USER MOD reduce.3.24.130724 H: found=0, std=0, add=984, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 984 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 THR OG1 : rot 180:sc= 0.00407 USER MOD Set 1.2: A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 78 MET CE :methyl 148:sc= -4.96! (180deg=-7.38!) USER MOD Set 2.2: A 110 THR OG1 : rot 76:sc= 0.742 USER MOD Set 3.1: A 42 SER OG : rot -96:sc= 0.044 USER MOD Set 3.2: A 43 GLN : amide:sc= -0.125 X(o=-0.081,f=-0.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 5:sc= 0.644 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.0596 F(o=-1.4!,f=-0.06) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00243 USER MOD Single : A 14 GLN :FLIP amide:sc= -7.31! C(o=-13!,f=-7.3!) USER MOD Single : A 19 HIS : no HD1:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -115:sc= 0.844 (180deg=-0.132) USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 26 ASN : amide:sc= 0.842 K(o=0.84,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0.889 K(o=0.89,f=-0.41) USER MOD Single : A 44 ASN : amide:sc= -0.586 K(o=-0.59,f=-2) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= 1.83 (180deg=0.843!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 163:sc= -1.18 USER MOD Single : A 72 GLN : amide:sc= -2.78! C(o=-2.8!,f=-7.5!) USER MOD Single : A 76 LYS NZ :NH3+ -146:sc= 0.299 (180deg=-0.155) USER MOD Single : A 79 GLN : amide:sc= 0.986 K(o=0.99,f=-5.3!) USER MOD Single : A 81 ASN : amide:sc= 1.2 K(o=1.2,f=-4.3!) USER MOD Single : A 85 MET CE :methyl -149:sc= -1.75! (180deg=-5.17!) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.571 USER MOD Single : A 90 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-5.2!) USER MOD Single : A 92 GLN : amide:sc= -0.335 X(o=-0.33,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0092) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.248 USER MOD Single : A 99 LYS NZ :NH3+ 165:sc= 1.22 (180deg=1.07) USER MOD Single : A 101 SER OG : rot 180:sc= -1.77! USER MOD Single : A 112 GLN : amide:sc= -1.42! C(o=-1.4!,f=-14!) USER MOD Single : A 113 SER OG : rot -34:sc= 0.488 USER MOD Single : A 115 GLN :FLIP amide:sc= -5.19! C(o=-8.7!,f=-5.2!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN :FLIP amide:sc= -0.108 F(o=-1.8!,f=-0.11) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 MET CE :methyl -165:sc= -0.0934 (180deg=-0.419) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.846 17.054 19.133 1.00 13.16 N ATOM 2 CA MET A 1 -15.343 17.645 17.874 1.00 12.75 C ATOM 3 C MET A 1 -15.070 16.709 16.707 1.00 11.77 C ATOM 4 O MET A 1 -13.922 16.361 16.431 1.00 11.66 O ATOM 5 CB MET A 1 -14.673 18.999 17.627 1.00 13.22 C ATOM 6 CG MET A 1 -15.053 19.644 16.304 1.00 13.51 C ATOM 7 SD MET A 1 -16.820 19.992 16.172 1.00 14.33 S ATOM 8 CE MET A 1 -16.889 20.760 14.556 1.00 14.09 C ATOM 0 H1 MET A 1 -15.039 17.704 19.922 1.00 13.16 H new ATOM 0 H2 MET A 1 -15.327 16.148 19.305 1.00 13.16 H new ATOM 0 H3 MET A 1 -13.821 16.893 19.060 1.00 13.16 H new ATOM 0 HA MET A 1 -16.419 17.793 17.960 1.00 12.75 H new ATOM 0 HB2 MET A 1 -14.936 19.677 18.439 1.00 13.22 H new ATOM 0 HB3 MET A 1 -13.591 18.869 17.659 1.00 13.22 H new ATOM 0 HG2 MET A 1 -14.495 20.573 16.185 1.00 13.51 H new ATOM 0 HG3 MET A 1 -14.755 18.987 15.487 1.00 13.51 H new ATOM 0 HE1 MET A 1 -17.919 21.034 14.327 1.00 14.09 H new ATOM 0 HE2 MET A 1 -16.266 21.654 14.551 1.00 14.09 H new ATOM 0 HE3 MET A 1 -16.524 20.060 13.805 1.00 14.09 H new ATOM 20 N SER A 2 -16.137 16.275 16.051 1.00 11.22 N ATOM 21 CA SER A 2 -16.031 15.422 14.876 1.00 10.40 C ATOM 22 C SER A 2 -17.288 15.533 14.024 1.00 9.51 C ATOM 23 O SER A 2 -18.392 15.268 14.497 1.00 9.43 O ATOM 24 CB SER A 2 -15.808 13.959 15.278 1.00 10.47 C ATOM 25 OG SER A 2 -14.550 13.782 15.917 1.00 10.65 O ATOM 0 H SER A 2 -17.095 16.503 16.316 1.00 11.22 H new ATOM 0 HA SER A 2 -15.172 15.759 14.295 1.00 10.40 H new ATOM 0 HB2 SER A 2 -16.606 13.638 15.948 1.00 10.47 H new ATOM 0 HB3 SER A 2 -15.861 13.325 14.393 1.00 10.47 H new ATOM 0 HG SER A 2 -14.119 14.654 16.039 1.00 10.65 H new ATOM 31 N TYR A 3 -17.114 15.936 12.775 1.00 9.03 N ATOM 32 CA TYR A 3 -18.219 16.022 11.833 1.00 8.37 C ATOM 33 C TYR A 3 -17.702 15.729 10.431 1.00 7.38 C ATOM 34 O TYR A 3 -16.613 16.178 10.061 1.00 7.50 O ATOM 35 CB TYR A 3 -18.869 17.411 11.889 1.00 9.00 C ATOM 36 CG TYR A 3 -20.197 17.497 11.162 1.00 8.73 C ATOM 37 CD1 TYR A 3 -21.380 17.098 11.776 1.00 8.90 C ATOM 38 CD2 TYR A 3 -20.266 17.982 9.863 1.00 8.58 C ATOM 39 CE1 TYR A 3 -22.591 17.183 11.116 1.00 8.95 C ATOM 40 CE2 TYR A 3 -21.473 18.066 9.197 1.00 8.64 C ATOM 41 CZ TYR A 3 -22.635 17.645 9.829 1.00 8.84 C ATOM 42 OH TYR A 3 -23.841 17.760 9.171 1.00 9.19 O ATOM 0 H TYR A 3 -16.211 16.211 12.388 1.00 9.03 H new ATOM 0 HA TYR A 3 -18.979 15.287 12.099 1.00 8.37 H new ATOM 0 HB2 TYR A 3 -19.018 17.690 12.932 1.00 9.00 H new ATOM 0 HB3 TYR A 3 -18.183 18.140 11.459 1.00 9.00 H new ATOM 0 HD1 TYR A 3 -21.351 16.715 12.786 1.00 8.90 H new ATOM 0 HD2 TYR A 3 -19.361 18.299 9.365 1.00 8.58 H new ATOM 0 HE1 TYR A 3 -23.501 16.885 11.615 1.00 8.95 H new ATOM 0 HE2 TYR A 3 -21.513 18.457 8.191 1.00 8.64 H new ATOM 0 HH TYR A 3 -23.689 18.105 8.266 1.00 9.19 H new ATOM 52 N ILE A 4 -18.454 14.956 9.666 1.00 6.65 N ATOM 53 CA ILE A 4 -18.052 14.622 8.307 1.00 5.84 C ATOM 54 C ILE A 4 -18.995 15.242 7.280 1.00 5.70 C ATOM 55 O ILE A 4 -20.049 14.690 6.962 1.00 5.57 O ATOM 56 CB ILE A 4 -17.948 13.097 8.092 1.00 5.26 C ATOM 57 CG1 ILE A 4 -19.185 12.377 8.641 1.00 5.59 C ATOM 58 CG2 ILE A 4 -16.681 12.568 8.743 1.00 5.75 C ATOM 59 CD1 ILE A 4 -19.161 10.876 8.434 1.00 5.82 C ATOM 0 H ILE A 4 -19.342 14.549 9.959 1.00 6.65 H new ATOM 0 HA ILE A 4 -17.058 15.045 8.162 1.00 5.84 H new ATOM 0 HB ILE A 4 -17.901 12.900 7.021 1.00 5.26 H new ATOM 0 HG12 ILE A 4 -19.272 12.586 9.707 1.00 5.59 H new ATOM 0 HG13 ILE A 4 -20.075 12.786 8.162 1.00 5.59 H new ATOM 0 HG21 ILE A 4 -16.614 11.491 8.587 1.00 5.75 H new ATOM 0 HG22 ILE A 4 -15.813 13.054 8.297 1.00 5.75 H new ATOM 0 HG23 ILE A 4 -16.706 12.779 9.812 1.00 5.75 H new ATOM 0 HD11 ILE A 4 -20.069 10.437 8.848 1.00 5.82 H new ATOM 0 HD12 ILE A 4 -19.106 10.657 7.368 1.00 5.82 H new ATOM 0 HD13 ILE A 4 -18.291 10.453 8.937 1.00 5.82 H new ATOM 71 N PRO A 5 -18.620 16.416 6.758 1.00 6.16 N ATOM 72 CA PRO A 5 -19.429 17.152 5.788 1.00 6.54 C ATOM 73 C PRO A 5 -19.549 16.413 4.464 1.00 6.19 C ATOM 74 O PRO A 5 -18.561 16.224 3.753 1.00 6.51 O ATOM 75 CB PRO A 5 -18.670 18.473 5.591 1.00 7.37 C ATOM 76 CG PRO A 5 -17.686 18.540 6.709 1.00 7.46 C ATOM 77 CD PRO A 5 -17.371 17.121 7.069 1.00 6.75 C ATOM 0 HA PRO A 5 -20.451 17.289 6.142 1.00 6.54 H new ATOM 0 HB2 PRO A 5 -18.167 18.496 4.624 1.00 7.37 H new ATOM 0 HB3 PRO A 5 -19.351 19.324 5.616 1.00 7.37 H new ATOM 0 HG2 PRO A 5 -16.786 19.074 6.405 1.00 7.46 H new ATOM 0 HG3 PRO A 5 -18.101 19.076 7.562 1.00 7.46 H new ATOM 0 HD2 PRO A 5 -16.534 16.734 6.488 1.00 6.75 H new ATOM 0 HD3 PRO A 5 -17.103 17.022 8.121 1.00 6.75 H new ATOM 85 N GLY A 6 -20.755 15.966 4.154 1.00 5.88 N ATOM 86 CA GLY A 6 -21.000 15.312 2.884 1.00 5.89 C ATOM 87 C GLY A 6 -20.886 13.803 2.966 1.00 5.07 C ATOM 88 O GLY A 6 -21.366 13.103 2.074 1.00 5.32 O ATOM 0 H GLY A 6 -21.572 16.044 4.760 1.00 5.88 H new ATOM 0 HA2 GLY A 6 -21.996 15.577 2.531 1.00 5.89 H new ATOM 0 HA3 GLY A 6 -20.290 15.685 2.146 1.00 5.89 H new ATOM 92 N GLN A 7 -20.271 13.314 4.052 1.00 4.35 N ATOM 93 CA GLN A 7 -20.041 11.880 4.260 1.00 3.71 C ATOM 94 C GLN A 7 -19.076 11.324 3.213 1.00 2.97 C ATOM 95 O GLN A 7 -19.468 10.989 2.093 1.00 3.13 O ATOM 96 CB GLN A 7 -21.363 11.104 4.262 1.00 4.33 C ATOM 97 CG GLN A 7 -22.269 11.462 5.432 1.00 5.04 C ATOM 98 CD GLN A 7 -23.654 10.859 5.312 1.00 5.77 C ATOM 99 OE1 GLN A 7 -24.145 10.749 4.087 1.00 6.37 O flip ATOM 100 NE2 GLN A 7 -24.287 10.507 6.310 1.00 6.03 N flip ATOM 0 H GLN A 7 -19.920 13.901 4.809 1.00 4.35 H new ATOM 0 HA GLN A 7 -19.581 11.752 5.240 1.00 3.71 H new ATOM 0 HB2 GLN A 7 -21.892 11.298 3.329 1.00 4.33 H new ATOM 0 HB3 GLN A 7 -21.149 10.036 4.291 1.00 4.33 H new ATOM 0 HG2 GLN A 7 -21.809 11.120 6.359 1.00 5.04 H new ATOM 0 HG3 GLN A 7 -22.355 12.546 5.500 1.00 5.04 H new ATOM 0 HE21 GLN A 7 -23.874 10.608 7.237 1.00 6.03 H new ATOM 0 HE22 GLN A 7 -25.223 10.115 6.208 1.00 6.03 H new ATOM 109 N PRO A 8 -17.789 11.223 3.574 1.00 2.60 N ATOM 110 CA PRO A 8 -16.729 10.848 2.652 1.00 2.22 C ATOM 111 C PRO A 8 -16.619 9.338 2.477 1.00 1.55 C ATOM 112 O PRO A 8 -17.447 8.577 2.989 1.00 1.98 O ATOM 113 CB PRO A 8 -15.458 11.402 3.321 1.00 2.90 C ATOM 114 CG PRO A 8 -15.895 12.007 4.620 1.00 3.40 C ATOM 115 CD PRO A 8 -17.252 11.447 4.915 1.00 3.12 C ATOM 0 HA PRO A 8 -16.906 11.240 1.650 1.00 2.22 H new ATOM 0 HB2 PRO A 8 -14.729 10.609 3.487 1.00 2.90 H new ATOM 0 HB3 PRO A 8 -14.978 12.148 2.687 1.00 2.90 H new ATOM 0 HG2 PRO A 8 -15.193 11.763 5.417 1.00 3.40 H new ATOM 0 HG3 PRO A 8 -15.931 13.094 4.549 1.00 3.40 H new ATOM 0 HD2 PRO A 8 -17.195 10.523 5.491 1.00 3.12 H new ATOM 0 HD3 PRO A 8 -17.864 12.143 5.488 1.00 3.12 H new ATOM 123 N VAL A 9 -15.583 8.904 1.769 1.00 1.36 N ATOM 124 CA VAL A 9 -15.355 7.492 1.554 1.00 1.13 C ATOM 125 C VAL A 9 -14.909 6.846 2.843 1.00 1.01 C ATOM 126 O VAL A 9 -13.787 7.045 3.313 1.00 1.07 O ATOM 127 CB VAL A 9 -14.328 7.232 0.425 1.00 1.61 C ATOM 128 CG1 VAL A 9 -13.039 8.001 0.663 1.00 2.08 C ATOM 129 CG2 VAL A 9 -14.050 5.742 0.289 1.00 2.26 C ATOM 0 H VAL A 9 -14.891 9.515 1.336 1.00 1.36 H new ATOM 0 HA VAL A 9 -16.296 7.045 1.233 1.00 1.13 H new ATOM 0 HB VAL A 9 -14.759 7.590 -0.510 1.00 1.61 H new ATOM 0 HG11 VAL A 9 -12.339 7.797 -0.147 1.00 2.08 H new ATOM 0 HG12 VAL A 9 -13.254 9.069 0.697 1.00 2.08 H new ATOM 0 HG13 VAL A 9 -12.599 7.689 1.610 1.00 2.08 H new ATOM 0 HG21 VAL A 9 -13.326 5.578 -0.509 1.00 2.26 H new ATOM 0 HG22 VAL A 9 -13.648 5.360 1.227 1.00 2.26 H new ATOM 0 HG23 VAL A 9 -14.976 5.219 0.051 1.00 2.26 H new ATOM 139 N THR A 10 -15.814 6.108 3.447 1.00 1.00 N ATOM 140 CA THR A 10 -15.484 5.415 4.657 1.00 1.07 C ATOM 141 C THR A 10 -14.734 4.146 4.307 1.00 0.92 C ATOM 142 O THR A 10 -15.298 3.055 4.216 1.00 0.99 O ATOM 143 CB THR A 10 -16.731 5.074 5.469 1.00 1.30 C ATOM 144 OG1 THR A 10 -17.748 6.066 5.247 1.00 2.09 O ATOM 145 CG2 THR A 10 -16.409 5.018 6.952 1.00 1.90 C ATOM 0 H THR A 10 -16.771 5.977 3.120 1.00 1.00 H new ATOM 0 HA THR A 10 -14.861 6.066 5.270 1.00 1.07 H new ATOM 0 HB THR A 10 -17.090 4.097 5.145 1.00 1.30 H new ATOM 0 HG1 THR A 10 -18.545 5.840 5.770 1.00 2.09 H new ATOM 0 HG21 THR A 10 -17.312 4.774 7.511 1.00 1.90 H new ATOM 0 HG22 THR A 10 -15.653 4.254 7.132 1.00 1.90 H new ATOM 0 HG23 THR A 10 -16.031 5.987 7.279 1.00 1.90 H new ATOM 153 N ALA A 11 -13.469 4.345 4.036 1.00 0.83 N ATOM 154 CA ALA A 11 -12.528 3.270 3.817 1.00 0.74 C ATOM 155 C ALA A 11 -12.211 2.545 5.120 1.00 0.77 C ATOM 156 O ALA A 11 -12.506 3.035 6.212 1.00 0.96 O ATOM 157 CB ALA A 11 -11.262 3.831 3.186 1.00 0.70 C ATOM 0 H ALA A 11 -13.055 5.274 3.960 1.00 0.83 H new ATOM 0 HA ALA A 11 -12.973 2.541 3.140 1.00 0.74 H new ATOM 0 HB1 ALA A 11 -10.550 3.023 3.019 1.00 0.70 H new ATOM 0 HB2 ALA A 11 -11.508 4.301 2.233 1.00 0.70 H new ATOM 0 HB3 ALA A 11 -10.821 4.572 3.853 1.00 0.70 H new ATOM 163 N VAL A 12 -11.604 1.389 4.989 1.00 0.65 N ATOM 164 CA VAL A 12 -11.261 0.555 6.138 1.00 0.72 C ATOM 165 C VAL A 12 -9.771 0.212 6.113 1.00 0.54 C ATOM 166 O VAL A 12 -9.233 -0.183 5.085 1.00 0.54 O ATOM 167 CB VAL A 12 -12.124 -0.733 6.186 1.00 0.89 C ATOM 168 CG1 VAL A 12 -12.003 -1.531 4.898 1.00 1.57 C ATOM 169 CG2 VAL A 12 -11.761 -1.585 7.398 1.00 1.38 C ATOM 0 H VAL A 12 -11.331 0.993 4.090 1.00 0.65 H new ATOM 0 HA VAL A 12 -11.476 1.122 7.044 1.00 0.72 H new ATOM 0 HB VAL A 12 -13.167 -0.431 6.286 1.00 0.89 H new ATOM 0 HG11 VAL A 12 -12.620 -2.427 4.966 1.00 1.57 H new ATOM 0 HG12 VAL A 12 -12.339 -0.921 4.059 1.00 1.57 H new ATOM 0 HG13 VAL A 12 -10.963 -1.818 4.744 1.00 1.57 H new ATOM 0 HG21 VAL A 12 -12.379 -2.483 7.410 1.00 1.38 H new ATOM 0 HG22 VAL A 12 -10.710 -1.869 7.342 1.00 1.38 H new ATOM 0 HG23 VAL A 12 -11.934 -1.013 8.310 1.00 1.38 H new ATOM 179 N VAL A 13 -9.102 0.381 7.236 1.00 0.52 N ATOM 180 CA VAL A 13 -7.656 0.224 7.282 1.00 0.44 C ATOM 181 C VAL A 13 -7.258 -1.231 7.533 1.00 0.41 C ATOM 182 O VAL A 13 -7.601 -1.822 8.560 1.00 0.50 O ATOM 183 CB VAL A 13 -7.042 1.128 8.364 1.00 0.61 C ATOM 184 CG1 VAL A 13 -5.532 0.974 8.411 1.00 0.90 C ATOM 185 CG2 VAL A 13 -7.434 2.582 8.124 1.00 1.02 C ATOM 0 H VAL A 13 -9.532 0.626 8.128 1.00 0.52 H new ATOM 0 HA VAL A 13 -7.267 0.522 6.308 1.00 0.44 H new ATOM 0 HB VAL A 13 -7.436 0.820 9.332 1.00 0.61 H new ATOM 0 HG11 VAL A 13 -5.124 1.624 9.185 1.00 0.90 H new ATOM 0 HG12 VAL A 13 -5.279 -0.062 8.637 1.00 0.90 H new ATOM 0 HG13 VAL A 13 -5.108 1.249 7.445 1.00 0.90 H new ATOM 0 HG21 VAL A 13 -6.992 3.210 8.897 1.00 1.02 H new ATOM 0 HG22 VAL A 13 -7.071 2.900 7.147 1.00 1.02 H new ATOM 0 HG23 VAL A 13 -8.519 2.676 8.156 1.00 1.02 H new ATOM 195 N GLN A 14 -6.534 -1.798 6.579 1.00 0.37 N ATOM 196 CA GLN A 14 -6.078 -3.185 6.667 1.00 0.40 C ATOM 197 C GLN A 14 -4.549 -3.271 6.777 1.00 0.32 C ATOM 198 O GLN A 14 -3.844 -2.274 6.624 1.00 0.41 O ATOM 199 CB GLN A 14 -6.583 -3.979 5.456 1.00 0.51 C ATOM 200 CG GLN A 14 -5.968 -3.589 4.136 1.00 0.53 C ATOM 201 CD GLN A 14 -4.793 -4.474 3.760 1.00 0.64 C ATOM 202 OE1 GLN A 14 -3.592 -4.040 4.099 1.00 1.39 O flip ATOM 203 NE2 GLN A 14 -4.965 -5.524 3.148 1.00 0.55 N flip ATOM 0 H GLN A 14 -6.246 -1.317 5.727 1.00 0.37 H new ATOM 0 HA GLN A 14 -6.492 -3.622 7.575 1.00 0.40 H new ATOM 0 HB2 GLN A 14 -6.392 -5.038 5.630 1.00 0.51 H new ATOM 0 HB3 GLN A 14 -7.664 -3.857 5.386 1.00 0.51 H new ATOM 0 