USER MOD reduce.3.24.130724 H: found=0, std=0, add=1352, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1325 hydrogens (76 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 201 DAL H2 : B 201 DAL N : B 211 ALA C :(H bumps) USER MOD NoAdj-H: B 202 MLE H : B 202 MLE N : B 201 DAL C :(H bumps) USER MOD NoAdj-H: B 203 MLE H : B 203 MLE N : B 202 MLE C :(H bumps) USER MOD NoAdj-H: B 204 MVA H : B 204 MVA N : B 203 MLE C :(H bumps) USER MOD NoAdj-H: B 205 BMT H : B 205 BMT N : B 204 MVA C :(H bumps) USER MOD NoAdj-H: B 206 ABA HN2 : B 206 ABA N : B 205 BMT C :(H bumps) USER MOD NoAdj-H: B 207 SAR H : B 207 SAR N : B 206 ABA C :(H bumps) USER MOD NoAdj-H: B 208 MLE H : B 208 MLE N : B 207 SAR C :(H bumps) USER MOD NoAdj-H: B 210 MLE H : B 210 MLE N : B 209 VAL C :(H bumps) USER MOD Set 1.1: A 115 CYS SG : rot -91:sc= 1.92 USER MOD Set 1.2: A 119 THR OG1 : rot -95:sc= 1.11 USER MOD Set 2.1: A 100 MET CE :methyl 158:sc= 0 (180deg=-0.048) USER MOD Set 2.2: A 102 ASN : amide:sc= 1.02 K(o=-0.38,f=-2.5) USER MOD Set 2.3: A 108 ASN : amide:sc= -1.4 K(o=-0.38,f=-4) USER MOD Set 3.1: A 54 HIS : no HD1:sc= -0.967 X(o=0.79,f=0.58) USER MOD Set 3.2: A 63 GLN : amide:sc= 0.0506 X(o=0.79,f=0.58) USER MOD Set 3.3: A 73 THR OG1 : rot -56:sc= 1.11 USER MOD Set 3.4: A 110 SER OG : rot -176:sc= 0.0936 USER MOD Set 3.5: A 111 GLN :FLIP amide:sc= 0.508 X(o=0.33,f=0.79) USER MOD Set 4.1: A 62 CYS SG : rot -79:sc= 0.0422 USER MOD Set 4.2: A 142 MET CE :methyl 176:sc= -0.817 (180deg=-0.857) USER MOD Set 5.1: A 31 LYS NZ :NH3+ 176:sc= 0.418 (180deg=-0.551) USER MOD Set 5.2: A 79 TYR OH : rot 91:sc= 1.65 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.716 (180deg=-0.417) USER MOD Single : A 3 ASN : amide:sc= -0.532 K(o=-0.53,f=-9.4!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -171:sc= 0.88 USER MOD Single : A 28 LYS NZ :NH3+ 145:sc= 1.15 (180deg=-0.366) USER MOD Single : A 32 THR OG1 : rot 148:sc= 1.08 USER MOD Single : A 35 ASN :FLIP amide:sc= 1.34 F(o=-0.47,f=1.3) USER MOD Single : A 40 SER OG : rot 70:sc= 0.967 USER MOD Single : A 41 THR OG1 : rot 15:sc= 0.0574 USER MOD Single : A 44 LYS NZ :NH3+ -169:sc= -0.338! (180deg=-0.729!) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0196 USER MOD Single : A 49 LYS NZ :NH3+ 170:sc= 1.17 (180deg=0.929) USER MOD Single : A 51 SER OG : rot 180:sc= 0.0487 USER MOD Single : A 52 CYS SG : rot 180:sc= -0.135 USER MOD Single : A 61 MET CE :methyl -174:sc= 0 (180deg=-0.0181) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.00013 X(o=0.00013,f=-0.34) USER MOD Single : A 71 ASN : amide:sc= -0.38 K(o=-0.38,f=-7.7!) USER MOD Single : A 76 LYS NZ :NH3+ -128:sc= 2.02 (180deg=1.53) USER MOD Single : A 77 SER OG : rot 79:sc= 1.15! USER MOD Single : A 82 LYS NZ :NH3+ -146:sc= 1.09 (180deg=0.632) USER MOD Single : A 87 ASN :FLIP amide:sc= -0.0207 F(o=-0.6,f=-0.021) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0.92 (180deg=0.921) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -4.44! C(o=-5.1!,f=-4.4!) USER MOD Single : A 93 THR OG1 : rot 169:sc= -0.373 USER MOD Single : A 99 SER OG : rot 78:sc= 0.633! USER MOD Single : A 106 ASN : amide:sc= -0.583 K(o=-0.58,f=-2.4) USER MOD Single : A 107 THR OG1 : rot 90:sc= -0.21 USER MOD Single : A 116 THR OG1 : rot 171:sc= 1.08 USER MOD Single : A 118 LYS NZ :NH3+ 151:sc= 1.66 (180deg=-0.616!) USER MOD Single : A 125 LYS NZ :NH3+ 166:sc= 1.3 (180deg=0.812) USER MOD Single : A 126 HIS : no HE2:sc= -4.53! C(o=-4.5!,f=-9.9!) USER MOD Single : A 131 LYS NZ :NH3+ 162:sc= 0.0727 (180deg=-0.839!) USER MOD Single : A 133 LYS NZ :NH3+ 138:sc= 1.03 (180deg=0.356) USER MOD Single : A 136 MET CE :methyl 148:sc= -0.425 (180deg=-1.63!) USER MOD Single : A 137 ASN : amide:sc= 0.473 X(o=0.47,f=0) USER MOD Single : A 147 SER OG : rot -24:sc= 0.68 USER MOD Single : A 149 ASN : amide:sc= -0.727 K(o=-0.73,f=-2.8!) USER MOD Single : A 151 LYS NZ :NH3+ -151:sc= 1.22 (180deg=0.405) USER MOD Single : A 152 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 153 SER OG : rot -9:sc= 0.617 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 157 THR OG1 : rot 180:sc= 0 USER MOD Single : A 161 CYS SG : rot -143:sc= 0.383 USER MOD Single : A 163 GLN : amide:sc= 1.62 K(o=1.6,f=-6.2!) USER MOD Single : B 205 BMT OG1 : rot -106:sc= -3.82! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.669 -21.750 -6.661 1.00 5.98 N ATOM 2 CA MET A 1 2.663 -20.749 -6.345 1.00 5.33 C ATOM 3 C MET A 1 2.227 -19.995 -7.603 1.00 3.96 C ATOM 4 O MET A 1 2.892 -20.064 -8.636 1.00 4.88 O ATOM 5 CB MET A 1 3.230 -19.758 -5.327 1.00 6.72 C ATOM 6 CG MET A 1 4.559 -19.175 -5.812 1.00 7.73 C ATOM 7 SD MET A 1 5.921 -20.039 -5.047 1.00 9.36 S ATOM 8 CE MET A 1 6.011 -19.163 -3.494 1.00 10.76 C ATOM 0 H1 MET A 1 3.254 -22.699 -6.573 1.00 5.98 H new ATOM 0 H2 MET A 1 4.006 -21.609 -7.635 1.00 5.98 H new ATOM 0 H3 MET A 1 4.468 -21.659 -6.002 1.00 5.98 H new ATOM 0 HA MET A 1 1.793 -21.255 -5.927 1.00 5.33 H new ATOM 0 HB2 MET A 1 2.515 -18.953 -5.160 1.00 6.72 H new ATOM 0 HB3 MET A 1 3.376 -20.258 -4.369 1.00 6.72 H new ATOM 0 HG2 MET A 1 4.628 -19.259 -6.897 1.00 7.73 H new ATOM 0 HG3 MET A 1 4.609 -18.113 -5.570 1.00 7.73 H new ATOM 0 HE1 MET A 1 6.816 -19.578 -2.888 1.00 10.76 H new ATOM 0 HE2 MET A 1 6.206 -18.107 -3.683 1.00 10.76 H new ATOM 0 HE3 MET A 1 5.065 -19.268 -2.962 1.00 10.76 H new ATOM 18 N VAL A 2 1.111 -19.292 -7.476 1.00 2.84 N ATOM 19 CA VAL A 2 0.581 -18.522 -8.588 1.00 2.85 C ATOM 20 C VAL A 2 0.166 -17.135 -8.090 1.00 2.48 C ATOM 21 O VAL A 2 0.509 -16.125 -8.701 1.00 3.62 O ATOM 22 CB VAL A 2 -0.565 -19.285 -9.255 1.00 3.65 C ATOM 23 CG1 VAL A 2 -0.074 -20.612 -9.837 1.00 4.55 C ATOM 24 CG2 VAL A 2 -1.718 -19.510 -8.273 1.00 3.95 C ATOM 0 H VAL A 2 0.559 -19.240 -6.620 1.00 2.84 H new ATOM 0 HA VAL A 2 1.345 -18.379 -9.352 1.00 2.85 H new ATOM 0 HB VAL A 2 -0.939 -18.676 -10.078 1.00 3.65 H new ATOM 0 HG11 VAL A 2 -0.908 -21.135 -10.305 1.00 4.55 H new ATOM 0 HG12 VAL A 2 0.698 -20.419 -10.582 1.00 4.55 H new ATOM 0 HG13 VAL A 2 0.339 -21.229 -9.039 1.00 4.55 H new ATOM 0 HG21 VAL A 2 -2.520 -20.054 -8.772 1.00 3.95 H new ATOM 0 HG22 VAL A 2 -1.362 -20.089 -7.421 1.00 3.95 H new ATOM 0 HG23 VAL A 2 -2.094 -18.547 -7.927 1.00 3.95 H new ATOM 34 N ASN A 3 -0.565 -17.133 -6.986 1.00 1.33 N ATOM 35 CA ASN A 3 -1.011 -15.886 -6.387 1.00 1.09 C ATOM 36 C ASN A 3 -1.157 -16.075 -4.876 1.00 1.13 C ATOM 37 O ASN A 3 -2.271 -16.194 -4.365 1.00 1.62 O ATOM 38 CB ASN A 3 -2.372 -15.464 -6.943 1.00 1.21 C ATOM 39 CG ASN A 3 -2.293 -15.204 -8.450 1.00 1.60 C ATOM 40 OD1 ASN A 3 -1.547 -14.361 -8.922 1.00 2.72 O ATOM 41 ND2 ASN A 3 -3.099 -15.974 -9.174 1.00 1.64 N ATOM 0 H ASN A 3 -0.860 -17.974 -6.490 1.00 1.33 H new ATOM 0 HA ASN A 3 -0.273 -15.118 -6.618 1.00 1.09 H new ATOM 0 HB2 ASN A 3 -3.108 -16.243 -6.743 1.00 1.21 H new ATOM 0 HB3 ASN A 3 -2.714 -14.564 -6.433 1.00 1.21 H new ATOM 0 HD21 ASN A 3 -3.119 -15.879 -10.189 1.00 1.64 H new ATOM 0 HD22 ASN A 3 -3.698 -16.660 -8.714 1.00 1.64 H new ATOM 48 N PRO A 4 0.013 -16.097 -4.183 1.00 0.98 N ATOM 49 CA PRO A 4 0.040 -16.418 -2.766 1.00 1.32 C ATOM 50 C PRO A 4 -0.474 -15.245 -1.929 1.00 1.01 C ATOM 51 O PRO A 4 -0.647 -14.140 -2.442 1.00 0.86 O ATOM 52 CB PRO A 4 1.488 -16.771 -2.470 1.00 1.77 C ATOM 53 CG PRO A 4 2.302 -16.190 -3.615 1.00 1.65 C ATOM 54 CD PRO A 4 1.338 -15.818 -4.730 1.00 1.08 C ATOM 0 HA PRO A 4 -0.618 -17.248 -2.510 1.00 1.32 H new ATOM 0 HB2 PRO A 4 1.804 -16.353 -1.514 1.00 1.77 H new ATOM 0 HB3 PRO A 4 1.621 -17.851 -2.405 1.00 1.77 H new ATOM 0 HG2 PRO A 4 2.857 -15.313 -3.282 1.00 1.65 H new ATOM 0 HG3 PRO A 4 3.034 -16.915 -3.970 1.00 1.65 H new ATOM 0 HD2 PRO A 4 1.439 -14.769 -5.007 1.00 1.08 H new ATOM 0 HD3 PRO A 4 1.527 -16.405 -5.629 1.00 1.08 H new ATOM 62 N THR A 5 -0.702 -15.524 -0.654 1.00 1.20 N ATOM 63 CA THR A 5 -1.178 -14.503 0.263 1.00 0.93 C ATOM 64 C THR A 5 -0.062 -14.083 1.219 1.00 0.83 C ATOM 65 O THR A 5 0.717 -14.918 1.676 1.00 1.04 O ATOM 66 CB THR A 5 -2.417 -15.049 0.976 1.00 1.00 C ATOM 67 OG1 THR A 5 -3.324 -15.346 -0.081 1.00 1.30 O ATOM 68 CG2 THR A 5 -3.139 -13.978 1.797 1.00 1.07 C ATOM 0 H THR A 5 -0.566 -16.444 -0.234 1.00 1.20 H new ATOM 0 HA THR A 5 -1.465 -13.596 -0.269 1.00 0.93 H new ATOM 0 HB THR A 5 -2.127 -15.873 1.628 1.00 1.00 H new ATOM 0 HG1 THR A 5 -4.155 -15.707 0.293 1.00 1.30 H new ATOM 0 HG21 THR A 5 -4.010 -14.418 2.282 1.00 1.07 H new ATOM 0 HG22 THR A 5 -2.462 -13.583 2.555 1.00 1.07 H new ATOM 0 HG23 THR A 5 -3.459 -13.170 1.139 1.00 1.07 H new ATOM 76 N VAL A 6 -0.019 -12.787 1.495 1.00 0.66 N ATOM 77 CA VAL A 6 1.001 -12.242 2.375 1.00 0.73 C ATOM 78 C VAL A 6 0.335 -11.684 3.635 1.00 0.74 C ATOM 79 O VAL A 6 -0.853 -11.365 3.625 1.00 0.75 O ATOM 80 CB VAL A 6 1.835 -11.200 1.628 1.00 0.85 C ATOM 81 CG1 VAL A 6 2.692 -11.859 0.545 1.00 1.44 C ATOM 82 CG2 VAL A 6 0.944 -10.108 1.035 1.00 1.28 C ATOM 0 H VAL A 6 -0.674 -12.099 1.124 1.00 0.66 H new ATOM 0 HA VAL A 6 1.691 -13.024 2.691 1.00 0.73 H new ATOM 0 HB VAL A 6 2.507 -10.730 2.346 1.00 0.85 H new ATOM 0 HG11 VAL A 6 3.275 -11.097 0.029 1.00 1.44 H new ATOM 0 HG12 VAL A 6 3.366 -12.582 1.004 1.00 1.44 H new ATOM 0 HG13 VAL A 6 2.046 -12.368 -0.170 1.00 1.44 H new ATOM 0 HG21 VAL A 6 1.562 -9.380 0.509 1.00 1.28 H new ATOM 0 HG22 VAL A 6 0.236 -10.555 0.337 1.00 1.28 H new ATOM 0 HG23 VAL A 6 0.398 -9.609 1.836 1.00 1.28 H new ATOM 92 N PHE A 7 1.130 -11.583 4.690 1.00 0.99 N ATOM 93 CA PHE A 7 0.611 -11.162 5.980 1.00 1.23 C ATOM 94 C PHE A 7 0.848 -9.667 6.205 1.00 0.81 C ATOM 95 O PHE A 7 1.801 -9.099 5.673 1.00 1.14 O ATOM 96 CB PHE A 7 1.369 -11.953 7.048 1.00 1.98 C ATOM 97 CG PHE A 7 0.505 -12.381 8.236 1.00 1.04 C ATOM 98 CD1 PHE A 7 -0.596 -13.154 8.033 1.00 2.54 C ATOM 99 CD2 PHE A 7 0.839 -11.989 9.494 1.00 2.14 C ATOM 100 CE1 PHE A 7 -1.397 -13.551 9.136 1.00 4.08 C ATOM 101 CE2 PHE A 7 0.037 -12.387 10.597 1.00 3.36 C ATOM 102 CZ PHE A 7 -1.064 -13.160 10.395 1.00 4.20 C ATOM 0 H PHE A 7 2.130 -11.785 4.678 1.00 0.99 H new ATOM 0 HA PHE A 7 -0.463 -11.343 6.026 1.00 1.23 H new ATOM 0 HB2 PHE A 7 1.802 -12.841 6.588 1.00 1.98 H new ATOM 0 HB3 PHE A 7 2.198 -11.347 7.414 1.00 1.98 H new ATOM 0 HD1 PHE A 7 -0.861 -13.465 7.033 1.00 2.54 H new ATOM 0 HD2 PHE A 7 1.713 -11.376 9.655 1.00 2.14 H new ATOM 0 HE1 PHE A 7 -2.271 -14.164 8.975 1.00 4.08 H new ATOM 0 HE2 PHE A 7 0.302 -12.076 11.597 1.00 3.36 H new ATOM 0 HZ PHE A 7 -1.673 -13.463 11.234 1.00 4.20 H new ATOM 112 N PHE A 8 -0.034 -9.072 6.995 1.00 0.91 N ATOM 113 CA PHE A 8 0.082 -7.660 7.317 1.00 0.95 C ATOM 114 C PHE A 8 -0.786 -7.300 8.524 1.00 0.92 C ATOM 115 O PHE A 8 -1.994 -7.532 8.515 1.00 1.16 O ATOM 116 CB PHE A 8 -0.412 -6.882 6.096 1.00 1.66 C ATOM 117 CG PHE A 8 0.367 -5.592 5.823 1.00 1.16 C ATOM 118 CD1 PHE A 8 0.032 -4.446 6.474 1.00 2.44 C ATOM 119 CD2 PHE A 8 1.391 -5.594 4.930 1.00 1.98 C ATOM 120 CE1 PHE A 8 0.754 -3.250 6.220 1.00 3.43 C ATOM 121 CE2 PHE A 8 2.113 -4.398 4.676 1.00 2.63 C ATOM 122 CZ PHE A 8 1.780 -3.251 5.327 1.00 3.15 C ATOM 0 H PHE A 8 -0.832 -9.542 7.422 1.00 0.91 H new ATOM 0 HA PHE A 8 1.116 -7.417 7.563 1.00 0.95 H new ATOM 0 HB2 PHE A 8 -0.349 -7.525 5.218 1.00 1.66 H new ATOM 0 HB3 PHE A 8 -1.465 -6.636 6.236 1.00 1.66 H new ATOM 0 HD1 PHE A 8 -0.782 -4.446 7.183 1.00 2.44 H new ATOM 0 HD2 PHE A 8 1.656 -6.505 4.414 1.00 1.98 H new ATOM 0 HE1 PHE A 8 0.488 -2.339 6.736 1.00 3.43 H new ATOM 0 HE2 PHE A 8 2.927 -4.399 3.966 1.00 2.63 H new ATOM 0 HZ PHE A 8 2.330 -2.342 5.135 1.00 3.15 H new ATOM 132 N ASP A 9 -0.138 -6.738 9.533 1.00 0.87 N ATOM 133 CA ASP A 9 -0.845 -6.291 10.721 1.00 0.90 C ATOM 134 C ASP A 9 -0.558 -4.806 10.951 1.00 0.88 C ATOM 135 O ASP A 9 0.555 -4.340 10.710 1.00 1.03 O ATOM 136 CB ASP A 9 -0.382 -7.060 11.959 1.00 0.98 C ATOM 137 CG ASP A 9 -1.136 -8.362 12.232 1.00 2.31 C ATOM 138 OD1 ASP A 9 -1.217 -9.178 11.288 1.00 4.04 O ATOM 139 OD2 ASP A 9 -1.616 -8.513 13.376 1.00 2.45 O ATOM 0 H ASP A 9 0.870 -6.582 9.553 1.00 0.87 H new ATOM 0 HA ASP A 9 -1.910 -6.466 10.566 1.00 0.90 H new ATOM 0 HB2 ASP A 9 0.678 -7.288 11.851 1.00 0.98 H new ATOM 0 HB3 ASP A 9 -0.481 -6.411 12.829 1.00 0.98 H new ATOM 144 N ILE A 10 -1.580 -4.103 11.416 1.00 0.78 N ATOM 145 CA ILE A 10 -1.479 -2.664 11.596 1.00 0.88 C ATOM 146 C ILE A 10 -1.252 -2.355 13.077 1.00 1.05 C ATOM 147 O ILE A 10 -1.760 -3.061 13.947 1.00 1.13 O ATOM 148 CB ILE A 10 -2.702 -1.963 11.002 1.00 0.79 C ATOM 149 CG1 ILE A 10 -2.937 -2.401 9.555 1.00 0.94 C ATOM 150 CG2 ILE A 10 -2.578 -0.443 11.128 1.00 1.14 C ATOM 151 CD1 ILE A 10 -1.696 -2.144 8.696 1.00 1.40 C ATOM 0 H ILE A 10 -2.482 -4.503 11.674 1.00 0.78 H new ATOM 0 HA ILE A 10 -0.620 -2.271 11.052 1.00 0.88 H new ATOM 0 HB ILE A 10 -3.579 -2.263 11.575 1.00 0.79 H new ATOM 0 HG12 ILE A 10 -3.189 -3.461 9.528 1.00 0.94 H new ATOM 0 HG13 ILE A 10 -3.788 -1.861 9.141 1.00 0.94 H new ATOM 0 HG21 ILE A 10 -3.460 0.031 10.698 1.00 1.14 H new ATOM 0 HG22 ILE A 10 -2.496 -0.171 12.180 1.00 1.14 H new ATOM 0 HG23 ILE A 10 -1.689 -0.105 10.596 1.00 1.14 H new ATOM 0 HD11 ILE A 10 -1.889 -2.464 7.672 1.00 1.40 H new ATOM 0 HD12 ILE A 10 -1.461 -1.080 8.705 1.00 1.40 H new ATOM 0 HD13 ILE A 10 -0.852 -2.705 9.098 1.00 1.40 H new ATOM 163 N ALA A 11 -0.488 -1.299 13.318 1.00 1.26 N ATOM 164 CA ALA A 11 -0.261 -0.835 14.676 1.00 1.48 C ATOM 165 C ALA A 11 -0.541 0.667 14.751 1.00 1.52 C ATOM 166 O ALA A 11 0.101 1.457 14.060 1.00 1.63 O ATOM 167 CB ALA A 11 1.166 -1.183 15.103 1.00 1.74 C ATOM 0 H ALA A 11 -0.019 -0.752 12.596 1.00 1.26 H new ATOM 0 HA ALA A 11 -0.939 -1.332 15.369 1.00 1.48 H new ATOM 0 HB1 ALA A 11 1.336 -0.835 16.122 1.00 1.74 H new ATOM 0 HB2 ALA A 11 1.305 -2.263 15.061 1.00 1.74 H new ATOM 0 HB3 ALA A 11 1.875 -0.699 14.431 1.00 1.74 H new ATOM 173 N VAL A 12 -1.501 1.017 15.594 1.00 1.49 N ATOM 174 CA VAL A 12 -1.828 2.415 15.818 1.00 1.55 C ATOM 175 C VAL A 12 -1.270 2.855 17.172 1.00 1.74 C ATOM 176 O VAL A 12 -1.821 2.510 18.217 1.00 1.83 O ATOM 177 CB VAL A 12 -3.339 2.624 15.699 1.00 1.47 C ATOM 178 CG1 VAL A 12 -3.728 4.051 16.090 1.00 1.47 C ATOM 179 CG2 VAL A 12 -3.829 2.289 14.288 1.00 1.41 C ATOM 0 H VAL A 12 -2.063 0.356 16.130 1.00 1.49 H new ATOM 0 HA VAL A 12 -1.364 3.042 15.056 1.00 1.55 H new ATOM 0 HB VAL A 12 -3.827 1.942 16.395 1.00 1.47 H new ATOM 0 HG11 VAL A 12 -4.807 4.173 15.996 1.00 1.47 H new ATOM 0 HG12 VAL A 12 -3.430 4.240 17.121 1.00 1.47 H new ATOM 0 HG13 VAL A 12 -3.225 4.759 15.431 1.00 1.47 H new ATOM 0 HG21 VAL A 12 -4.906 2.446 14.230 1.00 1.41 H new ATOM 0 HG22 VAL A 12 -3.329 2.935 13.566 1.00 1.41 H new ATOM 0 HG23 VAL A 12 -3.601 1.247 14.062 1.00 1.41 H new ATOM 189 N ASP A 13 -0.182 3.608 17.111 1.00 1.85 N ATOM 190 CA ASP A 13 0.441 4.123 18.319 1.00 2.04 C ATOM 191 C ASP A 13 0.723 2.961 19.276 1.00 2.26 C ATOM 192 O ASP A 13 -0.029 2.737 20.223 1.00 2.31 O ATOM 193 CB ASP A 13 -0.479 5.113 19.036 1.00 1.93 C ATOM 194 CG ASP A 13 -1.286 6.028 18.114 1.00 1.97 C ATOM 195 OD1 ASP A 13 -0.718 6.434 17.076 1.00 3.12 O ATOM 196 OD2 ASP A 13 -2.453 6.302 18.467 1.00 1.93 O ATOM 0 H ASP A 13 0.285 3.874 16.244 1.00 1.85 H new ATOM 0 HA ASP A 13 1.362 4.631 18.033 1.00 2.04 H new ATOM 0 HB2 ASP A 13 -1.172 4.553 19.664 1.00 1.93 H new ATOM 0 HB3 ASP A 13 0.125 5.732 19.700 1.00 1.93 H new ATOM 201 N GLY A 14 1.809 2.256 18.995 1.00 2.44 N ATOM 202 CA GLY A 14 2.250 1.183 19.870 1.00 2.69 C ATOM 203 C GLY A 14 1.067 0.328 20.329 1.00 2.60 C ATOM 204 O GLY A 14 0.989 -0.055 21.496 1.00 2.83 O ATOM 0 H GLY A 14 2.396 2.407 18.175 1.00 2.44 H new ATOM 0 HA2 GLY A 14 2.974 0.558 19.348 1.00 2.69 H new ATOM 0 HA3 GLY A 14 2.758 1.603 20.738 1.00 2.69 H new ATOM 208 N GLU A 15 0.175 0.053 19.388 1.00 2.30 N ATOM 209 CA GLU A 15 -0.985 -0.774 19.674 1.00 2.24 C ATOM 210 C GLU A 15 -1.446 -1.497 18.408 1.00 1.95 C ATOM 211 O GLU A 15 -1.713 -0.863 17.389 1.00 1.88 O ATOM 212 CB GLU A 15 -2.118 0.061 20.273 1.00 2.24 C ATOM 213 CG GLU A 15 -3.109 -0.825 21.032 1.00 2.41 C ATOM 214 CD GLU A 15 -2.579 -1.174 22.423 1.00 3.59 C ATOM 215 OE1 GLU A 15 -2.862 -0.387 23.352 1.00 4.17 O ATOM 216 OE2 GLU A 15 -1.901 -2.219 22.527 1.00 4.75 O ATOM 0 H GLU A 15 0.233 0.389 18.427 1.00 2.30 H new ATOM 0 HA GLU A 15 -0.700 -1.523 20.413 1.00 2.24 H new ATOM 0 HB2 GLU A 15 -1.705 0.811 20.947 1.00 2.24 H new ATOM 0 HB3 GLU A 15 -2.638 0.598 19.479 1.00 2.24 H new ATOM 0 HG2 GLU A 15 -4.066 -0.311 21.122 1.00 2.41 H new ATOM 0 HG3 GLU A 15 -3.290 -1.740 20.468 1.00 2.41 H new ATOM 223 N PRO A 16 -1.528 -2.850 18.516 1.00 1.79 N ATOM 224 CA PRO A 16 -1.904 -3.671 17.378 1.00 1.55 C ATOM 225 C PRO A 16 -3.405 -3.569 17.100 1.00 1.53 C ATOM 226 O PRO A 16 -4.221 -3.997 17.915 1.00 1.61 O ATOM 227 CB PRO A 16 -1.463 -5.079 17.744 1.00 1.45 C ATOM 228 CG PRO A 16 -1.280 -5.079 19.253 1.00 1.63 C ATOM 229 CD PRO A 16 -1.264 -3.633 19.721 1.00 1.84 C ATOM 0 HA PRO A 16 -1.429 -3.347 16.452 1.00 1.55 H new ATOM 0 HB2 PRO A 16 -2.209 -5.813 17.441 1.00 1.45 H new ATOM 0 HB3 PRO A 16 -0.534 -5.341 17.238 1.00 1.45 H new ATOM 0 HG2 PRO A 16 -2.089 -5.627 19.736 1.00 1.63 H new ATOM 0 HG3 PRO A 16 -0.350 -5.578 19.525 1.00 1.63 H new ATOM 0 HD2 PRO A 16 -2.023 -3.455 20.483 1.00 1.84 H new ATOM 0 HD3 PRO A 16 -0.302 -3.370 20.161 1.00 1.84 H new ATOM 237 N LEU A 17 -3.724 -2.998 15.948 1.00 1.47 N ATOM 238 CA LEU A 17 -5.111 -2.752 15.593 1.00 1.53 C ATOM 239 C LEU A 17 -5.810 -4.088 15.329 1.00 1.32 C ATOM 240 O LEU A 17 -6.938 -4.301 15.772 1.00 1.57 O ATOM 241 CB LEU A 17 -5.199 -1.770 14.423 1.00 1.55 C ATOM 242 CG LEU A 17 -6.303 -0.715 14.514 1.00 1.54 C ATOM 243 CD1 LEU A 17 -7.686 -1.368 14.525 1.00 1.49 C ATOM 244 CD2 LEU A 17 -6.090 0.198 15.725 1.00 2.23 C ATOM 0 H LEU A 17 -3.045 -2.698 15.248 1.00 1.47 H new ATOM 0 HA LEU A 17 -5.637 -2.274 16.420 1.00 1.53 H new ATOM 0 HB2 LEU A 17 -4.241 -1.258 14.332 1.00 1.55 H new ATOM 0 HB3 LEU A 17 -5.344 -2.341 13.506 1.00 1.55 H new ATOM 0 HG LEU A 17 -6.251 -0.088 13.624 1.00 1.54 H new ATOM 0 HD11 LEU A 17 -8.452 -0.596 14.590 1.00 1.49 H new ATOM 0 HD12 LEU A 17 -7.825 -1.941 13.608 1.00 1.49 H new ATOM 0 HD13 LEU A 17 -7.767 -2.033 15.384 1.00 1.49 H new ATOM 0 HD21 LEU A 17 -6.888 0.939 15.767 1.00 2.23 H new ATOM 0 HD22 LEU A 17 -6.101 -0.399 16.637 1.00 2.23 H new ATOM 0 HD23 LEU A 17 -5.129 0.705 15.634 1.00 2.23 H new ATOM 256 N GLY A 18 -5.111 -4.952 14.607 1.00 0.99 N ATOM 257 CA GLY A 18 -5.665 -6.245 14.246 1.00 0.98 C ATOM 258 C GLY A 18 -4.896 -6.865 13.079 1.00 0.77 C ATOM 259 O GLY A 18 -3.858 -6.347 12.670 1.00 0.71 O ATOM 0 H GLY A 18 -4.166 -4.781 14.263 1.00 0.99 H new ATOM 0 HA2 GLY A 18 -5.628 -6.913 15.106 1.00 0.98 H new ATOM 0 HA3 GLY A 18 -6.715 -6.132 13.975 1.00 0.98 H new ATOM 263 N ARG A 19 -5.433 -7.966 12.574 1.00 0.99 N ATOM 264 CA ARG A 19 -4.732 -8.750 11.572 1.00 1.14 C ATOM 265 C ARG A 19 -5.384 -8.565 10.200 1.00 1.01 C ATOM 266 O ARG A 19 -6.607 -8.635 10.076 1.00 1.03 O ATOM 267 CB ARG A 19 -4.735 -10.236 11.934 1.00 1.60 C ATOM 268 CG ARG A 19 -3.818 -11.031 11.002 1.00 1.88 C ATOM 269 CD ARG A 19 -4.554 -12.228 10.396 1.00 3.33 C ATOM 270 NE ARG A 19 -5.370 -11.790 9.243 1.00 5.11 N ATOM 271 CZ ARG A 19 -6.647 -12.148 9.046 1.00 7.01 C ATOM 272 NH1 ARG A 19 -7.453 -12.357 10.096 1.00 7.47 N ATOM 273 NH2 ARG A 19 -7.116 -12.298 7.800 1.00 8.93 N ATOM 0 H ARG A 19 -6.346 -8.334 12.841 1.00 0.99 H new ATOM 0 HA ARG A 19 -3.701 -8.398 11.538 1.00 1.14 H new ATOM 0 HB2 ARG A 19 -4.408 -10.363 12.966 1.00 1.60 H new ATOM 0 HB3 ARG A 19 -5.750 -10.627 11.871 1.00 1.60 H new ATOM 0 HG2 ARG A 19 -3.453 -10.383 10.205 1.00 1.88 H new ATOM 0 HG3 ARG A 19 -2.945 -11.378 11.555 1.00 1.88 H new ATOM 0 HD2 ARG A 19 -3.836 -12.984 10.078 1.00 3.33 H new ATOM 0 HD3 ARG A 19 -5.192 -12.692 11.148 1.00 3.33 H new ATOM 0 HE ARG A 19 -4.934 -11.177 8.554 1.00 5.11 H new ATOM 0 HH11 ARG A 19 -7.095 -12.244 11.044 1.00 7.47 H new ATOM 0 HH12 ARG A 19 -8.425 -12.629 9.947 1.00 7.47 H new ATOM 0 HH21 ARG A 19 -6.502 -12.140 7.001 1.00 8.93 H new ATOM 0 HH22 ARG A 19 -8.087 -12.570 7.650 1.00 8.93 H new ATOM 287 N VAL A 20 -4.541 -8.333 9.205 1.00 1.10 N ATOM 288 CA VAL A 20 -5.018 -8.169 7.842 1.00 1.08 C ATOM 289 C VAL A 20 -4.282 -9.149 6.928 1.00 1.23 C ATOM 290 O VAL A 20 -3.172 -9.580 7.238 1.00 2.26 O ATOM 291 CB VAL A 20 -4.863 -6.711 7.406 1.00 1.08 C ATOM 292 CG1 VAL A 20 -5.617 -6.447 6.101 1.00 1.11 C ATOM 293 CG2 VAL A 20 -5.325 -5.756 8.508 1.00 1.15 C ATOM 0 H VAL A 20 -3.530 -8.255 9.315 1.00 1.10 H new ATOM 0 HA VAL A 20 -6.081 -8.402 7.778 1.00 1.08 H new ATOM 0 HB VAL A 20 -3.804 -6.526 7.226 1.00 1.08 H new ATOM 0 HG11 VAL A 20 -5.491 -5.403 5.813 1.00 1.11 H new ATOM 0 HG12 VAL A 20 -5.221 -7.091 5.316 1.00 1.11 H new ATOM 0 HG13 VAL A 20 -6.677 -6.658 6.244 1.00 1.11 H new ATOM 0 HG21 VAL A 20 -5.204 -4.726 8.172 1.00 1.15 H new ATOM 0 HG22 VAL A 20 -6.375 -5.943 8.735 1.00 1.15 H new ATOM 0 HG23 VAL A 20 -4.726 -5.918 9.404 1.00 1.15 H new ATOM 303 N SER A 21 -4.928 -9.472 5.817 1.00 0.94 N ATOM 304 CA SER A 21 -4.332 -10.363 4.836 1.00 0.84 C ATOM 305 C SER A 21 -4.576 -9.825 3.425 1.00 0.73 C ATOM 306 O SER A 21 -5.699 -9.457 3.082 1.00 0.83 O ATOM 307 CB SER A 21 -4.891 -11.781 4.967 1.00 0.91 C ATOM 308 OG SER A 21 -4.969 -12.200 6.328 1.00 1.69 O ATOM 0 H SER A 21 -5.859 -9.132 5.574 1.00 0.94 H new ATOM 0 HA SER A 21 -3.259 -10.407 5.022 1.00 0.84 H new ATOM 0 HB2 SER A 21 -5.883 -11.823 4.517 1.00 0.91 H new ATOM 0 HB3 SER A 21 -4.259 -12.473 4.410 1.00 0.91 H new ATOM 0 HG SER A 21 -5.194 -13.153 6.364 1.00 1.69 H new ATOM 314 N PHE A 22 -3.507 -9.797 2.643 1.00 0.66 N ATOM 315 CA PHE A 22 -3.599 -9.346 1.265 1.00 0.64 C ATOM 316 C PHE A 22 -3.099 -10.424 0.301 1.00 0.61 C ATOM 317 O PHE A 22 -2.106 -11.095 0.574 1.00 0.75 O ATOM 318 CB PHE A 22 -2.705 -8.110 1.138 1.00 0.76 C ATOM 319 CG PHE A 22 -3.100 -6.959 2.064 1.00 0.81 C ATOM 320 CD1 PHE A 22 -4.386 -6.516 2.088 1.00 1.85 C ATOM 321 CD2 PHE A 22 -2.166 -6.377 2.863 1.00 1.64 C ATOM 322 CE1 PHE A 22 -4.754 -5.447 2.948 1.00 2.01 C ATOM 323 CE2 PHE A 22 -2.533 -5.308 3.723 1.00 1.59 C ATOM 324 CZ PHE A 22 -3.819 -4.866 3.747 1.00 1.06 C ATOM 0 H PHE A 22 -2.572 -10.079 2.938 1.00 0.66 H new ATOM 0 HA PHE A 22 -4.636 -9.125 1.014 1.00 0.64 H new ATOM 0 HB2 PHE A 22 -1.675 -8.396 1.350 1.00 0.76 H new ATOM 0 HB3 PHE A 22 -2.733 -7.759 0.107 1.00 0.76 H new ATOM 0 HD1 PHE A 22 -5.128 -6.977 1.453 1.00 1.85 H new ATOM 0 HD2 PHE A 22 -1.145 -6.728 2.844 1.00 1.64 H new ATOM 0 HE1 PHE A 22 -5.775 -5.096 2.967 1.00 2.01 H new ATOM 0 HE2 PHE A 22 -1.791 -4.846 4.358 1.00 1.59 H new ATOM 0 HZ PHE A 22 -4.098 -4.053 4.401 1.00 1.06 H new ATOM 334 N GLU A 23 -3.810 -10.555 -0.810 1.00 0.56 N ATOM 335 CA GLU A 23 -3.402 -11.479 -1.854 1.00 0.59 C ATOM 336 C GLU A 23 -2.795 -10.713 -3.032 1.00 0.78 C ATOM 337 O GLU A 23 -3.278 -9.641 -3.395 1.00 1.68 O ATOM 338 CB GLU A 23 -4.579 -12.344 -2.312 1.00 0.69 C ATOM 339 CG GLU A 23 -5.801 -11.481 -2.634 1.00 1.37 C ATOM 340 CD GLU A 23 -6.775 -12.231 -3.545 1.00 1.65 C ATOM 341 OE1 GLU A 23 -6.530 -12.219 -4.771 1.00 2.71 O ATOM 342 OE2 GLU A 23 -7.744 -12.798 -2.995 1.00 1.84 O ATOM 0 H GLU A 23 -4.666 -10.037 -1.009 1.00 0.56 H new ATOM 0 HA GLU A 23 -2.641 -12.145 -1.446 1.00 0.59 H new ATOM 0 HB2 GLU A 23 -4.292 -12.918 -3.193 1.00 0.69 H new ATOM 0 HB3 GLU A 23 -4.832 -13.063 -1.532 1.00 0.69 H new ATOM 0 HG2 GLU A 23 -6.305 -11.199 -1.710 1.00 1.37 H new ATOM 0 HG3 GLU A 23 -5.482 -10.558 -3.118 1.00 1.37 H new ATOM 349 N LEU A 24 -1.746 -11.293 -3.596 1.00 0.66 N ATOM 350 CA LEU A 24 -0.992 -10.622 -4.640 1.00 0.70 C ATOM 351 C LEU A 24 -1.170 -11.379 -5.958 1.00 0.72 C ATOM 352 O LEU A 24 -1.123 -12.607 -5.983 1.00 0.94 O ATOM 353 CB LEU A 24 0.470 -10.453 -4.222 1.00 0.82 C ATOM 354 CG LEU A 24 0.822 -9.132 -3.534 1.00 1.06 C ATOM 355 CD1 LEU A 24 -0.152 -8.831 -2.393 1.00 2.25 C ATOM 356 CD2 LEU A 24 2.277 -9.131 -3.059 1.00 2.10 C ATOM 0 H LEU A 24 -1.401 -12.221 -3.349 1.00 0.66 H new ATOM 0 HA LEU A 24 -1.374 -9.613 -4.796 1.00 0.70 H new ATOM 0 HB2 LEU A 24 0.732 -11.271 -3.551 1.00 0.82 H new ATOM 0 HB3 LEU A 24 1.095 -10.556 -5.109 1.00 0.82 H new ATOM 0 HG LEU A 24 0.721 -8.330 -4.265 1.00 1.06 H new ATOM 0 HD11 LEU A 24 0.121 -7.887 -1.921 1.00 2.25 H new ATOM 0 HD12 LEU A 24 -1.165 -8.759 -2.789 1.00 2.25 H new ATOM 0 HD13 LEU A 24 -0.107 -9.632 -1.655 1.00 2.25 H new ATOM 0 HD21 LEU A 24 2.501 -8.181 -2.574 1.00 2.10 H new ATOM 0 HD22 LEU A 24 2.429 -9.945 -2.350 1.00 2.10 H new ATOM 0 HD23 LEU A 24 2.939 -9.266 -3.914 1.00 2.10 H new ATOM 368 N PHE A 25 -1.372 -10.613 -7.020 1.00 0.69 N ATOM 369 CA PHE A 25 -1.545 -11.195 -8.341 1.00 0.71 C ATOM 370 C PHE A 25 -0.200 -11.351 -9.053 1.00 0.71 C ATOM 371 O PHE A 25 0.071 -10.657 -10.032 1.00 0.85 O ATOM 372 CB PHE A 25 -2.425 -10.233 -9.141 1.00 0.81 C ATOM 373 CG PHE A 25 -3.868 -10.148 -8.641 1.00 0.81 C ATOM 374 CD1 PHE A 25 -4.577 -11.286 -8.410 1.00 1.40 C ATOM 375 CD2 PHE A 25 -4.443 -8.934 -8.427 1.00 2.11 C ATOM 376 CE1 PHE A 25 -5.917 -11.206 -7.947 1.00 1.44 C ATOM 377 CE2 PHE A 25 -5.782 -8.854 -7.962 1.00 2.19 C ATOM 378 CZ PHE A 25 -6.491 -9.992 -7.732 1.00 1.06 C ATOM 0 H PHE A 25 -1.420 -9.594 -6.993 1.00 0.69 H new ATOM 0 HA PHE A 25 -1.996 -12.184 -8.256 1.00 0.71 H new ATOM 0 HB2 PHE A 25 -1.981 -9.238 -9.108 1.00 0.81 H new ATOM 0 HB3 PHE A 25 -2.431 -10.545 -10.185 1.00 0.81 H new ATOM 0 HD1 PHE A 25 -4.121 -12.250 -8.579 1.00 1.40 H new ATOM 0 HD2 PHE A 25 -3.881 -8.030 -8.611 1.00 2.11 H new ATOM 0 HE1 PHE A 25 -6.480 -12.109 -7.766 1.00 1.44 H new ATOM 0 HE2 PHE A 25 -6.238 -7.890 -7.791 1.00 2.19 H new ATOM 0 HZ PHE A 25 -7.510 -9.931 -7.379 1.00 1.06 H new ATOM 388 N ALA A 26 0.607 -12.264 -8.533 1.00 0.64 N ATOM 389 CA ALA A 26 1.928 -12.501 -9.091 1.00 0.68 C ATOM 390 C ALA A 26 1.785 -13.106 -10.489 1.00 0.74 C ATOM 391 O ALA A 26 2.691 -12.994 -11.313 1.00 0.93 O ATOM 392 CB ALA A 26 2.727 -13.399 -8.146 1.00 0.71 C ATOM 0 H ALA A 26 0.372 -12.849 -7.731 1.00 0.64 H new ATOM 0 HA ALA A 26 2.476 -11.564 -9.192 1.00 0.68 H new ATOM 0 HB1 ALA A 26 3.718 -13.577 -8.564 1.00 0.71 H new ATOM 0 HB2 ALA A 26 2.825 -12.911 -7.176 1.00 0.71 H new ATOM 0 HB3 ALA A 26 2.209 -14.350 -8.023 1.00 0.71 H new ATOM 398 N ASP A 27 0.639 -13.733 -10.714 1.00 0.76 N ATOM 399 CA ASP A 27 0.369 -14.362 -11.995 1.00 0.84 C ATOM 400 C ASP A 27 0.432 -13.305 -13.100 1.00 0.95 C ATOM 401 O ASP A 27 0.958 -13.563 -14.181 1.00 1.41 O ATOM 402 CB ASP A 27 -1.027 -14.986 -12.018 1.00 0.97 C ATOM 403 CG ASP A 27 -1.503 -15.457 -13.395 1.00 1.26 C ATOM 404 OD1 ASP A 27 -1.015 -16.524 -13.829 1.00 1.99 O ATOM 405 OD2 ASP A 27 -2.342 -14.740 -13.981 1.00 2.42 O ATOM 0 H ASP A 27 -0.113 -13.818 -10.030 1.00 0.76 H new ATOM 0 HA ASP A 27 1.115 -15.141 -12.153 1.00 0.84 H new ATOM 0 HB2 ASP A 27 -1.040 -15.836 -11.336 1.00 0.97 H new ATOM 0 HB3 ASP A 27 -1.741 -14.257 -11.633 1.00 0.97 H new ATOM 410 N LYS A 28 -0.112 -12.137 -12.790 1.00 0.94 N ATOM 411 CA LYS A 28 -0.241 -11.084 -13.783 1.00 1.07 C ATOM 412 C LYS A 28 1.038 -10.246 -13.801 1.00 0.95 C ATOM 413 O LYS A 28 1.493 -9.823 -14.862 1.00 1.04 O ATOM 414 CB LYS A 28 -1.509 -10.266 -13.534 1.00 1.36 C ATOM 415 CG LYS A 28 -2.756 -11.041 -13.967 1.00 1.17 C ATOM 416 CD LYS A 28 -3.547 -11.530 -12.753 1.00 2.12 C ATOM 417 CE LYS A 28 -4.851 -12.205 -13.183 1.00 2.23 C ATOM 418 NZ LYS A 28 -4.568 -13.443 -13.943 1.00 3.05 N ATOM 0 H LYS A 28 -0.469 -11.897 -11.865 1.00 0.94 H new ATOM 0 HA LYS A 28 -0.356 -11.512 -14.779 1.00 1.07 H new ATOM 0 HB2 LYS A 28 -1.582 -10.015 -12.476 1.00 1.36 H new ATOM 0 HB3 LYS A 28 -1.453 -9.325 -14.082 1.00 1.36 H new ATOM 0 HG2 LYS A 28 -3.388 -10.403 -14.585 1.00 1.17 H new ATOM 0 HG3 LYS A 28 -2.464 -11.892 -14.582 1.00 1.17 H new ATOM 0 HD2 LYS A 28 -2.942 -12.232 -12.179 1.00 2.12 H new ATOM 0 HD3 LYS A 28 -3.768 -10.689 -12.096 1.00 2.12 H new ATOM 0 HE2 LYS A 28 -5.453 -12.440 -12.305 1.00 2.23 H new ATOM 0 HE3 LYS A 28 -5.437 -11.520 -13.797 1.00 2.23 H new ATOM 0 HZ1 LYS A 28 -5.295 -14.155 -13.729 1.00 3.05 H new ATOM 0 HZ2 LYS A 28 -4.576 -13.234 -14.962 1.00 3.05 H new ATOM 0 HZ3 LYS A 28 -3.633 -13.810 -13.673 1.00 3.05 H new ATOM 432 N VAL A 29 1.583 -10.030 -12.612 1.00 0.86 N ATOM 433 CA VAL A 29 2.736 -9.159 -12.465 1.00 0.89 C ATOM 434 C VAL A 29 3.757 -9.823 -11.539 1.00 0.88 C ATOM 435 O VAL A 29 3.924 -9.408 -10.393 1.00 0.99 O ATOM 436 CB VAL A 29 2.290 -7.781 -11.972 1.00 1.00 C ATOM 437 CG1 VAL A 29 1.709 -6.949 -13.118 1.00 0.99 C ATOM 438 CG2 VAL A 29 1.288 -7.907 -10.822 1.00 1.22 C ATOM 0 H VAL A 29 1.247 -10.443 -11.742 1.00 0.86 H new ATOM 0 HA VAL A 29 3.223 -9.004 -13.428 1.00 0.89 H new ATOM 0 HB VAL A 29 3.170 -7.260 -11.594 1.00 1.00 H new ATOM 0 HG11 VAL A 29 1.400 -5.975 -12.740 1.00 0.99 H new ATOM 0 HG12 VAL A 29 2.466 -6.815 -13.891 1.00 0.99 H new ATOM 0 HG13 VAL A 29 0.847 -7.464 -13.541 1.00 0.99 H new ATOM 0 HG21 VAL A 29 0.988 -6.913 -10.491 1.00 1.22 H new ATOM 0 HG22 VAL A 29 0.411 -8.457 -11.163 1.00 1.22 H new ATOM 0 HG23 VAL A 29 1.751 -8.441 -9.993 1.00 1.22 H new ATOM 448 N PRO A 30 4.431 -10.870 -12.084 1.00 0.92 N ATOM 449 CA PRO A 30 5.429 -11.599 -11.320 1.00 1.07 C ATOM 450 C PRO A 30 6.721 -10.788 -11.190 1.00 1.38 C ATOM 451 O PRO A 30 7.773 -11.212 -11.666 1.00 2.82 O ATOM 452 CB PRO A 30 5.620 -12.908 -12.068 1.00 1.24 C ATOM 453 CG PRO A 30 5.075 -12.671 -13.467 1.00 1.24 C ATOM 454 CD PRO A 30 4.264 -11.386 -13.440 1.00 1.00 C ATOM 0 HA PRO A 30 5.118 -11.786 -10.292 1.00 1.07 H new ATOM 0 HB2 PRO A 30 6.673 -13.189 -12.101 1.00 1.24 H new ATOM 0 HB3 PRO A 30 5.088 -13.721 -11.574 1.00 1.24 H new ATOM 0 HG2 PRO A 30 5.890 -12.593 -14.186 1.00 1.24 H new ATOM 0 HG3 PRO A 30 4.452 -13.509 -13.781 1.00 1.24 H new ATOM 0 HD2 PRO A 30 4.626 -10.674 -14.182 1.00 1.00 H new ATOM 0 HD3 PRO A 30 3.214 -11.575 -13.665 1.00 1.00 H new ATOM 462 N LYS A 31 6.598 -9.638 -10.545 1.00 1.10 N ATOM 463 CA LYS A 31 7.758 -8.806 -10.272 1.00 1.22 C ATOM 464 C LYS A 31 7.373 -7.715 -9.270 1.00 1.10 C ATOM 465 O LYS A 31 8.019 -7.562 -8.236 1.00 1.28 O ATOM 466 CB LYS A 31 8.345 -8.263 -11.577 1.00 1.36 C ATOM 467 CG LYS A 31 9.861 -8.464 -11.620 1.00 2.38 C ATOM 468 CD LYS A 31 10.458 -7.857 -12.892 1.00 2.43 C ATOM 469 CE LYS A 31 11.897 -8.332 -13.102 1.00 3.63 C ATOM 470 NZ LYS A 31 12.752 -7.916 -11.968 1.00 5.08 N ATOM 0 H LYS A 31 5.713 -9.262 -10.203 1.00 1.10 H new ATOM 0 HA LYS A 31 8.551 -9.396 -9.813 1.00 1.22 H new ATOM 0 HB2 LYS A 31 7.883 -8.768 -12.426 1.00 1.36 H new ATOM 0 HB3 LYS A 31 8.112 -7.202 -11.671 1.00 1.36 H new ATOM 0 HG2 LYS A 31 10.318 -8.004 -10.744 1.00 2.38 H new ATOM 0 HG3 LYS A 31 10.092 -9.528 -11.577 1.00 2.38 H new ATOM 0 HD2 LYS A 31 9.850 -8.136 -13.753 1.00 2.43 H new ATOM 0 HD3 LYS A 31 10.436 -6.769 -12.825 1.00 2.43 H new ATOM 0 HE2 LYS A 31 11.917 -9.417 -13.201 1.00 3.63 H new ATOM 0 HE3 LYS A 31 12.290 -7.920 -14.031 1.00 3.63 H new ATOM 0 HZ1 LYS A 31 13.709 -8.304 -12.094 1.00 5.08 H new ATOM 0 HZ2 LYS A 31 12.801 -6.878 -11.933 1.00 5.08 H new ATOM 0 HZ3 LYS A 31 12.348 -8.273 -11.079 1.00 5.08 H new ATOM 484 N THR A 32 6.322 -6.985 -9.614 1.00 0.91 N ATOM 485 CA THR A 32 5.797 -5.964 -8.723 1.00 0.87 C ATOM 486 C THR A 32 5.362 -6.588 -7.396 1.00 0.79 C ATOM 487 O THR A 32 5.466 -5.956 -6.345 1.00 0.83 O ATOM 488 CB THR A 32 4.665 -5.237 -9.452 1.00 0.90 C ATOM 489 OG1 THR A 32 5.133 -5.123 -10.794 1.00 1.06 O ATOM 490 CG2 THR A 32 4.506 -3.788 -8.988 1.00 0.97 C ATOM 0 H THR A 32 5.820 -7.080 -10.497 1.00 0.91 H new ATOM 0 HA THR A 32 6.562 -5.231 -8.467 1.00 0.87 H new ATOM 0 HB THR A 32 3.729 -5.773 -9.295 1.00 0.90 H new ATOM 0 HG1 THR A 32 4.372 -5.159 -11.410 1.00 1.06 H new ATOM 0 HG21 THR A 32 3.690 -3.318 -9.536 1.00 0.97 H new ATOM 0 HG22 THR A 32 4.284 -3.770 -7.921 1.00 0.97 H new ATOM 0 HG23 THR A 32 5.431 -3.242 -9.176 1.00 0.97 H new ATOM 498 N ALA A 33 4.886 -7.821 -7.486 1.00 0.76 N ATOM 499 CA ALA A 33 4.481 -8.555 -6.299 1.00 0.76 C ATOM 500 C ALA A 33 5.703 -8.787 -5.407 1.00 0.85 C ATOM 501 O ALA A 33 5.600 -8.743 -4.182 1.00 0.89 O ATOM 502 CB ALA A 33 3.806 -9.864 -6.713 1.00 0.79 C ATOM 0 H ALA A 33 4.772 -8.330 -8.362 1.00 0.76 H new ATOM 0 HA ALA A 33 3.755 -7.982 -5.723 1.00 0.76 H new ATOM 0 HB1 ALA A 33 3.502 -10.414 -5.822 1.00 0.79 H new ATOM 0 HB2 ALA A 33 2.928 -9.644 -7.321 1.00 0.79 H new ATOM 0 HB3 ALA A 33 4.506 -10.467 -7.291 1.00 0.79 H new ATOM 508 N GLU A 34 6.832 -9.030 -6.056 1.00 0.94 N ATOM 509 CA GLU A 34 8.047 -9.376 -5.340 1.00 1.07 C ATOM 510 C GLU A 34 8.410 -8.272 -4.345 1.00 1.13 C ATOM 511 O GLU A 34 8.711 -8.552 -3.185 1.00 1.19 O ATOM 512 CB GLU A 34 9.200 -9.639 -6.311 1.00 1.26 C ATOM 513 CG GLU A 34 10.424 -10.187 -5.574 1.00 1.47 C ATOM 514 CD GLU A 34 11.573 -10.460 -6.547 1.00 2.10 C ATOM 515 OE1 GLU A 34 12.339 -9.507 -6.803 1.00 3.46 O ATOM 516 OE2 GLU A 34 11.660 -11.618 -7.011 1.00 2.44 O ATOM 0 H GLU A 34 6.931 -8.994 -7.071 1.00 0.94 H new ATOM 0 HA GLU A 34 7.867 -10.296 -4.783 1.00 1.07 H new ATOM 0 HB2 GLU A 34 8.882 -10.350 -7.074 1.00 1.26 H new ATOM 0 HB3 GLU A 34 9.464 -8.715 -6.826 1.00 1.26 H new ATOM 0 HG2 GLU A 34 10.746 -9.473 -4.816 1.00 1.47 H new ATOM 0 HG3 GLU A 34 10.158 -11.107 -5.053 1.00 1.47 H new ATOM 523 N ASN A 35 8.369 -7.042 -4.834 1.00 1.18 N ATOM 524 CA ASN A 35 8.823 -5.908 -4.045 1.00 1.28 C ATOM 525 C ASN A 35 8.011 -5.837 -2.750 1.00 1.34 C ATOM 526 O ASN A 35 8.577 -5.846 -1.659 1.00 1.95 O ATOM 527 CB ASN A 35 8.620 -4.595 -4.804 1.00 1.41 C ATOM 528 CG ASN A 35 9.375 -4.608 -6.135 1.00 1.70 C ATOM 529 OD1 ASN A 35 8.728 -4.006 -7.130 1.00 2.83 O flip ATOM 530 ND2 ASN A 35 10.471 -5.130 -6.252 1.00 2.38 N flip ATOM 0 H ASN A 35 8.029 -6.805 -5.766 1.00 1.18 H new ATOM 0 HA ASN A 35 9.884 -6.044 -3.836 1.00 1.28 H new ATOM 0 HB2 ASN A 35 7.557 -4.437 -4.986 1.00 1.41 H new ATOM 0 HB3 ASN A 35 8.966 -3.761 -4.194 1.00 1.41 H new ATOM 0 HD21 ASN A 35 10.912 -5.575 -5.447 1.00 2.38 H new ATOM 0 HD22 ASN A 35 10.946 -5.121 -7.154 1.00 2.38 H new ATOM 537 N PHE A 36 6.699 -5.765 -2.915 1.00 1.14 N ATOM 538 CA PHE A 36 5.804 -5.683 -1.773 1.00 1.16 C ATOM 539 C PHE A 36 5.917 -6.933 -0.898 1.00 1.09 C ATOM 540 O PHE A 36 5.856 -6.845 0.328 1.00 1.19 O ATOM 541 CB PHE A 36 4.380 -5.588 -2.325 1.00 1.24 C ATOM 542 CG PHE A 36 3.313 -5.355 -1.255 1.00 1.74 C ATOM 543 CD1 PHE A 36 2.881 -6.394 -0.488 1.00 2.77 C ATOM 544 CD2 PHE A 36 2.795 -4.112 -1.069 1.00 2.76 C ATOM 545 CE1 PHE A 36 1.889 -6.178 0.505 1.00 3.58 C ATOM 546 CE2 PHE A 36 1.803 -3.897 -0.076 1.00 3.32 C ATOM 547 CZ PHE A 36 1.371 -4.935 0.690 1.00 3.37 C ATOM 0 H PHE A 36 6.234 -5.762 -3.823 1.00 1.14 H new ATOM 0 HA PHE A 36 6.061 -4.819 -1.161 1.00 1.16 H new ATOM 0 HB2 PHE A 36 4.336 -4.776 -3.051 1.00 1.24 H new ATOM 0 HB3 PHE A 36 4.147 -6.508 -2.862 1.00 1.24 H new ATOM 0 HD1 PHE A 36 3.293 -7.382 -0.635 1.00 2.77 H new ATOM 0 HD2 PHE A 36 3.138 -3.288 -1.677 1.00 2.76 H new ATOM 0 HE1 PHE A 36 1.546 -7.002 1.113 1.00 3.58 H new ATOM 0 HE2 PHE A 36 1.391 -2.909 0.071 1.00 3.32 H new ATOM 0 HZ PHE A 36 0.616 -4.771 1.445 1.00 3.37 H new ATOM 557 N ARG A 37 6.078 -8.068 -1.562 1.00 1.01 N ATOM 558 CA ARG A 37 6.211 -9.334 -0.859 1.00 1.04 C ATOM 559 C ARG A 37 7.552 -9.395 -0.126 1.00 1.00 C ATOM 560 O ARG A 37 7.700 -10.137 0.844 1.00 0.95 O ATOM 561 CB ARG A 37 6.113 -10.514 -1.827 1.00 1.12 C ATOM 562 CG ARG A 37 6.132 -11.845 -1.073 1.00 1.55 C ATOM 563 CD ARG A 37 7.484 -12.544 -1.230 1.00 1.81 C ATOM 564 NE ARG A 37 7.673 -12.970 -2.635 1.00 2.43 N ATOM 565 CZ ARG A 37 7.129 -14.074 -3.166 1.00 2.84 C ATOM 566 NH1 ARG A 37 6.315 -14.841 -2.428 1.00 3.01 N ATOM 567 NH2 ARG A 37 7.401 -14.411 -4.434 1.00 3.99 N ATOM 0 H ARG A 37 6.119 -8.138 -2.579 1.00 1.01 H new ATOM 0 HA ARG A 37 5.396 -9.401 -0.139 1.00 1.04 H new ATOM 0 HB2 ARG A 37 5.195 -10.435 -2.410 1.00 1.12 H new ATOM 0 HB3 ARG A 37 6.943 -10.480 -2.533 1.00 1.12 H new ATOM 0 HG2 ARG A 37 5.929 -11.672 -0.016 1.00 1.55 H new ATOM 0 HG3 ARG A 37 5.339 -12.491 -1.448 1.00 1.55 H new ATOM 0 HD2 ARG A 37 8.288 -11.870 -0.934 1.00 1.81 H new ATOM 0 HD3 ARG A 37 7.534 -13.409 -0.569 1.00 1.81 H new ATOM 0 HE ARG A 37 8.254 -12.387 -3.237 1.00 2.43 H new ATOM 0 HH11 ARG A 37 6.109 -14.585 -1.462 1.00 3.01 H new ATOM 0 HH12 ARG A 37 5.901 -15.681 -2.832 1.00 3.01 H new ATOM 0 HH21 ARG A 37 8.022 -13.828 -4.995 1.00 3.99 H new ATOM 0 HH22 ARG A 37 6.987 -15.251 -4.838 1.00 3.99 H new ATOM 581 N ALA A 38 8.496 -8.605 -0.617 1.00 1.16 N ATOM 582 CA ALA A 38 9.813 -8.543 -0.005 1.00 1.24 C ATOM 583 C ALA A 38 9.751 -7.656 1.240 1.00 1.28 C ATOM 584 O ALA A 38 10.344 -7.980 2.267 1.00 1.39 O ATOM 585 CB ALA A 38 10.829 -8.037 -1.031 1.00 1.28 C ATOM 0 H ALA A 38 8.375 -8.003 -1.431 1.00 1.16 H new ATOM 0 HA ALA A 38 10.136 -9.535 0.312 1.00 1.24 H new ATOM 0 HB1 ALA A 38 11.817 -7.990 -0.572 1.00 1.28 H new ATOM 0 HB2 ALA A 38 10.856 -8.717 -1.882 1.00 1.28 H new ATOM 0 HB3 ALA A 38 10.539 -7.042 -1.370 1.00 1.28 H new ATOM 591 N LEU A 39 9.027 -6.554 1.107 1.00 1.26 N ATOM 592 CA LEU A 39 8.870 -5.624 2.213 1.00 1.37 C ATOM 593 C LEU A 39 7.827 -6.171 3.190 1.00 1.52 C ATOM 594 O LEU A 39 7.505 -5.526 4.186 1.00 2.09 O ATOM 595 CB LEU A 39 8.548 -4.222 1.691 1.00 1.33 C ATOM 596 CG LEU A 39 9.522 -3.650 0.659 1.00 1.19 C ATOM 597 CD1 LEU A 39 9.132 -2.224 0.269 1.00 1.44 C ATOM 598 CD2 LEU A 39 10.965 -3.734 1.162 1.00 1.25 C ATOM 0 H LEU A 39 8.543 -6.284 0.251 1.00 1.26 H new ATOM 0 HA LEU A 39 9.805 -5.527 2.766 1.00 1.37 H new ATOM 0 HB2 LEU A 39 7.552 -4.240 1.250 1.00 1.33 H new ATOM 0 HB3 LEU A 39 8.508 -3.540 2.540 1.00 1.33 H new ATOM 0 HG LEU A 39 9.460 -4.258 -0.244 1.00 1.19 H new ATOM 0 HD11 LEU A 39 9.840 -1.841 -0.466 1.00 1.44 H new ATOM 0 HD12 LEU A 39 8.130 -2.225 -0.160 1.00 1.44 H new ATOM 0 HD13 LEU A 39 9.147 -1.588 1.154 1.00 1.44 H new ATOM 0 HD21 LEU A 39 11.637 -3.321 0.410 1.00 1.25 H new ATOM 0 HD22 LEU A 39 11.062 -3.165 2.087 1.00 1.25 H new ATOM 0 HD23 LEU A 39 11.225 -4.776 1.348 1.00 1.25 H new ATOM 610 N SER A 40 7.326 -7.356 2.870 1.00 1.18 N ATOM 611 CA SER A 40 6.587 -8.143 3.841 1.00 1.25 C ATOM 612 C SER A 40 7.464 -9.277 4.373 1.00 1.33 C ATOM 613 O SER A 40 7.449 -9.570 5.568 1.00 1.62 O ATOM 614 CB SER A 40 5.303 -8.707 3.230 1.00 1.37 C ATOM 615 OG SER A 40 4.489 -7.685 2.659 1.00 2.42 O ATOM 0 H SER A 40 7.418 -7.789 1.951 1.00 1.18 H new ATOM 0 HA SER A 40 6.308 -7.490 4.668 1.00 1.25 H new ATOM 0 HB2 SER A 40 5.557 -9.439 2.463 1.00 1.37 H new ATOM 0 HB3 SER A 40 4.737 -9.234 3.998 1.00 1.37 H new ATOM 0 HG SER A 40 4.920 -7.337 1.851 1.00 2.42 H new ATOM 621 N THR A 41 8.207 -9.886 3.461 1.00 1.35 N ATOM 622 CA THR A 41 9.166 -10.910 3.838 1.00 1.60 C ATOM 623 C THR A 41 10.446 -10.773 3.011 1.00 2.25 C ATOM 624 O