USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 HIS : no HD1:sc= -0.853 X(o=-1.6,f=-1.3) USER MOD Set 1.2: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 64 HIS : no HD1:sc= -0.7 X(o=-1.6,f=-1.3) USER MOD Set 2.1: A 20 CYS SG : rot 170:sc= -1.31 USER MOD Set 2.2: A 42 CYS SG : rot 180:sc= -0.112 USER MOD Set 3.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 84 LYS NZ :NH3+ -154:sc= -0.23 (180deg=-0.984) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 150:sc= -0.69 USER MOD Single : A 5 ASN :FLIP amide:sc= -2.46 F(o=-5.1!,f=-2.5) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.869 F(o=-1.5,f=-0.87) USER MOD Single : A 16 LYS NZ :NH3+ -108:sc= 0.403 (180deg=0) USER MOD Single : A 17 SER OG : rot 81:sc= 0.061 USER MOD Single : A 18 LYS NZ :NH3+ -124:sc= -0.0221 (180deg=-0.3) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -4.99! C(o=-5!,f=-5.9!) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 153:sc= -0.138 (180deg=-1.05) USER MOD Single : A 52 ASN : amide:sc= -2.2! C(o=-2.2!,f=-3.1!) USER MOD Single : A 53 MET CE :methyl -131:sc= -0.906 (180deg=-6.11!) USER MOD Single : A 54 MET CE :methyl -171:sc= 0 (180deg=-0.132) USER MOD Single : A 59 LYS NZ :NH3+ 144:sc= 0.365 (180deg=-1.36!) USER MOD Single : A 65 ASN :FLIP amide:sc= -0.0698 F(o=-0.75,f=-0.07) USER MOD Single : A 70 HIS :FLIP no HD1:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.4!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0159 X(o=-0.016,f=-0.0058) USER MOD Single : A 80 ASN :FLIP amide:sc= -1.92 F(o=-2.8,f=-1.9) USER MOD Single : A 85 ASN : amide:sc= -3.8! C(o=-3.8!,f=-7.8!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ -161:sc= -0.489 (180deg=-1.29) USER MOD Single : A 103 LYS NZ :NH3+ -129:sc= -0.896 (180deg=-1.98!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.374 15.760 -6.733 1.00 0.00 N ATOM 2 CA MET A 1 5.531 15.746 -5.856 1.00 0.00 C ATOM 3 C MET A 1 5.655 14.405 -5.130 1.00 0.00 C ATOM 4 O MET A 1 6.663 13.713 -5.264 1.00 0.00 O ATOM 5 CB MET A 1 5.407 16.874 -4.828 1.00 0.00 C ATOM 6 CG MET A 1 5.900 18.201 -5.407 1.00 0.00 C ATOM 7 SD MET A 1 4.527 19.322 -5.616 1.00 0.00 S ATOM 8 CE MET A 1 4.861 19.917 -7.266 1.00 0.00 C ATOM 0 H1 MET A 1 4.313 16.681 -7.213 1.00 0.00 H new ATOM 0 H2 MET A 1 4.467 15.005 -7.442 1.00 0.00 H new ATOM 0 H3 MET A 1 3.512 15.604 -6.173 1.00 0.00 H new ATOM 0 HA MET A 1 6.424 15.892 -6.463 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.367 16.973 -4.516 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.985 16.625 -3.938 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.644 18.643 -4.744 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.390 18.030 -6.366 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.093 20.633 -7.557 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.837 20.403 -7.287 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.858 19.079 -7.963 1.00 0.00 H new ATOM 16 N SER A 2 4.615 14.078 -4.378 1.00 0.00 N ATOM 17 CA SER A 2 4.593 12.831 -3.631 1.00 0.00 C ATOM 18 C SER A 2 3.198 12.207 -3.696 1.00 0.00 C ATOM 19 O SER A 2 2.196 12.897 -3.519 1.00 0.00 O ATOM 20 CB SER A 2 5.008 13.055 -2.175 1.00 0.00 C ATOM 21 OG SER A 2 5.322 14.419 -1.912 1.00 0.00 O ATOM 0 H SER A 2 3.781 14.655 -4.269 1.00 0.00 H new ATOM 0 HA SER A 2 5.311 12.147 -4.084 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.201 12.735 -1.515 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.873 12.433 -1.945 1.00 0.00 H new ATOM 0 HG SER A 2 5.114 14.628 -0.977 1.00 0.00 H new ATOM 26 N GLU A 3 3.178 10.906 -3.949 1.00 0.00 N ATOM 27 CA GLU A 3 1.923 10.180 -4.039 1.00 0.00 C ATOM 28 C GLU A 3 2.088 8.764 -3.484 1.00 0.00 C ATOM 29 O GLU A 3 2.941 8.007 -3.946 1.00 0.00 O ATOM 30 CB GLU A 3 1.411 10.148 -5.480 1.00 0.00 C ATOM 31 CG GLU A 3 2.554 9.889 -6.463 1.00 0.00 C ATOM 32 CD GLU A 3 2.458 10.819 -7.675 1.00 0.00 C ATOM 33 OE1 GLU A 3 3.490 11.255 -8.206 1.00 0.00 O ATOM 34 OE2 GLU A 3 1.256 11.083 -8.064 1.00 0.00 O ATOM 0 H GLU A 3 4.011 10.336 -4.094 1.00 0.00 H new ATOM 0 HA GLU A 3 1.180 10.701 -3.436 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.654 9.370 -5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.929 11.096 -5.719 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.510 10.037 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.525 8.851 -6.794 1.00 0.00 H new ATOM 40 N VAL A 4 1.257 8.448 -2.501 1.00 0.00 N ATOM 41 CA VAL A 4 1.300 7.136 -1.878 1.00 0.00 C ATOM 42 C VAL A 4 -0.009 6.398 -2.164 1.00 0.00 C ATOM 43 O VAL A 4 -1.062 6.770 -1.647 1.00 0.00 O ATOM 44 CB VAL A 4 1.594 7.276 -0.383 1.00 0.00 C ATOM 45 CG1 VAL A 4 0.433 7.960 0.342 1.00 0.00 C ATOM 46 CG2 VAL A 4 1.907 5.916 0.244 1.00 0.00 C ATOM 0 H VAL A 4 0.550 9.078 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 4 2.109 6.539 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 4 2.476 7.907 -0.273 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.667 8.047 1.403 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.277 8.954 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.473 7.367 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.112 6.044 1.307 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.052 5.251 0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.780 5.482 -0.244 1.00 0.00 H new ATOM 56 N ASN A 5 0.099 5.365 -2.986 1.00 0.00 N ATOM 57 CA ASN A 5 -1.063 4.571 -3.347 1.00 0.00 C ATOM 58 C ASN A 5 -0.744 3.088 -3.147 1.00 0.00 C ATOM 59 O ASN A 5 0.304 2.611 -3.578 1.00 0.00 O ATOM 60 CB ASN A 5 -1.440 4.780 -4.814 1.00 0.00 C ATOM 61 CG ASN A 5 -0.234 4.552 -5.728 1.00 0.00 C ATOM 62 OD1 ASN A 5 -0.025 3.276 -6.038 1.00 0.00 O flip ATOM 63 ND2 ASN A 5 0.459 5.474 -6.125 1.00 0.00 N flip ATOM 0 H ASN A 5 0.974 5.059 -3.413 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.894 4.883 -2.714 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.243 4.096 -5.088 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -1.821 5.791 -4.955 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.242 6.431 -5.848 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.256 5.288 -6.734 1.00 0.00 H new ATOM 69 N ILE A 6 -1.669 2.399 -2.493 1.00 0.00 N ATOM 70 CA ILE A 6 -1.499 0.980 -2.232 1.00 0.00 C ATOM 71 C ILE A 6 -2.851 0.275 -2.369 1.00 0.00 C ATOM 72 O ILE A 6 -3.833 0.685 -1.753 1.00 0.00 O ATOM 73 CB ILE A 6 -0.827 0.761 -0.875 1.00 0.00 C ATOM 74 CG1 ILE A 6 0.615 0.280 -1.048 1.00 0.00 C ATOM 75 CG2 ILE A 6 -1.648 -0.190 -0.002 1.00 0.00 C ATOM 76 CD1 ILE A 6 1.595 1.454 -0.997 1.00 0.00 C ATOM 0 H ILE A 6 -2.538 2.797 -2.137 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.830 0.535 -2.969 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.787 1.719 -0.356 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.860 -0.437 -0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.716 -0.242 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.147 -0.328 0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.639 0.232 0.164 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.743 -1.153 -0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.613 1.084 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.363 2.157 -1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.508 1.959 -0.035 1.00 0.00 H new ATOM 87 N VAL A 7 -2.855 -0.772 -3.180 1.00 0.00 N ATOM 88 CA VAL A 7 -4.070 -1.538 -3.405 1.00 0.00 C ATOM 89 C VAL A 7 -3.797 -3.016 -3.117 1.00 0.00 C ATOM 90 O VAL A 7 -2.897 -3.611 -3.706 1.00 0.00 O ATOM 91 CB VAL A 7 -4.588 -1.291 -4.823 1.00 0.00 C ATOM 92 CG1 VAL A 7 -3.583 -1.783 -5.867 1.00 0.00 C ATOM 93 CG2 VAL A 7 -5.956 -1.945 -5.029 1.00 0.00 C ATOM 0 H VAL A 7 -2.038 -1.108 -3.689 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.857 -1.215 -2.724 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.708 -0.215 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.975 -1.596 -6.866 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.639 -1.252 -5.742 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.417 -2.852 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.301 -1.754 -6.045 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.873 -3.020 -4.870 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.670 -1.527 -4.319 1.00 0.00 H new ATOM 103 N VAL A 8 -4.591 -3.565 -2.209 1.00 0.00 N ATOM 104 CA VAL A 8 -4.447 -4.962 -1.836 1.00 0.00 C ATOM 105 C VAL A 8 -5.731 -5.715 -2.187 1.00 0.00 C ATOM 106 O VAL A 8 -6.827 -5.274 -1.844 1.00 0.00 O ATOM 107 CB VAL A 8 -4.076 -5.071 -0.356 1.00 0.00 C ATOM 108 CG1 VAL A 8 -4.087 -6.531 0.105 1.00 0.00 C ATOM 109 CG2 VAL A 8 -2.718 -4.421 -0.081 1.00 0.00 C ATOM 0 H VAL A 8 -5.336 -3.068 -1.721 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.636 -5.426 -2.397 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.829 -4.531 0.219 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.820 -6.581 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.083 -6.950 -0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.366 -7.102 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.479 -4.513 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.949 -4.920 -0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -2.757 -3.367 -0.354 1.00 0.00 H new ATOM 119 N ASN A 9 -5.553 -6.838 -2.867 1.00 0.00 N ATOM 120 CA ASN A 9 -6.685 -7.656 -3.269 1.00 0.00 C ATOM 121 C ASN A 9 -6.558 -9.042 -2.632 1.00 0.00 C ATOM 122 O ASN A 9 -5.634 -9.791 -2.945 1.00 0.00 O ATOM 123 CB ASN A 9 -6.723 -7.837 -4.788 1.00 0.00 C ATOM 124 CG ASN A 9 -7.912 -8.703 -5.207 1.00 0.00 C ATOM 125 OD1 ASN A 9 -7.667 -9.486 -6.255 1.00 0.00 O flip ATOM 126 ND2 ASN A 9 -8.981 -8.664 -4.620 1.00 0.00 N flip ATOM 0 H ASN A 9 -4.643 -7.201 -3.150 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.596 -7.154 -2.943 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.789 -6.863 -5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.795 -8.299 -5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.102 -8.040 -3.822 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.753 -9.255 -4.927 1.00 0.00 H new ATOM 132 N GLY A 10 -7.500 -9.340 -1.750 1.00 0.00 N ATOM 133 CA GLY A 10 -7.507 -10.623 -1.066 1.00 0.00 C ATOM 134 C GLY A 10 -6.272 -10.774 -0.174 1.00 0.00 C ATOM 135 O GLY A 10 -5.820 -11.889 0.082 1.00 0.00 O ATOM 0 H GLY A 10 -8.264 -8.715 -1.493 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.410 -10.712 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.532 -11.430 -1.798 1.00 0.00 H new ATOM 139 N ARG A 11 -5.762 -9.636 0.274 1.00 0.00 N ATOM 140 CA ARG A 11 -4.589 -9.628 1.132 1.00 0.00 C ATOM 141 C ARG A 11 -3.376 -10.171 0.376 1.00 0.00 C ATOM 142 O ARG A 11 -2.777 -11.164 0.787 1.00 0.00 O ATOM 143 CB ARG A 11 -4.819 -10.471 2.387 1.00 0.00 C ATOM 144 CG ARG A 11 -5.222 -9.592 3.573 1.00 0.00 C ATOM 145 CD ARG A 11 -6.434 -10.173 4.301 1.00 0.00 C ATOM 146 NE ARG A 11 -6.106 -11.507 4.849 1.00 0.00 N ATOM 147 CZ ARG A 11 -7.017 -12.475 5.084 1.00 0.00 C ATOM 148 NH1 ARG A 11 -8.324 -12.263 4.820 1.00 0.00 N ATOM 149 NH2 ARG A 11 -6.611 -13.630 5.575 1.00 0.00 N ATOM 0 H ARG A 11 -6.140 -8.713 0.059 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.403 -8.596 1.431 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.598 -11.209 2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.911 -11.022 2.631 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.385 -9.505 4.266 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.452 -8.586 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.739 -9.505 5.107 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.277 -10.250 3.615 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.129 -11.708 5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.629 -11.367 4.440 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.007 -12.999 5.000 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.622 -13.781 5.771 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.287 -14.372 5.758 1.00 0.00 H new ATOM 159 N GLU A 12 -3.048 -9.497 -0.716 1.00 0.00 N ATOM 160 CA GLU A 12 -1.916 -9.900 -1.534 1.00 0.00 C ATOM 161 C GLU A 12 -0.730 -8.962 -1.297 1.00 0.00 C ATOM 162 O GLU A 12 -0.917 -7.775 -1.032 1.00 0.00 O ATOM 163 CB GLU A 12 -2.296 -9.941 -3.015 1.00 0.00 C ATOM 164 CG GLU A 12 -1.139 -10.471 -3.864 1.00 0.00 C ATOM 165 CD GLU A 12 -0.904 -11.960 -3.604 1.00 0.00 C ATOM 166 OE1 GLU A 12 -1.661 -12.583 -2.844 1.00 0.00 O ATOM 167 OE2 GLU A 12 0.105 -12.470 -4.225 1.00 0.00 O ATOM 0 H GLU A 12 -3.546 -8.674 -1.054 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.621 -10.908 -1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.172 -10.575 -3.152 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.570 -8.941 -3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.356 -10.313 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.231 -9.911 -3.638 1.00 0.00 H new ATOM 173 N ALA A 13 0.463 -9.530 -1.402 1.00 0.00 N ATOM 174 CA ALA A 13 1.678 -8.759 -1.203 1.00 0.00 C ATOM 175 C ALA A 13 2.754 -9.254 -2.172 1.00 0.00 C ATOM 176 O ALA A 13 2.817 -10.443 -2.481 1.00 0.00 O ATOM 177 CB ALA A 13 2.116 -8.865 0.259 1.00 0.00 C ATOM 0 H ALA A 13 0.614 -10.515 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 13 1.503 -7.704 -1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.028 -8.287 0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 13 1.329 -8.475 0.904 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.304 -9.909 0.508 1.00 0.00 H new ATOM 183 N GLY A 14 3.575 -8.317 -2.624 1.00 0.00 N ATOM 184 CA GLY A 14 4.645 -8.642 -3.550 1.00 0.00 C ATOM 185 C GLY A 14 6.010 -8.540 -2.869 1.00 0.00 C ATOM 186 O GLY A 14 6.966 -9.193 -3.285 1.00 0.00 O ATOM 0 H GLY A 14 3.520 -7.332 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.502 -9.651 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.609 -7.966 -4.404 1.00 0.00 H new ATOM 190 N SER A 15 6.058 -7.716 -1.832 1.00 0.00 N ATOM 191 CA SER A 15 7.292 -7.521 -1.088 1.00 0.00 C ATOM 192 C SER A 15 7.207 -8.233 0.262 1.00 0.00 C ATOM 193 O SER A 15 6.194 -8.858 0.576 1.00 0.00 O ATOM 194 CB SER A 15 7.582 -6.032 -0.886 1.00 0.00 C ATOM 195 OG SER A 15 6.901 -5.221 -1.838 1.00 0.00 O ATOM 0 H SER A 15 5.263 -7.176 -1.490 1.00 0.00 H new ATOM 0 HA SER A 15 8.112 -7.949 -1.665 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.283 -5.738 0.120 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.655 -5.858 -0.964 1.00 0.00 H new ATOM 0 HG SER A 15 7.111 -4.278 -1.674 1.00 0.00 H new ATOM 200 N LYS A 16 8.283 -8.116 1.025 1.00 0.00 N ATOM 201 CA LYS A 16 8.343 -8.742 2.336 1.00 0.00 C ATOM 202 C LYS A 16 7.771 -7.783 3.381 1.00 0.00 C ATOM 203 O LYS A 16 7.975 -7.971 4.580 1.00 0.00 O ATOM 204 CB LYS A 16 9.768 -9.207 2.643 1.00 0.00 C ATOM 205 CG LYS A 16 9.863 -10.735 2.619 1.00 0.00 C ATOM 206 CD LYS A 16 10.041 -11.251 1.190 1.00 0.00 C ATOM 207 CE LYS A 16 8.776 -11.962 0.704 1.00 0.00 C ATOM 208 NZ LYS A 16 8.852 -13.411 0.995 1.00 0.00 N ATOM 0 H LYS A 16 9.121 -7.597 0.761 1.00 0.00 H new ATOM 0 HA LYS A 16 7.727 -9.641 2.357 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.458 -8.785 1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.073 -8.835 3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.702 -11.060 3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.962 -11.166 3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.274 -10.419 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.887 -11.937 1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.900 -11.533 1.191 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.653 -11.806 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.997 -13.936 0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.647 -13.594 1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.965 -13.723 1.441 1.00 0.00 H new ATOM 217 N SER A 17 7.064 -6.776 2.889 1.00 0.00 N ATOM 218 CA SER A 17 6.460 -5.787 3.766 1.00 0.00 C ATOM 219 C SER A 17 5.822 -6.478 4.973 1.00 0.00 C ATOM 220 O SER A 17 5.714 -5.886 6.046 1.00 0.00 O ATOM 221 CB SER A 17 5.417 -4.953 3.019 1.00 0.00 C ATOM 222 OG SER A 17 4.166 -5.628 2.919 1.00 0.00 O ATOM 0 H SER A 17 6.896 -6.624 1.895 1.00 0.00 H new ATOM 0 HA SER A 17 7.243 -5.114 4.113 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.276 -4.003 3.534 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.785 -4.722 2.019 1.00 0.00 H new ATOM 0 HG SER A 17 3.668 -5.520 3.756 1.00 0.00 H new ATOM 227 N LYS A 18 5.417 -7.721 4.757 1.00 0.00 N ATOM 228 CA LYS A 18 4.792 -8.498 5.815 1.00 0.00 C ATOM 229 C LYS A 18 5.666 -8.439 7.068 1.00 0.00 C ATOM 230 O LYS A 18 5.181 -8.655 8.178 1.00 0.00 O ATOM 231 CB LYS A 18 4.502 -9.920 5.333 1.00 0.00 C ATOM 232 CG LYS A 18 3.393 -9.927 4.278 1.00 0.00 C ATOM 233 CD LYS A 18 3.849 -10.649 3.009 1.00 0.00 C ATOM 234 CE LYS A 18 3.790 -12.167 3.190 1.00 0.00 C ATOM 235 NZ LYS A 18 2.384 -12.630 3.236 1.00 0.00 N ATOM 0 H LYS A 18 5.509 -8.209 3.866 1.00 0.00 H new ATOM 0 HA LYS A 18 3.824 -8.073 6.081 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.409 -10.358 4.915 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.208 -10.541 6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.506 -10.416 4.681 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.110 -8.903 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.217 -10.354 2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.867 -10.348 2.761 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.314 -12.658 2.370 1.00 0.00 H new ATOM 0 HE3 LYS A 18 4.302 -12.450 4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.221 -13.159 4.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.747 -11.809 3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.195 -13.248 2.421 1.00 0.00 H new ATOM 244 N GLY A 19 6.940 -8.148 6.850 1.00 0.00 N ATOM 245 CA GLY A 19 7.886 -8.059 7.949 1.00 0.00 C ATOM 246 C GLY A 19 7.831 -6.680 8.611 1.00 0.00 C ATOM 247 O GLY A 19 6.881 -6.370 9.328 1.00 0.00 O ATOM 0 H GLY A 19 7.339 -7.971 5.928 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.664 -8.830 8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.894 -8.250 7.582 1.00 0.00 H new ATOM 251 N CYS A 20 8.861 -5.890 8.345 1.00 0.00 N ATOM 252 CA CYS A 20 8.940 -4.551 8.906 1.00 0.00 C ATOM 253 C CYS A 20 9.174 -3.564 7.761 1.00 0.00 C ATOM 254 O CYS A 20 9.560 -3.961 6.663 1.00 0.00 O ATOM 255 CB CYS A 20 10.028 -4.451 9.977 1.00 0.00 C ATOM 256 SG CYS A 20 9.616 -5.538 11.391 1.00 0.00 S ATOM 0 H CYS A 20 9.647 -6.151 7.749 1.00 0.00 H new ATOM 0 HA CYS A 20 8.004 -4.308 9.408 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.992 -4.738 9.556 1.00 0.00 H new ATOM 0 HB3 CYS A 20 10.122 -3.419 10.316 1.00 0.00 H new ATOM 0 HG CYS A 20 10.637 -5.613 12.193 1.00 0.00 H new ATOM 261 N ALA A 21 8.930 -2.295 8.057 1.00 0.00 N ATOM 262 CA ALA A 21 9.110 -1.248 7.066 1.00 0.00 C ATOM 263 C ALA A 21 10.560 -1.256 6.579 1.00 0.00 C ATOM 264 O ALA A 21 10.822 -1.071 5.392 1.00 0.00 O ATOM 265 CB ALA A 21 8.704 0.099 7.667 1.00 0.00 C ATOM 0 H ALA A 21 8.609 -1.969 8.969 1.00 0.00 H new ATOM 0 HA ALA A 21 8.471 -1.425 6.201 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.839 0.885 6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.658 0.062 7.970 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.326 0.312 8.537 1.00 0.00 H new ATOM 271 N LEU A 22 11.466 -1.472 7.522 1.00 0.00 N ATOM 272 CA LEU A 22 12.884 -1.506 7.204 1.00 0.00 C ATOM 273 C LEU A 22 13.379 -2.952 7.257 1.00 0.00 C ATOM 274 O LEU A 22 14.120 -3.390 6.379 1.00 0.00 O ATOM 275 CB LEU A 22 13.660 -0.555 8.119 1.00 0.00 C ATOM 276 CG LEU A 22 15.152 -0.401 7.813 1.00 0.00 C ATOM 277 CD1 LEU A 22 15.380 -0.108 6.330 1.00 0.00 C ATOM 278 CD2 LEU A 22 15.788 0.662 8.712 1.00 0.00 C ATOM 0 H LEU A 22 11.246 -1.625 8.506 1.00 0.00 H new ATOM 0 HA LEU A 22 13.057 -1.147 6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 22 13.195 0.429 8.066 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.554 -0.903 9.146 1.00 0.00 H new ATOM 0 HG LEU A 22 15.646 -1.347 8.033 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.448 -0.003 6.140 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.984 -0.929 5.732 1.00 0.00 H new ATOM 0 HD13 LEU A 22 14.871 0.817 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.848 0.752 8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 22 15.296 1.620 8.546 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.673 0.371 9.756 1.00 0.00 H new ATOM 289 N CYS A 23 12.951 -3.654 8.297 1.00 0.00 N ATOM 290 CA CYS A 23 13.342 -5.042 8.475 1.00 0.00 C ATOM 291 C CYS A 23 12.306 -5.925 7.779 1.00 0.00 C ATOM 292 O CYS A 23 11.187 -5.488 7.516 1.00 0.00 O ATOM 293 CB CYS A 23 13.496 -5.400 9.955 1.00 0.00 C ATOM 294 SG CYS A 23 15.196 -5.023 10.516 1.00 0.00 S ATOM 0 H CYS A 23 12.337 -3.287 9.025 1.00 0.00 H new ATOM 0 HA CYS A 23 14.321 -5.208 8.025 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.775 -4.840 10.550 1.00 0.00 H new ATOM 0 HB3 CYS A 23 13.280 -6.458 10.106 1.00 0.00 H new ATOM 0 HG CYS A 23 15.316 -5.328 11.774 1.00 0.00 H new ATOM 299 N GLY A 24 12.717 -7.154 7.498 1.00 0.00 N ATOM 300 CA GLY A 24 11.838 -8.103 6.837 1.00 0.00 C ATOM 301 C GLY A 24 12.295 -9.542 7.091 1.00 0.00 C ATOM 302 O GLY A 24 12.893 -10.169 6.218 1.00 0.00 O ATOM 0 H GLY A 24 13.646 -7.513 7.716 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.818 -7.972 7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.824 -7.906 5.765 1.00 0.00 H new ATOM 306 N ALA A 25 11.996 -10.021 8.289 1.00 0.00 N ATOM 307 CA ALA A 25 12.368 -11.374 8.668 1.00 0.00 C ATOM 308 C ALA A 25 11.110 -12.239 8.756 1.00 0.00 C ATOM 309 O ALA A 25 11.111 -13.390 8.323 1.00 0.00 O ATOM 310 CB ALA A 25 13.145 -11.339 9.986 1.00 0.00 C ATOM 0 H ALA A 25 11.500 -9.497 9.010 1.00 0.00 H new ATOM 0 HA ALA A 25 13.020 -11.818 7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 25 13.424 -12.353 10.271 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.045 -10.736 9.862 1.00 0.00 H new ATOM 0 HB3 ALA A 25 12.520 -10.902 10.765 1.00 0.00 H new ATOM 316 N THR A 26 10.064 -11.651 9.320 1.00 0.00 N ATOM 317 CA THR A 26 8.801 -12.355 9.471 1.00 0.00 C ATOM 318 C THR A 26 7.907 -12.110 8.254 1.00 0.00 C ATOM 319 O THR A 26 8.046 -11.097 7.570 1.00 0.00 O ATOM 320 CB THR A 26 8.168 -11.910 10.790 1.00 0.00 C ATOM 321 OG1 THR A 26 8.845 -12.681 11.778 1.00 0.00 O ATOM 322 CG2 THR A 26 6.706 -12.347 10.915 1.00 0.00 C ATOM 0 H THR A 26 10.065 -10.696 9.678 1.00 0.00 H new ATOM 0 HA THR A 26 8.950 -13.434 9.513 1.00 0.00 H new ATOM 0 HB THR A 26 8.232 -10.825 10.875 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.497 -12.454 12.665 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.305 -12.006 11.869 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.126 -11.913 10.101 1.00 0.00 H new ATOM 0 HG23 THR A 26 6.646 -13.434 10.864 1.00 0.00 H new ATOM 330 N TRP A 27 7.009 -13.057 8.021 1.00 0.00 N ATOM 331 CA TRP A 27 6.092 -12.957 6.898 1.00 0.00 C ATOM 332 C TRP A 27 4.844 -13.777 7.233 1.00 0.00 C ATOM 333 O TRP A 27 4.943 -14.848 7.829 1.00 0.00 O ATOM 334 CB TRP A 27 6.767 -13.398 5.598 1.00 0.00 C ATOM 335 CG TRP A 27 6.843 -14.916 5.421 1.00 0.00 C ATOM 336 CD1 TRP A 27 6.974 -15.852 6.371 1.00 0.00 C ATOM 337 CD2 TRP A 27 6.788 -15.641 4.174 1.00 0.00 C ATOM 338 NE1 TRP A 27 7.007 -17.121 5.830 1.00 0.00 N ATOM 339 CE2 TRP A 27 6.890 -16.989 4.451 1.00 0.00 C ATOM 340 CE3 TRP A 27 6.654 -15.172 2.855 1.00 0.00 C ATOM 341 CZ2 TRP A 27 6.871 -17.979 3.462 1.00 0.00 C ATOM 342 CZ3 TRP A 27 6.637 -16.174 1.877 1.00 0.00 C ATOM 343 CH2 TRP A 27 6.739 -17.535 2.140 1.00 0.00 C ATOM 0 H TRP A 27 6.897 -13.896 8.590 1.00 0.00 H new ATOM 0 HA TRP A 27 5.794 -11.921 6.734 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.224 -12.971 4.755 1.00 0.00 H new ATOM 0 HB3 TRP A 27 7.776 -12.988 5.567 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.045 -15.640 7.428 1.00 0.00 H new ATOM 0 HE1 TRP A 27 7.100 -17.995 6.347 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.571 -14.122 2.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.954 -19.028 3.