HG2 GLN A 14 -6.726 -3.645 3.355 1.00 0.53 H new ATOM 0 HG3 GLN A 14 -5.637 -2.552 4.185 1.00 0.53 H new ATOM 0 HE21 GLN A 14 -5.909 -5.824 2.905 1.00 0.55 H new ATOM 0 HE22 GLN A 14 -4.164 -6.097 2.882 1.00 0.55 H new ATOM 212 N ARG A 15 -4.044 -4.470 7.044 1.00 0.32 N ATOM 213 CA ARG A 15 -2.610 -4.692 7.186 1.00 0.39 C ATOM 214 C ARG A 15 -2.066 -5.611 6.101 1.00 0.33 C ATOM 215 O ARG A 15 -2.687 -6.611 5.751 1.00 0.55 O ATOM 216 CB ARG A 15 -2.295 -5.307 8.552 1.00 0.70 C ATOM 217 CG ARG A 15 -2.346 -4.321 9.696 1.00 0.75 C ATOM 218 CD ARG A 15 -1.256 -3.282 9.557 1.00 1.44 C ATOM 219 NE ARG A 15 -1.320 -2.297 10.638 1.00 2.26 N ATOM 220 CZ ARG A 15 -0.330 -1.464 10.965 1.00 2.85 C ATOM 221 NH1 ARG A 15 0.833 -1.522 10.327 1.00 2.98 N ATOM 222 NH2 ARG A 15 -0.499 -0.584 11.946 1.00 3.63 N ATOM 0 H ARG A 15 -4.611 -5.309 7.167 1.00 0.32 H new ATOM 0 HA ARG A 15 -2.130 -3.718 7.092 1.00 0.39 H new ATOM 0 HB2 ARG A 15 -3.003 -6.113 8.748 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -1.302 -5.756 8.517 1.00 0.70 H new ATOM 0 HG2 ARG A 15 -3.320 -3.832 9.718 1.00 0.75 H new ATOM 0 HG3 ARG A 15 -2.233 -4.849 10.643 1.00 0.75 H new ATOM 0 HD2 ARG A 15 -0.282 -3.771 9.564 1.00 1.44 H new ATOM 0 HD3 ARG A 15 -1.352 -2.777 8.596 1.00 1.44 H new ATOM 0 HE ARG A 15 -2.183 -2.244 11.180 1.00 2.26 H new ATOM 0 HH11 ARG A 15 0.973 -2.206 9.583 1.00 2.98 H new ATOM 0 HH12 ARG A 15 1.586 -0.883 10.581 1.00 2.98 H new ATOM 0 HH21 ARG A 15 -1.385 -0.545 12.449 1.00 3.63 H new ATOM 0 HH22 ARG A 15 0.258 0.053 12.196 1.00 3.63 H new ATOM 236 N VAL A 16 -0.904 -5.252 5.570 1.00 0.25 N ATOM 237 CA VAL A 16 -0.177 -6.103 4.656 1.00 0.30 C ATOM 238 C VAL A 16 1.222 -6.348 5.204 1.00 0.26 C ATOM 239 O VAL A 16 1.952 -5.408 5.497 1.00 0.40 O ATOM 240 CB VAL A 16 -0.095 -5.496 3.226 1.00 0.51 C ATOM 241 CG1 VAL A 16 0.990 -6.168 2.392 1.00 1.02 C ATOM 242 CG2 VAL A 16 -1.430 -5.625 2.518 1.00 0.64 C ATOM 0 H VAL A 16 -0.445 -4.362 5.765 1.00 0.25 H new ATOM 0 HA VAL A 16 -0.717 -7.046 4.572 1.00 0.30 H new ATOM 0 HB VAL A 16 0.160 -4.442 3.335 1.00 0.51 H new ATOM 0 HG11 VAL A 16 1.017 -5.718 1.400 1.00 1.02 H new ATOM 0 HG12 VAL A 16 1.957 -6.035 2.878 1.00 1.02 H new ATOM 0 HG13 VAL A 16 0.773 -7.232 2.302 1.00 1.02 H new ATOM 0 HG21 VAL A 16 -1.355 -5.195 1.519 1.00 0.64 H new ATOM 0 HG22 VAL A 16 -1.701 -6.678 2.441 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -2.195 -5.094 3.085 1.00 0.64 H new ATOM 252 N GLU A 17 1.578 -7.601 5.381 1.00 0.22 N ATOM 253 CA GLU A 17 2.884 -7.948 5.910 1.00 0.25 C ATOM 254 C GLU A 17 3.380 -9.222 5.259 1.00 0.24 C ATOM 255 O GLU A 17 2.696 -10.245 5.293 1.00 0.28 O ATOM 256 CB GLU A 17 2.814 -8.113 7.429 1.00 0.33 C ATOM 257 CG GLU A 17 4.110 -8.596 8.068 1.00 0.44 C ATOM 258 CD GLU A 17 4.075 -8.489 9.578 1.00 0.75 C ATOM 259 OE1 GLU A 17 3.335 -9.271 10.212 1.00 1.35 O ATOM 260 OE2 GLU A 17 4.764 -7.609 10.137 1.00 1.31 O ATOM 0 H GLU A 17 0.982 -8.400 5.167 1.00 0.22 H new ATOM 0 HA GLU A 17 3.584 -7.144 5.685 1.00 0.25 H new ATOM 0 HB2 GLU A 17 2.537 -7.157 7.874 1.00 0.33 H new ATOM 0 HB3 GLU A 17 2.019 -8.819 7.670 1.00 0.33 H new ATOM 0 HG2 GLU A 17 4.290 -9.632 7.783 1.00 0.44 H new ATOM 0 HG3 GLU A 17 4.944 -8.010 7.683 1.00 0.44 H new ATOM 267 N ILE A 18 4.554 -9.164 4.652 1.00 0.24 N ATOM 268 CA ILE A 18 5.104 -10.327 4.012 1.00 0.24 C ATOM 269 C ILE A 18 6.610 -10.323 4.176 1.00 0.27 C ATOM 270 O ILE A 18 7.219 -9.265 4.290 1.00 0.33 O ATOM 271 CB ILE A 18 4.718 -10.373 2.518 1.00 0.24 C ATOM 272 CG1 ILE A 18 4.912 -11.786 1.973 1.00 0.34 C ATOM 273 CG2 ILE A 18 5.518 -9.364 1.705 1.00 0.27 C ATOM 274 CD1 ILE A 18 3.983 -12.790 2.607 1.00 0.61 C ATOM 0 H ILE A 18 5.134 -8.327 4.594 1.00 0.24 H new ATOM 0 HA ILE A 18 4.692 -11.219 4.484 1.00 0.24 H new ATOM 0 HB ILE A 18 3.666 -10.101 2.428 1.00 0.24 H new ATOM 0 HG12 ILE A 18 4.752 -11.780 0.895 1.00 0.34 H new ATOM 0 HG13 ILE A 18 5.943 -12.096 2.140 1.00 0.34 H new ATOM 0 HG21 ILE A 18 5.221 -9.423 0.658 1.00 0.27 H new ATOM 0 HG22 ILE A 18 5.325 -8.359 2.081 1.00 0.27 H new ATOM 0 HG23 ILE A 18 6.581 -9.586 1.794 1.00 0.27 H new ATOM 0 HD11 ILE A 18 4.167 -13.776 2.180 1.00 0.61 H new ATOM 0 HD12 ILE A 18 4.160 -12.821 3.682 1.00 0.61 H new ATOM 0 HD13 ILE A 18 2.950 -12.500 2.418 1.00 0.61 H new ATOM 286 N HIS A 19 7.214 -11.490 4.220 1.00 0.30 N ATOM 287 CA HIS A 19 8.652 -11.560 4.356 1.00 0.33 C ATOM 288 C HIS A 19 9.294 -11.344 2.997 1.00 0.35 C ATOM 289 O HIS A 19 9.137 -12.168 2.099 1.00 0.40 O ATOM 290 CB HIS A 19 9.087 -12.885 4.997 1.00 0.39 C ATOM 291 CG HIS A 19 8.748 -12.967 6.459 1.00 0.44 C ATOM 292 ND1 HIS A 19 9.675 -13.256 7.440 1.00 0.54 N ATOM 293 CD2 HIS A 19 7.570 -12.782 7.105 1.00 0.46 C ATOM 294 CE1 HIS A 19 9.080 -13.251 8.619 1.00 0.60 C ATOM 295 NE2 HIS A 19 7.803 -12.968 8.441 1.00 0.56 N ATOM 0 H HIS A 19 6.740 -12.392 4.165 1.00 0.30 H new ATOM 0 HA HIS A 19 8.990 -10.770 5.027 1.00 0.33 H new ATOM 0 HB2 HIS A 19 8.608 -13.711 4.471 1.00 0.39 H new ATOM 0 HB3 HIS A 19 10.163 -13.008 4.871 1.00 0.39 H new ATOM 0 HD2 HIS A 19 6.623 -12.534 6.649 1.00 0.46 H new ATOM 0 HE1 HIS A 19 9.557 -13.446 9.568 1.00 0.60 H new ATOM 0 HE2 HIS A 19 7.103 -12.899 9.180 1.00 0.56 H new ATOM 304 N LYS A 20 9.941 -10.177 2.871 1.00 0.34 N ATOM 305 CA LYS A 20 10.604 -9.707 1.635 1.00 0.36 C ATOM 306 C LYS A 20 11.084 -10.859 0.731 1.00 0.36 C ATOM 307 O LYS A 20 11.703 -11.824 1.198 1.00 0.42 O ATOM 308 CB LYS A 20 11.802 -8.803 1.998 1.00 0.40 C ATOM 309 CG LYS A 20 13.081 -9.553 2.376 1.00 1.42 C ATOM 310 CD LYS A 20 12.930 -10.342 3.665 1.00 2.33 C ATOM 311 CE LYS A 20 14.071 -11.329 3.857 1.00 3.13 C ATOM 312 NZ LYS A 20 13.969 -12.482 2.926 1.00 4.00 N ATOM 0 H LYS A 20 10.023 -9.514 3.641 1.00 0.34 H new ATOM 0 HA LYS A 20 9.858 -9.147 1.070 1.00 0.36 H new ATOM 0 HB2 LYS A 20 12.017 -8.151 1.151 1.00 0.40 H new ATOM 0 HB3 LYS A 20 11.515 -8.160 2.830 1.00 0.40 H new ATOM 0 HG2 LYS A 20 13.353 -10.232 1.568 1.00 1.42 H new ATOM 0 HG3 LYS A 20 13.899 -8.840 2.483 1.00 1.42 H new ATOM 0 HD2 LYS A 20 12.897 -9.655 4.511 1.00 2.33 H new ATOM 0 HD3 LYS A 20 11.982 -10.879 3.654 1.00 2.33 H new ATOM 0 HE2 LYS A 20 15.022 -10.819 3.701 1.00 3.13 H new ATOM 0 HE3 LYS A 20 14.068 -11.691 4.885 1.00 3.13 H new ATOM 0 HZ1 LYS A 20 13.808 -13.354 3.470 1.00 4.00 H new ATOM 0 HZ2 LYS A 20 13.175 -12.331 2.272 1.00 4.00 H new ATOM 0 HZ3 LYS A 20 14.852 -12.570 2.384 1.00 4.00 H new ATOM 326 N LEU A 21 10.831 -10.742 -0.566 1.00 0.33 N ATOM 327 CA LEU A 21 11.164 -11.817 -1.492 1.00 0.37 C ATOM 328 C LEU A 21 12.444 -11.477 -2.233 1.00 0.41 C ATOM 329 O LEU A 21 12.417 -10.835 -3.274 1.00 0.45 O ATOM 330 CB LEU A 21 10.010 -12.048 -2.482 1.00 0.38 C ATOM 331 CG LEU A 21 10.198 -13.205 -3.469 1.00 0.45 C ATOM 332 CD1 LEU A 21 10.285 -14.533 -2.730 1.00 0.55 C ATOM 333 CD2 LEU A 21 9.054 -13.225 -4.479 1.00 0.48 C ATOM 0 H LEU A 21 10.401 -9.924 -0.997 1.00 0.33 H new ATOM 0 HA LEU A 21 11.318 -12.737 -0.929 1.00 0.37 H new ATOM 0 HB2 LEU A 21 9.098 -12.226 -1.912 1.00 0.38 H new ATOM 0 HB3 LEU A 21 9.856 -11.131 -3.051 1.00 0.38 H new ATOM 0 HG LEU A 21 11.134 -13.055 -4.006 1.00 0.45 H new ATOM 0 HD11 LEU A 21 10.418 -15.341 -3.449 1.00 0.55 H new ATOM 0 HD12 LEU A 21 11.132 -14.513 -2.045 1.00 0.55 H new ATOM 0 HD13 LEU A 21 9.366 -14.697 -2.166 1.00 0.55 H new ATOM 0 HD21 LEU A 21 9.198 -14.051 -5.175 1.00 0.48 H new ATOM 0 HD22 LEU A 21 8.107 -13.354 -3.954 1.00 0.48 H new ATOM 0 HD23 LEU A 21 9.039 -12.285 -5.030 1.00 0.48 H new ATOM 345 N ARG A 22 13.570 -11.883 -1.681 1.00 0.51 N ATOM 346 CA ARG A 22 14.855 -11.493 -2.232 1.00 0.61 C ATOM 347 C ARG A 22 15.114 -12.182 -3.569 1.00 0.60 C ATOM 348 O ARG A 22 14.694 -13.319 -3.796 1.00 0.66 O ATOM 349 CB ARG A 22 15.984 -11.809 -1.249 1.00 0.88 C ATOM 350 CG ARG A 22 16.268 -13.290 -1.109 1.00 1.19 C ATOM 351 CD ARG A 22 17.542 -13.542 -0.323 1.00 1.94 C ATOM 352 NE ARG A 22 17.902 -14.958 -0.314 1.00 2.47 N ATOM 353 CZ ARG A 22 19.113 -15.425 -0.009 1.00 3.28 C ATOM 354 NH1 ARG A 22 20.115 -14.589 0.250 1.00 3.78 N ATOM 355 NH2 ARG A 22 19.321 -16.734 0.032 1.00 3.97 N ATOM 0 H ARG A 22 13.623 -12.480 -0.856 1.00 0.51 H new ATOM 0 HA ARG A 22 14.829 -10.417 -2.402 1.00 0.61 H new ATOM 0 HB2 ARG A 22 16.892 -11.303 -1.576 1.00 0.88 H new ATOM 0 HB3 ARG A 22 15.727 -11.403 -0.271 1.00 0.88 H new ATOM 0 HG2 ARG A 22 15.430 -13.776 -0.610 1.00 1.19 H new ATOM 0 HG3 ARG A 22 16.355 -13.740 -2.098 1.00 1.19 H new ATOM 0 HD2 ARG A 22 18.357 -12.962 -0.756 1.00 1.94 H new ATOM 0 HD3 ARG A 22 17.412 -13.193 0.702 1.00 1.94 H new ATOM 0 HE ARG A 22 17.178 -15.635 -0.557 1.00 2.47 H new ATOM 0 HH11 ARG A 22 19.960 -13.581 0.216 1.00 3.78 H new ATOM 0 HH12 ARG A 22 21.038 -14.956 0.482 1.00 3.78 H new ATOM 0 HH21 ARG A 22 18.556 -17.378 -0.169 1.00 3.97 H new ATOM 0 HH22 ARG A 22 20.246 -17.096 0.265 1.00 3.97 H new ATOM 369 N GLN A 23 15.773 -11.465 -4.461 1.00 0.68 N ATOM 370 CA GLN A 23 16.211 -12.014 -5.722 1.00 0.81 C ATOM 371 C GLN A 23 17.707 -11.811 -5.848 1.00 0.93 C ATOM 372 O GLN A 23 18.143 -10.755 -6.305 1.00 1.02 O ATOM 373 CB GLN A 23 15.524 -11.295 -6.881 1.00 0.90 C ATOM 374 CG GLN A 23 15.335 -12.172 -8.099 1.00 1.04 C ATOM 375 CD GLN A 23 14.050 -12.990 -8.061 1.00 0.92 C ATOM 376 OE1 GLN A 23 13.561 -13.307 -6.869 1.00 1.35 O flip ATOM 377 NE2 GLN A 23 13.492 -13.327 -9.104 1.00 0.69 N flip ATOM 0 H GLN A 23 16.018 -10.484 -4.327 1.00 0.68 H new ATOM 0 HA GLN A 23 15.959 -13.074 -5.756 1.00 0.81 H new ATOM 0 HB2 GLN A 23 14.552 -10.931 -6.549 1.00 0.90 H new ATOM 0 HB3 GLN A 23 16.114 -10.421 -7.159 1.00 0.90 H new ATOM 0 HG2 GLN A 23 15.333 -11.546 -8.991 1.00 1.04 H new ATOM 0 HG3 GLN A 23 16.185 -12.848 -8.186 1.00 1.04 H new ATOM 0 HE21 GLN A 23 13.894 -13.067 -10.005 1.00 0.69 H new ATOM 0 HE22 GLN A 23 12.627 -13.866 -9.068 1.00 0.69 H new ATOM 386 N GLY A 24 18.484 -12.811 -5.448 1.00 1.03 N ATOM 387 CA GLY A 24 19.921 -12.674 -5.415 1.00 1.19 C ATOM 388 C GLY A 24 20.353 -11.547 -4.502 1.00 1.23 C ATOM 389 O GLY A 24 20.571 -11.745 -3.304 1.00 1.33 O ATOM 0 H GLY A 24 18.137 -13.721 -5.144 1.00 1.03 H new ATOM 0 HA2 GLY A 24 20.368 -13.609 -5.077 1.00 1.19 H new ATOM 0 HA3 GLY A 24 20.293 -12.489 -6.423 1.00 1.19 H new ATOM 393 N GLU A 25 20.439 -10.362 -5.073 1.00 1.27 N ATOM 394 CA GLU A 25 20.889 -9.188 -4.352 1.00 1.43 C ATOM 395 C GLU A 25 19.749 -8.200 -4.124 1.00 1.40 C ATOM 396 O GLU A 25 19.909 -7.196 -3.430 1.00 1.61 O ATOM 397 CB GLU A 25 22.008 -8.531 -5.140 1.00 1.67 C ATOM 398 CG GLU A 25 23.151 -9.486 -5.419 1.00 1.84 C ATOM 399 CD GLU A 25 23.925 -9.847 -4.170 1.00 2.03 C ATOM 400 OE1 GLU A 25 24.654 -8.980 -3.642 1.00 2.33 O ATOM 401 OE2 GLU A 25 23.820 -10.997 -3.712 1.00 2.21 O ATOM 0 H GLU A 25 20.199 -10.186 -6.049 1.00 1.27 H new ATOM 0 HA GLU A 25 21.252 -9.494 -3.371 1.00 1.43 H new ATOM 0 HB2 GLU A 25 21.613 -8.155 -6.084 1.00 1.67 H new ATOM 0 HB3 GLU A 25 22.383 -7.671 -4.586 1.00 1.67 H new ATOM 0 HG2 GLU A 25 22.757 -10.395 -5.874 1.00 1.84 H new ATOM 0 HG3 GLU A 25 23.828 -9.034 -6.144 1.00 1.84 H new ATOM 408 N ASN A 26 18.597 -8.500 -4.697 1.00 1.21 N ATOM 409 CA ASN A 26 17.466 -7.582 -4.675 1.00 1.23 C ATOM 410 C ASN A 26 16.400 -8.051 -3.705 1.00 1.05 C ATOM 411 O ASN A 26 16.466 -9.158 -3.182 1.00 1.06 O ATOM 412 CB ASN A 26 16.838 -7.470 -6.066 1.00 1.31 C ATOM 413 CG ASN A 26 17.857 -7.207 -7.147 1.00 1.39 C ATOM 414 OD1 ASN A 26 18.124 -6.061 -7.496 1.00 1.87 O ATOM 415 ND2 ASN A 26 18.431 -8.274 -7.682 1.00 1.33 N ATOM 0 H ASN A 26 18.417 -9.377 -5.186 1.00 1.21 H new ATOM 0 HA ASN A 26 17.844 -6.611 -4.356 1.00 1.23 H new ATOM 0 HB2 ASN A 26 16.303 -8.392 -6.294 1.00 1.31 H new ATOM 0 HB3 ASN A 26 16.102 -6.666 -6.064 1.00 1.31 H new ATOM 0 HD21 ASN A 26 19.128 -8.163 -8.418 1.00 1.33 H new ATOM 0 HD22 ASN A 26 18.176 -9.207 -7.358 1.00 1.33 H new ATOM 422 N LEU A 27 15.414 -7.198 -3.482 1.00 0.95 N ATOM 423 CA LEU A 27 14.244 -7.543 -2.715 1.00 0.82 C ATOM 424 C LEU A 27 13.028 -7.273 -3.561 1.00 0.71 C ATOM 425 O LEU A 27 12.853 -6.167 -4.074 1.00 0.81 O ATOM 426 CB LEU A 27 14.158 -6.731 -1.419 1.00 0.93 C ATOM 427 CG LEU A 27 14.732 -7.410 -0.180 1.00 1.28 C ATOM 428 CD1 LEU A 27 16.223 -7.664 -0.331 1.00 2.28 C ATOM 429 CD2 LEU A 27 14.450 -6.569 1.055 1.00 1.62 C ATOM 0 H LEU A 27 15.410 -6.241 -3.834 1.00 0.95 H new ATOM 0 HA LEU A 27 14.301 -8.596 -2.440 1.00 0.82 H new ATOM 0 HB2 LEU A 27 14.679 -5.785 -1.568 1.00 0.93 H new ATOM 0 HB3 LEU A 27 13.112 -6.492 -1.229 1.00 0.93 H new ATOM 0 HG LEU A 27 14.244 -8.378 -0.064 1.00 1.28 H new ATOM 0 HD11 LEU A 27 16.602 -8.149 0.568 1.00 2.28 H new ATOM 0 HD12 LEU A 27 16.397 -8.309 -1.192 1.00 2.28 H new ATOM 0 HD13 LEU A 27 16.741 -6.716 -0.478 1.00 2.28 H new ATOM 0 HD21 LEU A 27 14.864 -7.063 1.934 1.00 1.62 H new ATOM 0 HD22 LEU A 27 14.910 -5.588 0.940 1.00 1.62 H new ATOM 0 HD23 LEU A 27 13.373 -6.453 1.178 1.00 1.62 H new ATOM 441 N ILE A 28 12.196 -8.274 -3.720 1.00 0.57 N ATOM 442 CA ILE A 28 11.011 -8.134 -4.525 1.00 0.52 C ATOM 443 C ILE A 28 9.826 -7.832 -3.625 1.00 0.44 C ATOM 444 O ILE A 28 9.474 -8.623 -2.741 1.00 0.43 O ATOM 445 CB ILE A 28 10.733 -9.406 -5.367 1.00 0.53 C ATOM 446 CG1 ILE A 28 11.922 -9.713 -6.291 1.00 0.75 C ATOM 447 CG2 ILE A 28 9.452 -9.266 -6.176 1.00 0.47 C ATOM 448 CD1 ILE A 28 12.303 -8.565 -7.205 1.00 0.80 C ATOM 0 H ILE A 28 12.320 -9.196 -3.301 1.00 0.57 H new ATOM 0 HA ILE A 28 11.167 -7.311 -5.222 1.00 0.52 H new ATOM 0 HB ILE A 28 10.603 -10.240 -4.677 1.00 0.53 H new ATOM 0 HG12 ILE A 28 12.785 -9.980 -5.680 1.00 0.75 H new ATOM 0 HG13 ILE A 28 11.681 -10.584 -6.900 1.00 0.75 H new ATOM 0 HG21 ILE A 28 9.286 -10.175 -6.755 1.00 0.47 H new ATOM 0 HG22 ILE A 28 8.611 -9.107 -5.501 1.00 0.47 H new ATOM 0 