THR A 41 10.554 -11.347 1.929 1.00 3.79 O ATOM 625 CB THR A 41 8.487 -12.273 3.685 1.00 2.01 C ATOM 626 OG1 THR A 41 7.729 -12.419 4.882 1.00 3.37 O ATOM 627 CG2 THR A 41 9.485 -13.433 3.733 1.00 2.52 C ATOM 0 H THR A 41 8.164 -9.690 2.461 1.00 1.35 H new ATOM 0 HA THR A 41 9.475 -10.799 4.877 1.00 1.60 H new ATOM 0 HB THR A 41 7.941 -12.303 2.742 1.00 2.01 H new ATOM 0 HG1 THR A 41 7.663 -11.553 5.335 1.00 3.37 H new ATOM 0 HG21 THR A 41 8.952 -14.377 3.620 1.00 2.52 H new ATOM 0 HG22 THR A 41 10.207 -13.325 2.924 1.00 2.52 H new ATOM 0 HG23 THR A 41 10.008 -13.424 4.689 1.00 2.52 H new ATOM 635 N GLY A 42 11.383 -10.008 3.552 1.00 1.72 N ATOM 636 CA GLY A 42 12.604 -9.696 2.829 1.00 2.39 C ATOM 637 C GLY A 42 13.118 -10.919 2.067 1.00 3.36 C ATOM 638 O GLY A 42 12.833 -11.082 0.883 1.00 4.91 O ATOM 0 H GLY A 42 11.321 -9.595 4.483 1.00 1.72 H new ATOM 0 HA2 GLY A 42 12.419 -8.880 2.131 1.00 2.39 H new ATOM 0 HA3 GLY A 42 13.367 -9.351 3.528 1.00 2.39 H new ATOM 642 N GLU A 43 13.869 -11.747 2.780 1.00 3.08 N ATOM 643 CA GLU A 43 14.660 -12.782 2.136 1.00 4.08 C ATOM 644 C GLU A 43 15.786 -12.154 1.314 1.00 4.02 C ATOM 645 O GLU A 43 16.956 -12.479 1.506 1.00 4.53 O ATOM 646 CB GLU A 43 13.781 -13.681 1.265 1.00 4.85 C ATOM 647 CG GLU A 43 14.436 -15.048 1.053 1.00 5.76 C ATOM 648 CD GLU A 43 13.552 -15.952 0.192 1.00 7.09 C ATOM 649 OE1 GLU A 43 12.669 -16.612 0.783 1.00 7.72 O ATOM 650 OE2 GLU A 43 13.777 -15.963 -1.037 1.00 7.99 O ATOM 0 H GLU A 43 13.946 -11.722 3.797 1.00 3.08 H new ATOM 0 HA GLU A 43 15.106 -13.406 2.910 1.00 4.08 H new ATOM 0 HB2 GLU A 43 12.807 -13.810 1.736 1.00 4.85 H new ATOM 0 HB3 GLU A 43 13.608 -13.203 0.301 1.00 4.85 H new ATOM 0 HG2 GLU A 43 15.407 -14.920 0.574 1.00 5.76 H new ATOM 0 HG3 GLU A 43 14.617 -15.522 2.018 1.00 5.76 H new ATOM 657 N LYS A 44 15.394 -11.263 0.414 1.00 3.90 N ATOM 658 CA LYS A 44 16.360 -10.548 -0.403 1.00 3.84 C ATOM 659 C LYS A 44 17.447 -9.960 0.499 1.00 3.96 C ATOM 660 O LYS A 44 18.616 -9.911 0.118 1.00 4.56 O ATOM 661 CB LYS A 44 15.658 -9.508 -1.277 1.00 3.47 C ATOM 662 CG LYS A 44 14.712 -10.178 -2.275 1.00 4.35 C ATOM 663 CD LYS A 44 15.302 -10.158 -3.687 1.00 4.26 C ATOM 664 CE LYS A 44 15.209 -8.759 -4.299 1.00 3.37 C ATOM 665 NZ LYS A 44 13.979 -8.629 -5.111 1.00 4.31 N ATOM 0 H LYS A 44 14.420 -11.020 0.233 1.00 3.90 H new ATOM 0 HA LYS A 44 16.853 -11.231 -1.095 1.00 3.84 H new ATOM 0 HB2 LYS A 44 15.098 -8.817 -0.647 1.00 3.47 H new ATOM 0 HB3 LYS A 44 16.401 -8.918 -1.814 1.00 3.47 H new ATOM 0 HG2 LYS A 44 14.525 -11.207 -1.970 1.00 4.35 H new ATOM 0 HG3 LYS A 44 13.750 -9.665 -2.271 1.00 4.35 H new ATOM 0 HD2 LYS A 44 16.344 -10.476 -3.654 1.00 4.26 H new ATOM 0 HD3 LYS A 44 14.771 -10.871 -4.317 1.00 4.26 H new ATOM 0 HE2 LYS A 44 15.211 -8.009 -3.508 1.00 3.37 H new ATOM 0 HE3 LYS A 44 16.084 -8.569 -4.921 1.00 3.37 H new ATOM 0 HZ1 LYS A 44 14.021 -7.750 -5.666 1.00 4.31 H new ATOM 0 HZ2 LYS A 44 13.901 -9.442 -5.755 1.00 4.31 H new ATOM 0 HZ3 LYS A 44 13.150 -8.603 -4.484 1.00 4.31 H new ATOM 679 N GLY A 45 17.025 -9.531 1.679 1.00 3.76 N ATOM 680 CA GLY A 45 17.939 -8.907 2.620 1.00 4.47 C ATOM 681 C GLY A 45 17.178 -8.272 3.785 1.00 4.47 C ATOM 682 O GLY A 45 17.541 -8.462 4.945 1.00 5.66 O ATOM 0 H GLY A 45 16.061 -9.603 2.005 1.00 3.76 H new ATOM 0 HA2 GLY A 45 18.639 -9.651 3.001 1.00 4.47 H new ATOM 0 HA3 GLY A 45 18.529 -8.146 2.109 1.00 4.47 H new ATOM 686 N PHE A 46 16.138 -7.530 3.436 1.00 3.38 N ATOM 687 CA PHE A 46 15.410 -6.750 4.422 1.00 3.33 C ATOM 688 C PHE A 46 13.975 -6.486 3.964 1.00 2.76 C ATOM 689 O PHE A 46 13.537 -7.019 2.945 1.00 2.53 O ATOM 690 CB PHE A 46 16.141 -5.413 4.563 1.00 3.51 C ATOM 691 CG PHE A 46 16.045 -4.518 3.326 1.00 2.95 C ATOM 692 CD1 PHE A 46 16.856 -4.745 2.258 1.00 3.58 C ATOM 693 CD2 PHE A 46 15.149 -3.496 3.294 1.00 2.65 C ATOM 694 CE1 PHE A 46 16.768 -3.914 1.109 1.00 3.28 C ATOM 695 CE2 PHE A 46 15.060 -2.665 2.146 1.00 2.62 C ATOM 696 CZ PHE A 46 15.871 -2.891 1.077 1.00 2.55 C ATOM 0 H PHE A 46 15.782 -7.452 2.483 1.00 3.38 H new ATOM 0 HA PHE A 46 15.367 -7.293 5.366 1.00 3.33 H new ATOM 0 HB2 PHE A 46 15.733 -4.876 5.420 1.00 3.51 H new ATOM 0 HB3 PHE A 46 17.192 -5.606 4.778 1.00 3.51 H new ATOM 0 HD1 PHE A 46 17.567 -5.557 2.283 1.00 3.58 H new ATOM 0 HD2 PHE A 46 14.505 -3.316 4.142 1.00 2.65 H new ATOM 0 HE1 PHE A 46 17.413 -4.094 0.261 1.00 3.28 H new ATOM 0 HE2 PHE A 46 14.348 -1.853 2.121 1.00 2.62 H new ATOM 0 HZ PHE A 46 15.803 -2.259 0.204 1.00 2.55 H new ATOM 706 N GLY A 47 13.281 -5.664 4.738 1.00 2.70 N ATOM 707 CA GLY A 47 11.947 -5.228 4.360 1.00 2.28 C ATOM 708 C GLY A 47 10.879 -5.994 5.143 1.00 3.25 C ATOM 709 O GLY A 47 10.667 -7.183 4.911 1.00 4.96 O ATOM 0 H GLY A 47 13.617 -5.289 5.625 1.00 2.70 H new ATOM 0 HA2 GLY A 47 11.843 -4.159 4.546 1.00 2.28 H new ATOM 0 HA3 GLY A 47 11.799 -5.381 3.291 1.00 2.28 H new ATOM 713 N TYR A 48 10.234 -5.281 6.056 1.00 2.79 N ATOM 714 CA TYR A 48 9.104 -5.838 6.779 1.00 3.72 C ATOM 715 C TYR A 48 8.236 -4.728 7.377 1.00 2.40 C ATOM 716 O TYR A 48 7.104 -4.520 6.946 1.00 2.93 O ATOM 717 CB TYR A 48 9.699 -6.671 7.916 1.00 5.14 C ATOM 718 CG TYR A 48 10.994 -7.396 7.543 1.00 7.08 C ATOM 719 CD1 TYR A 48 12.206 -6.745 7.652 1.00 8.11 C ATOM 720 CD2 TYR A 48 10.950 -8.702 7.097 1.00 8.28 C ATOM 721 CE1 TYR A 48 13.424 -7.427 7.301 1.00 10.10 C ATOM 722 CE2 TYR A 48 12.168 -9.384 6.746 1.00 10.19 C ATOM 723 CZ TYR A 48 13.345 -8.713 6.865 1.00 10.90 C ATOM 724 OH TYR A 48 14.496 -9.358 6.534 1.00 12.82 O ATOM 0 H TYR A 48 10.473 -4.323 6.311 1.00 2.79 H new ATOM 0 HA TYR A 48 8.476 -6.429 6.113 1.00 3.72 H new ATOM 0 HB2 TYR A 48 9.892 -6.019 8.768 1.00 5.14 H new ATOM 0 HB3 TYR A 48 8.962 -7.407 8.238 1.00 5.14 H new ATOM 0 HD1 TYR A 48 12.241 -5.723 8.001 1.00 8.11 H new ATOM 0 HD2 TYR A 48 10.002 -9.212 7.012 1.00 8.28 H new ATOM 0 HE1 TYR A 48 14.379 -6.929 7.382 1.00 10.10 H new ATOM 0 HE2 TYR A 48 12.148 -10.406 6.396 1.00 10.19 H new ATOM 0 HH TYR A 48 14.287 -10.270 6.241 1.00 12.82 H new ATOM 734 N LYS A 49 8.801 -4.046 8.362 1.00 1.69 N ATOM 735 CA LYS A 49 7.996 -3.281 9.300 1.00 1.63 C ATOM 736 C LYS A 49 8.598 -1.883 9.460 1.00 1.77 C ATOM 737 O LYS A 49 9.758 -1.742 9.844 1.00 1.82 O ATOM 738 CB LYS A 49 7.845 -4.040 10.620 1.00 2.47 C ATOM 739 CG LYS A 49 9.210 -4.459 11.171 1.00 1.60 C ATOM 740 CD LYS A 49 9.169 -4.589 12.695 1.00 1.88 C ATOM 741 CE LYS A 49 8.169 -5.664 13.126 1.00 2.24 C ATOM 742 NZ LYS A 49 8.616 -7.000 12.672 1.00 2.75 N ATOM 0 H LYS A 49 9.806 -4.007 8.531 1.00 1.69 H new ATOM 0 HA LYS A 49 6.984 -3.151 8.916 1.00 1.63 H new ATOM 0 HB2 LYS A 49 7.332 -3.412 11.348 1.00 2.47 H new ATOM 0 HB3 LYS A 49 7.224 -4.923 10.467 1.00 2.47 H new ATOM 0 HG2 LYS A 49 9.508 -5.410 10.729 1.00 1.60 H new ATOM 0 HG3 LYS A 49 9.963 -3.724 10.885 1.00 1.60 H new ATOM 0 HD2 LYS A 49 10.162 -4.839 13.069 1.00 1.88 H new ATOM 0 HD3 LYS A 49 8.893 -3.632 13.138 1.00 1.88 H new ATOM 0 HE2 LYS A 49 8.065 -5.658 14.211 1.00 2.24 H new ATOM 0 HE3 LYS A 49 7.186 -5.442 12.710 1.00 2.24 H new ATOM 0 HZ1 LYS A 49 8.023 -7.733 13.112 1.00 2.75 H new ATOM 0 HZ2 LYS A 49 8.531 -7.062 11.637 1.00 2.75 H new ATOM 0 HZ3 LYS A 49 9.608 -7.146 12.947 1.00 2.75 H new ATOM 756 N GLY A 50 7.782 -0.884 9.157 1.00 2.10 N ATOM 757 CA GLY A 50 8.217 0.498 9.267 1.00 2.48 C ATOM 758 C GLY A 50 7.456 1.393 8.287 1.00 2.82 C ATOM 759 O GLY A 50 7.304 2.590 8.524 1.00 3.14 O ATOM 0 H GLY A 50 6.822 -1.004 8.835 1.00 2.10 H new ATOM 0 HA2 GLY A 50 8.060 0.852 10.286 1.00 2.48 H new ATOM 0 HA3 GLY A 50 9.287 0.563 9.069 1.00 2.48 H new ATOM 763 N SER A 51 6.998 0.777 7.207 1.00 3.45 N ATOM 764 CA SER A 51 6.255 1.502 6.190 1.00 4.37 C ATOM 765 C SER A 51 5.057 2.211 6.824 1.00 3.69 C ATOM 766 O SER A 51 3.997 1.612 6.999 1.00 4.30 O ATOM 767 CB SER A 51 5.787 0.563 5.076 1.00 5.79 C ATOM 768 OG SER A 51 5.528 -0.752 5.559 1.00 6.29 O ATOM 0 H SER A 51 7.127 -0.216 7.014 1.00 3.45 H new ATOM 0 HA SER A 51 6.917 2.246 5.747 1.00 4.37 H new ATOM 0 HB2 SER A 51 4.883 0.966 4.619 1.00 5.79 H new ATOM 0 HB3 SER A 51 6.547 0.519 4.296 1.00 5.79 H new ATOM 0 HG SER A 51 5.230 -1.320 4.818 1.00 6.29 H new ATOM 774 N CYS A 52 5.266 3.478 7.154 1.00 3.07 N ATOM 775 CA CYS A 52 4.202 4.291 7.716 1.00 2.67 C ATOM 776 C CYS A 52 3.400 4.897 6.562 1.00 2.71 C ATOM 777 O CYS A 52 3.576 4.508 5.408 1.00 3.59 O ATOM 778 CB CYS A 52 4.748 5.366 8.656 1.00 3.04 C ATOM 779 SG CYS A 52 5.428 6.762 7.687 1.00 4.61 S ATOM 0 H CYS A 52 6.158 3.961 7.042 1.00 3.07 H new ATOM 0 HA CYS A 52 3.548 3.667 8.325 1.00 2.67 H new ATOM 0 HB2 CYS A 52 3.955 5.722 9.314 1.00 3.04 H new ATOM 0 HB3 CYS A 52 5.525 4.943 9.293 1.00 3.04 H new ATOM 0 HG CYS A 52 5.887 7.670 8.497 1.00 4.61 H new ATOM 785 N PHE A 53 2.536 5.838 6.914 1.00 2.28 N ATOM 786 CA PHE A 53 1.660 6.453 5.932 1.00 2.43 C ATOM 787 C PHE A 53 1.752 7.979 5.994 1.00 1.93 C ATOM 788 O PHE A 53 1.761 8.561 7.077 1.00 2.16 O ATOM 789 CB PHE A 53 0.231 6.027 6.279 1.00 3.11 C ATOM 790 CG PHE A 53 0.057 4.516 6.445 1.00 4.06 C ATOM 791 CD1 PHE A 53 0.427 3.913 7.606 1.00 4.22 C ATOM 792 CD2 PHE A 53 -0.470 3.776 5.432 1.00 5.69 C ATOM 793 CE1 PHE A 53 0.265 2.510 7.761 1.00 5.85 C ATOM 794 CE2 PHE A 53 -0.632 2.374 5.586 1.00 7.03 C ATOM 795 CZ PHE A 53 -0.261 1.771 6.748 1.00 7.01 C ATOM 0 H PHE A 53 2.424 6.189 7.865 1.00 2.28 H new ATOM 0 HA PHE A 53 1.947 6.138 4.929 1.00 2.43 H new ATOM 0 HB2 PHE A 53 -0.071 6.521 7.203 1.00 3.11 H new ATOM 0 HB3 PHE A 53 -0.442 6.376 5.496 1.00 3.11 H new ATOM 0 HD1 PHE A 53 0.844 4.501 8.411 1.00 4.22 H new ATOM 0 HD2 PHE A 53 -0.765 4.255 4.510 1.00 5.69 H new ATOM 0 HE1 PHE A 53 0.559 2.031 8.683 1.00 5.85 H new ATOM 0 HE2 PHE A 53 -1.049 1.787 4.782 1.00 7.03 H new ATOM 0 HZ PHE A 53 -0.384 0.705 6.866 1.00 7.01 H new ATOM 805 N HIS A 54 1.821 8.584 4.817 1.00 2.16 N ATOM 806 CA HIS A 54 1.964 10.028 4.724 1.00 2.20 C ATOM 807 C HIS A 54 0.629 10.698 5.056 1.00 1.86 C ATOM 808 O HIS A 54 0.597 11.724 5.732 1.00 2.24 O ATOM 809 CB HIS A 54 2.507 10.433 3.353 1.00 3.22 C ATOM 810 CG HIS A 54 3.339 9.365 2.682 1.00 2.51 C ATOM 811 ND1 HIS A 54 3.322 9.151 1.315 1.00 2.76 N ATOM 812 CD2 HIS A 54 4.212 8.457 3.203 1.00 2.60 C ATOM 813 CE1 HIS A 54 4.150 8.154 1.037 1.00 2.38 C ATOM 814 NE2 HIS A 54 4.700 7.725 2.209 1.00 2.75 N ATOM 0 H HIS A 54 1.781 8.101 3.920 1.00 2.16 H new ATOM 0 HA HIS A 54 2.695 10.373 5.455 1.00 2.20 H new ATOM 0 HB2 HIS A 54 1.670 10.689 2.703 1.00 3.22 H new ATOM 0 HB3 HIS A 54 3.111 11.333 3.464 1.00 3.22 H new ATOM 0 HD2 HIS A 54 4.464 8.351 4.248 1.00 2.60 H new ATOM 0 HE1 HIS A 54 4.353 7.752 0.055 1.00 2.38 H new ATOM 0 HE2 HIS A 54 5.375 6.967 2.306 1.00 2.75 H new ATOM 822 N ARG A 55 -0.440 10.090 4.562 1.00 1.53 N ATOM 823 CA ARG A 55 -1.767 10.656 4.734 1.00 1.37 C ATOM 824 C ARG A 55 -2.828 9.557 4.633 1.00 1.13 C ATOM 825 O ARG A 55 -2.654 8.587 3.898 1.00 1.26 O ATOM 826 CB ARG A 55 -2.051 11.728 3.681 1.00 1.86 C ATOM 827 CG ARG A 55 -2.212 11.104 2.292 1.00 1.43 C ATOM 828 CD ARG A 55 -1.933 12.132 1.194 1.00 1.56 C ATOM 829 NE ARG A 55 -2.841 11.905 0.046 1.00 2.44 N ATOM 830 CZ ARG A 55 -4.009 12.537 -0.123 1.00 3.82 C ATOM 831 NH1 ARG A 55 -4.504 13.305 0.858 1.00 4.30 N ATOM 832 NH2 ARG A 55 -4.683 12.404 -1.274 1.00 5.34 N ATOM 0 H ARG A 55 -0.414 9.212 4.043 1.00 1.53 H new ATOM 0 HA ARG A 55 -1.806 11.116 5.722 1.00 1.37 H new ATOM 0 HB2 ARG A 55 -2.957 12.272 3.946 1.00 1.86 H new ATOM 0 HB3 ARG A 55 -1.237 12.453 3.666 1.00 1.86 H new ATOM 0 HG2 ARG A 55 -1.530 10.260 2.187 1.00 1.43 H new ATOM 0 HG3 ARG A 55 -3.223 10.712 2.180 1.00 1.43 H new ATOM 0 HD2 ARG A 55 -2.072 13.140 1.584 1.00 1.56 H new ATOM 0 HD3 ARG A 55 -0.896 12.056 0.868 1.00 1.56 H new ATOM 0 HE ARG A 55 -2.559 11.225 -0.660 1.00 2.44 H new ATOM 0 HH11 ARG A 55 -3.991 13.408 1.733 1.00 4.30 H new ATOM 0 HH12 ARG A 55 -5.394 13.786 0.729 1.00 4.30 H new ATOM 0 HH21 ARG A 55 -4.306 11.821 -2.021 1.00 5.34 H new ATOM 0 HH22 ARG A 55 -5.573 12.886 -1.402 1.00 5.34 H new ATOM 846 N ILE A 56 -3.905 9.748 5.383 1.00 1.02 N ATOM 847 CA ILE A 56 -4.980 8.771 5.409 1.00 0.86 C ATOM 848 C ILE A 56 -6.324 9.499 5.353 1.00 0.67 C ATOM 849 O ILE A 56 -6.568 10.423 6.126 1.00 0.75 O ATOM 850 CB ILE A 56 -4.832 7.845 6.618 1.00 0.91 C ATOM 851 CG1 ILE A 56 -3.513 7.071 6.558 1.00 1.21 C ATOM 852 CG2 ILE A 56 -6.039 6.912 6.744 1.00 0.99 C ATOM 853 CD1 ILE A 56 -3.404 6.084 7.721 1.00 1.31 C ATOM 0 H ILE A 56 -4.055 10.564 5.976 1.00 1.02 H new ATOM 0 HA ILE A 56 -4.930 8.124 4.533 1.00 0.86 H new ATOM 0 HB ILE A 56 -4.804 8.459 7.518 1.00 0.91 H new ATOM 0 HG12 ILE A 56 -3.445 6.533 5.612 1.00 1.21 H new ATOM 0 HG13 ILE A 56 -2.676 7.769 6.589 1.00 1.21 H new ATOM 0 HG21 ILE A 56 -5.909 6.264 7.611 1.00 0.99 H new ATOM 0 HG22 ILE A 56 -6.946 7.505 6.866 1.00 0.99 H new ATOM 0 HG23 ILE A 56 -6.123 6.302 5.845 1.00 0.99 H new ATOM 0 HD11 ILE A 56 -2.458 5.547 7.655 1.00 1.31 H new ATOM 0 HD12 ILE A 56 -3.448 6.628 8.665 1.00 1.31 H new ATOM 0 HD13 ILE A 56 -4.229 5.373 7.673 1.00 1.31 H new ATOM 865 N ILE A 57 -7.164 9.053 4.428 1.00 0.61 N ATOM 866 CA ILE A 57 -8.495 9.619 4.292 1.00 0.59 C ATOM 867 C ILE A 57 -9.531 8.495 4.353 1.00 0.63 C ATOM 868 O ILE A 57 -9.421 7.504 3.632 1.00 0.64 O ATOM 869 CB ILE A 57 -8.588 10.471 3.024 1.00 0.69 C ATOM 870 CG1 ILE A 57 -7.763 11.753 3.164 1.00 0.96 C ATOM 871 CG2 ILE A 57 -10.046 10.764 2.665 1.00 0.82 C ATOM 872 CD1 ILE A 57 -7.688 12.505 1.833 1.00 1.19 C ATOM 0 H ILE A 57 -6.948 8.307 3.767 1.00 0.61 H new ATOM 0 HA ILE A 57 -8.707 10.295 5.120 1.00 0.59 H new ATOM 0 HB ILE A 57 -8.162 9.902 2.198 1.00 0.69 H new ATOM 0 HG12 ILE A 57 -8.208 12.395 3.924 1.00 0.96 H new ATOM 0 HG13 ILE A 57 -6.757 11.507 3.504 1.00 0.96 H new ATOM 0 HG21 ILE A 57 -10.083 11.371 1.760 1.00 0.82 H new ATOM 0 HG22 ILE A 57 -10.574 9.826 2.495 1.00 0.82 H new ATOM 0 HG23 ILE A 57 -10.521 11.304 3.484 1.00 0.82 H new ATOM 0 HD11 ILE A 57 -7.096 13.412 1.960 1.00 1.19 H new ATOM 0 HD12 ILE A 57 -7.220 11.869 1.082 1.00 1.19 H new ATOM 0 HD13 ILE A 57 -8.694 12.771 1.508 1.00 1.19 H new ATOM 884 N PRO A 58 -10.540 8.691 5.245 1.00 0.78 N ATOM 885 CA PRO A 58 -11.614 7.723 5.383 1.00 0.94 C ATOM 886 C PRO A 58 -12.589 7.813 4.207 1.00 0.90 C ATOM 887 O PRO A 58 -13.009 8.906 3.827 1.00 0.95 O ATOM 888 CB PRO A 58 -12.264 8.044 6.719 1.00 1.18 C ATOM 889 CG PRO A 58 -11.833 9.462 7.061 1.00 1.16 C ATOM 890 CD PRO A 58 -10.683 9.835 6.140 1.00 0.91 C ATOM 0 HA PRO A 58 -11.256 6.693 5.366 1.00 0.94 H new ATOM 0 HB2 PRO A 58 -13.350 7.971 6.653 1.00 1.18 H new ATOM 0 HB3 PRO A 58 -11.943 7.342 7.488 1.00 1.18 H new ATOM 0 HG2 PRO A 58 -12.665 10.155 6.933 1.00 1.16 H new ATOM 0 HG3 PRO A 58 -11.523 9.526 8.104 1.00 1.16 H new ATOM 0 HD2 PRO A 58 -10.900 10.748 5.585 1.00 0.91 H new ATOM 0 HD3 PRO A 58 -9.767 10.015 6.703 1.00 0.91 H new ATOM 898 N GLY A 59 -12.921 6.652 3.664 1.00 0.90 N ATOM 899 CA GLY A 59 -13.905 6.579 2.597 1.00 0.90 C ATOM 900 C GLY A 59 -13.289 6.973 1.254 1.00 0.83 C ATOM 901 O GLY A 59 -13.950 7.594 0.422 1.00 0.95 O ATOM 0 H GLY A 59 -12.526 5.754 3.943 1.00 0.90 H new ATOM 0 HA2 GLY A 59 -14.304 5.567 2.535 1.00 0.90 H new ATOM 0 HA3 GLY A 59 -14.742 7.239 2.824 1.00 0.90 H new ATOM 905 N PHE A 60 -12.030 6.597 1.084 1.00 0.70 N ATOM 906 CA PHE A 60 -11.353 6.804 -0.185 1.00 0.69 C ATOM 907 C PHE A 60 -10.232 5.781 -0.381 1.00 0.64 C ATOM 908 O PHE A 60 -10.311 4.928 -1.263 1.00 0.68 O ATOM 909 CB PHE A 60 -10.746 8.207 -0.146 1.00 0.73 C ATOM 910 CG PHE A 60 -9.854 8.533 -1.345 1.00 0.73 C ATOM 911 CD1 PHE A 60 -10.079 7.932 -2.544 1.00 2.07 C ATOM 912 CD2 PHE A 60 -8.835 9.425 -1.212 1.00 1.45 C ATOM 913 CE1 PHE A 60 -9.251 8.235 -3.657 1.00 2.08 C ATOM 914 CE2 PHE A 60 -8.007 9.728 -2.325 1.00 1.48 C ATOM 915 CZ PHE A 60 -8.233 9.126 -3.525 1.00 0.81 C ATOM 0 H PHE A 60 -11.461 6.150 1.803 1.00 0.70 H new ATOM 0 HA PHE A 60 -12.060 6.690 -1.007 1.00 0.69 H new ATOM 0 HB2 PHE A 60 -11.552 8.939 -0.096 1.00 0.73 H new ATOM 0 HB3 PHE A 60 -10.162 8.314 0.768 1.00 0.73 H new ATOM 0 HD1 PHE A 60 -10.888 7.224 -2.650 1.00 2.07 H new ATOM 0 HD2 PHE A 60 -8.656 9.902 -0.260 1.00 1.45 H new ATOM 0 HE1 PHE A 60 -9.430 7.757 -4.609 1.00 2.08 H new ATOM 0 HE2 PHE A 60 -7.198 10.436 -2.220 1.00 1.48 H new ATOM 0 HZ PHE A 60 -7.604 9.356 -4.372 1.00 0.81 H new ATOM 925 N MET A 61 -9.212 5.901 0.457 1.00 0.61 N ATOM 926 CA MET A 61 -8.033 5.063 0.327 1.00 0.66 C ATOM 927 C MET A 61 -7.138 5.179 1.562 1.00 0.68 C ATOM 928 O MET A 61 -7.363 6.032 2.418 1.00 0.64 O ATOM 929 CB MET A 61 -7.245 5.479 -0.917 1.00 0.76 C ATOM 930 CG MET A 61 -6.111 6.439 -0.551 1.00 0.92 C ATOM 931 SD MET A 61 -6.771 7.877 0.274 1.00 1.69 S ATOM 932 CE MET A 61 -5.329 8.402 1.185 1.00 0.99 C ATOM 0 H MET A 61 -9.179 6.567 1.229 1.00 0.61 H new ATOM 0 HA MET A 61 -8.356 4.026 0.233 1.00 0.66 H new ATOM 0 HB2 MET A 61 -6.835 4.595 -1.405 1.00 0.76 H new ATOM 0 HB3 MET A 61 -7.914 5.957 -1.633 1.00 0.76 H new ATOM 0 HG2 MET A 61 -5.392 5.936 0.096 1.00 0.92 H new ATOM 0 HG3 MET A 61 -5.574 6.740 -1.450 1.00 0.92 H new ATOM 0 HE1 MET A 61 -5.595 9.231 1.841 1.00 0.99 H new ATOM 0 HE2 MET A 61 -4.954 7.571 1.783 1.00 0.99 H new ATOM 0 HE3 MET A 61 -4.556 8.725 0.488 1.00 0.99 H new ATOM 942 N CYS A 62 -6.140 4.308 1.614 1.00 0.88 N ATOM 943 CA CYS A 62 -5.122 4.398 2.647 1.00 1.05 C ATOM 944 C CYS A 62 -3.759 4.140 2.002 1.00 1.32 C ATOM 945 O CYS A 62 -3.460 3.015 1.602 1.00 1.33 O ATOM 946 CB CYS A 62 -5.399 3.432 3.801 1.00 1.21 C ATOM 947 SG CYS A 62 -4.087 3.576 5.067 1.00 2.87 S ATOM 0 H CYS A 62 -6.015 3.537 0.958 1.00 0.88 H new ATOM 0 HA CYS A 62 -5.133 5.396 3.085 1.00 1.05 H new ATOM 0 HB2 CYS A 62 -6.370 3.652 4.245 1.00 1.21 H new ATOM 0 HB3 CYS A 62 -5.444 2.409 3.427 1.00 1.21 H new ATOM 0 HG CYS A 62 -3.033 2.924 4.675 1.00 2.87 H new ATOM 953 N GLN A 63 -2.968 5.199 1.919 1.00 1.85 N ATOM 954 CA GLN A 63 -1.717 5.144 1.182 1.00 2.38 C ATOM 955 C GLN A 63 -0.535 5.380 2.125 1.00 2.36 C ATOM 956 O GLN A 63 -0.643 6.144 3.082 1.00 2.71 O ATOM 957 CB GLN A 63 -1.713 6.155 0.034 1.00 2.99 C ATOM 958 CG GLN A 63 -1.642 7.588 0.565 1.00 4.19 C ATOM 959 CD GLN A 63 -0.219 8.139 0.470 1.00 5.16 C ATOM 960 OE1 GLN A 63 0.236 8.579 -0.573 1.00 6.04 O ATOM 961 NE2 GLN A 63 0.458 8.092 1.614 1.00 5.73 N ATOM 0 H GLN A 63 -3.169 6.101 2.350 1.00 1.85 H new ATOM 0 HA GLN A 63 -1.617 4.150 0.747 1.00 2.38 H new ATOM 0 HB2 GLN A 63 -0.863 5.964 -0.621 1.00 2.99 H new ATOM 0 HB3 GLN A 63 -2.613 6.031 -0.568 1.00 2.99 H new ATOM 0 HG2 GLN A 63 -2.321 8.224 -0.003 1.00 4.19 H new ATOM 0 HG3 GLN A 63 -1.976 7.612 1.602 1.00 4.19 H new ATOM 0 HE21 GLN A 63 0.018 7.711 2.452 1.00 5.73 H new ATOM 0 HE22 GLN A 63 1.417 8.437 1.654 1.00 5.73 H new ATOM 970 N GLY A 64 0.565 4.709 1.819 1.00 2.18 N ATOM 971 CA GLY A 64 1.766 4.832 2.629 1.00 2.33 C ATOM 972 C GLY A 64 2.918 4.024 2.029 1.00 2.35 C ATOM 973 O GLY A 64 2.765 3.406 0.977 1.00 3.16 O ATOM 0 H GLY A 64 0.651 4.078 1.022 1.00 2.18 H new ATOM 0 HA2 GLY A 64 2.053 5.881 2.703 1.00 2.33 H new ATOM 0 HA3 GLY A 64 1.563 4.485 3.642 1.00 2.33 H new ATOM 977 N GLY A 65 4.046 4.058 2.722 1.00 2.14 N ATOM 978 CA GLY A 65 5.211 3.301 2.295 1.00 2.46 C ATOM 979 C GLY A 65 6.498 4.094 2.533 1.00 2.02 C ATOM 980 O GLY A 65 7.168 4.495 1.583 1.00 2.81 O ATOM 0 H GLY A 65 4.179 4.598 3.577 1.00 2.14 H new ATOM 