USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=23 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 :FLIP no HD1:sc= -1.96! C(o=-3.2!,f=-1.9!) USER MOD Set 1.2: A 61 THR OG1 : rot 180:sc= 0.0481 USER MOD Set 2.1: A 20 CYS SG : rot -147:sc= 1.28 USER MOD Set 2.2: A 42 CYS SG : rot 125:sc= 0.132 USER MOD Set 2.3: A 43 CYS SG : rot -56:sc= 0.537 USER MOD Set 2.4: A 46 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 15 SER OG : rot 128:sc= -0.749 USER MOD Set 3.2: A 17 SER OG : rot -40:sc= -1.32 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.119 (180deg=-0.968) USER MOD Single : A 1 MET N :NH3+ -161:sc= -1.54 (180deg=-2.27!) USER MOD Single : A 2 SER OG : rot 150:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.308 K(o=-0.31,f=-1.5) USER MOD Single : A 9 ASN :FLIP amide:sc= -0.649 F(o=-1.4,f=-0.65) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 HD1:sc= -3 X(o=-3,f=-3.1!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -6.27! C(o=-6.3!,f=-6.7!) USER MOD Single : A 53 MET CE :methyl -105:sc= -0.152 (180deg=-3.95!) USER MOD Single : A 54 MET CE :methyl -145:sc= -0.202 (180deg=-1.09) USER MOD Single : A 59 LYS NZ :NH3+ -129:sc= 0.709 (180deg=-2!) USER MOD Single : A 64 HIS : no HD1:sc= -0.0878 X(o=-0.088,f=-0.34) USER MOD Single : A 65 ASN : amide:sc= 0.721 K(o=0.72,f=-12!) USER MOD Single : A 70 HIS : no HD1:sc= -0.0512 X(o=-0.051,f=0) USER MOD Single : A 74 ASN : amide:sc=-0.00997 X(o=-0.01,f=0.034) USER MOD Single : A 75 TYR OH : rot -33:sc= 0.282 USER MOD Single : A 76 GLN : amide:sc= -0.137 K(o=-0.14,f=-2.1!) USER MOD Single : A 80 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.8!) USER MOD Single : A 84 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.271) USER MOD Single : A 85 ASN : amide:sc= -1.04 X(o=-1,f=-0.61) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 163:sc= -0.374 (180deg=-0.939) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 30:sc= 0.0348 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.703 13.799 -7.476 1.00 0.00 N ATOM 2 CA MET A 1 6.373 14.392 -6.332 1.00 0.00 C ATOM 3 C MET A 1 6.151 13.554 -5.071 1.00 0.00 C ATOM 4 O MET A 1 7.091 12.967 -4.537 1.00 0.00 O ATOM 5 CB MET A 1 5.840 15.808 -6.104 1.00 0.00 C ATOM 6 CG MET A 1 5.675 16.551 -7.432 1.00 0.00 C ATOM 7 SD MET A 1 3.950 16.906 -7.723 1.00 0.00 S ATOM 8 CE MET A 1 3.617 15.754 -9.045 1.00 0.00 C ATOM 0 H1 MET A 1 6.114 14.177 -8.353 1.00 0.00 H new ATOM 0 H2 MET A 1 5.826 12.767 -7.453 1.00 0.00 H new ATOM 0 H3 MET A 1 4.689 14.028 -7.442 1.00 0.00 H new ATOM 0 HA MET A 1 7.442 14.426 -6.540 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.881 15.761 -5.588 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.524 16.358 -5.457 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.247 17.478 -7.413 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.073 15.948 -8.248 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.734 16.078 -9.596 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.472 15.717 -9.720 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.441 14.762 -8.628 1.00 0.00 H new ATOM 16 N SER A 2 4.901 13.524 -4.632 1.00 0.00 N ATOM 17 CA SER A 2 4.544 12.768 -3.444 1.00 0.00 C ATOM 18 C SER A 2 3.146 