HG23 ILE A 28 9.540 -8.416 -6.852 1.00 0.47 H new ATOM 0 HD11 ILE A 28 13.150 -8.859 -7.825 1.00 0.80 H new ATOM 0 HD12 ILE A 28 11.456 -8.312 -7.843 1.00 0.80 H new ATOM 0 HD13 ILE A 28 12.577 -7.698 -6.605 1.00 0.80 H new ATOM 460 N LEU A 29 9.269 -6.647 -3.823 1.00 0.51 N ATOM 461 CA LEU A 29 8.122 -6.181 -3.064 1.00 0.55 C ATOM 462 C LEU A 29 6.841 -6.811 -3.585 1.00 0.73 C ATOM 463 O LEU A 29 5.914 -7.083 -2.822 1.00 1.74 O ATOM 464 CB LEU A 29 8.046 -4.640 -3.067 1.00 0.71 C ATOM 465 CG LEU A 29 7.876 -3.925 -4.422 1.00 0.74 C ATOM 466 CD1 LEU A 29 7.556 -2.462 -4.185 1.00 1.28 C ATOM 467 CD2 LEU A 29 9.125 -4.025 -5.288 1.00 1.33 C ATOM 0 H LEU A 29 9.603 -5.979 -4.518 1.00 0.51 H new ATOM 0 HA LEU A 29 8.244 -6.496 -2.028 1.00 0.55 H new ATOM 0 HB2 LEU A 29 7.214 -4.346 -2.428 1.00 0.71 H new ATOM 0 HB3 LEU A 29 8.955 -4.260 -2.601 1.00 0.71 H new ATOM 0 HG LEU A 29 7.061 -4.419 -4.951 1.00 0.74 H new ATOM 0 HD11 LEU A 29 7.436 -1.956 -5.143 1.00 1.28 H new ATOM 0 HD12 LEU A 29 6.632 -2.380 -3.613 1.00 1.28 H new ATOM 0 HD13 LEU A 29 8.370 -1.997 -3.629 1.00 1.28 H new ATOM 0 HD21 LEU A 29 8.956 -3.506 -6.232 1.00 1.33 H new ATOM 0 HD22 LEU A 29 9.966 -3.567 -4.768 1.00 1.33 H new ATOM 0 HD23 LEU A 29 9.348 -5.074 -5.485 1.00 1.33 H new ATOM 479 N GLY A 30 6.800 -7.067 -4.882 1.00 0.40 N ATOM 480 CA GLY A 30 5.682 -7.782 -5.453 1.00 0.32 C ATOM 481 C GLY A 30 4.493 -6.891 -5.738 1.00 0.35 C ATOM 482 O GLY A 30 3.378 -7.376 -5.885 1.00 0.69 O ATOM 0 H GLY A 30 7.521 -6.792 -5.549 1.00 0.40 H new ATOM 0 HA2 GLY A 30 5.999 -8.262 -6.379 1.00 0.32 H new ATOM 0 HA3 GLY A 30 5.379 -8.576 -4.770 1.00 0.32 H new ATOM 486 N PHE A 31 4.720 -5.592 -5.774 1.00 0.29 N ATOM 487 CA PHE A 31 3.694 -4.645 -6.182 1.00 0.28 C ATOM 488 C PHE A 31 4.325 -3.374 -6.739 1.00 0.31 C ATOM 489 O PHE A 31 5.504 -3.116 -6.513 1.00 0.42 O ATOM 490 CB PHE A 31 2.767 -4.314 -5.005 1.00 0.28 C ATOM 491 CG PHE A 31 3.465 -3.773 -3.781 1.00 0.32 C ATOM 492 CD1 PHE A 31 3.690 -2.413 -3.634 1.00 0.42 C ATOM 493 CD2 PHE A 31 3.875 -4.623 -2.766 1.00 0.33 C ATOM 494 CE1 PHE A 31 4.307 -1.917 -2.506 1.00 0.50 C ATOM 495 CE2 PHE A 31 4.497 -4.131 -1.636 1.00 0.42 C ATOM 496 CZ PHE A 31 4.711 -2.777 -1.506 1.00 0.51 C ATOM 0 H PHE A 31 5.611 -5.164 -5.524 1.00 0.29 H new ATOM 0 HA PHE A 31 3.099 -5.106 -6.970 1.00 0.28 H new ATOM 0 HB2 PHE A 31 2.028 -3.584 -5.337 1.00 0.28 H new ATOM 0 HB3 PHE A 31 2.221 -5.215 -4.726 1.00 0.28 H new ATOM 0 HD1 PHE A 31 3.378 -1.734 -4.413 1.00 0.42 H new ATOM 0 HD2 PHE A 31 3.705 -5.685 -2.860 1.00 0.33 H new ATOM 0 HE1 PHE A 31 4.474 -0.855 -2.405 1.00 0.50 H new ATOM 0 HE2 PHE A 31 4.815 -4.807 -0.856 1.00 0.42 H new ATOM 0 HZ PHE A 31 5.195 -2.389 -0.622 1.00 0.51 H new ATOM 506 N SER A 32 3.550 -2.595 -7.485 1.00 0.25 N ATOM 507 CA SER A 32 4.020 -1.298 -7.944 1.00 0.23 C ATOM 508 C SER A 32 3.317 -0.227 -7.137 1.00 0.23 C ATOM 509 O SER A 32 2.254 -0.479 -6.584 1.00 0.29 O ATOM 510 CB SER A 32 3.762 -1.110 -9.435 1.00 0.25 C ATOM 511 OG SER A 32 4.437 0.026 -9.948 1.00 0.53 O ATOM 0 H SER A 32 2.604 -2.837 -7.781 1.00 0.25 H new ATOM 0 HA SER A 32 5.098 -1.229 -7.798 1.00 0.23 H new ATOM 0 HB2 SER A 32 4.086 -2.000 -9.975 1.00 0.25 H new ATOM 0 HB3 SER A 32 2.691 -1.005 -9.608 1.00 0.25 H new ATOM 0 HG SER A 32 4.249 0.113 -10.906 1.00 0.53 H new ATOM 517 N ILE A 33 3.882 0.960 -7.077 1.00 0.23 N ATOM 518 CA ILE A 33 3.467 1.924 -6.071 1.00 0.25 C ATOM 519 C ILE A 33 3.855 3.345 -6.433 1.00 0.25 C ATOM 520 O ILE A 33 4.955 3.590 -6.924 1.00 0.32 O ATOM 521 CB ILE A 33 4.141 1.566 -4.724 1.00 0.36 C ATOM 522 CG1 ILE A 33 4.157 2.770 -3.766 1.00 0.33 C ATOM 523 CG2 ILE A 33 5.550 1.058 -4.988 1.00 0.49 C ATOM 524 CD1 ILE A 33 5.226 2.698 -2.694 1.00 0.37 C ATOM 0 H ILE A 33 4.621 1.281 -7.703 1.00 0.23 H new ATOM 0 HA ILE A 33 2.380 1.877 -6.004 1.00 0.25 H new ATOM 0 HB ILE A 33 3.562 0.781 -4.238 1.00 0.36 H new ATOM 0 HG12 ILE A 33 4.302 3.680 -4.347 1.00 0.33 H new ATOM 0 HG13 ILE A 33 3.182 2.851 -3.286 1.00 0.33 H new ATOM 0 HG21 ILE A 33 6.029 0.805 -4.042 1.00 0.49 H new ATOM 0 HG22 ILE A 33 5.505 0.172 -5.621 1.00 0.49 H new ATOM 0 HG23 ILE A 33 6.128 1.833 -5.491 1.00 0.49 H new ATOM 0 HD11 ILE A 33 5.168 3.584 -2.062 1.00 0.37 H new ATOM 0 HD12 ILE A 33 5.071 1.808 -2.085 1.00 0.37 H new ATOM 0 HD13 ILE A 33 6.209 2.650 -3.163 1.00 0.37 H new ATOM 536 N GLY A 34 2.952 4.277 -6.185 1.00 0.26 N ATOM 537 CA GLY A 34 3.368 5.640 -6.003 1.00 0.43 C ATOM 538 C GLY A 34 2.596 6.275 -4.880 1.00 0.30 C ATOM 539 O GLY A 34 1.374 6.320 -4.890 1.00 0.72 O ATOM 0 H GLY A 34 1.948 4.113 -6.108 1.00 0.26 H new ATOM 0 HA2 GLY A 34 4.435 5.676 -5.785 1.00 0.43 H new ATOM 0 HA3 GLY A 34 3.211 6.201 -6.924 1.00 0.43 H new ATOM 543 N GLY A 35 3.312 6.676 -3.868 1.00 0.77 N ATOM 544 CA GLY A 35 2.734 7.479 -2.824 1.00 0.93 C ATOM 545 C GLY A 35 3.671 8.547 -2.368 1.00 0.73 C ATOM 546 O GLY A 35 4.746 8.225 -1.896 1.00 1.42 O ATOM 0 H GLY A 35 4.301 6.460 -3.742 1.00 0.77 H new ATOM 0 HA2 GLY A 35 1.811 7.934 -3.183 1.00 0.93 H new ATOM 0 HA3 GLY A 35 2.469 6.843 -1.980 1.00 0.93 H new ATOM 550 N GLY A 36 3.335 9.793 -2.521 1.00 0.40 N ATOM 551 CA GLY A 36 4.194 10.807 -1.964 1.00 0.39 C ATOM 552 C GLY A 36 3.542 12.167 -1.937 1.00 0.35 C ATOM 553 O GLY A 36 2.804 12.510 -2.860 1.00 0.48 O ATOM 0 H GLY A 36 2.504 10.129 -3.008 1.00 0.40 H new ATOM 0 HA2 GLY A 36 4.476 10.523 -0.950 1.00 0.39 H new ATOM 0 HA3 GLY A 36 5.113 10.860 -2.547 1.00 0.39 H new ATOM 557 N ILE A 37 3.803 12.952 -0.899 1.00 0.37 N ATOM 558 CA ILE A 37 3.734 14.396 -1.049 1.00 0.41 C ATOM 559 C ILE A 37 4.772 14.805 -2.072 1.00 0.38 C ATOM 560 O ILE A 37 4.700 15.866 -2.686 1.00 0.46 O ATOM 561 CB ILE A 37 4.012 15.131 0.262 1.00 0.43 C ATOM 562 CG1 ILE A 37 5.270 14.561 0.917 1.00 0.47 C ATOM 563 CG2 ILE A 37 2.804 15.040 1.179 1.00 0.52 C ATOM 564 CD1 ILE A 37 5.610 15.215 2.235 1.00 0.49 C ATOM 0 H ILE A 37 4.058 12.623 0.032 1.00 0.37 H new ATOM 0 HA ILE A 37 2.725 14.663 -1.363 1.00 0.41 H new ATOM 0 HB ILE A 37 4.190 16.187 0.060 1.00 0.43 H new ATOM 0 HG12 ILE A 37 5.135 13.491 1.075 1.00 0.47 H new ATOM 0 HG13 ILE A 37 6.111 14.679 0.234 1.00 0.47 H new ATOM 0 HG21 ILE A 37 3.013 15.567 2.110 1.00 0.52 H new ATOM 0 HG22 ILE A 37 1.942 15.494 0.691 1.00 0.52 H new ATOM 0 HG23 ILE A 37 2.589 13.993 1.395 1.00 0.52 H new ATOM 0 HD11 ILE A 37 6.513 14.762 2.644 1.00 0.49 H new ATOM 0 HD12 ILE A 37 5.777 16.281 2.080 1.00 0.49 H new ATOM 0 HD13 ILE A 37 4.786 15.075 2.934 1.00 0.49 H new ATOM 576 N ASP A 38 5.748 13.922 -2.215 1.00 0.35 N ATOM 577 CA ASP A 38 6.741 14.011 -3.256 1.00 0.40 C ATOM 578 C ASP A 38 6.069 14.053 -4.630 1.00 0.56 C ATOM 579 O ASP A 38 6.381 14.899 -5.471 1.00 0.69 O ATOM 580 CB ASP A 38 7.663 12.803 -3.193 1.00 0.39 C ATOM 581 CG ASP A 38 8.352 12.509 -4.502 1.00 0.42 C ATOM 582 OD1 ASP A 38 9.297 13.239 -4.853 1.00 0.68 O ATOM 583 OD2 ASP A 38 7.936 11.546 -5.173 1.00 0.72 O ATOM 0 H ASP A 38 5.868 13.117 -1.601 1.00 0.35 H new ATOM 0 HA ASP A 38 7.317 14.925 -3.108 1.00 0.40 H new ATOM 0 HB2 ASP A 38 8.417 12.970 -2.423 1.00 0.39 H new ATOM 0 HB3 ASP A 38 7.086 11.929 -2.890 1.00 0.39 H new ATOM 588 N GLN A 39 5.123 13.127 -4.822 1.00 0.63 N ATOM 589 CA GLN A 39 4.460 12.927 -6.108 1.00 0.85 C ATOM 590 C GLN A 39 3.723 14.187 -6.552 1.00 0.93 C ATOM 591 O GLN A 39 3.925 14.678 -7.663 1.00 1.19 O ATOM 592 CB GLN A 39 3.463 11.760 -6.020 1.00 0.98 C ATOM 593 CG GLN A 39 4.083 10.426 -5.630 1.00 1.00 C ATOM 594 CD GLN A 39 4.985 9.851 -6.706 1.00 0.60 C ATOM 595 OE1 GLN A 39 4.538 9.074 -7.542 1.00 0.78 O ATOM 596 NE2 GLN A 39 6.257 10.225 -6.701 1.00 0.82 N ATOM 0 H GLN A 39 4.798 12.497 -4.088 1.00 0.63 H new ATOM 0 HA GLN A 39 5.231 12.695 -6.843 1.00 0.85 H new ATOM 0 HB2 GLN A 39 2.691 12.013 -5.294 1.00 0.98 H new ATOM 0 HB3 GLN A 39 2.969 11.648 -6.985 1.00 0.98 H new ATOM 0 HG2 GLN A 39 4.658 10.554 -4.713 1.00 1.00 H new ATOM 0 HG3 GLN A 39 3.288 9.713 -5.411 1.00 1.00 H new ATOM 0 HE21 GLN A 39 6.595 10.874 -5.990 1.00 0.82 H new ATOM 0 HE22 GLN A 39 6.897 9.864 -7.408 1.00 0.82 H new ATOM 605 N ASP A 40 2.870 14.703 -5.678 1.00 1.05 N ATOM 606 CA ASP A 40 2.051 15.859 -6.009 1.00 1.20 C ATOM 607 C ASP A 40 1.908 16.776 -4.797 1.00 1.52 C ATOM 608 O ASP A 40 1.122 16.500 -3.881 1.00 1.82 O ATOM 609 CB ASP A 40 0.667 15.416 -6.487 1.00 1.55 C ATOM 610 CG ASP A 40 -0.094 16.533 -7.169 1.00 1.97 C ATOM 611 OD1 ASP A 40 -0.326 17.575 -6.521 1.00 2.32 O ATOM 612 OD2 ASP A 40 -0.465 16.372 -8.346 1.00 2.57 O ATOM 0 H ASP A 40 2.728 14.339 -4.736 1.00 1.05 H new ATOM 0 HA ASP A 40 2.544 16.407 -6.812 1.00 1.20 H new ATOM 0 HB2 ASP A 40 0.775 14.579 -7.177 1.00 1.55 H new ATOM 0 HB3 ASP A 40 0.090 15.054 -5.636 1.00 1.55 H new ATOM 617 N PRO A 41 2.707 17.850 -4.755 1.00 1.71 N ATOM 618 CA PRO A 41 2.635 18.869 -3.705 1.00 2.21 C ATOM 619 C PRO A 41 1.506 19.861 -3.942 1.00 2.39 C ATOM 620 O PRO A 41 1.094 20.584 -3.029 1.00 2.82 O ATOM 621 CB PRO A 41 3.990 19.591 -3.806 1.00 2.49 C ATOM 622 CG PRO A 41 4.788 18.832 -4.822 1.00 2.20 C ATOM 623 CD PRO A 41 3.789 18.143 -5.702 1.00 1.69 C ATOM 0 HA PRO A 41 2.440 18.426 -2.728 1.00 2.21 H new ATOM 0 HB2 PRO A 41 3.857 20.629 -4.111 1.00 2.49 H new ATOM 0 HB3 PRO A 41 4.498 19.604 -2.842 1.00 2.49 H new ATOM 0 HG2 PRO A 41 5.421 19.504 -5.402 1.00 2.20 H new ATOM 0 HG3 PRO A 41 5.447 18.110 -4.340 1.00 2.20 H new ATOM 0 HD2 PRO A 41 3.455 18.782 -6.520 1.00 1.69 H new ATOM 0 HD3 PRO A 41 4.196 17.237 -6.151 1.00 1.69 H new ATOM 631 N SER A 42 1.013 19.883 -5.171 1.00 2.18 N ATOM 632 CA SER A 42 -0.022 20.815 -5.578 1.00 2.37 C ATOM 633 C SER A 42 -1.332 20.465 -4.890 1.00 2.72 C ATOM 634 O SER A 42 -1.976 21.316 -4.272 1.00 3.26 O ATOM 635 CB SER A 42 -0.185 20.758 -7.099 1.00 2.18 C ATOM 636 OG SER A 42 -0.941 21.858 -7.589 1.00 2.34 O ATOM 0 H SER A 42 1.321 19.254 -5.913 1.00 2.18 H new ATOM 0 HA SER A 42 0.261 21.827 -5.288 1.00 2.37 H new ATOM 0 HB2 SER A 42 0.798 20.753 -7.570 1.00 2.18 H new ATOM 0 HB3 SER A 42 -0.677 19.826 -7.378 1.00 2.18 H new ATOM 0 HG SER A 42 -1.879 21.592 -7.689 1.00 2.34 H new ATOM 642 N GLN A 43 -1.712 19.202 -4.990 1.00 2.58 N ATOM 643 CA GLN A 43 -2.922 18.718 -4.358 1.00 3.01 C ATOM 644 C GLN A 43 -2.645 18.285 -2.923 1.00 3.16 C ATOM 645 O GLN A 43 -2.740 17.105 -2.585 1.00 3.55 O ATOM 646 CB GLN A 43 -3.536 17.563 -5.154 1.00 3.10 C ATOM 647 CG GLN A 43 -4.365 18.003 -6.356 1.00 3.27 C ATOM 648 CD GLN A 43 -3.541 18.640 -7.457 1.00 3.19 C ATOM 649 OE1 GLN A 43 -3.356 19.857 -7.491 1.00 3.88 O ATOM 650 NE2 GLN A 43 -3.045 17.826 -8.368 1.00 2.74 N ATOM 0 H GLN A 43 -1.194 18.491 -5.507 1.00 2.58 H new ATOM 0 HA GLN A 43 -3.640 19.538 -4.341 1.00 3.01 H new ATOM 0 HB2 GLN A 43 -2.736 16.908 -5.499 1.00 3.10 H new ATOM 0 HB3 GLN A 43 -4.166 16.973 -4.489 1.00 3.10 H new ATOM 0 HG2 GLN A 43 -4.891 17.138 -6.761 1.00 3.27 H new ATOM 0 HG3 GLN A 43 -5.124 18.712 -6.024 1.00 3.27 H new ATOM 0 HE21 GLN A 43 -3.220 16.823 -8.305 1.00 2.74 H new ATOM 0 HE22 GLN A 43 -2.486 18.199 -9.135 1.00 2.74 H new ATOM 659 N ASN A 44 -2.285 19.252 -2.092 1.00 3.05 N ATOM 660 CA ASN A 44 -2.102 19.024 -0.663 1.00 3.30 C ATOM 661 C ASN A 44 -2.232 20.346 0.092 1.00 3.09 C ATOM 662 O ASN A 44 -1.320 20.777 0.793 1.00 3.14 O ATOM 663 CB ASN A 44 -0.748 18.353 -0.367 1.00 3.86 C ATOM 664 CG ASN A 44 -0.514 18.118 1.120 1.00 4.45 C ATOM 665 OD1 ASN A 44 -1.453 18.054 1.907 1.00 4.63 O ATOM 666 ND2 ASN A 44 0.744 17.978 1.507 1.00 5.14 N ATOM 0 H ASN A 44 -2.112 20.213 -2.386 1.00 3.05 H new ATOM 0 HA ASN A 44 -2.881 18.342 -0.321 1.00 3.30 H new ATOM 0 HB2 ASN A 44 -0.699 17.399 -0.892 1.00 3.86 H new ATOM 0 HB3 ASN A 44 0.054 18.976 -0.762 1.00 3.86 H new ATOM 0 HD21 ASN A 44 0.960 17.810 2.490 1.00 5.14 H new ATOM 0 HD22 ASN A 44 1.498 18.038 0.822 1.00 5.14 H new ATOM 673 N PRO A 45 -3.357 21.049 -0.088 1.00 3.14 N ATOM 674 CA PRO A 45 -3.645 22.260 0.642 1.00 3.25 C ATOM 675 C PRO A 45 -4.687 22.029 1.736 1.00 3.09 C ATOM 676 O PRO A 45 -5.041 22.944 2.481 1.00 3.46 O ATOM 677 CB PRO A 45 -4.208 23.135 -0.476 1.00 3.62 C ATOM 678 CG PRO A 45 -4.890 22.186 -1.423 1.00 3.71 C ATOM 679 CD PRO A 45 -4.431 20.790 -1.061 1.00 3.49 C ATOM 0 HA PRO A 45 -2.788 22.681 1.168 1.00 3.25 H new ATOM 0 HB2 PRO A 45 -4.910 23.870 -0.083 1.00 3.62 H new ATOM 0 HB3 PRO A 45 -3.415 23.689 -0.978 1.00 3.62 H new ATOM 0 HG2 PRO A 45 -5.973 22.269 -1.338 1.00 3.71 H new ATOM 0 HG3 PRO A 45 -4.632 22.421 -2.456 1.00 3.71 H new ATOM 0 HD2 PRO A 45 -5.237 20.198 -0.628 1.00 3.49 H new ATOM 0 HD3 PRO A 45 -4.067 20.244 -1.931 1.00 3.49 H new ATOM 687 N PHE A 46 -5.158 20.788 1.832 1.00 2.85 N ATOM 688 CA PHE A 46 -6.260 20.439 2.721 1.00 2.97 C ATOM 689 C PHE A 46 -6.402 18.924 2.797 1.00 2.64 C ATOM 690 O PHE A 46 -7.449 18.395 3.156 1.00 2.98 O ATOM 691 CB PHE A 46 -7.554 21.049 2.177 1.00 3.62 C ATOM 692 CG PHE A 46 -8.675 21.135 3.178 1.00 4.08 C ATOM 693 CD1 PHE A 46 -8.591 21.987 4.266 1.00 4.79 C ATOM 694 CD2 PHE A 46 -9.813 20.357 3.028 1.00 4.19 C ATOM 695 CE1 PHE A 46 -9.623 22.065 5.183 1.00 5.53 C ATOM 696 CE2 PHE A 46 -10.843 20.429 3.944 1.00 4.97 C ATOM 697 CZ PHE A 46 -10.747 21.285 5.021 1.00 5.62 C ATOM 0 H PHE A 46 -4.788 20.001 1.299 1.00 2.85 H new ATOM 0 HA PHE A 46 -6.060 20.828 3.719 1.00 2.97 H new ATOM 0 HB2 PHE A 46 -7.340 22.051 1.804 1.00 3.62 H new ATOM 0 HB3 PHE A 46 -7.889 20.457 1.325 1.00 3.62 H new ATOM 0 HD1 PHE A 46 -7.710 22.597 4.400 1.00 4.79 H new ATOM 0 HD2 PHE A 46 -9.894 19.687 2.185 1.00 4.19 H new ATOM 0 HE1 PHE A 46 -9.548 22.737 6.025 1.00 5.53 H new ATOM 0 HE2 PHE A 46 -11.723 19.816 3.817 1.00 4.97 H new ATOM 0 HZ PHE A 46 -11.553 21.344 5.737 1.00 5.62 H new ATOM 707 N SER A 47 -5.331 18.228 2.486 1.00 2.52 N ATOM 708 CA SER A 