0.63 H new ATOM 0 HD13 LEU A 39 13.845 -2.634 1.164 1.00 0.63 H new ATOM 0 HD21 LEU A 39 14.047 -1.946 4.155 1.00 0.80 H new ATOM 0 HD22 LEU A 39 15.423 -1.873 3.029 1.00 0.80 H new ATOM 0 HD23 LEU A 39 14.981 -0.440 3.987 1.00 0.80 H new ATOM 287 N GLN A 40 14.251 2.534 3.042 1.00 0.29 N ATOM 288 CA GLN A 40 13.993 3.206 4.305 1.00 0.30 C ATOM 289 C GLN A 40 13.348 4.566 4.069 1.00 0.26 C ATOM 290 O GLN A 40 12.657 5.093 4.944 1.00 0.28 O ATOM 291 CB GLN A 40 15.291 3.366 5.096 1.00 0.36 C ATOM 292 CG GLN A 40 15.788 2.068 5.709 1.00 0.42 C ATOM 293 CD GLN A 40 15.161 1.778 7.056 1.00 0.72 C ATOM 294 OE1 GLN A 40 14.472 0.772 7.225 1.00 1.75 O ATOM 295 NE2 GLN A 40 15.390 2.652 8.022 1.00 0.83 N ATOM 0 H GLN A 40 15.238 2.472 2.791 1.00 0.29 H new ATOM 0 HA GLN A 40 13.302 2.593 4.884 1.00 0.30 H new ATOM 0 HB2 GLN A 40 16.062 3.767 4.438 1.00 0.36 H new ATOM 0 HB3 GLN A 40 15.137 4.098 5.889 1.00 0.36 H new ATOM 0 HG2 GLN A 40 15.573 1.244 5.028 1.00 0.42 H new ATOM 0 HG3 GLN A 40 16.871 2.115 5.820 1.00 0.42 H new ATOM 0 HE21 GLN A 40 15.967 3.473 7.840 1.00 0.83 H new ATOM 0 HE22 GLN A 40 14.990 2.505 8.949 1.00 0.83 H new ATOM 304 N TYR A 41 13.574 5.125 2.882 1.00 0.25 N ATOM 305 CA TYR A 41 12.977 6.392 2.511 1.00 0.24 C ATOM 306 C TYR A 41 11.465 6.298 2.512 1.00 0.22 C ATOM 307 O TYR A 41 10.805 6.934 3.319 1.00 0.23 O ATOM 308 CB TYR A 41 13.454 6.825 1.128 1.00 0.24 C ATOM 309 CG TYR A 41 13.147 8.263 0.818 1.00 0.31 C ATOM 310 CD1 TYR A 41 11.949 8.621 0.220 1.00 0.32 C ATOM 311 CD2 TYR A 41 14.050 9.262 1.136 1.00 0.42 C ATOM 312 CE1 TYR A 41 11.658 9.938 -0.055 1.00 0.44 C ATOM 313 CE2 TYR A 41 13.772 10.582 0.864 1.00 0.52 C ATOM 314 CZ TYR A 41 12.574 10.918 0.268 1.00 0.53 C ATOM 315 OH TYR A 41 12.294 12.236 -0.005 1.00 0.64 O ATOM 0 H TYR A 41 14.169 4.714 2.163 1.00 0.25 H new ATOM 0 HA TYR A 41 13.287 7.133 3.248 1.00 0.24 H new ATOM 0 HB2 TYR A 41 14.530 6.667 1.056 1.00 0.24 H new ATOM 0 HB3 TYR A 41 12.987 6.190 0.375 1.00 0.24 H new ATOM 0 HD1 TYR A 41 11.232 7.854 -0.034 1.00 0.32 H new ATOM 0 HD2 TYR A 41 14.987 9.002 1.605 1.00 0.42 H new ATOM 0 HE1 TYR A 41 10.720 10.202 -0.520 1.00 0.44 H new ATOM 0 HE2 TYR A 41 14.488 11.351 1.116 1.00 0.52 H new ATOM 0 HH TYR A 41 12.624 12.462 -0.900 1.00 0.64 H new ATOM 325 N MET A 42 10.916 5.474 1.631 1.00 0.20 N ATOM 326 CA MET A 42 9.472 5.411 1.469 1.00 0.20 C ATOM 327 C MET A 42 8.806 4.996 2.775 1.00 0.21 C ATOM 328 O MET A 42 7.702 5.438 3.082 1.00 0.22 O ATOM 329 CB MET A 42 9.096 4.441 0.345 1.00 0.23 C ATOM 330 CG MET A 42 7.604 4.158 0.252 1.00 0.80 C ATOM 331 SD MET A 42 7.238 2.420 -0.040 1.00 1.07 S ATOM 332 CE MET A 42 7.414 2.341 -1.814 1.00 1.13 C ATOM 0 H MET A 42 11.443 4.846 1.024 1.00 0.20 H new ATOM 0 HA MET A 42 9.115 6.405 1.199 1.00 0.20 H new ATOM 0 HB2 MET A 42 9.439 4.850 -0.605 1.00 0.23 H new ATOM 0 HB3 MET A 42 9.626 3.501 0.497 1.00 0.23 H new ATOM 0 HG2 MET A 42 7.121 4.476 1.176 1.00 0.80 H new ATOM 0 HG3 MET A 42 7.176 4.755 -0.553 1.00 0.80 H new ATOM 0 HE1 MET A 42 7.201 1.328 -2.156 1.00 1.13 H new ATOM 0 HE2 MET A 42 6.716 3.036 -2.280 1.00 1.13 H new ATOM 0 HE3 MET A 42 8.433 2.611 -2.091 1.00 1.13 H new ATOM 342 N GLN A 43 9.511 4.179 3.547 1.00 0.24 N ATOM 343 CA GLN A 43 9.012 3.699 4.827 1.00 0.30 C ATOM 344 C GLN A 43 8.711 4.865 5.770 1.00 0.30 C ATOM 345 O GLN A 43 7.587 5.023 6.244 1.00 0.33 O ATOM 346 CB GLN A 43 10.044 2.762 5.460 1.00 0.42 C ATOM 347 CG GLN A 43 9.505 1.932 6.612 1.00 0.84 C ATOM 348 CD GLN A 43 10.614 1.285 7.415 1.00 0.76 C ATOM 349 OE1 GLN A 43 10.710 1.469 8.629 1.00 1.30 O ATOM 350 NE2 GLN A 43 11.466 0.529 6.739 1.00 0.54 N ATOM 0 H GLN A 43 10.439 3.833 3.305 1.00 0.24 H new ATOM 0 HA GLN A 43 8.083 3.155 4.657 1.00 0.30 H new ATOM 0 HB2 GLN A 43 10.429 2.091 4.692 1.00 0.42 H new ATOM 0 HB3 GLN A 43 10.886 3.355 5.817 1.00 0.42 H new ATOM 0 HG2 GLN A 43 8.907 2.566 7.266 1.00 0.84 H new ATOM 0 HG3 GLN A 43 8.842 1.160 6.223 1.00 0.84 H new ATOM 0 HE21 GLN A 43 11.349 0.403 5.734 1.00 0.54 H new ATOM 0 HE22 GLN A 43 12.239 0.073 7.224 1.00 0.54 H new ATOM 359 N ASN A 44 9.716 5.688 6.030 1.00 0.30 N ATOM 360 CA ASN A 44 9.573 6.787 6.977 1.00 0.33 C ATOM 361 C ASN A 44 9.008 8.040 6.320 1.00 0.31 C ATOM 362 O ASN A 44 8.351 8.849 6.969 1.00 0.34 O ATOM 363 CB ASN A 44 10.919 7.107 7.629 1.00 0.37 C ATOM 364 CG ASN A 44 11.372 6.026 8.588 1.00 0.42 C ATOM 365 OD1 ASN A 44 10.765 5.822 9.639 1.00 0.50 O ATOM 366 ND2 ASN A 44 12.439 5.326 8.236 1.00 0.47 N ATOM 0 H ASN A 44 10.638 5.617 5.600 1.00 0.30 H new ATOM 0 HA ASN A 44 8.865 6.463 7.740 1.00 0.33 H new ATOM 0 HB2 ASN A 44 11.673 7.238 6.853 1.00 0.37 H new ATOM 0 HB3 ASN A 44 10.844 8.054 8.164 1.00 0.37 H new ATOM 0 HD21 ASN A 44 12.787 4.585 8.845 1.00 0.47 H new ATOM 0 HD22 ASN A 44 12.913 5.527 7.356 1.00 0.47 H new ATOM 373 N VAL A 45 9.284 8.207 5.044 1.00 0.27 N ATOM 374 CA VAL A 45 8.887 9.408 4.331 1.00 0.27 C ATOM 375 C VAL A 45 7.488 9.289 3.739 1.00 0.24 C ATOM 376 O VAL A 45 6.601 10.079 4.056 1.00 0.28 O ATOM 377 CB VAL A 45 9.879 9.717 3.195 1.00 0.26 C ATOM 378 CG1 VAL A 45 9.425 10.920 2.393 1.00 0.29 C ATOM 379 CG2 VAL A 45 11.278 9.924 3.750 1.00 0.30 C ATOM 0 H VAL A 45 9.784 7.524 4.475 1.00 0.27 H new ATOM 0 HA VAL A 45 8.887 10.217 5.061 1.00 0.27 H new ATOM 0 HB VAL A 45 9.906 8.861 2.521 1.00 0.26 H new ATOM 0 HG11 VAL A 45 10.142 11.118 1.597 1.00 0.29 H new ATOM 0 HG12 VAL A 45 8.446 10.719 1.958 1.00 0.29 H new ATOM 0 HG13 VAL A 45 9.360 11.790 3.047 1.00 0.29 H new ATOM 0 HG21 VAL A 45 11.965 10.141 2.932 1.00 0.30 H new ATOM 0 HG22 VAL A 45 11.272 10.759 4.450 1.00 0.30 H new ATOM 0 HG23 VAL A 45 11.602 9.020 4.266 1.00 0.30 H new ATOM 389 N VAL A 46 7.289 8.286 2.900 1.00 0.19 N ATOM 390 CA VAL A 46 6.072 8.198 2.105 1.00 0.19 C ATOM 391 C VAL A 46 4.911 7.593 2.895 1.00 0.19 C ATOM 392 O VAL A 46 3.942 8.287 3.204 1.00 0.19 O ATOM 393 CB VAL A 46 6.302 7.387 0.811 1.00 0.20 C ATOM 394 CG1 VAL A 46 5.035 7.336 -0.031 1.00 0.26 C ATOM 395 CG2 VAL A 46 7.447 7.977 0.002 1.00 0.22 C ATOM 0 H VAL A 46 7.950 7.524 2.751 1.00 0.19 H new ATOM 0 HA VAL A 46 5.804 9.220 1.838 1.00 0.19 H new ATOM 0 HB VAL A 46 6.567 6.369 1.097 1.00 0.20 H new ATOM 0 HG11 VAL A 46 5.223 6.759 -0.937 1.00 0.26 H new ATOM 0 HG12 VAL A 46 4.237 6.863 0.541 1.00 0.26 H new ATOM 0 HG13 VAL A 46 4.737 8.349 -0.301 1.00 0.26 H new ATOM 0 HG21 VAL A 46 7.592 7.390 -0.905 1.00 0.22 H new ATOM 0 HG22 VAL A 46 7.211 9.007 -0.266 1.00 0.22 H new ATOM 0 HG23 VAL A 46 8.360 7.957 0.596 1.00 0.22 H new ATOM 405 N VAL A 47 5.019 6.314 3.246 1.00 0.20 N ATOM 406 CA VAL A 47 3.907 5.621 3.888 1.00 0.23 C ATOM 407 C VAL A 47 3.661 6.150 5.302 1.00 0.23 C ATOM 408 O VAL A 47 2.522 6.216 5.742 1.00 0.25 O ATOM 409 CB VAL A 47 4.095 4.078 3.901 1.00 0.31 C ATOM 410 CG1 VAL A 47 5.508 3.687 4.275 1.00 0.70 C ATOM 411 CG2 VAL A 47 3.096 3.402 4.828 1.00 0.83 C ATOM 0 H VAL A 47 5.852 5.744 3.099 1.00 0.20 H new ATOM 0 HA VAL A 47 3.024 5.831 3.285 1.00 0.23 H new ATOM 0 HB VAL A 47 3.908 3.731 2.885 1.00 0.31 H new ATOM 0 HG11 VAL A 47 5.598 2.601 4.273 1.00 0.70 H new ATOM 0 HG12 VAL A 47 6.206 4.110 3.553 1.00 0.70 H new ATOM 0 HG13 VAL A 47 5.740 4.068 5.270 1.00 0.70 H new ATOM 0 HG21 VAL A 47 3.257 2.324 4.812 1.00 0.83 H new ATOM 0 HG22 VAL A 47 3.232 3.774 5.843 1.00 0.83 H new ATOM 0 HG23 VAL A 47 2.082 3.623 4.494 1.00 0.83 H new ATOM 421 N LYS A 48 4.715 6.568 6.001 1.00 0.26 N ATOM 422 CA LYS A 48 4.549 7.142 7.333 1.00 0.30 C ATOM 423 C LYS A 48 3.708 8.420 7.281 1.00 0.28 C ATOM 424 O LYS A 48 3.054 8.785 8.258 1.00 0.33 O ATOM 425 CB LYS A 48 5.908 7.432 7.966 1.00 0.36 C ATOM 426 CG LYS A 48 6.012 7.001 9.419 1.00 0.53 C ATOM 427 CD LYS A 48 6.232 5.501 9.547 1.00 1.25 C ATOM 428 CE LYS A 48 5.707 4.967 10.872 1.00 1.79 C ATOM 429 NZ LYS A 48 6.704 4.100 11.556 1.00 2.40 N ATOM 0 H LYS A 48 5.679 6.521 5.672 1.00 0.26 H new ATOM 0 HA LYS A 48 4.024 6.411 7.948 1.00 0.30 H new ATOM 0 HB2 LYS A 48 6.682 6.925 7.390 1.00 0.36 H new ATOM 0 HB3 LYS A 48 6.109 8.501 7.899 1.00 0.36 H new ATOM 0 HG2 LYS A 48 6.835 7.532 9.898 1.00 0.53 H new ATOM 0 HG3 LYS A 48 5.101 7.282 9.948 1.00 0.53 H new ATOM 0 HD2 LYS A 48 5.733 4.988 8.725 1.00 1.25 H new ATOM 0 HD3 LYS A 48 7.296 5.280 9.461 1.00 1.25 H new ATOM 0 HE2 LYS A 48 5.446 5.802 11.522 1.00 1.79 H new ATOM 0 HE3 LYS A 48 4.792 4.400 10.698 1.00 1.79 H new ATOM 0 HZ1 LYS A 48 6.308 3.757 12.454 1.00 2.40 H new ATOM 0 HZ2 LYS A 48 6.935 3.289 10.947 1.00 2.40 H new ATOM 0 HZ3 LYS A 48 7.568 4.647 11.746 1.00 2.40 H new ATOM 443 N THR A 49 3.716 9.097 6.138 1.00 0.23 N ATOM 444 CA THR A 49 2.903 10.292 5.963 1.00 0.24 C ATOM 445 C THR A 49 1.488 9.917 5.516 1.00 0.22 C ATOM 446 O THR A 49 0.507 10.522 5.954 1.00 0.24 O ATOM 447 CB THR A 49 3.534 11.269 4.946 1.00 0.28 C ATOM 448 OG1 THR A 49 4.888 11.562 5.323 1.00 0.55 O ATOM 449 CG2 THR A 49 2.743 12.568 4.866 1.00 0.52 C ATOM 0 H THR A 49 4.274 8.840 5.324 1.00 0.23 H new ATOM 0 HA THR A 49 2.854 10.796 6.928 1.00 0.24 H new ATOM 0 HB THR A 49 3.517 10.790 3.967 1.00 0.28 H new ATOM 0 HG1 THR A 49 5.504 11.087 4.726 1.00 0.55 H new ATOM 0 HG21 THR A 49 3.211 13.235 4.142 1.00 0.52 H new ATOM 0 HG22 THR A 49 1.721 12.353 4.553 1.00 0.52 H new ATOM 0 HG23 THR A 49 2.730 13.047 5.845 1.00 0.52 H new ATOM 457 N LEU A 50 1.389 8.905 4.658 1.00 0.20 N ATOM 458 CA LEU A 50 0.093 8.417 4.193 1.00 0.21 C ATOM 459 C LEU A 50 -0.681 7.786 5.352 1.00 0.20 C ATOM 460 O LEU A 50 -1.889 7.976 5.486 1.00 0.21 O ATOM 461 CB LEU A 50 0.279 7.391 3.063 1.00 0.24 C ATOM 462 CG LEU A 50 -0.667 7.528 1.854 1.00 0.27 C ATOM 463 CD1 LEU A 50 -1.262 6.179 1.484 1.00 0.33 C ATOM 464 CD2 LEU A 50 -1.775 8.532 2.137 1.00 0.29 C ATOM 0 H LEU A 50 2.190 8.407 4.271 1.00 0.20 H new ATOM 0 HA LEU A 50 -0.476 9.262 3.806 1.00 0.21 H new ATOM 0 HB2 LEU A 50 1.306 7.460 2.704 1.00 0.24 H new ATOM 0 HB3 LEU A 50 0.155 6.393 3.483 1.00 0.24 H new ATOM 0 HG LEU A 50 -0.081 7.895 1.011 1.00 0.27 H new ATOM 0 HD11 LEU A 50 -1.927 6.297 0.628 1.00 0.33 H new ATOM 0 HD12 LEU A 50 -0.461 5.486 1.228 1.00 0.33 H new ATOM 0 HD13 LEU A 50 -1.826 5.786 2.330 1.00 0.33 H new ATOM 0 HD21 LEU A 50 -2.427 8.609 1.267 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.355 8.200 2.998 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.337 9.507 2.349 1.00 0.29 H new ATOM 476 N TRP A 51 0.042 7.056 6.190 1.00 0.22 N ATOM 477 CA TRP A 51 -0.531 6.377 7.347 1.00 0.24 C ATOM 478 C TRP A 51 -1.176 7.362 8.315 1.00 0.26 C ATOM 479 O TRP A 51 -2.198 7.065 8.932 1.00 0.29 O ATOM 480 CB TRP A 51 0.563 5.595 8.073 1.00 0.27 C ATOM 481 CG TRP A 51 0.036 4.528 8.978 1.00 0.28 C ATOM 482 CD1 TRP A 51 -0.261 4.648 10.305 1.00 0.31 C ATOM 483 CD2 TRP A 51 -0.250 3.174 8.620 1.00 0.29 C ATOM 484 NE1 TRP A 51 -0.726 3.454 10.792 1.00 0.32 N ATOM 485 CE2 TRP A 51 -0.727 2.529 9.777 1.00 0.31 C ATOM 486 CE3 TRP A 51 -0.155 2.446 7.430 1.00 0.32 C ATOM 487 CZ2 TRP A 51 -1.108 1.188 9.777 1.00 0.35 C ATOM 488 CZ3 TRP A 51 -0.526 1.118 7.429 1.00 0.37 C ATOM 489 CH2 TRP A 51 -1.000 0.499 8.597 1.00 0.39 C ATOM 0 H TRP A 51 1.047 6.917 6.087 1.00 0.22 H new ATOM 0 HA TRP A 51 -1.306 5.699 6.989 1.00 0.24 H new ATOM 0 HB2 TRP A 51 1.224 5.140 7.335 1.00 0.27 H new ATOM 0 HB3 TRP A 51 1.168 6.289 8.657 1.00 0.27 H new ATOM 0 HD1 TRP A 51 -0.146 5.551 10.886 1.00 0.31 H new ATOM 0 HE1 TRP A 51 -1.023 3.281 11.752 1.00 0.32 H new ATOM 0 HE3 TRP A 51 0.203 2.916 6.526 1.00 0.32 H new ATOM 0 HZ2 TRP A 51 -1.475 0.710 10.673 1.00 0.35 H new ATOM 0 HZ3 TRP A 51 -0.451 0.545 6.516 1.00 0.37 H new ATOM 0 HH2 TRP A 51 -1.286 -0.542 8.565 1.00 0.39 H new ATOM 500 N LYS A 52 -0.580 8.536 8.442 1.00 0.27 N ATOM 501 CA LYS A 52 -1.025 9.509 9.427 1.00 0.29 C ATOM 502 C LYS A 52 -2.241 10.292 8.949 1.00 0.30 C ATOM 503 O LYS A 52 -2.801 11.100 9.695 1.00 0.45 O ATOM 504 CB LYS A 52 0.106 10.455 9.781 1.00 0.33 C ATOM 505 CG LYS A 52 0.708 10.171 11.144 1.00 0.48 C ATOM 506 CD LYS A 52 0.377 11.272 12.136 1.00 1.13 C ATOM 507 CE LYS A 52 -0.857 10.930 12.956 1.00 1.74 C ATOM 508 NZ LYS A 52 -0.522 10.696 14.384 1.00 2.24 N ATOM 0 H LYS A 52 0.213 8.839 7.876 1.00 0.27 H new ATOM 0 HA LYS A 52 -1.323 8.957 10.318 1.00 0.29 H new ATOM 0 HB2 LYS A 52 0.885 10.381 9.023 1.00 0.33 H new ATOM 0 HB3 LYS A 52 -0.264 11.480 9.759 1.00 0.33 H new ATOM 0 HG2 LYS A 52 0.333 9.218 11.517 1.00 0.48 H new ATOM 0 HG3 LYS A 52 1.790 10.075 11.053 1.00 0.48 H new ATOM 0 HD2 LYS A 52 1.225 11.430 12.802 1.00 1.13 H new ATOM 0 HD3 LYS A 52 0.212 12.208 11.601 1.00 1.13 H new ATOM 0 HE2 LYS A 52 -1.580 11.742 12.881 1.00 1.74 H new ATOM 0 HE3 LYS A 52 -1.333 10.040 12.544 1.00 1.74 H new ATOM 0 HZ1 LYS A 52 -1.389 10.466 14.911 1.00 2.24 H new ATOM 0 HZ2 LYS A 52 0.149 9.905 14.458 1.00 2.24 H new ATOM 0 HZ3 LYS A 52 -0.091 11.554 14.785 1.00 2.24 H new ATOM 522 N HIS A 53 -2.657 10.050 7.716 1.00 0.25 N ATOM 523 CA HIS A 53 -3.849 10.694 7.189 1.00 0.26 C ATOM 524 C HIS A 53 -5.082 10.034 7.787 1.00 0.31 C ATOM 525 O HIS A 53 -5.226 8.813 7.746 1.00 0.35 O ATOM 526 CB HIS A 53 -3.889 10.601 5.664 1.00 0.24 C ATOM 527 CG HIS A 53 -4.701 11.683 5.014 1.00 0.27 C ATOM 528 ND1 HIS A 53 -5.962 11.439 4.541 1.00 0.27 N ATOM 529 CD2 HIS A 53 -4.380 12.975 4.764 1.00 0.37 C ATOM 530 CE1 HIS A 53 -6.381 12.574 4.011 1.00 0.32 C ATOM 531 NE2 HIS A 53 -5.457 13.538 4.124 