0 HA2 GLY A 65 5.255 2.357 2.839 1.00 2.46 H new ATOM 0 HA3 GLY A 65 5.122 3.055 1.237 1.00 2.46 H new ATOM 984 N ASP A 66 6.804 4.296 3.806 1.00 1.93 N ATOM 985 CA ASP A 66 8.039 4.962 4.181 1.00 2.23 C ATOM 986 C ASP A 66 8.521 4.413 5.526 1.00 2.14 C ATOM 987 O ASP A 66 7.786 4.443 6.512 1.00 2.76 O ATOM 988 CB ASP A 66 7.828 6.469 4.334 1.00 3.19 C ATOM 989 CG ASP A 66 9.105 7.311 4.274 1.00 4.49 C ATOM 990 OD1 ASP A 66 10.112 6.855 4.858 1.00 5.27 O ATOM 991 OD2 ASP A 66 9.046 8.389 3.646 1.00 5.42 O ATOM 0 H ASP A 66 6.218 4.010 4.590 1.00 1.93 H new ATOM 0 HA ASP A 66 8.773 4.779 3.396 1.00 2.23 H new ATOM 0 HB2 ASP A 66 7.151 6.807 3.550 1.00 3.19 H new ATOM 0 HB3 ASP A 66 7.332 6.656 5.286 1.00 3.19 H new ATOM 996 N PHE A 67 9.753 3.925 5.523 1.00 2.22 N ATOM 997 CA PHE A 67 10.263 3.175 6.658 1.00 2.88 C ATOM 998 C PHE A 67 11.686 3.613 7.010 1.00 3.23 C ATOM 999 O PHE A 67 12.511 2.794 7.411 1.00 4.16 O ATOM 1000 CB PHE A 67 10.284 1.701 6.248 1.00 3.42 C ATOM 1001 CG PHE A 67 11.091 1.419 4.979 1.00 2.75 C ATOM 1002 CD1 PHE A 67 10.532 1.624 3.757 1.00 3.09 C ATOM 1003 CD2 PHE A 67 12.369 0.964 5.074 1.00 3.42 C ATOM 1004 CE1 PHE A 67 11.281 1.363 2.580 1.00 4.07 C ATOM 1005 CE2 PHE A 67 13.119 0.702 3.897 1.00 3.94 C ATOM 1006 CZ PHE A 67 12.559 0.907 2.675 1.00 4.25 C ATOM 0 H PHE A 67 10.413 4.034 4.753 1.00 2.22 H new ATOM 0 HA PHE A 67 9.632 3.346 7.530 1.00 2.88 H new ATOM 0 HB2 PHE A 67 10.697 1.113 7.067 1.00 3.42 H new ATOM 0 HB3 PHE A 67 9.259 1.362 6.097 1.00 3.42 H new ATOM 0 HD1 PHE A 67 9.517 1.986 3.682 1.00 3.09 H new ATOM 0 HD2 PHE A 67 12.814 0.802 6.045 1.00 3.42 H new ATOM 0 HE1 PHE A 67 10.836 1.526 1.609 1.00 4.07 H new ATOM 0 HE2 PHE A 67 14.134 0.340 3.972 1.00 3.94 H new ATOM 0 HZ PHE A 67 13.129 0.708 1.780 1.00 4.25 H new ATOM 1016 N THR A 68 11.929 4.905 6.847 1.00 2.94 N ATOM 1017 CA THR A 68 13.229 5.469 7.175 1.00 3.53 C ATOM 1018 C THR A 68 13.140 6.994 7.263 1.00 3.40 C ATOM 1019 O THR A 68 13.676 7.598 8.192 1.00 4.10 O ATOM 1020 CB THR A 68 14.234 4.977 6.132 1.00 3.97 C ATOM 1021 OG1 THR A 68 15.492 5.433 6.621 1.00 4.67 O ATOM 1022 CG2 THR A 68 14.077 5.689 4.786 1.00 3.82 C ATOM 0 H THR A 68 11.249 5.578 6.493 1.00 2.94 H new ATOM 0 HA THR A 68 13.569 5.137 8.156 1.00 3.53 H new ATOM 0 HB THR A 68 14.114 3.903 5.991 1.00 3.97 H new ATOM 0 HG1 THR A 68 16.202 5.156 6.005 1.00 4.67 H new ATOM 0 HG21 THR A 68 14.814 5.303 4.082 1.00 3.82 H new ATOM 0 HG22 THR A 68 13.075 5.512 4.396 1.00 3.82 H new ATOM 0 HG23 THR A 68 14.230 6.760 4.921 1.00 3.82 H new ATOM 1030 N ARG A 69 12.462 7.573 6.284 1.00 2.88 N ATOM 1031 CA ARG A 69 12.359 9.020 6.199 1.00 3.19 C ATOM 1032 C ARG A 69 11.161 9.516 7.011 1.00 3.51 C ATOM 1033 O ARG A 69 11.230 10.565 7.648 1.00 4.48 O ATOM 1034 CB ARG A 69 12.207 9.477 4.747 1.00 3.39 C ATOM 1035 CG ARG A 69 12.351 10.997 4.632 1.00 4.26 C ATOM 1036 CD ARG A 69 13.620 11.481 5.336 1.00 5.02 C ATOM 1037 NE ARG A 69 13.308 11.876 6.728 1.00 6.58 N ATOM 1038 CZ ARG A 69 14.234 12.145 7.658 1.00 7.43 C ATOM 1039 NH1 ARG A 69 15.526 12.226 7.312 1.00 7.12 N ATOM 1040 NH2 ARG A 69 13.868 12.331 8.933 1.00 9.11 N ATOM 0 H ARG A 69 11.978 7.067 5.542 1.00 2.88 H new ATOM 0 HA ARG A 69 13.278 9.442 6.606 1.00 3.19 H new ATOM 0 HB2 ARG A 69 12.960 8.989 4.128 1.00 3.39 H new ATOM 0 HB3 ARG A 69 11.233 9.171 4.366 1.00 3.39 H new ATOM 0 HG2 ARG A 69 12.381 11.285 3.581 1.00 4.26 H new ATOM 0 HG3 ARG A 69 11.479 11.483 5.071 1.00 4.26 H new ATOM 0 HD2 ARG A 69 14.371 10.691 5.333 1.00 5.02 H new ATOM 0 HD3 ARG A 69 14.045 12.327 4.796 1.00 5.02 H new ATOM 0 HE ARG A 69 12.326 11.948 6.996 1.00 6.58 H new ATOM 0 HH11 ARG A 69 15.804 12.083 6.341 1.00 7.12 H new ATOM 0 HH12 ARG A 69 16.232 12.431 8.020 1.00 7.12 H new ATOM 0 HH21 ARG A 69 12.884 12.268 9.196 1.00 9.11 H new ATOM 0 HH22 ARG A 69 14.573 12.536 9.641 1.00 9.11 H new ATOM 1054 N HIS A 70 10.090 8.737 6.961 1.00 3.15 N ATOM 1055 CA HIS A 70 8.885 9.073 7.702 1.00 3.73 C ATOM 1056 C HIS A 70 8.475 10.513 7.389 1.00 3.90 C ATOM 1057 O HIS A 70 8.360 11.340 8.293 1.00 4.53 O ATOM 1058 CB HIS A 70 9.081 8.823 9.198 1.00 4.16 C ATOM 1059 CG HIS A 70 9.601 7.444 9.529 1.00 4.05 C ATOM 1060 ND1 HIS A 70 10.950 7.160 9.644 1.00 4.19 N ATOM 1061 CD2 HIS A 70 8.940 6.276 9.768 1.00 4.71 C ATOM 1062 CE1 HIS A 70 11.083 5.876 9.939 1.00 4.36 C ATOM 1063 NE2 HIS A 70 9.836 5.329 10.014 1.00 4.69 N ATOM 0 H HIS A 70 10.031 7.875 6.419 1.00 3.15 H new ATOM 0 HA HIS A 70 8.067 8.424 7.389 1.00 3.73 H new ATOM 0 HB2 HIS A 70 9.775 9.566 9.592 1.00 4.16 H new ATOM 0 HB3 HIS A 70 8.130 8.973 9.708 1.00 4.16 H new ATOM 0 HD1 HIS A 70 11.713 7.826 9.522 1.00 4.19 H new ATOM 0 HD2 HIS A 70 7.868 6.144 9.759 1.00 4.71 H new ATOM 0 HE1 HIS A 70 12.016 5.354 10.093 1.00 4.36 H new ATOM 1071 N ASN A 71 8.267 10.770 6.106 1.00 3.65 N ATOM 1072 CA ASN A 71 7.793 12.073 5.671 1.00 4.05 C ATOM 1073 C ASN A 71 7.021 11.918 4.359 1.00 4.19 C ATOM 1074 O ASN A 71 5.918 12.442 4.218 1.00 5.01 O ATOM 1075 CB ASN A 71 8.961 13.029 5.422 1.00 4.05 C ATOM 1076 CG ASN A 71 9.647 13.410 6.736 1.00 5.07 C ATOM 1077 OD1 ASN A 71 10.784 13.056 6.998 1.00 5.66 O ATOM 1078 ND2 ASN A 71 8.893 14.149 7.544 1.00 6.22 N ATOM 0 H ASN A 71 8.418 10.098 5.354 1.00 3.65 H new ATOM 0 HA ASN A 71 7.156 12.479 6.456 1.00 4.05 H new ATOM 0 HB2 ASN A 71 9.683 12.560 4.753 1.00 4.05 H new ATOM 0 HB3 ASN A 71 8.600 13.928 4.922 1.00 4.05 H new ATOM 0 HD21 ASN A 71 9.259 14.455 8.446 1.00 6.22 H new ATOM 0 HD22 ASN A 71 7.948 14.410 7.262 1.00 6.22 H new ATOM 1085 N GLY A 72 7.632 11.195 3.431 1.00 3.67 N ATOM 1086 CA GLY A 72 7.041 11.009 2.118 1.00 3.99 C ATOM 1087 C GLY A 72 7.997 10.261 1.187 1.00 3.29 C ATOM 1088 O GLY A 72 8.798 10.879 0.486 1.00 3.79 O ATOM 0 H GLY A 72 8.531 10.731 3.564 1.00 3.67 H new ATOM 0 HA2 GLY A 72 6.108 10.452 2.211 1.00 3.99 H new ATOM 0 HA3 GLY A 72 6.792 11.979 1.687 1.00 3.99 H new ATOM 1092 N THR A 73 7.883 8.941 1.210 1.00 3.34 N ATOM 1093 CA THR A 73 8.576 8.113 0.237 1.00 3.12 C ATOM 1094 C THR A 73 10.040 8.543 0.117 1.00 2.13 C ATOM 1095 O THR A 73 10.587 8.594 -0.983 1.00 2.83 O ATOM 1096 CB THR A 73 7.809 8.193 -1.084 1.00 3.95 C ATOM 1097 OG1 THR A 73 8.541 7.344 -1.964 1.00 5.18 O ATOM 1098 CG2 THR A 73 7.905 9.575 -1.734 1.00 3.14 C ATOM 0 H THR A 73 7.321 8.424 1.887 1.00 3.34 H new ATOM 0 HA THR A 73 8.601 7.070 0.552 1.00 3.12 H new ATOM 0 HB THR A 73 6.762 7.945 -0.910 1.00 3.95 H new ATOM 0 HG1 THR A 73 9.475 7.639 -2.001 1.00 5.18 H new ATOM 0 HG21 THR A 73 7.344 9.577 -2.668 1.00 3.14 H new ATOM 0 HG22 THR A 73 7.490 10.324 -1.059 1.00 3.14 H new ATOM 0 HG23 THR A 73 8.950 9.809 -1.938 1.00 3.14 H new ATOM 1106 N GLY A 74 10.632 8.841 1.264 1.00 2.04 N ATOM 1107 CA GLY A 74 12.030 9.237 1.304 1.00 2.47 C ATOM 1108 C GLY A 74 12.947 8.032 1.081 1.00 3.12 C ATOM 1109 O GLY A 74 14.039 8.173 0.535 1.00 4.33 O ATOM 0 H GLY A 74 10.169 8.816 2.173 1.00 2.04 H new ATOM 0 HA2 GLY A 74 12.221 9.990 0.539 1.00 2.47 H new ATOM 0 HA3 GLY A 74 12.254 9.696 2.267 1.00 2.47 H new ATOM 1113 N GLY A 75 12.467 6.875 1.514 1.00 2.87 N ATOM 1114 CA GLY A 75 13.263 5.662 1.444 1.00 3.74 C ATOM 1115 C GLY A 75 13.449 5.212 -0.007 1.00 3.07 C ATOM 1116 O GLY A 75 13.150 5.961 -0.935 1.00 3.35 O ATOM 0 H GLY A 75 11.537 6.752 1.914 1.00 2.87 H new ATOM 0 HA2 GLY A 75 14.237 5.835 1.903 1.00 3.74 H new ATOM 0 HA3 GLY A 75 12.777 4.870 2.015 1.00 3.74 H new ATOM 1120 N LYS A 76 13.942 3.991 -0.155 1.00 2.78 N ATOM 1121 CA LYS A 76 14.208 3.447 -1.476 1.00 2.34 C ATOM 1122 C LYS A 76 13.408 2.157 -1.662 1.00 2.14 C ATOM 1123 O LYS A 76 12.774 1.675 -0.725 1.00 2.52 O ATOM 1124 CB LYS A 76 15.713 3.274 -1.690 1.00 2.64 C ATOM 1125 CG LYS A 76 16.333 4.544 -2.275 1.00 3.62 C ATOM 1126 CD LYS A 76 16.669 5.550 -1.172 1.00 4.13 C ATOM 1127 CE LYS A 76 16.609 6.984 -1.702 1.00 4.74 C ATOM 1128 NZ LYS A 76 15.204 7.428 -1.841 1.00 5.25 N ATOM 0 H LYS A 76 14.164 3.363 0.618 1.00 2.78 H new ATOM 0 HA LYS A 76 13.877 4.141 -2.248 1.00 2.34 H new ATOM 0 HB2 LYS A 76 16.194 3.034 -0.742 1.00 2.64 H new ATOM 0 HB3 LYS A 76 15.894 2.434 -2.361 1.00 2.64 H new ATOM 0 HG2 LYS A 76 17.237 4.290 -2.828 1.00 3.62 H new ATOM 0 HG3 LYS A 76 15.641 4.996 -2.986 1.00 3.62 H new ATOM 0 HD2 LYS A 76 15.969 5.435 -0.344 1.00 4.13 H new ATOM 0 HD3 LYS A 76 17.665 5.345 -0.779 1.00 4.13 H new ATOM 0 HE2 LYS A 76 17.142 7.651 -1.024 1.00 4.74 H new ATOM 0 HE3 LYS A 76 17.112 7.042 -2.667 1.00 4.74 H new ATOM 0 HZ1 LYS A 76 15.051 7.800 -2.800 1.00 5.25 H new ATOM 0 HZ2 LYS A 76 14.567 6.622 -1.676 1.00 5.25 H new ATOM 0 HZ3 LYS A 76 15.005 8.174 -1.144 1.00 5.25 H new ATOM 1142 N SER A 77 13.464 1.634 -2.878 1.00 1.78 N ATOM 1143 CA SER A 77 12.693 0.450 -3.221 1.00 1.76 C ATOM 1144 C SER A 77 13.554 -0.802 -3.047 1.00 1.64 C ATOM 1145 O SER A 77 14.610 -0.752 -2.417 1.00 2.01 O ATOM 1146 CB SER A 77 12.161 0.535 -4.652 1.00 1.84 C ATOM 1147 OG SER A 77 11.484 -0.659 -5.041 1.00 2.29 O ATOM 0 H SER A 77 14.031 2.008 -3.639 1.00 1.78 H new ATOM 0 HA SER A 77 11.837 0.391 -2.548 1.00 1.76 H new ATOM 0 HB2 SER A 77 11.480 1.382 -4.736 1.00 1.84 H new ATOM 0 HB3 SER A 77 12.989 0.722 -5.336 1.00 1.84 H new ATOM 0 HG SER A 77 10.584 -0.666 -4.654 1.00 2.29 H new ATOM 1153 N ILE A 78 13.071 -1.897 -3.617 1.00 1.44 N ATOM 1154 CA ILE A 78 13.725 -3.183 -3.442 1.00 1.56 C ATOM 1155 C ILE A 78 14.697 -3.418 -4.599 1.00 1.52 C ATOM 1156 O ILE A 78 15.678 -4.145 -4.453 1.00 1.79 O ATOM 1157 CB ILE A 78 12.686 -4.293 -3.275 1.00 1.88 C ATOM 1158 CG1 ILE A 78 12.321 -4.487 -1.802 1.00 3.78 C ATOM 1159 CG2 ILE A 78 13.165 -5.594 -3.923 1.00 1.50 C ATOM 1160 CD1 ILE A 78 13.337 -5.390 -1.100 1.00 4.56 C ATOM 0 H ILE A 78 12.235 -1.920 -4.200 1.00 1.44 H new ATOM 0 HA ILE A 78 14.315 -3.190 -2.525 1.00 1.56 H new ATOM 0 HB ILE A 78 11.777 -3.990 -3.794 1.00 1.88 H new ATOM 0 HG12 ILE A 78 12.283 -3.519 -1.302 1.00 3.78 H new ATOM 0 HG13 ILE A 78 11.326 -4.925 -1.725 1.00 3.78 H new ATOM 0 HG21 ILE A 78 12.408 -6.367 -3.790 1.00 1.50 H new ATOM 0 HG22 ILE A 78 13.333 -5.430 -4.987 1.00 1.50 H new ATOM 0 HG23 ILE A 78 14.096 -5.913 -3.454 1.00 1.50 H new ATOM 0 HD11 ILE A 78 13.054 -5.512 -0.054 1.00 4.56 H new ATOM 0 HD12 ILE A 78 13.355 -6.365 -1.587 1.00 4.56 H new ATOM 0 HD13 ILE A 78 14.327 -4.938 -1.158 1.00 4.56 H new ATOM 1172 N TYR A 79 14.390 -2.789 -5.725 1.00 1.35 N ATOM 1173 CA TYR A 79 15.200 -2.955 -6.920 1.00 1.44 C ATOM 1174 C TYR A 79 16.136 -1.761 -7.118 1.00 1.43 C ATOM 1175 O TYR A 79 16.984 -1.773 -8.009 1.00 1.70 O ATOM 1176 CB TYR A 79 14.217 -3.016 -8.090 1.00 1.42 C ATOM 1177 CG TYR A 79 13.749 -4.432 -8.437 1.00 1.46 C ATOM 1178 CD1 TYR A 79 14.677 -5.413 -8.725 1.00 2.44 C ATOM 1179 CD2 TYR A 79 12.402 -4.727 -8.461 1.00 2.50 C ATOM 1180 CE1 TYR A 79 14.237 -6.745 -9.051 1.00 2.66 C ATOM 1181 CE2 TYR A 79 11.962 -6.058 -8.787 1.00 2.61 C ATOM 1182 CZ TYR A 79 12.901 -7.002 -9.066 1.00 1.93 C ATOM 1183 OH TYR A 79 12.486 -8.260 -9.374 1.00 2.27 O ATOM 0 H TYR A 79 13.592 -2.164 -5.834 1.00 1.35 H new ATOM 0 HA TYR A 79 15.817 -3.851 -6.844 1.00 1.44 H new ATOM 0 HB2 TYR A 79 13.346 -2.405 -7.852 1.00 1.42 H new ATOM 0 HB3 TYR A 79 14.686 -2.574 -8.969 1.00 1.42 H new ATOM 0 HD1 TYR A 79 15.732 -5.182 -8.706 1.00 2.44 H new ATOM 0 HD2 TYR A 79 11.677 -3.959 -8.235 1.00 2.50 H new ATOM 0 HE1 TYR A 79 14.951 -7.522 -9.278 1.00 2.66 H new ATOM 0 HE2 TYR A 79 10.910 -6.302 -8.810 1.00 2.61 H new ATOM 0 HH TYR A 79 12.401 -8.787 -8.552 1.00 2.27 H new ATOM 1193 N GLY A 80 15.951 -0.758 -6.272 1.00 1.29 N ATOM 1194 CA GLY A 80 16.766 0.443 -6.346 1.00 1.35 C ATOM 1195 C GLY A 80 16.007 1.655 -5.799 1.00 1.48 C ATOM 1196 O GLY A 80 15.372 1.572 -4.751 1.00 2.55 O ATOM 0 H GLY A 80 15.249 -0.752 -5.532 1.00 1.29 H new ATOM 0 HA2 GLY A 80 17.685 0.299 -5.778 1.00 1.35 H new ATOM 0 HA3 GLY A 80 17.056 0.627 -7.381 1.00 1.35 H new ATOM 1200 N GLU A 81 16.100 2.752 -6.537 1.00 1.48 N ATOM 1201 CA GLU A 81 15.460 3.989 -6.121 1.00 1.63 C ATOM 1202 C GLU A 81 13.979 3.973 -6.500 1.00 1.49 C ATOM 1203 O GLU A 81 13.157 4.597 -5.829 1.00 1.80 O ATOM 1204 CB GLU A 81 16.168 5.202 -6.727 1.00 1.78 C ATOM 1205 CG GLU A 81 16.486 6.245 -5.653 1.00 2.62 C ATOM 1206 CD GLU A 81 15.244 7.069 -5.305 1.00 2.43 C ATOM 1207 OE1 GLU A 81 14.946 8.003 -6.081 1.00 3.20 O ATOM 1208 OE2 GLU A 81 14.621 6.747 -4.271 1.00 3.28 O ATOM 0 H GLU A 81 16.608 2.810 -7.419 1.00 1.48 H new ATOM 0 HA GLU A 81 15.536 4.069 -5.037 1.00 1.63 H new ATOM 0 HB2 GLU A 81 17.090 4.884 -7.214 1.00 1.78 H new ATOM 0 HB3 GLU A 81 15.538 5.648 -7.497 1.00 1.78 H new ATOM 0 HG2 GLU A 81 16.860 5.748 -4.758 1.00 2.62 H new ATOM 0 HG3 GLU A 81 17.278 6.906 -6.005 1.00 2.62 H new ATOM 1215 N LYS A 82 13.682 3.253 -7.571 1.00 1.23 N ATOM 1216 CA LYS A 82 12.312 3.143 -8.044 1.00 1.30 C ATOM 1217 C LYS A 82 12.218 2.007 -9.064 1.00 1.24 C ATOM 1218 O LYS A 82 13.233 1.434 -9.454 1.00 1.18 O ATOM 1219 CB LYS A 82 11.818 4.490 -8.576 1.00 1.40 C ATOM 1220 CG LYS A 82 12.886 5.160 -9.444 1.00 1.69 C ATOM 1221 CD LYS A 82 12.611 6.659 -9.590 1.00 2.10 C ATOM 1222 CE LYS A 82 13.140 7.434 -8.383 1.00 3.10 C ATOM 1223 NZ LYS A 82 14.494 7.965 -8.659 1.00 3.83 N ATOM 0 H LYS A 82 14.367 2.739 -8.126 1.00 1.23 H new ATOM 0 HA LYS A 82 11.645 2.888 -7.221 1.00 1.30 H new ATOM 0 HB2 LYS A 82 10.909 4.344 -9.159 1.00 1.40 H new ATOM 0 HB3 LYS A 82 11.560 5.142 -7.742 1.00 1.40 H new ATOM 0 HG2 LYS A 82 13.869 5.008 -8.999 1.00 1.69 H new ATOM 0 HG3 LYS A 82 12.906 4.692 -10.428 1.00 1.69 H new ATOM 0 HD2 LYS A 82 13.081 7.031 -10.500 1.00 2.10 H new ATOM 0 HD3 LYS A 82 11.539 6.827 -9.693 1.00 2.10 H new ATOM 0 HE2 LYS A 82 12.463 8.254 -8.145 1.00 3.10 H new ATOM 0 HE3 LYS A 82 13.170 6.782 -7.510 1.00 3.10 H new ATOM 0 HZ1 LYS A 82 15.054 7.960 -7.783 1.00 3.83 H new ATOM 0 HZ2 LYS A 82 14.961 7.370 -9.373 1.00 3.83 H new ATOM 0 HZ3 LYS A 82 14.419 8.939 -9.016 1.00 3.83 H new ATOM 1237 N PHE A 83 10.990 1.716 -9.467 1.00 1.42 N ATOM 1238 CA PHE A 83 10.742 0.611 -10.377 1.00 1.59 C ATOM 1239 C PHE A 83 9.685 0.984 -11.417 1.00 1.46 C ATOM 1240 O PHE A 83 8.745 1.719 -11.117 1.00 1.41 O ATOM 1241 CB PHE A 83 10.223 -0.555 -9.535 1.00 1.99 C ATOM 1242 CG PHE A 83 9.098 -1.351 -10.201 1.00 1.26 C ATOM 1243 CD1 PHE A 83 9.394 -2.308 -11.121 1.00 1.86 C ATOM 1244 CD2 PHE A 83 7.802 -1.101 -9.872 1.00 2.07 C ATOM 1245 CE1 PHE A 83 8.350 -3.045 -11.739 1.00 2.39 C ATOM 1246 CE2 PHE A 83 6.758 -1.839 -10.491 1.00 2.18 C ATOM 1247 CZ PHE A 83 7.055 -2.797 -11.411 1.00 2.06 C ATOM 0 H PHE A 83 10.155 2.227 -9.180 1.00 1.42 H new ATOM 0 HA PHE A 83 11.659 0.353 -10.907 1.00 1.59 H new ATOM 0 HB2 PHE A 83 11.051 -1.229 -9.317 1.00 1.99 H new ATOM 0 HB3 PHE A 83 9.866 -0.170 -8.580 1.00 1.99 H new ATOM 0 HD1 PHE A 83 10.423 -2.507 -11.381 1.00 1.86 H new ATOM 0 HD2 PHE A 83 7.567 -0.342 -9.141 1.00 2.07 H new ATOM 0 HE1 PHE A 83 8.585 -3.804 -12.471 1.00 2.39 H new ATOM 0 HE2 PHE A 83 5.729 -1.640 -10.232 1.00 2.18 H new ATOM 0 HZ PHE A 83 6.262 -3.360 -11.880 1.00 2.06 H new ATOM 1257 N GLU A 84 9.873 0.462 -12.621 1.00 1.50 N ATOM 1258 CA GLU A 84 9.035 0.846 -13.743 1.00 1.51 C ATOM 1259 C GLU A 84 7.589 0.411 -13.499 1.00 1.37 C ATOM 1260 O GLU A 84 7.306 -0.306 -12.541 1.00 1.32 O ATOM 1261 CB GLU A 84 9.569 0.262 -15.053 1.00 1.67 C ATOM 1262 CG GLU A 84 9.420 -1.260 -15.074 1.00 2.18 C ATOM 1263 CD GLU A 84 10.200 -1.871 -16.241 1.00 2.40 C ATOM 1264 OE1 GLU A 84 9.727 -1.711 -17.386 1.00 3.03 O ATOM 1265 OE2 GLU A 84 11.253 -2.484 -15.961 1.00 3.10 O ATOM 0 H GLU A 84 10.594 -0.224 -12.843 1.00 1.50 H new ATOM 0 HA GLU A 84 9.058 1.932 -13.832 1.00 1.51 H new ATOM 0 HB2 GLU A 84 9.030 0.696 -15.895 1.00 1.67 H new ATOM 0 HB3 GLU A 84 10.619 0.530 -15.174 1.00 1.67 H new ATOM 0 HG2 GLU A 84 9.780 -1.677 -14.133 1.00 2.18 H new ATOM 0 HG3 GLU A 84 8.366 -1.525 -15.158 1.00 2.18 H new ATOM 1272 N ASP A 85 6.711 0.864 -14.382 1.00 1.44 N ATOM 1273 CA ASP A 85 5.309 0.492 -14.302 1.00 1.42 C ATOM 1274 C ASP A 85 5.016 -0.602 -15.331 1.00 1.52 C ATOM 1275 O ASP A 85 5.447 -0.511 -16.479 1.00 2.34 O ATOM 1276 CB ASP A 85 4.404 1.686 -14.611 1.00 1.61 C ATOM 1277 CG ASP A 85 4.720 2.958 -13.822 1.00 2.62 C ATOM 1278 OD1 ASP A 85 4.181 3.079 -12.700 1.00 3.25 O ATOM 1279 OD2 ASP A 85 5.493 3.781 -14.357 1.00 3.78 O ATOM 0 H ASP A 85 6.944 1.485 -15.157 1.00 1.44 H new ATOM 0 HA ASP A 85 5.111 0.142 -13.289 1.00 1.42 H new ATOM 0 HB2 ASP A 85 4.474 1.910 -15.675 1.00 1.61 H new ATOM 0 HB3 ASP A 85 3.371 1.401 -14.413 1.00 1.61 H new ATOM 1284 N GLU A 86 4.285 -1.612 -14.882 1.00 1.16 N ATOM 1285 CA GLU A 86 3.935 -2.725 -15.748 1.00 1.20 C ATOM 1286 C GLU A 86 2.924 -2.277 -16.805 1.00 1.35 C ATOM 1287 O GLU A 86 3.277 -1.570 -17.747 1.00 2.09 O ATOM 1288 CB GLU A 86 3.393 -3.902 -14.935 1.00 1.14 C ATOM 1289 CG GLU A 86 2.423 -3.422 -13.854 1.00 3.12 C ATOM 1290 CD GLU A 86 3.100 -3.400 -12.482 1.00 4.27 C ATOM 1291 OE1 GLU A 86 3.853 -2.432 -12.236 1.00 5.36 O ATOM 1292 OE2 GLU A 86 2.849 -4.351 -11.710 1.00 4.90 O ATOM 0 H GLU A 86 3.926 -1.683 -13.930 1.00 1.16 H new ATOM 0 HA GLU A 86 4.838 -3.062 -16.257 1.00 1.20 H new ATOM 0 HB2 GLU A 86 2.886 -4.603 -15.598 1.00 1.14 H new ATOM 0 HB3 GLU A 86 4.220 -4.441 -14.473 1.00 1.14 H new ATOM 0 HG2 GLU A 86 2.062 -2.424 -14.101 1.00 3.12 H new ATOM 0 HG3 GLU A 86 1.553 -4.078 -13.824 1.00 3.12 H new ATOM 1299 N ASN A 87 1.685 -2.706 -16.613 1.00 0.78 N ATOM 1300 CA ASN A 87 0.625 -2.376 -17.550 1.00 0.88 C ATOM 1301 C ASN A 87 -0.712 -2.332 -16.806 1.00 0.68 C ATOM 1302 O ASN A 87 -0.837 -2.884 -15.714 1.00 0.82 O ATOM 1303 CB ASN A 87 0.516 -3.430 -18.653 1.00 1.23 C ATOM 1304 CG ASN A 87 1.149 -4.752 -18.213 1.00 1.70 C ATOM 1305 OD1 ASN A 87 0.556 -5.313 -17.164 1.00 3.32 O flip ATOM 1306 ND2 ASN A 87 2.113 -5.230 -18.788 1.00 1.23 N flip ATOM 0 H ASN A 87 1.392 -3.279 -15.822 1.00 0.78 H new ATOM 0 HA ASN A 87 0.859 -1.410 -17.996 1.00 0.88 H new ATOM 0 HB2 ASN A 87 -0.532 -3.591 -18.905 1.00 1.23 H new ATOM 0 HB3 ASN A 87 1.009 -3.069 -19.556 1.00 1.23 H new ATOM 0 HD21 ASN A 87 2.521 -4.747 -19.588 1.00 1.23 H new ATOM 0 HD22 ASN A 87 2.511 -6.113 -18.468 1.00 1.23 H new ATOM 1313 N PHE A 88 -1.677 -1.670 -17.427 1.00 0.83 N ATOM 1314 CA PHE A 88 -2.999 -1.544 -16.836 1.00 0.72 C ATOM 1315 C PHE A 88 -3.938 -2.631 -17.360 1.00 0.79 C ATOM 1316 O PHE A 88 -5.080 -2.347 -17.723 1.00 0.86 O ATOM 1317 CB PHE A 88 -3.543 -0.173 -17.245 1.00 0.74 C ATOM 1318 CG PHE A 88 -2.687 1.002 -16.772 1.00 0.83 C ATOM 1319 CD1 PHE A 88 -2.443 1.176 -15.446 1.00 1.74 C ATOM 1320 CD2 PHE A 88 -2.169 1.874 -17.678 1.00 1.88 C ATOM 1321 CE1 PHE A 88 -1.649 2.269 -15.006 1.00 1.99 C ATOM 1322 CE2 PHE A 88 -1.375 2.967 -17.239 1.00 1.92 C ATOM 1323 CZ PHE A 88 -1.132 3.140 -15.913 1.00 1.32 C ATOM 0 H PHE A 88 -1.570 -1.215 -18.334 1.00 0.83 H new ATOM 0 HA PHE A 88 -2.935 -1.649 -15.753 1.00 0.72 H new ATOM 0 HB2 PHE A 88 -3.625 -0.135 -18.331 1.00 0.74 H new ATOM 0 HB3 PHE A 88 -4.551 -0.059 -16.845 1.00 0.74 H new ATOM 0 HD1 PHE A 88 -2.853 0.483 -14.726 1.00 1.74 H new ATOM 0 HD2 PHE A 88 -2.361 1.735 -18.732 1.00 1.88 H new ATOM 0 HE1 PHE A 88 -1.456 2.408 -13.952 1.00 1.99 H new ATOM 0 HE2 PHE A 88 -0.965 3.660 -17.958 1.00 1.92 H new ATOM 0 HZ PHE A 88 -0.527 3.970 -15.579 1.00 1.32 H new ATOM 1333 N ILE A 89 -3.426 -3.853 -17.383 1.00 0.87 N ATOM 1334 CA ILE A 89 -4.243 -5.001 -17.733 1.00 0.97 C ATOM 1335 C ILE A 89 -5.294 -5.225 -16.642 1.00 0.95 C ATOM 1336 O ILE A 89 -6.377 -5.741 -16.915 1.00 1.10 O ATOM 1337 CB ILE A 89 -3.364 -6.223 -18.000 1.00 1.20 C ATOM 1338 CG1 ILE A 89 -2.581 -6.061 -19.304 1.00 1.29 C ATOM 1339 CG2 ILE A 89 -4.193 -7.510 -17.985 1.00 1.35 C ATOM 1340 CD1 ILE A 89 -1.450 -7.086 -19.397 1.00 1.47 C ATOM 0 H ILE A 89 -2.454 -4.072 -17.165 1.00 0.87 H new ATOM 0 HA ILE A 89 -4.782 -4.816 -18.662 1.00 0.97 H new ATOM 0 HB ILE A 89 -2.634 -6.301 -17.194 1.00 1.20 H new ATOM 0 HG12 ILE A 89 -3.254 -6.179 -20.153 1.00 1.29 H new ATOM 0 HG13 ILE A 89 -2.169 -5.054 -19.362 1.00 1.29 H new ATOM 0 HG21 ILE A 89 -3.543 -8.364 -18.178 1.00 1.35 H new ATOM 0 HG22 ILE A 89 -4.666 -7.627 -17.010 1.00 1.35 H new ATOM 0 HG23 ILE A 89 -4.961 -7.457 -18.757 1.00 1.35 H new ATOM 0 HD11 ILE A 89 -0.910 -6.948 -20.334 1.00 1.47 H new ATOM 0 HD12 ILE A 89 -0.765 -6.949 -18.560 1.00 1.47 H new ATOM 0 HD13 ILE A 89 -1.867 -8.092 -19.364 1.00 1.47 H new ATOM 1352 N LEU A 90 -4.936 -4.827 -15.431 1.00 0.90 N ATOM 1353 CA LEU A 90 -5.854 -4.928 -14.309 1.00 0.88 C ATOM 1354 C LEU A 90 -6.774 -3.705 -14.297 1.00 0.81 C ATOM 1355 O LEU A 90 -6.581 -2.771 -15.074 1.00 0.97 O ATOM 1356 CB LEU A 90 -5.083 -5.130 -13.002 1.00 0.93 C ATOM 1357 CG LEU A 90 -4.179 -6.362 -12.942 1.00 1.39 C ATOM 1358 CD1 LEU A 90 -4.893 -7.596 -13.498 1.00 1.14 C ATOM 1359 CD2 LEU A 90 -2.848 -6.101 -13.651 1.00 3.21 C ATOM 0 H LEU A 90 -4.023 -4.434 -15.202 1.00 0.90 H new ATOM 0 HA LEU A 90 -6.491 -5.806 -14.416 1.00 0.88 H new ATOM 0 HB2 LEU A 90 -4.471 -4.246 -12.823 1.00 0.93 H new ATOM 0 HB3 LEU A 90 -5.802 -5.191 -12.185 1.00 0.93 H new ATOM 0 HG LEU A 90 -3.952 -6.567 -11.896 1.00 1.39 H new ATOM 0 HD11 LEU A 90 -4.227 -8.457 -13.443 1.00 1.14 H new ATOM 0 HD12 LEU A 90 -5.790 -7.793 -12.911 1.00 1.14 H new ATOM 0 HD13 LEU A 90 -5.171 -7.418 -14.537 1.00 1.14 H new ATOM 0 HD21 LEU A 90 -2.224 -6.993 -13.594 1.00 3.21 H new ATOM 0 HD22 LEU A 90 -3.035 -5.855 -14.696 1.00 3.21 H new ATOM 0 HD23 LEU A 90 -2.336 -5.268 -13.169 1.00 3.21 H new ATOM 1371 N LYS A 91 -7.754 -3.751 -13.406 1.00 0.78 N ATOM 1372 CA LYS A 91 -8.718 -2.669 -13.300 1.00 0.78 C ATOM 1373 C LYS A 91 -9.088 -2.464 -11.829 1.00 0.78 C ATOM 1374 O LYS A 91 -8.602 -3.183 -10.957 1.00 0.77 O ATOM 1375 CB LYS A 91 -9.923 -2.934 -14.205 1.00 0.97 C ATOM 1376 CG LYS A 91 -9.719 -2.307 -15.585 1.00 1.30 C ATOM 1377 CD LYS A 91 -11.039 -2.239 -16.358 1.00 1.29 C ATOM 1378 CE LYS A 91 -11.898 -1.069 -15.873 1.00 1.85 C ATOM 1379 NZ LYS A 91 -11.473 0.190 -16.525 1.00 3.23 N ATOM 0 H LYS A 91 -7.901 -4.520 -12.752 1.00 0.78 H new ATOM 0 HA LYS A 91 -8.282 -1.735 -13.654 1.00 0.78 H new ATOM 0 HB2 LYS A 91 -10.076 -4.008 -14.308 1.00 0.97 H new ATOM 0 HB3 LYS A 91 -10.824 -2.527 -13.746 1.00 0.97 H new ATOM 0 HG2 LYS A 91 -9.306 -1.304 -15.475 1.00 1.30 H new ATOM 0 HG3 LYS A 91 -8.992 -2.891 -16.150 1.00 1.30 H new ATOM 0 HD2 LYS A 91 -10.836 -2.129 -17.423 1.00 1.29 H new ATOM 0 HD3 LYS A 91 -11.586 -3.173 -16.233 1.00 1.29 H new ATOM 0 HE2 LYS A 91 -12.947 -1.264 -16.094 1.00 1.85 H new ATOM 0 HE3 LYS A 91 -11.813 -0.972 -14.791 1.00 1.85 H new ATOM 0 HZ1 LYS A 91 -12.066 0.974 -16.185 1.00 3.23 H new ATOM 0 HZ2 LYS A 91 -10.478 0.382 -16.293 1.00 3.23 H new ATOM 0 HZ3 LYS A 91 -11.577 0.099 -17.556 1.00 3.23 H new ATOM 1393 N HIS A 92 -9.944 -1.480 -11.598 1.00 0.86 N ATOM 1394 CA HIS A 92 -10.420 -1.202 -10.254 1.00 0.89 C ATOM 1395 C HIS A 92 -11.916 -1.512 -10.164 1.00 0.93 C ATOM 1396 O HIS A 92 -12.741 -0.762 -10.684 1.00 1.16 O ATOM 1397 CB HIS A 92 -10.087 0.235 -9.847 1.00 0.88 C ATOM 1398 CG HIS A 92 -8.617 0.570 -9.925 1.00 0.96 C ATOM 1399 ND1 HIS A 92 -7.696 0.320 -10.899 1.00 1.10 N flip ATOM 1400 CD2 HIS A 92 -7.945 1.240 -8.916 1.00 2.41 C flip ATOM 1401 CE1 HIS A 92 -6.526 0.812 -10.509 1.00 0.75 C flip ATOM 1402 NE2 HIS A 92 -6.680 1.381 -9.278 1.00 1.90 N flip ATOM 0 H HIS A 92 -10.320 -0.865 -12.319 1.00 0.86 H new ATOM 0 HA HIS A 92 -9.907 -1.849 -9.542 1.00 0.89 H new ATOM 0 HB2 HIS A 92 -10.640 0.921 -10.489 1.00 0.88 H new ATOM 0 HB3 HIS A 92 -10.434 0.403 -8.827 1.00 0.88 H new ATOM 0 HD2 HIS A 92 -8.380 1.588 -7.991 1.00 2.41 H new ATOM 0 HE1 HIS A 92 -5.606 0.769 -11.072 1.00 0.75 H new ATOM 0 HE2 HIS A 92 -5.948 1.836 -8.732 1.00 1.90 H new ATOM 1410 N THR A 93 -12.219 -2.618 -9.501 1.00 0.76 N ATOM 1411 CA THR A 93 -13.591 -3.089 -9.421 1.00 0.81 C ATOM 1412 C THR A 93 -14.379 -2.267 -8.399 1.00 0.78 C ATOM 1413 O THR A 93 -15.552 -1.964 -8.611 1.00 0.85 O ATOM 1414 CB THR A 93 -13.559 -4.586 -9.103 1.00 0.81 C ATOM 1415 OG1 THR A 93 -12.577 -4.701 -8.077 1.00 0.72 O ATOM 1416 CG2 THR A 93 -12.993 -5.418 -10.256 1.00 0.94 C ATOM 0 H THR A 93 -11.538 -3.201 -9.014 1.00 0.76 H new ATOM 0 HA THR A 93 -14.111 -2.954 -10.369 1.00 0.81 H new ATOM 0 HB THR A 93 -14.567 -4.929 -8.869 1.00 0.81 H new ATOM 0 HG1 THR A 93 -12.615 -5.599 -7.687 1.00 0.72 H new ATOM 0 HG21 THR A 93 -12.993 -6.472 -9.978 1.00 0.94 H new ATOM 0 HG22 THR A 93 -13.610 -5.277 -11.144 1.00 0.94 H new ATOM 0 HG23 THR A 93 -11.973 -5.099 -10.469 1.00 0.94 H new ATOM 1424 N GLY A 94 -13.702 -1.931 -7.310 1.00 0.76 N ATOM 1425 CA GLY A 94 -14.333 -1.175 -6.241 1.00 0.77 C ATOM 1426 C GLY A 94 -13.440 -1.133 -4.999 1.00 0.65 C ATOM 1427 O GLY A 94 -12.221 -1.013 -5.111 1.00 0.62 O ATOM 0 H GLY A 94 -12.724 -2.168 -7.145 1.00 0.76 H new ATOM 0 HA2 GLY A 94 -14.538 -0.160 -6.581 1.00 0.77 H new ATOM 0 HA3 GLY A 94 -15.292 -1.627 -5.989 1.00 0.77 H new ATOM 1431 N PRO A 95 -14.098 -1.235 -3.814 1.00 0.62 N ATOM 1432 CA PRO A 95 -13.374 -1.245 -2.554 1.00 0.59 C ATOM 1433 C PRO A 95 -12.685 -2.591 -2.327 1.00 0.54 C ATOM 1434 O PRO A 95 -13.184 -3.629 -2.760 1.00 0.57 O ATOM 1435 CB PRO A 95 -14.421 -0.928 -1.497 1.00 0.62 C ATOM 1436 CG PRO A 95 -15.766 -1.211 -2.145 1.00 0.64 C ATOM 1437 CD PRO A 95 -15.544 -1.346 -3.642 1.00 0.65 C ATOM 0 HA PRO A 95 -12.566 -0.514 -2.528 1.00 0.59 H new ATOM 0 HB2 PRO A 95 -14.278 -1.543 -0.609 1.00 0.62 H new ATOM 0 HB3 PRO A 95 -14.352 0.112 -1.178 1.00 0.62 H new ATOM 0 HG2 PRO A 95 -16.200 -2.125 -1.740 1.00 0.64 H new ATOM 0 HG3 PRO A 95 -16.468 -0.404 -1.935 1.00 0.64 H new ATOM 0 HD2 PRO A 95 -15.915 -2.302 -4.013 1.00 0.65 H new ATOM 0 HD3 PRO A 95 -16.069 -0.565 -4.192 1.00 0.65 H new ATOM 1445 N GLY A 96 -11.548 -2.531 -1.650 1.00 0.54 N ATOM 1446 CA GLY A 96 -10.798 -3.736 -1.337 1.00 0.53 C ATOM 1447 C GLY A 96 -9.857 -4.109 -2.485 1.00 0.54 C ATOM 1448 O GLY A 96 -9.760 -5.277 -2.859 1.00 0.83 O ATOM 0 H GLY A 96 -11.127 -1.666 -1.309 1.00 0.54 H new ATOM 0 HA2 GLY A 96 -10.222 -3.583 -0.424 1.00 0.53 H new ATOM 0 HA3 GLY A 96 -11.487 -4.558 -1.145 1.00 0.53 H new ATOM 1452 N ILE A 97 -9.189 -3.094 -3.013 1.00 0.42 N ATOM 1453 CA ILE A 97 -8.309 -3.290 -4.154 1.00 0.43 C ATOM 1454 C ILE A 97 -6.926 -2.723 -3.827 1.00 0.44 C ATOM 1455 O ILE A 97 -6.784 -1.527 -3.577 1.00 0.55 O ATOM 1456 CB ILE A 97 -8.933 -2.698 -5.420 1.00 0.46 C ATOM 1457 CG1 ILE A 97 -10.168 -3.495 -5.845 1.00 0.84 C ATOM 1458 CG2 ILE A 97 -7.900 -2.599 -6.543 1.00 0.72 C ATOM 1459 CD1 ILE A 97 -9.768 -4.781 -6.573 1.00 0.71 C ATOM 0 H ILE A 97 -9.239 -2.134 -2.673 1.00 0.42 H new ATOM 0 HA ILE A 97 -8.179 -4.353 -4.358 1.00 0.43 H new ATOM 0 HB ILE A 97 -9.265 -1.684 -5.197 1.00 0.46 H new ATOM 0 HG12 ILE A 97 -10.766 -3.741 -4.968 1.00 0.84 H new ATOM 0 HG13 ILE A 97 -10.793 -2.884 -6.496 1.00 0.84 H new ATOM 0 HG21 ILE A 97 -8.368 -2.175 -7.432 1.00 0.72 H new ATOM 0 HG22 ILE A 97 -7.078 -1.958 -6.225 1.00 0.72 H new ATOM 0 HG23 ILE A 97 -7.517 -3.593 -6.774 1.00 0.72 H new ATOM 0 HD11 ILE A 97 -10.665 -5.328 -6.864 1.00 0.71 H new ATOM 0 HD12 ILE A 97 -9.191 -4.531 -7.463 1.00 0.71 H new ATOM 0 HD13 ILE A 97 -9.163 -5.401 -5.911 1.00 0.71 H new ATOM 1471 N LEU A 98 -5.941 -3.609 -3.840 1.00 0.53 N ATOM 1472 CA LEU A 98 -4.573 -3.211 -3.556 1.00 0.57 C ATOM 1473 C LEU A 98 -3.932 -2.658 -4.830 1.00 0.58 C ATOM 1474 O LEU A 98 -3.855 -3.354 -5.843 1.00 0.69 O ATOM 1475 CB LEU A 98 -3.796 -4.371 -2.930 1.00 0.67 C ATOM 1476 CG LEU A 98 -2.416 -4.027 -2.366 1.00 0.78 C ATOM 1477 CD1 LEU A 98 -2.535 -3.325 -1.013 1.00 1.01 C ATOM 1478 CD2 LEU A 98 -1.529 -5.271 -2.291 1.00 2.02 C ATOM 0 H LEU A 98 -6.063 -4.601 -4.043 1.00 0.53 H new ATOM 0 HA LEU A 98 -4.555 -2.410 -2.817 1.00 0.57 H new ATOM 0 HB2 LEU A 98 -4.399 -4.795 -2.127 1.00 0.67 H new ATOM 0 HB3 LEU A 98 -3.675 -5.150 -3.683 1.00 0.67 H new ATOM 0 HG LEU A 98 -1.933 -3.328 -3.049 1.00 0.78 H new ATOM 0 HD11 LEU A 98 -1.539 -3.092 -0.635 1.00 1.01 H new ATOM 0 HD12 LEU A 98 -3.104 -2.403 -1.130 1.00 1.01 H new ATOM 0 HD13 LEU A 98 -3.047 -3.979 -0.307 1.00 1.01 H new ATOM 0 HD21 LEU A 98 -0.554 -4.999 -1.887 1.00 2.02 H new ATOM 0 HD22 LEU A 98 -1.996 -6.013 -1.643 1.00 2.02 H new ATOM 0 HD23 LEU A 98 -1.404 -5.689 -3.290 1.00 2.02 H new ATOM 1490 N SER A 99 -3.488 -1.414 -4.741 1.00 0.79 N ATOM 1491 CA SER A 99 -3.012 -0.702 -5.915 1.00 0.79 C ATOM 1492 C SER A 99 -1.800 0.158 -5.550 1.00 0.66 C ATOM 1493 O SER A 99 -1.506 0.354 -4.372 1.00 0.66 O ATOM 1494 CB SER A 99 -4.118 0.167 -6.518 1.00 0.89 C ATOM 1495 OG SER A 99 -5.010 0.662 -5.523 1.00 2.07 O ATOM 0 H SER A 99 -3.448 -0.880 -3.873 1.00 0.79 H new ATOM 0 HA SER A 99 -2.716 -1.436 -6.664 1.00 0.79 H new ATOM 0 HB2 SER A 99 -3.670 1.005 -7.052 1.00 0.89 H new ATOM 0 HB3 SER A 99 -4.678 -0.415 -7.250 1.00 0.89 H new ATOM 0 HG SER A 99 -4.595 1.419 -5.059 1.00 2.07 H new ATOM 1501 N MET A 100 -1.131 0.649 -6.582 1.00 0.68 N ATOM 1502 CA MET A 100 0.138 1.333 -6.394 1.00 0.67 C ATOM 1503 C MET A 100 0.003 2.828 -6.693 1.00 0.64 C ATOM 1504 O MET A 100 -0.678 3.217 -7.641 1.00 0.88 O ATOM 1505 CB MET A 100 1.190 0.720 -7.321 1.00 0.82 C ATOM 1506 CG MET A 100 1.611 -0.667 -6.830 1.00 1.27 C ATOM 1507 SD MET A 100 2.887 -0.516 -5.591 1.00 2.33 S ATOM 1508 CE MET A 100 4.337 -0.670 -6.620 1.00 1.18 C ATOM 0 H MET A 100 -1.443 0.587 -7.551 1.00 0.68 H new ATOM 0 HA MET A 100 0.444 1.215 -5.354 1.00 0.67 H new ATOM 0 HB2 MET A 100 0.790 0.646 -8.332 1.00 0.82 H new ATOM 0 HB3 MET A 100 2.062 1.373 -7.370 1.00 0.82 H new ATOM 0 HG2 MET A 100 0.750 -1.191 -6.415 1.00 1.27 H new ATOM 0 HG3 MET A 100 1.974 -1.263 -7.667 1.00 1.27 H new ATOM 0 HE1 MET A 100 5.192 -0.224 -6.113 1.00 1.18 H new ATOM 0 HE2 MET A 100 4.538 -1.724 -6.810 1.00 1.18 H new ATOM 0 HE3 MET A 100 4.168 -0.156 -7.566 1.00 1.18 H new ATOM 1518 N ALA A 101 0.663 3.626 -5.866 1.00 0.67 N ATOM 1519 CA ALA A 101 0.624 5.069 -6.029 1.00 0.72 C ATOM 1520 C ALA A 101 1.981 5.557 -6.542 1.00 1.02 C ATOM 1521 O ALA A 101 3.010 4.941 -6.270 1.00 1.81 O ATOM 1522 CB ALA A 101 0.234 5.722 -4.701 1.00 0.97 C ATOM 0 H ALA A 101 1.228 3.300 -5.081 1.00 0.67 H new ATOM 0 HA ALA A 101 -0.128 5.352 -6.765 1.00 0.72 H new ATOM 0 HB1 ALA A 101 0.205 6.805 -4.823 1.00 0.97 H new ATOM 0 HB2 ALA A 101 -0.749 5.364 -4.395 1.00 0.97 H new ATOM 0 HB3 ALA A 101 0.968 5.462 -3.938 1.00 0.97 H new ATOM 1528 N ASN A 102 1.937 6.659 -7.276 1.00 1.06 N ATOM 1529 CA ASN A 102 3.135 7.181 -7.912 1.00 1.30 C ATOM 1530 C ASN A 102 2.927 8.660 -8.244 1.00 1.35 C ATOM 1531 O ASN A 102 1.793 9.133 -8.305 1.00 1.45 O ATOM 1532 CB ASN A 102 3.432 6.441 -9.218 1.00 1.38 C ATOM 1533 CG ASN A 102 2.164 6.276 -10.056 1.00 1.92 C ATOM 1534 OD1 ASN A 102 1.705 7.190 -10.721 1.00 3.04 O ATOM 1535 ND2 ASN A 102 1.624 5.063 -9.989 1.00 2.38 N ATOM 0 H ASN A 102 1.092 7.204 -7.444 1.00 1.06 H new ATOM 0 HA ASN A 102 3.969 7.046 -7.223 1.00 1.30 H new ATOM 0 HB2 ASN A 102 4.180 6.990 -9.789 1.00 1.38 H new ATOM 0 HB3 ASN A 102 3.856 5.461 -8.997 1.00 1.38 H new ATOM 0 HD21 ASN A 102 0.775 4.853 -10.514 1.00 2.38 H new ATOM 0 HD22 ASN A 102 2.059 4.342 -9.413 1.00 2.38 H new ATOM 1542 N ALA A 103 4.039 9.349 -8.451 1.00 1.38 N ATOM 1543 CA ALA A 103 3.992 10.757 -8.810 1.00 1.42 C ATOM 1544 C ALA A 103 4.448 10.925 -10.261 1.00 1.43 C ATOM 1545 O ALA A 103 4.950 11.983 -10.638 1.00 1.68 O ATOM 1546 CB ALA A 103 4.851 11.562 -7.832 1.00 1.58 C ATOM 0 H ALA A 103 4.979 8.959 -8.377 1.00 1.38 H new ATOM 0 HA ALA A 103 2.973 11.137 -8.739 1.00 1.42 H new ATOM 0 HB1 ALA A 103 4.816 12.618 -8.101 1.00 1.58 H new ATOM 0 HB2 ALA A 103 4.468 11.432 -6.820 1.00 1.58 H new ATOM 0 HB3 ALA A 103 5.882 11.210 -7.878 1.00 1.58 H new ATOM 1552 N GLY A 104 4.255 9.867 -11.033 1.00 1.28 N ATOM 1553 CA GLY A 104 4.715 9.854 -12.413 1.00 1.32 C ATOM 1554 C GLY A 104 5.127 8.444 -12.840 1.00 1.35 C ATOM 1555 O GLY A 104 4.919 7.483 -12.102 1.00 1.35 O ATOM 0 H GLY A 104 3.787 9.013 -10.731 1.00 1.28 H new ATOM 0 HA2 GLY A 104 3.924 10.219 -13.067 1.00 1.32 H new ATOM 0 HA3 GLY A 104 5.560 10.533 -12.525 1.00 1.32 H new ATOM 1559 N PRO A 105 5.719 8.364 -14.062 1.00 1.45 N ATOM 1560 CA PRO A 105 6.187 7.092 -14.584 1.00 1.58 C ATOM 1561 C PRO A 105 7.481 6.657 -13.891 1.00 1.71 C ATOM 1562 O PRO A 105 8.428 7.435 -13.794 1.00 1.75 O ATOM 1563 CB PRO A 105 6.361 7.319 -16.077 1.00 1.74 C ATOM 1564 CG PRO A 105 6.432 8.827 -16.264 1.00 1.71 C ATOM 1565 CD PRO A 105 5.956 9.479 -14.975 1.00 1.52 C ATOM 0 HA PRO A 105 5.487 6.278 -14.397 1.00 1.58 H new ATOM 0 HB2 PRO A 105 7.268 6.837 -16.442 1.00 1.74 H new ATOM 0 HB3 PRO A 105 5.527 6.895 -16.636 1.00 1.74 H new ATOM 0 HG2 PRO A 105 7.452 9.136 -16.494 1.00 1.71 H new ATOM 0 HG3 PRO A 105 5.808 9.138 -17.102 1.00 1.71 H new ATOM 0 HD2 PRO A 105 6.705 10.164 -14.578 1.00 1.52 H new ATOM 0 HD3 PRO A 105 5.047 10.059 -15.136 1.00 1.52 H new ATOM 1573 N ASN A 106 7.477 5.416 -13.427 1.00 1.84 N ATOM 1574 CA ASN A 106 8.693 4.803 -12.922 1.00 1.94 C ATOM 1575 C ASN A 106 9.125 5.515 -11.638 1.00 1.94 C ATOM 1576 O ASN A 106 10.304 5.815 -11.457 1.00 2.11 O ATOM 1577 CB ASN A 106 9.832 4.925 -13.936 1.00 2.15 C ATOM 1578 CG ASN A 106 10.801 3.746 -13.816 1.00 3.51 C ATOM 1579 OD1 ASN A 106 11.023 2.994 -14.751 1.00 3.80 O ATOM 1580 ND2 ASN A 106 11.362 3.627 -12.616 1.00 5.27 N ATOM 0 H ASN A 106 6.651 4.819 -13.390 1.00 1.84 H new ATOM 0 HA ASN A 106 8.486 3.749 -12.735 1.00 1.94 H new ATOM 0 HB2 ASN A 106 9.423 4.963 -14.945 1.00 2.15 H new ATOM 0 HB3 ASN A 106 10.369 5.860 -13.775 1.00 2.15 H new ATOM 0 HD21 ASN A 106 12.023 2.871 -12.435 1.00 5.27 H new ATOM 0 HD22 ASN A 106 11.132 4.292 -11.877 1.00 5.27 H new ATOM 1587 N THR A 107 8.146 5.766 -10.781 1.00 1.84 N ATOM 1588 CA THR A 107 8.428 6.287 -9.454 1.00 1.92 C ATOM 1589 C THR A 107 7.897 5.333 -8.383 1.00 1.82 C ATOM 1590 O THR A 107 8.088 5.565 -7.191 1.00 2.35 O ATOM 1591 CB THR A 107 7.835 7.694 -9.363 1.00 2.06 C ATOM 1592 OG1 THR A 107 6.439 7.471 -9.179 1.00 3.53 O ATOM 1593 CG2 THR A 107 7.919 8.453 -10.688 1.00 1.46 C ATOM 0 H THR A 107 7.157 5.618 -10.980 1.00 1.84 H new ATOM 0 HA THR A 107 9.501 6.359 -9.277 1.00 1.92 H new ATOM 0 HB THR A 107 8.356 8.257 -8.589 1.00 2.06 H new ATOM 0 HG1 THR A 107 6.241 7.410 -8.221 1.00 3.53 H new ATOM 0 HG21 THR A 107 7.484 9.445 -10.567 1.00 1.46 H new ATOM 0 HG22 THR A 107 8.963 8.548 -10.987 1.00 1.46 H new ATOM 0 HG23 THR A 107 7.370 7.907 -11.455 1.00 1.46 H new ATOM 1601 N ASN A 108 7.241 4.279 -8.847 1.00 1.50 N ATOM 1602 CA ASN A 108 6.641 3.313 -7.942 1.00 1.49 C ATOM 1603 C ASN A 108 7.687 2.267 -7.553 1.00 1.34 C ATOM 1604 O ASN A 108 8.445 1.797 -8.401 1.00 1.45 O ATOM 1605 CB ASN A 108 5.470 2.588 -8.608 1.00 1.78 C ATOM 1606 CG ASN A 108 4.164 2.849 -7.857 1.00 3.35 C ATOM 1607 OD1 ASN A 108 3.163 3.257 -8.423 1.00 4.03 O ATOM 1608 ND2 ASN A 108 4.229 2.593 -6.553 1.00 4.80 N ATOM 0 H ASN A 108 7.112 4.073 -9.838 1.00 1.50 H new ATOM 0 HA ASN A 108 6.280 3.851 -7.065 1.00 1.49 H new ATOM 0 HB2 ASN A 108 5.372 2.921 -9.641 1.00 1.78 H new ATOM 0 HB3 ASN A 108 5.670 1.517 -8.636 1.00 1.78 H new ATOM 0 HD21 ASN A 108 3.409 2.736 -5.964 1.00 4.80 H new ATOM 0 HD22 ASN A 108 5.099 2.253 -6.143 1.00 4.80 H new ATOM 1615 N GLY A 109 7.694 1.931 -6.271 1.00 1.67 N ATOM 1616 CA GLY A 109 8.526 0.842 -5.787 1.00 2.12 C ATOM 1617 C GLY A 109 8.522 0.788 -4.258 1.00 1.65 C ATOM 1618 O GLY A 109 9.554 0.532 -3.640 1.00 2.63 O ATOM 0 H GLY A 109 7.137 2.394 -5.553 1.00 1.67 H new ATOM 0 HA2 GLY A 109 8.163 -0.104 -6.189 1.00 2.12 H new ATOM 0 HA3 GLY A 109 9.547 0.971 -6.147 1.00 2.12 H new ATOM 1622 N SER A 110 7.350 1.032 -3.692 1.00 1.23 N ATOM 1623 CA SER A 110 7.213 1.082 -2.246 1.00 1.55 C ATOM 1624 C SER A 110 5.872 1.716 -1.869 1.00 1.42 C ATOM 1625 O SER A 110 5.192 1.246 -0.959 1.00 2.32 O ATOM 1626 CB SER A 110 8.366 1.860 -1.610 1.00 2.16 C ATOM 1627 OG SER A 110 8.787 2.951 -2.425 1.00 3.37 O ATOM 0 H SER A 110 6.486 1.197 -4.208 1.00 1.23 H new ATOM 0 HA SER A 110 7.245 0.062 -1.864 1.00 1.55 H new ATOM 0 HB2 SER A 110 8.056 2.235 -0.634 1.00 2.16 H new ATOM 0 HB3 SER A 110 9.207 1.188 -1.441 1.00 2.16 H new ATOM 0 HG SER A 110 9.564 3.385 -2.015 1.00 3.37 H new ATOM 1633 N GLN A 111 5.532 2.777 -2.589 1.00 1.21 N ATOM 1634 CA GLN A 111 4.341 3.545 -2.272 1.00 1.48 C ATOM 1635 C GLN A 111 3.095 2.837 -2.809 1.00 1.34 C ATOM 1636 O GLN A 111 2.743 2.992 -3.977 1.00 1.85 O ATOM 1637 CB GLN A 111 4.443 4.968 -2.825 1.00 1.80 C ATOM 1638 CG GLN A 111 5.846 5.539 -2.614 1.00 2.52 C ATOM 1639 CD GLN A 111 6.365 5.212 -1.211 1.00 2.97 C ATOM 1640 OE1 GLN A 111 5.539 5.568 -0.233 1.00 3.99 O flip ATOM 1641 NE2 GLN A 111 7.445 4.674 -1.031 1.00 3.87 N flip ATOM 0 H GLN A 111 6.061 3.121 -3.390 1.00 1.21 H new ATOM 0 HA GLN A 111 4.256 3.617 -1.188 1.00 1.48 H new ATOM 0 HB2 GLN A 111 4.203 4.967 -3.888 1.00 1.80 H new ATOM 0 HB3 GLN A 111 3.709 5.606 -2.333 1.00 1.80 H new ATOM 0 HG2 GLN A 111 6.525 5.130 -3.362 1.00 2.52 H new ATOM 0 HG3 GLN A 111 5.828 6.619 -2.757 1.00 2.52 H new ATOM 0 HE21 GLN A 111 8.031 4.427 -1.829 1.00 3.87 H new ATOM 0 HE22 GLN A 111 7.762 4.471 -0.083 1.00 3.87 H new ATOM 1650 N PHE A 112 2.461 2.075 -1.929 1.00 0.98 N ATOM 1651 CA PHE A 112 1.199 1.437 -2.263 1.00 0.84 C ATOM 1652 C PHE A 112 0.052 2.031 -1.442 1.00 0.80 C ATOM 1653 O PHE A 112 0.286 2.751 -0.472 1.00 1.06 O ATOM 1654 CB PHE A 112 1.342 -0.047 -1.918 1.00 1.05 C ATOM 1655 CG PHE A 112 1.919 -0.309 -0.526 1.00 1.37 C ATOM 1656 CD1 PHE A 112 1.142 -0.136 0.576 1.00 2.19 C ATOM 1657 CD2 PHE A 112 3.210 -0.716 -0.391 1.00 2.22 C ATOM 1658 CE1 PHE A 112 1.678 -0.381 1.869 1.00 2.68 C ATOM 1659 CE2 PHE A 112 3.747 -0.960 0.901 1.00 2.58 C ATOM 1660 CZ PHE A 112 2.969 -0.787 2.003 1.00 2.42 C ATOM 0 H PHE A 112 2.798 1.885 -0.985 1.00 0.98 H new ATOM 0 HA PHE A 112 0.973 1.589 -3.318 1.00 0.84 H new ATOM 0 HB2 PHE A 112 0.364 -0.522 -1.990 1.00 1.05 H new ATOM 0 HB3 PHE A 112 1.983 -0.522 -2.661 1.00 1.05 H new ATOM 0 HD1 PHE A 112 0.117 0.188 0.469 1.00 2.19 H new ATOM 0 HD2 PHE A 112 3.827 -0.854 -1.267 1.00 2.22 H new ATOM 0 HE1 PHE A 112 1.061 -0.245 2.745 1.00 2.68 H new ATOM 0 HE2 PHE A 112 4.772 -1.283 1.008 1.00 2.58 H new ATOM 0 HZ PHE A 112 3.377 -0.972 2.986 1.00 2.42 H new ATOM 1670 N PHE A 113 -1.162 1.707 -1.860 1.00 0.71 N ATOM 1671 CA PHE A 113 -2.345 2.159 -1.149 1.00 0.87 C ATOM 1672 C PHE A 113 -3.510 1.186 -1.345 1.00 0.90 C ATOM 1673 O PHE A 113 -3.633 0.566 -2.400 1.00 1.61 O ATOM 1674 CB PHE A 113 -2.728 3.519 -1.736 1.00 1.13 C ATOM 1675 CG PHE A 113 -3.415 3.436 -3.101 1.00 2.13 C ATOM 1676 CD1 PHE A 113 -2.669 3.407 -4.237 1.00 3.44 C ATOM 1677 CD2 PHE A 113 -4.773 3.390 -3.177 1.00 3.64 C ATOM 1678 CE1 PHE A 113 -3.306 3.331 -5.504 1.00 