47 -5.373 16.815 2.336 1.00 2.56 C ATOM 709 C SER A 47 -4.367 16.199 3.291 1.00 3.05 C ATOM 710 O SER A 47 -3.168 16.431 3.204 1.00 3.73 O ATOM 711 CB SER A 47 -5.071 16.465 0.888 1.00 3.07 C ATOM 712 OG SER A 47 -5.732 17.353 -0.007 1.00 3.77 O ATOM 0 H SER A 47 -4.410 18.640 2.332 1.00 2.52 H new ATOM 0 HA SER A 47 -6.359 16.419 2.577 1.00 2.56 H new ATOM 0 HB2 SER A 47 -3.995 16.508 0.718 1.00 3.07 H new ATOM 0 HB3 SER A 47 -5.385 15.441 0.686 1.00 3.07 H new ATOM 0 HG SER A 47 -5.518 17.105 -0.931 1.00 3.77 H new ATOM 718 N GLU A 48 -4.886 15.454 4.225 1.00 3.23 N ATOM 719 CA GLU A 48 -4.116 14.969 5.354 1.00 4.12 C ATOM 720 C GLU A 48 -3.701 13.530 5.184 1.00 4.20 C ATOM 721 O GLU A 48 -2.575 13.133 5.479 1.00 5.09 O ATOM 722 CB GLU A 48 -5.022 15.020 6.552 1.00 4.52 C ATOM 723 CG GLU A 48 -4.558 15.944 7.667 1.00 5.60 C ATOM 724 CD GLU A 48 -5.393 15.795 8.925 1.00 6.36 C ATOM 725 OE1 GLU A 48 -6.407 16.513 9.064 1.00 6.78 O ATOM 726 OE2 GLU A 48 -5.040 14.961 9.786 1.00 6.76 O ATOM 0 H GLU A 48 -5.862 15.159 4.232 1.00 3.23 H new ATOM 0 HA GLU A 48 -3.220 15.581 5.452 1.00 4.12 H new ATOM 0 HB2 GLU A 48 -6.013 15.336 6.227 1.00 4.52 H new ATOM 0 HB3 GLU A 48 -5.125 14.012 6.954 1.00 4.52 H new ATOM 0 HG2 GLU A 48 -3.514 15.733 7.900 1.00 5.60 H new ATOM 0 HG3 GLU A 48 -4.605 16.977 7.323 1.00 5.60 H new ATOM 733 N ASP A 49 -4.648 12.769 4.702 1.00 3.44 N ATOM 734 CA ASP A 49 -4.630 11.307 4.881 1.00 3.59 C ATOM 735 C ASP A 49 -5.081 10.583 3.629 1.00 2.68 C ATOM 736 O ASP A 49 -4.512 10.740 2.560 1.00 2.54 O ATOM 737 CB ASP A 49 -5.594 10.891 6.001 1.00 4.14 C ATOM 738 CG ASP A 49 -5.390 11.611 7.314 1.00 4.88 C ATOM 739 OD1 ASP A 49 -4.370 11.371 7.980 1.00 5.47 O ATOM 740 OD2 ASP A 49 -6.294 12.377 7.705 1.00 5.10 O ATOM 0 H ASP A 49 -5.450 13.120 4.179 1.00 3.44 H new ATOM 0 HA ASP A 49 -3.601 11.040 5.121 1.00 3.59 H new ATOM 0 HB2 ASP A 49 -6.616 11.063 5.664 1.00 4.14 H new ATOM 0 HB3 ASP A 49 -5.490 9.819 6.171 1.00 4.14 H new ATOM 745 N LYS A 50 -6.137 9.781 3.798 1.00 2.41 N ATOM 746 CA LYS A 50 -6.838 9.168 2.689 1.00 1.76 C ATOM 747 C LYS A 50 -7.508 10.267 1.896 1.00 1.67 C ATOM 748 O LYS A 50 -7.865 10.092 0.732 1.00 2.01 O ATOM 749 CB LYS A 50 -7.900 8.176 3.183 1.00 1.83 C ATOM 750 CG LYS A 50 -7.343 6.911 3.832 1.00 1.31 C ATOM 751 CD LYS A 50 -6.827 7.152 5.250 1.00 1.63 C ATOM 752 CE LYS A 50 -7.958 7.447 6.225 1.00 2.28 C ATOM 753 NZ LYS A 50 -7.457 7.859 7.565 1.00 3.07 N ATOM 0 H LYS A 50 -6.522 9.545 4.712 1.00 2.41 H new ATOM 0 HA LYS A 50 -6.127 8.617 2.074 1.00 1.76 H new ATOM 0 HB2 LYS A 50 -8.544 8.683 3.902 1.00 1.83 H new ATOM 0 HB3 LYS A 50 -8.528 7.888 2.340 1.00 1.83 H new ATOM 0 HG2 LYS A 50 -8.121 6.148 3.858 1.00 1.31 H new ATOM 0 HG3 LYS A 50 -6.533 6.519 3.217 1.00 1.31 H new ATOM 0 HD2 LYS A 50 -6.275 6.275 5.589 1.00 1.63 H new ATOM 0 HD3 LYS A 50 -6.126 7.987 5.244 1.00 1.63 H new ATOM 0 HE2 LYS A 50 -8.589 8.237 5.817 1.00 2.28 H new ATOM 0 HE3 LYS A 50 -8.584 6.561 6.330 1.00 2.28 H new ATOM 0 HZ1 LYS A 50 -8.263 8.049 8.194 1.00 3.07 H new ATOM 0 HZ2 LYS A 50 -6.876 7.096 7.968 1.00 3.07 H new ATOM 0 HZ3 LYS A 50 -6.881 8.720 7.471 1.00 3.07 H new ATOM 767 N THR A 51 -7.695 11.401 2.565 1.00 2.06 N ATOM 768 CA THR A 51 -8.178 12.590 1.911 1.00 2.68 C ATOM 769 C THR A 51 -7.078 13.171 1.017 1.00 2.31 C ATOM 770 O THR A 51 -7.362 13.662 -0.074 1.00 2.92 O ATOM 771 CB THR A 51 -8.701 13.654 2.906 1.00 3.69 C ATOM 772 OG1 THR A 51 -8.971 14.877 2.215 1.00 4.56 O ATOM 773 CG2 THR A 51 -7.708 13.911 4.028 1.00 3.71 C ATOM 0 H THR A 51 -7.516 11.511 3.563 1.00 2.06 H new ATOM 0 HA THR A 51 -9.032 12.302 1.298 1.00 2.68 H new ATOM 0 HB THR A 51 -9.619 13.269 3.350 1.00 3.69 H new ATOM 0 HG1 THR A 51 -9.303 15.545 2.850 1.00 4.56 H new ATOM 0 HG21 THR A 51 -8.111 14.664 4.706 1.00 3.71 H new ATOM 0 HG22 THR A 51 -7.532 12.986 4.577 1.00 3.71 H new ATOM 0 HG23 THR A 51 -6.768 14.268 3.607 1.00 3.71 H new ATOM 781 N ASP A 52 -5.824 13.148 1.494 1.00 1.72 N ATOM 782 CA ASP A 52 -4.683 13.334 0.581 1.00 1.38 C ATOM 783 C ASP A 52 -4.477 12.071 -0.255 1.00 1.45 C ATOM 784 O ASP A 52 -5.328 11.179 -0.303 1.00 2.13 O ATOM 785 CB ASP A 52 -3.373 13.642 1.332 1.00 1.44 C ATOM 786 CG ASP A 52 -2.312 14.264 0.422 1.00 2.02 C ATOM 787 OD1 ASP A 52 -2.385 15.486 0.158 1.00 2.34 O ATOM 788 OD2 ASP A 52 -1.376 13.560 0.009 1.00 2.60 O ATOM 0 H ASP A 52 -5.577 13.007 2.474 1.00 1.72 H new ATOM 0 HA ASP A 52 -4.921 14.187 -0.054 1.00 1.38 H new ATOM 0 HB2 ASP A 52 -3.582 14.321 2.159 1.00 1.44 H new ATOM 0 HB3 ASP A 52 -2.981 12.722 1.766 1.00 1.44 H new ATOM 793 N LYS A 53 -3.336 11.998 -0.894 1.00 1.32 N ATOM 794 CA LYS A 53 -2.974 10.858 -1.689 1.00 1.78 C ATOM 795 C LYS A 53 -2.126 9.919 -0.847 1.00 1.57 C ATOM 796 O LYS A 53 -2.265 8.698 -0.934 1.00 2.37 O ATOM 797 CB LYS A 53 -2.228 11.333 -2.936 1.00 2.30 C ATOM 798 CG LYS A 53 -0.857 11.941 -2.658 1.00 2.22 C ATOM 799 CD LYS A 53 -0.494 12.998 -3.689 1.00 2.32 C ATOM 800 CE LYS A 53 -1.317 14.265 -3.504 1.00 2.67 C ATOM 801 NZ LYS A 53 -0.940 15.015 -2.273 1.00 3.48 N ATOM 0 H LYS A 53 -2.630 12.734 -0.875 1.00 1.32 H new ATOM 0 HA LYS A 53 -3.861 10.314 -2.015 1.00 1.78 H new ATOM 0 HB2 LYS A 53 -2.107 10.489 -3.615 1.00 2.30 H new ATOM 0 HB3 LYS A 53 -2.841 12.072 -3.452 1.00 2.30 H new ATOM 0 HG2 LYS A 53 -0.850 12.385 -1.663 1.00 2.22 H new ATOM 0 HG3 LYS A 53 -0.102 11.155 -2.661 1.00 2.22 H new ATOM 0 HD2 LYS A 53 0.566 13.237 -3.608 1.00 2.32 H new ATOM 0 HD3 LYS A 53 -0.656 12.601 -4.691 1.00 2.32 H new ATOM 0 HE2 LYS A 53 -1.186 14.910 -4.373 1.00 2.67 H new ATOM 0 HE3 LYS A 53 -2.374 14.004 -3.457 1.00 2.67 H new ATOM 0 HZ1 LYS A 53 -1.715 15.654 -2.005 1.00 3.48 H new ATOM 0 HZ2 LYS A 53 -0.761 14.344 -1.499 1.00 3.48 H new ATOM 0 HZ3 LYS A 53 -0.080 15.571 -2.455 1.00 3.48 H new ATOM 815 N GLY A 54 -1.269 10.511 -0.014 1.00 0.78 N ATOM 816 CA GLY A 54 -0.426 9.739 0.871 1.00 0.65 C ATOM 817 C GLY A 54 0.516 8.857 0.097 1.00 0.53 C ATOM 818 O GLY A 54 1.068 9.281 -0.932 1.00 0.57 O ATOM 0 H GLY A 54 -1.148 11.521 0.059 1.00 0.78 H new ATOM 0 HA2 GLY A 54 0.145 10.411 1.511 1.00 0.65 H new ATOM 0 HA3 GLY A 54 -1.046 9.126 1.525 1.00 0.65 H new ATOM 822 N ILE A 55 0.716 7.638 0.572 1.00 0.48 N ATOM 823 CA ILE A 55 1.436 6.663 -0.203 1.00 0.40 C ATOM 824 C ILE A 55 0.431 5.617 -0.625 1.00 0.33 C ATOM 825 O ILE A 55 -0.429 5.290 0.156 1.00 0.43 O ATOM 826 CB ILE A 55 2.625 6.048 0.587 1.00 0.46 C ATOM 827 CG1 ILE A 55 3.847 6.975 0.532 1.00 0.51 C ATOM 828 CG2 ILE A 55 3.001 4.684 0.027 1.00 0.45 C ATOM 829 CD1 ILE A 55 3.702 8.309 1.239 1.00 0.54 C ATOM 0 H ILE A 55 0.391 7.311 1.482 1.00 0.48 H new ATOM 0 HA ILE A 55 1.892 7.130 -1.076 1.00 0.40 H new ATOM 0 HB ILE A 55 2.309 5.931 1.623 1.00 0.46 H new ATOM 0 HG12 ILE A 55 4.698 6.448 0.964 1.00 0.51 H new ATOM 0 HG13 ILE A 55 4.087 7.165 -0.514 1.00 0.51 H new ATOM 0 HG21 ILE A 55 3.835 4.274 0.596 1.00 0.45 H new ATOM 0 HG22 ILE A 55 2.146 4.012 0.101 1.00 0.45 H new ATOM 0 HG23 ILE A 55 3.291 4.787 -1.019 1.00 0.45 H new ATOM 0 HD11 ILE A 55 4.625 8.879 1.134 1.00 0.54 H new ATOM 0 HD12 ILE A 55 2.878 8.868 0.795 1.00 0.54 H new ATOM 0 HD13 ILE A 55 3.498 8.140 2.296 1.00 0.54 H new ATOM 841 N TYR A 56 0.457 5.144 -1.864 1.00 0.25 N ATOM 842 CA TYR A 56 -0.560 4.204 -2.283 1.00 0.23 C ATOM 843 C TYR A 56 -0.047 3.294 -3.375 1.00 0.18 C ATOM 844 O TYR A 56 0.801 3.669 -4.183 1.00 0.28 O ATOM 845 CB TYR A 56 -1.870 4.917 -2.682 1.00 0.36 C ATOM 846 CG TYR A 56 -1.719 6.101 -3.604 1.00 0.32 C ATOM 847 CD1 TYR A 56 -0.879 7.149 -3.274 1.00 0.67 C ATOM 848 CD2 TYR A 56 -2.400 6.158 -4.808 1.00 0.83 C ATOM 849 CE1 TYR A 56 -0.727 8.232 -4.121 1.00 0.90 C ATOM 850 CE2 TYR A 56 -2.259 7.229 -5.662 1.00 1.14 C ATOM 851 CZ TYR A 56 -1.463 8.294 -5.290 1.00 1.01 C ATOM 852 OH TYR A 56 -1.268 9.345 -6.162 1.00 1.42 O ATOM 0 H TYR A 56 1.149 5.389 -2.572 1.00 0.25 H new ATOM 0 HA TYR A 56 -0.800 3.573 -1.427 1.00 0.23 H new ATOM 0 HB2 TYR A 56 -2.526 4.190 -3.160 1.00 0.36 H new ATOM 0 HB3 TYR A 56 -2.372 5.250 -1.773 1.00 0.36 H new ATOM 0 HD1 TYR A 56 -0.334 7.121 -2.342 1.00 0.67 H new ATOM 0 HD2 TYR A 56 -3.056 5.345 -5.083 1.00 0.83 H new ATOM 0 HE1 TYR A 56 -0.037 9.025 -3.871 1.00 0.90 H new ATOM 0 HE2 TYR A 56 -2.767 7.236 -6.615 1.00 1.14 H new ATOM 0 HH TYR A 56 -1.860 9.242 -6.936 1.00 1.42 H new ATOM 862 N VAL A 57 -0.543 2.078 -3.355 1.00 0.18 N ATOM 863 CA VAL A 57 -0.052 1.048 -4.228 1.00 0.17 C ATOM 864 C VAL A 57 -0.786 1.096 -5.552 1.00 0.16 C ATOM 865 O VAL A 57 -1.993 1.339 -5.592 1.00 0.22 O ATOM 866 CB VAL A 57 -0.168 -0.339 -3.561 1.00 0.22 C ATOM 867 CG1 VAL A 57 -1.601 -0.807 -3.424 1.00 0.51 C ATOM 868 CG2 VAL A 57 0.656 -1.369 -4.296 1.00 0.58 C ATOM 0 H VAL A 57 -1.295 1.780 -2.734 1.00 0.18 H new ATOM 0 HA VAL A 57 1.006 1.224 -4.422 1.00 0.17 H new ATOM 0 HB VAL A 57 0.229 -0.226 -2.552 1.00 0.22 H new ATOM 0 HG11 VAL A 57 -1.620 -1.788 -2.948 1.00 0.51 H new ATOM 0 HG12 VAL A 57 -2.159 -0.097 -2.813 1.00 0.51 H new ATOM 0 HG13 VAL A 57 -2.058 -0.874 -4.411 1.00 0.51 H new ATOM 0 HG21 VAL A 57 0.554 -2.336 -3.803 1.00 0.58 H new ATOM 0 HG22 VAL A 57 0.306 -1.448 -5.325 1.00 0.58 H new ATOM 0 HG23 VAL A 57 1.704 -1.068 -4.291 1.00 0.58 H new ATOM 878 N THR A 58 -0.031 0.896 -6.623 1.00 0.17 N ATOM 879 CA THR A 58 -0.540 1.031 -7.975 1.00 0.24 C ATOM 880 C THR A 58 -0.617 -0.332 -8.675 1.00 0.38 C ATOM 881 O THR A 58 -1.239 -0.475 -9.721 1.00 1.11 O ATOM 882 CB THR A 58 0.360 1.986 -8.787 1.00 0.39 C ATOM 883 OG1 THR A 58 0.545 3.215 -8.067 1.00 0.83 O ATOM 884 CG2 THR A 58 -0.245 2.276 -10.152 1.00 0.69 C ATOM 0 H THR A 58 0.954 0.635 -6.576 1.00 0.17 H new ATOM 0 HA THR A 58 -1.547 1.444 -7.917 1.00 0.24 H new ATOM 0 HB THR A 58 1.325 1.502 -8.934 1.00 0.39 H new ATOM 0 HG1 THR A 58 1.118 3.816 -8.587 1.00 0.83 H new ATOM 0 HG21 THR A 58 0.409 2.951 -10.704 1.00 0.69 H new ATOM 0 HG22 THR A 58 -0.355 1.344 -10.706 1.00 0.69 H new ATOM 0 HG23 THR A 58 -1.223 2.741 -10.025 1.00 0.69 H new ATOM 892 N ARG A 59 0.032 -1.335 -8.104 1.00 0.31 N ATOM 893 CA ARG A 59 -0.067 -2.692 -8.638 1.00 0.26 C ATOM 894 C ARG A 59 0.005 -3.764 -7.566 1.00 0.26 C ATOM 895 O ARG A 59 -0.189 -3.503 -6.375 1.00 0.27 O ATOM 896 CB ARG A 59 1.040 -2.982 -9.649 1.00 0.26 C ATOM 897 CG ARG A 59 0.769 -2.463 -11.038 1.00 0.34 C ATOM 898 CD ARG A 59 1.771 -3.037 -12.027 1.00 0.45 C ATOM 899 NE ARG A 59 1.456 -2.704 -13.413 1.00 1.06 N ATOM 900 CZ ARG A 59 1.423 -3.599 -14.403 1.00 1.50 C ATOM 901 NH1 ARG A 59 1.709 -4.877 -14.159 1.00 1.52 N ATOM 902 NH2 ARG A 59 1.126 -3.210 -15.638 1.00 2.27 N ATOM 0 H ARG A 59 0.627 -1.242 -7.281 1.00 0.31 H new ATOM 0 HA ARG A 59 -1.046 -2.730 -9.115 1.00 0.26 H new ATOM 0 HB2 ARG A 59 1.970 -2.544 -9.286 1.00 0.26 H new ATOM 0 HB3 ARG A 59 1.194 -4.060 -9.701 1.00 0.26 H new ATOM 0 HG2 ARG A 59 -0.243 -2.730 -11.341 1.00 0.34 H new ATOM 0 HG3 ARG A 59 0.827 -1.375 -11.043 1.00 0.34 H new ATOM 0 HD2 ARG A 59 2.766 -2.664 -11.786 1.00 0.45 H new ATOM 0 HD3 ARG A 59 1.802 -4.121 -11.917 1.00 0.45 H new ATOM 0 HE ARG A 59 1.249 -1.731 -13.638 1.00 1.06 H new ATOM 0 HH11 ARG A 59 1.954 -5.173 -13.214 1.00 1.52 H new ATOM 0 HH12 ARG A 59 1.683 -5.559 -14.917 1.00 1.52 H new ATOM 0 HH21 ARG A 59 0.924 -2.229 -15.829 1.00 2.27 H new ATOM 0 HH22 ARG A 59 1.100 -3.893 -16.395 1.00 2.27 H new ATOM 916 N VAL A 60 0.180 -4.983 -8.077 1.00 0.26 N ATOM 917 CA VAL A 60 0.651 -6.159 -7.348 1.00 0.27 C ATOM 918 C VAL A 60 1.129 -7.160 -8.403 1.00 0.36 C ATOM 919 O VAL A 60 0.609 -7.165 -9.518 1.00 0.51 O ATOM 920 CB VAL A 60 -0.411 -6.876 -6.461 1.00 0.33 C ATOM 921 CG1 VAL A 60 0.229 -8.071 -5.777 1.00 0.83 C ATOM 922 CG2 VAL A 60 -1.015 -5.969 -5.407 1.00 0.75 C ATOM 0 H VAL A 60 -0.012 -5.186 -9.058 1.00 0.26 H new ATOM 0 HA VAL A 60 1.422 -5.814 -6.658 1.00 0.27 H new ATOM 0 HB VAL A 60 -1.219 -7.187 -7.123 1.00 0.33 H new ATOM 0 HG11 VAL A 60 -0.512 -8.574 -5.156 1.00 0.83 H new ATOM 0 HG12 VAL A 60 0.602 -8.765 -6.530 1.00 0.83 H new ATOM 0 HG13 VAL A 60 1.056 -7.733 -5.153 1.00 0.83 H new ATOM 0 HG21 VAL A 60 -1.747 -6.527 -4.823 1.00 0.75 H new ATOM 0 HG22 VAL A 60 -0.228 -5.602 -4.748 1.00 0.75 H new ATOM 0 HG23 VAL A 60 -1.505 -5.125 -5.891 1.00 0.75 H new ATOM 932 N SER A 61 2.123 -7.971 -8.085 1.00 0.45 N ATOM 933 CA SER A 61 2.559 -9.017 -8.991 1.00 0.56 C ATOM 934 C SER A 61 1.831 -10.309 -8.703 1.00 0.56 C ATOM 935 O SER A 61 1.655 -10.695 -7.547 1.00 0.64 O ATOM 936 CB SER A 61 4.057 -9.251 -8.873 1.00 0.72 C ATOM 937 OG SER A 61 4.425 -9.505 -7.530 1.00 1.65 O ATOM 0 H SER A 61 2.642 -7.925 -7.208 1.00 0.45 H new ATOM 0 HA SER A 61 2.329 -8.690 -10.005 1.00 0.56 H new ATOM 0 HB2 SER A 61 4.348 -10.094 -9.499 1.00 0.72 H new ATOM 0 HB3 SER A 61 4.596 -8.379 -9.243 1.00 0.72 H new ATOM 0 HG SER A 61 5.315 -9.914 -7.507 1.00 1.65 H new ATOM 943 N GLU A 62 1.428 -10.960 -9.765 1.00 0.68 N ATOM 944 CA GLU A 62 0.782 -12.252 -9.702 1.00 0.73 C ATOM 945 C GLU A 62 1.703 -13.301 -9.118 1.00 0.74 C ATOM 946 O GLU A 62 2.684 -13.701 -9.746 1.00 0.84 O ATOM 947 CB GLU A 62 0.392 -12.637 -11.104 1.00 0.86 C ATOM 948 CG GLU A 62 -0.876 -11.953 -11.564 1.00 1.45 C ATOM 949 CD GLU A 62 -1.084 -12.056 -13.059 1.00 1.62 C ATOM 950 OE1 GLU A 62 -1.645 -13.071 -13.520 1.00 1.75 O ATOM 951 OE2 GLU A 62 -0.704 -11.111 -13.781 1.00 1.85 O ATOM 0 H GLU A 62 1.540 -10.604 -10.714 1.00 0.68 H new ATOM 0 HA GLU A 62 -0.093 -12.191 -9.055 1.00 0.73 H new ATOM 0 HB2 GLU A 62 1.204 -12.384 -11.785 1.00 0.86 H new ATOM 0 HB3 GLU A 62 0.257 -13.717 -11.156 1.00 0.86 H new ATOM 0 HG2 GLU A 62 -1.730 -12.396 -11.051 1.00 1.45 H new ATOM 0 HG3 GLU A 62 -0.842 -10.902 -11.277 1.00 1.45 H new ATOM 958 N GLY A 63 1.395 -13.724 -7.913 1.00 0.76 N ATOM 959 CA GLY A 63 2.171 -14.758 -7.282 1.00 0.86 C ATOM 960 C GLY A 63 3.223 -14.189 -6.358 1.00 0.80 C ATOM 961 O GLY A 63 3.845 -14.919 -5.585 1.00 0.92 O ATOM 0 H GLY A 63 0.618 -13.369 -7.356 1.00 0.76 H new ATOM 0 HA2 GLY A 63 1.509 -15.415 -6.718 1.00 0.86 H new ATOM 0 HA3 GLY A 63 2.651 -15.369 -8.046 1.00 0.86 H new ATOM 965 N GLY A 64 3.423 -12.877 -6.438 1.00 0.67 N ATOM 966 CA GLY A 64 4.376 -12.224 -5.580 1.00 0.66 C ATOM 967 C GLY A 64 3.849 -12.078 -4.182 1.00 0.63 C ATOM 968 O GLY A 64 2.671 -12.306 -3.926 1.00 0.99 O ATOM 0 H GLY A 64 2.936 -12.258 -7.087 1.00 0.67 H new ATOM 0 HA2 GLY A 64 5.303 -12.797 -5.562 1.00 0.66 H new ATOM 0 HA3 GLY A 64 4.616 -11.241 -5.984 1.00 0.66 H new ATOM 972 N PRO A 65 4.693 -11.616 -3.278 1.00 0.37 N ATOM 973 CA PRO A 65 4.436 -11.690 -1.848 1.00 0.27 C ATOM 974 C PRO A 65 3.366 -10.733 -1.385 1.00 0.23 C ATOM 975 O PRO A 65 2.695 -10.953 -0.376 1.00 0.29 O ATOM 976 CB PRO A 65 5.789 -11.355 -1.255 1.00 0.32 C ATOM 977 CG PRO A 65 6.444 -10.467 -2.255 1.00 0.43 C ATOM 978 CD PRO A 65 5.966 -10.944 -3.593 1.00 0.44 C ATOM 0 HA PRO A 65 4.049 -12.662 -1.543 1.00 0.27 H new ATOM 0 HB2 PRO A 65 5.684 -10.854 -0.293 1.00 0.32 H new ATOM 0 HB3 PRO A 65 6.378 -12.256 -1.083 1.00 0.32 H new ATOM 0 HG2 PRO A 65 6.172 -9.424 -2.091 1.00 0.43 H new ATOM 0 HG3 PRO A 65 7.530 -10.529 -2.182 1.00 0.43 H new ATOM 0 HD2 PRO A 65 5.823 -10.116 -4.288 1.00 0.44 H new ATOM 0 HD3 PRO A 65 6.678 -11.628 -4.054 1.00 0.44 H new ATOM 986 N ALA A 66 3.202 -9.691 -2.146 1.00 0.22 N ATOM 987 CA ALA A 66 2.180 -8.712 -1.894 1.00 0.24 C ATOM 988 C ALA A 66 0.787 -9.318 -2.031 1.00 0.29 C ATOM 989 O ALA A 66 -0.145 -8.918 -1.341 1.00 0.36 O ATOM 990 CB ALA A 66 2.364 -7.585 -2.864 1.00 0.27 C ATOM 0 H ALA A 66 3.776 -9.493 -2.965 1.00 0.22 H new ATOM 0 HA ALA A 66 2.269 -8.346 -0.871 1.00 0.24 H new ATOM 0 HB1 ALA A 66 1.599 -6.828 -2.692 1.00 0.27 H new ATOM 0 HB2 ALA A 66 3.350 -7.142 -2.724 1.00 0.27 H new ATOM 0 HB3 ALA A 66 2.277 -7.964 -3.882 1.00 0.27 H new ATOM 996 N GLU A 67 0.654 -10.304 -2.912 1.00 0.30 N ATOM 997 CA GLU A 67 -0.628 -10.954 -3.128 1.00 0.42 C ATOM 998 C GLU A 67 -0.927 -11.868 -1.956 1.00 0.39 C ATOM 999 O GLU A 67 -2.071 -11.993 -1.511 1.00 0.45 O ATOM 1000 CB GLU A 67 -0.613 -11.750 -4.431 1.00 0.53 C ATOM 1001 CG GLU A 67 -1.862 -12.583 -4.638 1.00 0.77 C ATOM 1002 CD GLU A 67 -1.831 -13.371 -5.925 1.00 1.08 C ATOM 1003 OE1 GLU A 67 -0.889 -14.166 -6.124 1.00 1.54 O ATOM 1004 OE2 GLU A 67 -2.764 -13.213 -6.735 1.00 1.79 O ATOM 0 H GLU A 67 1.416 -10.667 -3.484 1.00 0.30 H new ATOM 0 HA GLU A 67 -1.407 -10.195 -3.205 1.00 0.42 H new ATOM 0 HB2 GLU A 67 -0.501 -11.061 -5.268 1.00 0.53 H new ATOM 0 HB3 GLU A 67 0.258 -12.405 -4.439 1.00 0.53 H new ATOM 0 HG2 GLU A 67 -1.979 -13.269 -3.799 1.00 0.77 H new ATOM 0 HG3 GLU A 67 -2.734 -11.929 -4.638 1.00 0.77 H new ATOM 1011 N ILE A 68 0.130 -12.482 -1.451 1.00 0.31 N ATOM 1012 CA ILE A 68 0.038 -13.390 -0.315 1.00 0.31 C ATOM 1013 C ILE A 68 -0.408 -12.627 0.933 1.00 0.28 C ATOM 1014 O ILE A 68 -1.254 -13.098 1.695 1.00 0.34 O ATOM 1015 CB ILE A 68 1.393 -14.104 -0.062 1.00 0.30 C ATOM 1016 CG1 ILE A 68 1.667 -15.177 -1.125 1.00 0.39 C ATOM 1017 CG2 ILE A 68 1.421 -14.737 1.319 1.00 0.32 C ATOM 1018 CD1 ILE A 68 1.579 -14.687 -2.546 1.00 0.51 C ATOM 0 H ILE A 68 1.076 -12.367 -1.815 1.00 0.31 H new ATOM 0 HA ILE A 68 -0.705 -14.154 -0.545 1.00 0.31 H new ATOM 0 HB ILE A 68 2.174 -13.346 -0.124 1.00 0.30 H new ATOM 0 HG12 ILE A 68 2.662 -15.590 -0.958 1.00 0.39 H new ATOM 0 HG13 ILE A 68 0.956 -15.993 -0.991 1.00 0.39 H new ATOM 0 HG21 ILE A 68 2.380 -15.231 1.473 1.00 0.32 H new ATOM 0 HG22 ILE A 68 1.285 -13.965 2.076 1.00 0.32 H new ATOM 0 HG23 ILE A 68 0.618 -15.470 1.400 1.00 0.32 H new ATOM 0 HD11 ILE A 68 1.787 -15.511 -3.229 1.00 0.51 H new ATOM 0 HD12 ILE A 68 0.577 -14.302 -2.737 1.00 0.51 H new ATOM 0 HD13 ILE A 68 2.309 -13.893 -2.703 1.00 0.51 H new ATOM 1030 N ALA A 69 0.155 -11.439 1.127 1.00 0.23 N ATOM 1031 CA ALA A 69 -0.248 -10.574 2.232 1.00 0.24 C ATOM 1032 C ALA A 69 -1.619 -9.965 1.962 1.00 0.31 C ATOM 1033 O ALA A 69 -2.337 -9.586 2.888 1.00 0.41 O ATOM 1034 CB ALA A 69 0.776 -9.475 2.457 1.00 0.24 C ATOM 0 H ALA A 69 0.890 -11.053 0.535 1.00 0.23 H new ATOM 0 HA ALA A 69 -0.306 -11.183 3.134 1.00 0.24 H new ATOM 0 HB1 ALA A 69 0.455 -8.843 3.285 1.00 0.24 H new ATOM 0 HB2 ALA A 69 1.742 -9.921 2.694 1.00 0.24 H new ATOM 0 HB3 ALA A 69 0.867 -8.872 1.554 1.00 0.24 H new ATOM 1040 N GLY A 70 -1.977 -9.872 0.685 1.00 0.32 N ATOM 1041 CA GLY A 70 -3.291 -9.369 0.322 1.00 0.41 C ATOM 1042 C GLY A 70 -3.303 -7.892 -0.035 1.00 0.36 C ATOM 1043 O GLY A 70 -4.010 -7.108 0.589 1.00 0.45 O ATOM 0 H GLY A 70 -1.384 -10.135 -0.102 1.00 0.32 H new ATOM 0 HA2 GLY A 70 -3.668 -9.942 -0.525 1.00 0.41 H new ATOM 0 HA3 GLY A 70 -3.977 -9.539 1.152 1.00 0.41 H new ATOM 1047 N LEU A 71 -2.518 -7.515 -1.033 1.00 0.33 N ATOM 1048 CA LEU A 71 -2.524 -6.144 -1.536 1.00 0.30 C ATOM 1049 C LEU A 71 -3.311 -6.101 -2.843 1.00 0.24 C ATOM 1050 O LEU A 71 -3.421 -7.121 -3.526 1.00 0.33 O ATOM 1051 CB LEU A 71 -1.090 -5.653 -1.728 1.00 0.38 C ATOM 1052 CG LEU A 71 -0.925 -4.146 -1.895 1.00 0.49 C ATOM 1053 CD1 LEU A 71 -1.628 -3.405 -0.768 1.00 0.89 C ATOM 1054 CD2 LEU A 71 0.550 -3.797 -1.915 1.00 0.87 C ATOM 0 H LEU A 71 -1.868 -8.137 -1.513 1.00 0.33 H new ATOM 0 HA LEU A 71 -3.005 -5.480 -0.818 1.00 0.30 H new ATOM 0 HB2 LEU A 71 -0.498 -5.972 -0.870 1.00 0.38 H new ATOM 0 HB3 LEU A 71 -0.671 -6.146 -2.605 1.00 0.38 H new ATOM 0 HG LEU A 71 -1.379 -3.841 -2.838 1.00 0.49 H new ATOM 0 HD11 LEU A 71 -1.500 -2.331 -0.903 1.00 0.89 H new ATOM 0 HD12 LEU A 71 -2.690 -3.648 -0.780 1.00 0.89 H new ATOM 0 HD13 LEU A 71 -1.198 -3.704 0.188 1.00 0.89 H new ATOM 0 HD21 LEU A 71 0.667 -2.720 -2.034 1.00 0.87 H new ATOM 0 HD22 LEU A 71 1.011 -4.111 -0.978 1.00 0.87 H new ATOM 0 HD23 LEU A 71 1.034 -4.309 -2.747 1.00 0.87 H new ATOM 1066 N GLN A 72 -3.881 -4.947 -3.193 1.00 0.24 N ATOM 1067 CA GLN A 72 -4.875 -4.914 -4.262 1.00 0.33 C ATOM 1068 C GLN A 72 -4.637 -3.871 -5.353 1.00 0.25 C ATOM 1069 O GLN A 72 -5.609 -3.347 -5.902 1.00 0.35 O ATOM 1070 CB GLN A 72 -6.226 -4.671 -3.651 1.00 0.60 C ATOM 1071 CG GLN A 72 -6.574 -5.699 -2.603 1.00 1.02 C ATOM 1072 CD GLN A 72 -7.610 -5.202 -1.630 1.00 0.79 C ATOM 1073 OE1 GLN A 72 -8.445 -5.969 -1.144 1.00 1.21 O ATOM 1074 NE2 GLN A 72 -7.530 -3.925 -1.296 1.00 0.64 N ATOM 0 H GLN A 72 -3.677 -4.045 -2.763 1.00 0.24 H new ATOM 0 HA GLN A 72 -4.801 -5.880 -4.761 1.00 0.33 H new ATOM 0 HB2 GLN A 72 -6.246 -3.678 -3.203 1.00 0.60 H new ATOM 0 HB3 GLN A 72 -6.984 -4.683 -4.434 1.00 0.60 H new ATOM 0 HG2 GLN A 72 -6.942 -6.601 -3.092 1.00 1.02 H new ATOM 0 HG3 GLN A 72 -5.672 -5.977 -2.058 1.00 1.02 H new ATOM 0 HE21 GLN A 72 -6.822 -3.329 -1.725 1.00 0.64 H new ATOM 0 HE22 GLN A 72 -8.176 -3.536 -0.609 1.00 0.64 H new ATOM 1083 N ILE A 73 -3.384 -3.578 -5.698 1.00 0.24 N ATOM 1084 CA ILE A 73 -3.103 -2.833 -6.922 1.00 0.26 C ATOM 1085 C ILE A 73 -3.561 -1.352 -6.859 1.00 0.23 C ATOM 1086 O ILE A 73 -3.327 -0.590 -7.793 1.00 0.31 O ATOM 1087 CB ILE A 73 -3.781 -3.573 -8.116 1.00 0.36 C ATOM 1088 CG1 ILE A 73 -3.316 -5.036 -8.146 1.00 0.56 C ATOM 1089 CG2 ILE A 73 -3.472 -2.912 -9.445 1.00 0.68 C ATOM 1090 CD1 ILE A 73 -3.984 -5.883 -9.206 1.00 0.77 C ATOM 0 H ILE A 73 -2.560 -3.840 -5.157 1.00 0.24 H new ATOM 0 HA ILE A 73 -2.022 -2.798 -7.055 1.00 0.26 H new ATOM 0 HB ILE A 73 -4.860 -3.524 -7.966 1.00 0.36 H new ATOM 0 HG12 ILE A 73 -2.238 -5.059 -8.306 1.00 0.56 H new ATOM 0 HG13 ILE A 73 -3.502 -5.484 -7.170 1.00 0.56 H new ATOM 0 HG21 ILE A 73 -3.965 -3.461 -10.248 1.00 0.68 H new ATOM 0 HG22 ILE A 73 -3.834 -1.884 -9.433 1.00 0.68 H new ATOM 0 HG23 ILE A 73 -2.395 -2.915 -9.611 1.00 0.68 H new ATOM 0 HD11 ILE A 73 -3.597 -6.901 -9.156 1.00 0.77 H new ATOM 0 HD12 ILE A 73 -5.061 -5.896 -9.036 1.00 0.77 H new ATOM 0 HD13 ILE A 73 -3.777 -5.464 -10.191 1.00 0.77 H new ATOM 1102 N GLY A 74 -4.135 -0.922 -5.739 1.00 0.22 N ATOM 1103 CA GLY A 74 -4.777 0.388 -5.705 1.00 0.25 C ATOM 1104 C GLY A 74 -5.253 0.775 -4.322 1.00 0.29 C ATOM 1105 O GLY A 74 -6.428 1.089 -4.120 1.00 0.37 O ATOM 0 H GLY A 74 -4.169 -1.445 -4.864 1.00 0.22 H new ATOM 0 HA2 GLY A 74 -4.076 1.140 -6.066 1.00 0.25 H new ATOM 0 HA3 GLY A 74 -5.625 0.389 -6.389 1.00 0.25 H new ATOM 1109 N ASP A 75 -4.333 0.761 -3.377 1.00 0.28 N ATOM 1110 CA ASP A 75 -4.664 0.965 -1.965 1.00 0.34 C ATOM 1111 C ASP A 75 -3.897 2.139 -1.376 1.00 0.30 C ATOM 1112 O ASP A 75 -2.718 2.317 -1.668 1.00 0.35 O ATOM 1113 CB ASP A 75 -4.357 -0.286 -1.152 1.00 0.44 C ATOM 1114 CG ASP A 75 -5.235 -1.454 -1.526 1.00 0.66 C ATOM 1115 OD1 ASP A 75 -6.433 -1.429 -1.177 1.00 0.85 O ATOM 1116 OD2 ASP A 75 -4.726 -2.394 -2.168 1.00 0.89 O ATOM 0 H ASP A 75 -3.340 0.610 -3.556 1.00 0.28 H new ATOM 0 HA ASP A 75 -5.731 1.181 -1.916 1.00 0.34 H new ATOM 0 HB2 ASP A 75 -3.312 -0.561 -1.297 1.00 0.44 H new ATOM 0 HB3 ASP A 75 -4.484 -0.066 -0.092 1.00 0.44 H new ATOM 1121 N LYS A 76 -4.551 2.901 -0.506 1.00 0.30 N ATOM 1122 CA LYS A 76 -3.926 4.044 0.152 1.00 0.28 C ATOM 1123 C LYS A 76 -3.123 3.602 1.376 1.00 0.28 C ATOM 1124 O LYS A 76 -3.679 3.328 2.426 1.00 0.36 O ATOM 1125 CB LYS A 76 -4.986 5.065 0.578 1.00 0.34 C ATOM 1126 CG LYS A 76 -4.878 6.408 -0.131 1.00 0.74 C ATOM 1127 CD LYS A 76 -5.271 6.307 -1.598 1.00 1.17 C ATOM 1128 CE LYS A 76 -5.082 7.631 -2.328 1.00 1.55 C ATOM 1129 NZ LYS A 76 -5.960 8.709 -1.788 1.00 2.20 N ATOM 0 H LYS A 76 -5.523 2.746 -0.238 1.00 0.30 H new ATOM 0 HA LYS A 76 -3.247 4.507 -0.564 1.00 0.28 H new ATOM 0 HB2 LYS A 76 -5.974 4.646 0.390 1.00 0.34 H new ATOM 0 HB3 LYS A 76 -4.907 5.227 1.653 1.00 0.34 H new ATOM 0 HG2 LYS A 76 -5.519 7.135 0.368 1.00 0.74 H new ATOM 0 HG3 LYS A 76 -3.856 6.779 -0.053 1.00 0.74 H new ATOM 0 HD2 LYS A 76 -4.671 5.536 -2.082 1.00 1.17 H new ATOM 0 HD3 LYS A 76 -6.313 5.996 -1.674 1.00 1.17 H new ATOM 0 HE2 LYS A 76 -4.040 7.941 -2.248 1.00 1.55 H new ATOM 0 HE3 LYS A 76 -5.293 7.491 -3.388 1.00 1.55 H new ATOM 0 HZ1 LYS A 76 -6.250 9.341 -2.562 1.00 2.20 H new ATOM 0 HZ2 LYS A 76 -6.804 8.284 -1.353 1.00 2.20 H new ATOM 0 HZ3 LYS A 76 -5.439 9.255 -1.072 1.00 2.20 H new ATOM 1143 N ILE A 77 -1.821 3.554 1.221 1.00 0.28 N ATOM 1144 CA ILE A 77 -0.899 3.130 2.267 1.00 0.27 C ATOM 1145 C ILE A 77 -0.698 4.219 3.312 1.00 0.25 C ATOM 1146 O ILE A 77 -0.338 5.375 2.984 1.00 0.29 O ATOM 1147 CB ILE A 77 0.464 2.784 1.664 1.00 0.31 C ATOM 1148 CG1 ILE A 77 0.307 1.684 0.622 1.00 0.36 C ATOM 1149 CG2 ILE A 77 1.472 2.387 2.743 1.00 0.38 C ATOM 1150 CD1 ILE A 77 1.182 1.897 -0.583 1.00 0.49 C ATOM 0 H ILE A 77 -1.356 3.812 0.350 1.00 0.28 H new ATOM 0 HA ILE A 77 -1.337 2.254 2.745 1.00 0.27 H new ATOM 0 HB ILE A 77 0.858 3.674 1.174 1.00 0.31 H new ATOM 0 HG12 ILE A 77 0.548 0.723 1.075 1.00 0.36 H new ATOM 0 HG13 ILE A 77 -0.735 1.635 0.305 1.00 0.36 H new ATOM 0 HG21 ILE A 77 2.428 2.148 2.277 1.00 0.38 H new ATOM 0 HG22 ILE A 77 1.604 3.215 3.440 1.00 0.38 H new ATOM 0 HG23 ILE A 77 1.103 1.515 3.282 1.00 0.38 H new ATOM 0 HD11 ILE A 77 1.029 1.083 -1.292 1.00 0.49 H new ATOM 0 HD12 ILE A 77 0.925 2.844 -1.057 1.00 0.49 H new ATOM 0 HD13 ILE A 77 2.227 1.918 -0.275 1.00 0.49 H new ATOM 1162 N MET A 78 -0.934 3.826 4.562 1.00 0.22 N ATOM 1163 CA MET A 78 -0.777 4.701 5.707 1.00 0.24 C ATOM 1164 C MET A 78 0.626 4.630 6.292 1.00 0.24 C ATOM 1165 O MET A 78 1.107 5.584 6.896 1.00 0.30 O ATOM 1166 CB MET A 78 -1.778 4.320 6.802 1.00 0.33 C ATOM 1167 CG MET A 78 -3.228 4.261 6.346 1.00 0.32 C ATOM 1168 SD MET A 78 -3.901 5.885 5.930 1.00 0.75 S ATOM 1169 CE MET A 78 -3.125 6.165 4.344 1.00 1.06 C ATOM 0 H MET A 78 -1.241 2.884 4.804 1.00 0.22 H new ATOM 0 HA MET A 78 -0.958 5.717 5.357 1.00 0.24 H new ATOM 0 HB2 MET A 78 -1.499 3.347 7.208 1.00 0.33 H new ATOM 0 HB3 MET A 78 -1.697 5.040 7.616 1.00 0.33 H new ATOM 0 HG2 MET A 78 -3.304 3.608 5.476 1.00 0.32 H new ATOM 0 HG3 MET A 78 -3.833 3.813 7.134 1.00 0.32 H new ATOM 0 HE1 MET A 78 -3.790 6.755 3.713 1.00 1.06 H new ATOM 0 HE2 MET A 78 -2.188 6.703 4.487 1.00 1.06 H new ATOM 0 HE3 MET A 78 -2.923 5.208 3.863 1.00 1.06 H new ATOM 1179 N GLN A 79 1.276 3.492 6.124 1.00 0.23 N ATOM 1180 CA GLN A 79 2.541 3.246 6.792 1.00 0.23 C ATOM 1181 C GLN A 79 3.333 2.148 6.097 1.00 0.24 C ATOM 1182 O GLN A 79 2.760 1.245 5.489 1.00 0.24 O ATOM 1183 CB GLN A 79 2.282 2.886 8.263 1.00 0.26 C ATOM 1184 CG GLN A 79 3.183 1.795 8.809 1.00 0.54 C ATOM 1185 CD GLN A 79 3.040 1.629 10.300 1.00 0.50 C ATOM 1186 OE1 GLN A 79 2.255 0.812 10.775 1.00 0.82 O ATOM 1187 NE2 GLN A 79 3.778 2.430 11.048 1.00 0.43 N ATOM 0 H GLN A 79 0.950 2.727 5.533 1.00 0.23 H new ATOM 0 HA GLN A 79 3.141 4.155 6.745 1.00 0.23 H new ATOM 0 HB2 GLN A 79 2.407 3.782 8.871 1.00 0.26 H new ATOM 0 HB3 GLN A 79 1.244 2.571 8.370 1.00 0.26 H new ATOM 0 HG2 GLN A 79 2.947 0.852 8.316 1.00 0.54 H new ATOM 0 HG3 GLN A 79 4.220 2.029 8.569 1.00 0.54 H new ATOM 0 HE21 GLN A 79 4.417 3.093 10.609 1.00 0.43 H new ATOM 0 HE22 GLN A 79 3.709 2.385 12.065 1.00 0.43 H new ATOM 1196 N VAL A 80 4.651 2.237 6.193 1.00 0.28 N ATOM 1197 CA VAL A 80 5.519 1.198 5.671 1.00 0.35 C ATOM 1198 C VAL A 80 6.639 0.899 6.652 1.00 0.31 C ATOM 1199 O VAL A 80 7.329 1.801 7.128 1.00 0.31 O ATOM 1200 CB VAL A 80 6.126 1.548 4.286 1.00 0.52 C ATOM 1201 CG1 VAL A 80 7.099 2.721 4.371 1.00 0.85 C ATOM 1202 CG2 VAL A 80 6.810 0.330 3.681 1.00 1.31 C ATOM 0 H VAL A 80 5.141 3.019 6.628 1.00 0.28 H new ATOM 0 HA VAL A 80 4.891 0.317 5.537 1.00 0.35 H new ATOM 0 HB VAL A 80 5.305 1.851 3.636 1.00 0.52 H new ATOM 0 HG11 VAL A 80 7.501 2.933 3.380 1.00 0.85 H new ATOM 0 HG12 VAL A 80 6.576 3.601 4.746 1.00 0.85 H new ATOM 0 HG13 VAL A 80 7.916 2.468 5.047 1.00 0.85 H new