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 6.538 -15.868 0.846 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.717 -18.247 1.328 1.00 0.00 H new ATOM 353 N GLY A 28 3.699 -13.242 6.835 1.00 0.00 N ATOM 354 CA GLY A 28 2.433 -13.911 7.085 1.00 0.00 C ATOM 355 C GLY A 28 1.256 -13.035 6.654 1.00 0.00 C ATOM 356 O GLY A 28 1.428 -11.849 6.376 1.00 0.00 O ATOM 0 H GLY A 28 3.621 -12.353 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.404 -14.857 6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.346 -14.148 8.145 1.00 0.00 H new ATOM 360 N ASP A 29 0.084 -13.652 6.613 1.00 0.00 N ATOM 361 CA ASP A 29 -1.122 -12.942 6.222 1.00 0.00 C ATOM 362 C ASP A 29 -1.990 -12.699 7.459 1.00 0.00 C ATOM 363 O ASP A 29 -2.825 -11.797 7.467 1.00 0.00 O ATOM 364 CB ASP A 29 -1.942 -13.762 5.223 1.00 0.00 C ATOM 365 CG ASP A 29 -1.122 -14.663 4.299 1.00 0.00 C ATOM 366 OD1 ASP A 29 -0.904 -15.849 4.590 1.00 0.00 O ATOM 367 OD2 ASP A 29 -0.693 -14.095 3.223 1.00 0.00 O ATOM 0 H ASP A 29 -0.056 -14.636 6.844 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.825 -12.000 5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.648 -14.381 5.777 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.530 -13.078 4.611 1.00 0.00 H new ATOM 372 N TYR A 30 -1.761 -13.520 8.473 1.00 0.00 N ATOM 373 CA TYR A 30 -2.512 -13.405 9.712 1.00 0.00 C ATOM 374 C TYR A 30 -2.511 -11.963 10.222 1.00 0.00 C ATOM 375 O TYR A 30 -3.440 -11.542 10.910 1.00 0.00 O ATOM 376 CB TYR A 30 -1.789 -14.292 10.727 1.00 0.00 C ATOM 377 CG TYR A 30 -2.658 -15.409 11.308 1.00 0.00 C ATOM 378 CD1 TYR A 30 -3.608 -16.025 10.518 1.00 0.00 C ATOM 379 CD2 TYR A 30 -2.492 -15.802 12.620 1.00 0.00 C ATOM 380 CE1 TYR A 30 -4.426 -17.077 11.065 1.00 0.00 C ATOM 381 CE2 TYR A 30 -3.310 -16.854 13.166 1.00 0.00 C ATOM 382 CZ TYR A 30 -4.237 -17.439 12.362 1.00 0.00 C ATOM 383 OH TYR A 30 -5.010 -18.432 12.877 1.00 0.00 O ATOM 0 H TYR A 30 -1.067 -14.267 8.462 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.550 -13.702 9.561 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.916 -14.736 10.249 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.423 -13.669 11.543 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.738 -15.718 9.491 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.748 -15.321 13.238 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.173 -17.567 10.458 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.190 -17.171 14.191 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.764 -18.586 13.813 1.00 0.00 H new ATOM 392 N HIS A 31 -1.457 -11.243 9.865 1.00 0.00 N ATOM 393 CA HIS A 31 -1.322 -9.857 10.278 1.00 0.00 C ATOM 394 C HIS A 31 -1.799 -8.937 9.151 1.00 0.00 C ATOM 395 O HIS A 31 -1.991 -9.383 8.021 1.00 0.00 O ATOM 396 CB HIS A 31 0.112 -9.558 10.719 1.00 0.00 C ATOM 397 CG HIS A 31 1.070 -10.706 10.512 1.00 0.00 C ATOM 398 ND1 HIS A 31 1.626 -11.417 11.561 1.00 0.00 N ATOM 399 CD2 HIS A 31 1.564 -11.259 9.367 1.00 0.00 C ATOM 400 CE1 HIS A 31 2.418 -12.353 11.059 1.00 0.00 C ATOM 401 NE2 HIS A 31 2.379 -12.253 9.699 1.00 0.00 N ATOM 0 H HIS A 31 -0.688 -11.594 9.294 1.00 0.00 H new ATOM 0 HA HIS A 31 -1.954 -9.670 11.146 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.477 -8.690 10.169 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.108 -9.288 11.775 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.455 -11.249 12.552 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.332 -10.942 8.361 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.993 -13.069 11.627 1.00 0.00 H new ATOM 408 N ALA A 32 -1.979 -7.672 9.500 1.00 0.00 N ATOM 409 CA ALA A 32 -2.430 -6.686 8.532 1.00 0.00 C ATOM 410 C ALA A 32 -1.241 -5.831 8.088 1.00 0.00 C ATOM 411 O ALA A 32 -0.228 -5.763 8.783 1.00 0.00 O ATOM 412 CB ALA A 32 -3.555 -5.847 9.144 1.00 0.00 C ATOM 0 H ALA A 32 -1.821 -7.307 10.439 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.833 -7.176 7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.893 -5.107 8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.387 -6.497 9.415 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.186 -5.339 10.035 1.00 0.00 H new ATOM 418 N ASP A 33 -1.405 -5.201 6.935 1.00 0.00 N ATOM 419 CA ASP A 33 -0.357 -4.354 6.390 1.00 0.00 C ATOM 420 C ASP A 33 -0.811 -2.894 6.439 1.00 0.00 C ATOM 421 O ASP A 33 -1.948 -2.606 6.810 1.00 0.00 O ATOM 422 CB ASP A 33 -0.064 -4.710 4.931 1.00 0.00 C ATOM 423 CG ASP A 33 1.050 -5.739 4.727 1.00 0.00 C ATOM 424 OD1 ASP A 33 0.899 -6.698 3.956 1.00 0.00 O ATOM 425 OD2 ASP A 33 2.123 -5.524 5.410 1.00 0.00 O ATOM 0 H ASP A 33 -2.247 -5.260 6.363 1.00 0.00 H new ATOM 0 HA ASP A 33 0.543 -4.505 6.985 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.978 -5.091 4.475 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.202 -3.798 4.397 1.00 0.00 H new ATOM 430 N PHE A 34 0.100 -2.011 6.059 1.00 0.00 N ATOM 431 CA PHE A 34 -0.193 -0.588 6.055 1.00 0.00 C ATOM 432 C PHE A 34 0.290 0.067 4.758 1.00 0.00 C ATOM 433 O PHE A 34 1.154 -0.473 4.070 1.00 0.00 O ATOM 434 CB PHE A 34 0.562 0.027 7.235 1.00 0.00 C ATOM 435 CG PHE A 34 0.105 -0.486 8.601 1.00 0.00 C ATOM 436 CD1 PHE A 34 -1.216 -0.470 8.927 1.00 0.00 C ATOM 437 CD2 PHE A 34 1.018 -0.960 9.491 1.00 0.00 C ATOM 438 CE1 PHE A 34 -1.640 -0.946 10.195 1.00 0.00 C ATOM 439 CE2 PHE A 34 0.593 -1.437 10.759 1.00 0.00 C ATOM 440 CZ PHE A 34 -0.727 -1.420 11.084 1.00 0.00 C ATOM 0 H PHE A 34 1.042 -2.253 5.752 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.268 -0.429 6.133 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.626 -0.178 7.119 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.441 1.110 7.206 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.942 -0.095 8.221 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.067 -0.974 9.233 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.688 -0.932 10.454 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.318 -1.813 11.465 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.050 -1.783 12.048 1.00 0.00 H new ATOM 449 N LEU A 35 -0.290 1.222 4.465 1.00 0.00 N ATOM 450 CA LEU A 35 0.070 1.956 3.264 1.00 0.00 C ATOM 451 C LEU A 35 1.590 2.128 3.213 1.00 0.00 C ATOM 452 O LEU A 35 2.172 2.217 2.133 1.00 0.00 O ATOM 453 CB LEU A 35 -0.701 3.276 3.192 1.00 0.00 C ATOM 454 CG LEU A 35 -2.107 3.199 2.596 1.00 0.00 C ATOM 455 CD1 LEU A 35 -2.991 4.328 3.127 1.00 0.00 C ATOM 456 CD2 LEU A 35 -2.055 3.184 1.066 1.00 0.00 C ATOM 0 H LEU A 35 -1.006 1.667 5.039 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.218 1.396 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.777 3.685 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.117 3.984 2.604 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.560 2.259 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.985 4.249 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.067 4.251 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.552 5.290 2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.068 3.129 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.574 4.095 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.486 2.318 0.730 1.00 0.00 H new ATOM 467 N GLY A 36 2.189 2.171 4.395 1.00 0.00 N ATOM 468 CA GLY A 36 3.629 2.331 4.498 1.00 0.00 C ATOM 469 C GLY A 36 4.353 1.045 4.093 1.00 0.00 C ATOM 470 O GLY A 36 5.583 0.995 4.097 1.00 0.00 O ATOM 0 H GLY A 36 1.703 2.098 5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.954 3.152 3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.897 2.597 5.521 1.00 0.00 H new ATOM 474 N GLU A 37 3.562 0.039 3.755 1.00 0.00 N ATOM 475 CA GLU A 37 4.112 -1.243 3.348 1.00 0.00 C ATOM 476 C GLU A 37 4.987 -1.822 4.462 1.00 0.00 C ATOM 477 O GLU A 37 6.160 -2.121 4.244 1.00 0.00 O ATOM 478 CB GLU A 37 4.902 -1.112 2.044 1.00 0.00 C ATOM 479 CG GLU A 37 4.268 -0.069 1.122 1.00 0.00 C ATOM 480 CD GLU A 37 4.110 -0.617 -0.299 1.00 0.00 C ATOM 481 OE1 GLU A 37 5.060 -0.558 -1.094 1.00 0.00 O ATOM 482 OE2 GLU A 37 2.951 -1.118 -0.565 1.00 0.00 O ATOM 0 H GLU A 37 2.543 0.085 3.754 1.00 0.00 H new ATOM 0 HA GLU A 37 3.285 -1.930 3.166 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.931 -0.830 2.265 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.938 -2.077 1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.294 0.223 1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.886 0.829 1.103 1.00 0.00 H new ATOM 488 N ASP A 38 4.381 -1.964 5.633 1.00 0.00 N ATOM 489 CA ASP A 38 5.090 -2.502 6.781 1.00 0.00 C ATOM 490 C ASP A 38 4.098 -3.232 7.690 1.00 0.00 C ATOM 491 O ASP A 38 2.904 -2.942 7.671 1.00 0.00 O ATOM 492 CB ASP A 38 5.745 -1.386 7.597 1.00 0.00 C ATOM 493 CG ASP A 38 4.955 -0.076 7.653 1.00 0.00 C ATOM 494 OD1 ASP A 38 3.781 -0.056 8.051 1.00 0.00 O ATOM 495 OD2 ASP A 38 5.602 0.969 7.261 1.00 0.00 O ATOM 0 H ASP A 38 3.408 -1.716 5.810 1.00 0.00 H new ATOM 0 HA ASP A 38 5.861 -3.180 6.414 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.899 -1.744 8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.730 -1.181 7.179 1.00 0.00 H new ATOM 500 N LEU A 39 4.633 -4.164 8.465 1.00 0.00 N ATOM 501 CA LEU A 39 3.810 -4.938 9.379 1.00 0.00 C ATOM 502 C LEU A 39 4.260 -4.669 10.816 1.00 0.00 C ATOM 503 O LEU A 39 5.398 -4.961 11.179 1.00 0.00 O ATOM 504 CB LEU A 39 3.832 -6.420 8.996 1.00 0.00 C ATOM 505 CG LEU A 39 2.683 -7.270 9.542 1.00 0.00 C ATOM 506 CD1 LEU A 39 1.943 -7.985 8.409 1.00 0.00 C ATOM 507 CD2 LEU A 39 3.182 -8.248 10.607 1.00 0.00 C ATOM 0 H LEU A 39 5.625 -4.401 8.479 1.00 0.00 H new ATOM 0 HA LEU A 39 2.767 -4.629 9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.828 -6.494 7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.772 -6.850 9.341 1.00 0.00 H new ATOM 0 HG LEU A 39 1.967 -6.605 10.025 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.131 -8.582 8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.534 -7.247 7.719 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.636 -8.636 7.876 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.345 -8.840 10.978 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.930 -8.910 10.171 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.627 -7.692 11.432 1.00 0.00 H new ATOM 518 N PHE A 40 3.343 -4.114 11.596 1.00 0.00 N ATOM 519 CA PHE A 40 3.632 -3.801 12.985 1.00 0.00 C ATOM 520 C PHE A 40 2.972 -4.815 13.923 1.00 0.00 C ATOM 521 O PHE A 40 2.652 -4.491 15.066 1.00 0.00 O ATOM 522 CB PHE A 40 3.048 -2.414 13.261 1.00 0.00 C ATOM 523 CG PHE A 40 1.609 -2.436 13.781 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.742 -3.386 13.340 1.00 0.00 C ATOM 525 CD2 PHE A 40 1.197 -1.505 14.681 1.00 0.00 C ATOM 526 CE1 PHE A 40 -0.594 -3.406 13.821 1.00 0.00 C ATOM 527 CE2 PHE A 40 -0.138 -1.525 15.163 1.00 0.00 C ATOM 528 CZ PHE A 40 -1.006 -2.475 14.722 1.00 0.00 C ATOM 0 H PHE A 40 2.400 -3.873 11.292 1.00 0.00 H new ATOM 0 HA PHE A 40 4.708 -3.832 13.158 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.679 -1.904 13.989 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.083 -1.827 12.343 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.069 -4.125 12.624 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.886 -0.750 15.030 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.283 -4.161 13.471 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.465 -0.786 15.880 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.022 -2.490 15.088 1.00 0.00 H new ATOM 537 N PHE A 41 2.790 -6.021 13.406 1.00 0.00 N ATOM 538 CA PHE A 41 2.175 -7.083 14.183 1.00 0.00 C ATOM 539 C PHE A 41 3.215 -8.119 14.614 1.00 0.00 C ATOM 540 O PHE A 41 2.905 -9.035 15.375 1.00 0.00 O ATOM 541 CB PHE A 41 1.143 -7.760 13.278 1.00 0.00 C ATOM 542 CG PHE A 41 -0.233 -7.932 13.924 1.00 0.00 C ATOM 543 CD1 PHE A 41 -0.371 -8.707 15.033 1.00 0.00 C ATOM 544 CD2 PHE A 41 -1.318 -7.311 13.388 1.00 0.00 C ATOM 545 CE1 PHE A 41 -1.649 -8.867 15.631 1.00 0.00 C ATOM 546 CE2 PHE A 41 -2.595 -7.471 13.987 1.00 0.00 C ATOM 547 CZ PHE A 41 -2.734 -8.246 15.096 1.00 0.00 C ATOM 0 H PHE A 41 3.058 -6.286 12.458 1.00 0.00 H new ATOM 0 HA PHE A 41 1.718 -6.669 15.082 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.034 -7.173 12.366 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.520 -8.739 12.984 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.490 -9.200 15.458 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.208 -6.696 12.507 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.759 -9.482 16.512 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.456 -6.977 13.562 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.706 -8.368 15.551 1.00 0.00 H new ATOM 556 N CYS A 42 4.427 -7.939 14.110 1.00 0.00 N ATOM 557 CA CYS A 42 5.514 -8.847 14.434 1.00 0.00 C ATOM 558 C CYS A 42 6.494 -8.115 15.353 1.00 0.00 C ATOM 559 O CYS A 42 6.880 -8.638 16.398 1.00 0.00 O ATOM 560 CB CYS A 42 6.202 -9.379 13.175 1.00 0.00 C ATOM 561 SG CYS A 42 6.591 -7.995 12.042 1.00 0.00 S ATOM 0 H CYS A 42 4.680 -7.178 13.480 1.00 0.00 H new ATOM 0 HA CYS A 42 5.118 -9.722 14.949 1.00 0.00 H new ATOM 0 HB2 CYS A 42 7.117 -9.906 13.446 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.555 -10.099 12.674 1.00 0.00 H new ATOM 0 HG CYS A 42 7.176 -8.457 10.977 1.00 0.00 H new ATOM 566 N CYS A 43 6.868 -6.916 14.931 1.00 0.00 N ATOM 567 CA CYS A 43 7.796 -6.106 15.703 1.00 0.00 C ATOM 568 C CYS A 43 7.027 -4.919 16.284 1.00 0.00 C ATOM 569 O CYS A 43 6.967 -4.749 17.501 1.00 0.00 O ATOM 570 CB CYS A 43 8.991 -5.656 14.860 1.00 0.00 C ATOM 571 SG CYS A 43 10.343 -6.883 14.986 1.00 0.00 S ATOM 0 H CYS A 43 6.545 -6.486 14.064 1.00 0.00 H new ATOM 0 HA CYS A 43 8.213 -6.700 16.516 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.689 -5.541 13.819 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.340 -4.681 15.201 1.00 0.00 H new ATOM 0 HG CYS A 43 11.352 -6.493 14.265 1.00 0.00 H new ATOM 576 N ASP A 44 6.458 -4.126 15.387 1.00 0.00 N ATOM 577 CA ASP A 44 5.696 -2.959 15.795 1.00 0.00 C ATOM 578 C ASP A 44 6.598 -2.023 16.603 1.00 0.00 C ATOM 579 O ASP A 44 6.112 -1.121 17.282 1.00 0.00 O ATOM 580 CB ASP A 44 4.513 -3.356 16.681 1.00 0.00 C ATOM 581 CG ASP A 44 4.694 -3.059 18.171 1.00 0.00 C ATOM 582 OD1 ASP A 44 4.373 -1.960 18.648 1.00 0.00 O ATOM 583 OD2 ASP A 44 5.193 -4.028 18.863 1.00 0.00 O ATOM 0 H ASP A 44 6.510 -4.270 14.379 1.00 0.00 H new ATOM 0 HA ASP A 44 5.325 -2.467 14.896 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.623 -2.836 16.328 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.328 -4.423 16.558 1.00 0.00 H new ATOM 588 N ILE A 45 7.896 -2.271 16.500 1.00 0.00 N ATOM 589 CA ILE A 45 8.871 -1.462 17.212 1.00 0.00 C ATOM 590 C ILE A 45 9.546 -0.504 16.229 1.00 0.00 C ATOM 591 O ILE A 45 9.435 0.714 16.367 1.00 0.00 O ATOM 592 CB ILE A 45 9.852 -2.353 17.976 1.00 0.00 C ATOM 593 CG1 ILE A 45 9.176 -3.002 19.185 1.00 0.00 C ATOM 594 CG2 ILE A 45 11.108 -1.573 18.371 1.00 0.00 C ATOM 595 CD1 ILE A 45 9.000 -1.993 20.323 1.00 0.00 C ATOM 0 H ILE A 45 8.295 -3.020 15.934 1.00 0.00 H new ATOM 0 HA ILE A 45 8.379 -0.850 17.968 1.00 0.00 H new ATOM 0 HB ILE A 45 10.169 -3.159 17.314 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.204 -3.399 18.893 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.774 -3.845 19.531 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.789 -2.230 18.913 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.601 -1.199 17.474 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.830 -0.734 19.008 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.517 -2.480 21.170 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.976 -1.616 20.629 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.382 -1.163 19.981 1.00 0.00 H new ATOM 606 N CYS A 46 10.233 -1.089 15.260 1.00 0.00 N ATOM 607 CA CYS A 46 10.928 -0.302 14.255 1.00 0.00 C ATOM 608 C CYS A 46 9.988 -0.108 13.063 1.00 0.00 C ATOM 609 O CYS A 46 10.263 0.698 12.176 1.00 0.00 O ATOM 610 CB CYS A 46 12.248 -0.953 13.839 1.00 0.00 C ATOM 611 SG CYS A 46 11.928 -2.335 12.682 1.00 0.00 S ATOM 0 H CYS A 46 10.324 -2.099 15.149 1.00 0.00 H new ATOM 0 HA CYS A 46 11.193 0.670 14.671 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.894 -0.214 13.365 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.775 -1.320 14.720 1.00 0.00 H new ATOM 0 HG CYS A 46 13.056 -2.879 12.333 1.00 0.00 H new ATOM 616 N ALA A 47 8.897 -0.860 13.082 1.00 0.00 N ATOM 617 CA ALA A 47 7.915 -0.780 12.014 1.00 0.00 C ATOM 618 C ALA A 47 6.734 0.076 12.476 1.00 0.00 C ATOM 619 O ALA A 47 6.631 0.412 13.654 1.00 0.00 O ATOM 620 CB ALA A 47 7.487 -2.192 11.607 1.00 0.00 C ATOM 0 H ALA A 47 8.672 -1.527 13.820 1.00 0.00 H new ATOM 0 HA ALA A 47 8.344 -0.302 11.133 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.750 -2.132 10.806 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.357 -2.750 11.259 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.049 -2.701 12.465 1.00 0.00 H new ATOM 626 N ALA A 48 5.873 0.403 11.523 1.00 0.00 N ATOM 627 CA ALA A 48 4.704 1.214 11.818 1.00 0.00 C ATOM 628 C ALA A 48 5.121 2.682 11.929 1.00 0.00 C ATOM 629 O ALA A 48 5.023 3.279 13.000 1.00 0.00 O ATOM 630 CB ALA A 48 4.034 0.699 13.094 1.00 0.00 C ATOM 0 H ALA A 48 5.962 0.121 10.547 1.00 0.00 H new ATOM 0 HA ALA A 48 3.973 1.140 11.013 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.157 1.307 13.315 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.730 -0.338 12.952 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.737 0.760 13.924 1.00 0.00 H new ATOM 636 N GLU A 49 5.577 3.221 10.809 1.00 0.00 N ATOM 637 CA GLU A 49 6.009 4.608 10.767 1.00 0.00 C ATOM 638 C GLU A 49 4.807 5.532 10.559 1.00 0.00 C ATOM 639 O GLU A 49 3.856 5.175 9.865 1.00 0.00 O ATOM 640 CB GLU A 49 7.060 4.822 9.677 1.00 0.00 C ATOM 641 CG GLU A 49 8.419 5.170 10.287 1.00 0.00 C ATOM 642 CD GLU A 49 8.521 6.667 10.584 1.00 0.00 C ATOM 643 OE1 GLU A 49 8.730 7.468 9.661 1.00 0.00 O ATOM 644 OE2 GLU A 49 8.374 6.989 11.824 1.00 0.00 O ATOM 0 H GLU A 49 5.657 2.722 9.923 1.00 0.00 H new ATOM 0 HA GLU A 49 6.470 4.854 11.723 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.149 3.920 9.071 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.740 5.623 9.011 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.565 4.603 11.206 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.215 4.877 9.602 1.00 0.00 H new ATOM 650 N PHE A 50 4.889 6.703 11.173 1.00 0.00 N ATOM 651 CA PHE A 50 3.820 7.682 11.064 1.00 0.00 C ATOM 652 C PHE A 50 3.855 8.382 9.704 1.00 0.00 C ATOM 653 O PHE A 50 3.049 9.273 9.440 1.00 0.00 O ATOM 654 CB PHE A 50 4.049 8.719 12.164 1.00 0.00 C ATOM 655 CG PHE A 50 2.985 9.818 12.215 1.00 0.00 C ATOM 656 CD1 PHE A 50 1.675 9.490 12.366 1.00 0.00 C ATOM 657 CD2 PHE A 50 3.352 11.124 12.109 1.00 0.00 C ATOM 658 CE1 PHE A 50 0.688 10.510 12.413 1.00 0.00 C ATOM 659 CE2 PHE A 50 2.364 12.143 12.154 1.00 0.00 C ATOM 660 CZ PHE A 50 1.054 11.815 12.305 1.00 0.00 C ATOM 0 H PHE A 50 5.679 6.996 11.748 1.00 0.00 H new ATOM 0 HA PHE A 50 2.853 7.190 11.165 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.078 8.211 13.128 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.026 9.180 12.017 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.384 8.453 12.450 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.393 11.385 11.991 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.353 10.249 12.534 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.654 13.180 12.068 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.304 12.591 12.339 1.00 0.00 H new ATOM 669 N MET A 51 4.797 7.953 8.877 1.00 0.00 N ATOM 670 CA MET A 51 4.949 8.529 7.551 1.00 0.00 C ATOM 671 C MET A 51 3.635 8.456 6.770 1.00 0.00 C ATOM 672 O MET A 51 3.468 9.145 5.765 1.00 0.00 O ATOM 673 CB MET A 51 6.040 7.774 6.789 1.00 0.00 C ATOM 674 CG MET A 51 5.512 7.255 5.450 1.00 0.00 C ATOM 675 SD MET A 51 6.798 6.363 4.592 1.00 0.00 S ATOM 676 CE MET A 51 6.998 4.972 5.693 1.00 0.00 C ATOM 0 H MET A 51 5.463 7.213 9.099 1.00 0.00 H new ATOM 0 HA MET A 51 5.229 9.577 7.659 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.892 8.432 6.618 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.398 6.939 7.391 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.654 6.603 5.616 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.166 8.088 4.839 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.367 4.114 5.132 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.712 5.228 6.476 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.037 4.724 6.145 1.00 0.00 H new ATOM 684 N ASN A 52 2.737 7.615 7.261 1.00 0.00 N ATOM 685 CA ASN A 52 1.444 7.443 6.621 1.00 0.00 C ATOM 686 C ASN A 52 0.364 8.109 7.476 1.00 0.00 C ATOM 687 O ASN A 52 0.671 8.752 8.480 1.00 0.00 O ATOM 688 CB ASN A 52 1.090 5.961 6.482 1.00 0.00 C ATOM 689 CG ASN A 52 2.321 5.137 6.098 1.00 0.00 C ATOM 690 OD1 ASN A 52 2.794 4.295 6.843 1.00 0.00 O ATOM 691 ND2 ASN A 52 2.811 5.427 4.896 1.00 0.00 N ATOM 0 H ASN A 52 2.879 7.045 8.095 1.00 0.00 H new ATOM 0 HA ASN A 52 1.496 7.895 5.631 1.00 0.00 H new ATOM 0 HB2 ASN A 52 0.679 5.592 7.422 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.315 5.838 5.725 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.632 4.932 4.547 1.00 0.00 H new ATOM 0 HD22 ASN A 52 2.366 6.144 4.323 1.00 0.00 H new ATOM 697 N MET A 53 -0.878 7.932 7.048 1.00 0.00 N ATOM 698 CA MET A 53 -2.005 8.509 7.762 1.00 0.00 C ATOM 699 C MET A 53 -2.794 7.428 8.503 1.00 0.00 C ATOM 700 O MET A 53 -2.653 6.241 8.211 1.00 0.00 O ATOM 701 CB MET A 53 -2.924 9.225 6.771 1.00 0.00 C ATOM 702 CG MET A 53 -2.960 8.493 5.428 1.00 0.00 C ATOM 703 SD MET A 53 -1.618 9.053 4.392 1.00 0.00 S ATOM 704 CE MET A 53 -1.030 7.487 3.772 1.00 0.00 C ATOM 0 H MET A 53 -1.128 7.397 6.216 1.00 0.00 H new ATOM 0 HA MET A 53 -1.623 9.220 8.495 1.00 0.00 H new ATOM 0 HB2 MET A 53 -3.931 9.286 7.183 1.00 0.00 H new ATOM 0 HB3 MET A 53 -2.578 10.248 6.622 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.882 7.418 5.588 1.00 0.00 H new ATOM 0 HG3 MET A 53 -3.913 8.673 4.931 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.052 7.432 3.891 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.498 6.676 4.330 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.284 7.395 2.716 1.00 0.00 H new ATOM 712 N MET A 54 -3.608 7.876 9.447 1.00 0.00 N ATOM 713 CA MET A 54 -4.421 6.963 10.232 1.00 0.00 C ATOM 714 C MET A 54 -5.395 6.193 9.341 1.00 0.00 C ATOM 715 O MET A 54 -5.682 5.024 9.594 1.00 0.00 O ATOM 716 CB MET A 54 -5.204 7.751 11.284 1.00 0.00 C ATOM 717 CG MET A 54 -6.370 8.508 10.646 1.00 0.00 C ATOM 718 SD MET A 54 -6.927 9.805 11.738 1.00 0.00 S ATOM 719 CE MET A 54 -7.648 8.822 13.042 1.00 0.00 C ATOM 0 H MET A 54 -3.722 8.861 9.686 1.00 0.00 H new ATOM 0 HA MET A 54 -3.761 6.246 10.720 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.582 7.070 12.047 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.540 8.455 11.785 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.059 8.933 9.692 1.00 0.00 H new ATOM 0 HG3 MET A 54 -7.190 7.821 10.437 1.00 0.00 H new ATOM 0 HE1 MET A 54 -8.186 9.472 13.732 1.00 0.00 H new ATOM 0 HE2 MET A 54 -8.339 8.097 12.612 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.859 8.296 13.580 1.00 0.00 H new ATOM 727 N ASP A 55 -5.877 6.878 8.314 1.00 0.00 N ATOM 728 CA ASP A 55 -6.814 6.272 7.383 1.00 0.00 C ATOM 729 C ASP A 55 -6.323 4.872 7.010 1.00 0.00 C ATOM 730 O ASP A 55 -7.125 3.962 6.809 1.00 0.00 O ATOM 731 CB ASP A 55 -6.922 7.093 6.097 1.00 0.00 C ATOM 732 CG ASP A 55 -7.724 8.390 6.223 1.00 0.00 C ATOM 733 OD1 ASP A 55 -7.159 9.495 6.204 1.00 0.00 O ATOM 734 OD2 ASP A 55 -8.998 8.235 6.347 1.00 0.00 O ATOM 0 H ASP A 55 -5.636 7.847 8.106 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.790 6.230 7.867 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.917 7.337 5.754 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.380 6.474 5.326 1.00 0.00 H new ATOM 739 N GLU A 56 -5.006 4.743 6.930 1.00 0.00 N ATOM 740 CA GLU A 56 -4.398 3.470 6.585 1.00 0.00 C ATOM 741 C GLU A 56 -5.043 2.339 7.389 1.00 0.00 C ATOM 742 O GLU A 56 -5.475 1.337 6.821 1.00 0.00 O ATOM 743 CB GLU A 56 -2.885 3.507 6.806 1.00 0.00 C ATOM 744 CG GLU A 56 -2.330 2.099 7.036 1.00 0.00 C ATOM 745 CD GLU A 56 -2.978 1.092 6.083 1.00 0.00 C ATOM 746 OE1 GLU A 56 -3.000 1.318 4.864 1.00 0.00 O ATOM 747 OE2 GLU A 56 -3.469 0.043 6.650 1.00 0.00 O ATOM 0 H GLU A 56 -4.344 5.500 7.098 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.572 3.281 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.398 3.957 5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.655 4.137 7.665 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.250 2.101 6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.511 1.797 8.068 1.00 0.00 H new ATOM 753 N ALA A 57 -5.088 2.537 8.697 1.00 0.00 N ATOM 754 CA ALA A 57 -5.672 1.547 9.586 1.00 0.00 C ATOM 755 C ALA A 57 -6.994 1.054 8.993 1.00 0.00 C ATOM 756 O ALA A 57 -7.325 -0.125 9.103 1.00 0.00 O ATOM 757 CB ALA A 57 -5.848 2.151 10.980 1.00 0.00 C ATOM 0 H ALA A 57 -4.729 3.370 9.164 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.012 0.685 9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.286 1.408 11.646 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.877 2.459 11.368 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.506 3.018 10.921 1.00 0.00 H new ATOM 763 N PHE A 58 -7.713 1.982 8.378 1.00 0.00 N ATOM 764 CA PHE A 58 -8.990 1.656 7.768 1.00 0.00 C ATOM 765 C PHE A 58 -8.826 0.583 6.691 1.00 0.00 C ATOM 766 O PHE A 58 -9.702 -0.263 6.513 1.00 0.00 O ATOM 767 CB PHE A 58 -9.516 2.938 7.119 1.00 0.00 C ATOM 768 CG PHE A 58 -11.040 2.996 7.002 1.00 0.00 C ATOM 769 CD1 PHE A 58 -11.792 3.352 8.077 1.00 0.00 C ATOM 770 CD2 PHE A 58 -11.643 2.693 5.821 1.00 0.00 C ATOM 771 CE1 PHE A 58 -13.207 3.406 7.969 1.00 0.00 C ATOM 772 CE2 PHE A 58 -13.058 2.747 5.711 1.00 0.00 C ATOM 773 CZ PHE A 58 -13.810 3.103 6.788 1.00 0.00 C ATOM 0 H PHE A 58 -7.435 2.959 8.289 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.675 1.272 8.523 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -9.174 3.794 7.700 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -9.082 3.034 6.124 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -11.313 3.594 9.014 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -11.046 2.411 4.967 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -13.804 3.687 8.824 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -13.537 2.506 4.773 1.00 0.00 H new ATOM 0 HZ PHE A 58 -14.886 3.145 6.705 1.00 0.00 H new ATOM 782 N LYS A 59 -7.698 0.652 6.000 1.00 0.00 N ATOM 783 CA LYS A 59 -7.407 -0.303 4.944 1.00 0.00 C ATOM 784 C LYS A 59 -7.731 -1.715 5.436 1.00 0.00 C ATOM 785 O LYS A 59 -8.498 -2.437 4.802 1.00 0.00 O ATOM 786 CB LYS A 59 -5.968 -0.138 4.453 1.00 0.00 C ATOM 787 CG LYS A 59 -5.776 1.213 3.760 1.00 0.00 C ATOM 788 CD LYS A 59 -5.264 1.028 2.330 1.00 0.00 C ATOM 789 CE LYS A 59 -6.145 1.779 1.331 1.00 0.00 C ATOM 790 NZ LYS A 59 -7.511 1.208 1.311 1.00 0.00 N ATOM 0 H LYS A 59 -6.974 1.355 6.151 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.038 -0.115 4.076 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.281 -0.219 5.295 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.721 -0.944 3.762 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.721 1.755 3.744 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.070 1.820 4.327 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.238 1.388 2.258 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.248 -0.033 2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.190 2.835 1.599 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.706 1.721 0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.204 1.971 1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.590 0.523 0.