5.09 C ATOM 1679 CE2 PHE A 113 -5.410 3.313 -4.443 1.00 5.32 C ATOM 1680 CZ PHE A 113 -4.664 3.285 -5.580 1.00 5.75 C ATOM 0 H PHE A 113 -1.352 1.136 -2.683 1.00 0.71 H new ATOM 0 HA PHE A 113 -2.135 2.221 -0.081 1.00 0.87 H new ATOM 0 HB2 PHE A 113 -3.390 4.031 -1.038 1.00 1.13 H new ATOM 0 HB3 PHE A 113 -1.830 4.129 -1.829 1.00 1.13 H new ATOM 0 HD1 PHE A 113 -1.591 3.442 -4.176 1.00 3.44 H new ATOM 0 HD2 PHE A 113 -5.366 3.412 -2.274 1.00 3.64 H new ATOM 0 HE1 PHE A 113 -2.713 3.310 -6.407 1.00 5.09 H new ATOM 0 HE2 PHE A 113 -6.488 3.277 -4.504 1.00 5.32 H new ATOM 0 HZ PHE A 113 -5.149 3.226 -6.543 1.00 5.75 H new ATOM 1690 N ILE A 114 -4.332 1.080 -0.311 1.00 0.76 N ATOM 1691 CA ILE A 114 -5.508 0.230 -0.374 1.00 0.69 C ATOM 1692 C ILE A 114 -6.726 1.078 -0.747 1.00 0.65 C ATOM 1693 O ILE A 114 -7.086 2.005 -0.024 1.00 0.97 O ATOM 1694 CB ILE A 114 -5.677 -0.549 0.932 1.00 0.75 C ATOM 1695 CG1 ILE A 114 -4.417 -1.356 1.255 1.00 0.89 C ATOM 1696 CG2 ILE A 114 -6.927 -1.430 0.888 1.00 0.82 C ATOM 1697 CD1 ILE A 114 -3.943 -1.085 2.685 1.00 0.91 C ATOM 0 H ILE A 114 -4.206 1.569 0.575 1.00 0.76 H new ATOM 0 HA ILE A 114 -5.393 -0.523 -1.154 1.00 0.69 H new ATOM 0 HB ILE A 114 -5.818 0.167 1.742 1.00 0.75 H new ATOM 0 HG12 ILE A 114 -4.620 -2.420 1.131 1.00 0.89 H new ATOM 0 HG13 ILE A 114 -3.626 -1.099 0.551 1.00 0.89 H new ATOM 0 HG21 ILE A 114 -7.023 -1.973 1.829 1.00 0.82 H new ATOM 0 HG22 ILE A 114 -7.807 -0.805 0.738 1.00 0.82 H new ATOM 0 HG23 ILE A 114 -6.842 -2.141 0.066 1.00 0.82 H new ATOM 0 HD11 ILE A 114 -3.047 -1.671 2.888 1.00 0.91 H new ATOM 0 HD12 ILE A 114 -3.717 -0.025 2.799 1.00 0.91 H new ATOM 0 HD13 ILE A 114 -4.727 -1.366 3.388 1.00 0.91 H new ATOM 1709 N CYS A 115 -7.328 0.727 -1.874 1.00 0.57 N ATOM 1710 CA CYS A 115 -8.506 1.437 -2.345 1.00 0.58 C ATOM 1711 C CYS A 115 -9.728 0.876 -1.616 1.00 0.61 C ATOM 1712 O CYS A 115 -10.072 -0.293 -1.780 1.00 0.81 O ATOM 1713 CB CYS A 115 -8.654 1.340 -3.865 1.00 0.70 C ATOM 1714 SG CYS A 115 -9.581 2.785 -4.496 1.00 1.88 S ATOM 0 H CYS A 115 -7.023 -0.039 -2.474 1.00 0.57 H new ATOM 0 HA CYS A 115 -8.407 2.499 -2.122 1.00 0.58 H new ATOM 0 HB2 CYS A 115 -7.670 1.296 -4.332 1.00 0.70 H new ATOM 0 HB3 CYS A 115 -9.174 0.420 -4.130 1.00 0.70 H new ATOM 0 HG CYS A 115 -10.849 2.503 -4.536 1.00 1.88 H new ATOM 1720 N THR A 116 -10.350 1.737 -0.824 1.00 0.54 N ATOM 1721 CA THR A 116 -11.509 1.335 -0.045 1.00 0.59 C ATOM 1722 C THR A 116 -12.784 1.946 -0.631 1.00 0.56 C ATOM 1723 O THR A 116 -13.732 2.234 0.098 1.00 0.63 O ATOM 1724 CB THR A 116 -11.261 1.729 1.412 1.00 0.69 C ATOM 1725 OG1 THR A 116 -9.856 1.562 1.582 1.00 1.29 O ATOM 1726 CG2 THR A 116 -11.877 0.737 2.401 1.00 1.23 C ATOM 0 H THR A 116 -10.073 2.711 -0.705 1.00 0.54 H new ATOM 0 HA THR A 116 -11.655 0.256 -0.084 1.00 0.59 H new ATOM 0 HB THR A 116 -11.670 2.723 1.594 1.00 0.69 H new ATOM 0 HG1 THR A 116 -9.586 1.927 2.451 1.00 1.29 H new ATOM 0 HG21 THR A 116 -11.671 1.064 3.420 1.00 1.23 H new ATOM 0 HG22 THR A 116 -12.955 0.690 2.245 1.00 1.23 H new ATOM 0 HG23 THR A 116 -11.444 -0.251 2.243 1.00 1.23 H new ATOM 1734 N ALA A 117 -12.766 2.127 -1.944 1.00 0.56 N ATOM 1735 CA ALA A 117 -13.931 2.638 -2.646 1.00 0.60 C ATOM 1736 C ALA A 117 -13.716 2.497 -4.154 1.00 0.67 C ATOM 1737 O ALA A 117 -12.627 2.140 -4.598 1.00 0.68 O ATOM 1738 CB ALA A 117 -14.184 4.087 -2.225 1.00 0.68 C ATOM 0 H ALA A 117 -11.962 1.929 -2.540 1.00 0.56 H new ATOM 0 HA ALA A 117 -14.819 2.063 -2.386 1.00 0.60 H new ATOM 0 HB1 ALA A 117 -15.058 4.471 -2.751 1.00 0.68 H new ATOM 0 HB2 ALA A 117 -14.360 4.128 -1.150 1.00 0.68 H new ATOM 0 HB3 ALA A 117 -13.314 4.695 -2.473 1.00 0.68 H new ATOM 1744 N LYS A 118 -14.774 2.785 -4.899 1.00 0.79 N ATOM 1745 CA LYS A 118 -14.725 2.661 -6.346 1.00 0.93 C ATOM 1746 C LYS A 118 -14.168 3.954 -6.945 1.00 0.90 C ATOM 1747 O LYS A 118 -14.902 4.924 -7.129 1.00 1.38 O ATOM 1748 CB LYS A 118 -16.097 2.269 -6.897 1.00 1.35 C ATOM 1749 CG LYS A 118 -16.004 1.884 -8.375 1.00 1.65 C ATOM 1750 CD LYS A 118 -17.190 1.009 -8.788 1.00 2.30 C ATOM 1751 CE LYS A 118 -17.173 0.739 -10.294 1.00 2.85 C ATOM 1752 NZ LYS A 118 -15.986 -0.065 -10.663 1.00 4.08 N ATOM 0 H LYS A 118 -15.669 3.103 -4.528 1.00 0.79 H new ATOM 0 HA LYS A 118 -14.049 1.857 -6.637 1.00 0.93 H new ATOM 0 HB2 LYS A 118 -16.498 1.433 -6.324 1.00 1.35 H new ATOM 0 HB3 LYS A 118 -16.792 3.100 -6.777 1.00 1.35 H new ATOM 0 HG2 LYS A 118 -15.981 2.785 -8.989 1.00 1.65 H new ATOM 0 HG3 LYS A 118 -15.072 1.349 -8.558 1.00 1.65 H new ATOM 0 HD2 LYS A 118 -17.156 0.064 -8.245 1.00 2.30 H new ATOM 0 HD3 LYS A 118 -18.123 1.501 -8.514 1.00 2.30 H new ATOM 0 HE2 LYS A 118 -18.082 0.212 -10.585 1.00 2.85 H new ATOM 0 HE3 LYS A 118 -17.164 1.683 -10.839 1.00 2.85 H new ATOM 0 HZ1 LYS A 118 -16.203 -0.640 -11.502 1.00 4.08 H new ATOM 0 HZ2 LYS A 118 -15.189 0.569 -10.875 1.00 4.08 H new ATOM 0 HZ3 LYS A 118 -15.730 -0.690 -9.872 1.00 4.08 H new ATOM 1766 N THR A 119 -12.875 3.927 -7.233 1.00 0.63 N ATOM 1767 CA THR A 119 -12.210 5.085 -7.807 1.00 0.71 C ATOM 1768 C THR A 119 -11.852 4.824 -9.271 1.00 0.67 C ATOM 1769 O THR A 119 -10.727 4.433 -9.578 1.00 0.65 O ATOM 1770 CB THR A 119 -10.998 5.415 -6.934 1.00 0.83 C ATOM 1771 OG1 THR A 119 -10.170 4.260 -7.039 1.00 0.96 O ATOM 1772 CG2 THR A 119 -11.349 5.489 -5.447 1.00 0.87 C ATOM 0 H THR A 119 -12.269 3.121 -7.079 1.00 0.63 H new ATOM 0 HA THR A 119 -12.868 5.954 -7.817 1.00 0.71 H new ATOM 0 HB THR A 119 -10.570 6.365 -7.253 1.00 0.83 H new ATOM 0 HG1 THR A 119 -10.345 3.662 -6.283 1.00 0.96 H new ATOM 0 HG21 THR A 119 -10.453 5.726 -4.873 1.00 0.87 H new ATOM 0 HG22 THR A 119 -12.098 6.265 -5.288 1.00 0.87 H new ATOM 0 HG23 THR A 119 -11.747 4.529 -5.119 1.00 0.87 H new ATOM 1780 N GLU A 120 -12.831 5.048 -10.135 1.00 0.82 N ATOM 1781 CA GLU A 120 -12.673 4.728 -11.544 1.00 0.84 C ATOM 1782 C GLU A 120 -11.844 5.808 -12.244 1.00 0.78 C ATOM 1783 O GLU A 120 -11.465 5.650 -13.403 1.00 0.78 O ATOM 1784 CB GLU A 120 -14.033 4.556 -12.223 1.00 1.12 C ATOM 1785 CG GLU A 120 -14.815 3.399 -11.597 1.00 2.81 C ATOM 1786 CD GLU A 120 -15.060 2.287 -12.620 1.00 3.75 C ATOM 1787 OE1 GLU A 120 -15.692 2.595 -13.653 1.00 3.96 O ATOM 1788 OE2 GLU A 120 -14.609 1.154 -12.344 1.00 5.07 O ATOM 0 H GLU A 120 -13.736 5.447 -9.887 1.00 0.82 H new ATOM 0 HA GLU A 120 -12.141 3.780 -11.624 1.00 0.84 H new ATOM 0 HB2 GLU A 120 -14.607 5.478 -12.134 1.00 1.12 H new ATOM 0 HB3 GLU A 120 -13.891 4.370 -13.288 1.00 1.12 H new ATOM 0 HG2 GLU A 120 -14.263 3.000 -10.746 1.00 2.81 H new ATOM 0 HG3 GLU A 120 -15.769 3.764 -11.215 1.00 2.81 H new ATOM 1795 N TRP A 121 -11.587 6.880 -11.509 1.00 0.82 N ATOM 1796 CA TRP A 121 -10.828 7.994 -12.051 1.00 0.85 C ATOM 1797 C TRP A 121 -9.345 7.730 -11.783 1.00 0.77 C ATOM 1798 O TRP A 121 -8.484 8.476 -12.248 1.00 0.85 O ATOM 1799 CB TRP A 121 -11.313 9.323 -11.469 1.00 0.98 C ATOM 1800 CG TRP A 121 -10.862 9.573 -10.028 1.00 0.95 C ATOM 1801 CD1 TRP A 121 -9.711 10.114 -9.606 1.00 0.94 C ATOM 1802 CD2 TRP A 121 -11.605 9.267 -8.829 1.00 0.97 C ATOM 1803 NE1 TRP A 121 -9.659 10.179 -8.228 1.00 0.96 N ATOM 1804 CE2 TRP A 121 -10.847 9.648 -7.741 1.00 0.97 C ATOM 1805 CE3 TRP A 121 -12.877 8.688 -8.670 1.00 1.03 C ATOM 1806 CZ2 TRP A 121 -11.274 9.491 -6.417 1.00 1.02 C ATOM 1807 CZ3 TRP A 121 -13.288 8.538 -7.340 1.00 1.07 C ATOM 1808 CH2 TRP A 121 -12.536 8.916 -6.234 1.00 1.06 C ATOM 0 H TRP A 121 -11.891 7.001 -10.543 1.00 0.82 H new ATOM 0 HA TRP A 121 -10.979 8.076 -13.127 1.00 0.85 H new ATOM 0 HB2 TRP A 121 -10.952 10.137 -12.098 1.00 0.98 H new ATOM 0 HB3 TRP A 121 -12.402 9.349 -11.508 1.00 0.98 H new ATOM 0 HD1 TRP A 121 -8.923 10.456 -10.261 1.00 0.94 H new ATOM 0 HE1 TRP A 121 -8.890 10.549 -7.670 1.00 0.96 H new ATOM 0 HE3 TRP A 121 -13.488 8.383 -9.507 1.00 1.03 H new ATOM 0 HZ2 TRP A 121 -10.662 9.797 -5.582 1.00 1.02 H new ATOM 0 HZ3 TRP A 121 -14.258 8.098 -7.161 1.00 1.07 H new ATOM 0 HH2 TRP A 121 -12.924 8.766 -5.237 1.00 1.06 H new ATOM 1819 N LEU A 122 -9.091 6.666 -11.034 1.00 0.67 N ATOM 1820 CA LEU A 122 -7.727 6.240 -10.777 1.00 0.65 C ATOM 1821 C LEU A 122 -7.454 4.936 -11.530 1.00 0.65 C ATOM 1822 O LEU A 122 -6.315 4.476 -11.588 1.00 0.77 O ATOM 1823 CB LEU A 122 -7.469 6.147 -9.273 1.00 0.66 C ATOM 1824 CG LEU A 122 -7.694 7.432 -8.473 1.00 0.73 C ATOM 1825 CD1 LEU A 122 -7.580 7.170 -6.969 1.00 0.79 C ATOM 1826 CD2 LEU A 122 -6.742 8.538 -8.934 1.00 0.79 C ATOM 0 H LEU A 122 -9.808 6.087 -10.597 1.00 0.67 H new ATOM 0 HA LEU A 122 -7.020 6.980 -11.153 1.00 0.65 H new ATOM 0 HB2 LEU A 122 -8.112 5.369 -8.862 1.00 0.66 H new ATOM 0 HB3 LEU A 122 -6.439 5.823 -9.120 1.00 0.66 H new ATOM 0 HG LEU A 122 -8.710 7.779 -8.664 1.00 0.73 H new ATOM 0 HD11 LEU A 122 -7.744 8.100 -6.424 1.00 0.79 H new ATOM 0 HD12 LEU A 122 -8.329 6.437 -6.670 1.00 0.79 H new ATOM 0 HD13 LEU A 122 -6.586 6.787 -6.741 1.00 0.79 H new ATOM 0 HD21 LEU A 122 -6.922 9.440 -8.350 1.00 0.79 H new ATOM 0 HD22 LEU A 122 -5.711 8.214 -8.792 1.00 0.79 H new ATOM 0 HD23 LEU A 122 -6.913 8.749 -9.990 1.00 0.79 H new ATOM 1838 N ASP A 123 -8.519 4.377 -12.086 1.00 0.70 N ATOM 1839 CA ASP A 123 -8.435 3.071 -12.717 1.00 0.76 C ATOM 1840 C ASP A 123 -7.398 3.118 -13.841 1.00 0.93 C ATOM 1841 O ASP A 123 -6.646 2.166 -14.036 1.00 2.09 O ATOM 1842 CB ASP A 123 -9.778 2.668 -13.329 1.00 0.79 C ATOM 1843 CG ASP A 123 -9.743 1.404 -14.191 1.00 0.81 C ATOM 1844 OD1 ASP A 123 -9.896 0.312 -13.602 1.00 1.78 O ATOM 1845 OD2 ASP A 123 -9.563 1.559 -15.418 1.00 1.67 O ATOM 0 H ASP A 123 -9.445 4.805 -12.113 1.00 0.70 H new ATOM 0 HA ASP A 123 -8.154 2.345 -11.954 1.00 0.76 H new ATOM 0 HB2 ASP A 123 -10.497 2.520 -12.524 1.00 0.79 H new ATOM 0 HB3 ASP A 123 -10.146 3.494 -13.937 1.00 0.79 H new ATOM 1850 N GLY A 124 -7.392 4.236 -14.551 1.00 1.39 N ATOM 1851 CA GLY A 124 -6.496 4.400 -15.683 1.00 1.53 C ATOM 1852 C GLY A 124 -5.278 5.241 -15.300 1.00 1.58 C ATOM 1853 O GLY A 124 -4.769 6.011 -16.115 1.00 2.13 O ATOM 0 H GLY A 124 -7.994 5.038 -14.364 1.00 1.39 H new ATOM 0 HA2 GLY A 124 -6.170 3.422 -16.038 1.00 1.53 H new ATOM 0 HA3 GLY A 124 -7.028 4.877 -16.506 1.00 1.53 H new ATOM 1857 N LYS A 125 -4.842 5.066 -14.061 1.00 1.26 N ATOM 1858 CA LYS A 125 -3.704 5.813 -13.555 1.00 1.30 C ATOM 1859 C LYS A 125 -2.818 4.882 -12.724 1.00 1.12 C ATOM 1860 O LYS A 125 -1.623 4.756 -12.989 1.00 1.23 O ATOM 1861 CB LYS A 125 -4.173 7.056 -12.797 1.00 1.44 C ATOM 1862 CG LYS A 125 -4.936 8.007 -13.720 1.00 2.41 C ATOM 1863 CD LYS A 125 -5.225 9.336 -13.021 1.00 3.68 C ATOM 1864 CE LYS A 125 -5.919 10.316 -13.970 1.00 4.54 C ATOM 1865 NZ LYS A 125 -7.292 9.855 -14.277 1.00 6.09 N ATOM 0 H LYS A 125 -5.257 4.417 -13.392 1.00 1.26 H new ATOM 0 HA LYS A 125 -3.094 6.183 -14.379 1.00 1.30 H new ATOM 0 HB2 LYS A 125 -4.813 6.759 -11.966 1.00 1.44 H new ATOM 0 HB3 LYS A 125 -3.313 7.571 -12.369 1.00 1.44 H new ATOM 0 HG2 LYS A 125 -4.354 8.187 -14.624 1.00 2.41 H new ATOM 0 HG3 LYS A 125 -5.873 7.544 -14.031 1.00 2.41 H new ATOM 0 HD2 LYS A 125 -5.854 9.162 -12.148 1.00 3.68 H new ATOM 0 HD3 LYS A 125 -4.293 9.772 -12.661 1.00 3.68 H new ATOM 0 HE2 LYS A 125 -5.954 11.307 -13.517 1.00 4.54 H new ATOM 0 HE3 LYS A 125 -5.345 10.407 -14.892 1.00 4.54 H new ATOM 0 HZ1 LYS A 125 -7.828 10.629 -14.719 1.00 6.09 H new ATOM 0 HZ2 LYS A 125 -7.249 9.047 -14.930 1.00 6.09 H new ATOM 0 HZ3 LYS A 125 -7.765 9.564 -13.398 1.00 6.09 H new ATOM 1879 N HIS A 126 -3.438 4.256 -11.735 1.00 1.02 N ATOM 1880 CA HIS A 126 -2.698 3.445 -10.783 1.00 0.91 C ATOM 1881 C HIS A 126 -2.650 1.996 -11.269 1.00 0.90 C ATOM 1882 O HIS A 126 -3.441 1.598 -12.124 1.00 1.70 O ATOM 1883 CB HIS A 126 -3.291 3.580 -9.379 1.00 0.96 C ATOM 1884 CG HIS A 126 -3.138 4.956 -8.776 1.00 1.14 C ATOM 1885 ND1 HIS A 126 -2.041 5.763 -9.021 1.00 0.90 N ATOM 1886 CD2 HIS A 126 -3.954 5.659 -7.940 1.00 2.27 C ATOM 1887 CE1 HIS A 126 -2.200 6.898 -8.357 1.00 0.96 C ATOM 1888 NE2 HIS A 126 -3.386 6.831 -7.686 1.00 2.01 N ATOM 0 H HIS A 126 -4.444 4.294 -11.572 1.00 1.02 H new ATOM 0 HA HIS A 126 -1.670 3.803 -10.717 1.00 0.91 H new ATOM 0 HB2 HIS A 126 -4.351 3.328 -9.418 1.00 0.96 H new ATOM 0 HB3 HIS A 126 -2.814 2.852 -8.723 1.00 0.96 H new ATOM 0 HD1 HIS A 126 -1.245 5.524 -9.613 1.00 0.90 H new ATOM 0 HD2 HIS A 126 -4.902 5.319 -7.550 1.00 2.27 H new ATOM 0 HE1 HIS A 126 -1.512 7.730 -8.348 1.00 0.96 H new ATOM 1896 N VAL A 127 -1.715 1.246 -10.705 1.00 0.73 N ATOM 1897 CA VAL A 127 -1.576 -0.160 -11.047 1.00 0.63 C ATOM 1898 C VAL A 127 -2.216 -1.013 -9.950 1.00 0.60 C ATOM 1899 O VAL A 127 -2.170 -0.654 -8.774 1.00 0.84 O ATOM 1900 CB VAL A 127 -0.103 -0.498 -11.284 1.00 0.69 C ATOM 1901 CG1 VAL A 127 0.097 -2.008 -11.433 1.00 0.73 C ATOM 1902 CG2 VAL A 127 0.442 0.250 -12.501 1.00 0.81 C ATOM 0 H VAL A 127 -1.046 1.585 -10.014 1.00 0.73 H new ATOM 0 HA VAL A 127 -2.100 -0.380 -11.977 1.00 0.63 H new ATOM 0 HB VAL A 127 0.460 -0.171 -10.410 1.00 0.69 H new ATOM 0 HG11 VAL A 127 1.153 -2.220 -11.601 1.00 0.73 H new ATOM 0 HG12 VAL A 127 -0.234 -2.510 -10.524 1.00 0.73 H new ATOM 0 HG13 VAL A 127 -0.485 -2.370 -12.281 1.00 0.73 H new ATOM 0 HG21 VAL A 127 1.491 -0.008 -12.647 1.00 0.81 H new ATOM 0 HG22 VAL A 127 -0.128 -0.032 -13.386 1.00 0.81 H new ATOM 0 HG23 VAL A 127 0.352 1.324 -12.338 1.00 0.81 H new ATOM 1912 N VAL A 128 -2.798 -2.125 -10.373 1.00 0.44 N ATOM 1913 CA VAL A 128 -3.369 -3.075 -9.433 1.00 0.45 C ATOM 1914 C VAL A 128 -2.587 -4.388 -9.503 1.00 0.50 C ATOM 1915 O VAL A 128 -2.409 -4.952 -10.581 1.00 0.64 O ATOM 1916 CB VAL A 128 -4.863 -3.254 -9.712 1.00 0.54 C ATOM 1917 CG1 VAL A 128 -5.550 -3.997 -8.565 1.00 0.62 C ATOM 1918 CG2 VAL A 128 -5.537 -1.905 -9.974 1.00 0.65 C ATOM 0 H VAL A 128 -2.887 -2.390 -11.354 1.00 0.44 H new ATOM 0 HA VAL A 128 -3.285 -2.700 -8.413 1.00 0.45 H new ATOM 0 HB VAL A 128 -4.966 -3.860 -10.612 1.00 0.54 H new ATOM 0 HG11 VAL A 128 -6.611 -4.111 -8.789 1.00 0.62 H new ATOM 0 HG12 VAL A 128 -5.097 -4.981 -8.446 1.00 0.62 H new ATOM 0 HG13 VAL A 128 -5.433 -3.429 -7.642 1.00 0.62 H new ATOM 0 HG21 VAL A 128 -6.598 -2.060 -10.169 1.00 0.65 H new ATOM 0 HG22 VAL A 128 -5.419 -1.264 -9.101 1.00 0.65 H new ATOM 0 HG23 VAL A 128 -5.075 -1.429 -10.839 1.00 0.65 H new ATOM 1928 N PHE A 129 -2.142 -4.837 -8.338 1.00 0.58 N ATOM 1929 CA PHE A 129 -1.248 -5.981 -8.270 1.00 0.70 C ATOM 1930 C PHE A 129 -1.615 -6.894 -7.099 1.00 0.68 C ATOM 1931 O PHE A 129 -0.831 -7.760 -6.713 1.00 0.86 O ATOM 1932 CB PHE A 129 0.164 -5.433 -8.051 1.00 0.94 C ATOM 1933 CG PHE A 129 0.418 -4.915 -6.634 1.00 1.69 C ATOM 1934 CD1 PHE A 129 -0.084 -3.710 -6.251 1.00 2.76 C ATOM 1935 CD2 PHE A 129 1.145 -5.659 -5.759 1.00 2.63 C ATOM 1936 CE1 PHE A 129 0.152 -3.230 -4.935 1.00 3.64 C ATOM 1937 CE2 PHE A 129 1.381 -5.177 -4.444 1.00 3.48 C ATOM 1938 CZ PHE A 129 0.879 -3.973 -4.060 1.00 3.66 C ATOM 0 H PHE A 129 -2.384 -4.430 -7.435 1.00 0.58 H new ATOM 0 HA PHE A 129 -1.320 -6.565 -9.188 1.00 0.70 H new ATOM 0 HB2 PHE A 129 0.886 -6.218 -8.275 1.00 0.94 H new ATOM 0 HB3 PHE A 129 0.343 -4.624 -8.760 1.00 0.94 H new ATOM 0 HD1 PHE A 129 -0.661 -3.119 -6.947 1.00 2.76 H new ATOM 0 HD2 PHE A 129 1.543 -6.616 -6.063 1.00 2.63 H new ATOM 0 HE1 PHE A 129 -0.247 -2.274 -4.630 1.00 3.64 H new ATOM 0 HE2 PHE A 129 1.960 -5.767 -3.749 1.00 3.48 H new ATOM 0 HZ PHE A 129 1.058 -3.607 -3.060 1.00 3.66 H new ATOM 1948 N GLY A 130 -2.807 -6.668 -6.566 1.00 0.58 N ATOM 1949 CA GLY A 130 -3.277 -7.445 -5.431 1.00 0.63 C ATOM 1950 C GLY A 130 -4.742 -7.128 -5.119 1.00 0.59 C ATOM 1951 O GLY A 130 -5.372 -6.338 -5.820 1.00 0.74 O ATOM 0 H GLY A 130 -3.461 -5.959 -6.898 1.00 0.58 H new ATOM 0 HA2 GLY A 130 -3.169 -8.509 -5.644 1.00 0.63 H new ATOM 0 HA3 GLY A 130 -2.661 -7.230 -4.558 1.00 0.63 H new ATOM 1955 N LYS A 131 -5.240 -7.761 -4.067 1.00 0.53 N ATOM 1956 CA LYS A 131 -6.635 -7.607 -3.694 1.00 0.60 C ATOM 1957 C LYS A 131 -6.792 -7.881 -2.196 1.00 0.54 C ATOM 1958 O LYS A 131 -6.160 -8.789 -1.659 1.00 0.71 O ATOM 1959 CB LYS A 131 -7.527 -8.485 -4.575 1.00 0.84 C ATOM 1960 CG LYS A 131 -9.000 -8.328 -4.192 1.00 1.28 C ATOM 1961 CD LYS A 131 -9.611 -9.677 -3.806 1.00 1.69 C ATOM 1962 CE LYS A 131 -9.958 -10.498 -5.051 1.00 2.16 C ATOM 1963 NZ LYS A 131 -9.161 -11.743 -5.089 1.00 3.23 N ATOM 0 H LYS A 131 -4.702 -8.381 -3.462 1.00 0.53 H new ATOM 0 HA LYS A 131 -6.963 -6.582 -3.868 1.00 0.60 H new ATOM 0 HB2 LYS A 131 -7.389 -8.215 -5.622 1.00 0.84 H new ATOM 0 HB3 LYS A 131 -7.230 -9.529 -4.473 1.00 0.84 H new ATOM 0 HG2 LYS A 131 -9.091 -7.631 -3.359 1.00 1.28 H new ATOM 0 HG3 LYS A 131 -9.553 -7.899 -5.028 1.00 1.28 H new ATOM 0 HD2 LYS A 131 -8.910 -10.233 -3.183 1.00 1.69 H new ATOM 0 HD3 LYS A 131 -10.509 -9.516 -3.210 1.00 1.69 H new ATOM 0 HE2 LYS A 131 -11.021 -10.740 -5.050 1.00 2.16 H new ATOM 0 HE3 LYS A 131 -9.766 -9.909 -5.948 1.00 2.16 H new ATOM 0 HZ1 LYS A 131 -9.604 -12.419 -5.743 1.00 3.23 H new ATOM 0 HZ2 LYS A 131 -8.197 -11.528 -5.414 1.00 3.23 H new ATOM 0 HZ3 LYS A 131 -9.121 -12.159 -4.136 1.00 3.23 H new ATOM 1977 N VAL A 132 -7.636 -7.079 -1.565 1.00 0.49 N ATOM 1978 CA VAL A 132 -7.898 -7.237 -0.145 1.00 0.54 C ATOM 1979 C VAL A 132 -8.681 -8.532 0.084 1.00 0.55 C ATOM 1980 O VAL A 132 -9.779 -8.699 -0.446 1.00 0.74 O ATOM 1981 CB VAL A 132 -8.617 -6.000 0.396 1.00 0.74 C ATOM 1982 CG1 VAL A 132 -9.037 -6.203 1.854 1.00 0.97 C ATOM 1983 CG2 VAL A 132 -7.749 -4.750 0.244 1.00 0.83 C ATOM 0 H VAL A 132 -8.147 -6.318 -2.011 1.00 0.49 H new ATOM 0 HA VAL A 132 -6.963 -7.320 0.409 1.00 0.54 H new ATOM 0 HB VAL A 132 -9.521 -5.853 -0.195 1.00 0.74 H new ATOM 0 HG11 VAL A 132 -9.546 -5.309 2.214 1.00 0.97 H new ATOM 0 HG12 VAL A 132 -9.711 -7.057 1.923 1.00 0.97 H new ATOM 0 HG13 VAL A 132 -8.153 -6.388 2.465 1.00 0.97 H new ATOM 0 HG21 VAL A 132 -8.284 -3.885 0.636 1.00 0.83 H new ATOM 0 HG22 VAL A 132 -6.819 -4.883 0.797 1.00 0.83 H new ATOM 0 HG23 VAL A 132 -7.524 -4.589 -0.810 1.00 0.83 H new ATOM 1993 N LYS A 133 -8.086 -9.414 0.872 1.00 0.66 N ATOM 1994 CA LYS A 133 -8.710 -10.694 1.167 1.00 0.78 C ATOM 1995 C LYS A 133 -9.609 -10.546 2.396 1.00 0.78 C ATOM 1996 O LYS A 133 -10.834 -10.589 2.282 1.00 1.79 O ATOM 1997 CB LYS A 133 -7.648 -11.787 1.310 1.00 1.11 C ATOM 1998 CG LYS A 133 -8.090 -13.075 0.615 1.00 1.43 C ATOM 1999 CD LYS A 133 -9.185 -13.783 1.417 1.00 2.07 C ATOM 2000 CE LYS A 133 -8.600 -14.480 2.646 1.00 2.59 C ATOM 2001 NZ LYS A 133 -9.590 -15.407 3.237 1.00 4.20 N ATOM 0 H LYS A 133 -7.179 -9.269 1.316 1.00 0.66 H new ATOM 0 HA LYS A 133 -9.348 -11.007 0.340 1.00 0.78 H new ATOM 0 HB2 LYS A 133 -6.707 -11.443 0.881 1.00 1.11 H new ATOM 0 HB3 LYS A 133 -7.464 -11.984 2.366 1.00 1.11 H new ATOM 0 HG2 LYS A 133 -8.458 -12.845 -0.385 1.00 1.43 H new ATOM 0 HG3 LYS A 133 -7.235 -13.740 0.495 1.00 1.43 H new ATOM 0 HD2 LYS A 133 -9.938 -13.059 1.729 1.00 2.07 H new ATOM 0 HD3 LYS A 133 -9.689 -14.514 0.785 1.00 2.07 H new ATOM 0 HE2 LYS A 133 -7.701 -15.029 2.366 1.00 2.59 H new ATOM 0 HE3 LYS A 133 -8.302 -13.737 3.386 1.00 2.59 H new ATOM 0 HZ1 LYS A 133 -9.117 -16.292 3.510 1.00 4.20 H new ATOM 0 HZ2 LYS A 133 -10.017 -14.969 4.078 1.00 4.20 H new ATOM 0 HZ3 LYS A 133 -10.333 -15.613 2.539 1.00 4.20 H new ATOM 2015 N GLU A 134 -8.968 -10.377 3.543 1.00 0.90 N ATOM 2016 CA GLU A 134 -9.696 -10.228 4.791 1.00 0.85 C ATOM 2017 C GLU A 134 -8.974 -9.242 5.711 1.00 0.94 C ATOM 2018 O GLU