12.168 -3.607 1.00 0.00 C ATOM 19 O SER A 2 2.152 12.892 -3.600 1.00 0.00 O ATOM 20 CB SER A 2 4.602 13.647 -2.193 1.00 0.00 C ATOM 21 OG SER A 2 4.498 15.032 -2.508 1.00 0.00 O ATOM 0 H SER A 2 4.123 14.011 -5.078 1.00 0.00 H new ATOM 0 HA SER A 2 5.267 11.962 -3.322 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.795 13.368 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.538 13.465 -1.665 1.00 0.00 H new ATOM 0 HG SER A 2 4.069 15.505 -1.765 1.00 0.00 H new ATOM 26 N GLU A 3 3.115 10.851 -3.748 1.00 0.00 N ATOM 27 CA GLU A 3 1.855 10.146 -3.913 1.00 0.00 C ATOM 28 C GLU A 3 1.894 8.809 -3.168 1.00 0.00 C ATOM 29 O GLU A 3 2.903 8.106 -3.200 1.00 0.00 O ATOM 30 CB GLU A 3 1.532 9.939 -5.393 1.00 0.00 C ATOM 31 CG GLU A 3 1.061 11.244 -6.039 1.00 0.00 C ATOM 32 CD GLU A 3 -0.453 11.411 -5.896 1.00 0.00 C ATOM 33 OE1 GLU A 3 -0.989 11.282 -4.785 1.00 0.00 O ATOM 34 OE2 GLU A 3 -1.077 11.685 -6.991 1.00 0.00 O ATOM 0 H GLU A 3 3.942 10.254 -3.751 1.00 0.00 H new ATOM 0 HA GLU A 3 1.060 10.757 -3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.416 9.570 -5.914 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.759 9.178 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 3 1.569 12.089 -5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.333 11.250 -7.094 1.00 0.00 H new ATOM 40 N VAL A 4 0.784 8.499 -2.516 1.00 0.00 N ATOM 41 CA VAL A 4 0.679 7.260 -1.765 1.00 0.00 C ATOM 42 C VAL A 4 -0.444 6.404 -2.356 1.00 0.00 C ATOM 43 O VAL A 4 -1.619 6.749 -2.240 1.00 0.00 O ATOM 44 CB VAL A 4 0.478 7.563 -0.278 1.00 0.00 C ATOM 45 CG1 VAL A 4 -0.935 8.082 -0.010 1.00 0.00 C ATOM 46 CG2 VAL A 4 0.783 6.333 0.578 1.00 0.00 C ATOM 0 H VAL A 4 -0.051 9.084 -2.492 1.00 0.00 H new ATOM 0 HA VAL A 4 1.603 6.687 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 4 1.181 8.348 0.002 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.051 8.289 1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -1.100 8.997 -0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.663 7.330 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.632 6.575 1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.117 5.518 0.294 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.817 6.028 0.421 1.00 0.00 H new ATOM 56 N ASN A 5 -0.043 5.304 -2.976 1.00 0.00 N ATOM 57 CA ASN A 5 -1.000 4.396 -3.586 1.00 0.00 C ATOM 58 C ASN A 5 -0.870 3.016 -2.940 1.00 0.00 C ATOM 59 O ASN A 5 0.223 2.456 -2.877 1.00 0.00 O ATOM 60 CB ASN A 5 -0.736 4.244 -5.085 1.00 0.00 C ATOM 61 CG ASN A 5 -1.511 3.056 -5.660 1.00 0.00 C ATOM 62 OD1 ASN A 5 -2.614 2.741 -5.242 1.00 0.00 O ATOM 63 ND2 ASN A 5 -0.878 2.419 -6.639 1.00 0.00 N ATOM 0 H ASN A 5 0.932 5.021 -3.069 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.998 4.807 -3.436 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -1.026 5.158 -5.604 1.00 0.00 H new ATOM 0 HB3 ASN A 5 0.331 4.105 -5.258 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -1.314 1.614 -7.089 1.00 0.00 H new ATOM 0 HD22 ASN A 5 0.044 2.735 -6.941 1.00 0.00 H new ATOM 69 N ILE A 6 -2.002 2.508 -2.473 1.00 0.00 N ATOM 70 CA ILE A 6 -2.028 1.203 -1.834 1.00 0.00 C ATOM 71 C ILE A 6 -3.339 0.496 -2.182 1.00 0.00 C ATOM 72 O ILE A 6 -4.420 1.002 -1.884 1.00 0.00 O