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.700 0.728 2.214 1.00 0.00 H new ATOM 799 N HIS A 60 -7.130 -2.066 6.564 1.00 0.00 N ATOM 800 CA HIS A 60 -7.345 -3.379 7.148 1.00 0.00 C ATOM 801 C HIS A 60 -8.844 -3.632 7.305 1.00 0.00 C ATOM 802 O HIS A 60 -9.364 -4.633 6.813 1.00 0.00 O ATOM 803 CB HIS A 60 -6.578 -3.519 8.466 1.00 0.00 C ATOM 804 CG HIS A 60 -7.442 -3.923 9.637 1.00 0.00 C ATOM 805 ND1 HIS A 60 -7.848 -5.228 9.854 1.00 0.00 N ATOM 806 CD2 HIS A 60 -7.969 -3.182 10.654 1.00 0.00 C ATOM 807 CE1 HIS A 60 -8.587 -5.259 10.953 1.00 0.00 C ATOM 808 NE2 HIS A 60 -8.661 -3.990 11.447 1.00 0.00 N ATOM 0 H HIS A 60 -6.495 -1.464 7.088 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.951 -4.146 6.482 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -5.787 -4.258 8.338 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -6.093 -2.570 8.695 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.844 -2.118 10.791 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.050 -6.135 11.382 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -9.165 -3.708 12.288 1.00 0.00 H new ATOM 815 N THR A 61 -9.500 -2.708 7.992 1.00 0.00 N ATOM 816 CA THR A 61 -10.931 -2.819 8.220 1.00 0.00 C ATOM 817 C THR A 61 -11.663 -3.059 6.899 1.00 0.00 C ATOM 818 O THR A 61 -12.660 -3.780 6.860 1.00 0.00 O ATOM 819 CB THR A 61 -11.391 -1.556 8.950 1.00 0.00 C ATOM 820 OG1 THR A 61 -10.818 -1.676 10.249 1.00 0.00 O ATOM 821 CG2 THR A 61 -12.899 -1.547 9.208 1.00 0.00 C ATOM 0 H THR A 61 -9.067 -1.879 8.398 1.00 0.00 H new ATOM 0 HA THR A 61 -11.168 -3.679 8.847 1.00 0.00 H new ATOM 0 HB THR A 61 -11.117 -0.678 8.365 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.065 -0.896 10.789 1.00 0.00 H new ATOM 0 HG21 THR A 61 -13.174 -0.629 9.728 1.00 0.00 H new ATOM 0 HG22 THR A 61 -13.431 -1.599 8.258 1.00 0.00 H new ATOM 0 HG23 THR A 61 -13.168 -2.407 9.822 1.00 0.00 H new ATOM 829 N ALA A 62 -11.143 -2.441 5.849 1.00 0.00 N ATOM 830 CA ALA A 62 -11.735 -2.578 4.529 1.00 0.00 C ATOM 831 C ALA A 62 -11.274 -3.896 3.903 1.00 0.00 C ATOM 832 O ALA A 62 -12.097 -4.709 3.483 1.00 0.00 O ATOM 833 CB ALA A 62 -11.364 -1.366 3.674 1.00 0.00 C ATOM 0 H ALA A 62 -10.317 -1.843 5.886 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.822 -2.607 4.598 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.808 -1.469 2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.739 -0.458 4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.280 -1.305 3.580 1.00 0.00 H new ATOM 839 N ARG A 63 -9.961 -4.067 3.860 1.00 0.00 N ATOM 840 CA ARG A 63 -9.382 -5.273 3.293 1.00 0.00 C ATOM 841 C ARG A 63 -9.749 -6.490 4.144 1.00 0.00 C ATOM 842 O ARG A 63 -9.290 -7.600 3.876 1.00 0.00 O ATOM 843 CB ARG A 63 -7.859 -5.162 3.203 1.00 0.00 C ATOM 844 CG ARG A 63 -7.445 -3.916 2.419 1.00 0.00 C ATOM 845 CD ARG A 63 -5.947 -3.643 2.573 1.00 0.00 C ATOM 846 NE ARG A 63 -5.609 -3.472 4.004 1.00 0.00 N ATOM 847 CZ ARG A 63 -4.348 -3.376 4.477 1.00 0.00 C ATOM 848 NH1 ARG A 63 -3.294 -3.433 3.636 1.00 0.00 N ATOM 849 NH2 ARG A 63 -4.162 -3.226 5.775 1.00 0.00 N ATOM 0 H ARG A 63 -9.282 -3.391 4.208 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.786 -5.394 2.288 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.434 -5.123 4.206 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.454 -6.051 2.720 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.688 -4.048 1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -8.013 -3.055 2.771 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.373 -4.468 2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.673 -2.747 2.016 1.00 0.00 H new ATOM 0 HE ARG A 63 -6.376 -3.424 4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.447 -3.549 2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.345 -3.360 4.002 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.964 -3.184 6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.216 -3.152 6.149 1.00 0.00 H new ATOM 859 N HIS A 64 -10.573 -6.241 5.151 1.00 0.00 N ATOM 860 CA HIS A 64 -11.006 -7.303 6.043 1.00 0.00 C ATOM 861 C HIS A 64 -12.047 -8.173 5.336 1.00 0.00 C ATOM 862 O HIS A 64 -11.859 -9.381 5.196 1.00 0.00 O ATOM 863 CB HIS A 64 -11.515 -6.727 7.366 1.00 0.00 C ATOM 864 CG HIS A 64 -10.842 -7.308 8.587 1.00 0.00 C ATOM 865 ND1 HIS A 64 -11.524 -7.580 9.761 1.00 0.00 N ATOM 866 CD2 HIS A 64 -9.544 -7.666 8.804 1.00 0.00 C ATOM 867 CE1 HIS A 64 -10.665 -8.078 10.638 1.00 0.00 C ATOM 868 NE2 HIS A 64 -9.439 -8.131 10.044 1.00 0.00 N ATOM 0 H HIS A 64 -10.952 -5.320 5.369 1.00 0.00 H new ATOM 0 HA HIS A 64 -10.159 -7.941 6.294 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.367 -5.647 7.361 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -12.589 -6.901 7.438 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.738 -7.585 8.089 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -10.895 -8.388 11.647 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -8.582 -8.472 10.480 1.00 0.00 H new ATOM 875 N ASN A 65 -13.121 -7.527 4.910 1.00 0.00 N ATOM 876 CA ASN A 65 -14.192 -8.227 4.221 1.00 0.00 C ATOM 877 C ASN A 65 -14.278 -7.726 2.778 1.00 0.00 C ATOM 878 O ASN A 65 -14.225 -8.518 1.839 1.00 0.00 O ATOM 879 CB ASN A 65 -15.542 -7.965 4.893 1.00 0.00 C ATOM 880 CG ASN A 65 -16.591 -8.976 4.426 1.00 0.00 C ATOM 881 OD1 ASN A 65 -17.084 -8.725 3.217 1.00 0.00 O flip ATOM 882 ND2 ASN A 65 -16.932 -9.922 5.119 1.00 0.00 N flip ATOM 0 H ASN A 65 -13.273 -6.525 5.028 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.973 -9.294 4.254 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.431 -8.024 5.976 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.878 -6.954 4.662 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.513 -10.057 6.039 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.635 -10.577 4.778 1.00 0.00 H new ATOM 888 N VAL A 66 -14.408 -6.414 2.647 1.00 0.00 N ATOM 889 CA VAL A 66 -14.501 -5.798 1.335 1.00 0.00 C ATOM 890 C VAL A 66 -13.113 -5.322 0.900 1.00 0.00 C ATOM 891 O VAL A 66 -12.100 -5.808 1.401 1.00 0.00 O ATOM 892 CB VAL A 66 -15.539 -4.675 1.356 1.00 0.00 C ATOM 893 CG1 VAL A 66 -16.132 -4.450 -0.036 1.00 0.00 C ATOM 894 CG2 VAL A 66 -16.638 -4.963 2.381 1.00 0.00 C ATOM 0 H VAL A 66 -14.451 -5.760 3.429 1.00 0.00 H new ATOM 0 HA VAL A 66 -14.842 -6.523 0.596 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.033 -3.757 1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.867 -3.646 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -15.337 -4.178 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.615 -5.365 -0.378 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -17.363 -4.149 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -17.139 -5.897 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -16.196 -5.049 3.374 1.00 0.00 H new ATOM 904 N ASP A 67 -13.111 -4.376 -0.028 1.00 0.00 N ATOM 905 CA ASP A 67 -11.865 -3.828 -0.535 1.00 0.00 C ATOM 906 C ASP A 67 -11.988 -2.307 -0.644 1.00 0.00 C ATOM 907 O ASP A 67 -13.029 -1.792 -1.050 1.00 0.00 O ATOM 908 CB ASP A 67 -11.549 -4.378 -1.927 1.00 0.00 C ATOM 909 CG ASP A 67 -10.916 -5.770 -1.945 1.00 0.00 C ATOM 910 OD1 ASP A 67 -11.510 -6.736 -2.446 1.00 0.00 O ATOM 911 OD2 ASP A 67 -9.745 -5.844 -1.408 1.00 0.00 O ATOM 0 H ASP A 67 -13.953 -3.975 -0.442 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.068 -4.108 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -12.471 -4.407 -2.507 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.877 -3.684 -2.431 1.00 0.00 H new ATOM 916 N GLU A 68 -10.910 -1.630 -0.275 1.00 0.00 N ATOM 917 CA GLU A 68 -10.884 -0.179 -0.325 1.00 0.00 C ATOM 918 C GLU A 68 -9.523 0.311 -0.822 1.00 0.00 C ATOM 919 O GLU A 68 -8.488 -0.239 -0.449 1.00 0.00 O ATOM 920 CB GLU A 68 -11.220 0.424 1.040 1.00 0.00 C ATOM 921 CG GLU A 68 -12.728 0.400 1.295 1.00 0.00 C ATOM 922 CD GLU A 68 -13.079 1.148 2.583 1.00 0.00 C ATOM 923 OE1 GLU A 68 -13.857 0.638 3.404 1.00 0.00 O ATOM 924 OE2 GLU A 68 -12.511 2.298 2.717 1.00 0.00 O ATOM 0 H GLU A 68 -10.048 -2.061 0.060 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.647 0.154 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.706 -0.133 1.824 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.856 1.450 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.250 0.854 0.453 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.072 -0.632 1.364 1.00 0.00 H new ATOM 930 N LEU A 69 -9.567 1.341 -1.654 1.00 0.00 N ATOM 931 CA LEU A 69 -8.350 1.911 -2.205 1.00 0.00 C ATOM 932 C LEU A 69 -8.422 3.437 -2.120 1.00 0.00 C ATOM 933 O LEU A 69 -9.412 4.039 -2.534 1.00 0.00 O ATOM 934 CB LEU A 69 -8.104 1.385 -3.620 1.00 0.00 C ATOM 935 CG LEU A 69 -9.309 0.752 -4.319 1.00 0.00 C ATOM 936 CD1 LEU A 69 -10.425 1.779 -4.521 1.00 0.00 C ATOM 937 CD2 LEU A 69 -8.895 0.090 -5.634 1.00 0.00 C ATOM 0 H LEU A 69 -10.427 1.796 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.485 1.599 -1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.744 2.210 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.304 0.646 -3.578 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.705 -0.033 -3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.270 1.305 -5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.745 2.164 -3.553 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.056 2.601 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.770 -0.352 -6.110 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.460 0.838 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.159 -0.689 -5.433 1.00 0.00 H new ATOM 948 N HIS A 70 -7.361 4.020 -1.582 1.00 0.00 N ATOM 949 CA HIS A 70 -7.292 5.463 -1.438 1.00 0.00 C ATOM 950 C HIS A 70 -5.866 5.940 -1.720 1.00 0.00 C ATOM 951 O HIS A 70 -4.900 5.295 -1.315 1.00 0.00 O ATOM 952 CB HIS A 70 -7.801 5.897 -0.062 1.00 0.00 C ATOM 953 CG HIS A 70 -8.391 7.287 -0.036 1.00 0.00 C ATOM 954 ND1 HIS A 70 -9.332 7.871 -0.830 1.00 0.00 N flip ATOM 955 CD2 HIS A 70 -8.012 8.244 0.890 1.00 0.00 C flip ATOM 956 CE1 HIS A 70 -9.521 9.116 -0.411 1.00 0.00 C flip ATOM 957 NE2 HIS A 70 -8.703 9.350 0.654 1.00 0.00 N flip ATOM 0 H HIS A 70 -6.541 3.518 -1.240 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.947 5.936 -2.169 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.556 5.187 0.276 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.977 5.850 0.650 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.278 8.112 1.671 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.210 9.827 -0.843 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -8.635 10.223 1.177 1.00 0.00 H new ATOM 964 N ILE A 71 -5.779 7.067 -2.413 1.00 0.00 N ATOM 965 CA ILE A 71 -4.487 7.637 -2.754 1.00 0.00 C ATOM 966 C ILE A 71 -4.510 9.142 -2.483 1.00 0.00 C ATOM 967 O ILE A 71 -5.425 9.840 -2.918 1.00 0.00 O ATOM 968 CB ILE A 71 -4.105 7.278 -4.192 1.00 0.00 C ATOM 969 CG1 ILE A 71 -3.172 8.332 -4.791 1.00 0.00 C ATOM 970 CG2 ILE A 71 -5.352 7.060 -5.052 1.00 0.00 C ATOM 971 CD1 ILE A 71 -1.840 8.376 -4.039 1.00 0.00 C ATOM 0 H ILE A 71 -6.582 7.600 -2.747 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.706 7.211 -2.125 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.557 6.336 -4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.993 8.109 -5.843 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -3.649 9.311 -4.750 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.053 6.806 -6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.944 6.246 -4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -5.948 7.972 -5.066 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.195 9.133 -4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.021 8.623 -2.993 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.354 7.403 -4.103 1.00 0.00 H new ATOM 982 N ASP A 72 -3.495 9.598 -1.764 1.00 0.00 N ATOM 983 CA ASP A 72 -3.389 11.008 -1.429 1.00 0.00 C ATOM 984 C ASP A 72 -1.913 11.416 -1.423 1.00 0.00 C ATOM 985 O ASP A 72 -1.059 10.663 -0.957 1.00 0.00 O ATOM 986 CB ASP A 72 -3.962 11.288 -0.038 1.00 0.00 C ATOM 987 CG ASP A 72 -5.436 11.696 -0.017 1.00 0.00 C ATOM 988 OD1 ASP A 72 -5.793 12.776 0.477 1.00 0.00 O ATOM 989 OD2 ASP A 72 -6.246 10.841 -0.544 1.00 0.00 O ATOM 0 H ASP A 72 -2.739 9.016 -1.404 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.951 