A 134 -7.760 -9.070 5.615 1.00 1.67 O ATOM 2019 CB GLU A 134 -9.886 -11.581 5.480 1.00 1.02 C ATOM 2020 CG GLU A 134 -11.103 -12.316 4.917 1.00 1.53 C ATOM 2021 CD GLU A 134 -11.374 -13.605 5.696 1.00 1.67 C ATOM 2022 OE1 GLU A 134 -11.900 -13.486 6.824 1.00 2.58 O ATOM 2023 OE2 GLU A 134 -11.049 -14.680 5.146 1.00 2.40 O ATOM 0 H GLU A 134 -7.953 -10.340 3.634 1.00 0.90 H new ATOM 0 HA GLU A 134 -10.685 -9.829 4.567 1.00 0.85 H new ATOM 0 HB2 GLU A 134 -8.993 -12.191 5.344 1.00 1.02 H new ATOM 0 HB3 GLU A 134 -10.010 -11.433 6.553 1.00 1.02 H new ATOM 0 HG2 GLU A 134 -11.978 -11.668 4.964 1.00 1.53 H new ATOM 0 HG3 GLU A 134 -10.936 -12.550 3.866 1.00 1.53 H new ATOM 2030 N GLY A 135 -9.752 -8.616 6.584 1.00 0.79 N ATOM 2031 CA GLY A 135 -9.191 -7.713 7.573 1.00 0.87 C ATOM 2032 C GLY A 135 -9.275 -6.260 7.100 1.00 0.85 C ATOM 2033 O GLY A 135 -8.467 -5.425 7.502 1.00 1.01 O ATOM 0 H GLY A 135 -10.766 -8.717 6.626 1.00 0.79 H new ATOM 0 HA2 GLY A 135 -9.726 -7.824 8.516 1.00 0.87 H new ATOM 0 HA3 GLY A 135 -8.151 -7.978 7.764 1.00 0.87 H new ATOM 2037 N MET A 136 -10.260 -6.004 6.251 1.00 0.88 N ATOM 2038 CA MET A 136 -10.457 -4.669 5.713 1.00 1.06 C ATOM 2039 C MET A 136 -11.114 -3.752 6.746 1.00 0.95 C ATOM 2040 O MET A 136 -11.091 -2.531 6.600 1.00 0.94 O ATOM 2041 CB MET A 136 -11.337 -4.746 4.464 1.00 1.26 C ATOM 2042 CG MET A 136 -12.817 -4.826 4.841 1.00 2.02 C ATOM 2043 SD MET A 136 -13.511 -3.186 4.943 1.00 3.29 S ATOM 2044 CE MET A 136 -13.349 -2.673 3.240 1.00 1.72 C ATOM 0 H MET A 136 -10.930 -6.699 5.923 1.00 0.88 H new ATOM 0 HA MET A 136 -9.482 -4.254 5.456 1.00 1.06 H new ATOM 0 HB2 MET A 136 -11.164 -3.870 3.838 1.00 1.26 H new ATOM 0 HB3 MET A 136 -11.061 -5.619 3.873 1.00 1.26 H new ATOM 0 HG2 MET A 136 -13.358 -5.413 4.099 1.00 2.02 H new ATOM 0 HG3 MET A 136 -12.930 -5.338 5.797 1.00 2.02 H new ATOM 0 HE1 MET A 136 -14.168 -2.001 2.983 1.00 1.72 H new ATOM 0 HE2 MET A 136 -12.399 -2.155 3.105 1.00 1.72 H new ATOM 0 HE3 MET A 136 -13.381 -3.549 2.592 1.00 1.72 H new ATOM 2054 N ASN A 137 -11.684 -4.375 7.766 1.00 0.95 N ATOM 2055 CA ASN A 137 -12.321 -3.629 8.838 1.00 0.98 C ATOM 2056 C ASN A 137 -11.249 -2.915 9.664 1.00 0.95 C ATOM 2057 O ASN A 137 -11.527 -1.904 10.306 1.00 0.96 O ATOM 2058 CB ASN A 137 -13.095 -4.561 9.773 1.00 1.04 C ATOM 2059 CG ASN A 137 -14.363 -3.882 10.296 1.00 2.44 C ATOM 2060 OD1 ASN A 137 -15.475 -4.324 10.064 1.00 3.40 O ATOM 2061 ND2 ASN A 137 -14.132 -2.786 11.014 1.00 3.82 N ATOM 0 H ASN A 137 -11.718 -5.389 7.873 1.00 0.95 H new ATOM 0 HA ASN A 137 -13.011 -2.915 8.388 1.00 0.98 H new ATOM 0 HB2 ASN A 137 -13.360 -5.476 9.243 1.00 1.04 H new ATOM 0 HB3 ASN A 137 -12.461 -4.850 10.611 1.00 1.04 H new ATOM 0 HD21 ASN A 137 -14.912 -2.261 11.408 1.00 3.82 H new ATOM 0 HD22 ASN A 137 -13.175 -2.471 11.170 1.00 3.82 H new ATOM 2068 N ILE A 138 -10.046 -3.470 9.620 1.00 0.94 N ATOM 2069 CA ILE A 138 -8.915 -2.859 10.298 1.00 0.96 C ATOM 2070 C ILE A 138 -8.408 -1.676 9.469 1.00 0.94 C ATOM 2071 O ILE A 138 -7.924 -0.690 10.022 1.00 1.02 O ATOM 2072 CB ILE A 138 -7.840 -3.906 10.596 1.00 0.97 C ATOM 2073 CG1 ILE A 138 -8.244 -4.783 11.783 1.00 1.36 C ATOM 2074 CG2 ILE A 138 -6.477 -3.247 10.808 1.00 1.01 C ATOM 2075 CD1 ILE A 138 -9.433 -5.677 11.425 1.00 0.94 C ATOM 0 H ILE A 138 -9.830 -4.336 9.126 1.00 0.94 H new ATOM 0 HA ILE A 138 -9.220 -2.463 11.267 1.00 0.96 H new ATOM 0 HB ILE A 138 -7.749 -4.560 9.728 1.00 0.97 H new ATOM 0 HG12 ILE A 138 -7.399 -5.400 12.088 1.00 1.36 H new ATOM 0 HG13 ILE A 138 -8.502 -4.153 12.634 1.00 1.36 H new ATOM 0 HG21 ILE A 138 -5.731 -4.013 11.018 1.00 1.01 H new ATOM 0 HG22 ILE A 138 -6.193 -2.701 9.908 1.00 1.01 H new ATOM 0 HG23 ILE A 138 -6.534 -2.556 11.649 1.00 1.01 H new ATOM 0 HD11 ILE A 138 -9.700 -6.290 12.286 1.00 0.94 H new ATOM 0 HD12 ILE A 138 -10.284 -5.056 11.144 1.00 0.94 H new ATOM 0 HD13 ILE A 138 -9.164 -6.323 10.589 1.00 0.94 H new ATOM 2087 N VAL A 139 -8.537 -1.814 8.159 1.00 0.86 N ATOM 2088 CA VAL A 139 -8.183 -0.733 7.253 1.00 0.86 C ATOM 2089 C VAL A 139 -9.203 0.398 7.396 1.00 0.88 C ATOM 2090 O VAL A 139 -8.849 1.573 7.307 1.00 0.95 O ATOM 2091 CB VAL A 139 -8.073 -1.263 5.823 1.00 0.85 C ATOM 2092 CG1 VAL A 139 -7.858 -0.119 4.830 1.00 0.96 C ATOM 2093 CG2 VAL A 139 -6.958 -2.305 5.708 1.00 0.83 C ATOM 0 H VAL A 139 -8.882 -2.658 7.702 1.00 0.86 H new ATOM 0 HA VAL A 139 -7.205 -0.324 7.508 1.00 0.86 H new ATOM 0 HB VAL A 139 -9.015 -1.752 5.574 1.00 0.85 H new ATOM 0 HG11 VAL A 139 -7.783 -0.523 3.820 1.00 0.96 H new ATOM 0 HG12 VAL A 139 -8.700 0.572 4.883 1.00 0.96 H new ATOM 0 HG13 VAL A 139 -6.938 0.410 5.078 1.00 0.96 H new ATOM 0 HG21 VAL A 139 -6.901 -2.665 4.681 1.00 0.83 H new ATOM 0 HG22 VAL A 139 -6.007 -1.852 5.987 1.00 0.83 H new ATOM 0 HG23 VAL A 139 -7.171 -3.141 6.375 1.00 0.83 H new ATOM 2103 N GLU A 140 -10.450 0.005 7.614 1.00 0.89 N ATOM 2104 CA GLU A 140 -11.505 0.970 7.869 1.00 0.95 C ATOM 2105 C GLU A 140 -11.226 1.732 9.166 1.00 1.09 C ATOM 2106 O GLU A 140 -11.425 2.944 9.233 1.00 1.19 O ATOM 2107 CB GLU A 140 -12.873 0.285 7.918 1.00 1.01 C ATOM 2108 CG GLU A 140 -14.003 1.308 7.780 1.00 1.24 C ATOM 2109 CD GLU A 140 -14.418 1.856 9.147 1.00 3.05 C ATOM 2110 OE1 GLU A 140 -14.736 1.020 10.020 1.00 3.97 O ATOM 2111 OE2 GLU A 140 -14.407 3.098 9.288 1.00 4.28 O ATOM 0 H GLU A 140 -10.753 -0.969 7.619 1.00 0.89 H new ATOM 0 HA GLU A 140 -11.523 1.686 7.047 1.00 0.95 H new ATOM 0 HB2 GLU A 140 -12.944 -0.451 7.117 1.00 1.01 H new ATOM 0 HB3 GLU A 140 -12.980 -0.256 8.858 1.00 1.01 H new ATOM 0 HG2 GLU A 140 -13.679 2.128 7.139 1.00 1.24 H new ATOM 0 HG3 GLU A 140 -14.861 0.843 7.295 1.00 1.24 H new ATOM 2118 N ALA A 141 -10.769 0.990 10.163 1.00 1.15 N ATOM 2119 CA ALA A 141 -10.497 1.573 11.467 1.00 1.29 C ATOM 2120 C ALA A 141 -9.444 2.673 11.317 1.00 1.29 C ATOM 2121 O ALA A 141 -9.676 3.817 11.707 1.00 1.41 O ATOM 2122 CB ALA A 141 -10.058 0.474 12.436 1.00 1.42 C ATOM 0 H ALA A 141 -10.580 -0.010 10.095 1.00 1.15 H new ATOM 0 HA ALA A 141 -11.396 2.030 11.879 1.00 1.29 H new ATOM 0 HB1 ALA A 141 -9.854 0.911 13.414 1.00 1.42 H new ATOM 0 HB2 ALA A 141 -10.851 -0.268 12.528 1.00 1.42 H new ATOM 0 HB3 ALA A 141 -9.155 -0.006 12.057 1.00 1.42 H new ATOM 2128 N MET A 142 -8.308 2.289 10.753 1.00 1.24 N ATOM 2129 CA MET A 142 -7.183 3.201 10.638 1.00 1.27 C ATOM 2130 C MET A 142 -7.517 4.371 9.710 1.00 1.25 C ATOM 2131 O MET A 142 -6.896 5.429 9.790 1.00 1.44 O ATOM 2132 CB MET A 142 -5.968 2.448 10.093 1.00 1.35 C ATOM 2133 CG MET A 142 -5.959 2.457 8.563 1.00 1.55 C ATOM 2134 SD MET A 142 -4.922 1.139 7.952 1.00 1.52 S ATOM 2135 CE MET A 142 -3.312 1.823 8.302 1.00 1.87 C ATOM 0 H MET A 142 -8.143 1.358 10.371 1.00 1.24 H new ATOM 0 HA MET A 142 -6.961 3.599 11.628 1.00 1.27 H new ATOM 0 HB2 MET A 142 -5.053 2.906 10.468 1.00 1.35 H new ATOM 0 HB3 MET A 142 -5.981 1.420 10.454 1.00 1.35 H new ATOM 0 HG2 MET A 142 -6.974 2.338 8.184 1.00 1.55 H new ATOM 0 HG3 MET A 142 -5.594 3.417 8.199 1.00 1.55 H new ATOM 0 HE1 MET A 142 -2.543 1.094 8.046 1.00 1.87 H new ATOM 0 HE2 MET A 142 -3.165 2.727 7.712 1.00 1.87 H new ATOM 0 HE3 MET A 142 -3.243 2.066 9.362 1.00 1.87 H new ATOM 2145 N GLU A 143 -8.500 4.141 8.851 1.00 1.12 N ATOM 2146 CA GLU A 143 -8.938 5.169 7.923 1.00 1.14 C ATOM 2147 C GLU A 143 -9.598 6.322 8.681 1.00 1.36 C ATOM 2148 O GLU A 143 -9.444 7.485 8.309 1.00 1.54 O ATOM 2149 CB GLU A 143 -9.888 4.590 6.872 1.00 1.04 C ATOM 2150 CG GLU A 143 -9.219 4.541 5.497 1.00 2.04 C ATOM 2151 CD GLU A 143 -10.151 3.917 4.456 1.00 2.01 C ATOM 2152 OE1 GLU A 143 -11.139 4.595 4.100 1.00 2.04 O ATOM 2153 OE2 GLU A 143 -9.855 2.776 4.040 1.00 2.97 O ATOM 0 H GLU A 143 -9.005 3.258 8.779 1.00 1.12 H new ATOM 0 HA GLU A 143 -8.063 5.556 7.401 1.00 1.14 H new ATOM 0 HB2 GLU A 143 -10.195 3.587 7.167 1.00 1.04 H new ATOM 0 HB3 GLU A 143 -10.792 5.197 6.819 1.00 1.04 H new ATOM 0 HG2 GLU A 143 -8.944 5.549 5.186 1.00 2.04 H new ATOM 0 HG3 GLU A 143 -8.297 3.963 5.558 1.00 2.04 H new ATOM 2160 N ARG A 144 -10.320 5.961 9.733 1.00 1.43 N ATOM 2161 CA ARG A 144 -11.040 6.947 10.521 1.00 1.72 C ATOM 2162 C ARG A 144 -10.060 7.803 11.325 1.00 1.89 C ATOM 2163 O ARG A 144 -10.372 8.936 11.688 1.00 2.23 O ATOM 2164 CB ARG A 144 -12.024 6.273 11.480 1.00 1.92 C ATOM 2165 CG ARG A 144 -13.285 7.121 11.657 1.00 2.65 C ATOM 2166 CD ARG A 144 -14.286 6.856 10.530 1.00 3.58 C ATOM 2167 NE ARG A 144 -14.762 5.456 10.595 1.00 3.45 N ATOM 2168 CZ ARG A 144 -15.574 4.982 11.550 1.00 3.73 C ATOM 2169 NH1 ARG A 144 -16.160 5.826 12.410 1.00 4.43 N ATOM 2170 NH2 ARG A 144 -15.800 3.664 11.643 1.00 4.55 N ATOM 0 H ARG A 144 -10.421 4.999 10.057 1.00 1.43 H new ATOM 0 HA ARG A 144 -11.598 7.580 9.831 1.00 1.72 H new ATOM 0 HB2 ARG A 144 -12.294 5.289 11.097 1.00 1.92 H new ATOM 0 HB3 ARG A 144 -11.546 6.119 12.448 1.00 1.92 H new ATOM 0 HG2 ARG A 144 -13.747 6.897 12.619 1.00 2.65 H new ATOM 0 HG3 ARG A 144 -13.018 8.178 11.670 1.00 2.65 H new ATOM 0 HD2 ARG A 144 -15.130 7.540 10.614 1.00 3.58 H new ATOM 0 HD3 ARG A 144 -13.817 7.045 9.564 1.00 3.58 H new ATOM 0 HE ARG A 144 -14.453 4.812 9.867 1.00 3.45 H new ATOM 0 HH11 ARG A 144 -15.988 6.829 12.338 1.00 4.43 H new ATOM 0 HH12 ARG A 144 -16.778 5.466 13.137 1.00 4.43 H new ATOM 0 HH21 ARG A 144 -15.354 3.023 10.987 1.00 4.55 H new ATOM 0 HH22 ARG A 144 -16.418 3.303 12.370 1.00 4.55 H new ATOM 2184 N PHE A 145 -8.892 7.229 11.579 1.00 1.73 N ATOM 2185 CA PHE A 145 -7.901 7.888 12.412 1.00 1.85 C ATOM 2186 C PHE A 145 -7.247 9.054 11.668 1.00 1.79 C ATOM 2187 O PHE A 145 -6.799 10.017 12.289 1.00 1.86 O ATOM 2188 CB PHE A 145 -6.830 6.844 12.741 1.00 2.05 C ATOM 2189 CG PHE A 145 -6.111 7.089 14.069 1.00 3.48 C ATOM 2190 CD1 PHE A 145 -4.988 7.854 14.104 1.00 5.42 C ATOM 2191 CD2 PHE A 145 -6.596 6.539 15.215 1.00 3.39 C ATOM 2192 CE1 PHE A 145 -4.322 8.080 15.338 1.00 6.91 C ATOM 2193 CE2 PHE A 145 -5.930 6.765 16.448 1.00 4.85 C ATOM 2194 CZ PHE A 145 -4.806 7.532 16.483 1.00 6.47 C ATOM 0 H PHE A 145 -8.611 6.316 11.223 1.00 1.73 H new ATOM 0 HA PHE A 145 -8.374 8.285 13.310 1.00 1.85 H new ATOM 0 HB2 PHE A 145 -7.294 5.858 12.767 1.00 2.05 H new ATOM 0 HB3 PHE A 145 -6.093 6.828 11.938 1.00 2.05 H new ATOM 0 HD1 PHE A 145 -4.602 8.290 13.194 1.00 5.42 H new ATOM 0 HD2 PHE A 145 -7.488 5.930 15.187 1.00 3.39 H new ATOM 0 HE1 PHE A 145 -3.430 8.688 15.366 1.00 6.91 H new ATOM 0 HE2 PHE A 145 -6.315 6.329 17.358 1.00 4.85 H new ATOM 0 HZ PHE A 145 -4.299 7.705 17.421 1.00 6.47 H new ATOM 2204 N GLY A 146 -7.215 8.931 10.350 1.00 1.83 N ATOM 2205 CA GLY A 146 -6.711 10.003 9.510 1.00 1.77 C ATOM 2206 C GLY A 146 -7.689 11.178 9.474 1.00 1.65 C ATOM 2207 O GLY A 146 -7.276 12.337 9.523 1.00 3.38 O ATOM 0 H GLY A 146 -7.530 8.104 9.843 1.00 1.83 H new ATOM 0 HA2 GLY A 146 -5.745 10.341 9.886 1.00 1.77 H new ATOM 0 HA3 GLY A 146 -6.547 9.631 8.499 1.00 1.77 H new ATOM 2211 N SER A 147 -8.967 10.842 9.387 1.00 1.04 N ATOM 2212 CA SER A 147 -10.017 11.825 9.589 1.00 1.50 C ATOM 2213 C SER A 147 -10.049 12.806 8.415 1.00 1.63 C ATOM 2214 O SER A 147 -9.280 12.666 7.466 1.00 2.04 O ATOM 2215 CB SER A 147 -9.818 12.581 10.905 1.00 2.01 C ATOM 2216 OG SER A 147 -9.487 11.704 11.980 1.00 3.41 O ATOM 0 H SER A 147 -9.300 9.901 9.179 1.00 1.04 H new ATOM 0 HA SER A 147 -10.971 11.300 9.642 1.00 1.50 H new ATOM 0 HB2 SER A 147 -9.026 13.320 10.783 1.00 2.01 H new ATOM 0 HB3 SER A 147 -10.728 13.128 11.150 1.00 2.01 H new ATOM 0 HG SER A 147 -9.814 10.802 11.779 1.00 3.41 H new ATOM 2222 N ARG A 148 -10.947 13.774 8.519 1.00 2.40 N ATOM 2223 CA ARG A 148 -11.245 14.641 7.391 1.00 2.96 C ATOM 2224 C ARG A 148 -10.012 15.462 7.011 1.00 2.90 C ATOM 2225 O ARG A 148 -9.819 15.794 5.843 1.00 3.14 O ATOM 2226 CB ARG A 148 -12.400 15.591 7.717 1.00 3.62 C ATOM 2227 CG ARG A 148 -11.976 16.633 8.753 1.00 3.97 C ATOM 2228 CD ARG A 148 -13.192 17.366 9.325 1.00 4.78 C ATOM 2229 NE ARG A 148 -13.949 16.465 10.223 1.00 5.96 N ATOM 2230 CZ ARG A 148 -13.529 16.088 11.438 1.00 7.14 C ATOM 2231 NH1 ARG A 148 -12.418 16.626 11.959 1.00 7.55 N ATOM 2232 NH2 ARG A 148 -14.221 15.175 12.133 1.00 8.47 N ATOM 0 H ARG A 148 -11.478 13.977 9.366 1.00 2.40 H new ATOM 0 HA ARG A 148 -11.535 14.007 6.554 1.00 2.96 H new ATOM 0 HB2 ARG A 148 -12.732 16.091 6.807 1.00 3.62 H new ATOM 0 HB3 ARG A 148 -13.249 15.021 8.095 1.00 3.62 H new ATOM 0 HG2 ARG A 148 -11.428 16.146 9.560 1.00 3.97 H new ATOM 0 HG3 ARG A 148 -11.297 17.351 8.294 1.00 3.97 H new ATOM 0 HD2 ARG A 148 -12.869 18.251 9.872 1.00 4.78 H new ATOM 0 HD3 ARG A 148 -13.835 17.709 8.514 1.00 4.78 H new ATOM 0 HE ARG A 148 -14.847 16.109 9.896 1.00 5.96 H new ATOM 0 HH11 ARG A 148 -11.892 17.322 11.431 1.00 7.55 H new ATOM 0 HH12 ARG A 148 -12.098 16.339 12.884 1.00 7.55 H new ATOM 0 HH21 ARG A 148 -15.068 14.767 11.737 1.00 8.47 H new ATOM 0 HH22 ARG A 148 -13.901 14.888 13.058 1.00 8.47 H new ATOM 2246 N ASN A 149 -9.207 15.763 8.020 1.00 2.75 N ATOM 2247 CA ASN A 149 -8.024 16.582 7.814 1.00 2.88 C ATOM 2248 C ASN A 149 -7.016 15.809 6.960 1.00 2.72 C ATOM 2249 O ASN A 149 -6.103 16.398 6.385 1.00 3.03 O ATOM 2250 CB ASN A 149 -7.352 16.924 9.145 1.00 3.00 C ATOM 2251 CG ASN A 149 -7.281 15.695 10.054 1.00 2.95 C ATOM 2252 OD1 ASN A 149 -8.159 15.436 10.861 1.00 3.77 O ATOM 2253 ND2 ASN A 149 -6.190 14.956 9.879 1.00 2.86 N ATOM 0 H ASN A 149 -9.351 15.455 8.982 1.00 2.75 H new ATOM 0 HA ASN A 149 -8.333 17.503 7.319 1.00 2.88 H new ATOM 0 HB2 ASN A 149 -6.347 17.304 8.962 1.00 3.00 H new ATOM 0 HB3 ASN A 149 -7.908 17.718 9.644 1.00 3.00 H new ATOM 0 HD21 ASN A 149 -6.049 14.115 10.438 1.00 2.86 H new ATOM 0 HD22 ASN A 149 -5.494 15.230 9.186 1.00 2.86 H new ATOM 2260 N GLY A 150 -7.216 14.500 6.906 1.00 2.48 N ATOM 2261 CA GLY A 150 -6.454 13.664 5.995 1.00 2.76 C ATOM 2262 C GLY A 150 -5.026 13.458 6.506 1.00 2.28 C ATOM 2263 O GLY A 150 -4.071 13.527 5.734 1.00 3.15 O ATOM 0 H GLY A 150 -7.895 13.998 7.479 1.00 2.48 H new ATOM 0 HA2 GLY A 150 -6.947 12.698 5.883 1.00 2.76 H new ATOM 0 HA3 GLY A 150 -6.428 14.125 5.008 1.00 2.76 H new ATOM 2267 N LYS A 151 -4.926 13.208 7.803 1.00 1.68 N ATOM 2268 CA LYS A 151 -3.634 12.953 8.418 1.00 1.86 C ATOM 2269 C LYS A 151 -3.846 12.351 9.809 1.00 1.47 C ATOM 2270 O LYS A 151 -4.764 12.745 10.525 1.00 1.71 O ATOM 2271 CB LYS A 151 -2.781 14.223 8.422 1.00 2.80 C ATOM 2272 CG LYS A 151 -1.312 13.897 8.698 1.00 2.75 C ATOM 2273 CD LYS A 151 -0.414 15.094 8.380 1.00 3.79 C ATOM 2274 CE LYS A 151 -0.052 15.129 6.894 1.00 4.94 C ATOM 2275 NZ LYS A 151 1.039 14.171 6.605 1.00 5.10 N ATOM 0 H LYS A 151 -5.718 13.177 8.445 1.00 1.68 H new ATOM 0 HA LYS A 151 -3.073 12.222 7.835 1.00 1.86 H new ATOM 0 HB2 LYS A 151 -2.870 14.728 7.460 1.00 2.80 H new ATOM 0 HB3 LYS A 151 -3.153 14.912 9.180 1.00 2.80 H new ATOM 0 HG2 LYS A 151 -1.189 13.614 9.743 1.00 2.75 H new ATOM 0 HG3 LYS A 151 -1.007 13.040 8.097 1.00 2.75 H new ATOM 0 HD2 LYS A 151 -0.922 16.018 8.656 1.00 3.79 H new ATOM 0 HD3 LYS A 151 0.496 15.040 8.978 1.00 3.79 H new ATOM 0 HE2 LYS A 151 -0.928 14.884 6.294 1.00 4.94 H new ATOM 0 HE3 LYS A 151 0.256 16.136 6.612 1.00 4.94 H new ATOM 0 HZ1 LYS A 151 1.597 14.514 5.797 1.00 5.10 H new ATOM 0 HZ2 LYS A 151 1.654 14.084 7.439 1.00 5.10 H new ATOM 0 HZ3 LYS A 151 0.633 13.241 6.376 1.00 5.10 H new ATOM 2289 N THR A 152 -2.982 11.405 10.147 1.00 1.83 N ATOM 2290 CA THR A 152 -3.073 10.734 11.432 1.00 2.02 C ATOM 2291 C THR A 152 -2.777 11.715 12.569 1.00 2.32 C ATOM 2292 O THR A 152 -2.058 12.694 12.378 1.00 2.78 O ATOM 2293 CB THR A 152 -2.127 9.532 11.406 1.00 2.56 C ATOM 2294 OG1 THR A 152 -0.908 10.059 10.890 1.00 3.96 O ATOM 2295 CG2 THR A 152 -2.544 8.481 10.374 1.00 1.92 C ATOM 0 H THR A 152 -2.216 11.088 9.553 1.00 1.83 H new ATOM 0 HA THR A 152 -4.083 10.368 11.615 1.00 2.02 H new ATOM 0 HB THR A 152 -2.093 9.077 12.396 1.00 2.56 H new ATOM 0 HG1 THR A 152 -0.238 9.346 10.841 1.00 3.96 H new ATOM 0 HG21 THR A 152 -1.840 7.649 10.396 1.00 1.92 H new ATOM 0 HG22 THR A 152 -3.544 8.116 10.610 1.00 1.92 H new ATOM 0 HG23 THR A 152 -2.546 8.928 9.380 1.00 1.92 H new ATOM 2303 N SER A 153 -3.348 11.418 13.728 1.00 2.34 N ATOM 2304 CA SER A 153 -3.244 12.317 14.865 1.00 2.75 C ATOM 2305 C SER A 153 -2.061 11.912 15.746 1.00 2.83 C ATOM 2306 O SER A 153 -1.674 12.651 16.649 1.00 3.56 O ATOM 2307 CB SER A 153 -4.537 12.321 15.682 1.00 3.15 C ATOM 2308 OG SER A 153 -4.871 11.021 16.163 1.00 3.47 O ATOM 0 H SER A 153 -3.884 10.568 13.904 1.00 2.34 H new ATOM 0 HA SER A 153 -3.079 13.327 14.489 1.00 2.75 H new ATOM 0 HB2 SER A 153 -4.430 13.003 16.526 1.00 3.15 H new ATOM 0 HB3 SER A 153 -5.353 12.700 15.067 1.00 3.15 H new ATOM 0 HG SER A 153 -4.279 10.358 15.751 1.00 3.47 H new ATOM 2314 N LYS A 154 -1.519 10.738 15.452 1.00 2.36 N ATOM 2315 CA LYS A 154 -0.420 10.204 16.237 1.00 2.59 C ATOM 2316 C LYS A 154 0.592 9.539 15.304 1.00 2.46 C ATOM 2317 O LYS A 154 1.366 10.221 14.633 1.00 2.66 O ATOM 2318 CB LYS A 154 -0.946 9.277 17.335 1.00 2.70 C ATOM 2319 CG LYS A 154 -1.572 10.079 18.477 1.00 3.44 C ATOM 2320 CD LYS A 154 -2.222 9.151 19.506 1.00 3.56 C ATOM 2321 CE LYS A 154 -2.470 9.886 20.826 1.00 4.42 C ATOM 2322 NZ LYS A 154 -1.237 9.917 21.642 1.00 6.11 N ATOM 0 H LYS A 154 -1.821 10.143 14.681 1.00 2.36 H new ATOM 0 HA LYS A 154 0.104 11.008 16.754 1.00 2.59 H new ATOM 0 HB2 LYS A 154 -1.686 8.595 16.916 1.00 2.70 H new ATOM 0 HB3 LYS A 154 -0.131 8.665 17.720 1.00 2.70 H new ATOM 0 HG2 LYS A 154 -0.808 10.687 18.961 1.00 3.44 H new ATOM 0 HG3 LYS A 154 -2.319 10.765 18.078 1.00 3.44 H new ATOM 0 HD2 LYS A 154 -3.165 8.771 19.114 1.00 3.56 H new ATOM 0 HD3 LYS A 154 -1.579 8.288 19.681 1.00 3.56 H new ATOM 0 HE2 LYS A 154 -2.806 10.903 20.625 1.00 4.42 H new ATOM 0 HE3 LYS A 154 -3.267 9.391 21.380 1.00 4.42 H new ATOM 0 HZ1 LYS A 154 -1.423 10.419 22.534 1.00 6.11 H new ATOM 0 HZ2 LYS A 154 -0.933 8.944 21.849 1.00 6.11 H new ATOM 0 HZ3 LYS A 154 -0.486 10.410 21.118 1.00 6.11 H new ATOM 2336 N LYS A 155 0.555 8.215 15.289 1.00 2.23 N ATOM 2337 CA LYS A 155 1.519 7.447 14.519 1.00 2.21 C ATOM 2338 C LYS A 155 0.908 6.095 14.145 1.00 1.92 C ATOM 2339 O LYS A 155 0.361 5.401 15.001 1.00 1.87 O ATOM 2340 CB LYS A 155 2.843 7.334 15.278 1.00 2.56 C ATOM 2341 CG LYS A 155 2.690 6.451 16.518 1.00 2.32 C ATOM 2342 CD LYS A 155 3.910 6.576 17.434 1.00 2.69 C ATOM 2343 CE LYS A 155 3.734 5.733 18.698 1.00 3.81 C ATOM 2344 NZ LYS A 155 4.881 5.926 19.613 1.00 4.49 N ATOM 0 H LYS A 155 -0.128 7.654 15.798 1.00 2.23 H new ATOM 0 HA LYS A 155 1.755 7.959 13.586 1.00 2.21 H new ATOM 0 HB2 LYS A 155 3.608 6.917 14.622 1.00 2.56 H new ATOM 0 HB3 LYS A 155 3.183 8.327 15.574 1.00 2.56 H new ATOM 0 HG2 LYS A 155 1.790 6.736 17.063 1.00 2.32 H new ATOM 0 HG3 LYS A 155 2.563 5.412 16.215 1.00 2.32 H new ATOM 0 HD2 LYS A 155 4.805 6.255 16.900 1.00 2.69 H new ATOM 0 HD3 LYS A 155 4.059 7.621 17.707 1.00 2.69 H new ATOM 0 HE2 LYS A 155 2.808 6.011 19.202 1.00 3.81 H new ATOM 0 HE3 LYS A 155 3.647 4.680 18.431 1.00 3.81 H new ATOM 0 HZ1 LYS A 155 4.746 5.347 20.466 1.00 4.49 H new ATOM 0 HZ2 LYS A 155 5.759 5.639 19.135 1.00 4.49 H new ATOM 0 HZ3 LYS A 155 4.946 6.929 19.882 1.00 4.49 H new ATOM 2358 N ILE A 156 1.021 5.763 12.869 1.00 1.88 N ATOM 2359 CA ILE A 156 0.504 4.497 12.376 1.00 1.61 C ATOM 2360 C ILE A 156 1.577 3.809 11.528 1.00 1.82 C ATOM 2361 O ILE A 156 2.041 4.369 10.536 