ATOM 73 CB ILE A 6 -1.783 1.339 -0.330 1.00 0.00 C ATOM 74 CG1 ILE A 6 -1.748 -0.034 0.346 1.00 0.00 C ATOM 75 CG2 ILE A 6 -2.815 2.267 0.313 1.00 0.00 C ATOM 76 CD1 ILE A 6 -0.385 -0.702 0.159 1.00 0.00 C ATOM 0 H ILE A 6 -2.907 2.976 -2.524 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.219 0.578 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.804 1.796 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.961 0.075 1.409 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.529 -0.669 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.617 2.346 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.749 3.255 -0.142 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.815 1.862 0.158 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.387 -1.676 0.649 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.186 -0.831 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.391 -0.076 0.600 1.00 0.00 H new ATOM 87 N VAL A 7 -3.202 -0.663 -2.808 1.00 0.00 N ATOM 88 CA VAL A 7 -4.362 -1.445 -3.200 1.00 0.00 C ATOM 89 C VAL A 7 -4.090 -2.926 -2.924 1.00 0.00 C ATOM 90 O VAL A 7 -3.232 -3.533 -3.564 1.00 0.00 O ATOM 91 CB VAL A 7 -4.712 -1.164 -4.663 1.00 0.00 C ATOM 92 CG1 VAL A 7 -3.703 -1.822 -5.605 1.00 0.00 C ATOM 93 CG2 VAL A 7 -6.138 -1.620 -4.982 1.00 0.00 C ATOM 0 H VAL A 7 -2.304 -1.080 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.233 -1.159 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.661 -0.086 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.975 -1.606 -6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.707 -1.429 -5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.707 -2.900 -5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -6.362 -1.409 -6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.227 -2.691 -4.801 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.842 -1.085 -4.345 1.00 0.00 H new ATOM 103 N VAL A 8 -4.838 -3.464 -1.972 1.00 0.00 N ATOM 104 CA VAL A 8 -4.689 -4.862 -1.604 1.00 0.00 C ATOM 105 C VAL A 8 -6.069 -5.518 -1.543 1.00 0.00 C ATOM 106 O VAL A 8 -6.912 -5.127 -0.736 1.00 0.00 O ATOM 107 CB VAL A 8 -3.913 -4.977 -0.290 1.00 0.00 C ATOM 108 CG1 VAL A 8 -2.968 -6.180 -0.316 1.00 0.00 C ATOM 109 CG2 VAL A 8 -3.149 -3.686 0.011 1.00 0.00 C ATOM 0 H VAL A 8 -5.549 -2.957 -1.444 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.108 -5.396 -2.356 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.634 -5.134 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.428 -6.239 0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.545 -7.093 -0.462 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.256 -6.066 -1.134 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.606 -3.795 0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.443 -3.485 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.853 -2.857 0.092 1.00 0.00 H new ATOM 119 N ASN A 9 -6.258 -6.506 -2.406 1.00 0.00 N ATOM 120 CA ASN A 9 -7.522 -7.221 -2.460 1.00 0.00 C ATOM 121 C ASN A 9 -7.296 -8.677 -2.050 1.00 0.00 C ATOM 122 O ASN A 9 -6.440 -9.359 -2.612 1.00 0.00 O ATOM 123 CB ASN A 9 -8.099 -7.212 -3.877 1.00 0.00 C ATOM 124 CG ASN A 9 -9.482 -6.559 -3.902 1.00 0.00 C ATOM 125 OD1 ASN A 9 -9.459 -5.253 -4.149 1.00 0.00 