11.575 -2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.839 10.396 0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.375 12.079 0.428 1.00 0.00 H new ATOM 994 N GLY A 73 -1.660 12.607 -1.946 1.00 0.00 N ATOM 995 CA GLY A 73 -0.303 13.123 -2.007 1.00 0.00 C ATOM 996 C GLY A 73 -0.254 14.586 -1.560 1.00 0.00 C ATOM 997 O GLY A 73 -1.032 15.411 -2.038 1.00 0.00 O ATOM 0 H GLY A 73 -2.371 13.229 -2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.348 12.522 -1.371 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.078 13.037 -3.025 1.00 0.00 H new ATOM 1001 N ASN A 74 0.669 14.863 -0.650 1.00 0.00 N ATOM 1002 CA ASN A 74 0.830 16.211 -0.135 1.00 0.00 C ATOM 1003 C ASN A 74 2.312 16.475 0.138 1.00 0.00 C ATOM 1004 O ASN A 74 3.021 15.599 0.631 1.00 0.00 O ATOM 1005 CB ASN A 74 0.068 16.394 1.179 1.00 0.00 C ATOM 1006 CG ASN A 74 -0.259 17.868 1.424 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -0.472 18.644 0.507 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -0.287 18.210 2.709 1.00 0.00 N ATOM 0 H ASN A 74 1.313 14.176 -0.257 1.00 0.00 H new ATOM 0 HA ASN A 74 0.438 16.904 -0.879 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.854 15.813 1.152 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.664 16.008 2.006 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.496 19.172 2.976 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.099 17.510 3.427 1.00 0.00 H new ATOM 1014 N TYR A 75 2.737 17.686 -0.194 1.00 0.00 N ATOM 1015 CA TYR A 75 4.122 18.075 0.009 1.00 0.00 C ATOM 1016 C TYR A 75 4.479 18.073 1.496 1.00 0.00 C ATOM 1017 O TYR A 75 5.641 18.250 1.859 1.00 0.00 O ATOM 1018 CB TYR A 75 4.241 19.502 -0.530 1.00 0.00 C ATOM 1019 CG TYR A 75 5.404 20.297 0.067 1.00 0.00 C ATOM 1020 CD1 TYR A 75 5.291 20.844 1.329 1.00 0.00 C ATOM 1021 CD2 TYR A 75 6.568 20.466 -0.657 1.00 0.00 C ATOM 1022 CE1 TYR A 75 6.385 21.592 1.890 1.00 0.00 C ATOM 1023 CE2 TYR A 75 7.663 21.214 -0.095 1.00 0.00 C ATOM 1024 CZ TYR A 75 7.517 21.740 1.150 1.00 0.00 C ATOM 1025 OH TYR A 75 8.552 22.447 1.681 1.00 0.00 O ATOM 0 H TYR A 75 2.146 18.410 -0.602 1.00 0.00 H new ATOM 0 HA TYR A 75 4.794 17.380 -0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.360 19.462 -1.613 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.311 20.034 -0.331 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.381 20.711 1.896 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.657 20.037 -1.644 1.00 0.00 H new ATOM 0 HE1 TYR A 75 6.309 22.026 2.876 1.00 0.00 H new ATOM 0 HE2 TYR A 75 8.579 21.354 -0.650 1.00 0.00 H new ATOM 0 HH TYR A 75 9.295 22.470 1.042 1.00 0.00 H new ATOM 1034 N GLN A 76 3.459 17.870 2.318 1.00 0.00 N ATOM 1035 CA GLN A 76 3.651 17.842 3.757 1.00 0.00 C ATOM 1036 C GLN A 76 3.579 16.404 4.275 1.00 0.00 C ATOM 1037 O GLN A 76 4.014 16.120 5.390 1.00 0.00 O ATOM 1038 CB GLN A 76 2.626 18.731 4.464 1.00 0.00 C ATOM 1039 CG GLN A 76 3.320 19.826 5.281 1.00 0.00 C ATOM 1040 CD GLN A 76 3.645 19.334 6.692 1.00 0.00 C ATOM 1041 OE1 GLN A 76 2.772 19.034 7.490 1.00 0.00 O ATOM 1042 NE2 GLN A 76 4.947 19.267 6.954 1.00 0.00 N ATOM 0 H GLN A 76 2.497 17.723 2.014 1.00 0.00 H new ATOM 0 HA GLN A 76 4.642 18.238 3.979 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.964 19.186 3.727 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.003 18.123 5.120 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.237 20.133 4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.678 20.705 5.337 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.625 19.533 6.240 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.267 18.949 7.869 1.00 0.00 H new ATOM 1049 N LEU A 77 3.027 15.536 3.440 1.00 0.00 N ATOM 1050 CA LEU A 77 2.894 14.135 3.800 1.00 0.00 C ATOM 1051 C LEU A 77 4.240 13.610 4.303 1.00 0.00 C ATOM 1052 O LEU A 77 4.310 12.973 5.352 1.00 0.00 O ATOM 1053 CB LEU A 77 2.320 13.333 2.629 1.00 0.00 C ATOM 1054 CG LEU A 77 1.214 12.336 2.977 1.00 0.00 C ATOM 1055 CD1 LEU A 77 -0.147 13.031 3.054 1.00 0.00 C ATOM 1056 CD2 LEU A 77 1.204 11.163 1.993 1.00 0.00 C ATOM 0 H LEU A 77 2.667 15.776 2.516 1.00 0.00 H new ATOM 0 HA LEU A 77 2.182 14.019 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.931 14.034 1.891 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.136 12.789 2.153 1.00 0.00 H new ATOM 0 HG LEU A 77 1.422 11.926 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.916 12.299 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.118 13.803 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.378 13.486 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.408 10.469 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.033 11.536 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.164 10.648 2.031 1.00 0.00 H new ATOM 1067 N GLY A 78 5.277 13.897 3.530 1.00 0.00 N ATOM 1068 CA GLY A 78 6.617 13.462 3.883 1.00 0.00 C ATOM 1069 C GLY A 78 7.404 13.041 2.640 1.00 0.00 C ATOM 1070 O GLY A 78 8.390 12.314 2.741 1.00 0.00 O ATOM 0 H GLY A 78 5.216 14.426 2.660 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.142 14.269 4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.560 12.627 4.581 1.00 0.00 H new ATOM 1074 N ARG A 79 6.937 13.519 1.495 1.00 0.00 N ATOM 1075 CA ARG A 79 7.585 13.201 0.234 1.00 0.00 C ATOM 1076 C ARG A 79 7.847 11.697 0.134 1.00 0.00 C ATOM 1077 O ARG A 79 8.974 11.276 -0.119 1.00 0.00 O ATOM 1078 CB ARG A 79 8.909 13.954 0.089 1.00 0.00 C ATOM 1079 CG ARG A 79 8.707 15.288 -0.631 1.00 0.00 C ATOM 1080 CD ARG A 79 10.017 16.072 -0.711 1.00 0.00 C ATOM 1081 NE ARG A 79 9.905 17.143 -1.728 1.00 0.00 N ATOM 1082 CZ ARG A 79 10.199 16.979 -3.035 1.00 0.00 C ATOM 1083 NH1 ARG A 79 10.626 15.784 -3.497 1.00 0.00 N ATOM 1084 NH2 ARG A 79 10.063 18.004 -3.855 1.00 0.00 N ATOM 0 H ARG A 79 6.119 14.123 1.415 1.00 0.00 H new ATOM 0 HA ARG A 79 6.915 13.510 -0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.340 14.131 1.074 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.620 13.342 -0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.325 15.109 -1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.957 15.879 -0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.251 16.505 0.261 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.837 15.401 -0.966 1.00 0.00 H new ATOM 0 HE ARG A 79 9.586 18.062 -1.421 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.728 14.997 -2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.846 15.669 -4.486 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.740 18.903 -3.498 1.00 0.00 H new ATOM 0 HH22 ARG A 79 10.281 17.897 -4.846 1.00 0.00 H new ATOM 1094 N ASN A 80 6.787 10.929 0.341 1.00 0.00 N ATOM 1095 CA ASN A 80 6.889 9.481 0.279 1.00 0.00 C ATOM 1096 C ASN A 80 5.974 8.957 -0.829 1.00 0.00 C ATOM 1097 O ASN A 80 4.759 9.145 -0.776 1.00 0.00 O ATOM 1098 CB ASN A 80 6.450 8.841 1.597 1.00 0.00 C ATOM 1099 CG ASN A 80 7.660 8.474 2.459 1.00 0.00 C ATOM 1100 OD1 ASN A 80 8.261 7.344 2.094 1.00 0.00 O flip ATOM 1101 ND2 ASN A 80 8.026 9.170 3.392 1.00 0.00 N flip ATOM 0 H ASN A 80 5.854 11.282 0.552 1.00 0.00 H new ATOM 0 HA ASN A 80 7.930 9.224 0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 80 5.806 9.530 2.143 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.860 7.947 1.393 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.520 10.026 3.619 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.838 8.896 3.945 1.00 0.00 H new ATOM 1107 N VAL A 81 6.591 8.310 -1.807 1.00 0.00 N ATOM 1108 CA VAL A 81 5.847 7.757 -2.925 1.00 0.00 C ATOM 1109 C VAL A 81 5.990 6.233 -2.925 1.00 0.00 C ATOM 1110 O VAL A 81 7.066 5.707 -3.204 1.00 0.00 O ATOM 1111 CB VAL A 81 6.312 8.401 -4.232 1.00 0.00 C ATOM 1112 CG1 VAL A 81 7.803 8.151 -4.466 1.00 0.00 C ATOM 1113 CG2 VAL A 81 5.481 7.901 -5.416 1.00 0.00 C ATOM 0 H VAL A 81 7.599 8.157 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 81 4.785 7.983 -2.826 1.00 0.00 H new ATOM 0 HB VAL A 81 6.161 9.477 -4.147 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.108 8.619 -5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.377 8.577 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.988 7.078 -4.520 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.832 8.374 -6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.586 6.820 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.432 8.152 -5.257 1.00 0.00 H new ATOM 1123 N LEU A 82 4.889 5.567 -2.609 1.00 0.00 N ATOM 1124 CA LEU A 82 4.878 4.115 -2.569 1.00 0.00 C ATOM 1125 C LEU A 82 3.766 3.592 -3.479 1.00 0.00 C ATOM 1126 O LEU A 82 2.589 3.868 -3.249 1.00 0.00 O ATOM 1127 CB LEU A 82 4.776 3.620 -1.125 1.00 0.00 C ATOM 1128 CG LEU A 82 5.794 4.201 -0.142 1.00 0.00 C ATOM 1129 CD1 LEU A 82 5.413 5.624 0.267 1.00 0.00 C ATOM 1130 CD2 LEU A 82 5.971 3.284 1.070 1.00 0.00 C ATOM 0 H LEU A 82 3.998 6.007 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 82 5.817 3.716 -2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.775 3.844 -0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.880 2.535 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 82 6.759 4.259 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.154 6.012 0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.380 6.260 -0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.433 5.615 0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.700 3.720 1.753 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.016 3.170 1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.324 2.307 0.739 1.00 0.00 H new ATOM 1141 N LEU A 83 4.176 2.846 -4.494 1.00 0.00 N ATOM 1142 CA LEU A 83 3.228 2.283 -5.440 1.00 0.00 C ATOM 1143 C LEU A 83 3.321 0.756 -5.399 1.00 0.00 C ATOM 1144 O LEU A 83 4.313 0.178 -5.841 1.00 0.00 O ATOM 1145 CB LEU A 83 3.446 2.875 -6.834 1.00 0.00 C ATOM 1146 CG LEU A 83 3.585 1.867 -7.976 1.00 0.00 C ATOM 1147 CD1 LEU A 83 3.006 2.428 -9.276 1.00 0.00 C ATOM 1148 CD2 LEU A 83 5.039 1.422 -8.142 1.00 0.00 C ATOM 0 H LEU A 83 5.152 2.618 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 83 2.208 2.549 -5.162 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.611 3.538 -7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.344 3.492 -6.809 1.00 0.00 H new ATOM 0 HG LEU A 83 3.004 0.981 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.118 1.691 -10.072 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.949 2.653 -9.136 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.538 3.339 -9.548 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.109 0.706 -8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.662 2.289 -8.364 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.384 0.954 -7.220 1.00 0.00 H new ATOM 1159 N LYS A 84 2.273 0.145 -4.865 1.00 0.00 N ATOM 1160 CA LYS A 84 2.224 -1.303 -4.761 1.00 0.00 C ATOM 1161 C LYS A 84 0.951 -1.815 -5.438 1.00 0.00 C ATOM 1162 O LYS A 84 -0.157 -1.455 -5.039 1.00 0.00 O ATOM 1163 CB LYS A 84 2.364 -1.740 -3.301 1.00 0.00 C ATOM 1164 CG LYS A 84 3.487 -2.765 -3.141 1.00 0.00 C ATOM 1165 CD LYS A 84 2.959 -4.191 -3.309 1.00 0.00 C ATOM 1166 CE LYS A 84 2.399 -4.727 -1.990 1.00 0.00 C ATOM 1167 NZ LYS A 84 3.460 -4.778 -0.960 1.00 0.00 N ATOM 0 H LYS A 84 1.451 0.627 -4.500 1.00 0.00 H new ATOM 0 HA LYS A 84 3.067 -1.752 -5.286 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.568 -0.871 -2.676 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.424 -2.168 -2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.266 -2.573 -3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.945 -2.657 -2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.181 -4.207 -4.072 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.761 -4.841 -3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.583 -4.090 -1.649 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.984 -5.723 -2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.227 -5.509 -0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.369 -5.007 -1.