1.00 0.39 N ATOM 0 H HIS A 53 -2.191 9.417 7.066 1.00 0.25 H new ATOM 0 HA HIS A 53 -3.830 11.749 7.461 1.00 0.26 H new ATOM 0 HB2 HIS A 53 -2.870 10.643 5.280 1.00 0.24 H new ATOM 0 HB3 HIS A 53 -4.297 9.632 5.379 1.00 0.24 H new ATOM 0 HD2 HIS A 53 -3.454 13.468 5.019 1.00 0.37 H new ATOM 0 HE1 HIS A 53 -7.346 12.708 3.545 1.00 0.32 H new ATOM 0 HE2 HIS A 53 -5.538 14.501 3.798 1.00 0.39 H new ATOM 539 N GLN A 54 -5.978 10.842 8.333 1.00 0.42 N ATOM 540 CA GLN A 54 -7.138 10.321 9.044 1.00 0.54 C ATOM 541 C GLN A 54 -8.246 9.913 8.080 1.00 0.42 C ATOM 542 O GLN A 54 -9.354 9.578 8.498 1.00 0.47 O ATOM 543 CB GLN A 54 -7.650 11.350 10.053 1.00 0.79 C ATOM 544 CG GLN A 54 -6.768 11.473 11.289 1.00 1.09 C ATOM 545 CD GLN A 54 -6.210 10.136 11.754 1.00 1.24 C ATOM 546 OE1 GLN A 54 -6.912 9.338 12.373 1.00 1.91 O ATOM 547 NE2 GLN A 54 -4.945 9.880 11.455 1.00 1.21 N ATOM 0 H GLN A 54 -5.925 11.860 8.298 1.00 0.42 H new ATOM 0 HA GLN A 54 -6.827 9.427 9.584 1.00 0.54 H new ATOM 0 HB2 GLN A 54 -7.719 12.323 9.566 1.00 0.79 H new ATOM 0 HB3 GLN A 54 -8.659 11.076 10.361 1.00 0.79 H new ATOM 0 HG2 GLN A 54 -5.942 12.151 11.074 1.00 1.09 H new ATOM 0 HG3 GLN A 54 -7.345 11.921 12.098 1.00 1.09 H new ATOM 0 HE21 GLN A 54 -4.394 10.566 10.940 1.00 1.21 H new ATOM 0 HE22 GLN A 54 -4.522 8.996 11.740 1.00 1.21 H new ATOM 556 N PHE A 55 -7.944 9.949 6.791 1.00 0.36 N ATOM 557 CA PHE A 55 -8.851 9.431 5.779 1.00 0.31 C ATOM 558 C PHE A 55 -8.351 8.075 5.293 1.00 0.27 C ATOM 559 O PHE A 55 -9.041 7.365 4.570 1.00 0.29 O ATOM 560 CB PHE A 55 -8.968 10.411 4.608 1.00 0.36 C ATOM 561 CG PHE A 55 -10.125 11.371 4.716 1.00 0.45 C ATOM 562 CD1 PHE A 55 -10.713 11.626 5.945 1.00 0.62 C ATOM 563 CD2 PHE A 55 -10.623 12.016 3.593 1.00 0.73 C ATOM 564 CE1 PHE A 55 -11.774 12.505 6.054 1.00 0.76 C ATOM 565 CE2 PHE A 55 -11.684 12.896 3.696 1.00 0.93 C ATOM 566 CZ PHE A 55 -12.260 13.143 4.900 1.00 0.86 C ATOM 0 H PHE A 55 -7.075 10.333 6.421 1.00 0.36 H new ATOM 0 HA PHE A 55 -9.842 9.310 6.218 1.00 0.31 H new ATOM 0 HB2 PHE A 55 -8.043 10.982 4.534 1.00 0.36 H new ATOM 0 HB3 PHE A 55 -9.067 9.843 3.683 1.00 0.36 H new ATOM 0 HD1 PHE A 55 -10.337 11.132 6.829 1.00 0.62 H new ATOM 0 HD2 PHE A 55 -10.177 11.828 2.628 1.00 0.73 H new ATOM 0 HE1 PHE A 55 -12.225 12.700 7.016 1.00 0.76 H new ATOM 0 HE2 PHE A 55 -12.058 13.391 2.812 1.00 0.93 H new ATOM 0 HZ PHE A 55 -13.091 13.829 4.971 1.00 0.86 H new ATOM 576 N ALA A 56 -7.145 7.715 5.723 1.00 0.25 N ATOM 577 CA ALA A 56 -6.531 6.445 5.343 1.00 0.25 C ATOM 578 C ALA A 56 -6.873 5.360 6.354 1.00 0.26 C ATOM 579 O ALA A 56 -6.334 4.255 6.308 1.00 0.28 O ATOM 580 CB ALA A 56 -5.022 6.606 5.234 1.00 0.28 C ATOM 0 H ALA A 56 -6.570 8.289 6.339 1.00 0.25 H new ATOM 0 HA ALA A 56 -6.926 6.146 4.372 1.00 0.25 H new ATOM 0 HB1 ALA A 56 -4.574 5.654 4.950 1.00 0.28 H new ATOM 0 HB2 ALA A 56 -4.790 7.356 4.478 1.00 0.28 H new ATOM 0 HB3 ALA A 56 -4.620 6.924 6.196 1.00 0.28 H new ATOM 586 N TRP A 57 -7.797 5.681 7.244 1.00 0.30 N ATOM 587 CA TRP A 57 -8.162 4.789 8.341 1.00 0.34 C ATOM 588 C TRP A 57 -8.748 3.434 7.879 1.00 0.35 C ATOM 589 O TRP A 57 -8.486 2.420 8.527 1.00 0.40 O ATOM 590 CB TRP A 57 -9.099 5.495 9.338 1.00 0.37 C ATOM 591 CG TRP A 57 -10.449 5.866 8.797 1.00 0.38 C ATOM 592 CD1 TRP A 57 -10.770 6.998 8.109 1.00 0.41 C ATOM 593 CD2 TRP A 57 -11.663 5.112 8.914 1.00 0.42 C ATOM 594 NE1 TRP A 57 -12.104 6.994 7.783 1.00 0.45 N ATOM 595 CE2 TRP A 57 -12.674 5.848 8.266 1.00 0.46 C ATOM 596 CE3 TRP A 57 -11.992 3.887 9.501 1.00 0.46 C ATOM 597 CZ2 TRP A 57 -13.988 5.400 8.191 1.00 0.54 C ATOM 598 CZ3 TRP A 57 -13.298 3.443 9.423 1.00 0.54 C ATOM 599 CH2 TRP A 57 -14.282 4.198 8.772 1.00 0.58 C ATOM 0 H TRP A 57 -8.314 6.560 7.231 1.00 0.30 H new ATOM 0 HA TRP A 57 -7.230 4.544 8.850 1.00 0.34 H new ATOM 0 HB2 TRP A 57 -9.238 4.846 10.203 1.00 0.37 H new ATOM 0 HB3 TRP A 57 -8.607 6.400 9.695 1.00 0.37 H new ATOM 0 HD1 TRP A 57 -10.075 7.785 7.856 1.00 0.41 H new ATOM 0 HE1 TRP A 57 -12.590 7.726 7.265 1.00 0.45 H new ATOM 0 HE3 TRP A 57 -11.240 3.299 10.006 1.00 0.46 H new ATOM 0 HZ2 TRP A 57 -14.749 5.981 7.692 1.00 0.54 H new ATOM 0 HZ3 TRP A 57 -13.565 2.498 9.872 1.00 0.54 H new ATOM 0 HH2 TRP A 57 -15.294 3.823 8.728 1.00 0.58 H new ATOM 610 N PRO A 58 -9.536 3.351 6.769 1.00 0.34 N ATOM 611 CA PRO A 58 -10.073 2.066 6.308 1.00 0.40 C ATOM 612 C PRO A 58 -9.014 1.236 5.592 1.00 0.36 C ATOM 613 O PRO A 58 -9.210 0.052 5.324 1.00 0.45 O ATOM 614 CB PRO A 58 -11.193 2.456 5.329 1.00 0.47 C ATOM 615 CG PRO A 58 -11.308 3.943 5.394 1.00 0.40 C ATOM 616 CD PRO A 58 -9.988 4.446 5.893 1.00 0.32 C ATOM 0 HA PRO A 58 -10.422 1.453 7.139 1.00 0.40 H new ATOM 0 HB2 PRO A 58 -10.956 2.128 4.317 1.00 0.47 H new ATOM 0 HB3 PRO A 58 -12.134 1.981 5.606 1.00 0.47 H new ATOM 0 HG2 PRO A 58 -11.536 4.358 4.413 1.00 0.40 H new ATOM 0 HG3 PRO A 58 -12.116 4.242 6.062 1.00 0.40 H new ATOM 0 HD2 PRO A 58 -9.289 4.627 5.077 1.00 0.32 H new ATOM 0 HD3 PRO A 58 -10.092 5.384 6.438 1.00 0.32 H new ATOM 624 N PHE A 59 -7.886 1.868 5.305 1.00 0.31 N ATOM 625 CA PHE A 59 -6.806 1.233 4.569 1.00 0.31 C ATOM 626 C PHE A 59 -5.698 0.794 5.522 1.00 0.31 C ATOM 627 O PHE A 59 -4.606 0.417 5.095 1.00 0.52 O ATOM 628 CB PHE A 59 -6.257 2.208 3.525 1.00 0.36 C ATOM 629 CG PHE A 59 -6.725 1.934 2.127 1.00 0.47 C ATOM 630 CD1 PHE A 59 -6.483 0.708 1.532 1.00 0.92 C ATOM 631 CD2 PHE A 59 -7.417 2.898 1.411 1.00 0.68 C ATOM 632 CE1 PHE A 59 -6.921 0.447 0.249 1.00 1.11 C ATOM 633 CE2 PHE A 59 -7.856 2.643 0.126 1.00 0.87 C ATOM 634 CZ PHE A 59 -7.578 1.440 -0.470 1.00 0.95 C ATOM 0 H PHE A 59 -7.695 2.833 5.575 1.00 0.31 H new ATOM 0 HA PHE A 59 -7.191 0.347 4.063 1.00 0.31 H new ATOM 0 HB2 PHE A 59 -6.547 3.222 3.802 1.00 0.36 H new ATOM 0 HB3 PHE A 59 -5.168 2.171 3.546 1.00 0.36 H new ATOM 0 HD1 PHE A 59 -5.945 -0.053 2.078 1.00 0.92 H new ATOM 0 HD2 PHE A 59 -7.615 3.859 1.862 1.00 0.68 H new ATOM 0 HE1 PHE A 59 -6.754 -0.524 -0.194 1.00 1.11 H new ATOM 0 HE2 PHE A 59 -8.419 3.393 -0.410 1.00 0.87 H new ATOM 0 HZ PHE A 59 -7.868 1.264 -1.495 1.00 0.95 H new ATOM 644 N TYR A 60 -5.993 0.850 6.817 1.00 0.35 N ATOM 645 CA TYR A 60 -5.031 0.477 7.850 1.00 0.39 C ATOM 646 C TYR A 60 -4.842 -1.033 7.900 1.00 0.45 C ATOM 647 O TYR A 60 -3.761 -1.530 8.227 1.00 0.63 O ATOM 648 CB TYR A 60 -5.523 0.954 9.219 1.00 0.46 C ATOM 649 CG TYR A 60 -5.057 2.337 9.621 1.00 0.37 C ATOM 650 CD1 TYR A 60 -4.487 3.217 8.707 1.00 0.32 C ATOM 651 CD2 TYR A 60 -5.203 2.764 10.934 1.00 0.49 C ATOM 652 CE1 TYR A 60 -4.076 4.481 9.096 1.00 0.31 C ATOM 653 CE2 TYR A 60 -4.799 4.023 11.327 1.00 0.56 C ATOM 654 CZ TYR A 60 -4.238 4.877 10.408 1.00 0.45 C ATOM 655 OH TYR A 60 -3.839 6.136 10.803 1.00 0.58 O ATOM 0 H TYR A 60 -6.898 1.152 7.179 1.00 0.35 H new ATOM 0 HA TYR A 60 -4.079 0.949 7.606 1.00 0.39 H new ATOM 0 HB2 TYR A 60 -6.613 0.939 9.222 1.00 0.46 H new ATOM 0 HB3 TYR A 60 -5.193 0.242 9.975 1.00 0.46 H new ATOM 0 HD1 TYR A 60 -4.363 2.910 7.679 1.00 0.32 H new ATOM 0 HD2 TYR A 60 -5.641 2.097 11.662 1.00 0.49 H new ATOM 0 HE1 TYR A 60 -3.631 5.153 8.377 1.00 0.31 H new ATOM 0 HE2 TYR A 60 -4.923 4.336 12.353 1.00 0.56 H new ATOM 0 HH TYR A 60 -3.543 6.646 10.020 1.00 0.58 H new ATOM 665 N GLN A 61 -5.902 -1.756 7.580 1.00 0.46 N ATOM 666 CA GLN A 61 -5.908 -3.202 7.715 1.00 0.55 C ATOM 667 C GLN A 61 -6.023 -3.866 6.350 1.00 0.56 C ATOM 668 O GLN A 61 -6.703 -3.353 5.462 1.00 0.57 O ATOM 669 CB GLN A 61 -7.063 -3.655 8.617 1.00 0.65 C ATOM 670 CG GLN A 61 -7.816 -2.514 9.284 1.00 0.71 C ATOM 671 CD GLN A 61 -9.167 -2.946 9.813 1.00 1.09 C ATOM 672 OE1 GLN A 61 -9.256 -3.827 10.668 1.00 1.57 O ATOM 673 NE2 GLN A 61 -10.227 -2.329 9.315 1.00 1.63 N ATOM 0 H GLN A 61 -6.773 -1.363 7.223 1.00 0.46 H new ATOM 0 HA GLN A 61 -4.966 -3.504 8.174 1.00 0.55 H new ATOM 0 HB2 GLN A 61 -7.765 -4.241 8.023 1.00 0.65 H new ATOM 0 HB3 GLN A 61 -6.669 -4.316 9.389 1.00 0.65 H new ATOM 0 HG2 GLN A 61 -7.217 -2.118 10.104 1.00 0.71 H new ATOM 0 HG3 GLN A 61 -7.951 -1.704 8.568 1.00 0.71 H new ATOM 0 HE21 GLN A 61 -10.109 -1.604 8.607 1.00 1.63 H new ATOM 0 HE22 GLN A 61 -11.161 -2.579 9.639 1.00 1.63 H new ATOM 682 N PRO A 62 -5.358 -5.014 6.178 1.00 0.63 N ATOM 683 CA PRO A 62 -5.357 -5.751 4.911 1.00 0.68 C ATOM 684 C PRO A 62 -6.725 -6.314 4.552 1.00 0.69 C ATOM 685 O PRO A 62 -7.546 -6.608 5.430 1.00 0.77 O ATOM 686 CB PRO A 62 -4.370 -6.897 5.160 1.00 0.78 C ATOM 687 CG PRO A 62 -4.311 -7.052 6.637 1.00 0.87 C ATOM 688 CD PRO A 62 -4.538 -5.681 7.205 1.00 0.73 C ATOM 0 HA PRO A 62 -5.088 -5.103 4.077 1.00 0.68 H new ATOM 0 HB2 PRO A 62 -4.707 -7.817 4.681 1.00 0.78 H new ATOM 0 HB3 PRO A 62 -3.387 -6.665 4.750 1.00 0.78 H new ATOM 0 HG2 PRO A 62 -5.071 -7.750 6.987 1.00 0.87 H new ATOM 0 HG3 PRO A 62 -3.345 -7.449 6.950 1.00 0.87 H new ATOM 0 HD2 PRO A 62 -5.054 -5.724 8.164 1.00 0.73 H new ATOM 0 HD3 PRO A 62 -3.598 -5.155 7.372 1.00 0.73 H new ATOM 696 N VAL A 63 -6.972 -6.456 3.256 1.00 0.66 N ATOM 697 CA VAL A 63 -8.179 -7.104 2.790 1.00 0.69 C ATOM 698 C VAL A 63 -8.098 -8.600 3.095 1.00 0.77 C ATOM 699 O VAL A 63 -7.379 -9.366 2.448 1.00 0.88 O ATOM 700 CB VAL A 63 -8.455 -6.822 1.287 1.00 0.73 C ATOM 701 CG1 VAL A 63 -9.053 -8.027 0.591 1.00 0.82 C ATOM 702 CG2 VAL A 63 -9.395 -5.634 1.137 1.00 0.75 C ATOM 0 H VAL A 63 -6.351 -6.130 2.515 1.00 0.66 H new ATOM 0 HA VAL A 63 -9.031 -6.685 3.325 1.00 0.69 H new ATOM 0 HB VAL A 63 -7.497 -6.596 0.818 1.00 0.73 H new ATOM 0 HG11 VAL A 63 -9.231 -7.790 -0.458 1.00 0.82 H new ATOM 0 HG12 VAL A 63 -8.362 -8.867 0.661 1.00 0.82 H new ATOM 0 HG13 VAL A 63 -9.996 -8.292 1.069 1.00 0.82 H new ATOM 0 HG21 VAL A 63 -9.580 -5.448 0.079 1.00 0.75 H new ATOM 0 HG22 VAL A 63 -10.339 -5.851 1.637 1.00 0.75 H new ATOM 0 HG23 VAL A 63 -8.941 -4.751 1.587 1.00 0.75 H new ATOM 712 N ASP A 64 -8.796 -8.979 4.151 1.00 0.79 N ATOM 713 CA ASP A 64 -8.906 -10.373 4.559 1.00 0.93 C ATOM 714 C ASP A 64 -10.197 -10.955 3.994 1.00 1.00 C ATOM 715 O ASP A 64 -10.572 -12.095 4.271 1.00 1.51 O ATOM 716 CB ASP A 64 -8.879 -10.454 6.093 1.00 1.02 C ATOM 717 CG ASP A 64 -9.156 -11.843 6.637 1.00 1.29 C ATOM 718 OD1 ASP A 64 -8.302 -12.737 6.443 1.00 1.42 O ATOM 719 OD2 ASP A 64 -10.225 -12.047 7.250 1.00 1.85 O ATOM 0 H ASP A 64 -9.304 -8.330 4.752 1.00 0.79 H new ATOM 0 HA ASP A 64 -8.068 -10.954 4.172 1.00 0.93 H new ATOM 0 HB2 ASP A 64 -7.903 -10.123 6.448 1.00 1.02 H new ATOM 0 HB3 ASP A 64 -9.617 -9.762 6.497 1.00 1.02 H new ATOM 724 N ALA A 65 -10.858 -10.140 3.171 1.00 0.94 N ATOM 725 CA ALA A 65 -12.155 -10.464 2.588 1.00 0.94 C ATOM 726 C ALA A 65 -13.237 -10.463 3.658 1.00 1.03 C ATOM 727 O ALA A 65 -14.040 -9.539 3.732 1.00 1.29 O ATOM 728 CB ALA A 65 -12.125 -11.797 1.843 1.00 0.96 C ATOM 0 H ALA A 65 -10.502 -9.227 2.889 1.00 0.94 H new ATOM 0 HA ALA A 65 -12.390 -9.691 1.856 1.00 0.94 H new ATOM 0 HB1 ALA A 65 -13.110 -12.002 1.424 1.00 0.96 H new ATOM 0 HB2 ALA A 65 -11.391 -11.748 1.038 1.00 0.96 H new ATOM 0 HB3 ALA A 65 -11.852 -12.594 2.534 1.00 0.96 H new ATOM 734 N ILE A 66 -13.213 -11.466 4.518 1.00 1.03 N ATOM 735 CA ILE A 66 -14.229 -11.634 5.550 1.00 1.14 C ATOM 736 C ILE A 66 -14.184 -10.485 6.559 1.00 1.13 C ATOM 737 O ILE A 66 -15.224 -9.980 6.990 1.00 1.19 O ATOM 738 CB ILE A 66 -14.052 -12.978 6.288 1.00 1.24 C ATOM 739 CG1 ILE A 66 -14.049 -14.133 5.284 1.00 1.35 C ATOM 740 CG2 ILE A 66 -15.154 -13.179 7.322 1.00 1.37 C ATOM 741 CD1 ILE A 66 -13.022 -15.202 5.589 1.00 1.89 C ATOM 0 H ILE A 66 -12.492 -12.187 4.523 1.00 1.03 H new ATOM 0 HA ILE A 66 -15.200 -11.629 5.054 1.00 1.14 H new ATOM 0 HB ILE A 66 -13.095 -12.960 6.810 1.00 1.24 H new ATOM 0 HG12 ILE A 66 -15.039 -14.588 5.264 1.00 1.35 H new ATOM 0 HG13 ILE A 66 -13.861 -13.735 4.287 1.00 1.35 H new ATOM 0 HG21 ILE A 66 -15.008 -14.133 7.829 1.00 1.37 H new ATOM 0 HG22 ILE A 66 -15.119 -12.371 8.053 1.00 1.37 H new ATOM 0 HG23 ILE A 66 -16.124 -13.177 6.825 1.00 1.37 H new ATOM 0 HD11 ILE A 66 -13.079 -15.987 4.835 1.00 1.89 H new ATOM 0 HD12 ILE A 66 -12.025 -14.762 5.580 1.00 1.89 H new ATOM 0 HD13 ILE A 66 -13.221 -15.628 6.572 1.00 1.89 H new ATOM 753 N LYS A 67 -12.974 -10.060 6.905 1.00 1.10 N ATOM 754 CA LYS A 67 -12.777 -8.975 7.866 1.00 1.15 C ATOM 755 C LYS A 67 -13.421 -7.670 7.389 1.00 1.13 C ATOM 756 O LYS A 67 -13.758 -6.806 8.196 1.00 1.27 O ATOM 757 CB LYS A 67 -11.283 -8.758 8.112 1.00 1.21 C ATOM 758 CG LYS A 67 -10.976 -7.941 9.359 1.00 1.50 C ATOM 759 CD LYS A 67 -9.985 -6.821 9.075 1.00 1.90 C ATOM 760 CE LYS A 67 -8.621 -7.110 9.683 1.00 2.46 C ATOM 761 NZ LYS A 67 -8.438 -6.430 10.995 1.00 2.99 N ATOM 0 H LYS A 67 -12.109 -10.451 6.533 1.00 1.10 H new ATOM 0 HA LYS A 67 -13.263 -9.266 8.797 1.00 1.15 H new ATOM 0 HB2 LYS A 67 -10.794 -9.728 8.196 1.00 1.21 H new ATOM 0 HB3 LYS A 67 -10.851 -8.257 7.246 1.00 1.21 H new ATOM 0 HG2 LYS A 67 -11.900 -7.517 9.752 1.00 1.50 H new ATOM 0 HG3 LYS A 67 -10.572 -8.596 10.131 1.00 1.50 H new ATOM 0 HD2 LYS A 67 -9.883 -6.690 7.998 1.00 1.90 H new ATOM 0 HD3 LYS A 67 -10.371 -5.883 9.475 1.00 1.90 H new ATOM 0 HE2 LYS A 67 -8.503 -8.186 9.813 1.00 2.46 H new ATOM 0 HE3 LYS A 67 -7.841 -6.785 8.994 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 -7.423 -6.363 11.213 1.00 2.99 H new ATOM 0 HZ2 LYS A 67 -8.847 -5.475 10.951 1.00 2.99 H new ATOM 0 HZ3 LYS A 67 -8.916 -6.977 11.739 1.00 2.99 H new ATOM 775 N LEU A 68 -13.597 -7.531 6.081 1.00 1.02 N ATOM 776 CA LEU A 68 -14.176 -6.312 5.522 1.00 1.03 C ATOM 777 C LEU A 68 -15.500 -6.594 4.815 1.00 1.05 C ATOM 778 O LEU A 68 -16.078 -5.706 4.188 1.00 1.10 O ATOM 779 CB LEU A 68 -13.196 -5.657 4.549 1.00 1.02 C ATOM 780 CG LEU A 68 -12.701 -4.262 4.948 1.00 1.07 C ATOM 781 CD1 LEU A 68 -13.847 -3.401 5.461 1.00 1.61 C ATOM 782 CD2 LEU A 68 -11.599 -4.365 5.993 1.00 1.66 C ATOM 0 H LEU A 68 -13.350 -8.240 5.391 1.00 1.02 H new ATOM 0 HA LEU A 68 -14.373 -5.630 6.349 1.00 1.03 H new ATOM 0 HB2 LEU A 68 -12.332 -6.311 4.436 1.00 1.02 H new ATOM 0 HB3 LEU A 68 -13.673 -5.588 3.572 1.00 1.02 H new ATOM 0 HG LEU A 68 -12.291 -3.782 4.059 1.00 1.07 H new ATOM 0 HD11 LEU A 68 -13.468 -2.417 5.737 1.00 1.61 H new ATOM 0 HD12 LEU A 68 -14.600 -3.294 4.680 1.00 1.61 H new ATOM 0 HD13 LEU A 68 -14.295 -3.875 6.334 1.00 1.61 H new ATOM 0 HD21 LEU A 68 -11.260 -3.365 6.264 1.00 1.66 H new ATOM 0 HD22 LEU A 68 -11.984 -4.870 6.879 1.00 1.66 H new ATOM 0 HD23 LEU A 68 -10.763 -4.933 5.585 1.00 1.66 H new ATOM 794 N ASN A 69 -15.961 -7.838 4.922 1.00 1.06 N ATOM 795 CA ASN A 69 -17.225 -8.275 4.317 1.00 1.12 C ATOM 796 C ASN A 69 -17.166 -8.220 2.787 1.00 1.09 C ATOM 797 O ASN A 69 -18.156 -7.916 2.121 1.00 1.15 O ATOM 798 CB ASN A 69 -18.399 -7.442 4.840 1.00 1.24 C ATOM 799 CG ASN A 69 -19.713 -8.201 4.824 1.00 1.34 C ATOM 800 OD1 ASN A 69 -20.650 -7.833 4.116 1.00 1.74 O ATOM 801 ND2 ASN A 69 -19.798 -9.261 5.616 1.00 1.55 N ATOM 0 H ASN A 69 -15.471 -8.575 5.430 1.00 1.06 H new ATOM 0 HA ASN A 69 -17.383 -9.314 4.607 1.00 1.12 H new ATOM 0 HB2 ASN A 69 -18.184 -7.119 5.859 1.00 1.24 H new ATOM 0 HB3 ASN A 69 -18.498 -6.541 4.234 1.00 1.24 H new ATOM 0 HD21 ASN A 69 -20.662 -9.802 5.653 1.00 1.55 H new ATOM 0 HD22 ASN A 69 -19.000 -9.535 6.188 1.00 1.55 H new ATOM 808 N LEU A 70 -15.994 -8.525 2.241 1.00 1.04 N ATOM 809 CA LEU A 70 -15.788 -8.577 0.796 1.00 1.01 C ATOM 810 C LEU A 70 -15.336 -9.974 0.375 1.00 0.99 C ATOM 811 O LEU A 70 -14.168 -10.177 0.050 1.00 0.95 O ATOM 812 CB LEU A 70 -14.738 -7.550 0.376 1.00 1.01 C ATOM 813 CG LEU A 70 -14.771 -6.253 1.162 1.00 1.13 C ATOM 814 CD1 LEU A 70 -13.430 -5.560 1.061 1.00 1.61 C ATOM 815 CD2 LEU A 70 -15.890 -5.359 0.662 1.00 1.54 C ATOM 0 H LEU A 70 -15.160 -8.743 2.786 1.00 1.04 H new ATOM 0 HA LEU A 70 -16.733 -8.345 0.304 1.00 1.01 H new ATOM 0 HB2 LEU A 70 -13.750 -7.997 0.480 1.00 1.01 H new ATOM 0 HB3 LEU A 70 -14.875 -7.322 -0.681 1.00 1.01 H new ATOM 0 HG LEU A 70 -14.967 -6.474 2.211 1.00 1.13 H new ATOM 0 HD11 LEU A 70 -13.458 -4.629 1.627 1.00 1.61 H new ATOM 0 HD12 LEU A 70 -12.654 -6.208 1.467 1.00 1.61 H new ATOM 0 HD13 LEU A 70 -13.211 -5.343 0.016 1.00 1.61 H new ATOM 0 HD21 LEU A 70 -15.900 -4.433 1.236 1.00 1.54 H new ATOM 0 HD22 LEU A 70 -15.730 -5.131 -0.392 1.00 1.54 H new ATOM 0 HD23 LEU A 70 -16.845 -5.870 0.782 1.00 1.54 H new ATOM 827 N PRO A 71 -16.250 -10.957 0.368 1.00 1.06 N ATOM 828 CA PRO A 71 -15.895 -12.362 0.115 1.00 1.11 C ATOM 829 C PRO A 71 -15.459 -12.623 -1.326 1.00 1.05 C ATOM 830 O PRO A 71 -14.641 -13.507 -1.590 1.00 1.09 O ATOM 831 CB PRO A 71 -17.193 -13.113 0.423 1.00 1.28 C ATOM 832 CG PRO A 71 -18.278 -12.117 0.215 1.00 1.30 C ATOM 833 CD PRO A 71 -17.699 -10.783 0.595 1.00 1.18 C ATOM 0 HA PRO A 71 -15.043 -12.673 0.719 1.00 1.11 H new ATOM 0 HB2 PRO A 71 -17.316 -13.973 -0.235 1.00 1.28 H new ATOM 0 HB3 PRO A 71 -17.196 -13.491 1.445 1.00 1.28 H new ATOM 0 HG2 PRO A 71 -18.612 -12.115 -0.823 1.00 1.30 H new ATOM 0 HG3 PRO A 71 -19.147 -12.354 0.829 1.00 1.30 H new ATOM 0 HD2 PRO A 71 -18.107 -9.979 -0.018 1.00 1.18 H new ATOM 0 HD3 PRO A 71 -17.915 -10.533 1.634 1.00 1.18 H new ATOM 841 N ASP A 72 -15.995 -11.844 -2.256 1.00 1.04 N ATOM 842 CA ASP A 72 -15.704 -12.037 -3.669 1.00 1.07 C ATOM 843 C ASP A 72 -14.683 -11.016 -4.163 1.00 0.94 C ATOM 844 O ASP A 72 -14.465 -10.860 -5.366 1.00 0.95 O ATOM 845 CB ASP A 72 -16.999 -11.977 -4.488 1.00 1.24 C ATOM 846 CG ASP A 72 -17.321 -10.602 -5.040 1.00 1.49 C ATOM 847 OD1 ASP A 72 -17.355 -9.623 -4.261 1.00 1.97 O ATOM 848 OD2 ASP A 72 -17.579 -10.502 -6.258 1.00 1.93 O ATOM 0 H ASP A 72 -16.633 -11.073 -2.057 1.00 1.04 H new ATOM 0 HA ASP A 72 -15.263 -13.025 -3.802 1.00 1.07 H new ATOM 0 HB2 ASP A 72 -16.925 -12.681 -5.317 1.00 1.24 H new ATOM 0 HB3 ASP A 72 -17.828 -12.308 -3.862 1.00 1.24 H new ATOM 853 N TYR A 73 -14.042 -10.339 -3.217 1.00 0.87 N ATOM 854 CA TYR A 73 -12.998 -9.372 -3.535 1.00 0.79 C ATOM 855 C TYR A 73 -11.883 -10.036 -4.335 1.00 0.74 C ATOM 856 O TYR A 73 -11.395 -9.478 -5.312 1.00 0.73 O ATOM 857 CB TYR A 73 -12.426 -8.768 -2.250 1.00 0.78 C ATOM 858 CG TYR A 73 -11.763 -7.419 -2.443 1.00 0.73 C ATOM 859 CD1 TYR A 73 -12.513 -6.251 -2.438 1.00 0.88 C ATOM 860 CD2 TYR A 73 -10.390 -7.316 -2.632 1.00 0.80 C ATOM 861 CE1 TYR A 73 -11.913 -5.018 -2.613 1.00 0.97 C ATOM 862 CE2 TYR A 73 -9.784 -6.087 -2.806 1.00 0.90 C ATOM 863 CZ TYR A 73 -10.550 -4.943 -2.797 1.00 0.94 C ATOM 864 OH TYR A 73 -9.948 -3.717 -2.973 1.00 1.13 O ATOM 0 H TYR A 73 -14.228 -10.443 -2.220 1.00 0.87 H new ATOM 0 HA TYR A 73 -13.438 -8.577 -4.137 1.00 0.79 H new ATOM 0 HB2 TYR A 73 -13.229 -8.665 -1.521 1.00 0.78 H new ATOM 0 HB3 TYR A 73 -11.699 -9.461 -1.828 1.00 0.78 H new ATOM 0 HD1 TYR A 73 -13.582 -6.306 -2.295 1.00 0.88 H new ATOM 0 HD2 TYR A 73 -9.787 -8.212 -2.643 1.00 0.80 H new ATOM 0 HE1 TYR A 73 -12.510 -4.118 -2.605 1.00 0.97 H new ATOM 0 HE2 TYR A 73 -8.715 -6.024 -2.948 1.00 0.90 H new ATOM 0 HH TYR A 73 -10.569 -3.007 -2.708 1.00 1.13 H new ATOM 874 N HIS A 74 -11.530 -11.253 -3.933 1.00 0.79 N ATOM 875 CA HIS A 74 -10.432 -11.993 -4.554 1.00 0.80 C ATOM 876 C HIS A 74 -10.836 -12.575 -5.908 1.00 0.85 C ATOM 877 O HIS A 74 -10.060 -13.299 -6.533 1.00 0.91 O ATOM 878 CB HIS A 74 -9.960 -13.133 -3.643 1.00 0.89 C ATOM 879 CG HIS A 74 -9.673 -12.727 -2.228 1.00 0.79 C ATOM 880 ND1 HIS A 74 -9.052 -11.538 -1.929 1.00 0.91 N ATOM 881 CD2 HIS A 74 -9.923 -13.394 -1.074 1.00 0.91 C ATOM 882 CE1 HIS A 74 -8.936 -11.508 -0.614 1.00 0.78 C ATOM 883 NE2 HIS A 74 -9.449 -12.611 -0.052 1.00 0.82 N ATOM 0 H HIS A 74 -11.992 -11.753 -3.173 1.00 0.79 H new ATOM 0 HA HIS A 74 -9.619 -11.283 -4.706 1.00 0.80 H new ATOM 0 HB2 HIS A 74 -10.722 -13.913 -3.635 1.00 0.89 H new ATOM 0 HB3 HIS A 74 -9.059 -13.572 -4.071 1.00 0.89 H new ATOM 0 HD2 HIS A 74 -10.403 -14.357 -0.978 1.00 0.91 H new ATOM 0 HE1 HIS A 74 -8.485 -10.697 -0.061 1.00 0.78 H new ATOM 0 HE2 HIS A 74 -9.481 -12.827 0.944 1.00 0.82 H new ATOM 891 N LYS A 75 -12.052 -12.280 -6.348 1.00 0.89 N ATOM 892 CA LYS A 75 -12.532 -12.776 -7.628 1.00 0.97 C ATOM 893 C LYS A 75 -12.349 -11.711 -8.700 1.00 0.92 C ATOM 894 O LYS A 75 -12.000 -12.012 -9.840 1.00 1.11 O ATOM 895 CB LYS A 75 -14.004 -13.183 -7.530 1.00 1.09 C ATOM 896 CG LYS A 75 -14.244 -14.387 -6.630 1.00 1.20 C ATOM 897 CD LYS A 75 -14.675 -15.607 -7.429 1.00 1.68 C ATOM 898 CE LYS A 75 -13.495 -16.510 -7.754 1.00 2.05 C ATOM 899 NZ LYS A 75 -13.929 -17.775 -8.405 1.00 2.86 N ATOM 0 H LYS A 75 -12.721 -11.702 -5.839 1.00 0.89 H new ATOM 0 HA LYS A 75 -11.951 -13.657 -7.901 1.00 0.97 H new ATOM 0 HB2 LYS A 75 -14.582 -12.338 -7.155 1.00 1.09 H new ATOM 0 HB3 LYS A 75 -14.378 -13.406 -8.529 1.00 1.09 H new ATOM 0 HG2 LYS A 75 -13.333 -14.617 -6.078 1.00 1.20 H new ATOM 0 HG3 LYS A 75 -15.010 -14.144 -5.894 1.00 1.20 H new ATOM 0 HD2 LYS A 75 -15.419 -16.169 -6.864 1.00 1.68 H new ATOM 0 HD3 LYS A 75 -15.154 -15.286 -8.354 1.00 1.68 H new ATOM 0 HE2 LYS A 75 -12.804 -15.982 -8.411 1.00 2.05 H new ATOM 0 HE3 LYS A 75 -12.951 -16.741 -6.838 1.00 2.05 H new ATOM 0 HZ1 LYS A 75 -13.096 -18.363 -8.611 1.00 2.86 H new ATOM 0 HZ2 LYS A 75 -14.569 -18.291 -7.768 1.00 2.86 H new ATOM 0 HZ3 LYS A 75 -14.426 -17.556 -9.292 1.00 2.86 H new ATOM 913 N ILE A 76 -12.583 -10.462 -8.323 1.00 0.78 N ATOM 914 CA ILE A 76 -12.396 -9.347 -9.236 1.00 0.77 C ATOM 915 C ILE A 76 -11.011 -8.747 -9.049 1.00 0.69 C ATOM 916 O ILE A 76 -10.279 -8.515 -10.015 1.00 0.78 O ATOM 917 CB ILE A 76 -13.462 -8.248 -9.028 1.00 0.82 C ATOM 918 CG1 ILE A 76 -14.865 -8.817 -9.242 1.00 0.94 C ATOM 919 CG2 ILE A 76 -13.215 -7.081 -9.971 1.00 0.87 C ATOM 920 CD1 ILE A 76 -15.874 -8.343 -8.218 1.00 1.00 C ATOM 0 H ILE A 76 -12.903 -10.197 -7.391 1.00 0.78 H new ATOM 0 HA ILE A 76 -12.501 -9.734 -10.249 1.00 0.77 H new ATOM 0 HB ILE A 76 -13.387 -7.886 -8.003 1.00 0.82 H new ATOM 0 HG12 ILE A 76 -15.212 -8.540 -10.237 1.00 0.94 H new ATOM 0 HG13 ILE A 76 -14.815 -9.905 -9.213 1.00 0.94 H new ATOM 0 HG21 ILE A 76 -13.975 -6.316 -9.811 1.00 0.87 H new ATOM 0 HG22 ILE A 76 -12.229 -6.659 -9.777 1.00 0.87 H new ATOM 0 HG23 ILE A 76 -13.263 -7.430 -11.002 1.00 0.87 H new ATOM 0 HD11 ILE A 76 -16.846 -8.787 -8.433 1.00 1.00 H new ATOM 0 HD12 ILE A 76 -15.550 -8.643 -7.222 1.00 1.00 H new ATOM 0 HD13 ILE A 76 -15.954 -7.257 -8.261 1.00 1.00 H new ATOM 932 N ILE A 77 -10.651 -8.508 -7.800 1.00 0.58 N ATOM 933 CA ILE A 77 -9.351 -7.957 -7.481 1.00 0.53 C ATOM 934 C ILE A 77 -8.367 -9.091 -7.230 1.00 0.64 C ATOM 935 O ILE A 77 -8.377 -9.722 -6.175 1.00 0.75 O ATOM 936 CB ILE A 77 -9.414 -7.018 -6.256 1.00 0.46 C ATOM 937 CG1 ILE A 77 -10.405 -5.874 -6.502 1.00 0.47 C ATOM 938 CG2 ILE A 77 -8.039 -6.455 -5.938 1.00 0.44 C ATOM 939 CD1 ILE A 77 -10.141 -5.091 -7.773 1.00 0.50 C ATOM 0 H ILE A 77 -11.244 -8.688 -6.990 1.00 0.58 H new ATOM 0 HA ILE A 77 -9.015 -7.361 -8.330 1.00 0.53 H new ATOM 0 HB ILE A 77 -9.758 -7.602 -5.402 1.00 0.46 H new ATOM 0 HG12 ILE A 77 -11.414 -6.284 -6.543 1.00 0.47 H new ATOM 0 HG13 ILE A 77 -10.373 -5.191 -5.653 1.00 0.47 H new ATOM 0 HG21 ILE A 77 -8.107 -5.797 -5.072 1.00 0.44 H new ATOM 0 HG22 ILE A 77 -7.353 -7.273 -5.719 1.00 0.44 H new ATOM 0 HG23 ILE A 77 -7.670 -5.891 -6.795 1.00 0.44 H new ATOM 0 HD11 ILE A 77 -10.885 -4.300 -7.874 1.00 0.50 H new ATOM 0 HD12 ILE A 77 -9.146 -4.649 -7.728 1.00 0.50 H new ATOM 0 HD13 ILE A 77 -10.203 -5.760 -8.632 1.00 0.50 H new ATOM 951 N LYS A 78 -7.533 -9.349 -8.225 1.00 0.74 N ATOM 952 CA LYS A 78 -6.607 -10.474 -8.193 1.00 0.90 C ATOM 953 C LYS A 78 -5.469 -10.226 -7.213 1.00 0.73 C ATOM 954 O LYS A 78 -4.899 -11.159 -6.646 1.00 0.72 O ATOM 955 CB LYS A 78 -6.041 -10.713 -9.588 1.00 1.16 C ATOM 956 CG LYS A 78 -6.855 -11.696 -10.411 1.00 1.45 C ATOM 957 CD LYS A 78 -6.861 -11.321 -11.886 1.00 1.67 C ATOM 958 CE LYS A 78 -8.121 -10.561 -12.270 1.00 1.72 C ATOM 959 NZ LYS A 78 -8.098 -10.139 -13.697 1.00 1.99 N ATOM 0 H LYS A 78 -7.477 -8.788 -9.075 1.00 0.74 H new ATOM 0 HA LYS A 78 -7.155 -11.356 -7.861 1.00 0.90 H new ATOM 0 HB2 LYS A 78 -5.989 -9.762 -10.119 1.00 1.16 H new ATOM 0 HB3 LYS A 78 -5.020 -11.084 -9.499 1.00 1.16 H new ATOM 0 HG2 LYS A 78 -6.445 -12.699 -10.292 1.00 1.45 H new ATOM 0 HG3 LYS A 78 -7.879 -11.724 -10.038 1.00 1.45 H new ATOM 0 HD2 LYS A 78 -5.986 -10.711 -12.109 1.00 1.67 H new ATOM 0 HD3 LYS A 78 -6.783 -12.224 -12.491 1.00 1.67 H new ATOM 0 HE2 LYS A 78 -8.993 -11.189 -12.091 1.00 1.72 H new ATOM 0 HE3 LYS A 78 -8.224 -9.683 -11.633 1.00 1.72 H new ATOM 0 HZ1 LYS A 78 -8.973 -9.624 -13.921 1.00 1.99 H new ATOM 0 HZ2 LYS A 78 -7.280 -9.519 -13.863 1.00 1.99 H new ATOM 0 HZ3 LYS A 78 -8.025 -10.979 -14.306 1.00 1.99 H new ATOM 973 N ASN A 79 -5.135 -8.962 -7.031 1.00 0.67 N ATOM 974 CA ASN A 79 -4.092 -8.569 -6.093 1.00 0.56 C ATOM 975 C ASN A 79 -4.682 -7.722 -4.969 1.00 0.54 C ATOM 976 O ASN A 79 -4.593 -6.493 -5.002 1.00 0.52 O ATOM 977 CB ASN A 79 -2.981 -7.785 -6.805 1.00 0.60 C ATOM 978 CG ASN A 79 -3.449 -7.102 -8.079 1.00 1.09 C ATOM 979 OD1 ASN A 79 -2.957 -7.397 -9.167 1.00 2.05 O ATOM 980 ND2 ASN A 79 -4.398 -6.185 -7.955 1.00 1.28 N ATOM 0 H ASN A 79 -5.573 -8.183 -7.523 1.00 0.67 H new ATOM 0 HA ASN A 79 -3.660 -9.476 -5.670 1.00 0.56 H new ATOM 0 HB2 ASN A 79 -2.582 -7.034 -6.124 1.00 0.60 H new ATOM 0 HB3 ASN A 79 -2.163 -8.464 -7.045 1.00 0.60 H new ATOM 0 HD21 ASN A 79 -4.745 -5.696 -8.780 1.00 1.28 H new ATOM 0 HD22 ASN A 79 -4.781 -5.968 -7.035 1.00 1.28 H new ATOM 987 N PRO A 80 -5.305 -8.367 -3.968 1.00 0.58 N ATOM 988 CA PRO A 80 -5.918 -7.671 -2.831 1.00 0.60 C ATOM 989 C PRO A 80 -4.871 -7.035 -1.923 1.00 0.55 C ATOM 990 O PRO A 80 -4.275 -7.701 -1.077 1.00 0.64 O ATOM 991 CB PRO A 80 -6.667 -8.783 -2.092 1.00 0.70 C ATOM 992 CG PRO A 80 -5.963 -10.038 -2.464 1.00 0.89 C ATOM 993 CD PRO A 80 -5.460 -9.831 -3.863 1.00 0.67 C ATOM 0 HA PRO A 80 -6.562 -6.851 -3.148 1.00 0.60 H new ATOM 0 HB2 PRO A 80 -6.645 -8.624 -1.014 1.00 0.70 H new ATOM 0 HB3 PRO A 80 -7.715 -8.816 -2.388 1.00 0.70 H new ATOM 0 HG2 PRO A 80 -5.140 -10.241 -1.779 1.00 0.89 H new ATOM 0 HG3 PRO A 80 -6.637 -10.893 -2.414 1.00 0.89 H new ATOM 0 HD2 PRO A 80 -4.514 -10.346 -4.028 1.00 0.67 H new ATOM 0 HD3 PRO A 80 -6.164 -10.213 -4.602 1.00 0.67 H new ATOM 1001 N MET A 81 -4.638 -5.745 -2.116 1.00 0.46 N ATOM 1002 CA MET A 81 -3.623 -5.029 -1.358 1.00 0.43 C ATOM 1003 C MET A 81 -4.168 -3.718 -0.843 1.00 0.43 C ATOM 1004 O MET A 81 -5.096 -3.139 -1.415 1.00 0.55 O ATOM 1005 CB MET A 81 -2.380 -4.787 -2.216 1.00 0.44 C ATOM 1006 CG MET A 81 -1.734 -6.070 -2.705 1.00 0.74 C ATOM 1007 SD MET A 81 -0.403 -6.636 -1.627 1.00 0.82 S ATOM 1008 CE MET A 81 -1.056 -8.219 -1.099 1.00 0.70 C ATOM 0 H MET A 81 -5.140 -5.171 -2.794 1.00 0.46 H new ATOM 0 HA MET A 81 -3.340 -5.645 -0.504 1.00 0.43 H new ATOM 0 HB2 MET A 81 -2.653 -4.174 -3.075 1.00 