O flip ATOM 126 ND2 ASN A 9 -10.503 -7.198 -3.707 1.00 0.00 N flip ATOM 0 H ASN A 9 -5.557 -6.828 -3.073 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.219 -6.726 -1.784 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.426 -6.673 -4.544 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.168 -8.233 -4.252 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.450 -8.200 -3.523 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.409 -6.730 -3.728 1.00 0.00 H new ATOM 132 N GLY A 10 -8.081 -9.112 -1.074 1.00 0.00 N ATOM 133 CA GLY A 10 -7.977 -10.476 -0.583 1.00 0.00 C ATOM 134 C GLY A 10 -6.598 -10.738 0.023 1.00 0.00 C ATOM 135 O GLY A 10 -5.946 -11.725 -0.311 1.00 0.00 O ATOM 0 H GLY A 10 -8.791 -8.544 -0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.747 -10.656 0.167 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.158 -11.175 -1.400 1.00 0.00 H new ATOM 139 N ARG A 11 -6.192 -9.835 0.904 1.00 0.00 N ATOM 140 CA ARG A 11 -4.901 -9.955 1.560 1.00 0.00 C ATOM 141 C ARG A 11 -3.878 -10.579 0.607 1.00 0.00 C ATOM 142 O ARG A 11 -3.321 -11.636 0.897 1.00 0.00 O ATOM 143 CB ARG A 11 -5.002 -10.814 2.822 1.00 0.00 C ATOM 144 CG ARG A 11 -5.980 -11.973 2.619 1.00 0.00 C ATOM 145 CD ARG A 11 -6.228 -12.718 3.933 1.00 0.00 C ATOM 146 NE ARG A 11 -7.678 -12.947 4.119 1.00 0.00 N ATOM 147 CZ ARG A 11 -8.272 -13.100 5.322 1.00 0.00 C ATOM 148 NH1 ARG A 11 -7.543 -13.052 6.457 1.00 0.00 N ATOM 149 NH2 ARG A 11 -9.576 -13.299 5.371 1.00 0.00 N ATOM 0 H ARG A 11 -6.735 -9.017 1.179 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.577 -8.953 1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.018 -11.205 3.080 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.330 -10.199 3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.924 -11.593 2.229 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.582 -12.663 1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.699 -13.671 3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.833 -12.140 4.768 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.266 -12.992 3.286 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.536 -12.899 6.410 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.000 -13.169 7.362 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.119 -13.335 4.508 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.040 -13.417 6.271 1.00 0.00 H new ATOM 159 N GLU A 12 -3.664 -9.897 -0.508 1.00 0.00 N ATOM 160 CA GLU A 12 -2.719 -10.371 -1.504 1.00 0.00 C ATOM 161 C GLU A 12 -1.410 -9.583 -1.411 1.00 0.00 C ATOM 162 O GLU A 12 -1.420 -8.353 -1.423 1.00 0.00 O ATOM 163 CB GLU A 12 -3.314 -10.282 -2.911 1.00 0.00 C ATOM 164 CG GLU A 12 -2.987 -11.535 -3.726 1.00 0.00 C ATOM 165 CD GLU A 12 -1.907 -11.245 -4.769 1.00 0.00 C ATOM 166 OE1 GLU A 12 -2.138 -11.442 -5.971 1.00 0.00 O ATOM 167 OE2 GLU A 12 -0.794 -10.797 -4.293 1.00 0.00 O ATOM 0 H GLU A 12 -4.129 -9.020 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.504 -11.420 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.395 -10.159 -2.845 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.923 -9.401 -3.420 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.650 -12.329 -3.059 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.888 -11.896 -4.221 1.00 0.00 H new ATOM 173 N ALA A 13 -0.316 -10.323 -1.322 1.00 0.00 N ATOM 174 CA ALA A 13 0.998 -9.709 -1.227 1.00 0.00 C ATOM 175 C ALA A 13 2.034 -10.630 -1.876 1.00 0.00 C ATOM 176 O ALA A 13 1.847 -11.844 -1.923 1.00 0.00 O ATOM 177 CB ALA A 13 1.319 -9.413 0.239 1.00 0.00 C ATOM 0 H ALA A 13 -0.312 -11.343 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 13 1.018 -8.760 -1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.304 -8.953 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 13 0.571 -8.733 0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.311 -10.343 0.808 1.00 0.00 H new ATOM 183 N GLY A 14 3.104 -10.015 -2.359 1.00 0.00 N ATOM 184 CA GLY A 14 4.169 -10.764 -3.002 1.00 0.00 C ATOM 185 C GLY A 14 5.471 -9.960 -3.020 1.00 0.00 C ATOM 186 O GLY A 14 6.157 -9.903 -4.039 1.00 0.00 O ATOM 0 H GLY A 14 3.256 -9.007 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.326 -11.705 -2.475 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.878 -11.014 -4.022 1.00 0.00 H new ATOM 190 N SER A 15 5.773 -9.358 -1.879 1.00 0.00 N ATOM 191 CA SER A 15 6.980 -8.560 -1.749 1.00 0.00 C ATOM 192 C SER A 15 7.569 -8.724 -0.347 1.00 0.00 C ATOM 193 O SER A 15 7.022 -9.454 0.478 1.00 0.00 O ATOM 194 CB SER A 15 6.698 -7.083 -2.036 1.00 0.00 C ATOM 195 OG SER A 15 5.317 -6.845 -2.297 1.00 0.00 O ATOM 0 H SER A 15 5.202 -9.407 -1.035 1.00 0.00 H new ATOM 0 HA SER A 15 7.703 -8.914 -2.484 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.015 -6.481 -1.184 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.290 -6.760 -2.893 1.00 0.00 H new ATOM 0 HG SER A 15 4.995 -6.122 -1.719 1.00 0.00 H new ATOM 200 N LYS A 16 8.678 -8.034 -0.122 1.00 0.00 N ATOM 201 CA LYS A 16 9.348 -8.096 1.167 1.00 0.00 C ATOM 202 C LYS A 16 8.495 -7.376 2.214 1.00 0.00 C ATOM 203 O LYS A 16 8.806 -7.412 3.404 1.00 0.00 O ATOM 204 CB LYS A 16 10.773 -7.552 1.056 1.00 0.00 C ATOM 205 CG LYS A 16 11.598 -7.923 2.289 1.00 0.00 C ATOM 206 CD LYS A 16 12.714 -6.903 2.529 1.00 0.00 C ATOM 207 CE LYS A 16 14.058 -7.602 2.747 1.00 0.00 C ATOM 208 NZ LYS A 16 14.846 -7.610 1.495 1.00 0.00 N ATOM 0 H LYS A 16 9.129 -7.430 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 16 9.451 -9.131 1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.250 -7.951 0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.745 -6.468 0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.950 -7.971 3.164 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.029 -8.915 2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.785 -6.229 1.676 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.472 -6.292 3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.617 -7.092 3.532 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.892 -8.625 3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.755 -8.088 1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.318 -8.116 0.