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.530 -3.854 -0.488 1.00 0.00 H new ATOM 1176 N ASN A 85 1.150 -2.648 -6.448 1.00 0.00 N ATOM 1177 CA ASN A 85 0.032 -3.215 -7.183 1.00 0.00 C ATOM 1178 C ASN A 85 0.000 -4.729 -6.968 1.00 0.00 C ATOM 1179 O ASN A 85 0.924 -5.436 -7.366 1.00 0.00 O ATOM 1180 CB ASN A 85 0.170 -2.953 -8.684 1.00 0.00 C ATOM 1181 CG ASN A 85 1.256 -1.911 -8.961 1.00 0.00 C ATOM 1182 OD1 ASN A 85 1.267 -0.825 -8.404 1.00 0.00 O ATOM 1183 ND2 ASN A 85 2.164 -2.299 -9.850 1.00 0.00 N ATOM 0 H ASN A 85 2.069 -2.944 -6.775 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.883 -2.748 -6.818 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.413 -3.883 -9.198 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.782 -2.607 -9.085 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.929 -1.674 -10.104 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.096 -3.222 -10.279 1.00 0.00 H new ATOM 1189 N GLY A 86 -1.075 -5.182 -6.339 1.00 0.00 N ATOM 1190 CA GLY A 86 -1.240 -6.600 -6.067 1.00 0.00 C ATOM 1191 C GLY A 86 -2.483 -7.152 -6.766 1.00 0.00 C ATOM 1192 O GLY A 86 -3.603 -6.734 -6.473 1.00 0.00 O ATOM 0 H GLY A 86 -1.840 -4.593 -6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.357 -7.144 -6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -1.322 -6.760 -4.992 1.00 0.00 H new ATOM 1196 N GLU A 87 -2.246 -8.084 -7.678 1.00 0.00 N ATOM 1197 CA GLU A 87 -3.332 -8.698 -8.422 1.00 0.00 C ATOM 1198 C GLU A 87 -3.293 -10.218 -8.263 1.00 0.00 C ATOM 1199 O GLU A 87 -2.308 -10.859 -8.629 1.00 0.00 O ATOM 1200 CB GLU A 87 -3.279 -8.299 -9.899 1.00 0.00 C ATOM 1201 CG GLU A 87 -2.012 -8.838 -10.566 1.00 0.00 C ATOM 1202 CD GLU A 87 -1.629 -7.992 -11.782 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -2.508 -7.398 -12.425 1.00 0.00 O ATOM 1204 OE2 GLU A 87 -0.368 -7.959 -12.049 1.00 0.00 O ATOM 0 H GLU A 87 -1.317 -8.429 -7.918 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.276 -8.335 -8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.158 -8.684 -10.415 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.307 -7.213 -9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.192 -8.841 -9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.170 -9.872 -10.873 1.00 0.00 H new ATOM 1210 N ASP A 88 -4.374 -10.752 -7.715 1.00 0.00 N ATOM 1211 CA ASP A 88 -4.476 -12.185 -7.502 1.00 0.00 C ATOM 1212 C ASP A 88 -5.725 -12.715 -8.209 1.00 0.00 C ATOM 1213 O ASP A 88 -6.687 -11.975 -8.415 1.00 0.00 O ATOM 1214 CB ASP A 88 -4.601 -12.513 -6.013 1.00 0.00 C ATOM 1215 CG ASP A 88 -5.916 -12.081 -5.364 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -6.951 -11.961 -6.035 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -5.850 -11.861 -4.094 1.00 0.00 O ATOM 0 H ASP A 88 -5.188 -10.217 -7.412 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.573 -12.649 -7.899 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.485 -13.589 -5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.777 -12.037 -5.481 1.00 0.00 H new ATOM 1222 N ARG A 89 -5.671 -13.991 -8.561 1.00 0.00 N ATOM 1223 CA ARG A 89 -6.786 -14.628 -9.241 1.00 0.00 C ATOM 1224 C ARG A 89 -6.756 -16.140 -9.010 1.00 0.00 C ATOM 1225 O ARG A 89 -5.684 -16.739 -8.941 1.00 0.00 O ATOM 1226 CB ARG A 89 -6.748 -14.348 -10.745 1.00 0.00 C ATOM 1227 CG ARG A 89 -5.536 -15.018 -11.396 1.00 0.00 C ATOM 1228 CD ARG A 89 -4.254 -14.236 -11.103 1.00 0.00 C ATOM 1229 NE ARG A 89 -3.278 -14.437 -12.197 1.00 0.00 N ATOM 1230 CZ ARG A 89 -3.218 -13.672 -13.308 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -4.080 -12.648 -13.483 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -2.304 -13.943 -14.222 1.00 0.00 N ATOM 0 H ARG A 89 -4.872 -14.601 -8.388 1.00 0.00 H new ATOM 0 HA ARG A 89 -7.705 -14.212 -8.829 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.664 -14.713 -11.210 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.710 -13.272 -10.918 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.437 -16.038 -11.025 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -5.688 -15.084 -12.473 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.481 -13.175 -10.998 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.825 -14.566 -10.157 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.609 -15.201 -12.106 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.784 -12.447 -12.773 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.027 -12.075 -14.325 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.658 -14.720 -14.082 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.244 -13.376 -15.067 1.00 0.00 H new ATOM 1242 N LEU A 90 -7.945 -16.713 -8.896 1.00 0.00 N ATOM 1243 CA LEU A 90 -8.068 -18.144 -8.674 1.00 0.00 C ATOM 1244 C LEU A 90 -9.400 -18.632 -9.246 1.00 0.00 C ATOM 1245 O LEU A 90 -10.192 -17.837 -9.746 1.00 0.00 O ATOM 1246 CB LEU A 90 -7.876 -18.474 -7.191 1.00 0.00 C ATOM 1247 CG LEU A 90 -6.455 -18.847 -6.765 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -6.262 -18.643 -5.261 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -6.109 -20.272 -7.200 1.00 0.00 C ATOM 0 H LEU A 90 -8.832 -16.212 -8.953 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.279 -18.681 -9.201 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -8.196 -17.613 -6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.539 -19.300 -6.934 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.759 -18.178 -7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.243 -18.915 -4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.439 -17.597 -5.010 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.966 -19.271 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.094 -20.512 -6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.807 -20.972 -6.741 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.180 -20.349 -8.285 1.00 0.00 H new ATOM 1260 N ARG A 91 -9.605 -19.937 -9.150 1.00 0.00 N ATOM 1261 CA ARG A 91 -10.828 -20.541 -9.652 1.00 0.00 C ATOM 1262 C ARG A 91 -12.047 -19.905 -8.982 1.00 0.00 C ATOM 1263 O ARG A 91 -13.158 -19.981 -9.506 1.00 0.00 O ATOM 1264 CB ARG A 91 -10.843 -22.049 -9.397 1.00 0.00 C ATOM 1265 CG ARG A 91 -10.800 -22.352 -7.897 1.00 0.00 C ATOM 1266 CD ARG A 91 -11.682 -23.553 -7.554 1.00 0.00 C ATOM 1267 NE ARG A 91 -11.053 -24.799 -8.046 1.00 0.00 N ATOM 1268 CZ ARG A 91 -11.739 -25.913 -8.382 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -13.085 -25.944 -8.283 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -11.074 -26.970 -8.809 1.00 0.00 N ATOM 0 H ARG A 91 -8.945 -20.593 -8.732 1.00 0.00 H new ATOM 0 HA ARG A 91 -10.867 -20.366 -10.727 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.740 -22.487 -9.834 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.989 -22.513 -9.890 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.773 -22.552 -7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.134 -21.479 -7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.828 -23.611 -6.475 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -12.668 -23.431 -8.003 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.037 -24.818 -8.137 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.591 -25.122 -7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.596 -26.789 -8.539 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.057 -26.938 -8.881 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.577 -27.819 -9.067 1.00 0.00 H new ATOM 1280 N PHE A 92 -11.800 -19.292 -7.835 1.00 0.00 N ATOM 1281 CA PHE A 92 -12.864 -18.643 -7.088 1.00 0.00 C ATOM 1282 C PHE A 92 -13.437 -17.458 -7.868 1.00 0.00 C ATOM 1283 O PHE A 92 -14.514 -16.960 -7.545 1.00 0.00 O ATOM 1284 CB PHE A 92 -12.247 -18.130 -5.785 1.00 0.00 C ATOM 1285 CG PHE A 92 -13.011 -16.965 -5.152 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -12.728 -15.686 -5.518 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -13.973 -17.209 -4.222 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -13.436 -14.606 -4.929 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -14.682 -16.129 -3.633 1.00 0.00 C ATOM 1290 CZ PHE A 92 -14.399 -14.850 -3.999 1.00 0.00 C ATOM 0 H PHE A 92 -10.878 -19.231 -7.404 1.00 0.00 H new ATOM 0 HA PHE A 92 -13.674 -19.349 -6.904 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -12.199 -18.951 -5.070 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -11.221 -17.816 -5.979 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.965 -15.492 -6.257 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -14.198 -18.225 -3.931 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -13.210 -13.590 -5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -15.446 -16.323 -2.895 1.00 0.00 H new ATOM 0 HZ PHE A 92 -14.938 -14.028 -3.552 1.00 0.00 H new ATOM 1299 N TYR A 93 -12.691 -17.039 -8.879 1.00 0.00 N ATOM 1300 CA TYR A 93 -13.111 -15.922 -9.708 1.00 0.00 C ATOM 1301 C TYR A 93 -13.820 -16.413 -10.972 1.00 0.00 C ATOM 1302 O TYR A 93 -13.591 -17.536 -11.420 1.00 0.00 O ATOM 1303 CB TYR A 93 -11.829 -15.189 -10.108 1.00 0.00 C ATOM 1304 CG TYR A 93 -11.762 -13.740 -9.617 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -12.732 -12.837 -10.001 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -10.732 -13.339 -8.791 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -12.668 -11.474 -9.538 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -10.669 -11.977 -8.330 1.00 0.00 C ATOM 1309 CZ TYR A 93 -11.640 -11.111 -8.726 1.00 0.00 C ATOM 1310 OH TYR A 93 -11.580 -9.825 -8.290 1.00 0.00 O ATOM 0 H TYR A 93 -11.797 -17.453 -9.143 1.00 0.00 H new ATOM 0 HA TYR A 93 -13.807 -15.282 -9.166 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.972 -15.735 -9.714 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.741 -15.198 -11.194 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.538 -13.151 -10.648 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -9.974 -14.047 -8.491 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -13.420 -10.756 -9.830 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.868 -11.650 -7.684 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.793 -9.710 -7.717 1.00 0.00 H new ATOM 1319 N VAL A 94 -14.664 -15.547 -11.513 1.00 0.00 N ATOM 1320 CA VAL A 94 -15.408 -15.879 -12.717 1.00 0.00 C ATOM 1321 C VAL A 94 -14.955 -14.965 -13.858 1.00 0.00 C ATOM 1322 O VAL A 94 -14.804 -15.413 -14.994 1.00 0.00 O ATOM 1323 CB VAL A 94 -16.911 -15.793 -12.444 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -17.462 -17.147 -11.988 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -17.220 -14.701 -11.419 1.00 0.00 C ATOM 0 H VAL A 94 -14.849 -14.616 -11.140 1.00 0.00 H new ATOM 0 HA VAL A 94 -15.205 -16.906 -13.021 1.00 0.00 H new ATOM 0 HB VAL A 94 -17.408 -15.526 -13.377 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -18.532 -17.060 -11.800 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -17.289 -17.891 -12.766 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -16.957 -17.456 -11.073 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -18.295 -14.661 -11.243 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -16.707 -14.925 -10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -16.878 -13.738 -11.799 1.00 0.00 H new ATOM 1335 N LYS A 95 -14.751 -13.702 -13.516 1.00 0.00 N ATOM 1336 CA LYS A 95 -14.318 -12.721 -14.498 1.00 0.00 C ATOM 1337 C LYS A 95 -12.793 -12.606 -14.459 1.00 0.00 C ATOM 1338 O LYS A 95 -12.170 -12.230 -15.451 1.00 0.00 O ATOM 1339 CB LYS A 95 -15.041 -11.391 -14.282 1.00 0.00 C ATOM 1340 CG LYS A 95 -14.472 -10.649 -13.071 1.00 0.00 C ATOM 1341 CD LYS A 95 -14.097 -9.211 -13.436 1.00 0.00 C ATOM 1342 CE LYS A 95 -15.318 -8.292 -13.367 1.00 0.00 C ATOM 1343 NZ LYS A 95 -16.276 -8.621 -14.445 1.00 0.00 N ATOM 0 H LYS A 95 -14.877 -13.334 -12.573 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.588 -13.044 -15.503 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -14.942 -10.770 -15.173 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -16.106 -11.571 -14.135 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -15.206 -10.644 -12.265 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -13.593 -11.174 -12.698 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.326 -8.849 -12.756 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.674 -9.185 -14.440 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -15.804 -8.395 -12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.003 -7.252 -13.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -16.920 -7.818 -14.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -15.756 -8.815 -15.