0.44 H new ATOM 0 HB3 MET A 81 -1.652 -4.218 -1.638 1.00 0.44 H new ATOM 0 HG2 MET A 81 -2.493 -6.849 -2.778 1.00 0.74 H new ATOM 0 HG3 MET A 81 -1.341 -5.914 -3.709 1.00 0.74 H new ATOM 0 HE1 MET A 81 -0.262 -8.804 -0.634 1.00 0.70 H new ATOM 0 HE2 MET A 81 -1.858 -8.060 -0.378 1.00 0.70 H new ATOM 0 HE3 MET A 81 -1.446 -8.758 -1.962 1.00 0.70 H new ATOM 1018 N ASP A 82 -3.562 -3.262 0.228 1.00 0.37 N ATOM 1019 CA ASP A 82 -4.032 -2.116 0.976 1.00 0.36 C ATOM 1020 C ASP A 82 -2.847 -1.212 1.300 1.00 0.35 C ATOM 1021 O ASP A 82 -2.054 -0.906 0.420 1.00 0.53 O ATOM 1022 CB ASP A 82 -4.727 -2.603 2.254 1.00 0.38 C ATOM 1023 CG ASP A 82 -3.873 -3.599 3.014 1.00 0.95 C ATOM 1024 OD1 ASP A 82 -3.771 -4.765 2.577 1.00 1.42 O ATOM 1025 OD2 ASP A 82 -3.275 -3.215 4.030 1.00 1.32 O ATOM 0 H ASP A 82 -2.715 -3.682 0.611 1.00 0.37 H new ATOM 0 HA ASP A 82 -4.751 -1.543 0.390 1.00 0.36 H new ATOM 0 HB2 ASP A 82 -4.948 -1.750 2.895 1.00 0.38 H new ATOM 0 HB3 ASP A 82 -5.681 -3.064 1.996 1.00 0.38 H new ATOM 1030 N MET A 83 -2.696 -0.819 2.555 1.00 0.27 N ATOM 1031 CA MET A 83 -1.578 0.024 2.952 1.00 0.26 C ATOM 1032 C MET A 83 -0.854 -0.587 4.140 1.00 0.25 C ATOM 1033 O MET A 83 0.284 -0.232 4.447 1.00 0.26 O ATOM 1034 CB MET A 83 -2.053 1.434 3.296 1.00 0.31 C ATOM 1035 CG MET A 83 -1.137 2.525 2.770 1.00 0.43 C ATOM 1036 SD MET A 83 -0.560 3.637 4.068 1.00 0.80 S ATOM 1037 CE MET A 83 -2.120 4.211 4.736 1.00 0.38 C ATOM 0 H MET A 83 -3.330 -1.069 3.314 1.00 0.27 H new ATOM 0 HA MET A 83 -0.888 0.090 2.111 1.00 0.26 H new ATOM 0 HB2 MET A 83 -3.053 1.582 2.888 1.00 0.31 H new ATOM 0 HB3 MET A 83 -2.133 1.528 4.379 1.00 0.31 H new ATOM 0 HG2 MET A 83 -0.277 2.067 2.281 1.00 0.43 H new ATOM 0 HG3 MET A 83 -1.665 3.102 2.011 1.00 0.43 H new ATOM 0 HE1 MET A 83 -2.079 5.291 4.879 1.00 0.38 H new ATOM 0 HE2 MET A 83 -2.925 3.967 4.042 1.00 0.38 H new ATOM 0 HE3 MET A 83 -2.307 3.725 5.693 1.00 0.38 H new ATOM 1047 N GLY A 84 -1.501 -1.551 4.773 1.00 0.26 N ATOM 1048 CA GLY A 84 -0.932 -2.181 5.937 1.00 0.29 C ATOM 1049 C GLY A 84 -0.119 -3.373 5.527 1.00 0.26 C ATOM 1050 O GLY A 84 0.884 -3.708 6.155 1.00 0.32 O ATOM 0 H GLY A 84 -2.416 -1.908 4.497 1.00 0.26 H new ATOM 0 HA2 GLY A 84 -0.305 -1.470 6.476 1.00 0.29 H new ATOM 0 HA3 GLY A 84 -1.725 -2.488 6.619 1.00 0.29 H new ATOM 1054 N THR A 85 -0.558 -4.006 4.453 1.00 0.24 N ATOM 1055 CA THR A 85 0.182 -5.092 3.849 1.00 0.25 C ATOM 1056 C THR A 85 1.478 -4.577 3.232 1.00 0.26 C ATOM 1057 O THR A 85 2.521 -5.233 3.302 1.00 0.32 O ATOM 1058 CB THR A 85 -0.669 -5.806 2.778 1.00 0.27 C ATOM 1059 OG1 THR A 85 -1.838 -6.372 3.384 1.00 0.95 O ATOM 1060 CG2 THR A 85 0.118 -6.899 2.077 1.00 0.84 C ATOM 0 H THR A 85 -1.433 -3.781 3.980 1.00 0.24 H new ATOM 0 HA THR A 85 0.427 -5.811 4.631 1.00 0.25 H new ATOM 0 HB THR A 85 -0.958 -5.065 2.033 1.00 0.27 H new ATOM 0 HG1 THR A 85 -2.635 -6.071 2.900 1.00 0.95 H new ATOM 0 HG21 THR A 85 -0.513 -7.380 1.330 1.00 0.84 H new ATOM 0 HG22 THR A 85 0.990 -6.464 1.589 1.00 0.84 H new ATOM 0 HG23 THR A 85 0.443 -7.639 2.808 1.00 0.84 H new ATOM 1068 N ILE A 86 1.412 -3.388 2.651 1.00 0.27 N ATOM 1069 CA ILE A 86 2.593 -2.746 2.098 1.00 0.31 C ATOM 1070 C ILE A 86 3.596 -2.458 3.207 1.00 0.29 C ATOM 1071 O ILE A 86 4.767 -2.833 3.120 1.00 0.32 O ATOM 1072 CB ILE A 86 2.229 -1.433 1.369 1.00 0.36 C ATOM 1073 CG1 ILE A 86 1.540 -1.746 0.042 1.00 0.55 C ATOM 1074 CG2 ILE A 86 3.461 -0.567 1.139 1.00 0.36 C ATOM 1075 CD1 ILE A 86 0.794 -0.569 -0.536 1.00 0.97 C ATOM 0 H ILE A 86 0.552 -2.849 2.551 1.00 0.27 H new ATOM 0 HA ILE A 86 3.037 -3.427 1.372 1.00 0.31 H new ATOM 0 HB ILE A 86 1.543 -0.871 2.003 1.00 0.36 H new ATOM 0 HG12 ILE A 86 2.287 -2.082 -0.677 1.00 0.55 H new ATOM 0 HG13 ILE A 86 0.844 -2.572 0.188 1.00 0.55 H new ATOM 0 HG21 ILE A 86 3.171 0.349 0.624 1.00 0.36 H new ATOM 0 HG22 ILE A 86 3.914 -0.316 2.098 1.00 0.36 H new ATOM 0 HG23 ILE A 86 4.181 -1.113 0.530 1.00 0.36 H new ATOM 0 HD11 ILE A 86 0.329 -0.860 -1.478 1.00 0.97 H new ATOM 0 HD12 ILE A 86 0.024 -0.246 0.165 1.00 0.97 H new ATOM 0 HD13 ILE A 86 1.490 0.251 -0.713 1.00 0.97 H new ATOM 1087 N LYS A 87 3.115 -1.821 4.266 1.00 0.29 N ATOM 1088 CA LYS A 87 3.964 -1.479 5.393 1.00 0.34 C ATOM 1089 C LYS A 87 4.466 -2.740 6.101 1.00 0.34 C ATOM 1090 O LYS A 87 5.567 -2.747 6.645 1.00 0.38 O ATOM 1091 CB LYS A 87 3.216 -0.548 6.362 1.00 0.41 C ATOM 1092 CG LYS A 87 2.658 -1.234 7.602 1.00 0.49 C ATOM 1093 CD LYS A 87 3.015 -0.476 8.870 1.00 0.69 C ATOM 1094 CE LYS A 87 2.053 -0.801 10.000 1.00 1.08 C ATOM 1095 NZ LYS A 87 2.766 -1.066 11.275 1.00 1.15 N ATOM 0 H LYS A 87 2.142 -1.532 4.366 1.00 0.29 H new ATOM 0 HA LYS A 87 4.838 -0.945 5.021 1.00 0.34 H new ATOM 0 HB2 LYS A 87 3.893 0.246 6.677 1.00 0.41 H new ATOM 0 HB3 LYS A 87 2.395 -0.073 5.826 1.00 0.41 H new ATOM 0 HG2 LYS A 87 1.574 -1.313 7.518 1.00 0.49 H new ATOM 0 HG3 LYS A 87 3.048 -2.250 7.663 1.00 0.49 H new ATOM 0 HD2 LYS A 87 4.032 -0.728 9.172 1.00 0.69 H new ATOM 0 HD3 LYS A 87 2.997 0.596 8.672 1.00 0.69 H new ATOM 0 HE2 LYS A 87 1.360 0.029 10.137 1.00 1.08 H new ATOM 0 HE3 LYS A 87 1.457 -1.672 9.730 1.00 1.08 H new ATOM 0 HZ1 LYS A 87 2.123 -1.540 11.940 1.00 1.15 H new ATOM 0 HZ2 LYS A 87 3.588 -1.677 11.093 1.00 1.15 H new ATOM 0 HZ3 LYS A 87 3.088 -0.167 11.686 1.00 1.15 H new ATOM 1109 N LYS A 88 3.673 -3.816 6.062 1.00 0.35 N ATOM 1110 CA LYS A 88 4.061 -5.068 6.703 1.00 0.39 C ATOM 1111 C LYS A 88 5.266 -5.682 6.000 1.00 0.41 C ATOM 1112 O LYS A 88 6.152 -6.246 6.639 1.00 0.46 O ATOM 1113 CB LYS A 88 2.895 -6.058 6.700 1.00 0.42 C ATOM 1114 CG LYS A 88 2.992 -7.112 7.790 1.00 0.73 C ATOM 1115 CD LYS A 88 1.957 -8.212 7.606 1.00 1.26 C ATOM 1116 CE LYS A 88 1.830 -9.066 8.858 1.00 1.68 C ATOM 1117 NZ LYS A 88 1.392 -10.453 8.549 1.00 2.46 N ATOM 0 H LYS A 88 2.766 -3.842 5.596 1.00 0.35 H new ATOM 0 HA LYS A 88 4.333 -4.848 7.735 1.00 0.39 H new ATOM 0 HB2 LYS A 88 1.962 -5.508 6.819 1.00 0.42 H new ATOM 0 HB3 LYS A 88 2.851 -6.553 5.730 1.00 0.42 H new ATOM 0 HG2 LYS A 88 3.991 -7.548 7.786 1.00 0.73 H new ATOM 0 HG3 LYS A 88 2.854 -6.642 8.764 1.00 0.73 H new ATOM 0 HD2 LYS A 88 0.991 -7.769 7.366 1.00 1.26 H new ATOM 0 HD3 LYS A 88 2.238 -8.841 6.761 1.00 1.26 H new ATOM 0 HE2 LYS A 88 2.790 -9.096 9.374 1.00 1.68 H new ATOM 0 HE3 LYS A 88 1.116 -8.604 9.540 1.00 1.68 H new ATOM 0 HZ1 LYS A 88 1.319 -10.999 9.431 1.00 2.46 H new ATOM 0 HZ2 LYS A 88 0.464 -10.428 8.080 1.00 2.46 H new ATOM 0 HZ3 LYS A 88 2.086 -10.904 7.919 1.00 2.46 H new ATOM 1131 N ARG A 89 5.293 -5.564 4.682 1.00 0.40 N ATOM 1132 CA ARG A 89 6.399 -6.082 3.893 1.00 0.44 C ATOM 1133 C ARG A 89 7.629 -5.189 4.041 1.00 0.43 C ATOM 1134 O ARG A 89 8.765 -5.657 3.953 1.00 0.48 O ATOM 1135 CB ARG A 89 5.998 -6.189 2.422 1.00 0.47 C ATOM 1136 CG ARG A 89 5.348 -7.518 2.065 1.00 0.68 C ATOM 1137 CD ARG A 89 4.396 -7.381 0.890 1.00 0.64 C ATOM 1138 NE ARG A 89 5.104 -7.216 -0.381 1.00 0.59 N ATOM 1139 CZ ARG A 89 4.528 -6.750 -1.491 1.00 0.78 C ATOM 1140 NH1 ARG A 89 3.234 -6.447 -1.495 1.00 1.16 N ATOM 1141 NH2 ARG A 89 5.237 -6.602 -2.606 1.00 1.03 N ATOM 0 H ARG A 89 4.560 -5.113 4.135 1.00 0.40 H new ATOM 0 HA ARG A 89 6.648 -7.077 4.262 1.00 0.44 H new ATOM 0 HB2 ARG A 89 5.308 -5.380 2.182 1.00 0.47 H new ATOM 0 HB3 ARG A 89 6.883 -6.048 1.801 1.00 0.47 H new ATOM 0 HG2 ARG A 89 6.121 -8.248 1.824 1.00 0.68 H new ATOM 0 HG3 ARG A 89 4.806 -7.902 2.929 1.00 0.68 H new ATOM 0 HD2 ARG A 89 3.759 -8.264 0.837 1.00 0.64 H new ATOM 0 HD3 ARG A 89 3.742 -6.525 1.053 1.00 0.64 H new ATOM 0 HE ARG A 89 6.091 -7.471 -0.420 1.00 0.59 H new ATOM 0 HH11 ARG A 89 2.679 -6.570 -0.648 1.00 1.16 H new ATOM 0 HH12 ARG A 89 2.796 -6.091 -2.345 1.00 1.16 H new ATOM 0 HH21 ARG A 89 6.228 -6.845 -2.617 1.00 1.03 H new ATOM 0 HH22 ARG A 89 4.790 -6.245 -3.451 1.00 1.03 H new ATOM 1155 N LEU A 90 7.386 -3.905 4.268 1.00 0.40 N ATOM 1156 CA LEU A 90 8.458 -2.934 4.452 1.00 0.41 C ATOM 1157 C LEU A 90 9.176 -3.155 5.777 1.00 0.44 C ATOM 1158 O LEU A 90 10.385 -3.385 5.813 1.00 0.49 O ATOM 1159 CB LEU A 90 7.889 -1.516 4.417 1.00 0.39 C ATOM 1160 CG LEU A 90 8.076 -0.772 3.097 1.00 0.38 C ATOM 1161 CD1 LEU A 90 7.100 0.390 2.991 1.00 0.38 C ATOM 1162 CD2 LEU A 90 9.511 -0.285 2.956 1.00 0.45 C ATOM 0 H LEU A 90 6.448 -3.509 4.330 1.00 0.40 H new ATOM 0 HA LEU A 90 9.174 -3.065 3.641 1.00 0.41 H new ATOM 0 HB2 LEU A 90 6.823 -1.564 4.641 1.00 0.39 H new ATOM 0 HB3 LEU A 90 8.356 -0.935 5.212 1.00 0.39 H new ATOM 0 HG LEU A 90 7.868 -1.465 2.281 1.00 0.38 H new ATOM 0 HD11 LEU A 90 7.251 0.906 2.043 1.00 0.38 H new ATOM 0 HD12 LEU A 90 6.079 0.013 3.041 1.00 0.38 H new ATOM 0 HD13 LEU A 90 7.271 1.085 3.813 1.00 0.38 H new ATOM 0 HD21 LEU A 90 9.625 0.243 2.009 1.00 0.45 H new ATOM 0 HD22 LEU A 90 9.749 0.390 3.778 1.00 0.45 H new ATOM 0 HD23 LEU A 90 10.189 -1.138 2.979 1.00 0.45 H new ATOM 1174 N GLU A 91 8.415 -3.106 6.864 1.00 0.45 N ATOM 1175 CA GLU A 91 8.987 -3.170 8.207 1.00 0.50 C ATOM 1176 C GLU A 91 9.498 -4.573 8.549 1.00 0.54 C ATOM 1177 O GLU A 91 10.123 -4.775 9.590 1.00 0.64 O ATOM 1178 CB GLU A 91 7.967 -2.702 9.257 1.00 0.53 C ATOM 1179 CG GLU A 91 6.721 -3.570 9.350 1.00 0.76 C ATOM 1180 CD GLU A 91 5.922 -3.311 10.612 1.00 0.94 C ATOM 1181 OE1 GLU A 91 6.424 -3.622 11.713 1.00 1.39 O ATOM 1182 OE2 GLU A 91 4.786 -2.798 10.517 1.00 1.23 O ATOM 0 H GLU A 91 7.399 -3.022 6.843 1.00 0.45 H new ATOM 0 HA GLU A 91 9.844 -2.496 8.222 1.00 0.50 H new ATOM 0 HB2 GLU A 91 8.452 -2.678 10.233 1.00 0.53 H new ATOM 0 HB3 GLU A 91 7.667 -1.680 9.025 1.00 0.53 H new ATOM 0 HG2 GLU A 91 6.089 -3.387 8.481 1.00 0.76 H new ATOM 0 HG3 GLU A 91 7.011 -4.620 9.317 1.00 0.76 H new ATOM 1189 N ASN A 92 9.228 -5.539 7.681 1.00 0.51 N ATOM 1190 CA ASN A 92 9.702 -6.903 7.892 1.00 0.57 C ATOM 1191 C ASN A 92 10.849 -7.241 6.943 1.00 0.60 C ATOM 1192 O ASN A 92 11.441 -8.319 7.038 1.00 0.68 O ATOM 1193 CB ASN A 92 8.561 -7.904 7.702 1.00 0.60 C ATOM 1194 CG ASN A 92 8.787 -9.188 8.477 1.00 0.69 C ATOM 1195 OD1 ASN A 92 9.189 -9.163 9.642 1.00 1.00 O ATOM 1196 ND2 ASN A 92 8.538 -10.321 7.838 1.00 1.30 N ATOM 0 H ASN A 92 8.686 -5.406 6.827 1.00 0.51 H new ATOM 0 HA ASN A 92 10.069 -6.971 8.916 1.00 0.57 H new ATOM 0 HB2 ASN A 92 7.624 -7.449 8.023 1.00 0.60 H new ATOM 0 HB3 ASN A 92 8.456 -8.136 6.642 1.00 0.60 H new ATOM 0 HD21 ASN A 92 8.678 -11.214 8.310 1.00 1.30 H new ATOM 0 HD22 ASN A 92 8.206 -10.300 6.874 1.00 1.30 H new ATOM 1203 N ASN A 93 11.166 -6.305 6.043 1.00 0.58 N ATOM 1204 CA ASN A 93 12.212 -6.504 5.031 1.00 0.62 C ATOM 1205 C ASN A 93 11.910 -7.731 4.170 1.00 0.66 C ATOM 1206 O ASN A 93 12.644 -8.718 4.183 1.00 0.77 O ATOM 1207 CB ASN A 93 13.594 -6.635 5.688 1.00 0.70 C ATOM 1208 CG ASN A 93 14.731 -6.357 4.720 1.00 0.87 C ATOM 1209 OD1 ASN A 93 15.548 -7.234 4.436 1.00 1.75 O ATOM 1210 ND2 ASN A 93 14.801 -5.134 4.214 1.00 1.22 N ATOM 0 H ASN A 93 10.710 -5.394 5.994 1.00 0.58 H new ATOM 0 HA ASN A 93 12.223 -5.626 4.385 1.00 0.62 H new ATOM 0 HB2 ASN A 93 13.660 -5.943 6.528 1.00 0.70 H new ATOM 0 HB3 ASN A 93 13.705 -7.641 6.094 1.00 0.70 H new ATOM 0 HD21 ASN A 93 15.550 -4.893 3.565 1.00 1.22 H new ATOM 0 HD22 ASN A 93 14.106 -4.434 4.473 1.00 1.22 H new ATOM 1217 N TYR A 94 10.807 -7.659 3.436 1.00 0.61 N ATOM 1218 CA TYR A 94 10.377 -8.758 2.580 1.00 0.67 C ATOM 1219 C TYR A 94 11.180 -8.800 1.281 1.00 0.70 C ATOM 1220 O TYR A 94 11.341 -9.854 0.669 1.00 0.79 O ATOM 1221 CB TYR A 94 8.880 -8.620 2.276 1.00 0.71 C ATOM 1222 CG TYR A 94 8.417 -9.386 1.057 1.00 0.71 C ATOM 1223 CD1 TYR A 94 8.409 -10.772 1.044 1.00 0.77 C ATOM 1224 CD2 TYR A 94 7.990 -8.720 -0.082 1.00 0.74 C ATOM 1225 CE1 TYR A 94 7.991 -11.472 -0.065 1.00 0.83 C ATOM 1226 CE2 TYR A 94 7.570 -9.414 -1.197 1.00 0.81 C ATOM 1227 CZ TYR A 94 7.571 -10.787 -1.184 1.00 0.85 C ATOM 1228 OH TYR A 94 7.161 -11.478 -2.301 1.00 0.96 O ATOM 0 H TYR A 94 10.191 -6.846 3.416 1.00 0.61 H new ATOM 0 HA TYR A 94 10.555 -9.694 3.109 1.00 0.67 H new ATOM 0 HB2 TYR A 94 8.313 -8.962 3.142 1.00 0.71 H new ATOM 0 HB3 TYR A 94 8.646 -7.565 2.138 1.00 0.71 H new ATOM 0 HD1 TYR A 94 8.737 -11.312 1.920 1.00 0.77 H new ATOM 0 HD2 TYR A 94 7.986 -7.640 -0.096 1.00 0.74 H new ATOM 0 HE1 TYR A 94 7.992 -12.552 -0.058 1.00 0.83 H new ATOM 0 HE2 TYR A 94 7.242 -8.880 -2.077 1.00 0.81 H new ATOM 0 HH TYR A 94 6.864 -12.375 -2.040 1.00 0.96 H new ATOM 1238 N TYR A 95 11.686 -7.651 0.875 1.00 0.77 N ATOM 1239 CA TYR A 95 12.325 -7.523 -0.425 1.00 0.88 C ATOM 1240 C TYR A 95 13.621 -6.738 -0.325 1.00 0.75 C ATOM 1241 O TYR A 95 14.002 -6.276 0.750 1.00 1.04 O ATOM 1242 CB TYR A 95 11.380 -6.831 -1.418 1.00 1.17 C ATOM 1243 CG TYR A 95 10.475 -5.779 -0.796 1.00 0.95 C ATOM 1244 CD1 TYR A 95 10.961 -4.872 0.142 1.00 1.05 C ATOM 1245 CD2 TYR A 95 9.136 -5.693 -1.151 1.00 0.92 C ATOM 1246 CE1 TYR A 95 10.140 -3.919 0.706 1.00 1.09 C ATOM 1247 CE2 TYR A 95 8.308 -4.741 -0.590 1.00 0.96 C ATOM 1248 CZ TYR A 95 8.817 -3.855 0.338 1.00 1.04 C ATOM 1249 OH TYR A 95 8.002 -2.907 0.904 1.00 1.28 O ATOM 0 H TYR A 95 11.668 -6.792 1.425 1.00 0.77 H new ATOM 0 HA TYR A 95 12.555 -8.527 -0.782 1.00 0.88 H new ATOM 0 HB2 TYR A 95 11.976 -6.363 -2.202 1.00 1.17 H new ATOM 0 HB3 TYR A 95 10.760 -7.588 -1.898 1.00 1.17 H new ATOM 0 HD1 TYR A 95 12.000 -4.916 0.433 1.00 1.05 H new ATOM 0 HD2 TYR A 95 8.735 -6.383 -1.879 1.00 0.92 H new ATOM 0 HE1 TYR A 95 10.535 -3.226 1.434 1.00 1.09 H new ATOM 0 HE2 TYR A 95 7.268 -4.690 -0.876 1.00 0.96 H new ATOM 0 HH TYR A 95 7.071 -3.085 0.654 1.00 1.28 H new ATOM 1259 N TRP A 96 14.283 -6.585 -1.462 1.00 0.72 N ATOM 1260 CA TRP A 96 15.518 -5.829 -1.538 1.00 0.65 C ATOM 1261 C TRP A 96 15.265 -4.354 -1.261 1.00 0.61 C ATOM 1262 O TRP A 96 15.969 -3.728 -0.470 1.00 0.64 O ATOM 1263 CB TRP A 96 16.141 -5.997 -2.922 1.00 0.68 C ATOM 1264 CG TRP A 96 17.613 -5.731 -2.947 1.00 0.72 C ATOM 1265 CD1 TRP A 96 18.246 -4.570 -2.601 1.00 0.70 C ATOM 1266 CD2 TRP A 96 18.640 -6.640 -3.353 1.00 0.82 C ATOM 1267 NE1 TRP A 96 19.599 -4.716 -2.743 1.00 0.79 N ATOM 1268 CE2 TRP A 96 19.869 -5.972 -3.211 1.00 0.86 C ATOM 1269 CE3 TRP A 96 18.638 -7.956 -3.815 1.00 0.92 C ATOM 1270 CZ2 TRP A 96 21.085 -6.575 -3.515 1.00 0.97 C ATOM 1271 CZ3 TRP A 96 19.848 -8.553 -4.121 1.00 1.03 C ATOM 1272 CH2 TRP A 96 21.055 -7.862 -3.971 1.00 1.05 C ATOM 0 H TRP A 96 13.979 -6.980 -2.352 1.00 0.72 H new ATOM 0 HA TRP A 96 16.205 -6.209 -0.782 1.00 0.65 H new ATOM 0 HB2 TRP A 96 15.957 -7.012 -3.275 1.00 0.68 H new ATOM 0 HB3 TRP A 96 15.645 -5.322 -3.620 1.00 0.68 H new ATOM 0 HD1 TRP A 96 17.751 -3.671 -2.265 1.00 0.70 H new ATOM 0 HE1 TRP A 96 20.296 -4.001 -2.533 1.00 0.79 H new ATOM 0 HE3 TRP A 96 17.711 -8.498 -3.931 1.00 0.92 H new ATOM 0 HZ2 TRP A 96 22.018 -6.045 -3.395 1.00 0.97 H new ATOM 0 HZ3 TRP A 96 19.861 -9.571 -4.482 1.00 1.03 H new ATOM 0 HH2 TRP A 96 21.982 -8.356 -4.221 1.00 1.05 H new ATOM 1283 N SER A 97 14.250 -3.808 -1.910 1.00 0.60 N ATOM 1284 CA SER A 97 13.978 -2.389 -1.816 1.00 0.56 C ATOM 1285 C SER A 97 12.485 -2.108 -1.984 1.00 0.54 C ATOM 1286 O SER A 97 11.721 -2.972 -2.421 1.00 0.55 O ATOM 1287 CB SER A 97 14.798 -1.641 -2.870 1.00 0.58 C ATOM 1288 OG SER A 97 14.417 -0.279 -2.957 1.00 1.00 O ATOM 0 H SER A 97 13.604 -4.327 -2.505 1.00 0.60 H new ATOM 0 HA SER A 97 14.268 -2.036 -0.826 1.00 0.56 H new ATOM 0 HB2 SER A 97 15.857 -1.708 -2.623 1.00 0.58 H new ATOM 0 HB3 SER A 97 14.667 -2.119 -3.841 1.00 0.58 H new ATOM 0 HG SER A 97 15.216 0.287 -2.924 1.00 1.00 H new ATOM 1294 N ALA A 98 12.087 -0.885 -1.653 1.00 0.54 N ATOM 1295 CA ALA A 98 10.684 -0.492 -1.655 1.00 0.56 C ATOM 1296 C ALA A 98 10.165 -0.261 -3.072 1.00 0.52 C ATOM 1297 O ALA A 98 8.975 -0.026 -3.271 1.00 0.53 O ATOM 1298 CB ALA A 98 10.495 0.756 -0.810 1.00 0.66 C ATOM 0 H ALA A 98 12.726 -0.140 -1.376 1.00 0.54 H new ATOM 0 HA ALA A 98 10.105 -1.309 -1.225 1.00 0.56 H new ATOM 0 HB1 ALA A 98 9.444 1.044 -0.816 1.00 0.66 H new ATOM 0 HB2 ALA A 98 10.810 0.553 0.214 1.00 0.66 H new ATOM 0 HB3 ALA A 98 11.096 1.568 -1.220 1.00 0.66 H new ATOM 1304 N SER A 99 11.052 -0.349 -4.056 1.00 0.52 N ATOM 1305 CA SER A 99 10.671 -0.171 -5.454 1.00 0.54 C ATOM 1306 C SER A 99 9.635 -1.217 -5.863 1.00 0.48 C ATOM 1307 O SER A 99 8.754 -0.952 -6.680 1.00 0.50 O ATOM 1308 CB SER A 99 11.910 -0.273 -6.339 1.00 0.62 C ATOM 1309 OG SER A 99 13.085 -0.240 -5.547 1.00 0.85 O ATOM 0 H SER A 99 12.043 -0.543 -3.912 1.00 0.52 H new ATOM 0 HA SER A 99 10.225 0.816 -5.578 1.00 0.54 H new ATOM 0 HB2 SER A 99 11.878 -1.197 -6.916 1.00 0.62 H new ATOM 0 HB3 SER A 99 11.923 0.549 -7.055 1.00 0.62 H new ATOM 0 HG SER A 99 13.330 0.691 -5.364 1.00 0.85 H new ATOM 1315 N GLU A 100 9.736 -2.394 -5.261 1.00 0.46 N ATOM 1316 CA GLU A 100 8.788 -3.466 -5.510 1.00 0.48 C ATOM 1317 C GLU A 100 7.407 -3.076 -4.983 1.00 0.44 C ATOM 1318 O GLU A 100 6.396 -3.257 -5.663 1.00 0.52 O ATOM 1319 CB GLU A 100 9.266 -4.758 -4.842 1.00 0.56 C ATOM 1320 CG GLU A 100 8.490 -5.993 -5.274 1.00 1.03 C ATOM 1321 CD GLU A 100 8.622 -7.145 -4.298 1.00 1.83 C ATOM 1322 OE1 GLU A 100 9.704 -7.770 -4.244 1.00 2.44 O ATOM 1323 OE2 GLU A 100 7.646 -7.427 -3.565 1.00 2.37 O ATOM 0 H GLU A 100 10.470 -2.629 -4.593 1.00 0.46 H new ATOM 0 HA GLU A 100 8.719 -3.634 -6.585 1.00 0.48 H new ATOM 0 HB2 GLU A 100 10.322 -4.905 -5.070 1.00 0.56 H new ATOM 0 HB3 GLU A 100 9.185 -4.649 -3.760 1.00 0.56 H new ATOM 0 HG2 GLU A 100 7.437 -5.734 -5.382 1.00 1.03 H new ATOM 0 HG3 GLU A 100 8.842 -6.312 -6.255 1.00 1.03 H new ATOM 1330 N CYS A 101 7.384 -2.494 -3.788 1.00 0.41 N ATOM 1331 CA CYS A 101 6.135 -2.122 -3.134 1.00 0.44 C ATOM 1332 C CYS A 101 5.533 -0.870 -3.758 1.00 0.38 C ATOM 1333 O CYS A 101 4.347 -0.599 -3.591 1.00 0.38 O ATOM 1334 CB CYS A 101 6.336 -1.924 -1.633 1.00 0.57 C ATOM 1335 SG CYS A 101 5.396 -3.089 -0.621 1.00 0.95 S ATOM 0 H CYS A 101 8.221 -2.269 -3.251 1.00 0.41 H new ATOM 0 HA CYS A 101 5.435 -2.944 -3.281 1.00 0.44 H new ATOM 0 HB2 CYS A 101 7.396 -2.025 -1.400 1.00 0.57 H new ATOM 0 HB3 CYS A 101 6.047 -0.907 -1.367 1.00 0.57 H new ATOM 0 HG CYS A 101 6.097 -4.169 -0.438 1.00 0.95 H new ATOM 1341 N MET A 102 6.358 -0.089 -4.453 1.00 0.39 N ATOM 1342 CA MET A 102 5.869 1.074 -5.193 1.00 0.44 C ATOM 1343 C MET A 102 4.773 0.649 -6.169 1.00 0.36 C ATOM 1344 O MET A 102 3.863 1.420 -6.483 1.00 0.39 O ATOM 1345 CB MET A 102 7.017 1.757 -5.948 1.00 0.58 C ATOM 1346 CG MET A 102 6.592 3.006 -6.707 1.00 0.75 C ATOM 1347 SD MET A 102 7.587 4.454 -6.289 1.00 1.02 S ATOM 1348 CE MET A 102 7.085 4.741 -4.593 1.00 1.13 C ATOM 0 H MET A 102 7.365 -0.239 -4.520 1.00 0.39 H new ATOM 0 HA MET A 102 5.454 1.788 -4.482 1.00 0.44 H new ATOM 0 HB2 MET A 102 7.800 2.023 -5.238 1.00 0.58 H new ATOM 0 HB3 MET A 102 7.452 1.046 -6.650 1.00 0.58 H new ATOM 0 HG2 MET A 102 6.666 2.817 -7.778 1.00 0.75 H new ATOM 0 HG3 MET A 102 5.544 3.217 -6.492 1.00 0.75 H new ATOM 0 HE1 MET A 102 7.137 5.807 -4.374 1.00 1.13 H new ATOM 0 HE2 MET A 102 6.062 4.391 -4.452 1.00 1.13 H new ATOM 0 HE3 MET A 102 7.750 4.200 -3.920 1.00 1.13 H new ATOM 1358 N GLN A 103 4.862 -0.595 -6.629 1.00 0.34 N ATOM 1359 CA GLN A 103 3.843 -1.169 -7.496 1.00 0.36 C ATOM 1360 C GLN A 103 2.585 -1.486 -6.695 1.00 0.30 C ATOM 1361 O GLN A 103 1.467 -1.236 -7.151 1.00 0.31 O ATOM 1362 CB GLN A 103 4.362 -2.441 -8.160 1.00 0.43 C ATOM 1363 CG GLN A 103 5.143 -2.190 -9.436 1.00 1.36 C ATOM 1364 CD GLN A 103 4.643 -3.028 -10.593 1.00 2.17 C ATOM 1365 OE1 GLN A 103 3.922 -2.537 -11.466 1.00 2.70 O ATOM 1366 NE2 GLN A 103 5.021 -4.295 -10.609 1.00 2.96 N ATOM 0 H GLN A 103 5.634 -1.226 -6.414 1.00 0.34 H new ATOM 0 HA GLN A 103 3.601 -0.440 -8.269 1.00 0.36 H new ATOM 0 HB2 GLN A 103 4.999 -2.974 -7.454 1.00 0.43 H new ATOM 0 HB3 GLN A 103 3.518 -3.093 -8.384 1.00 0.43 H new ATOM 0 HG2 GLN A 103 5.074 -1.134 -9.699 1.00 1.36 H new ATOM 0 HG3 GLN A 103 6.197 -2.407 -9.262 1.00 1.36 H new ATOM 0 HE21 GLN A 103 5.618 -4.659 -9.866 1.00 2.96 H new ATOM 0 HE22 GLN A 103 4.716 -4.909 -11.364 1.00 2.96 H new ATOM 1375 N ASP A 104 2.778 -2.019 -5.492 1.00 0.30 N ATOM 1376 CA ASP A 104 1.665 -2.383 -4.622 1.00 0.32 C ATOM 1377 C ASP A 104 0.935 -1.136 -4.142 1.00 0.29 C ATOM 1378 O ASP A 104 -0.289 -1.123 -4.051 1.00 0.31 O ATOM 1379 CB ASP A 104 2.159 -3.188 -3.417 1.00 0.48 C ATOM 1380 CG ASP A 104 2.886 -4.457 -3.814 1.00 0.88 C ATOM 1381 OD1 ASP A 104 4.116 -4.408 -4.011 1.00 1.09 O ATOM 1382 OD2 ASP A 104 2.236 -5.517 -3.914 1.00 1.87 O ATOM 0 H ASP A 104 3.699 -2.209 -5.097 1.00 0.30 H new ATOM 0 HA ASP A 104 0.975 -3.000 -5.198 1.00 0.32 H new ATOM 0 HB2 ASP A 104 2.825 -2.566 -2.819 1.00 0.48 H new ATOM 0 HB3 ASP A 104 1.309 -3.445 -2.785 1.00 0.48 H new ATOM 1387 N PHE A 105 1.704 -0.091 -3.845 1.00 0.30 N ATOM 1388 CA PHE A 105 1.152 1.193 -3.413 1.00 0.33 C ATOM 1389 C PHE A 105 0.223 1.759 -4.479 1.00 0.32 C ATOM 1390 O PHE A 105 -0.888 2.199 -4.183 1.00 0.38 O ATOM 1391 CB PHE A 105 2.286 2.183 -3.133 1.00 0.38 C ATOM 1392 CG PHE A 105 2.281 2.751 -1.741 1.00 0.32 C ATOM 1393 CD1 PHE A 105 1.211 3.507 -1.288 1.00 0.36 C ATOM 1394 CD2 PHE A 105 3.357 2.542 -0.891 1.00 0.32 C ATOM 1395 CE1 PHE A 105 1.212 4.038 -0.014 1.00 0.35 C ATOM 1396 CE2 PHE A 105 3.362 3.071 0.386 1.00 0.33 C ATOM 1397 CZ PHE A 105 2.287 3.821 0.823 1.00 0.33 C ATOM 0 H PHE A 105 2.723 -0.109 -3.896 1.00 0.30 H new ATOM 0 HA PHE A 105 0.580 1.035 -2.499 1.00 0.33 H new ATOM 0 HB2 PHE A 105 3.239 1.684 -3.306 1.00 0.38 H new ATOM 0 HB3 PHE A 105 2.221 3.003 -3.848 1.00 0.38 H new ATOM 0 HD1 PHE A 105 0.367 3.682 -1.939 1.00 0.36 H new ATOM 0 HD2 PHE A 105 4.200 1.959 -1.231 1.00 0.32 H new ATOM 0 HE1 PHE A 105 0.371 4.623 0.328 1.00 0.35 H new ATOM 0 HE2 PHE A 105 4.204 2.899 1.040 1.00 0.33 H new ATOM 0 HZ PHE A 105 2.288 4.237 1.820 1.00 0.33 H new ATOM 1407 N ASN A 106 0.687 1.736 -5.725 1.00 0.30 N ATOM 1408 CA ASN A 106 -0.122 2.190 -6.851 1.00 0.34 C ATOM 1409 C ASN A 106 -1.364 1.313 -6.988 1.00 0.32 C ATOM 1410 O ASN A 106 -2.473 1.811 -7.190 1.00 0.38 O ATOM 1411 CB ASN A 106 0.702 2.154 -8.144 1.00 0.36 C ATOM 1412 CG ASN A 106 -0.160 2.154 -9.395 1.00 0.64 C ATOM 1413 OD1 ASN A 106 -0.850 3.128 -9.690 1.00 0.88 O ATOM 1414 ND2 ASN A 106 -0.118 1.065 -10.139 1.00 0.97 N ATOM 0 H ASN A 106 1.618 1.408 -5.980 1.00 0.30 H new ATOM 0 HA ASN A 106 -0.436 3.218 -6.669 1.00 0.34 H new ATOM 0 HB2 ASN A 106 1.368 3.016 -8.168 1.00 0.36 H new ATOM 0 HB3 ASN A 106 1.332 1.264 -8.143 1.00 0.36 H new ATOM 0 HD21 ASN A 106 -0.671 1.010 -10.994 1.00 0.97 H new ATOM 0 HD22 ASN A 106 0.468 0.278 -9.859 1.00 0.97 H new ATOM 1421 N THR A 107 -1.162 0.009 -6.839 1.00 0.29 N ATOM 1422 CA THR A 107 -2.236 -0.968 -6.957 1.00 0.30 C ATOM 1423 C THR A 107 -3.301 -0.770 -5.878 1.00 0.26 C ATOM 1424 O THR A 107 -4.494 -0.896 -6.149 1.00 0.27 O ATOM 1425 CB THR A 107 -1.671 -2.399 -6.878 1.00 0.36 C ATOM 1426 OG1 THR A 107 -0.768 -2.617 -7.970 1.00 0.43 O ATOM 1427 CG2 THR A 107 -2.778 -3.442 -6.912 1.00 0.39 C ATOM 0 H THR A 107 -0.250 -0.400 -6.633 1.00 0.29 H new ATOM 0 HA THR A 107 -2.708 -0.819 -7.928 1.00 0.30 H new ATOM 0 HB THR A 107 -1.144 -2.503 -5.930 1.00 0.36 H new ATOM 0 HG1 THR A 107 0.091 -2.188 -7.775 1.00 0.43 H new ATOM 0 HG21 THR A 107 -2.341 -4.439 -6.854 1.00 0.39 H new ATOM 0 HG22 THR A 107 -3.447 -3.290 -6.065 1.00 0.39 H new ATOM 0 HG23 THR A 107 -3.340 -3.346 -7.841 1.00 0.39 H new ATOM 1435 N MET A 108 -2.864 -0.467 -4.658 1.00 0.26 N ATOM 1436 CA MET A 108 -3.776 -0.189 -3.550 1.00 0.26 C ATOM 1437 C MET A 108 -4.804 0.870 -3.943 1.00 0.24 C ATOM 1438 O MET A 108 -5.996 0.738 -3.654 1.00 0.27 O ATOM 1439 CB MET A 108 -2.975 0.274 -2.325 1.00 0.32 C ATOM 1440 CG MET A 108 -3.733 1.213 -1.395 1.00 0.62 C ATOM 1441 SD MET A 108 -2.664 2.461 -0.653 1.00 0.88 S ATOM 1442 CE MET A 108 -3.878 3.558 0.069 1.00 0.83 C ATOM 0 H MET A 108 -1.876 -0.407 -4.410 1.00 0.26 H new ATOM 0 HA MET A 108 -4.314 -1.104 -3.303 1.00 0.26 H new ATOM 0 HB2 MET A 108 -2.661 -0.603 -1.759 1.00 0.32 H new ATOM 0 HB3 MET A 108 -2.069 0.774 -2.667 1.00 0.32 H new ATOM 0 HG2 MET A 108 -4.529 1.706 -1.952 1.00 0.62 H new ATOM 0 HG3 MET A 108 -4.209 0.631 -0.606 1.00 0.62 H new ATOM 0 HE1 MET A 108 -3.400 4.498 0.345 1.00 0.83 H new ATOM 0 HE2 MET A 108 -4.669 3.752 -0.655 1.00 0.83 H new ATOM 0 HE3 MET A 108 -4.306 3.093 0.957 1.00 0.83 H new ATOM 1452 N PHE A 109 -4.337 1.906 -4.626 1.00 0.22 N ATOM 1453 CA PHE A 109 -5.203 2.997 -5.039 1.00 0.23 C ATOM 1454 C PHE A 109 -6.149 2.553 -6.151 1.00 0.23 C ATOM 1455 O PHE A 109 -7.328 2.902 -6.147 1.00 0.29 O ATOM 1456 CB PHE A 109 -4.368 4.195 -5.498 1.00 0.24 C ATOM 1457 CG PHE A 109 -3.815 5.006 -4.360 1.00 0.22 C ATOM 1458 CD1 PHE A 109 -4.659 5.602 -3.435 1.00 0.24 C ATOM 1459 CD2 PHE A 109 -2.447 5.177 -4.220 1.00 0.22 C ATOM 1460 CE1 PHE A 109 -4.146 6.352 -2.392 1.00 0.24 C ATOM 1461 CE2 PHE A 109 -1.931 5.925 -3.182 1.00 0.22 C ATOM 1462 CZ PHE A 109 -2.803 6.498 -2.244 1.00 0.22 C ATOM 0 H PHE A 109 -3.362 2.012 -4.905 1.00 0.22 H new ATOM 0 HA PHE A 109 -5.805 3.296 -4.181 1.00 0.23 H new ATOM 0 HB2 PHE A 109 -3.543 3.839 -6.115 1.00 0.24 H new ATOM 0 HB3 PHE A 109 -4.983 4.838 -6.128 1.00 0.24 H new ATOM 0 HD1 PHE A 109 -5.728 5.479 -3.530 1.00 0.24 H new ATOM 0 HD2 PHE A 109 -1.777 4.719 -4.932 1.00 0.22 H new ATOM 0 HE1 PHE A 109 -4.817 6.825 -1.690 1.00 0.24 H new ATOM 0 HE2 PHE A 109 -0.864 6.068 -3.092 1.00 0.22 H new ATOM 0 HZ PHE A 109 -2.408 7.054 -1.406 1.00 0.22 H new ATOM 1472 N THR A 110 -5.637 1.764 -7.087 1.00 0.22 N ATOM 1473 CA THR A 110 -6.442 1.295 -8.204 1.00 0.26 C ATOM 1474 C THR A 110 -7.492 0.291 -7.741 1.00 0.25 C ATOM 1475 O THR A 110 -8.633 0.327 -8.190 1.00 0.27 O ATOM 1476 CB THR A 110 -5.568 0.641 -9.283 1.00 0.31 C ATOM 1477 OG1 THR A 110 -4.202 0.613 -8.857 1.00 0.49 O ATOM 1478 CG2 THR A 110 -5.681 1.396 -10.591 1.00 0.66 C ATOM 0 H THR A 110 -4.671 1.437 -7.094 1.00 0.22 H new ATOM 0 HA THR A 110 -6.939 2.168 -8.626 1.00 0.26 H new ATOM 0 HB THR A 110 -5.918 -0.380 -9.437 1.00 0.31 H new ATOM 0 HG1 THR A 110 -3.631 0.343 -9.606 1.00 0.49 H new ATOM 0 HG21 THR A 110 -5.054 0.917 -11.343 1.00 0.66 H new ATOM 0 HG22 THR A 110 -6.718 1.390 -10.926 1.00 0.66 H new ATOM 0 HG23 THR A 110 -5.352 2.425 -10.447 1.00 0.66 H new ATOM 1486 N ASN A 111 -7.080 -0.599 -6.845 1.00 0.24 N ATOM 1487 CA ASN A 111 -7.962 -1.620 -6.268 1.00 0.27 C ATOM 1488 C ASN A 111 -9.272 -1.006 -5.792 1.00 0.26 C ATOM 1489 O ASN A 111 -10.358 -1.442 -6.184 1.00 0.28 O ATOM 1490 CB ASN A 111 -7.274 -2.313 -5.089 1.00 0.33 C ATOM 1491 CG ASN A 111 -6.326 -3.412 -5.518 1.00 1.13 C ATOM 1492 OD1 ASN A 111 -6.334 -3.851 -6.669 1.00 1.84 O ATOM 1493 ND2 ASN A 111 -5.490 -3.859 -4.593 1.00 1.61 N ATOM 0 H ASN A 111 -6.123 -0.637 -6.494 1.00 0.24 H new ATOM 0 HA ASN A 111 -8.177 -2.351 -7.048 1.00 0.27 