1.00 2.08 O ATOM 2362 CB ILE A 156 -0.820 4.709 11.640 1.00 1.27 C ATOM 2363 CG1 ILE A 156 -1.847 5.391 12.545 1.00 1.52 C ATOM 2364 CG2 ILE A 156 -1.346 3.391 11.066 1.00 1.28 C ATOM 2365 CD1 ILE A 156 -3.225 5.431 11.879 1.00 1.74 C ATOM 0 H ILE A 156 1.463 6.348 12.160 1.00 1.88 H new ATOM 0 HA ILE A 156 0.276 3.829 13.206 1.00 1.61 H new ATOM 0 HB ILE A 156 -0.640 5.377 10.798 1.00 1.27 H new ATOM 0 HG12 ILE A 156 -1.913 4.857 13.493 1.00 1.52 H new ATOM 0 HG13 ILE A 156 -1.520 6.405 12.772 1.00 1.52 H new ATOM 0 HG21 ILE A 156 -2.288 3.570 10.548 1.00 1.28 H new ATOM 0 HG22 ILE A 156 -0.618 2.983 10.365 1.00 1.28 H new ATOM 0 HG23 ILE A 156 -1.507 2.680 11.876 1.00 1.28 H new ATOM 0 HD11 ILE A 156 -3.936 5.921 12.544 1.00 1.74 H new ATOM 0 HD12 ILE A 156 -3.161 5.986 10.943 1.00 1.74 H new ATOM 0 HD13 ILE A 156 -3.560 4.414 11.675 1.00 1.74 H new ATOM 2377 N THR A 157 1.938 2.607 11.950 1.00 1.85 N ATOM 2378 CA THR A 157 2.925 1.825 11.224 1.00 2.18 C ATOM 2379 C THR A 157 2.518 0.350 11.192 1.00 1.76 C ATOM 2380 O THR A 157 1.512 -0.033 11.789 1.00 1.60 O ATOM 2381 CB THR A 157 4.289 2.065 11.873 1.00 2.85 C ATOM 2382 OG1 THR A 157 4.162 1.490 13.171 1.00 2.89 O ATOM 2383 CG2 THR A 157 4.554 3.546 12.147 1.00 2.99 C ATOM 0 H THR A 157 1.565 2.155 12.785 1.00 1.85 H new ATOM 0 HA THR A 157 2.986 2.136 10.181 1.00 2.18 H new ATOM 0 HB THR A 157 5.073 1.669 11.227 1.00 2.85 H new ATOM 0 HG1 THR A 157 5.004 1.600 13.661 1.00 2.89 H new ATOM 0 HG21 THR A 157 5.535 3.661 12.608 1.00 2.99 H new ATOM 0 HG22 THR A 157 4.527 4.100 11.209 1.00 2.99 H new ATOM 0 HG23 THR A 157 3.789 3.934 12.820 1.00 2.99 H new ATOM 2391 N ILE A 158 3.320 -0.437 10.492 1.00 1.69 N ATOM 2392 CA ILE A 158 3.209 -1.883 10.574 1.00 1.28 C ATOM 2393 C ILE A 158 3.345 -2.320 12.034 1.00 1.06 C ATOM 2394 O ILE A 158 4.093 -1.713 12.800 1.00 1.25 O ATOM 2395 CB ILE A 158 4.215 -2.553 9.636 1.00 1.38 C ATOM 2396 CG1 ILE A 158 3.716 -2.531 8.190 1.00 2.24 C ATOM 2397 CG2 ILE A 158 4.545 -3.971 10.107 1.00 1.32 C ATOM 2398 CD1 ILE A 158 4.717 -3.210 7.254 1.00 2.90 C ATOM 0 H ILE A 158 4.050 -0.101 9.865 1.00 1.69 H new ATOM 0 HA ILE A 158 2.226 -2.208 10.234 1.00 1.28 H new ATOM 0 HB ILE A 158 5.142 -1.980 9.665 1.00 1.38 H new ATOM 0 HG12 ILE A 158 2.753 -3.037 8.126 1.00 2.24 H new ATOM 0 HG13 ILE A 158 3.557 -1.501 7.872 1.00 2.24 H new ATOM 0 HG21 ILE A 158 5.262 -4.424 9.422 1.00 1.32 H new ATOM 0 HG22 ILE A 158 4.974 -3.931 11.108 1.00 1.32 H new ATOM 0 HG23 ILE A 158 3.634 -4.569 10.126 1.00 1.32 H new ATOM 0 HD11 ILE A 158 4.338 -3.180 6.233 1.00 2.90 H new ATOM 0 HD12 ILE A 158 5.672 -2.687 7.302 1.00 2.90 H new ATOM 0 HD13 ILE A 158 4.855 -4.247 7.560 1.00 2.90 H new ATOM 2410 N ALA A 159 2.610 -3.368 12.377 1.00 1.23 N ATOM 2411 CA ALA A 159 2.903 -4.126 13.581 1.00 1.31 C ATOM 2412 C ALA A 159 3.845 -5.280 13.235 1.00 1.24 C ATOM 2413 O ALA A 159 4.900 -5.430 13.848 1.00 1.36 O ATOM 2414 CB ALA A 159 1.595 -4.610 14.211 1.00 1.53 C ATOM 0 H ALA A 159 1.812 -3.710 11.842 1.00 1.23 H new ATOM 0 HA ALA A 159 3.406 -3.498 14.316 1.00 1.31 H new ATOM 0 HB1 ALA A 159 1.815 -5.179 15.114 1.00 1.53 H new ATOM 0 HB2 ALA A 159 0.974 -3.751 14.465 1.00 1.53 H new ATOM 0 HB3 ALA A 159 1.063 -5.245 13.503 1.00 1.53 H new ATOM 2420 N ASP A 160 3.430 -6.066 12.252 1.00 1.15 N ATOM 2421 CA ASP A 160 4.277 -7.127 11.734 1.00 1.12 C ATOM 2422 C ASP A 160 3.725 -7.604 10.389 1.00 1.04 C ATOM 2423 O ASP A 160 2.657 -7.169 9.964 1.00 1.01 O ATOM 2424 CB ASP A 160 4.304 -8.325 12.685 1.00 1.24 C ATOM 2425 CG ASP A 160 5.220 -8.166 13.900 1.00 1.55 C ATOM 2426 OD1 ASP A 160 6.447 -8.076 13.678 1.00 2.71 O ATOM 2427 OD2 ASP A 160 4.674 -8.138 15.023 1.00 2.45 O ATOM 0 H ASP A 160 2.518 -5.989 11.801 1.00 1.15 H new ATOM 0 HA ASP A 160 5.286 -6.730 11.626 1.00 1.12 H new ATOM 0 HB2 ASP A 160 3.290 -8.514 13.036 1.00 1.24 H new ATOM 0 HB3 ASP A 160 4.617 -9.207 12.126 1.00 1.24 H new ATOM 2432 N CYS A 161 4.479 -8.491 9.757 1.00 1.17 N ATOM 2433 CA CYS A 161 4.108 -8.988 8.443 1.00 1.12 C ATOM 2434 C CYS A 161 4.823 -10.322 8.214 1.00 1.09 C ATOM 2435 O CYS A 161 5.620 -10.753 9.046 1.00 1.32 O ATOM 2436 CB CYS A 161 4.425 -7.974 7.343 1.00 1.20 C ATOM 2437 SG CYS A 161 6.143 -7.367 7.528 1.00 2.03 S ATOM 0 H CYS A 161 5.345 -8.879 10.131 1.00 1.17 H new ATOM 0 HA CYS A 161 3.030 -9.143 8.402 1.00 1.12 H new ATOM 0 HB2 CYS A 161 4.297 -8.435 6.364 1.00 1.20 H new ATOM 0 HB3 CYS A 161 3.727 -7.138 7.395 1.00 1.20 H new ATOM 0 HG CYS A 161 6.194 -6.106 7.214 1.00 2.03 H new ATOM 2443 N GLY A 162 4.512 -10.937 7.083 1.00 0.99 N ATOM 2444 CA GLY A 162 5.068 -12.241 6.763 1.00 1.20 C ATOM 2445 C GLY A 162 4.495 -12.774 5.450 1.00 1.02 C ATOM 2446 O GLY A 162 3.999 -12.005 4.626 1.00 1.35 O ATOM 0 H GLY A 162 3.882 -10.557 6.377 1.00 0.99 H new ATOM 0 HA2 GLY A 162 6.153 -12.169 6.688 1.00 1.20 H new ATOM 0 HA3 GLY A 162 4.850 -12.941 7.570 1.00 1.20 H new ATOM 2450 N GLN A 163 4.579 -14.087 5.293 1.00 1.29 N ATOM 2451 CA GLN A 163 4.140 -14.724 4.064 1.00 1.20 C ATOM 2452 C GLN A 163 3.287 -15.954 4.378 1.00 1.26 C ATOM 2453 O GLN A 163 3.750 -16.885 5.036 1.00 1.55 O ATOM 2454 CB GLN A 163 5.335 -15.098 3.183 1.00 1.45 C ATOM 2455 CG GLN A 163 4.898 -15.981 2.012 1.00 1.84 C ATOM 2456 CD GLN A 163 4.461 -15.130 0.818 1.00 2.58 C ATOM 2457 OE1 GLN A 163 5.263 -14.515 0.135 1.00 2.68 O ATOM 2458 NE2 GLN A 163 3.149 -15.131 0.604 1.00 4.32 N ATOM 0 H GLN A 163 4.945 -14.727 5.998 1.00 1.29 H new ATOM 0 HA GLN A 163 3.528 -14.013 3.509 1.00 1.20 H new ATOM 0 HB2 GLN A 163 5.809 -14.193 2.803 1.00 1.45 H new ATOM 0 HB3 GLN A 163 6.081 -15.622 3.780 1.00 1.45 H new ATOM 0 HG2 GLN A 163 5.720 -16.633 1.717 1.00 1.84 H new ATOM 0 HG3 GLN A 163 4.076 -16.625 2.324 1.00 1.84 H new ATOM 0 HE21 GLN A 163 2.533 -15.668 1.214 1.00 4.32 H new ATOM 0 HE22 GLN A 163 2.758 -14.595 -0.171 1.00 4.32 H new ATOM 2467 N LEU A 164 2.053 -15.919 3.895 1.00 1.17 N ATOM 2468 CA LEU A 164 1.197 -17.092 3.939 1.00 1.38 C ATOM 2469 C LEU A 164 1.330 -17.865 2.626 1.00 1.65 C ATOM 2470 O LEU A 164 1.868 -17.347 1.649 1.00 1.53 O ATOM 2471 CB LEU A 164 -0.241 -16.693 4.275 1.00 1.25 C ATOM 2472 CG LEU A 164 -0.436 -15.925 5.584 1.00 1.11 C ATOM 2473 CD1 LEU A 164 -1.918 -15.835 5.952 1.00 1.48 C ATOM 2474 CD2 LEU A 164 0.397 -16.541 6.710 1.00 0.99 C ATOM 0 H LEU A 164 1.626 -15.096 3.471 1.00 1.17 H new ATOM 0 HA LEU A 164 1.512 -17.764 4.738 1.00 1.38 H new ATOM 0 HB2 LEU A 164 -0.628 -16.084 3.458 1.00 1.25 H new ATOM 0 HB3 LEU A 164 -0.848 -17.597 4.314 1.00 1.25 H new ATOM 0 HG LEU A 164 -0.078 -14.906 5.438 1.00 1.11 H new ATOM 0 HD11 LEU A 164 -2.028 -15.284 6.886 1.00 1.48 H new ATOM 0 HD12 LEU A 164 -2.459 -15.317 5.160 1.00 1.48 H new ATOM 0 HD13 LEU A 164 -2.325 -16.839 6.073 1.00 1.48 H new ATOM 0 HD21 LEU A 164 0.240 -15.976 7.629 1.00 0.99 H new ATOM 0 HD22 LEU A 164 0.092 -17.576 6.864 1.00 0.99 H new ATOM 0 HD23 LEU A 164 1.453 -16.510 6.441 1.00 0.99 H new ATOM 2486 N GLU A 165 0.830 -19.092 2.645 1.00 3.05 N ATOM 2487 CA GLU A 165 0.840 -19.923 1.454 1.00 3.55 C ATOM 2488 C GLU A 165 0.103 -19.221 0.311 1.00 4.40 C ATOM 2489 O GLU A 165 -0.612 -18.245 0.535 1.00 5.43 O ATOM 2490 CB GLU A 165 0.228 -21.296 1.737 1.00 5.54 C ATOM 2491 CG GLU A 165 -1.277 -21.186 1.984 1.00 7.29 C ATOM 2492 CD GLU A 165 -1.837 -22.492 2.552 1.00 9.02 C ATOM 2493 OE1 GLU A 165 -1.782 -22.642 3.791 1.00 9.66 O ATOM 2494 OE2 GLU A 165 -2.309 -23.311 1.733 1.00 10.07 O ATOM 0 H GLU A 165 0.415 -19.530 3.467 1.00 3.05 H new ATOM 0 HA GLU A 165 1.876 -20.078 1.153 1.00 3.55 H new ATOM 0 HB2 GLU A 165 0.414 -21.961 0.894 1.00 5.54 H new ATOM 0 HB3 GLU A 165 0.711 -21.741 2.607 1.00 5.54 H new ATOM 0 HG2 GLU A 165 -1.476 -20.369 2.677 1.00 7.29 H new ATOM 0 HG3 GLU A 165 -1.785 -20.944 1.051 1.00 7.29 H new TER 2501 GLU A 165 HETATM 2502 N DAL B 201 -8.862 17.699 -5.268 1.00 2.01 N HETATM 2503 CA DAL B 201 -9.565 16.474 -5.609 1.00 1.86 C HETATM 2504 CB DAL B 201 -11.073 16.692 -5.458 1.00 1.93 C HETATM 2505 C DAL B 201 -9.050 15.334 -4.727 1.00 1.64 C HETATM 2506 O DAL B 201 -8.462 15.576 -3.675 1.00 1.65 O HETATM 0 HB3 DAL B 201 -11.300 16.966 -4.428 1.00 1.93 H new HETATM 0 HB2 DAL B 201 -11.394 17.492 -6.125 1.00 1.93 H new HETATM 0 HB1 DAL B 201 -11.601 15.773 -5.714 1.00 1.93 H new HETATM 0 HA DAL B 201 -9.377 16.199 -6.647 1.00 1.86 H new HETATM 0 H DAL B 201 -9.387 18.526 -4.983 1.00 2.01 H new HETATM 2512 N MLE B 202 -9.290 14.116 -5.191 1.00 1.50 N HETATM 2513 CN MLE B 202 -10.106 13.777 -6.770 1.00 1.63 C HETATM 2514 CA MLE B 202 -8.901 12.938 -4.434 1.00 1.30 C HETATM 2515 CB MLE B 202 -10.137 12.164 -3.974 1.00 1.26 C HETATM 2516 CG MLE B 202 -10.788 12.651 -2.677 1.00 1.34 C HETATM 2517 CD1 MLE B 202 -9.760 12.743 -1.548 1.00 2.20 C HETATM 2518 CD2 MLE B 202 -11.521 13.976 -2.896 1.00 2.00 C HETATM 2519 C MLE B 202 -7.927 12.102 -5.268 1.00 1.17 C HETATM 2520 O MLE B 202 -8.313 11.090 -5.849 1.00 1.12 O HETATM 0 HD23 MLE B 202 -10.813 14.731 -3.237 1.00 2.00 H new HETATM 0 HD22 MLE B 202 -12.298 13.842 -3.648 1.00 2.00 H new HETATM 0 HD21 MLE B 202 -11.975 14.300 -1.959 1.00 2.00 H new HETATM 0 HD13 MLE B 202 -9.324 11.760 -1.372 1.00 2.20 H new HETATM 0 HD12 MLE B 202 -8.973 13.444 -1.828 1.00 2.20 H new HETATM 0 HD11 MLE B 202 -10.249 13.091 -0.638 1.00 2.20 H new HETATM 0 HN3 MLE B 202 -9.436 13.203 -7.410 1.00 1.63 H new HETATM 0 HN2 MLE B 202 -11.017 13.205 -6.593 1.00 1.63 H new HETATM 0 HN1 MLE B 202 -10.357 14.718 -7.259 1.00 1.63 H new HETATM 0 HG MLE B 202 -11.534 11.917 -2.372 1.00 1.34 H new HETATM 0 HB3 MLE B 202 -10.882 12.203 -4.768 1.00 1.26 H new HETATM 0 HB2 MLE B 202 -9.860 11.117 -3.848 1.00 1.26 H new HETATM 0 HA MLE B 202 -8.377 13.226 -3.523 1.00 1.30 H new HETATM 2531 N MLE B 203 -6.683 12.557 -5.299 1.00 1.16 N HETATM 2532 CN MLE B 203 -6.147 14.093 -4.506 1.00 1.29 C HETATM 2533 CA MLE B 203 -5.636 11.827 -5.993 1.00 1.08 C HETATM 2534 CB MLE B 203 -4.893 12.748 -6.962 1.00 1.05 C HETATM 2535 CG MLE B 203 -5.767 13.662 -7.822 1.00 1.03 C HETATM 2536 CD1 MLE B 203 -4.929 14.392 -8.873 1.00 1.01 C HETATM 2537 CD2 MLE B 203 -6.924 12.883 -8.451 1.00 0.98 C HETATM 2538 C MLE B 203 -4.726 11.149 -4.967 1.00 1.15 C HETATM 2539 O MLE B 203 -4.686 11.552 -3.805 1.00 1.32 O HETATM 0 HD23 MLE B 203 -6.527 12.087 -9.081 1.00 0.98 H new HETATM 0 HD22 MLE B 203 -7.541 12.450 -7.664 1.00 0.98 H new HETATM 0 HD21 MLE B 203 -7.529 13.557 -9.057 1.00 0.98 H new HETATM 0 HD13 MLE B 203 -4.171 14.999 -8.377 1.00 1.01 H new HETATM 0 HD12 MLE B 203 -4.443 13.663 -9.521 1.00 1.01 H new HETATM 0 HD11 MLE B 203 -5.575 15.035 -9.471 1.00 1.01 H new HETATM 0 HN3 MLE B 203 -5.378 13.871 -3.766 1.00 1.29 H new HETATM 0 HN2 MLE B 203 -5.742 14.769 -5.259 1.00 1.29 H new HETATM 0 HN1 MLE B 203 -6.998 14.565 -4.015 1.00 1.29 H new HETATM 0 HG MLE B 203 -6.205 14.422 -7.175 1.00 1.03 H new HETATM 0 HB3 MLE B 203 -4.207 13.370 -6.387 1.00 1.05 H new HETATM 0 HB2 MLE B 203 -4.285 12.131 -7.624 1.00 1.05 H new HETATM 0 HA MLE B 203 -6.066 11.037 -6.608 1.00 1.08 H new HETATM 2550 N MVA B 204 -4.017 10.132 -5.433 1.00 1.04 N HETATM 2551 CN MVA B 204 -4.055 9.576 -7.155 1.00 0.91 C HETATM 2552 CA MVA B 204 -3.134 9.374 -4.563 1.00 1.10 C HETATM 2553 CB MVA B 204 -3.711 7.979 -4.318 1.00 1.11 C HETATM 2554 CG1 MVA B 204 -3.015 7.296 -3.141 1.00 1.32 C HETATM 2555 CG2 MVA B 204 -5.225 8.043 -4.098 1.00 1.08 C HETATM 2556 C MVA B 204 -1.730 9.341 -5.171 1.00 1.08 C HETATM 2557 O MVA B 204 -1.332 8.344 -5.771 1.00 1.02 O HETATM 0 HG23 MVA B 204 -5.441 8.668 -3.231 1.00 1.08 H new HETATM 0 HG22 MVA B 204 -5.703 8.469 -4.980 1.00 1.08 H new HETATM 0 HG21 MVA B 204 -5.610 7.038 -3.926 1.00 1.08 H new HETATM 0 HG13 MVA B 204 -1.950 7.201 -3.353 1.00 1.32 H new HETATM 0 HG12 MVA B 204 -3.153 7.894 -2.240 1.00 1.32 H new HETATM 0 HG11 MVA B 204 -3.445 6.306 -2.989 1.00 1.32 H new HETATM 0 HN3 MVA B 204 -3.055 9.650 -7.583 1.00 0.91 H new HETATM 0 HN2 MVA B 204 -4.391 8.540 -7.195 1.00 0.91 H new HETATM 0 HN1 MVA B 204 -4.741 10.203 -7.725 1.00 0.91 H new HETATM 0 HB MVA B 204 -3.526 7.379 -5.209 1.00 1.11 H new HETATM 0 HA MVA B 204 -3.055 9.855 -3.588 1.00 1.10 H new HETATM 2566 N BMT B 205 -1.060 10.533 -5.177 1.00 1.21 N HETATM 2567 CN BMT B 205 -1.411 11.763 -3.896 1.00 1.39 C HETATM 2568 CA BMT B 205 0.297 10.557 -5.695 1.00 1.23 C HETATM 2569 C BMT B 205 1.307 10.610 -4.547 1.00 1.36 C HETATM 2570 O BMT B 205 0.953 10.373 -3.394 1.00 1.44 O HETATM 2571 CB BMT B 205 0.414 11.739 -6.661 1.00 1.29 C HETATM 2572 OG1 BMT B 205 0.530 12.875 -5.807 1.00 1.29 O HETATM 2573 CG2 BMT B 205 -0.881 11.989 -7.438 1.00 1.39 C HETATM 2574 CD1 BMT B 205 -1.168 10.820 -8.383 1.00 1.37 C HETATM 2575 CD2 BMT B 205 -0.977 13.306 -8.083 1.00 1.81 C HETATM 2576 CE BMT B 205 0.207 13.800 -8.765 1.00 1.61 C HETATM 2577 CZ BMT B 205 1.051 14.696 -8.443 1.00 1.97 C HETATM 2578 CH BMT B 205 2.238 15.243 -9.196 1.00 1.83 C HETATM 0 HD23 BMT B 205 -1.792 13.269 -8.806 1.00 1.81 H new HETATM 0 HD22 BMT B 205 -1.257 14.035 -7.323 1.00 1.81 H new HETATM 0 HD13 BMT B 205 -0.345 10.713 -9.089 1.00 1.37 H new HETATM 0 HD12 BMT B 205 -1.272 9.902 -7.805 1.00 1.37 H new HETATM 0 HD11 BMT B 205 -2.092 11.012 -8.929 1.00 1.37 H new HETATM 0 HZ BMT B 205 0.890 15.142 -7.461 1.00 1.97 H new HETATM 0 HN3 BMT B 205 -0.749 11.601 -3.045 1.00 1.39 H new HETATM 0 HN2 BMT B 205 -1.248 12.763 -4.297 1.00 1.39 H new HETATM 0 HN1 BMT B 205 -2.448 11.666 -3.573 1.00 1.39 H new HETATM 0 HH3 BMT B 205 2.942 14.436 -9.401 1.00 1.83 H new HETATM 0 HH2 BMT B 205 1.902 15.680 -10.137 1.00 1.83 H new HETATM 0 HH1 BMT B 205 2.729 16.009 -8.595 1.00 1.83 H new HETATM 0 HG2 BMT B 205 -1.680 12.031 -6.698 1.00 1.39 H new HETATM 0 HG1 BMT B 205 -0.311 13.377 -5.815 1.00 1.29 H new HETATM 0 HE BMT B 205 0.408 13.318 -9.722 1.00 1.61 H new HETATM 0 HB BMT B 205 1.229 11.557 -7.361 1.00 1.29 H new HETATM 0 HA BMT B 205 0.525 9.644 -6.245 1.00 1.23 H new HETATM 2593 N ABA B 206 2.544 10.922 -4.903 1.00 1.43 N HETATM 2594 CA ABA B 206 3.645 10.805 -3.962 1.00 1.55 C HETATM 2595 C ABA B 206 4.571 12.018 -4.072 1.00 1.72 C HETATM 2596 O ABA B 206 5.644 11.933 -4.668 1.00 1.82 O HETATM 2597 CB ABA B 206 4.353 9.474 -4.225 1.00 1.55 C HETATM 2598 CG ABA B 206 3.378 8.298 -4.307 1.00 1.60 C HETATM 0 HG3 ABA B 206 2.671 8.468 -5.119 1.00 1.60 H new HETATM 0 HG2 ABA B 206 2.835 8.209 -3.366 1.00 1.60 H new HETATM 0 HG1 ABA B 206 3.932 7.378 -4.495 1.00 1.60 H new HETATM 0 HB3 ABA B 206 5.076 9.288 -3.431 1.00 1.55 H new HETATM 0 HB2 ABA B 206 4.914 9.542 -5.157 1.00 1.55 H new HETATM 0 HA ABA B 206 3.287 10.801 -2.933 1.00 1.55 H new HETATM 0 H ABA B 206 2.479 11.737 -5.514 1.00 1.43 H new HETATM 2606 N SAR B 207 4.123 13.119 -3.487 1.00 1.79 N HETATM 2607 CA SAR B 207 4.947 14.361 -3.454 1.00 1.98 C HETATM 2608 C SAR B 207 4.261 15.737 -3.404 1.00 2.02 C HETATM 2609 O SAR B 207 4.567 16.681 -2.690 1.00 2.27 O HETATM 2610 CN SAR B 207 2.446 13.022 -2.727 1.00 1.70 C HETATM 0 HN3 SAR B 207 2.518 13.232 -1.660 1.00 1.70 H new HETATM 0 HN2 SAR B 207 1.790 13.755 -3.197 1.00 1.70 H new HETATM 0 HN1 SAR B 207 2.037 12.022 -2.874 1.00 1.70 H new HETATM 0 HA3 SAR B 207 5.601 14.293 -2.585 1.00 1.98 H new HETATM 0 HA2 SAR B 207 5.587 14.349 -4.336 1.00 1.98 H new HETATM 2613 N MLE B 208 3.237 15.883 -4.232 1.00 1.80 N HETATM 2614 CN MLE B 208 2.554 14.881 -5.576 1.00 1.43 C HETATM 2615 CA MLE B 208 2.534 17.128 -3.975 1.00 1.95 C HETATM 2616 CB MLE B 208 3.231 18.292 -4.682 1.00 2.06 C HETATM 2617 CG MLE B 208 2.366 19.524 -4.957 1.00 3.06 C HETATM 2618 CD1 MLE B 208 1.830 20.120 -3.654 1.00 4.85 C HETATM 2619 CD2 MLE B 208 3.131 20.557 -5.787 1.00 3.05 C HETATM 2620 C MLE B 208 1.062 16.967 -4.360 1.00 1.80 C HETATM 2621 O MLE B 208 0.708 17.078 -5.533 1.00 1.72 O HETATM 0 HD23 MLE B 208 4.023 20.871 -5.245 1.00 3.05 H new HETATM 0 HD22 MLE B 208 3.422 20.115 -6.740 1.00 3.05 H new HETATM 0 HD21 MLE B 208 2.494 21.422 -5.968 1.00 3.05 H new HETATM 0 HD13 MLE B 208 1.224 19.377 -3.136 1.00 4.85 H new HETATM 0 HD12 MLE B 208 2.665 20.415 -3.018 1.00 4.85 H new HETATM 0 HD11 MLE B 208 1.219 20.994 -3.878 1.00 4.85 H new HETATM 0 HN3 MLE B 208 1.523 14.614 -5.343 1.00 1.43 H new HETATM 0 HN2 MLE B 208 2.581 15.451 -6.505 1.00 1.43 H new HETATM 0 HN1 MLE B 208 3.147 13.973 -5.691 1.00 1.43 H new HETATM 0 HG MLE B 208 1.504 19.211 -5.546 1.00 3.06 H new HETATM 0 HB3 MLE B 208 4.085 18.599 -4.078 1.00 2.06 H new HETATM 0 HB2 MLE B 208 3.626 17.931 -5.631 1.00 2.06 H new HETATM 0 HA MLE B 208 2.561 17.368 -2.912 1.00 1.95 H new ATOM 2632 N VAL B 209 0.244 16.707 -3.351 1.00 1.92 N ATOM 2633 CA VAL B 209 -1.158 16.409 -3.582 1.00 1.81 C ATOM 2634 C VAL B 209 -1.870 17.671 -4.073 1.00 1.91 C ATOM 2635 O VAL B 209 -1.620 18.765 -3.569 1.00 2.13 O ATOM 2636 CB VAL B 209 -1.785 15.824 -2.314 1.00 1.95 C ATOM 2637 CG1 VAL B 209 -3.236 15.405 -2.563 1.00 1.85 C ATOM 2638 CG2 VAL B 209 -0.958 14.651 -1.785 1.00 1.96 C ATOM 0 H VAL B 209 0.526 16.697 -2.371 1.00 1.92 H new ATOM 0 HA VAL B 209 -1.264 15.653 -4.360 1.00 1.81 H new ATOM 0 HB VAL B 209 -1.788 16.603 -1.551 1.00 1.95 H new ATOM 0 HG11 VAL B 209 -3.658 14.993 -1.646 1.00 1.85 H new ATOM 0 HG12 VAL B 209 -3.818 16.274 -2.872 1.00 1.85 H new ATOM 0 HG13 VAL B 209 -3.267 14.650 -3.348 1.00 1.85 H new ATOM 0 HG21 VAL B 209 -1.425 14.254 -0.884 1.00 1.96 H new ATOM 0 HG22 VAL B 209 -0.909 13.869 -2.543 1.00 1.96 H new ATOM 0 HG23 VAL B 209 0.050 14.993 -1.551 1.00 1.96 H new HETATM 2648 N MLE B 210 -2.743 17.478 -5.050 1.00 1.81 N HETATM 2649 CN MLE B 210 -3.117 15.859 -5.768 1.00 1.59 C HETATM 2650 CA MLE B 210 -3.479 18.589 -5.628 1.00 1.96 C HETATM 2651 CB MLE B 210 -3.265 18.646 -7.142 1.00 1.94 C HETATM 2652 CG MLE B 210 -1.852 18.323 -7.633 1.00 1.89 C HETATM 2653 CD1 MLE B 210 -1.833 18.104 -9.146 1.00 1.92 C HETATM 2654 CD2 MLE B 210 -0.861 19.404 -7.198 1.00 2.01 C HETATM 2655 C MLE B 210 -4.950 18.491 -5.218 1.00 2.01 C HETATM 2656 O MLE B 210 -5.317 17.634 -4.416 1.00 1.93 O HETATM 0 HD23 MLE B 210 -1.165 20.365 -7.614 1.00 2.01 H new HETATM 0 HD22 MLE B 210 -0.847 19.468 -6.110 1.00 2.01 H new HETATM 0 HD21 MLE B 210 0.136 19.151 -7.559 1.00 2.01 H new HETATM 0 HD13 MLE B 210 -2.490 17.272 -9.402 1.00 1.92 H new HETATM 0 HD12 MLE B 210 -2.179 19.007 -9.649 1.00 1.92 H new HETATM 0 HD11 MLE B 210 -0.817 17.876 -9.468 1.00 1.92 H new HETATM 0 HN3 MLE B 210 -4.175 15.637 -5.633 1.00 1.59 H new HETATM 0 HN2 MLE B 210 -2.882 15.870 -6.832 1.00 1.59 H new HETATM 0 HN1 MLE B 210 -2.519 15.094 -5.272 1.00 1.59 H new HETATM 0 HG MLE B 210 -1.535 17.389 -7.169 1.00 1.89 H new HETATM 0 HB3 MLE B 210 -3.960 17.951 -7.613 1.00 1.94 H new HETATM 0 HB2 MLE B 210 -3.529 19.645 -7.489 1.00 1.94 H new HETATM 0 HA MLE B 210 -3.103 19.536 -5.241 1.00 1.96 H new ATOM 2667 N ALA B 211 -5.751 19.378 -5.788 1.00 2.17 N ATOM 2668 CA ALA B 211 -7.172 19.404 -5.488 1.00 2.25 C ATOM 2669 C ALA B 211 -7.815 18.103 -5.972 1.00 2.05 C ATOM 2670 O ALA B 211 -7.360 17.508 -6.949 1.00 1.99 O ATOM 2671 CB ALA B 211 -7.807 20.640 -6.127 1.00 2.52 C ATOM 0 H ALA B 211 -5.443 20.084 -6.456 1.00 2.17 H new ATOM 0 HA ALA B 211 -7.335 19.473 -4.412 1.00 2.25 H new ATOM 0 HB1 ALA B 211 -8.873 20.659 -5.902 1.00 2.52 H new ATOM 0 HB2 ALA B 211 -7.336 21.538 -5.728 1.00 2.52 H new ATOM 0 HB3 ALA B 211 -7.665 20.605 -7.207 1.00 2.52 H new TER 2677 ALA B 211