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -16.826 -9.461 -14.176 1.00 0.00 H new ATOM 1352 N PHE A 96 -12.236 -12.937 -13.303 1.00 0.00 N ATOM 1353 CA PHE A 96 -10.794 -12.874 -13.122 1.00 0.00 C ATOM 1354 C PHE A 96 -10.249 -11.504 -13.530 1.00 0.00 C ATOM 1355 O PHE A 96 -9.377 -11.411 -14.392 1.00 0.00 O ATOM 1356 CB PHE A 96 -10.183 -13.944 -14.031 1.00 0.00 C ATOM 1357 CG PHE A 96 -10.807 -15.331 -13.864 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -10.325 -16.184 -12.921 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -11.842 -15.711 -14.660 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -10.903 -17.473 -12.768 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -12.421 -16.999 -14.506 1.00 0.00 C ATOM 1362 CZ PHE A 96 -11.938 -17.853 -13.563 1.00 0.00 C ATOM 0 H PHE A 96 -12.756 -13.249 -12.483 1.00 0.00 H new ATOM 0 HA PHE A 96 -10.543 -13.037 -12.074 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -10.292 -13.630 -15.069 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -9.114 -14.011 -13.829 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -9.503 -15.882 -12.289 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -12.224 -15.033 -15.409 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -10.520 -18.151 -12.020 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -13.244 -17.300 -15.137 1.00 0.00 H new ATOM 0 HZ PHE A 96 -12.377 -18.833 -13.446 1.00 0.00 H new ATOM 1371 N GLY A 97 -10.787 -10.476 -12.891 1.00 0.00 N ATOM 1372 CA GLY A 97 -10.365 -9.114 -13.176 1.00 0.00 C ATOM 1373 C GLY A 97 -9.258 -8.672 -12.216 1.00 0.00 C ATOM 1374 O GLY A 97 -9.475 -8.589 -11.008 1.00 0.00 O ATOM 0 H GLY A 97 -11.511 -10.558 -12.177 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -10.008 -9.047 -14.204 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -11.217 -8.440 -13.090 1.00 0.00 H new ATOM 1378 N PRO A 98 -8.065 -8.391 -12.805 1.00 0.00 N ATOM 1379 CA PRO A 98 -6.924 -7.958 -12.016 1.00 0.00 C ATOM 1380 C PRO A 98 -7.086 -6.503 -11.571 1.00 0.00 C ATOM 1381 O PRO A 98 -8.003 -5.812 -12.013 1.00 0.00 O ATOM 1382 CB PRO A 98 -5.719 -8.173 -12.918 1.00 0.00 C ATOM 1383 CG PRO A 98 -6.268 -8.277 -14.331 1.00 0.00 C ATOM 1384 CD PRO A 98 -7.772 -8.477 -14.233 1.00 0.00 C ATOM 0 HA PRO A 98 -6.816 -8.520 -11.088 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -5.015 -7.345 -12.833 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -5.181 -9.079 -12.641 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -6.039 -7.374 -14.897 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -5.806 -9.110 -14.860 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -8.310 -7.713 -14.794 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.071 -9.443 -14.641 1.00 0.00 H new ATOM 1389 N GLY A 99 -6.181 -6.080 -10.701 1.00 0.00 N ATOM 1390 CA GLY A 99 -6.211 -4.720 -10.191 1.00 0.00 C ATOM 1391 C GLY A 99 -4.842 -4.052 -10.329 1.00 0.00 C ATOM 1392 O GLY A 99 -3.991 -4.184 -9.449 1.00 0.00 O ATOM 0 H GLY A 99 -5.422 -6.656 -10.336 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.958 -4.141 -10.733 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -6.512 -4.727 -9.143 1.00 0.00 H new ATOM 1396 N ALA A 100 -4.670 -3.349 -11.439 1.00 0.00 N ATOM 1397 CA ALA A 100 -3.417 -2.660 -11.702 1.00 0.00 C ATOM 1398 C ALA A 100 -3.491 -1.242 -11.135 1.00 0.00 C ATOM 1399 O ALA A 100 -4.518 -0.840 -10.589 1.00 0.00 O ATOM 1400 CB ALA A 100 -3.135 -2.673 -13.206 1.00 0.00 C ATOM 0 H ALA A 100 -5.377 -3.241 -12.166 1.00 0.00 H new ATOM 0 HA ALA A 100 -2.588 -3.168 -11.210 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -2.196 -2.157 -13.405 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.063 -3.704 -13.554 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.945 -2.168 -13.732 1.00 0.00 H new ATOM 1406 N VAL A 101 -2.389 -0.521 -11.282 1.00 0.00 N ATOM 1407 CA VAL A 101 -2.317 0.844 -10.791 1.00 0.00 C ATOM 1408 C VAL A 101 -3.463 1.660 -11.392 1.00 0.00 C ATOM 1409 O VAL A 101 -4.080 2.472 -10.703 1.00 0.00 O ATOM 1410 CB VAL A 101 -0.939 1.437 -11.094 1.00 0.00 C ATOM 1411 CG1 VAL A 101 -0.924 2.946 -10.843 1.00 0.00 C ATOM 1412 CG2 VAL A 101 0.150 0.734 -10.282 1.00 0.00 C ATOM 0 H VAL A 101 -1.539 -0.857 -11.734 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.436 0.866 -9.708 1.00 0.00 H new ATOM 0 HB VAL A 101 -0.728 1.272 -12.151 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.067 3.342 -11.066 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.661 3.429 -11.485 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.167 3.144 -9.799 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.119 1.174 -10.516 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.055 0.853 -9.218 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.163 -0.327 -10.533 1.00 0.00 H new ATOM 1422 N ILE A 102 -3.715 1.416 -12.670 1.00 0.00 N ATOM 1423 CA ILE A 102 -4.777 2.117 -13.371 1.00 0.00 C ATOM 1424 C ILE A 102 -6.096 1.913 -12.623 1.00 0.00 C ATOM 1425 O ILE A 102 -6.903 2.836 -12.518 1.00 0.00 O ATOM 1426 CB ILE A 102 -4.827 1.685 -14.837 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -4.139 2.714 -15.736 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -6.267 1.408 -15.278 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -4.934 4.021 -15.780 1.00 0.00 C ATOM 0 H ILE A 102 -3.202 0.742 -13.238 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.582 3.189 -13.386 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.274 0.751 -14.937 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.132 2.909 -15.367 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.037 2.312 -16.744 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.275 1.103 -16.324 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.689 0.612 -14.664 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -6.864 2.312 -15.160 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.424 4.736 -16.426 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.932 3.827 -16.172 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -5.013 4.433 -14.774 1.00 0.00 H new ATOM 1440 N LYS A 103 -6.276 0.700 -12.124 1.00 0.00 N ATOM 1441 CA LYS A 103 -7.484 0.363 -11.389 1.00 0.00 C ATOM 1442 C LYS A 103 -7.552 1.206 -10.115 1.00 0.00 C ATOM 1443 O LYS A 103 -8.634 1.610 -9.690 1.00 0.00 O ATOM 1444 CB LYS A 103 -7.554 -1.144 -11.134 1.00 0.00 C ATOM 1445 CG LYS A 103 -8.819 -1.746 -11.749 1.00 0.00 C ATOM 1446 CD LYS A 103 -8.492 -2.520 -13.027 1.00 0.00 C ATOM 1447 CE LYS A 103 -9.293 -1.980 -14.214 1.00 0.00 C ATOM 1448 NZ LYS A 103 -8.829 -0.622 -14.576 1.00 0.00 N ATOM 0 H LYS A 103 -5.605 -0.063 -12.214 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.368 0.604 -11.979 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -6.674 -1.629 -11.556 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.540 -1.336 -10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -9.297 -2.411 -11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.532 -0.953 -11.972 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -7.425 -2.445 -13.239 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.715 -3.577 -12.884 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.184 -2.648 -15.068 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -10.353 -1.954 -13.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.645 0.020 -14.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.168 -0.276 -13.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.347 -0.654 -15.497 1.00 0.00 H new ATOM 1457 N GLU A 104 -6.384 1.448 -9.540 1.00 0.00 N ATOM 1458 CA GLU A 104 -6.297 2.237 -8.322 1.00 0.00 C ATOM 1459 C GLU A 104 -6.780 3.665 -8.580 1.00 0.00 C ATOM 1460 O GLU A 104 -7.458 4.257 -7.741 1.00 0.00 O ATOM 1461 CB GLU A 104 -4.873 2.231 -7.765 1.00 0.00 C ATOM 1462 CG GLU A 104 -4.416 3.648 -7.412 1.00 0.00 C ATOM 1463 CD GLU A 104 -2.890 3.733 -7.351 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -2.223 2.723 -7.077 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -2.397 4.899 -7.601 1.00 0.00 O ATOM 0 H GLU A 104 -5.489 1.112 -9.895 1.00 0.00 H new ATOM 0 HA GLU A 104 -6.946 1.785 -7.572 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.828 1.599 -6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.193 1.798 -8.499 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.793 4.351 -8.154 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.839 3.941 -6.451 1.00 0.00 H new ATOM 1471 N PHE A 105 -6.409 4.181 -9.743 1.00 0.00 N ATOM 1472 CA PHE A 105 -6.796 5.529 -10.122 1.00 0.00 C ATOM 1473 C PHE A 105 -8.317 5.684 -10.123 1.00 0.00 C ATOM 1474 O PHE A 105 -8.838 6.743 -9.775 1.00 0.00 O ATOM 1475 CB PHE A 105 -6.270 5.763 -11.540 1.00 0.00 C ATOM 1476 CG PHE A 105 -5.011 6.630 -11.601 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -4.000 6.424 -10.715 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -4.902 7.606 -12.542 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -2.831 7.227 -10.773 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -3.733 8.410 -12.600 1.00 0.00 C ATOM 1481 CZ PHE A 105 -2.722 8.203 -11.714 1.00 0.00 C ATOM 0 H PHE A 105 -5.844 3.689 -10.435 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.386 6.247 -9.412 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.057 4.799 -12.001 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.053 6.235 -12.134 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -4.087 5.649 -9.967 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.705 7.770 -13.245 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -2.028 7.063 -10.070 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.647 9.185 -13.347 1.00 0.00 H new ATOM 0 HZ PHE A 105 -1.832 8.814 -11.758 1.00 0.00 H new ATOM 1490 N LYS A 106 -8.989 4.612 -10.518 1.00 0.00 N ATOM 1491 CA LYS A 106 -10.442 4.615 -10.569 1.00 0.00 C ATOM 1492 C LYS A 106 -10.990 5.252 -9.290 1.00 0.00 C ATOM 1493 O LYS A 106 -12.093 5.796 -9.288 1.00 0.00 O ATOM 1494 CB LYS A 106 -10.971 3.204 -10.829 1.00 0.00 C ATOM 1495 CG LYS A 106 -12.501 3.178 -10.795 1.00 0.00 C ATOM 1496 CD LYS A 106 -13.046 1.965 -11.552 1.00 0.00 C ATOM 1497 CE LYS A 106 -12.446 0.665 -11.009 1.00 0.00 C ATOM 1498 NZ LYS A 106 -12.713 -0.456 -11.937 1.00 0.00 N ATOM 0 H LYS A 106 -8.554 3.735 -10.806 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.794 5.221 -11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -10.619 2.853 -11.799 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.575 2.519 -10.079 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.845 3.150 -9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -12.894 4.094 -11.237 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.132 1.934 -11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.816 2.061 -12.613 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.371 0.783 -10.872 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.870 0.443 -10.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.299 -1.330 -11.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.740 -0.578 -12.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.288 -0.249 -12.863 1.00 0.00 H new ATOM 1507 N ILE A 107 -10.195 5.164 -8.235 1.00 0.00 N ATOM 1508 CA ILE A 107 -10.587 5.725 -6.953 1.00 0.00 C ATOM 1509 C ILE A 107 -11.326 7.045 -7.183 1.00 0.00 C ATOM 1510 O ILE A 107 -12.220 7.402 -6.417 1.00 0.00 O ATOM 1511 CB ILE A 107 -9.374 5.852 -6.029 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -9.806 6.185 -4.600 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -8.372 6.870 -6.577 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -10.154 7.669 -4.464 1.00 0.00 C ATOM 0 H ILE A 107 -9.280 4.712 -8.241 1.00 0.00 H new ATOM 0 HA ILE A 107 -11.279 5.057 -6.441 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.867 4.887 -5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -10.670 5.579 -4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.005 5.930 -3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.519 6.941 -5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.030 6.550 -7.561 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -8.852 7.845 -6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -10.458 7.879 -3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.281 8.272 -4.714 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -10.971 7.915 -5.142 1.00 0.00 H new ATOM 1525 N THR A 108 -10.925 7.734 -8.242 1.00 0.00 N ATOM 1526 CA THR A 108 -11.537 9.006 -8.583 1.00 0.00 C ATOM 1527 C THR A 108 -11.184 9.400 -10.018 1.00 0.00 C ATOM 1528 O THR A 108 -12.027 9.921 -10.748 1.00 0.00 O ATOM 1529 CB THR A 108 -11.093 10.037 -7.543 1.00 0.00 C ATOM 1530 OG1 THR A 108 -11.528 11.283 -8.083 1.00 0.00 O ATOM 1531 CG2 THR A 108 -9.572 10.175 -7.466 1.00 0.00 C ATOM 0 H THR A 108 -10.183 7.434 -8.875 1.00 0.00 H new ATOM 0 HA THR A 108 -12.625 8.942 -8.555 1.00 0.00 H new ATOM 0 HB THR A 108 -11.481 9.755 -6.564 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.282 12.008 -7.471 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.312 10.919 -6.713 1.00 0.00 H new ATOM 0 HG22 THR A 108 -9.133 9.215 -7.195 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.186 10.490 -8.435 1.00 0.00 H new ATOM 1539 N ASP A 109 -9.938 9.136 -10.381 1.00 0.00 N ATOM 1540 CA ASP A 109 -9.463 9.457 -11.717 1.00 0.00 C ATOM 1541 C ASP A 109 -10.366 8.780 -12.750 1.00 0.00 C ATOM 1542 O ASP A 109 -10.130 7.635 -13.130 1.00 0.00 O ATOM 1543 CB ASP A 109 -8.035 8.949 -11.930 1.00 0.00 C ATOM 1544 CG ASP A 109 -7.182 9.797 -12.874 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -6.126 10.319 -12.485 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -7.646 9.917 -14.072 1.00 0.00 O ATOM 0 H ASP A 109 -9.242 8.703 -9.774 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.480 10.541 -11.831 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -7.536 8.896 -10.962 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.081 7.932 -12.321 1.00 0.00 H new