H new ATOM 0 HB2 ASN A 111 -6.723 -1.571 -4.510 1.00 0.33 H new ATOM 0 HB3 ASN A 111 -8.033 -2.733 -4.429 1.00 0.33 H new ATOM 0 HD21 ASN A 111 -4.821 -4.594 -4.823 1.00 1.61 H new ATOM 0 HD22 ASN A 111 -5.516 -3.469 -3.651 1.00 1.61 H new ATOM 1500 N CYS A 112 -9.157 0.025 -4.964 1.00 0.26 N ATOM 1501 CA CYS A 112 -10.318 0.709 -4.420 1.00 0.30 C ATOM 1502 C CYS A 112 -11.133 1.373 -5.530 1.00 0.31 C ATOM 1503 O CYS A 112 -12.359 1.415 -5.468 1.00 0.35 O ATOM 1504 CB CYS A 112 -9.867 1.746 -3.382 1.00 0.36 C ATOM 1505 SG CYS A 112 -10.959 3.178 -3.215 1.00 0.63 S ATOM 0 H CYS A 112 -8.263 0.406 -4.654 1.00 0.26 H new ATOM 0 HA CYS A 112 -10.960 -0.025 -3.933 1.00 0.30 H new ATOM 0 HB2 CYS A 112 -9.783 1.256 -2.412 1.00 0.36 H new ATOM 0 HB3 CYS A 112 -8.870 2.096 -3.649 1.00 0.36 H new ATOM 0 HG CYS A 112 -10.410 4.052 -2.425 1.00 0.63 H new ATOM 1511 N TYR A 113 -10.447 1.860 -6.557 1.00 0.32 N ATOM 1512 CA TYR A 113 -11.101 2.568 -7.655 1.00 0.36 C ATOM 1513 C TYR A 113 -11.794 1.602 -8.616 1.00 0.41 C ATOM 1514 O TYR A 113 -12.631 2.008 -9.421 1.00 0.52 O ATOM 1515 CB TYR A 113 -10.078 3.411 -8.426 1.00 0.36 C ATOM 1516 CG TYR A 113 -9.536 4.607 -7.664 1.00 0.40 C ATOM 1517 CD1 TYR A 113 -10.131 5.015 -6.476 1.00 0.66 C ATOM 1518 CD2 TYR A 113 -8.432 5.321 -8.119 1.00 0.56 C ATOM 1519 CE1 TYR A 113 -9.646 6.098 -5.767 1.00 0.77 C ATOM 1520 CE2 TYR A 113 -7.943 6.406 -7.415 1.00 0.65 C ATOM 1521 CZ TYR A 113 -8.530 6.814 -6.294 1.00 0.66 C ATOM 1522 OH TYR A 113 -8.059 7.866 -5.536 1.00 0.81 O ATOM 0 H TYR A 113 -9.435 1.778 -6.654 1.00 0.32 H new ATOM 0 HA TYR A 113 -11.860 3.218 -7.219 1.00 0.36 H new ATOM 0 HB2 TYR A 113 -9.243 2.772 -8.712 1.00 0.36 H new ATOM 0 HB3 TYR A 113 -10.540 3.764 -9.348 1.00 0.36 H new ATOM 0 HD1 TYR A 113 -10.988 4.476 -6.100 1.00 0.66 H new ATOM 0 HD2 TYR A 113 -7.949 5.023 -9.038 1.00 0.56 H new ATOM 0 HE1 TYR A 113 -10.102 6.396 -4.834 1.00 0.77 H new ATOM 0 HE2 TYR A 113 -7.072 6.929 -7.781 1.00 0.65 H new ATOM 0 HH TYR A 113 -7.297 8.281 -5.991 1.00 0.81 H new ATOM 1532 N ILE A 114 -11.420 0.331 -8.555 1.00 0.37 N ATOM 1533 CA ILE A 114 -12.013 -0.682 -9.422 1.00 0.43 C ATOM 1534 C ILE A 114 -13.201 -1.362 -8.748 1.00 0.47 C ATOM 1535 O ILE A 114 -14.297 -1.420 -9.313 1.00 0.55 O ATOM 1536 CB ILE A 114 -10.981 -1.753 -9.830 1.00 0.42 C ATOM 1537 CG1 ILE A 114 -9.861 -1.126 -10.664 1.00 0.43 C ATOM 1538 CG2 ILE A 114 -11.653 -2.879 -10.608 1.00 0.47 C ATOM 1539 CD1 ILE A 114 -8.606 -1.971 -10.729 1.00 0.44 C ATOM 0 H ILE A 114 -10.709 -0.024 -7.915 1.00 0.37 H new ATOM 0 HA ILE A 114 -12.358 -0.164 -10.317 1.00 0.43 H new ATOM 0 HB ILE A 114 -10.547 -2.173 -8.923 1.00 0.42 H new ATOM 0 HG12 ILE A 114 -10.226 -0.955 -11.677 1.00 0.43 H new ATOM 0 HG13 ILE A 114 -9.611 -0.151 -10.246 1.00 0.43 H new ATOM 0 HG21 ILE A 114 -10.908 -3.624 -10.886 1.00 0.47 H new ATOM 0 HG22 ILE A 114 -12.417 -3.345 -9.986 1.00 0.47 H new ATOM 0 HG23 ILE A 114 -12.115 -2.474 -11.508 1.00 0.47 H new ATOM 0 HD11 ILE A 114 -7.857 -1.463 -11.336 1.00 0.44 H new ATOM 0 HD12 ILE A 114 -8.216 -2.121 -9.722 1.00 0.44 H new ATOM 0 HD13 ILE A 114 -8.841 -2.937 -11.175 1.00 0.44 H new ATOM 1551 N TYR A 115 -12.978 -1.882 -7.546 1.00 0.44 N ATOM 1552 CA TYR A 115 -14.016 -2.613 -6.832 1.00 0.51 C ATOM 1553 C TYR A 115 -15.134 -1.670 -6.401 1.00 0.52 C ATOM 1554 O TYR A 115 -16.314 -2.027 -6.447 1.00 0.78 O ATOM 1555 CB TYR A 115 -13.432 -3.336 -5.612 1.00 0.54 C ATOM 1556 CG TYR A 115 -14.377 -4.352 -4.997 1.00 0.68 C ATOM 1557 CD1 TYR A 115 -14.491 -5.637 -5.521 1.00 0.77 C ATOM 1558 CD2 TYR A 115 -15.160 -4.024 -3.895 1.00 0.87 C ATOM 1559 CE1 TYR A 115 -15.358 -6.562 -4.965 1.00 0.94 C ATOM 1560 CE2 TYR A 115 -16.027 -4.945 -3.336 1.00 1.03 C ATOM 1561 CZ TYR A 115 -16.123 -6.212 -3.874 1.00 1.04 C ATOM 1562 OH TYR A 115 -16.989 -7.129 -3.317 1.00 1.22 O ATOM 0 H TYR A 115 -12.091 -1.811 -7.048 1.00 0.44 H new ATOM 0 HA TYR A 115 -14.431 -3.360 -7.509 1.00 0.51 H new ATOM 0 HB2 TYR A 115 -12.511 -3.840 -5.905 1.00 0.54 H new ATOM 0 HB3 TYR A 115 -13.164 -2.597 -4.856 1.00 0.54 H new ATOM 0 HD1 TYR A 115 -13.893 -5.917 -6.376 1.00 0.77 H new ATOM 0 HD2 TYR A 115 -15.090 -3.034 -3.469 1.00 0.87 H new ATOM 0 HE1 TYR A 115 -15.434 -7.554 -5.385 1.00 0.94 H new ATOM 0 HE2 TYR A 115 -16.627 -4.673 -2.480 1.00 1.03 H new ATOM 0 HH TYR A 115 -16.949 -7.966 -3.824 1.00 1.22 H new ATOM 1572 N ASN A 116 -14.758 -0.467 -6.001 1.00 0.40 N ATOM 1573 CA ASN A 116 -15.723 0.533 -5.568 1.00 0.41 C ATOM 1574 C ASN A 116 -15.820 1.632 -6.608 1.00 0.45 C ATOM 1575 O ASN A 116 -14.815 2.030 -7.197 1.00 0.64 O ATOM 1576 CB ASN A 116 -15.332 1.134 -4.214 1.00 0.44 C ATOM 1577 CG ASN A 116 -14.755 0.114 -3.252 1.00 0.49 C ATOM 1578 OD1 ASN A 116 -15.486 -0.643 -2.612 1.00 1.04 O ATOM 1579 ND2 ASN A 116 -13.437 0.092 -3.140 1.00 0.88 N ATOM 0 H ASN A 116 -13.787 -0.157 -5.967 1.00 0.40 H new ATOM 0 HA ASN A 116 -16.691 0.045 -5.455 1.00 0.41 H new ATOM 0 HB2 ASN A 116 -14.602 1.927 -4.373 1.00 0.44 H new ATOM 0 HB3 ASN A 116 -16.210 1.595 -3.761 1.00 0.44 H new ATOM 0 HD21 ASN A 116 -12.990 -0.569 -2.505 1.00 0.88 H new ATOM 0 HD22 ASN A 116 -12.868 0.736 -3.689 1.00 0.88 H new ATOM 1586 N LYS A 117 -17.028 2.116 -6.842 1.00 0.48 N ATOM 1587 CA LYS A 117 -17.242 3.167 -7.820 1.00 0.53 C ATOM 1588 C LYS A 117 -16.619 4.478 -7.342 1.00 0.52 C ATOM 1589 O LYS A 117 -16.602 4.755 -6.142 1.00 0.55 O ATOM 1590 CB LYS A 117 -18.737 3.351 -8.085 1.00 0.65 C ATOM 1591 CG LYS A 117 -19.150 2.949 -9.492 1.00 1.20 C ATOM 1592 CD LYS A 117 -18.908 1.468 -9.748 1.00 1.82 C ATOM 1593 CE LYS A 117 -19.957 0.876 -10.680 1.00 2.62 C ATOM 1594 NZ LYS A 117 -21.322 1.385 -10.385 1.00 3.47 N ATOM 0 H LYS A 117 -17.874 1.798 -6.369 1.00 0.48 H new ATOM 0 HA LYS A 117 -16.758 2.876 -8.752 1.00 0.53 H new ATOM 0 HB2 LYS A 117 -19.303 2.760 -7.365 1.00 0.65 H new ATOM 0 HB3 LYS A 117 -19.003 4.395 -7.920 1.00 0.65 H new ATOM 0 HG2 LYS A 117 -20.206 3.176 -9.640 1.00 1.20 H new ATOM 0 HG3 LYS A 117 -18.592 3.540 -10.218 1.00 1.20 H new ATOM 0 HD2 LYS A 117 -17.918 1.331 -10.182 1.00 1.82 H new ATOM 0 HD3 LYS A 117 -18.918 0.929 -8.801 1.00 1.82 H new ATOM 0 HE2 LYS A 117 -19.698 1.112 -11.712 1.00 2.62 H new ATOM 0 HE3 LYS A 117 -19.949 -0.210 -10.590 1.00 2.62 H new ATOM 0 HZ1 LYS A 117 -22.026 0.672 -10.664 1.00 3.47 H new ATOM 0 HZ2 LYS A 117 -21.408 1.577 -9.367 1.00 3.47 H new ATOM 0 HZ3 LYS A 117 -21.488 2.262 -10.918 1.00 3.47 H new ATOM 1608 N PRO A 118 -16.101 5.300 -8.276 1.00 0.59 N ATOM 1609 CA PRO A 118 -15.425 6.567 -7.950 1.00 0.68 C ATOM 1610 C PRO A 118 -16.309 7.550 -7.184 1.00 0.70 C ATOM 1611 O PRO A 118 -15.828 8.556 -6.661 1.00 0.81 O ATOM 1612 CB PRO A 118 -15.055 7.148 -9.315 1.00 0.79 C ATOM 1613 CG PRO A 118 -15.087 6.004 -10.263 1.00 0.96 C ATOM 1614 CD PRO A 118 -16.118 5.050 -9.731 1.00 0.68 C ATOM 0 HA PRO A 118 -14.573 6.392 -7.293 1.00 0.68 H new ATOM 0 HB2 PRO A 118 -15.760 7.924 -9.614 1.00 0.79 H new ATOM 0 HB3 PRO A 118 -14.067 7.608 -9.290 1.00 0.79 H new ATOM 0 HG2 PRO A 118 -15.347 6.338 -11.268 1.00 0.96 H new ATOM 0 HG3 PRO A 118 -14.110 5.525 -10.329 1.00 0.96 H new ATOM 0 HD2 PRO A 118 -17.102 5.242 -10.160 1.00 0.68 H new ATOM 0 HD3 PRO A 118 -15.865 4.015 -9.963 1.00 0.68 H new ATOM 1622 N THR A 119 -17.597 7.264 -7.131 1.00 0.67 N ATOM 1623 CA THR A 119 -18.546 8.099 -6.417 1.00 0.77 C ATOM 1624 C THR A 119 -18.587 7.759 -4.926 1.00 0.69 C ATOM 1625 O THR A 119 -19.225 8.461 -4.139 1.00 0.78 O ATOM 1626 CB THR A 119 -19.953 7.919 -7.008 1.00 0.97 C ATOM 1627 OG1 THR A 119 -19.931 6.861 -7.979 1.00 0.98 O ATOM 1628 CG2 THR A 119 -20.443 9.205 -7.657 1.00 1.23 C ATOM 0 H THR A 119 -18.014 6.449 -7.580 1.00 0.67 H new ATOM 0 HA THR A 119 -18.220 9.133 -6.528 1.00 0.77 H new ATOM 0 HB THR A 119 -20.639 7.665 -6.200 1.00 0.97 H new ATOM 0 HG1 THR A 119 -20.828 6.744 -8.356 1.00 0.98 H new ATOM 0 HG21 THR A 119 -21.441 9.049 -8.067 1.00 1.23 H new ATOM 0 HG22 THR A 119 -20.477 9.999 -6.911 1.00 1.23 H new ATOM 0 HG23 THR A 119 -19.762 9.490 -8.459 1.00 1.23 H new ATOM 1636 N ASP A 120 -17.900 6.688 -4.539 1.00 0.59 N ATOM 1637 CA ASP A 120 -17.969 6.199 -3.166 1.00 0.59 C ATOM 1638 C ASP A 120 -17.044 6.971 -2.238 1.00 0.47 C ATOM 1639 O ASP A 120 -16.198 7.752 -2.676 1.00 0.39 O ATOM 1640 CB ASP A 120 -17.642 4.705 -3.090 1.00 0.63 C ATOM 1641 CG ASP A 120 -18.383 4.016 -1.959 1.00 0.94 C ATOM 1642 OD1 ASP A 120 -17.939 4.132 -0.800 1.00 1.34 O ATOM 1643 OD2 ASP A 120 -19.401 3.339 -2.230 1.00 1.19 O ATOM 0 H ASP A 120 -17.293 6.145 -5.153 1.00 0.59 H new ATOM 0 HA ASP A 120 -18.995 6.356 -2.834 1.00 0.59 H new ATOM 0 HB2 ASP A 120 -17.901 4.229 -4.036 1.00 0.63 H new ATOM 0 HB3 ASP A 120 -16.569 4.576 -2.952 1.00 0.63 H new ATOM 1648 N ASP A 121 -17.202 6.697 -0.954 1.00 0.52 N ATOM 1649 CA ASP A 121 -16.506 7.410 0.104 1.00 0.51 C ATOM 1650 C ASP A 121 -15.058 6.951 0.203 1.00 0.39 C ATOM 1651 O ASP A 121 -14.148 7.765 0.367 1.00 0.39 O ATOM 1652 CB ASP A 121 -17.222 7.155 1.428 1.00 0.70 C ATOM 1653 CG ASP A 121 -17.080 8.286 2.429 1.00 0.91 C ATOM 1654 OD1 ASP A 121 -16.711 9.405 2.032 1.00 1.18 O ATOM 1655 OD2 ASP A 121 -17.363 8.047 3.624 1.00 1.44 O ATOM 0 H ASP A 121 -17.825 5.965 -0.613 1.00 0.52 H new ATOM 0 HA ASP A 121 -16.510 8.476 -0.123 1.00 0.51 H new ATOM 0 HB2 ASP A 121 -18.281 6.987 1.231 1.00 0.70 H new ATOM 0 HB3 ASP A 121 -16.831 6.239 1.871 1.00 0.70 H new ATOM 1660 N ILE A 122 -14.843 5.640 0.086 1.00 0.34 N ATOM 1661 CA ILE A 122 -13.492 5.087 0.150 1.00 0.27 C ATOM 1662 C ILE A 122 -12.647 5.636 -0.997 1.00 0.25 C ATOM 1663 O ILE A 122 -11.457 5.904 -0.835 1.00 0.29 O ATOM 1664 CB ILE A 122 -13.484 3.533 0.131 1.00 0.31 C ATOM 1665 CG1 ILE A 122 -12.045 2.994 0.063 1.00 0.35 C ATOM 1666 CG2 ILE A 122 -14.312 2.999 -1.031 1.00 0.41 C ATOM 1667 CD1 ILE A 122 -11.337 2.958 1.405 1.00 0.42 C ATOM 0 H ILE A 122 -15.580 4.948 -0.052 1.00 0.34 H new ATOM 0 HA ILE A 122 -13.060 5.396 1.102 1.00 0.27 H new ATOM 0 HB ILE A 122 -13.936 3.184 1.059 1.00 0.31 H new ATOM 0 HG12 ILE A 122 -12.064 1.987 -0.354 1.00 0.35 H new ATOM 0 HG13 ILE A 122 -11.468 3.612 -0.625 1.00 0.35 H new ATOM 0 HG21 ILE A 122 -14.291 1.909 -1.022 1.00 0.41 H new ATOM 0 HG22 ILE A 122 -15.342 3.343 -0.932 1.00 0.41 H new ATOM 0 HG23 ILE A 122 -13.897 3.363 -1.971 1.00 0.41 H new ATOM 0 HD11 ILE A 122 -10.328 2.566 1.274 1.00 0.42 H new ATOM 0 HD12 ILE A 122 -11.284 3.966 1.816 1.00 0.42 H new ATOM 0 HD13 ILE A 122 -11.889 2.316 2.091 1.00 0.42 H new ATOM 1679 N VAL A 123 -13.281 5.834 -2.148 1.00 0.24 N ATOM 1680 CA VAL A 123 -12.602 6.409 -3.297 1.00 0.25 C ATOM 1681 C VAL A 123 -12.294 7.876 -3.040 1.00 0.24 C ATOM 1682 O VAL A 123 -11.167 8.333 -3.239 1.00 0.26 O ATOM 1683 CB VAL A 123 -13.454 6.300 -4.577 1.00 0.28 C ATOM 1684 CG1 VAL A 123 -12.959 7.289 -5.619 1.00 0.35 C ATOM 1685 CG2 VAL A 123 -13.430 4.880 -5.118 1.00 0.32 C ATOM 0 H VAL A 123 -14.262 5.604 -2.307 1.00 0.24 H new ATOM 0 HA VAL A 123 -11.680 5.847 -3.443 1.00 0.25 H new ATOM 0 HB VAL A 123 -14.487 6.546 -4.333 1.00 0.28 H new ATOM 0 HG11 VAL A 123 -13.567 7.204 -6.519 1.00 0.35 H new ATOM 0 HG12 VAL A 123 -13.035 8.302 -5.224 1.00 0.35 H new ATOM 0 HG13 VAL A 123 -11.919 7.071 -5.862 1.00 0.35 H new ATOM 0 HG21 VAL A 123 -14.037 4.825 -6.021 1.00 0.32 H new ATOM 0 HG22 VAL A 123 -12.404 4.597 -5.353 1.00 0.32 H new ATOM 0 HG23 VAL A 123 -13.832 4.198 -4.368 1.00 0.32 H new ATOM 1695 N LEU A 124 -13.313 8.600 -2.597 1.00 0.27 N ATOM 1696 CA LEU A 124 -13.198 10.027 -2.345 1.00 0.31 C ATOM 1697 C LEU A 124 -12.068 10.316 -1.370 1.00 0.29 C ATOM 1698 O LEU A 124 -11.318 11.279 -1.538 1.00 0.36 O ATOM 1699 CB LEU A 124 -14.513 10.571 -1.792 1.00 0.37 C ATOM 1700 CG LEU A 124 -15.248 11.544 -2.713 1.00 0.44 C ATOM 1701 CD1 LEU A 124 -16.703 11.679 -2.295 1.00 0.52 C ATOM 1702 CD2 LEU A 124 -14.560 12.898 -2.708 1.00 0.49 C ATOM 0 H LEU A 124 -14.238 8.215 -2.403 1.00 0.27 H new ATOM 0 HA LEU A 124 -12.974 10.522 -3.290 1.00 0.31 H new ATOM 0 HB2 LEU A 124 -15.173 9.731 -1.574 1.00 0.37 H new ATOM 0 HB3 LEU A 124 -14.312 11.072 -0.845 1.00 0.37 H new ATOM 0 HG LEU A 124 -15.221 11.148 -3.728 1.00 0.44 H new ATOM 0 HD11 LEU A 124 -17.210 12.376 -2.962 1.00 0.52 H new ATOM 0 HD12 LEU A 124 -17.189 10.705 -2.350 1.00 0.52 H new ATOM 0 HD13 LEU A 124 -16.755 12.053 -1.273 1.00 0.52 H new ATOM 0 HD21 LEU A 124 -15.095 13.580 -3.369 1.00 0.49 H new ATOM 0 HD22 LEU A 124 -14.557 13.301 -1.695 1.00 0.49 H new ATOM 0 HD23 LEU A 124 -13.533 12.786 -3.057 1.00 0.49 H new ATOM 1714 N MET A 125 -11.942 9.475 -0.358 1.00 0.25 N ATOM 1715 CA MET A 125 -10.896 9.650 0.630 1.00 0.26 C ATOM 1716 C MET A 125 -9.539 9.222 0.079 1.00 0.24 C ATOM 1717 O MET A 125 -8.528 9.875 0.331 1.00 0.25 O ATOM 1718 CB MET A 125 -11.242 8.903 1.922 1.00 0.35 C ATOM 1719 CG MET A 125 -10.803 7.448 1.969 1.00 0.62 C ATOM 1720 SD MET A 125 -11.944 6.391 2.896 1.00 0.54 S ATOM 1721 CE MET A 125 -12.671 7.561 4.044 1.00 0.62 C ATOM 0 H MET A 125 -12.548 8.670 -0.201 1.00 0.25 H new ATOM 0 HA MET A 125 -10.827 10.711 0.868 1.00 0.26 H new ATOM 0 HB2 MET A 125 -10.786 9.430 2.760 1.00 0.35 H new ATOM 0 HB3 MET A 125 -12.321 8.945 2.068 1.00 0.35 H new ATOM 0 HG2 MET A 125 -10.712 7.069 0.951 1.00 0.62 H new ATOM 0 HG3 MET A 125 -9.813 7.388 2.421 1.00 0.62 H new ATOM 0 HE1 MET A 125 -13.167 7.020 4.850 1.00 0.62 H new ATOM 0 HE2 MET A 