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.020 -6.632 1.188 1.00 0.00 H new ATOM 217 N SER A 17 7.436 -6.739 1.734 1.00 0.00 N ATOM 218 CA SER A 17 6.537 -6.014 2.614 1.00 0.00 C ATOM 219 C SER A 17 6.304 -6.811 3.899 1.00 0.00 C ATOM 220 O SER A 17 6.041 -6.234 4.952 1.00 0.00 O ATOM 221 CB SER A 17 5.205 -5.722 1.921 1.00 0.00 C ATOM 222 OG SER A 17 5.388 -5.201 0.607 1.00 0.00 O ATOM 0 H SER A 17 7.181 -6.711 0.747 1.00 0.00 H new ATOM 0 HA SER A 17 7.001 -5.061 2.866 1.00 0.00 H new ATOM 0 HB2 SER A 17 4.615 -6.637 1.869 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.635 -5.009 2.517 1.00 0.00 H new ATOM 0 HG SER A 17 6.137 -4.570 0.607 1.00 0.00 H new ATOM 227 N LYS A 18 6.411 -8.125 3.769 1.00 0.00 N ATOM 228 CA LYS A 18 6.215 -9.007 4.906 1.00 0.00 C ATOM 229 C LYS A 18 7.076 -8.525 6.076 1.00 0.00 C ATOM 230 O LYS A 18 6.778 -8.818 7.233 1.00 0.00 O ATOM 231 CB LYS A 18 6.479 -10.462 4.508 1.00 0.00 C ATOM 232 CG LYS A 18 5.552 -10.896 3.371 1.00 0.00 C ATOM 233 CD LYS A 18 5.811 -12.350 2.977 1.00 0.00 C ATOM 234 CE LYS A 18 4.817 -12.816 1.911 1.00 0.00 C ATOM 235 NZ LYS A 18 4.384 -14.206 2.178 1.00 0.00 N ATOM 0 H LYS A 18 6.631 -8.600 2.893 1.00 0.00 H new ATOM 0 HA LYS A 18 5.177 -8.974 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.518 -10.575 4.198 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.331 -11.111 5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.513 -10.779 3.679 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.703 -10.249 2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.828 -12.452 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.732 -12.988 3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.951 -12.155 1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.277 -12.755 0.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.710 -14.506 1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.212 -14.836 2.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.926 -14.254 3.110 1.00 0.00 H new ATOM 244 N GLY A 19 8.126 -7.793 5.733 1.00 0.00 N ATOM 245 CA GLY A 19 9.031 -7.266 6.740 1.00 0.00 C ATOM 246 C GLY A 19 8.445 -6.020 7.407 1.00 0.00 C ATOM 247 O GLY A 19 7.265 -5.718 7.237 1.00 0.00 O ATOM 0 H GLY A 19 8.370 -7.553 4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 19 9.225 -8.029 7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.988 -7.020 6.281 1.00 0.00 H new ATOM 251 N CYS A 20 9.296 -5.331 8.153 1.00 0.00 N ATOM 252 CA CYS A 20 8.877 -4.125 8.846 1.00 0.00 C ATOM 253 C CYS A 20 9.260 -2.919 7.986 1.00 0.00 C ATOM 254 O CYS A 20 9.971 -3.061 6.992 1.00 0.00 O ATOM 255 CB CYS A 20 9.483 -4.041 10.249 1.00 0.00 C ATOM 256 SG CYS A 20 9.568 -5.709 10.995 1.00 0.00 S ATOM 0 H CYS A 20 10.274 -5.585 8.293 1.00 0.00 H new ATOM 0 HA CYS A 20 7.796 -4.140 8.988 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.481 -3.605 10.198 1.00 0.00 H new ATOM 0 HB3 CYS A 20 8.880 -3.384 10.876 1.00 0.00 H new ATOM 0 HG CYS A 20 9.389 -5.619 12.280 1.00 0.00 H new ATOM 261 N ALA A 21 8.770 -1.760 8.398 1.00 0.00 N ATOM 262 CA ALA A 21 9.051 -0.530 7.678 1.00 0.00 C ATOM 263 C ALA A 21 10.555 -0.254 7.716 1.00 0.00 C ATOM 264 O ALA A 21 11.115 0.290 6.765 1.00 0.00 O ATOM 265 CB ALA A 21 8.233 0.615 8.282 1.00 0.00 C ATOM 0 H ALA A 21 8.180 -1.646 9.222 1.00 0.00 H new ATOM 0 HA ALA A 21 8.759 -0.623 6.632 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.444 1.538 7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.171 0.384 8.204 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.501 