ATOM 0 HG21 VAL A 80 7.230 0.593 2.710 1.00 1.31 H new ATOM 0 HG22 VAL A 80 7.608 -0.005 4.343 1.00 1.31 H new ATOM 0 HG23 VAL A 80 6.082 -0.472 3.556 1.00 1.31 H new ATOM 1212 N ASN A 81 6.764 -0.371 6.991 1.00 0.34 N ATOM 1213 CA ASN A 81 7.893 -0.878 7.761 1.00 0.38 C ATOM 1214 C ASN A 81 8.033 -0.173 9.115 1.00 0.34 C ATOM 1215 O ASN A 81 9.107 -0.170 9.711 1.00 0.40 O ATOM 1216 CB ASN A 81 9.170 -0.718 6.932 1.00 0.46 C ATOM 1217 CG ASN A 81 10.264 -1.681 7.338 1.00 0.70 C ATOM 1218 OD1 ASN A 81 11.121 -1.358 8.159 1.00 1.50 O ATOM 1219 ND2 ASN A 81 10.243 -2.874 6.763 1.00 1.18 N ATOM 0 H ASN A 81 6.082 -1.087 6.740 1.00 0.34 H new ATOM 0 HA ASN A 81 7.719 -1.932 7.977 1.00 0.38 H new ATOM 0 HB2 ASN A 81 8.934 -0.869 5.879 1.00 0.46 H new ATOM 0 HB3 ASN A 81 9.537 0.303 7.034 1.00 0.46 H new ATOM 0 HD21 ASN A 81 10.956 -3.565 6.996 1.00 1.18 H new ATOM 0 HD22 ASN A 81 9.514 -3.101 6.087 1.00 1.18 H new ATOM 1226 N GLY A 82 6.945 0.405 9.614 1.00 0.32 N ATOM 1227 CA GLY A 82 7.007 1.056 10.910 1.00 0.34 C ATOM 1228 C GLY A 82 7.051 2.571 10.820 1.00 0.31 C ATOM 1229 O GLY A 82 6.998 3.253 11.844 1.00 0.38 O ATOM 0 H GLY A 82 6.035 0.435 9.153 1.00 0.32 H new ATOM 0 HA2 GLY A 82 6.140 0.759 11.500 1.00 0.34 H new ATOM 0 HA3 GLY A 82 7.890 0.705 11.443 1.00 0.34 H new ATOM 1233 N TRP A 83 7.142 3.102 9.607 1.00 0.28 N ATOM 1234 CA TRP A 83 7.086 4.546 9.411 1.00 0.28 C ATOM 1235 C TRP A 83 5.667 4.960 9.139 1.00 0.29 C ATOM 1236 O TRP A 83 4.864 4.161 8.683 1.00 0.48 O ATOM 1237 CB TRP A 83 7.968 5.006 8.252 1.00 0.30 C ATOM 1238 CG TRP A 83 9.421 4.873 8.511 1.00 0.33 C ATOM 1239 CD1 TRP A 83 10.125 3.720 8.525 1.00 0.35 C ATOM 1240 CD2 TRP A 83 10.351 5.923 8.791 1.00 0.46 C ATOM 1241 NE1 TRP A 83 11.443 3.979 8.764 1.00 0.41 N ATOM 1242 CE2 TRP A 83 11.612 5.320 8.938 1.00 0.48 C ATOM 1243 CE3 TRP A 83 10.250 7.310 8.914 1.00 0.61 C ATOM 1244 CZ2 TRP A 83 12.762 6.048 9.217 1.00 0.62 C ATOM 1245 CZ3 TRP A 83 11.395 8.036 9.193 1.00 0.77 C ATOM 1246 CH2 TRP A 83 12.638 7.400 9.335 1.00 0.76 C ATOM 0 H TRP A 83 7.254 2.560 8.750 1.00 0.28 H new ATOM 0 HA TRP A 83 7.458 5.014 10.323 1.00 0.28 H new ATOM 0 HB2 TRP A 83 7.713 4.428 7.364 1.00 0.30 H new ATOM 0 HB3 TRP A 83 7.743 6.049 8.029 1.00 0.30 H new ATOM 0 HD1 TRP A 83 9.706 2.737 8.370 1.00 0.35 H new ATOM 0 HE1 TRP A 83 12.184 3.280 8.806 1.00 0.41 H new ATOM 0 HE3 TRP A 83 9.298 7.806 8.794 1.00 0.61 H new ATOM 0 HZ2 TRP A 83 13.718 5.561 9.336 1.00 0.62 H new ATOM 0 HZ3 TRP A 83 11.331 9.108 9.303 1.00 0.77 H new ATOM 0 HH2 TRP A 83 13.515 7.995 9.542 1.00 0.76 H new ATOM 1257 N ASP A 84 5.371 6.207 9.403 1.00 0.39 N ATOM 1258 CA ASP A 84 4.016 6.708 9.269 1.00 0.41 C ATOM 1259 C ASP A 84 3.921 7.698 8.120 1.00 0.40 C ATOM 1260 O ASP A 84 4.316 8.862 8.250 1.00 0.59 O ATOM 1261 CB ASP A 84 3.595 7.359 10.577 1.00 0.62 C ATOM 1262 CG ASP A 84 2.142 7.791 10.580 1.00 1.16 C ATOM 1263 OD1 ASP A 84 1.275 6.960 10.923 1.00 1.89 O ATOM 1264 OD2 ASP A 84 1.863 8.952 10.217 1.00 1.28 O ATOM 0 H ASP A 84 6.050 6.902 9.714 1.00 0.39 H new ATOM 0 HA ASP A 84 3.344 5.879 9.047 1.00 0.41 H new ATOM 0 HB2 ASP A 84 3.762 6.659 11.396 1.00 0.62 H new ATOM 0 HB3 ASP A 84 4.227 8.227 10.765 1.00 0.62 H new ATOM 1269 N MET A 85 3.448 7.225 6.977 1.00 0.36 N ATOM 1270 CA MET A 85 3.341 8.072 5.803 1.00 0.46 C ATOM 1271 C MET A 85 1.897 8.363 5.439 1.00 0.36 C ATOM 1272 O MET A 85 1.213 7.553 4.818 1.00 0.56 O ATOM 1273 CB MET A 85 4.076 7.471 4.601 1.00 0.76 C ATOM 1274 CG MET A 85 4.053 5.954 4.533 1.00 0.49 C ATOM 1275 SD MET A 85 5.228 5.197 5.671 1.00 1.01 S ATOM 1276 CE MET A 85 6.753 5.987 5.152 1.00 0.44 C ATOM 0 H MET A 85 3.134 6.264 6.839 1.00 0.36 H new ATOM 0 HA MET A 85 3.820 9.016 6.063 1.00 0.46 H new ATOM 0 HB2 MET A 85 3.634 7.868 3.687 1.00 0.76 H new ATOM 0 HB3 MET A 85 5.114 7.804 4.624 1.00 0.76 H new ATOM 0 HG2 MET A 85 3.049 5.598 4.762 1.00 0.49 H new ATOM 0 HG3 MET A 85 4.280 5.635 3.516 1.00 0.49 H new ATOM 0 HE1 MET A 85 7.589 5.306 5.314 1.00 0.44 H new ATOM 0 HE2 MET A 85 6.690 6.239 4.093 1.00 0.44 H new ATOM 0 HE3 MET A 85 6.908 6.896 5.733 1.00 0.44 H new ATOM 1286 N THR A 86 1.463 9.534 5.824 1.00 0.31 N ATOM 1287 CA THR A 86 0.244 10.120 5.311 1.00 0.35 C ATOM 1288 C THR A 86 0.626 11.178 4.308 1.00 0.46 C ATOM 1289 O THR A 86 -0.032 11.390 3.297 1.00 1.05 O ATOM 1290 CB THR A 86 -0.566 10.770 6.437 1.00 0.36 C ATOM 1291 OG1 THR A 86 0.307 11.561 7.264 1.00 0.47 O ATOM 1292 CG2 THR A 86 -1.246 9.715 7.275 1.00 0.37 C ATOM 0 H THR A 86 1.947 10.116 6.508 1.00 0.31 H new ATOM 0 HA THR A 86 -0.368 9.342 4.854 1.00 0.35 H new ATOM 0 HB THR A 86 -1.330 11.410 5.996 1.00 0.36 H new ATOM 0 HG1 THR A 86 -0.212 11.978 7.983 1.00 0.47 H new ATOM 0 HG21 THR A 86 -1.817 10.194 8.070 1.00 0.37 H new ATOM 0 HG22 THR A 86 -1.918 9.130 6.648 1.00 0.37 H new ATOM 0 HG23 THR A 86 -0.495 9.058 7.713 1.00 0.37 H new ATOM 1300 N MET A 87 1.726 11.832 4.629 1.00 0.56 N ATOM 1301 CA MET A 87 2.283 12.876 3.808 1.00 0.65 C ATOM 1302 C MET A 87 3.790 12.778 3.835 1.00 0.76 C ATOM 1303 O MET A 87 4.460 13.509 4.561 1.00 1.49 O ATOM 1304 CB MET A 87 1.843 14.254 4.304 1.00 0.84 C ATOM 1305 CG MET A 87 0.950 14.196 5.537 1.00 0.97 C ATOM 1306 SD MET A 87 0.508 15.819 6.188 1.00 1.36 S ATOM 1307 CE MET A 87 -0.417 15.331 7.642 1.00 1.62 C ATOM 0 H MET A 87 2.260 11.647 5.478 1.00 0.56 H new ATOM 0 HA MET A 87 1.921 12.751 2.787 1.00 0.65 H new ATOM 0 HB2 MET A 87 2.727 14.849 4.532 1.00 0.84 H new ATOM 0 HB3 MET A 87 1.311 14.768 3.503 1.00 0.84 H new ATOM 0 HG2 MET A 87 0.038 13.653 5.289 1.00 0.97 H new ATOM 0 HG3 MET A 87 1.458 13.628 6.316 1.00 0.97 H new ATOM 0 HE1 MET A 87 -0.767 16.220 8.166 1.00 1.62 H new ATOM 0 HE2 MET A 87 -1.273 14.726 7.343 1.00 1.62 H new ATOM 0 HE3 MET A 87 0.225 14.749 8.303 1.00 1.62 H new ATOM 1317 N VAL A 88 4.315 11.822 3.100 1.00 0.40 N ATOM 1318 CA VAL A 88 5.735 11.680 2.955 1.00 0.45 C ATOM 1319 C VAL A 88 6.048 11.358 1.500 1.00 0.36 C ATOM 1320 O VAL A 88 5.165 10.923 0.772 1.00 0.39 O ATOM 1321 CB VAL A 88 6.255 10.596 3.916 1.00 0.60 C ATOM 1322 CG1 VAL A 88 6.575 9.289 3.209 1.00 0.72 C ATOM 1323 CG2 VAL A 88 7.439 11.121 4.682 1.00 1.09 C ATOM 0 H VAL A 88 3.767 11.128 2.591 1.00 0.40 H new ATOM 0 HA VAL A 88 6.243 12.608 3.217 1.00 0.45 H new ATOM 0 HB VAL A 88 5.456 10.362 4.619 1.00 0.60 H new ATOM 0 HG11 VAL A 88 6.937 8.562 3.935 1.00 0.72 H new ATOM 0 HG12 VAL A 88 5.675 8.905 2.729 1.00 0.72 H new ATOM 0 HG13 VAL A 88 7.343 9.462 2.455 1.00 0.72 H new ATOM 0 HG21 VAL A 88 7.804 10.350 5.361 1.00 1.09 H new ATOM 0 HG22 VAL A 88 8.231 11.395 3.985 1.00 1.09 H new ATOM 0 HG23 VAL A 88 7.141 11.999 5.256 1.00 1.09 H new ATOM 1333 N THR A 89 7.263 11.634 1.056 1.00 0.31 N ATOM 1334 CA THR A 89 7.638 11.425 -0.322 1.00 0.28 C ATOM 1335 C THR A 89 7.564 9.951 -0.747 1.00 0.26 C ATOM 1336 O THR A 89 7.663 9.038 0.077 1.00 0.26 O ATOM 1337 CB THR A 89 9.047 11.990 -0.549 1.00 0.31 C ATOM 1338 OG1 THR A 89 9.979 11.303 0.287 1.00 0.32 O ATOM 1339 CG2 THR A 89 9.052 13.477 -0.218 1.00 0.35 C ATOM 0 H THR A 89 8.010 12.007 1.642 1.00 0.31 H new ATOM 0 HA THR A 89 6.918 11.952 -0.948 1.00 0.28 H new ATOM 0 HB THR A 89 9.334 11.851 -1.591 1.00 0.31 H new ATOM 0 HG1 THR A 89 10.878 11.664 0.140 1.00 0.32 H new ATOM 0 HG21 THR A 89 10.051 13.882 -0.378 1.00 0.35 H new ATOM 0 HG22 THR A 89 8.343 13.996 -0.863 1.00 0.35 H new ATOM 0 HG23 THR A 89 8.766 13.619 0.824 1.00 0.35 H new ATOM 1347 N HIS A 90 7.374 9.743 -2.049 1.00 0.26 N ATOM 1348 CA HIS A 90 7.293 8.400 -2.641 1.00 0.25 C ATOM 1349 C HIS A 90 8.552 7.628 -2.366 1.00 0.27 C ATOM 1350 O HIS A 90 8.525 6.430 -2.090 1.00 0.30 O ATOM 1351 CB HIS A 90 7.091 8.520 -4.145 1.00 0.25 C ATOM 1352 CG HIS A 90 6.989 7.214 -4.893 1.00 0.26 C ATOM 1353 ND1 HIS A 90 7.205 7.130 -6.250 1.00 0.32 N ATOM 1354 CD2 HIS A 90 6.647 5.954 -4.497 1.00 0.27 C ATOM 1355 CE1 HIS A 90 7.005 5.893 -6.652 1.00 0.35 C ATOM 1356 NE2 HIS A 90 6.665 5.158 -5.613 1.00 0.32 N ATOM 0 H HIS A 90 7.271 10.498 -2.727 1.00 0.26 H new ATOM 0 HA HIS A 90 6.451 7.870 -2.196 1.00 0.25 H new ATOM 0 HB2 HIS A 90 6.183 9.095 -4.327 1.00 0.25 H new ATOM 0 HB3 HIS A 90 7.920 9.093 -4.561 1.00 0.25 H new ATOM 0 HD2 HIS A 90 6.407 5.642 -3.491 1.00 0.27 H new ATOM 0 HE1 HIS A 90 7.103 5.538 -7.667 1.00 0.35 H new ATOM 0 HE2 HIS A 90 6.451 4.161 -5.635 1.00 0.32 H new ATOM 1365 N ASP A 91 9.643 8.342 -2.436 1.00 0.31 N ATOM 1366 CA ASP A 91 10.957 7.746 -2.241 1.00 0.34 C ATOM 1367 C ASP A 91 11.137 7.376 -0.795 1.00 0.32 C ATOM 1368 O ASP A 91 11.802 6.399 -0.481 1.00 0.33 O ATOM 1369 CB ASP A 91 12.085 8.676 -2.684 1.00 0.41 C ATOM 1370 CG ASP A 91 12.257 8.707 -4.188 1.00 1.03 C ATOM 1371 OD1 ASP A 91 11.265 8.992 -4.894 1.00 1.45 O ATOM 1372 OD2 ASP A 91 13.376 8.447 -4.670 1.00 1.67 O ATOM 0 H ASP A 91 9.658 9.344 -2.627 1.00 0.31 H new ATOM 0 HA ASP A 91 11.008 6.853 -2.863 1.00 0.34 H new ATOM 0 HB2 ASP A 91 11.882 9.685 -2.324 1.00 0.41 H new ATOM 0 HB3 ASP A 91 13.018 8.355 -2.222 1.00 0.41 H new ATOM 1377 N GLN A 92 10.507 8.140 0.082 1.00 0.31 N ATOM 1378 CA GLN A 92 10.611 7.895 1.496 1.00 0.32 C ATOM 1379 C GLN A 92 10.003 6.540 1.816 1.00 0.29 C ATOM 1380 O GLN A 92 10.596 5.712 2.513 1.00 0.31 O ATOM 1381 CB GLN A 92 9.873 8.988 2.243 1.00 0.36 C ATOM 1382 CG GLN A 92 9.721 8.712 3.709 1.00 0.42 C ATOM 1383 CD GLN A 92 10.903 9.176 4.512 1.00 0.57 C ATOM 1384 OE1 GLN A 92 11.861 8.437 4.727 1.00 0.77 O ATOM 1385 NE2 GLN A 92 10.837 10.415 4.957 1.00 0.62 N ATOM 0 H GLN A 92 9.919 8.935 -0.169 1.00 0.31 H new ATOM 0 HA GLN A 92 11.658 7.896 1.801 1.00 0.32 H new ATOM 0 HB2 GLN A 92 10.405 9.930 2.112 1.00 0.36 H new ATOM 0 HB3 GLN A 92 8.885 9.116 1.801 1.00 0.36 H new ATOM 0 HG2 GLN A 92 8.821 9.206 4.076 1.00 0.42 H new ATOM 0 HG3 GLN A 92 9.582 7.642 3.860 1.00 0.42 H new ATOM 0 HE21 GLN A 92 10.019 10.988 4.751 1.00 0.62 H new ATOM 0 HE22 GLN A 92 11.604 10.801 5.507 1.00 0.62 H new ATOM 1394 N ALA A 93 8.823 6.309 1.258 1.00 0.27 N ATOM 1395 CA ALA A 93 8.108 5.073 1.492 1.00 0.28 C ATOM 1396 C ALA A 93 8.750 3.924 0.724 1.00 0.28 C ATOM 1397 O ALA A 93 8.814 2.800 1.210 1.00 0.33 O ATOM 1398 CB ALA A 93 6.654 5.233 1.093 1.00 0.33 C ATOM 0 H ALA A 93 8.344 6.965 0.640 1.00 0.27 H new ATOM 0 HA ALA A 93 8.158 4.838 2.555 1.00 0.28 H new ATOM 0 HB1 ALA A 93 6.123 4.298 1.272 1.00 0.33 H new ATOM 0 HB2 ALA A 93 6.200 6.028 1.685 1.00 0.33 H new ATOM 0 HB3 ALA A 93 6.593 5.488 0.035 1.00 0.33 H new ATOM 1404 N ARG A 94 9.243 4.225 -0.473 1.00 0.27 N ATOM 1405 CA ARG A 94 9.864 3.220 -1.331 1.00 0.30 C ATOM 1406 C ARG A 94 11.168 2.722 -0.714 1.00 0.33 C ATOM 1407 O ARG A 94 11.469 1.520 -0.731 1.00 0.37 O ATOM 1408 CB ARG A 94 10.152 3.810 -2.713 1.00 0.34 C ATOM 1409 CG ARG A 94 10.417 2.765 -3.786 1.00 0.43 C ATOM 1410 CD ARG A 94 11.051 3.380 -5.026 1.00 0.57 C ATOM 1411 NE ARG A 94 12.338 4.010 -4.731 1.00 1.04 N ATOM 1412 CZ ARG A 94 12.760 5.150 -5.287 1.00 1.41 C ATOM 1413 NH1 ARG A 94 12.019 5.766 -6.193 1.00 1.57 N ATOM 1414 NH2 ARG A 94 13.933 5.660 -4.948 1.00 2.10 N ATOM 0 H ARG A 94 9.224 5.163 -0.874 1.00 0.27 H new ATOM 0 HA ARG A 94 9.173 2.383 -1.430 1.00 0.30 H new ATOM 0 HB2 ARG A 94 9.305 4.424 -3.019 1.00 0.34 H new ATOM 0 HB3 ARG A 94 11.016 4.471 -2.642 1.00 0.34 H new ATOM 0 HG2 ARG A 94 11.074 1.992 -3.387 1.00 0.43 H new ATOM 0 HG3 ARG A 94 9.481 2.278 -4.059 1.00 0.43 H new ATOM 0 HD2 ARG A 94 11.191 2.608 -5.782 1.00 0.57 H new ATOM 0 HD3 ARG A 94 10.373 4.121 -5.449 1.00 0.57 H new ATOM 0 HE ARG A 94 12.952 3.550 -4.059 1.00 1.04 H new ATOM 0 HH11 ARG A 94 11.120 5.371 -6.471 1.00 1.57 H new ATOM 0 HH12 ARG A 94 12.346 6.636 -6.614 1.00 1.57 H new ATOM 0 HH21 ARG A 94 14.517 5.183 -4.261 1.00 2.10 H new ATOM 0 HH22 ARG A 94 14.253 6.530 -5.374 1.00 2.10 H new ATOM 1428 N LYS A 95 11.930 3.662 -0.159 1.00 0.33 N ATOM 1429 CA LYS A 95 13.213 3.377 0.429 1.00 0.40 C ATOM 1430 C LYS A 95 13.022 2.543 1.684 1.00 0.42 C ATOM 1431 O LYS A 95 13.835 1.683 2.008 1.00 0.46 O ATOM 1432 CB LYS A 95 13.917 4.708 0.733 1.00 0.46 C ATOM 1433 CG LYS A 95 15.269 4.586 1.401 1.00 0.64 C ATOM 1434 CD LYS A 95 15.138 4.469 2.913 1.00 0.56 C ATOM 1435 CE LYS A 95 16.342 3.787 3.530 1.00 0.60 C ATOM 1436 NZ LYS A 95 17.599 4.548 3.291 1.00 0.96 N ATOM 0 H LYS A 95 11.662 4.645 -0.110 1.00 0.33 H new ATOM 0 HA LYS A 95 13.835 2.803 -0.257 1.00 0.40 H new ATOM 0 HB2 LYS A 95 14.040 5.257 -0.201 1.00 0.46 H new ATOM 0 HB3 LYS A 95 13.267 5.306 1.372 1.00 0.46 H new ATOM 0 HG2 LYS A 95 15.790 3.712 1.012 1.00 0.64 H new ATOM 0 HG3 LYS A 95 15.877 5.456 1.154 1.00 0.64 H new ATOM 0 HD2 LYS A 95 15.021 5.463 3.346 1.00 0.56 H new ATOM 0 HD3 LYS A 95 14.237 3.907 3.158 1.00 0.56 H new ATOM 0 HE2 LYS A 95 16.185 3.675 4.603 1.00 0.60 H new ATOM 0 HE3 LYS A 95 16.442 2.784 3.116 1.00 0.60 H new ATOM 0 HZ1 LYS A 95 18.389 4.073 3.773 1.00 0.96 H new ATOM 0 HZ2 LYS A 95 17.791 4.590 2.270 1.00 0.96 H new ATOM 0 HZ3 LYS A 95 17.496 5.514 3.663 1.00 0.96 H new ATOM 1450 N ARG A 96 11.938 2.811 2.391 1.00 0.45 N ATOM 1451 CA ARG A 96 11.613 2.061 3.589 1.00 0.51 C ATOM 1452 C ARG A 96 11.070 0.686 3.249 1.00 0.57 C ATOM 1453 O ARG A 96 11.263 -0.277 3.989 1.00 0.72 O ATOM 1454 CB ARG A 96 10.592 2.816 4.425 1.00 0.55 C ATOM 1455 CG ARG A 96 11.188 3.966 5.201 1.00 0.59 C ATOM 1456 CD ARG A 96 12.472 3.546 5.900 1.00 0.72 C ATOM 1457 NE ARG A 96 12.332 2.263 6.603 1.00 1.98 N ATOM 1458 CZ ARG A 96 13.273 1.724 7.382 1.00 2.35 C ATOM 1459 NH1 ARG A 96 14.425 2.348 7.574 1.00 1.58 N ATOM 1460 NH2 ARG A 96 13.056 0.562 7.983 1.00 3.57 N ATOM 0 H ARG A 96 11.268 3.543 2.155 1.00 0.45 H new ATOM 0 HA ARG A 96 12.533 1.938 4.160 1.00 0.51 H new ATOM 0 HB2 ARG A 96 9.807 3.196 3.771 1.00 0.55 H new ATOM 0 HB3 ARG A 