125 -11.889 8.196 4.460 1.00 0.62 H new ATOM 0 HE3 MET A 125 -13.400 8.179 3.520 1.00 0.62 H new ATOM 1731 N ALA A 126 -9.530 8.145 -0.695 1.00 0.25 N ATOM 1732 CA ALA A 126 -8.309 7.657 -1.337 1.00 0.27 C ATOM 1733 C ALA A 126 -7.719 8.713 -2.272 1.00 0.25 C ATOM 1734 O ALA A 126 -6.509 8.758 -2.486 1.00 0.25 O ATOM 1735 CB ALA A 126 -8.588 6.374 -2.105 1.00 0.31 C ATOM 0 H ALA A 126 -10.359 7.587 -0.897 1.00 0.25 H new ATOM 0 HA ALA A 126 -7.579 7.448 -0.555 1.00 0.27 H new ATOM 0 HB1 ALA A 126 -7.669 6.025 -2.576 1.00 0.31 H new ATOM 0 HB2 ALA A 126 -8.956 5.612 -1.418 1.00 0.31 H new ATOM 0 HB3 ALA A 126 -9.339 6.565 -2.872 1.00 0.31 H new ATOM 1741 N GLN A 127 -8.581 9.559 -2.820 1.00 0.27 N ATOM 1742 CA GLN A 127 -8.146 10.645 -3.692 1.00 0.30 C ATOM 1743 C GLN A 127 -7.255 11.627 -2.933 1.00 0.28 C ATOM 1744 O GLN A 127 -6.277 12.143 -3.476 1.00 0.31 O ATOM 1745 CB GLN A 127 -9.356 11.380 -4.266 1.00 0.38 C ATOM 1746 CG GLN A 127 -9.212 11.730 -5.737 1.00 0.86 C ATOM 1747 CD GLN A 127 -10.216 11.011 -6.617 1.00 1.30 C ATOM 1748 OE1 GLN A 127 -10.876 11.628 -7.451 1.00 1.94 O ATOM 1749 NE2 GLN A 127 -10.331 9.705 -6.446 1.00 1.62 N ATOM 0 H GLN A 127 -9.590 9.515 -2.676 1.00 0.27 H new ATOM 0 HA GLN A 127 -7.569 10.213 -4.510 1.00 0.30 H new ATOM 0 HB2 GLN A 127 -10.243 10.761 -4.133 1.00 0.38 H new ATOM 0 HB3 GLN A 127 -9.518 12.296 -3.697 1.00 0.38 H new ATOM 0 HG2 GLN A 127 -9.332 12.806 -5.862 1.00 0.86 H new ATOM 0 HG3 GLN A 127 -8.203 11.481 -6.067 1.00 0.86 H new ATOM 0 HE21 GLN A 127 -9.765 9.231 -5.743 1.00 1.62 H new ATOM 0 HE22 GLN A 127 -10.986 9.172 -7.017 1.00 1.62 H new ATOM 1758 N ALA A 128 -7.604 11.882 -1.678 1.00 0.27 N ATOM 1759 CA ALA A 128 -6.812 12.754 -0.822 1.00 0.28 C ATOM 1760 C ALA A 128 -5.531 12.046 -0.392 1.00 0.24 C ATOM 1761 O ALA A 128 -4.465 12.659 -0.303 1.00 0.27 O ATOM 1762 CB ALA A 128 -7.622 13.179 0.396 1.00 0.32 C ATOM 0 H ALA A 128 -8.434 11.495 -1.230 1.00 0.27 H new ATOM 0 HA ALA A 128 -6.543 13.648 -1.385 1.00 0.28 H new ATOM 0 HB1 ALA A 128 -7.017 13.830 1.026 1.00 0.32 H new ATOM 0 HB2 ALA A 128 -8.514 13.715 0.071 1.00 0.32 H new ATOM 0 HB3 ALA A 128 -7.916 12.296 0.964 1.00 0.32 H new ATOM 1768 N LEU A 129 -5.652 10.747 -0.138 1.00 0.19 N ATOM 1769 CA LEU A 129 -4.512 9.906 0.223 1.00 0.17 C ATOM 1770 C LEU A 129 -3.451 9.952 -0.879 1.00 0.17 C ATOM 1771 O LEU A 129 -2.255 10.103 -0.615 1.00 0.19 O ATOM 1772 CB LEU A 129 -4.976 8.453 0.416 1.00 0.16 C ATOM 1773 CG LEU A 129 -5.429 8.047 1.828 1.00 0.18 C ATOM 1774 CD1 LEU A 129 -6.413 9.049 2.401 1.00 0.22 C ATOM 1775 CD2 LEU A 129 -6.051 6.659 1.792 1.00 0.33 C ATOM 0 H LEU A 129 -6.540 10.247 -0.176 1.00 0.19 H new ATOM 0 HA LEU A 129 -4.083 10.281 1.152 1.00 0.17 H new ATOM 0 HB2 LEU A 129 -5.801 8.267 -0.271 1.00 0.16 H new ATOM 0 HB3 LEU A 129 -4.160 7.794 0.120 1.00 0.16 H new ATOM 0 HG LEU A 129 -4.553 8.033 2.476 1.00 0.18 H new ATOM 0 HD11 LEU A 129 -6.714 8.733 3.400 1.00 0.22 H new ATOM 0 HD12 LEU A 129 -5.942 10.030 2.457 1.00 0.22 H new ATOM 0 HD13 LEU A 129 -7.291 9.105 1.758 1.00 0.22 H new ATOM 0 HD21 LEU A 129 -6.370 6.377 2.795 1.00 0.33 H new ATOM 0 HD22 LEU A 129 -6.913 6.664 1.125 1.00 0.33 H new ATOM 0 HD23 LEU A 129 -5.316 5.940 1.430 1.00 0.33 H new ATOM 1787 N GLU A 130 -3.919 9.841 -2.115 1.00 0.19 N ATOM 1788 CA GLU A 130 -3.050 9.779 -3.284 1.00 0.22 C ATOM 1789 C GLU A 130 -2.175 11.024 -3.408 1.00 0.20 C ATOM 1790 O GLU A 130 -1.047 10.952 -3.895 1.00 0.20 O ATOM 1791 CB GLU A 130 -3.906 9.605 -4.547 1.00 0.34 C ATOM 1792 CG GLU A 130 -3.117 9.657 -5.848 1.00 0.76 C ATOM 1793 CD GLU A 130 -3.841 10.414 -6.945 1.00 0.92 C ATOM 1794 OE1 GLU A 130 -4.390 11.507 -6.668 1.00 1.27 O ATOM 1795 OE2 GLU A 130 -3.858 9.929 -8.097 1.00 1.47 O ATOM 0 H GLU A 130 -4.913 9.791 -2.336 1.00 0.19 H new ATOM 0 HA GLU A 130 -2.384 8.924 -3.167 1.00 0.22 H new ATOM 0 HB2 GLU A 130 -4.428 8.650 -4.490 1.00 0.34 H new ATOM 0 HB3 GLU A 130 -4.668 10.384 -4.566 1.00 0.34 H new ATOM 0 HG2 GLU A 130 -2.152 10.129 -5.664 1.00 0.76 H new ATOM 0 HG3 GLU A 130 -2.916 8.641 -6.186 1.00 0.76 H new ATOM 1802 N LYS A 131 -2.683 12.155 -2.939 1.00 0.24 N ATOM 1803 CA LYS A 131 -1.988 13.422 -3.098 1.00 0.28 C ATOM 1804 C LYS A 131 -0.686 13.415 -2.317 1.00 0.25 C ATOM 1805 O LYS A 131 0.358 13.779 -2.846 1.00 0.28 O ATOM 1806 CB LYS A 131 -2.877 14.586 -2.651 1.00 0.37 C ATOM 1807 CG LYS A 131 -3.466 15.394 -3.804 1.00 0.80 C ATOM 1808 CD LYS A 131 -3.678 14.538 -5.046 1.00 1.18 C ATOM 1809 CE LYS A 131 -5.015 14.824 -5.714 1.00 1.56 C ATOM 1810 NZ LYS A 131 -5.863 13.605 -5.794 1.00 2.24 N ATOM 0 H LYS A 131 -3.573 12.220 -2.446 1.00 0.24 H new ATOM 0 HA LYS A 131 -1.756 13.556 -4.155 1.00 0.28 H new ATOM 0 HB2 LYS A 131 -3.692 14.195 -2.041 1.00 0.37 H new ATOM 0 HB3 LYS A 131 -2.294 15.252 -2.015 1.00 0.37 H new ATOM 0 HG2 LYS A 131 -4.417 15.828 -3.495 1.00 0.80 H new ATOM 0 HG3 LYS A 131 -2.800 16.223 -4.044 1.00 0.80 H new ATOM 0 HD2 LYS A 131 -2.871 14.723 -5.756 1.00 1.18 H new ATOM 0 HD3 LYS A 131 -3.627 13.484 -4.773 1.00 1.18 H new ATOM 0 HE2 LYS A 131 -5.542 15.598 -5.156 1.00 1.56 H new ATOM 0 HE3 LYS A 131 -4.844 15.215 -6.717 1.00 1.56 H new ATOM 0 HZ1 LYS A 131 -6.744 13.827 -6.300 1.00 2.24 H new ATOM 0 HZ2 LYS A 131 -5.350 12.858 -6.304 1.00 2.24 H new ATOM 0 HZ3 LYS A 131 -6.089 13.276 -4.834 1.00 2.24 H new ATOM 1824 N ILE A 132 -0.745 12.964 -1.069 1.00 0.28 N ATOM 1825 CA ILE A 132 0.447 12.911 -0.233 1.00 0.33 C ATOM 1826 C ILE A 132 1.359 11.769 -0.665 1.00 0.26 C ATOM 1827 O ILE A 132 2.559 11.783 -0.382 1.00 0.29 O ATOM 1828 CB ILE A 132 0.127 12.761 1.269 1.00 0.49 C ATOM 1829 CG1 ILE A 132 -1.365 12.523 1.499 1.00 0.46 C ATOM 1830 CG2 ILE A 132 0.593 13.998 2.025 1.00 1.23 C ATOM 1831 CD1 ILE A 132 -1.697 12.097 2.911 1.00 0.59 C ATOM 0 H ILE A 132 -1.598 12.633 -0.618 1.00 0.28 H new ATOM 0 HA ILE A 132 0.951 13.868 -0.370 1.00 0.33 H new ATOM 0 HB ILE A 132 0.662 11.890 1.646 1.00 0.49 H new ATOM 0 HG12 ILE A 132 -1.911 13.437 1.266 1.00 0.46 H new ATOM 0 HG13 ILE A 132 -1.714 11.758 0.806 1.00 0.46 H new ATOM 0 HG21 ILE A 132 0.364 13.885 3.085 1.00 1.23 H new ATOM 0 HG22 ILE A 132 1.669 14.119 1.897 1.00 1.23 H new ATOM 0 HG23 ILE A 132 0.081 14.877 1.635 1.00 1.23 H new ATOM 0 HD11 ILE A 132 -2.773 11.946 3.002 1.00 0.59 H new ATOM 0 HD12 ILE A 132 -1.179 11.166 3.141 1.00 0.59 H new ATOM 0 HD13 ILE A 132 -1.379 12.871 3.609 1.00 0.59 H new ATOM 1843 N PHE A 133 0.787 10.785 -1.351 1.00 0.25 N ATOM 1844 CA PHE A 133 1.558 9.672 -1.874 1.00 0.28 C ATOM 1845 C PHE A 133 2.538 10.160 -2.937 1.00 0.26 C ATOM 1846 O PHE A 133 3.753 10.077 -2.753 1.00 0.28 O ATOM 1847 CB PHE A 133 0.629 8.606 -2.462 1.00 0.34 C ATOM 1848 CG PHE A 133 1.366 7.523 -3.192 1.00 0.36 C ATOM 1849 CD1 PHE A 133 2.342 6.783 -2.546 1.00 0.36 C ATOM 1850 CD2 PHE A 133 1.099 7.259 -4.525 1.00 0.42 C ATOM 1851 CE1 PHE A 133 3.038 5.801 -3.216 1.00 0.39 C ATOM 1852 CE2 PHE A 133 1.790 6.273 -5.199 1.00 0.46 C ATOM 1853 CZ PHE A 133 2.762 5.545 -4.543 1.00 0.44 C ATOM 0 H PHE A 133 -0.211 10.739 -1.556 1.00 0.25 H new ATOM 0 HA PHE A 133 2.122 9.227 -1.054 1.00 0.28 H new ATOM 0 HB2 PHE A 133 0.042 8.160 -1.659 1.00 0.34 H new ATOM 0 HB3 PHE A 133 -0.075 9.082 -3.144 1.00 0.34 H new ATOM 0 HD1 PHE A 133 2.560 6.978 -1.506 1.00 0.36 H new ATOM 0 HD2 PHE A 133 0.342 7.831 -5.042 1.00 0.42 H new ATOM 0 HE1 PHE A 133 3.799 5.232 -2.703 1.00 0.39 H new ATOM 0 HE2 PHE A 133 1.571 6.071 -6.237 1.00 0.46 H new ATOM 0 HZ PHE A 133 3.307 4.775 -5.069 1.00 0.44 H new ATOM 1863 N LEU A 134 2.010 10.714 -4.026 1.00 0.27 N ATOM 1864 CA LEU A 134 2.851 11.171 -5.127 1.00 0.34 C ATOM 1865 C LEU A 134 3.707 12.351 -4.685 1.00 0.34 C ATOM 1866 O LEU A 134 4.800 12.574 -5.208 1.00 0.43 O ATOM 1867 CB LEU A 134 2.007 11.552 -6.352 1.00 0.42 C ATOM 1868 CG LEU A 134 0.844 12.516 -6.090 1.00 0.47 C ATOM 1869 CD1 LEU A 134 1.220 13.935 -6.489 1.00 0.64 C ATOM 1870 CD2 LEU A 134 -0.394 12.066 -6.849 1.00 0.59 C ATOM 0 H LEU A 134 1.010 10.856 -4.168 1.00 0.27 H new ATOM 0 HA LEU A 134 3.506 10.348 -5.414 1.00 0.34 H new ATOM 0 HB2 LEU A 134 2.664 12.000 -7.097 1.00 0.42 H new ATOM 0 HB3 LEU A 134 1.605 10.639 -6.790 1.00 0.42 H new ATOM 0 HG LEU A 134 0.625 12.507 -5.022 1.00 0.47 H new ATOM 0 HD11 LEU A 134 0.380 14.602 -6.295 1.00 0.64 H new ATOM 0 HD12 LEU A 134 2.083 14.260 -5.908 1.00 0.64 H new ATOM 0 HD13 LEU A 134 1.466 13.961 -7.551 1.00 0.64 H new ATOM 0 HD21 LEU A 134 -1.212 12.759 -6.654 1.00 0.59 H new ATOM 0 HD22 LEU A 134 -0.180 12.049 -7.918 1.00 0.59 H new ATOM 0 HD23 LEU A 134 -0.679 11.067 -6.520 1.00 0.59 H new ATOM 1882 N GLN A 135 3.202 13.085 -3.702 1.00 0.29 N ATOM 1883 CA GLN A 135 3.901 14.229 -3.143 1.00 0.35 C ATOM 1884 C GLN A 135 5.266 13.825 -2.602 1.00 0.36 C ATOM 1885 O GLN A 135 6.273 14.460 -2.903 1.00 0.55 O ATOM 1886 CB GLN A 135 3.066 14.844 -2.022 1.00 0.37 C ATOM 1887 CG GLN A 135 2.685 16.290 -2.267 1.00 0.51 C ATOM 1888 CD GLN A 135 3.048 17.191 -1.104 1.00 1.06 C ATOM 1889 OE1 GLN A 135 3.451 16.723 -0.038 1.00 1.43 O ATOM 1890 NE2 GLN A 135 2.895 18.488 -1.294 1.00 1.61 N ATOM 0 H GLN A 135 2.296 12.902 -3.271 1.00 0.29 H new ATOM 0 HA GLN A 135 4.049 14.961 -3.937 1.00 0.35 H new ATOM 0 HB2 GLN A 135 2.158 14.255 -1.893 1.00 0.37 H new ATOM 0 HB3 GLN A 135 3.624 14.778 -1.088 1.00 0.37 H new ATOM 0 HG2 GLN A 135 3.184 16.646 -3.168 1.00 0.51 H new ATOM 0 HG3 GLN A 135 1.612 16.354 -2.451 1.00 0.51 H new ATOM 0 HE21 GLN A 135 2.559 18.836 -2.192 1.00 1.61 H new ATOM 0 HE22 GLN A 135 3.113 19.143 -0.543 1.00 1.61 H new ATOM 1899 N LYS A 136 5.291 12.754 -1.820 1.00 0.25 N ATOM 1900 CA LYS A 136 6.519 12.283 -1.198 1.00 0.26 C ATOM 1901 C LYS A 136 7.326 11.425 -2.166 1.00 0.23 C ATOM 1902 O LYS A 136 8.544 11.306 -2.038 1.00 0.25 O ATOM 1903 CB LYS A 136 6.197 11.491 0.068 1.00 0.32 C ATOM 1904 CG LYS A 136 6.386 12.288 1.350 1.00 0.54 C ATOM 1905 CD LYS A 136 5.098 12.966 1.786 1.00 0.50 C ATOM 1906 CE LYS A 136 5.364 14.335 2.394 1.00 0.63 C ATOM 1907 NZ LYS A 136 6.169 14.248 3.642 1.00 1.52 N ATOM 0 H LYS A 136 4.468 12.192 -1.601 1.00 0.25 H new ATOM 0 HA LYS A 136 7.121 13.151 -0.930 1.00 0.26 H new ATOM 0 HB2 LYS A 136 5.166 11.142 0.016 1.00 0.32 H new ATOM 0 HB3 LYS A 136 6.832 10.605 0.104 1.00 0.32 H new ATOM 0 HG2 LYS A 136 6.735 11.625 2.142 1.00 0.54 H new ATOM 0 HG3 LYS A 136 7.160 13.040 1.200 1.00 0.54 H new ATOM 0 HD2 LYS A 136 4.433 13.071 0.929 1.00 0.50 H new ATOM 0 HD3 LYS A 136 4.584 12.338 2.513 1.00 0.50 H new ATOM 0 HE2 LYS A 136 5.888 14.958 1.668 1.00 0.63 H new ATOM 0 HE3 LYS A 136 4.415 14.826 2.609 1.00 0.63 H new ATOM 0 HZ1 LYS A 136 6.046 15.120 4.196 1.00 1.52 H new ATOM 0 HZ2 LYS A 136 5.851 13.433 4.204 1.00 1.52 H new ATOM 0 HZ3 LYS A 136 7.174 14.131 3.400 1.00 1.52 H new ATOM 1921 N VAL A 137 6.645 10.835 -3.138 1.00 0.23 N ATOM 1922 CA VAL A 137 7.309 10.022 -4.144 1.00 0.25 C ATOM 1923 C VAL A 137 8.125 10.904 -5.086 1.00 0.30 C ATOM 1924 O VAL A 137 9.184 10.508 -5.568 1.00 0.33 O ATOM 1925 CB VAL A 137 6.300 9.172 -4.949 1.00 0.30 C ATOM 1926 CG1 VAL A 137 6.969 8.497 -6.137 1.00 0.35 C ATOM 1927 CG2 VAL A 137 5.650 8.133 -4.049 1.00 0.33 C ATOM 0 H VAL A 137 5.634 10.905 -3.250 1.00 0.23 H new ATOM 0 HA VAL A 137 7.980 9.338 -3.624 1.00 0.25 H new ATOM 0 HB VAL A 137 5.530 9.840 -5.333 1.00 0.30 H new ATOM 0 HG11 VAL A 137 6.233 7.907 -6.682 1.00 0.35 H new ATOM 0 HG12 VAL A 137 7.388 9.256 -6.798 1.00 0.35 H new ATOM 0 HG13 VAL A 137 7.767 7.844 -5.783 1.00 0.35 H new ATOM 0 HG21 VAL A 137 4.942 7.541 -4.629 1.00 0.33 H new ATOM 0 HG22 VAL A 137 6.417 7.478 -3.636 1.00 0.33 H new ATOM 0 HG23 VAL A 137 5.124 8.634 -3.236 1.00 0.33 H new ATOM 1937 N ALA A 138 7.646 12.121 -5.314 1.00 0.34 N ATOM 1938 CA ALA A 138 8.361 13.077 -6.146 1.00 0.43 C ATOM 1939 C ALA A 138 9.631 13.548 -5.446 1.00 0.43 C ATOM 1940 O ALA A 138 10.473 14.219 -6.042 1.00 0.50 O ATOM 1941 CB ALA A 138 7.465 14.261 -6.477 1.00 0.50 C ATOM 0 H ALA A 138 6.765 12.468 -4.934 1.00 0.34 H new ATOM 0 HA ALA A 138 8.644 12.585 -7.076 1.00 0.43 H new ATOM 0 HB1 ALA A 138 8.012 14.969 -7.100 1.00 0.50 H new ATOM 0 HB2 ALA A 138 6.583 13.911 -7.014 1.00 0.50 H new ATOM 0 HB3 ALA A 138 7.156 14.753 -5.555 1.00 0.50 H new ATOM 1947 N GLN A 139 9.753 13.203 -4.172 1.00 0.39 N ATOM 1948 CA GLN A 139 10.923 13.557 -3.392 1.00 0.43 C ATOM 1949 C GLN A 139 11.846 12.353 -3.216 1.00 0.40 C ATOM 1950 O GLN A 139 12.922 12.464 -2.623 1.00 0.45 O ATOM 1951 CB GLN A 139 10.486 14.078 -2.027 1.00 0.45 C ATOM 1952 CG GLN A 139 9.105 14.699 -2.035 1.00 0.54 C ATOM 1953 CD GLN A 139 9.126 16.188 -2.293 1.00 1.08 C ATOM 1954 OE1 GLN A 139 10.121 16.866 -2.037 1.00 1.76 O ATOM 1955 NE2 GLN A 139 8.021 16.708 -2.798 1.00 1.56 N ATOM 0 H GLN A 139 9.049 12.675 -3.657 1.00 0.39 H new ATOM 0 HA GLN A 139 11.473 14.334 -3.923 1.00 0.43 H new ATOM 0 HB2 GLN A 139 10.503 13.257 -1.310 1.00 0.45 H new ATOM 0 HB3 GLN A 139 11.207 14.818 -1.681 1.00 0.45 H new ATOM 0 HG2 GLN A 139 8.499 14.212 -2.799 1.00 0.54 H new ATOM 0 HG3 GLN A 139 8.622 14.509 -1.076 1.00 0.54 H new ATOM 0 HE21 GLN A 139 7.219 16.109 -2.995 1.00 1.56 H new ATOM 0 HE22 GLN A 139 7.970 17.708 -2.991 1.00 1.56 H new ATOM 1964 N MET A 140 11.410 11.204 -3.720 1.00 0.35 N ATOM 1965 CA MET A 140 12.166 9.962 -3.586 1.00 0.35 C ATOM 1966 C MET A 140 13.459 10.009 -4.395 1.00 0.40 C ATOM 