96 10.119 2.123 5.121 1.00 0.55 H new ATOM 0 HG2 ARG A 96 11.392 4.797 4.526 1.00 0.59 H new ATOM 0 HG3 ARG A 96 10.469 4.323 5.938 1.00 0.59 H new ATOM 0 HD2 ARG A 96 13.274 3.470 5.166 1.00 0.72 H new ATOM 0 HD3 ARG A 96 12.764 4.318 6.612 1.00 0.72 H new ATOM 0 HE ARG A 96 11.458 1.750 6.488 1.00 1.98 H new ATOM 0 HH11 ARG A 96 14.599 3.247 7.125 1.00 1.58 H new ATOM 0 HH12 ARG A 96 15.139 1.929 8.171 1.00 1.58 H new ATOM 0 HH21 ARG A 96 12.168 0.077 7.851 1.00 3.57 H new ATOM 0 HH22 ARG A 96 13.777 0.153 8.577 1.00 3.57 H new ATOM 1474 N LEU A 97 10.364 0.640 2.141 1.00 0.52 N ATOM 1475 CA LEU A 97 9.721 -0.567 1.652 1.00 0.57 C ATOM 1476 C LEU A 97 10.712 -1.718 1.502 1.00 0.64 C ATOM 1477 O LEU A 97 10.567 -2.761 2.142 1.00 0.96 O ATOM 1478 CB LEU A 97 9.066 -0.251 0.308 1.00 0.70 C ATOM 1479 CG LEU A 97 7.860 -1.103 -0.074 1.00 0.88 C ATOM 1480 CD1 LEU A 97 7.213 -0.532 -1.320 1.00 1.45 C ATOM 1481 CD2 LEU A 97 8.259 -2.552 -0.301 1.00 1.65 C ATOM 0 H LEU A 97 10.216 1.452 1.542 1.00 0.52 H new ATOM 0 HA LEU A 97 8.972 -0.887 2.376 1.00 0.57 H new ATOM 0 HB2 LEU A 97 8.758 0.794 0.315 1.00 0.70 H new ATOM 0 HB3 LEU A 97 9.820 -0.356 -0.473 1.00 0.70 H new ATOM 0 HG LEU A 97 7.145 -1.083 0.749 1.00 0.88 H new ATOM 0 HD11 LEU A 97 6.351 -1.140 -1.594 1.00 1.45 H new ATOM 0 HD12 LEU A 97 6.889 0.490 -1.126 1.00 1.45 H new ATOM 0 HD13 LEU A 97 7.933 -0.535 -2.138 1.00 1.45 H new ATOM 0 HD21 LEU A 97 7.378 -3.134 -0.572 1.00 1.65 H new ATOM 0 HD22 LEU A 97 8.991 -2.606 -1.107 1.00 1.65 H new ATOM 0 HD23 LEU A 97 8.694 -2.957 0.613 1.00 1.65 H new ATOM 1493 N THR A 98 11.713 -1.534 0.654 1.00 0.54 N ATOM 1494 CA THR A 98 12.664 -2.606 0.389 1.00 0.65 C ATOM 1495 C THR A 98 14.037 -2.307 0.963 1.00 0.74 C ATOM 1496 O THR A 98 14.423 -2.868 1.991 1.00 1.53 O ATOM 1497 CB THR A 98 12.790 -2.897 -1.122 1.00 0.92 C ATOM 1498 OG1 THR A 98 12.903 -1.669 -1.859 1.00 1.15 O ATOM 1499 CG2 THR A 98 11.603 -3.691 -1.634 1.00 1.12 C ATOM 0 H THR A 98 11.888 -0.668 0.144 1.00 0.54 H new ATOM 0 HA THR A 98 12.267 -3.491 0.887 1.00 0.65 H new ATOM 0 HB THR A 98 13.691 -3.493 -1.269 1.00 0.92 H new ATOM 0 HG1 THR A 98 12.984 -1.868 -2.815 1.00 1.15 H new ATOM 0 HG21 THR A 98 11.724 -3.879 -2.701 1.00 1.12 H new ATOM 0 HG22 THR A 98 11.544 -4.641 -1.103 1.00 1.12 H new ATOM 0 HG23 THR A 98 10.687 -3.125 -1.467 1.00 1.12 H new ATOM 1507 N LYS A 99 14.796 -1.469 0.261 1.00 0.79 N ATOM 1508 CA LYS A 99 16.108 -1.023 0.730 1.00 1.12 C ATOM 1509 C LYS A 99 17.148 -2.150 0.699 1.00 1.36 C ATOM 1510 O LYS A 99 18.331 -1.951 0.986 1.00 2.28 O ATOM 1511 CB LYS A 99 15.937 -0.409 2.125 1.00 1.29 C ATOM 1512 CG LYS A 99 17.172 -0.417 2.981 1.00 1.18 C ATOM 1513 CD LYS A 99 16.821 -0.186 4.441 1.00 1.56 C ATOM 1514 CE LYS A 99 15.914 -1.294 4.963 1.00 1.98 C ATOM 1515 NZ LYS A 99 15.541 -1.081 6.383 1.00 2.72 N ATOM 0 H LYS A 99 14.523 -1.082 -0.642 1.00 0.79 H new ATOM 0 HA LYS A 99 16.501 -0.263 0.054 1.00 1.12 H new ATOM 0 HB2 LYS A 99 15.598 0.621 2.013 1.00 1.29 H new ATOM 0 HB3 LYS A 99 15.148 -0.949 2.648 1.00 1.29 H new ATOM 0 HG2 LYS A 99 17.688 -1.371 2.873 1.00 1.18 H new ATOM 0 HG3 LYS A 99 17.860 0.357 2.641 1.00 1.18 H new ATOM 0 HD2 LYS A 99 17.733 -0.146 5.037 1.00 1.56 H new ATOM 0 HD3 LYS A 99 16.325 0.778 4.552 1.00 1.56 H new ATOM 0 HE2 LYS A 99 15.011 -1.341 4.354 1.00 1.98 H new ATOM 0 HE3 LYS A 99 16.419 -2.255 4.860 1.00 1.98 H new ATOM 0 HZ1 LYS A 99 14.738 -1.696 6.627 1.00 2.72 H new ATOM 0 HZ2 LYS A 99 16.351 -1.311 6.993 1.00 2.72 H new ATOM 0 HZ3 LYS A 99 15.272 -0.087 6.526 1.00 2.72 H new ATOM 1529 N ARG A 100 16.691 -3.322 0.318 1.00 1.04 N ATOM 1530 CA ARG A 100 17.550 -4.468 0.063 1.00 1.17 C ATOM 1531 C ARG A 100 18.138 -5.059 1.350 1.00 1.12 C ATOM 1532 O ARG A 100 19.161 -5.738 1.298 1.00 1.39 O ATOM 1533 CB ARG A 100 18.701 -4.109 -0.896 1.00 1.55 C ATOM 1534 CG ARG A 100 18.264 -3.698 -2.291 1.00 2.10 C ATOM 1535 CD ARG A 100 19.467 -3.359 -3.163 1.00 2.50 C ATOM 1536 NE ARG A 100 20.391 -4.487 -3.296 1.00 3.10 N ATOM 1537 CZ ARG A 100 21.683 -4.373 -3.629 1.00 3.59 C ATOM 1538 NH1 ARG A 100 22.220 -3.183 -3.885 1.00 3.60 N ATOM 1539 NH2 ARG A 100 22.432 -5.462 -3.720 1.00 4.38 N ATOM 0 H ARG A 100 15.700 -3.513 0.173 1.00 1.04 H new ATOM 0 HA ARG A 100 16.911 -5.220 -0.401 1.00 1.17 H new ATOM 0 HB2 ARG A 100 19.280 -3.296 -0.458 1.00 1.55 H new ATOM 0 HB3 ARG A 100 19.368 -4.967 -0.978 1.00 1.55 H new ATOM 0 HG2 ARG A 100 17.694 -4.506 -2.750 1.00 2.10 H new ATOM 0 HG3 ARG A 100 17.601 -2.835 -2.229 1.00 2.10 H new ATOM 0 HD2 ARG A 100 19.123 -3.056 -4.152 1.00 2.50 H new ATOM 0 HD3 ARG A 100 19.996 -2.508 -2.734 1.00 2.50 H new ATOM 0 HE ARG A 100 20.026 -5.424 -3.123 1.00 3.10 H new ATOM 0 HH11 ARG A 100 21.646 -2.342 -3.829 1.00 3.60 H new ATOM 0 HH12 ARG A 100 23.206 -3.112 -4.137 1.00 3.60 H new ATOM 0 HH21 ARG A 100 22.024 -6.379 -3.537 1.00 4.38 H new ATOM 0 HH22 ARG A 100 23.417 -5.384 -3.973 1.00 4.38 H new ATOM 1553 N SER A 101 17.493 -4.834 2.495 1.00 1.05 N ATOM 1554 CA SER A 101 18.071 -5.269 3.772 1.00 1.37 C ATOM 1555 C SER A 101 17.016 -5.499 4.856 1.00 1.22 C ATOM 1556 O SER A 101 17.297 -5.368 6.048 1.00 1.64 O ATOM 1557 CB SER A 101 19.094 -4.231 4.238 1.00 1.90 C ATOM 1558 OG SER A 101 18.604 -2.915 4.041 1.00 2.51 O ATOM 0 H SER A 101 16.591 -4.364 2.568 1.00 1.05 H new ATOM 0 HA SER A 101 18.555 -6.231 3.605 1.00 1.37 H new ATOM 0 HB2 SER A 101 19.320 -4.385 5.293 1.00 1.90 H new ATOM 0 HB3 SER A 101 20.027 -4.362 3.690 1.00 1.90 H new ATOM 0 HG SER A 101 19.273 -2.268 4.347 1.00 2.51 H new ATOM 1564 N GLU A 102 15.813 -5.869 4.449 1.00 1.06 N ATOM 1565 CA GLU A 102 14.754 -6.180 5.401 1.00 1.19 C ATOM 1566 C GLU A 102 14.629 -7.682 5.636 1.00 0.93 C ATOM 1567 O GLU A 102 15.181 -8.488 4.888 1.00 1.34 O ATOM 1568 CB GLU A 102 13.421 -5.621 4.920 1.00 1.63 C ATOM 1569 CG GLU A 102 13.255 -4.146 5.216 1.00 2.12 C ATOM 1570 CD GLU A 102 13.280 -3.864 6.706 1.00 2.70 C ATOM 1571 OE1 GLU A 102 12.385 -4.351 7.423 1.00 3.40 O ATOM 1572 OE2 GLU A 102 14.186 -3.147 7.167 1.00 2.95 O ATOM 0 H GLU A 102 15.544 -5.962 3.470 1.00 1.06 H new ATOM 0 HA GLU A 102 15.022 -5.710 6.347 1.00 1.19 H new ATOM 0 HB2 GLU A 102 13.333 -5.782 3.846 1.00 1.63 H new ATOM 0 HB3 GLU A 102 12.610 -6.174 5.393 1.00 1.63 H new ATOM 0 HG2 GLU A 102 14.051 -3.585 4.727 1.00 2.12 H new ATOM 0 HG3 GLU A 102 12.313 -3.795 4.795 1.00 2.12 H new ATOM 1579 N GLU A 103 13.897 -8.042 6.687 1.00 0.74 N ATOM 1580 CA GLU A 103 13.638 -9.441 7.015 1.00 0.68 C ATOM 1581 C GLU A 103 12.151 -9.753 6.854 1.00 0.54 C ATOM 1582 O GLU A 103 11.758 -10.878 6.551 1.00 0.61 O ATOM 1583 CB GLU A 103 14.093 -9.746 8.444 1.00 0.95 C ATOM 1584 CG GLU A 103 13.528 -8.787 9.478 1.00 1.37 C ATOM 1585 CD GLU A 103 13.874 -9.182 10.893 1.00 2.16 C ATOM 1586 OE1 GLU A 103 14.588 -10.192 11.080 1.00 2.58 O ATOM 1587 OE2 GLU A 103 13.431 -8.486 11.832 1.00 2.68 O ATOM 0 H GLU A 103 13.469 -7.377 7.331 1.00 0.74 H new ATOM 0 HA GLU A 103 14.204 -10.071 6.329 1.00 0.68 H new ATOM 0 HB2 GLU A 103 13.796 -10.762 8.702 1.00 0.95 H new ATOM 0 HB3 GLU A 103 15.182 -9.712 8.485 1.00 0.95 H new ATOM 0 HG2 GLU A 103 13.908 -7.784 9.282 1.00 1.37 H new ATOM 0 HG3 GLU A 103 12.444 -8.744 9.373 1.00 1.37 H new ATOM 1594 N VAL A 104 11.338 -8.733 7.049 1.00 0.40 N ATOM 1595 CA VAL A 104 9.904 -8.828 6.888 1.00 0.33 C ATOM 1596 C VAL A 104 9.387 -7.449 6.523 1.00 0.29 C ATOM 1597 O VAL A 104 9.904 -6.443 7.004 1.00 0.34 O ATOM 1598 CB VAL A 104 9.203 -9.369 8.160 1.00 0.38 C ATOM 1599 CG1 VAL A 104 9.593 -8.574 9.396 1.00 0.44 C ATOM 1600 CG2 VAL A 104 7.691 -9.380 7.986 1.00 0.37 C ATOM 0 H VAL A 104 11.660 -7.806 7.327 1.00 0.40 H new ATOM 0 HA VAL A 104 9.677 -9.543 6.097 1.00 0.33 H new ATOM 0 HB VAL A 104 9.541 -10.395 8.305 1.00 0.38 H new ATOM 0 HG11 VAL A 104 9.082 -8.983 10.268 1.00 0.44 H new ATOM 0 HG12 VAL A 104 10.671 -8.638 9.544 1.00 0.44 H new ATOM 0 HG13 VAL A 104 9.306 -7.531 9.263 1.00 0.44 H new ATOM 0 HG21 VAL A 104 7.223 -9.764 8.893 1.00 0.37 H new ATOM 0 HG22 VAL A 104 7.339 -8.366 7.798 1.00 0.37 H new ATOM 0 HG23 VAL A 104 7.426 -10.018 7.143 1.00 0.37 H new ATOM 1610 N VAL A 105 8.397 -7.389 5.659 1.00 0.28 N ATOM 1611 CA VAL A 105 7.982 -6.128 5.106 1.00 0.28 C ATOM 1612 C VAL A 105 6.584 -5.769 5.522 1.00 0.26 C ATOM 1613 O VAL A 105 5.614 -6.473 5.241 1.00 0.26 O ATOM 1614 CB VAL A 105 8.122 -6.099 3.588 1.00 0.31 C ATOM 1615 CG1 VAL A 105 7.448 -4.870 3.014 1.00 0.34 C ATOM 1616 CG2 VAL A 105 9.589 -6.109 3.251 1.00 0.46 C ATOM 0 H VAL A 105 7.870 -8.197 5.328 1.00 0.28 H new ATOM 0 HA VAL A 105 8.654 -5.373 5.514 1.00 0.28 H new ATOM 0 HB VAL A 105 7.636 -6.972 3.152 1.00 0.31 H new ATOM 0 HG11 VAL A 105 7.559 -4.867 1.930 1.00 0.34 H new ATOM 0 HG12 VAL A 105 6.389 -4.883 3.271 1.00 0.34 H new ATOM 0 HG13 VAL A 105 7.911 -3.974 3.428 1.00 0.34 H new ATOM 0 HG21 VAL A 105 9.714 -6.089 2.168 1.00 0.46 H new ATOM 0 HG22 VAL A 105 10.069 -5.233 3.688 1.00 0.46 H new ATOM 0 HG23 VAL A 105 10.048 -7.012 3.652 1.00 0.46 H new ATOM 1626 N ARG A 106 6.527 -4.673 6.230 1.00 0.29 N ATOM 1627 CA ARG A 106 5.323 -4.199 6.846 1.00 0.28 C ATOM 1628 C ARG A 106 4.684 -3.105 6.022 1.00 0.26 C ATOM 1629 O ARG A 106 5.343 -2.146 5.634 1.00 0.32 O ATOM 1630 CB ARG A 106 5.669 -3.701 8.229 1.00 0.35 C ATOM 1631 CG ARG A 106 6.192 -4.800 9.137 1.00 0.43 C ATOM 1632 CD ARG A 106 7.645 -5.171 8.842 1.00 0.54 C ATOM 1633 NE ARG A 106 8.353 -5.525 10.070 1.00 0.81 N ATOM 1634 CZ ARG A 106 9.635 -5.251 10.315 1.00 1.26 C ATOM 1635 NH1 ARG A 106 10.392 -4.687 9.382 1.00 1.76 N ATOM 1636 NH2 ARG A 106 10.159 -5.566 11.492 1.00 1.46 N ATOM 0 H ARG A 106 7.336 -4.074 6.396 1.00 0.29 H new ATOM 0 HA ARG A 106 4.598 -5.010 6.912 1.00 0.28 H new ATOM 0 HB2 ARG A 106 6.419 -2.914 8.150 1.00 0.35 H new ATOM 0 HB3 ARG A 106 4.784 -3.253 8.681 1.00 0.35 H new ATOM 0 HG2 ARG A 106 6.108 -4.478 10.175 1.00 0.43 H new ATOM 0 HG3 ARG A 106 5.566 -5.685 9.026 1.00 0.43 H new ATOM 0 HD2 ARG A 106 7.676 -6.009 8.145 1.00 0.54 H new ATOM 0 HD3 ARG A 106 8.147 -4.334 8.357 1.00 0.54 H new ATOM 0 HE ARG A 106 7.828 -6.018 10.793 1.00 0.81 H new ATOM 0 HH11 ARG A 106 9.994 -4.460 8.471 1.00 1.76 H new ATOM 0 HH12 ARG A 106 11.372 -4.480 9.576 1.00 1.76 H new ATOM 0 HH21 ARG A 106 9.582 -6.015 12.203 1.00 1.46 H new ATOM 0 HH22 ARG A 106 11.139 -5.359 11.686 1.00 1.46 H new ATOM 1650 N LEU A 107 3.418 -3.263 5.750 1.00 0.24 N ATOM 1651 CA LEU A 107 2.662 -2.274 5.010 1.00 0.24 C ATOM 1652 C LEU A 107 1.337 -2.004 5.709 1.00 0.21 C ATOM 1653 O LEU A 107 0.604 -2.939 6.048 1.00 0.28 O ATOM 1654 CB LEU A 107 2.413 -2.767 3.583 1.00 0.37 C ATOM 1655 CG LEU A 107 1.836 -1.727 2.626 1.00 0.57 C ATOM 1656 CD1 LEU A 107 2.904 -0.713 2.252 1.00 0.98 C ATOM 1657 CD2 LEU A 107 1.268 -2.403 1.387 1.00 1.12 C ATOM 0 H LEU A 107 2.875 -4.079 6.032 1.00 0.24 H new ATOM 0 HA LEU A 107 3.234 -1.347 4.968 1.00 0.24 H new ATOM 0 HB2 LEU A 107 3.355 -3.132 3.173 1.00 0.37 H new ATOM 0 HB3 LEU A 107 1.732 -3.617 3.623 1.00 0.37 H new ATOM 0 HG LEU A 107 1.022 -1.200 3.125 1.00 0.57 H new ATOM 0 HD11 LEU A 107 2.482 0.024 1.569 1.00 0.98 H new ATOM 0 HD12 LEU A 107 3.261 -0.212 3.152 1.00 0.98 H new ATOM 0 HD13 LEU A 107 3.736 -1.223 1.766 1.00 0.98 H new ATOM 0 HD21 LEU A 107 0.861 -1.648 0.715 1.00 1.12 H new ATOM 0 HD22 LEU A 107 2.059 -2.953 0.878 1.00 1.12 H new ATOM 0 HD23 LEU A 107 0.477 -3.093 1.680 1.00 1.12 H new ATOM 1669 N LEU A 108 1.022 -0.742 5.937 1.00 0.18 N ATOM 1670 CA LEU A 108 -0.263 -0.387 6.466 1.00 0.15 C ATOM 1671 C LEU A 108 -1.062 0.215 5.341 1.00 0.15 C ATOM 1672 O LEU A 108 -0.713 1.267 4.833 1.00 0.24 O ATOM 1673 CB LEU A 108 -0.090 0.605 7.610 1.00 0.19 C ATOM 1674 CG LEU A 108 -1.373 1.204 8.177 1.00 0.28 C ATOM 1675 CD1 LEU A 108 -2.354 0.102 8.538 1.00 0.42 C ATOM 1676 CD2 LEU A 108 -1.043 2.046 9.399 1.00 0.26 C ATOM 0 H LEU A 108 1.644 0.047 5.761 1.00 0.18 H new ATOM 0 HA LEU A 108 -0.783 -1.259 6.863 1.00 0.15 H new ATOM 0 HB2 LEU A 108 0.443 0.106 8.419 1.00 0.19 H new ATOM 0 HB3 LEU A 108 0.546 1.420 7.264 1.00 0.19 H new ATOM 0 HG LEU A 108 -1.837 1.839 7.423 1.00 0.28 H new ATOM 0 HD11 LEU A 108 -3.265 0.544 8.941 1.00 0.42 H new ATOM 0 HD12 LEU A 108 -2.595 -0.477 7.646 1.00 0.42 H new ATOM 0 HD13 LEU A 108 -1.907 -0.553 9.286 1.00 0.42 H new ATOM 0 HD21 LEU A 108 -1.960 2.474 9.804 1.00 0.26 H new ATOM 0 HD22 LEU A 108 -0.570 1.420 10.155 1.00 0.26 H new ATOM 0 HD23 LEU A 108 -0.362 2.849 9.115 1.00 0.26 H new ATOM 1688 N VAL A 109 -2.112 -0.449 4.928 1.00 0.18 N ATOM 1689 CA VAL A 109 -2.831 -0.006 3.762 1.00 0.21 C ATOM 1690 C VAL A 109 -4.273 0.268 4.103 1.00 0.22 C ATOM 1691 O VAL A 109 -4.873 -0.401 4.941 1.00 0.27 O ATOM 1692 CB VAL A 109 -2.731 -1.033 2.612 1.00 0.32 C ATOM 1693 CG1 VAL A 109 -4.065 -1.695 2.307 1.00 0.69 C ATOM 1694 CG2 VAL A 109 -2.153 -0.382 1.374 1.00 0.77 C ATOM 0 H VAL A 109 -2.484 -1.287 5.375 1.00 0.18 H new ATOM 0 HA VAL A 109 -2.371 0.921 3.420 1.00 0.21 H new ATOM 0 HB VAL A 109 -2.058 -1.825 2.941 1.00 0.32 H new ATOM 0 HG11 VAL A 109 -3.940 -2.407 1.492 1.00 0.69 H new ATOM 0 HG12 VAL A 109 -4.423 -2.218 3.194 1.00 0.69 H new ATOM 0 HG13 VAL A 109 -4.790 -0.935 2.016 1.00 0.69 H new ATOM 0 HG21 VAL A 109 -2.089 -1.118 0.572 1.00 0.77 H new ATOM 0 HG22 VAL A 109 -2.797 0.440 1.061 1.00 0.77 H new ATOM 0 HG23 VAL A 109 -1.157 0.001 1.596 1.00 0.77 H new ATOM 1704 N THR A 110 -4.811 1.272 3.477 1.00 0.22 N ATOM 1705 CA THR A 110 -6.219 1.553 3.621 1.00 0.25 C ATOM 1706 C THR A 110 -7.008 0.949 2.465 1.00 0.26 C ATOM 1707 O THR A 110 -6.785 1.275 1.298 1.00 0.30 O ATOM 1708 CB THR A 110 -6.479 3.056 3.680 1.00 0.30 C ATOM 1709 OG1 THR A 110 -5.405 3.709 4.349 1.00 0.34 O ATOM 1710 CG2 THR A 110 -7.761 3.342 4.417 1.00 