1967 O MET A 140 13.503 10.593 -5.477 1.00 0.48 O ATOM 1968 CB MET A 140 11.318 8.774 -4.046 1.00 0.38 C ATOM 1969 CG MET A 140 10.426 8.201 -2.958 1.00 0.66 C ATOM 1970 SD MET A 140 10.909 6.534 -2.479 1.00 0.86 S ATOM 1971 CE MET A 140 10.551 5.652 -3.994 1.00 0.67 C ATOM 0 H MET A 140 10.531 11.106 -4.228 1.00 0.35 H new ATOM 0 HA MET A 140 12.422 9.842 -2.533 1.00 0.35 H new ATOM 0 HB2 MET A 140 10.697 9.086 -4.885 1.00 0.38 H new ATOM 0 HB3 MET A 140 11.978 7.988 -4.413 1.00 0.38 H new ATOM 0 HG2 MET A 140 10.461 8.851 -2.084 1.00 0.66 H new ATOM 0 HG3 MET A 140 9.393 8.191 -3.307 1.00 0.66 H new ATOM 0 HE1 MET A 140 10.362 4.603 -3.768 1.00 0.67 H new ATOM 0 HE2 MET A 140 9.670 6.086 -4.468 1.00 0.67 H new ATOM 0 HE3 MET A 140 11.402 5.730 -4.670 1.00 0.67 H new ATOM 1981 N PRO A 141 14.534 9.402 -3.870 1.00 0.42 N ATOM 1982 CA PRO A 141 15.818 9.337 -4.566 1.00 0.52 C ATOM 1983 C PRO A 141 15.761 8.398 -5.767 1.00 0.61 C ATOM 1984 O PRO A 141 15.671 7.179 -5.615 1.00 0.67 O ATOM 1985 CB PRO A 141 16.775 8.796 -3.502 1.00 0.55 C ATOM 1986 CG PRO A 141 15.914 8.046 -2.547 1.00 0.53 C ATOM 1987 CD PRO A 141 14.580 8.740 -2.552 1.00 0.46 C ATOM 0 HA PRO A 141 16.121 10.304 -4.968 1.00 0.52 H new ATOM 0 HB2 PRO A 141 17.530 8.146 -3.945 1.00 0.55 H new ATOM 0 HB3 PRO A 141 17.306 9.606 -3.001 1.00 0.55 H new ATOM 0 HG2 PRO A 141 15.812 7.004 -2.850 1.00 0.53 H new ATOM 0 HG3 PRO A 141 16.349 8.046 -1.548 1.00 0.53 H new ATOM 0 HD2 PRO A 141 13.760 8.032 -2.431 1.00 0.46 H new ATOM 0 HD3 PRO A 141 14.501 9.461 -1.739 1.00 0.46 H new ATOM 1995 N GLN A 142 15.836 8.975 -6.957 1.00 0.76 N ATOM 1996 CA GLN A 142 15.708 8.221 -8.201 1.00 0.94 C ATOM 1997 C GLN A 142 16.988 7.449 -8.536 1.00 0.93 C ATOM 1998 O GLN A 142 17.097 6.841 -9.600 1.00 1.17 O ATOM 1999 CB GLN A 142 15.364 9.176 -9.343 1.00 1.21 C ATOM 2000 CG GLN A 142 14.224 8.695 -10.225 1.00 1.60 C ATOM 2001 CD GLN A 142 14.703 8.208 -11.578 1.00 2.34 C ATOM 2002 OE1 GLN A 142 15.448 8.900 -12.275 1.00 2.87 O ATOM 2003 NE2 GLN A 142 14.279 7.014 -11.958 1.00 2.91 N ATOM 0 H GLN A 142 15.987 9.975 -7.090 1.00 0.76 H new ATOM 0 HA GLN A 142 14.909 7.491 -8.070 1.00 0.94 H new ATOM 0 HB2 GLN A 142 15.102 10.148 -8.925 1.00 1.21 H new ATOM 0 HB3 GLN A 142 16.250 9.323 -9.960 1.00 1.21 H new ATOM 0 HG2 GLN A 142 13.693 7.889 -9.719 1.00 1.60 H new ATOM 0 HG3 GLN A 142 13.511 9.507 -10.366 1.00 1.60 H new ATOM 0 HE21 GLN A 142 13.663 6.474 -11.350 1.00 2.91 H new ATOM 0 HE22 GLN A 142 14.568 6.633 -12.859 1.00 2.91 H new ATOM 2012 N GLU A 143 17.948 7.475 -7.624 1.00 0.80 N ATOM 2013 CA GLU A 143 19.228 6.825 -7.842 1.00 0.91 C ATOM 2014 C GLU A 143 19.317 5.513 -7.078 1.00 0.87 C ATOM 2015 O GLU A 143 19.832 4.524 -7.598 1.00 1.20 O ATOM 2016 CB GLU A 143 20.355 7.749 -7.407 1.00 1.04 C ATOM 2017 CG GLU A 143 20.303 9.107 -8.077 1.00 1.22 C ATOM 2018 CD GLU A 143 21.657 9.772 -8.156 1.00 1.94 C ATOM 2019 OE1 GLU A 143 22.320 9.902 -7.109 1.00 2.30 O ATOM 2020 OE2 GLU A 143 22.061 10.167 -9.271 1.00 2.70 O ATOM 0 H GLU A 143 17.862 7.942 -6.722 1.00 0.80 H new ATOM 0 HA GLU A 143 19.321 6.607 -8.906 1.00 0.91 H new ATOM 0 HB2 GLU A 143 20.311 7.882 -6.326 1.00 1.04 H new ATOM 0 HB3 GLU A 143 21.311 7.276 -7.631 1.00 1.04 H new ATOM 0 HG2 GLU A 143 19.899 8.996 -9.083 1.00 1.22 H new ATOM 0 HG3 GLU A 143 19.618 9.752 -7.528 1.00 1.22 H new ATOM 2027 N GLU A 144 18.816 5.530 -5.841 1.00 0.77 N ATOM 2028 CA GLU A 144 18.854 4.370 -4.944 1.00 0.77 C ATOM 2029 C GLU A 144 20.276 4.101 -4.464 1.00 0.82 C ATOM 2030 O GLU A 144 21.096 3.538 -5.186 1.00 1.16 O ATOM 2031 CB GLU A 144 18.283 3.113 -5.616 1.00 0.82 C ATOM 2032 CG GLU A 144 18.408 1.855 -4.766 1.00 1.04 C ATOM 2033 CD GLU A 144 17.118 1.082 -4.695 1.00 1.58 C ATOM 2034 OE1 GLU A 144 16.637 0.627 -5.755 1.00 1.87 O ATOM 2035 OE2 GLU A 144 16.579 0.931 -3.584 1.00 2.34 O ATOM 0 H GLU A 144 18.371 6.351 -5.431 1.00 0.77 H new ATOM 0 HA GLU A 144 18.228 4.609 -4.084 1.00 0.77 H new ATOM 0 HB2 GLU A 144 17.231 3.281 -5.848 1.00 0.82 H new ATOM 0 HB3 GLU A 144 18.797 2.953 -6.564 1.00 0.82 H new ATOM 0 HG2 GLU A 144 19.189 1.217 -5.179 1.00 1.04 H new ATOM 0 HG3 GLU A 144 18.720 2.130 -3.758 1.00 1.04 H new ATOM 2042 N VAL A 145 20.560 4.514 -3.242 1.00 0.63 N ATOM 2043 CA VAL A 145 21.850 4.250 -2.625 1.00 0.68 C ATOM 2044 C VAL A 145 21.675 3.209 -1.529 1.00 0.61 C ATOM 2045 O VAL A 145 20.744 3.297 -0.737 1.00 0.61 O ATOM 2046 CB VAL A 145 22.471 5.531 -2.022 1.00 0.78 C ATOM 2047 CG1 VAL A 145 23.970 5.362 -1.835 1.00 0.99 C ATOM 2048 CG2 VAL A 145 22.174 6.746 -2.894 1.00 0.88 C ATOM 0 H VAL A 145 19.911 5.037 -2.653 1.00 0.63 H new ATOM 0 HA VAL A 145 22.526 3.883 -3.397 1.00 0.68 H new ATOM 0 HB VAL A 145 22.017 5.697 -1.045 1.00 0.78 H new ATOM 0 HG11 VAL A 145 24.389 6.274 -1.410 1.00 0.99 H new ATOM 0 HG12 VAL A 145 24.161 4.527 -1.161 1.00 0.99 H new ATOM 0 HG13 VAL A 145 24.437 5.164 -2.800 1.00 0.99 H new ATOM 0 HG21 VAL A 145 22.622 7.633 -2.447 1.00 0.88 H new ATOM 0 HG22 VAL A 145 22.592 6.591 -3.889 1.00 0.88 H new ATOM 0 HG23 VAL A 145 21.095 6.884 -2.971 1.00 0.88 H new ATOM 2058 N GLU A 146 22.544 2.216 -1.490 1.00 0.66 N ATOM 2059 CA GLU A 146 22.410 1.143 -0.516 1.00 0.68 C ATOM 2060 C GLU A 146 22.956 1.563 0.842 1.00 0.72 C ATOM 2061 O GLU A 146 23.895 2.357 0.931 1.00 0.75 O ATOM 2062 CB GLU A 146 23.131 -0.113 -0.999 1.00 0.79 C ATOM 2063 CG GLU A 146 22.429 -1.404 -0.613 1.00 1.00 C ATOM 2064 CD GLU A 146 22.554 -2.472 -1.680 1.00 1.10 C ATOM 2065 OE1 GLU A 146 23.559 -2.473 -2.410 1.00 1.53 O ATOM 2066 OE2 GLU A 146 21.640 -3.313 -1.805 1.00 1.24 O ATOM 0 H GLU A 146 23.345 2.128 -2.115 1.00 0.66 H new ATOM 0 HA GLU A 146 21.348 0.924 -0.408 1.00 0.68 H new ATOM 0 HB2 GLU A 146 23.227 -0.072 -2.084 1.00 0.79 H new ATOM 0 HB3 GLU A 146 24.141 -0.122 -0.590 1.00 0.79 H new ATOM 0 HG2 GLU A 146 22.849 -1.777 0.321 1.00 1.00 H new ATOM 0 HG3 GLU A 146 21.374 -1.200 -0.429 1.00 1.00 H new ATOM 2073 N LEU A 147 22.358 1.033 1.897 1.00 0.76 N ATOM 2074 CA LEU A 147 22.810 1.322 3.243 1.00 0.86 C ATOM 2075 C LEU A 147 23.546 0.117 3.820 1.00 1.01 C ATOM 2076 O LEU A 147 23.783 0.085 5.044 1.00 1.57 O ATOM 2077 CB LEU A 147 21.633 1.698 4.145 1.00 0.86 C ATOM 2078 CG LEU A 147 20.794 2.883 3.672 1.00 0.76 C ATOM 2079 CD1 LEU A 147 19.449 2.883 4.379 1.00 0.80 C ATOM 2080 CD2 LEU A 147 21.530 4.189 3.916 1.00 0.82 C ATOM 2081 OXT LEU A 147 23.878 -0.804 3.042 1.00 1.46 O ATOM 0 H LEU A 147 21.559 0.401 1.844 1.00 0.76 H new ATOM 0 HA LEU A 147 23.493 2.170 3.199 1.00 0.86 H new ATOM 0 HB2 LEU A 147 20.981 0.830 4.243 1.00 0.86 H new ATOM 0 HB3 LEU A 147 22.018 1.922 5.140 1.00 0.86 H new ATOM 0 HG LEU A 147 20.623 2.787 2.600 1.00 0.76 H new ATOM 0 HD11 LEU A 147 18.857 3.732 4.035 1.00 0.80 H new ATOM 0 HD12 LEU A 147 18.920 1.957 4.154 1.00 0.80 H new ATOM 0 HD13 LEU A 147 19.604 2.960 5.455 1.00 0.80 H new ATOM 0 HD21 LEU A 147 20.917 5.022 3.573 1.00 0.82 H new ATOM 0 HD22 LEU A 147 21.730 4.301 4.982 1.00 0.82 H new ATOM 0 HD23 LEU A 147 22.473 4.183 3.369 1.00 0.82 H new TER 2093 LEU A 147 ATOM 2094 N GLY B 311 -19.320 0.229 6.318 1.00 2.17 N ATOM 2095 CA GLY B 311 -18.708 -0.712 5.352 1.00 1.75 C ATOM 2096 C GLY B 311 -18.296 -0.012 4.081 1.00 1.45 C ATOM 2097 O GLY B 311 -18.320 1.219 4.016 1.00 1.85 O ATOM 0 HA2 GLY B 311 -17.838 -1.186 5.806 1.00 1.75 H new ATOM 0 HA3 GLY B 311 -19.417 -1.506 5.118 1.00 1.75 H new HETATM 2101 OH ALY B 312 -11.543 -1.659 -1.870 1.00 1.52 O HETATM 2102 CH ALY B 312 -11.254 -1.628 -0.671 1.00 1.37 C HETATM 2103 CH3 ALY B 312 -9.822 -1.663 -0.221 1.00 1.86 C HETATM 2104 NZ ALY B 312 -12.168 -1.565 0.289 1.00 1.27 N HETATM 2105 CE ALY B 312 -13.604 -1.523 0.036 1.00 1.51 C HETATM 2106 CD ALY B 312 -14.378 -1.013 1.240 1.00 1.71 C HETATM 2107 CG ALY B 312 -15.577 -1.896 1.543 1.00 1.76 C HETATM 2108 CB ALY B 312 -16.853 -1.337 0.936 1.00 1.59 C HETATM 2109 CA ALY B 312 -17.498 -0.244 1.790 1.00 1.22 C HETATM 2110 N ALY B 312 -17.912 -0.790 3.076 1.00 1.27 N HETATM 2111 C ALY B 312 -18.687 0.372 1.064 1.00 1.31 C HETATM 2112 O ALY B 312 -19.416 -0.306 0.337 1.00 1.71 O HETATM 0 HH33 ALY B 312 -9.353 -2.582 -0.571 1.00 1.86 H new HETATM 0 HH32 ALY B 312 -9.290 -0.805 -0.632 1.00 1.86 H new HETATM 0 HH31 ALY B 312 -9.782 -1.627 0.868 1.00 1.86 H new HETATM 0 HZ ALY B 312 -11.849 -1.545 1.258 1.00 1.27 H new HETATM 0 HG3 ALY B 312 -15.697 -1.989 2.622 1.00 1.76 H new HETATM 0 HG2 ALY B 312 -15.398 -2.899 1.155 1.00 1.76 H new HETATM 0 HE3 ALY B 312 -13.956 -2.521 -0.225 1.00 1.51 H new HETATM 0 HE2 ALY B 312 -13.803 -0.880 -0.822 1.00 1.51 H new HETATM 0 HD3 ALY B 312 -14.713 0.007 1.053 1.00 1.71 H new HETATM 0 HD2 ALY B 312 -13.721 -0.978 2.109 1.00 1.71 H new HETATM 0 HCA ALY B 312 -16.761 0.540 1.964 1.00 1.22 H new HETATM 0 HB3 ALY B 312 -17.567 -2.149 0.796 1.00 1.59 H new HETATM 0 HB2 ALY B 312 -16.631 -0.934 -0.052 1.00 1.59 H new HETATM 0 H ALY B 312 -17.752 -1.775 3.287 1.00 1.27 H new ATOM 2127 N GLY B 313 -18.868 1.662 1.275 1.00 1.29 N ATOM 2128 CA GLY B 313 -20.004 2.364 0.728 1.00 1.46 C ATOM 2129 C GLY B 313 -20.524 3.379 1.717 1.00 1.36 C ATOM 2130 O GLY B 313 -21.533 3.135 2.377 1.00 1.97 O ATOM 0 H GLY B 313 -18.237 2.244 1.825 1.00 1.29 H new ATOM 0 HA2 GLY B 313 -19.719 2.863 -0.198 1.00 1.46 H new ATOM 0 HA3 GLY B 313 -20.792 1.654 0.478 1.00 1.46 H new ATOM 2134 N LYS B 314 -19.808 4.501 1.825 1.00 1.20 N ATOM 2135 CA LYS B 314 -20.090 5.548 2.813 1.00 1.15 C ATOM 2136 C LYS B 314 -19.533 5.132 4.165 1.00 1.02 C ATOM 2137 O LYS B 314 -20.140 4.345 4.895 1.00 1.28 O ATOM 2138 CB LYS B 314 -21.588 5.868 2.920 1.00 1.53 C ATOM 2139 CG LYS B 314 -22.090 6.827 1.849 1.00 1.97 C ATOM 2140 CD LYS B 314 -23.584 6.668 1.614 1.00 2.24 C ATOM 2141 CE LYS B 314 -23.870 6.044 0.257 1.00 2.95 C ATOM 2142 NZ LYS B 314 -25.285 6.245 -0.160 1.00 3.58 N ATOM 0 H LYS B 314 -19.010 4.711 1.225 1.00 1.20 H new ATOM 0 HA LYS B 314 -19.601 6.462 2.478 1.00 1.15 H new ATOM 0 HB2 LYS B 314 -22.154 4.939 2.856 1.00 1.53 H new ATOM 0 HB3 LYS B 314 -21.789 6.297 3.902 1.00 1.53 H new ATOM 0 HG2 LYS B 314 -21.875 7.853 2.148 1.00 1.97 H new ATOM 0 HG3 LYS B 314 -21.553 6.647 0.918 1.00 1.97 H new ATOM 0 HD2 LYS B 314 -24.013 6.046 2.400 1.00 2.24 H new ATOM 0 HD3 LYS B 314 -24.069 7.642 1.678 1.00 2.24 H new ATOM 0 HE2 LYS B 314 -23.206 6.480 -0.490 1.00 2.95 H new ATOM 0 HE3 LYS B 314 -23.651 4.977 0.295 1.00 2.95 H new ATOM 0 HZ1 LYS B 314 -25.439 5.805 -1.090 1.00 3.58 H new ATOM 0 HZ2 LYS B 314 -25.918 5.807 0.539 1.00 3.58 H new ATOM 0 HZ3 LYS B 314 -25.488 7.263 -0.221 1.00 3.58 H new HETATM 2156 OH ALY B 315 -15.417 -0.144 5.105 1.00 1.76 O HETATM 2157 CH ALY B 315 -14.874 0.716 5.797 1.00 1.07 C HETATM 2158 CH3 ALY B 315 -14.280 0.368 7.135 1.00 1.45 C HETATM 2159 NZ ALY B 315 -14.779 1.989 5.425 1.00 1.04 N HETATM 2160 CE ALY B 315 -15.298 2.507 4.162 1.00 1.26 C HETATM 2161 CD ALY B 315 -14.732 3.878 3.834 1.00 1.06 C HETATM 2162 CG ALY B 315 -15.786 4.965 3.939 1.00 0.98 C HETATM 2163 CB ALY B 315 -16.131 5.281 5.386 1.00 0.92 C HETATM 2164 CA ALY B 315 -17.633 5.247 5.672 1.00 0.90 C HETATM 2165 N ALY B 315 -18.372 5.670 4.495 1.00 0.86 N HETATM 2166 C ALY B 315 -17.973 6.130 6.865 1.00 1.19 C HETATM 2167 O ALY B 315 -17.106 6.785 7.446 1.00 1.94 O HETATM 0 HH33 ALY B 315 -15.059 -0.029 7.787 1.00 1.45 H new HETATM 0 HH32 ALY B 315 -13.500 -0.382 7.003 1.00 1.45 H new HETATM 0 HH31 ALY B 315 -13.850 1.262 7.586 1.00 1.45 H new HETATM 0 HZ ALY B 315 -14.317 2.641 6.058 1.00 1.04 H new HETATM 0 HG3 ALY B 315 -16.686 4.650 3.411 1.00 0.98 H new HETATM 0 HG2 ALY B 315 -15.427 5.868 3.446 1.00 0.98 H new HETATM 0 HE3 ALY B 315 -16.385 2.566 4.214 1.00 1.26 H new HETATM 0 HE2 ALY B 315 -15.055 1.812 3.358 1.00 1.26 H new HETATM 0 HD3 ALY B 315 -14.319 3.869 2.825 1.00 1.06 H new HETATM 0 HD2 ALY B 315 -13.909 4.103 4.513 1.00 1.06 H new HETATM 0 HCA ALY B 315 -17.919 4.224 5.917 1.00 0.90 H new HETATM 0 HB3 ALY B 315 -15.743 6.268 5.637 1.00 0.92 H new HETATM 0 HB2 ALY B 315 -15.628 4.565 6.037 1.00 0.92 H new HETATM 0 H ALY B 315 -17.872 5.933 3.646 1.00 0.86 H new ATOM 2182 N LYS B 316 -19.245 6.146 7.217 1.00 1.45 N ATOM 2183 CA LYS B 316 -19.714 6.924 8.347 1.00 1.75 C ATOM 2184 C LYS B 316 -20.198 5.993 9.448 1.00 2.25 C ATOM 2185 O LYS B 316 -20.486 6.476 10.562 1.00 2.57 O ATOM 2186 CB LYS B 316 -20.839 7.872 7.916 1.00 2.43 C ATOM 2187 CG LYS B 316 -20.409 8.888 6.867 1.00 2.91 C ATOM 2188 CD LYS B 316 -21.578 9.734 6.388 1.00 3.60 C ATOM 2189 CE LYS B 316 -21.356 10.242 4.970 1.00 4.12 C ATOM 2190 NZ LYS B 316 -22.235 11.400 4.654 1.00 4.60 N ATOM 0 H LYS B 316 -19.976 5.625 6.732 1.00 1.45 H new ATOM 0 HA LYS B 316 -18.888 7.525 8.728 1.00 1.75 H new ATOM 0 HB2 LYS B 316 -21.668 7.284 7.522 1.00 2.43 H new ATOM 0 HB3 LYS B 316 -21.212 8.402 8.792 1.00 2.43 H new ATOM 0 HG2 LYS B 316 -19.638 9.536 7.283 1.00 2.91 H new ATOM 0 HG3 LYS B 316 -19.965 8.368 6.018 1.00 2.91 H new ATOM 0 HD2 LYS B 316 -22.494 9.145 6.425 1.00 3.60 H new ATOM 0 HD3 LYS B 316 -21.716 10.580 7.061 1.00 3.60 H new ATOM 0 HE2 LYS B 316 -20.313 10.533 4.847 1.00 4.12 H new ATOM 0 HE3 LYS B 316 -21.547 9.436 4.261 1.00 4.12 H new ATOM 0 HZ1 LYS B 316 -22.054 11.717 3.680 1.00 4.60 H new ATOM 0 HZ2 LYS B 316 -23.231 11.115 4.746 1.00 4.60 H new ATOM 0 HZ3 LYS B 316 -22.035 12.178 5.314 1.00 4.60 H new TER 2204 LYS B 316