0.33 C ATOM 0 H THR A 110 -4.305 1.910 2.864 1.00 0.22 H new ATOM 0 HA THR A 110 -6.548 1.103 4.558 1.00 0.25 H new ATOM 0 HB THR A 110 -6.560 3.429 2.659 1.00 0.30 H new ATOM 0 HG1 THR A 110 -4.634 3.771 3.747 1.00 0.34 H new ATOM 0 HG21 THR A 110 -7.930 4.418 4.449 1.00 0.33 H new ATOM 0 HG22 THR A 110 -8.592 2.859 3.902 1.00 0.33 H new ATOM 0 HG23 THR A 110 -7.690 2.955 5.434 1.00 0.33 H new ATOM 1718 N ARG A 111 -7.928 0.069 2.827 1.00 0.30 N ATOM 1719 CA ARG A 111 -8.748 -0.676 1.898 1.00 0.37 C ATOM 1720 C ARG A 111 -10.035 0.093 1.613 1.00 0.42 C ATOM 1721 O ARG A 111 -10.489 0.875 2.446 1.00 0.49 O ATOM 1722 CB ARG A 111 -9.054 -2.024 2.539 1.00 0.53 C ATOM 1723 CG ARG A 111 -8.892 -3.198 1.614 1.00 0.47 C ATOM 1724 CD ARG A 111 -8.834 -4.493 2.405 1.00 0.58 C ATOM 1725 NE ARG A 111 -8.552 -5.637 1.553 1.00 1.06 N ATOM 1726 CZ ARG A 111 -7.947 -6.747 1.969 1.00 1.44 C ATOM 1727 NH1 ARG A 111 -7.646 -6.910 3.256 1.00 1.63 N ATOM 1728 NH2 ARG A 111 -7.662 -7.702 1.095 1.00 2.01 N ATOM 0 H ARG A 111 -8.127 -0.149 3.803 1.00 0.30 H new ATOM 0 HA ARG A 111 -8.232 -0.822 0.949 1.00 0.37 H new ATOM 0 HB2 ARG A 111 -8.400 -2.161 3.400 1.00 0.53 H new ATOM 0 HB3 ARG A 111 -10.077 -2.011 2.915 1.00 0.53 H new ATOM 0 HG2 ARG A 111 -9.724 -3.232 0.910 1.00 0.47 H new ATOM 0 HG3 ARG A 111 -7.981 -3.083 1.026 1.00 0.47 H new ATOM 0 HD2 ARG A 111 -8.065 -4.415 3.174 1.00 0.58 H new ATOM 0 HD3 ARG A 111 -9.783 -4.648 2.918 1.00 0.58 H new ATOM 0 HE ARG A 111 -8.836 -5.586 0.575 1.00 1.06 H new ATOM 0 HH11 ARG A 111 -7.879 -6.181 3.931 1.00 1.63 H new ATOM 0 HH12 ARG A 111 -7.182 -7.764 3.567 1.00 1.63 H new ATOM 0 HH21 ARG A 111 -7.906 -7.583 0.112 1.00 2.01 H new ATOM 0 HH22 ARG A 111 -7.198 -8.556 1.406 1.00 2.01 H new ATOM 1742 N GLN A 112 -10.622 -0.129 0.446 1.00 0.56 N ATOM 1743 CA GLN A 112 -11.696 0.722 -0.028 1.00 0.71 C ATOM 1744 C GLN A 112 -12.746 -0.033 -0.839 1.00 0.89 C ATOM 1745 O GLN A 112 -13.917 -0.073 -0.459 1.00 1.36 O ATOM 1746 CB GLN A 112 -11.122 1.906 -0.824 1.00 0.78 C ATOM 1747 CG GLN A 112 -10.274 1.567 -2.049 1.00 0.71 C ATOM 1748 CD GLN A 112 -9.263 0.451 -1.833 1.00 0.95 C ATOM 1749 OE1 GLN A 112 -9.561 -0.714 -2.098 1.00 1.97 O ATOM 1750 NE2 GLN A 112 -8.110 0.780 -1.278 1.00 0.66 N ATOM 0 H GLN A 112 -10.372 -0.889 -0.186 1.00 0.56 H new ATOM 0 HA GLN A 112 -12.215 1.102 0.852 1.00 0.71 H new ATOM 0 HB2 GLN A 112 -11.953 2.532 -1.149 1.00 0.78 H new ATOM 0 HB3 GLN A 112 -10.516 2.508 -0.147 1.00 0.78 H new ATOM 0 HG2 GLN A 112 -10.937 1.285 -2.866 1.00 0.71 H new ATOM 0 HG3 GLN A 112 -9.742 2.464 -2.366 1.00 0.71 H new ATOM 0 HE21 GLN A 112 -7.902 1.758 -1.075 1.00 0.66 H new ATOM 0 HE22 GLN A 112 -7.427 0.056 -1.053 1.00 0.66 H new ATOM 1759 N SER A 113 -12.337 -0.628 -1.943 1.00 0.79 N ATOM 1760 CA SER A 113 -13.287 -1.268 -2.841 1.00 0.96 C ATOM 1761 C SER A 113 -12.613 -2.325 -3.719 1.00 0.89 C ATOM 1762 O SER A 113 -13.217 -2.848 -4.653 1.00 1.18 O ATOM 1763 CB SER A 113 -13.958 -0.194 -3.704 1.00 1.25 C ATOM 1764 OG SER A 113 -15.032 -0.723 -4.468 1.00 1.62 O ATOM 0 H SER A 113 -11.363 -0.683 -2.241 1.00 0.79 H new ATOM 0 HA SER A 113 -14.039 -1.784 -2.244 1.00 0.96 H new ATOM 0 HB2 SER A 113 -14.328 0.607 -3.064 1.00 1.25 H new ATOM 0 HB3 SER A 113 -13.220 0.248 -4.373 1.00 1.25 H new ATOM 0 HG SER A 113 -14.826 -1.646 -4.727 1.00 1.62 H new ATOM 1770 N LEU A 114 -11.372 -2.665 -3.404 1.00 0.90 N ATOM 1771 CA LEU A 114 -10.625 -3.611 -4.219 1.00 0.94 C ATOM 1772 C LEU A 114 -10.611 -4.996 -3.591 1.00 1.13 C ATOM 1773 O LEU A 114 -9.793 -5.844 -3.952 1.00 1.65 O ATOM 1774 CB LEU A 114 -9.199 -3.106 -4.451 1.00 0.90 C ATOM 1775 CG LEU A 114 -9.061 -2.074 -5.572 1.00 0.85 C ATOM 1776 CD1 LEU A 114 -9.773 -2.578 -6.808 1.00 1.43 C ATOM 1777 CD2 LEU A 114 -9.607 -0.715 -5.157 1.00 1.23 C ATOM 0 H LEU A 114 -10.864 -2.303 -2.597 1.00 0.90 H new ATOM 0 HA LEU A 114 -11.127 -3.692 -5.183 1.00 0.94 H new ATOM 0 HB2 LEU A 114 -8.828 -2.668 -3.524 1.00 0.90 H new ATOM 0 HB3 LEU A 114 -8.559 -3.958 -4.679 1.00 0.90 H new ATOM 0 HG LEU A 114 -8.001 -1.942 -5.789 1.00 0.85 H new ATOM 0 HD11 LEU A 114 -9.676 -1.844 -7.608 1.00 1.43 H new ATOM 0 HD12 LEU A 114 -9.328 -3.521 -7.125 1.00 1.43 H new ATOM 0 HD13 LEU A 114 -10.828 -2.732 -6.583 1.00 1.43 H new ATOM 0 HD21 LEU A 114 -9.491 -0.010 -5.980 1.00 1.23 H new ATOM 0 HD22 LEU A 114 -10.663 -0.809 -4.906 1.00 1.23 H new ATOM 0 HD23 LEU A 114 -9.058 -0.352 -4.288 1.00 1.23 H new ATOM 1789 N GLN A 115 -11.534 -5.223 -2.667 1.00 1.02 N ATOM 1790 CA GLN A 115 -11.682 -6.525 -2.033 1.00 1.26 C ATOM 1791 C GLN A 115 -11.937 -7.589 -3.098 1.00 1.27 C ATOM 1792 O GLN A 115 -12.906 -7.505 -3.853 1.00 1.34 O ATOM 1793 CB GLN A 115 -12.817 -6.504 -0.999 1.00 1.55 C ATOM 1794 CG GLN A 115 -12.522 -5.620 0.211 1.00 2.26 C ATOM 1795 CD GLN A 115 -12.599 -4.136 -0.103 1.00 2.88 C ATOM 1796 OE1 GLN A 115 -13.529 -3.760 -0.965 1.00 3.53 O flip ATOM 1797 NE2 GLN A 115 -11.852 -3.331 0.448 1.00 3.18 N flip ATOM 0 H GLN A 115 -12.194 -4.518 -2.339 1.00 1.02 H new ATOM 0 HA GLN A 115 -10.759 -6.767 -1.506 1.00 1.26 H new ATOM 0 HB2 GLN A 115 -13.730 -6.154 -1.481 1.00 1.55 H new ATOM 0 HB3 GLN A 115 -13.006 -7.522 -0.658 1.00 1.55 H new ATOM 0 HG2 GLN A 115 -13.230 -5.854 1.006 1.00 2.26 H new ATOM 0 HG3 GLN A 115 -11.527 -5.854 0.591 1.00 2.26 H new ATOM 0 HE21 GLN A 115 -11.146 -3.659 1.108 1.00 3.18 H new ATOM 0 HE22 GLN A 115 -11.938 -2.335 0.246 1.00 3.18 H new ATOM 1806 N LYS A 116 -11.067 -8.589 -3.148 1.00 1.61 N ATOM 1807 CA LYS A 116 -11.037 -9.521 -4.270 1.00 1.82 C ATOM 1808 C LYS A 116 -11.885 -10.757 -4.003 1.00 2.23 C ATOM 1809 O LYS A 116 -11.437 -11.885 -4.210 1.00 2.85 O ATOM 1810 CB LYS A 116 -9.598 -9.928 -4.570 1.00 2.03 C ATOM 1811 CG LYS A 116 -8.832 -10.428 -3.354 1.00 2.25 C ATOM 1812 CD LYS A 116 -7.403 -10.809 -3.702 1.00 2.52 C ATOM 1813 CE LYS A 116 -6.687 -11.425 -2.509 1.00 3.01 C ATOM 1814 NZ LYS A 116 -5.299 -11.843 -2.840 1.00 3.60 N ATOM 0 H LYS A 116 -10.372 -8.777 -2.425 1.00 1.61 H new ATOM 0 HA LYS A 116 -11.461 -9.012 -5.136 1.00 1.82 H new ATOM 0 HB2 LYS A 116 -9.603 -10.709 -5.330 1.00 2.03 H new ATOM 0 HB3 LYS A 116 -9.070 -9.074 -4.994 1.00 2.03 H new ATOM 0 HG2 LYS A 116 -8.825 -9.654 -2.586 1.00 2.25 H new ATOM 0 HG3 LYS A 116 -9.345 -11.292 -2.931 1.00 2.25 H new ATOM 0 HD2 LYS A 116 -7.405 -11.516 -4.532 1.00 2.52 H new ATOM 0 HD3 LYS A 116 -6.860 -9.925 -4.037 1.00 2.52 H new ATOM 0 HE2 LYS A 116 -6.662 -10.705 -1.691 1.00 3.01 H new ATOM 0 HE3 LYS A 116 -7.250 -12.289 -2.156 1.00 3.01 H new ATOM 0 HZ1 LYS A 116 -4.851 -12.257 -1.998 1.00 3.60 H new ATOM 0 HZ2 LYS A 116 -5.322 -12.550 -3.602 1.00 3.60 H new ATOM 0 HZ3 LYS A 116 -4.752 -11.015 -3.152 1.00 3.60 H new ATOM 1828 N ALA A 117 -13.122 -10.513 -3.584 1.00 2.34 N ATOM 1829 CA ALA A 117 -14.076 -11.571 -3.236 1.00 2.83 C ATOM 1830 C ALA A 117 -13.550 -12.446 -2.104 1.00 3.08 C ATOM 1831 O ALA A 117 -12.716 -13.326 -2.315 1.00 3.56 O ATOM 1832 CB ALA A 117 -14.418 -12.424 -4.449 1.00 3.37 C ATOM 0 H ALA A 117 -13.498 -9.571 -3.474 1.00 2.34 H new ATOM 0 HA ALA A 117 -14.987 -11.083 -2.891 1.00 2.83 H new ATOM 0 HB1 ALA A 117 -15.127 -13.200 -4.160 1.00 3.37 H new ATOM 0 HB2 ALA A 117 -14.862 -11.796 -5.222 1.00 3.37 H new ATOM 0 HB3 ALA A 117 -13.510 -12.888 -4.835 1.00 3.37 H new ATOM 1838 N VAL A 118 -14.032 -12.201 -0.897 1.00 3.17 N ATOM 1839 CA VAL A 118 -13.586 -12.962 0.250 1.00 3.87 C ATOM 1840 C VAL A 118 -14.777 -13.546 1.011 1.00 4.45 C ATOM 1841 O VAL A 118 -15.843 -12.930 1.099 1.00 4.99 O ATOM 1842 CB VAL A 118 -12.708 -12.104 1.191 1.00 4.04 C ATOM 1843 CG1 VAL A 118 -13.522 -11.005 1.861 1.00 4.19 C ATOM 1844 CG2 VAL A 118 -12.020 -12.981 2.227 1.00 4.70 C ATOM 0 H VAL A 118 -14.728 -11.485 -0.690 1.00 3.17 H new ATOM 0 HA VAL A 118 -12.974 -13.785 -0.119 1.00 3.87 H new ATOM 0 HB VAL A 118 -11.941 -11.621 0.586 1.00 4.04 H new ATOM 0 HG11 VAL A 118 -12.875 -10.421 2.515 1.00 4.19 H new ATOM 0 HG12 VAL A 118 -13.951 -10.354 1.099 1.00 4.19 H new ATOM 0 HG13 VAL A 118 -14.323 -11.453 2.449 1.00 4.19 H new ATOM 0 HG21 VAL A 118 -11.407 -12.360 2.880 1.00 4.70 H new ATOM 0 HG22 VAL A 118 -12.772 -13.500 2.821 1.00 4.70 H new ATOM 0 HG23 VAL A 118 -11.388 -13.712 1.723 1.00 4.70 H new ATOM 1854 N GLN A 119 -14.590 -14.749 1.529 1.00 4.69 N ATOM 1855 CA GLN A 119 -15.627 -15.448 2.272 1.00 5.46 C ATOM 1856 C GLN A 119 -15.693 -14.944 3.709 1.00 5.68 C ATOM 1857 O GLN A 119 -14.663 -14.771 4.364 1.00 6.25 O ATOM 1858 CB GLN A 119 -15.350 -16.951 2.249 1.00 6.13 C ATOM 1859 CG GLN A 119 -15.422 -17.557 0.855 1.00 6.63 C ATOM 1860 CD GLN A 119 -14.765 -18.920 0.772 1.00 7.30 C ATOM 1861 OE1 GLN A 119 -13.717 -19.118 1.557 1.00 7.63 O flip ATOM 1862 NE2 GLN A 119 -15.185 -19.782 -0.002 1.00 7.77 N flip ATOM 0 H GLN A 119 -13.716 -15.268 1.447 1.00 4.69 H new ATOM 0 HA GLN A 119 -16.590 -15.253 1.800 1.00 5.46 H new ATOM 0 HB2 GLN A 119 -14.361 -17.137 2.668 1.00 6.13 H new ATOM 0 HB3 GLN A 119 -16.069 -17.456 2.894 1.00 6.13 H new ATOM 0 HG2 GLN A 119 -16.466 -17.643 0.555 1.00 6.63 H new ATOM 0 HG3 GLN A 119 -14.941 -16.883 0.146 1.00 6.63 H new ATOM 0 HE21 GLN A 119 -15.996 -19.588 -0.590 1.00 7.77 H new ATOM 0 HE22 GLN A 119 -14.722 -20.689 -0.055 1.00 7.77 H new ATOM 1871 N GLN A 120 -16.906 -14.711 4.188 1.00 5.58 N ATOM 1872 CA GLN A 120 -17.122 -14.218 5.538 1.00 6.13 C ATOM 1873 C GLN A 120 -18.532 -14.561 6.010 1.00 6.54 C ATOM 1874 O GLN A 120 -19.484 -14.513 5.229 1.00 6.55 O ATOM 1875 CB GLN A 120 -16.905 -12.705 5.590 1.00 6.11 C ATOM 1876 CG GLN A 120 -17.830 -11.928 4.665 1.00 5.63 C ATOM 1877 CD GLN A 120 -17.563 -10.440 4.684 1.00 5.87 C ATOM 1878 OE1 GLN A 120 -18.145 -9.699 5.475 1.00 6.60 O ATOM 1879 NE2 GLN A 120 -16.673 -9.994 3.813 1.00 5.58 N ATOM 0 H GLN A 120 -17.763 -14.858 3.655 1.00 5.58 H new ATOM 0 HA GLN A 120 -16.404 -14.700 6.202 1.00 6.13 H new ATOM 0 HB2 GLN A 120 -17.053 -12.359 6.613 1.00 6.11 H new ATOM 0 HB3 GLN A 120 -15.871 -12.485 5.326 1.00 6.11 H new ATOM 0 HG2 GLN A 120 -17.715 -12.300 3.647 1.00 5.63 H new ATOM 0 HG3 GLN A 120 -18.864 -12.111 4.956 1.00 5.63 H new ATOM 0 HE21 GLN A 120 -16.214 -10.644 3.175 1.00 5.58 H new ATOM 0 HE22 GLN A 120 -16.446 -9.000 3.779 1.00 5.58 H new ATOM 1888 N SER A 121 -18.663 -14.908 7.281 1.00 7.13 N ATOM 1889 CA SER A 121 -19.962 -15.227 7.849 1.00 7.72 C ATOM 1890 C SER A 121 -20.195 -14.439 9.131 1.00 8.45 C ATOM 1891 O SER A 121 -19.663 -14.783 10.185 1.00 8.94 O ATOM 1892 CB SER A 121 -20.066 -16.728 8.127 1.00 8.20 C ATOM 1893 OG SER A 121 -19.888 -17.485 6.942 1.00 8.19 O ATOM 0 H SER A 121 -17.886 -14.976 7.938 1.00 7.13 H new ATOM 0 HA SER A 121 -20.730 -14.949 7.127 1.00 7.72 H new ATOM 0 HB2 SER A 121 -19.315 -17.017 8.862 1.00 8.20 H new ATOM 0 HB3 SER A 121 -21.040 -16.953 8.562 1.00 8.20 H new ATOM 0 HG SER A 121 -19.958 -18.440 7.150 1.00 8.19 H new ATOM 1899 N MET A 122 -20.969 -13.365 9.032 1.00 8.75 N ATOM 1900 CA MET A 122 -21.292 -12.558 10.203 1.00 9.65 C ATOM 1901 C MET A 122 -22.362 -13.249 11.042 1.00 10.25 C ATOM 1902 O MET A 122 -22.309 -13.223 12.271 1.00 10.41 O ATOM 1903 CB MET A 122 -21.762 -11.157 9.791 1.00 10.15 C ATOM 1904 CG MET A 122 -20.687 -10.325 9.102 1.00 10.49 C ATOM 1905 SD MET A 122 -21.205 -8.620 8.801 1.00 11.41 S ATOM 1906 CE MET A 122 -22.645 -8.867 7.764 1.00 12.10 C ATOM 0 H MET A 122 -21.382 -13.034 8.160 1.00 8.75 H new ATOM 0 HA MET A 122 -20.388 -12.451 10.802 1.00 9.65 H new ATOM 0 HB2 MET A 122 -22.618 -11.253 9.123 1.00 10.15 H new ATOM 0 HB3 MET A 122 -22.108 -10.625 10.677 1.00 10.15 H new ATOM 0 HG2 MET A 122 -19.787 -10.323 9.716 1.00 10.49 H new ATOM 0 HG3 MET A 122 -20.425 -10.793 8.153 1.00 10.49 H new ATOM 0 HE1 MET A 122 -22.913 -7.926 7.284 1.00 12.10 H new ATOM 0 HE2 MET A 122 -22.421 -9.613 7.001 1.00 12.10 H new ATOM 0 HE3 MET A 122 -23.479 -9.213 8.375 1.00 12.10 H new ATOM 1916 N LEU A 123 -23.315 -13.879 10.348 1.00 10.78 N ATOM 1917 CA LEU A 123 -24.405 -14.636 10.974 1.00 11.56 C ATOM 1918 C LEU A 123 -25.367 -13.718 11.724 1.00 12.24 C ATOM 1919 O LEU A 123 -25.038 -13.163 12.775 1.00 12.56 O ATOM 1920 CB LEU A 123 -23.859 -15.715 11.915 1.00 11.96 C ATOM 1921 CG LEU A 123 -22.953 -16.753 11.252 1.00 12.24 C ATOM 1922 CD1 LEU A 123 -22.496 -17.785 12.269 1.00 12.82 C ATOM 1923 CD2 LEU A 123 -23.670 -17.424 10.092 1.00 12.37 C ATOM 0 H LEU A 123 -23.352 -13.878 9.329 1.00 10.78 H new ATOM 0 HA LEU A 123 -24.959 -15.124 10.172 1.00 11.56 H new ATOM 0 HB2 LEU A 123 -23.303 -15.229 12.717 1.00 11.96 H new ATOM 0 HB3 LEU A 123 -24.700 -16.232 12.378 1.00 11.96 H new ATOM 0 HG LEU A 123 -22.073 -16.243 10.860 1.00 12.24 H new ATOM 0 HD11 LEU A 123 -21.852 -18.517 11.781 1.00 12.82 H new ATOM 0 HD12 LEU A 123 -21.943 -17.289 13.067 1.00 12.82 H new ATOM 0 HD13 LEU A 123 -23.365 -18.290 12.690 1.00 12.82 H new ATOM 0 HD21 LEU A 123 -23.010 -18.159 9.633 1.00 12.37 H new ATOM 0 HD22 LEU A 123 -24.568 -17.921 10.458 1.00 12.37 H new ATOM 0 HD23 LEU A 123 -23.947 -16.673 9.352 1.00 12.37 H new ATOM 1935 N SER A 124 -26.555 -13.559 11.174 1.00 12.64 N ATOM 1936 CA SER A 124 -27.568 -12.713 11.773 1.00 13.47 C ATOM 1937 C SER A 124 -28.911 -13.429 11.752 1.00 14.22 C ATOM 1938 O SER A 124 -29.342 -13.918 12.820 1.00 14.64 O ATOM 1939 CB SER A 124 -27.650 -11.381 11.023 1.00 13.50 C ATOM 1940 OG SER A 124 -26.379 -10.745 10.991 1.00 13.01 O ATOM 1941 OXT SER A 124 -29.505 -13.545 10.663 1.00 14.49 O ATOM 0 H SER A 124 -26.844 -14.009 10.305 1.00 12.64 H new ATOM 0 HA SER A 124 -27.300 -12.505 12.809 1.00 13.47 H new ATOM 0 HB2 SER A 124 -28.003 -11.551 10.006 1.00 13.50 H new ATOM 0 HB3 SER A 124 -28.377 -10.729 11.508 1.00 13.50 H new ATOM 0 HG SER A 124 -26.450 -9.896 10.507 1.00 13.01 H new TER 1947 SER A 124