0.740 9.331 1.00 0.00 H new ATOM 271 N LEU A 22 11.168 -0.641 8.826 1.00 0.00 N ATOM 272 CA LEU A 22 12.596 -0.442 9.000 1.00 0.00 C ATOM 273 C LEU A 22 13.354 -1.565 8.288 1.00 0.00 C ATOM 274 O LEU A 22 14.150 -1.307 7.388 1.00 0.00 O ATOM 275 CB LEU A 22 12.942 -0.312 10.485 1.00 0.00 C ATOM 276 CG LEU A 22 12.904 1.105 11.060 1.00 0.00 C ATOM 277 CD1 LEU A 22 13.461 1.133 12.486 1.00 0.00 C ATOM 278 CD2 LEU A 22 13.632 2.090 10.143 1.00 0.00 C ATOM 0 H LEU A 22 10.701 -1.091 9.613 1.00 0.00 H new ATOM 0 HA LEU A 22 12.909 0.496 8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.250 -0.933 11.055 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.940 -0.720 10.642 1.00 0.00 H new ATOM 0 HG LEU A 22 11.863 1.423 11.113 1.00 0.00 H new ATOM 0 HD11 LEU A 22 13.423 2.152 12.872 1.00 0.00 H new ATOM 0 HD12 LEU A 22 12.863 0.481 13.123 1.00 0.00 H new ATOM 0 HD13 LEU A 22 14.494 0.786 12.480 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.590 3.089 10.576 1.00 0.00 H new ATOM 0 HD22 LEU A 22 14.673 1.785 10.035 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.153 2.098 9.164 1.00 0.00 H new ATOM 289 N CYS A 23 13.079 -2.787 8.720 1.00 0.00 N ATOM 290 CA CYS A 23 13.724 -3.950 8.136 1.00 0.00 C ATOM 291 C CYS A 23 12.754 -5.130 8.218 1.00 0.00 C ATOM 292 O CYS A 23 11.674 -5.011 8.796 1.00 0.00 O ATOM 293 CB CYS A 23 15.059 -4.259 8.818 1.00 0.00 C ATOM 294 SG CYS A 23 16.438 -3.994 7.645 1.00 0.00 S ATOM 0 H CYS A 23 12.418 -2.997 9.468 1.00 0.00 H new ATOM 0 HA CYS A 23 13.963 -3.750 7.091 1.00 0.00 H new ATOM 0 HB2 CYS A 23 15.187 -3.620 9.692 1.00 0.00 H new ATOM 0 HB3 CYS A 23 15.065 -5.290 9.173 1.00 0.00 H new ATOM 0 HG CYS A 23 17.566 -4.257 8.235 1.00 0.00 H new ATOM 299 N GLY A 24 13.174 -6.243 7.633 1.00 0.00 N ATOM 300 CA GLY A 24 12.355 -7.443 7.633 1.00 0.00 C ATOM 301 C GLY A 24 12.804 -8.412 8.729 1.00 0.00 C ATOM 302 O GLY A 24 13.942 -8.879 8.722 1.00 0.00 O ATOM 0 H GLY A 24 14.071 -6.338 7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 24 11.310 -7.174 7.786 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.420 -7.932 6.661 1.00 0.00 H new ATOM 306 N ALA A 25 11.886 -8.686 9.645 1.00 0.00 N ATOM 307 CA ALA A 25 12.174 -9.592 10.744 1.00 0.00 C ATOM 308 C ALA A 25 11.386 -10.889 10.551 1.00 0.00 C ATOM 309 O ALA A 25 11.971 -11.965 10.445 1.00 0.00 O ATOM 310 CB ALA A 25 11.847 -8.903 12.071 1.00 0.00 C ATOM 0 H ALA A 25 10.943 -8.297 9.648 1.00 0.00 H new ATOM 0 HA ALA A 25 13.233 -9.850 10.762 1.00 0.00 H new ATOM 0 HB1 ALA A 25 12.063 -9.582 12.896 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.454 -8.003 12.173 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.791 -8.633 12.090 1.00 0.00 H new ATOM 316 N THR A 26 10.069 -10.743 10.510 1.00 0.00 N ATOM 317 CA THR A 26 9.195 -11.890 10.331 1.00 0.00 C ATOM 318 C THR A 26 8.413 -11.765 9.022 1.00 0.00 C ATOM 319 O THR A 26 8.324 -10.680 8.448 1.00 0.00 O ATOM 320 CB THR A 26 8.298 -11.997 11.566 1.00 0.00 C ATOM 321 OG1 THR A 26 9.215 -12.104 12.652 1.00 0.00 O ATOM 322 CG2 THR A 26 7.516 -13.312 11.608 1.00 0.00 C ATOM 0 H THR A 26 9.587 -9.848 10.598 1.00 0.00 H new ATOM 0 HA THR A 26 9.767 -12.814 10.245 1.00 0.00 H new ATOM 0 HB THR A 26 7.601 -11.159 11.583 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.718 -12.176 13.494 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.895 -13.338 12.504 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.882 -13.387 10.725 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.213 -14.150 11.626 1.00 0.00 H new ATOM 330 N TRP A 27 7.867 -12.891 8.586 1.00 0.00 N ATOM 331 CA TRP A 27 7.096 -12.920 7.355 1.00 0.00 C ATOM 332 C TRP A 27 5.875 -13.815 7.583 1.00 0.00 C ATOM 333 O TRP A 27 6.012 -14.962 8.008 1.00 0.00 O ATOM 334 CB TRP A 27 7.960 -13.377 6.179 1.00 0.00 C ATOM 335 CG TRP A 27 7.830 -14.867 5.851 1.00 0.00 C ATOM 336 CD1 TRP A 27 7.037 -15.445 4.938 1.00 0.00 C ATOM 337 CD2 TRP A 27 8.549 -15.950 6.478 1.00 0.00 C ATOM 338 NE1 TRP A 27 7.192 -16.816 4.929 1.00 0.00 N ATOM 339 CE2 TRP A 27 8.141 -17.133 5.896 1.00 0.00 C ATOM 340 CE3 TRP A 27 9.512 -15.932 7.501 1.00 0.00 C ATOM 341 CZ2 TRP A 27 8.644 -18.384 6.270 1.00 0.00 C ATOM 342 CZ3 TRP A 27 10.005 -17.190 7.865 1.00 0.00 C ATOM 343 CH2 TRP A 27 9.605 -18.391 7.288 1.00 0.00 C ATOM 0 H TRP A 27 7.943 -13.789 9.063 1.00 0.00 H new ATOM 0 HA TRP A 27 6.751 -11.920 7.092 1.00 0.00 H new ATOM 0 HB2 TRP A 27 7.690 -12.797 5.297 1.00 0.00 H new ATOM 0 HB3 TRP A 27 9.004 -13.154 6.400 1.00 0.00 H new ATOM 0 HD1 TRP A 27 6.362 -14.905 4.291 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.701 -17.475 4.325 1.00 0.00 H new ATOM 0 HE3 TRP A 27 9.846 -15.018 7.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.309 -19.296 5.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 10.748 -17.231 8.648 1.00 0.00 H new ATOM 0 HH2 TRP A 27 10.034 -19.324 7.624 1.00 0.00 H new ATOM 353 N GLY A 28 4.710 -13.257 7.291 1.00 0.00 N ATOM 354 CA GLY A 28 3.467 -13.989 7.460 1.00 0.00 C ATOM 355 C GLY A 28 2.320 -13.303 6.714 1.00 0.00 C ATOM 356 O GLY A 28 2.260 -12.076 6.654 1.00 0.00 O ATOM 0 H GLY A 28 4.601 -12.306 6.938 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.588 -15.008 7.091 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.224 -14.061 8.520 1.00 0.00 H new ATOM 360 N ASP A 29 1.440 -14.125 6.162 1.00 0.00 N ATOM 361 CA ASP A 29 0.298 -13.613 5.423 1.00 0.00 C ATOM 362 C ASP A 29 -0.877 -13.411 6.381 1.00 0.00 C ATOM 363 O ASP A 29 -1.849 -12.737 6.044 1.00 0.00 O ATOM 364 CB ASP A 29 -0.140 -14.597 4.336 1.00 0.00 C ATOM 365 CG ASP A 29 0.932 -15.594 3.895 1.00 0.00 C ATOM 366 OD1 ASP A 29 1.387 -16.435 4.686 1.00 0.00 O ATOM 367 OD2 ASP A 29 1.307 -15.484 2.666 1.00 0.00 O ATOM 0 H ASP A 29 1.495 -15.142 6.212 1.00 0.00 H new ATOM 0 HA ASP A 29 0.591 -12.671 4.960 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.005 -15.153 4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.468 -14.030 3.465 1.00 0.00 H new ATOM 372 N TYR A 30 -0.749 -14.007 7.557 1.00 0.00 N ATOM 373 CA TYR A 30 -1.789 -13.902 8.567 1.00 0.00 C ATOM 374 C TYR A 30 -1.699 -12.566 9.308 1.00 0.00 C ATOM 375 O TYR A 30 -2.501 -12.293 10.199 1.00 0.00 O ATOM 376 CB TYR A 30 -1.530 -15.039 9.557 1.00 0.00 C ATOM 377 CG TYR A 30 -2.378 -14.961 10.829 1.00 0.00 C ATOM 378 CD1 TYR A 30 -3.729 -14.690 10.742 1.00 0.00 C ATOM 379 CD2 TYR A 30 -1.792 -15.160 12.063 1.00 0.00 C ATOM 380 CE1 TYR A 30 -4.527 -14.616 11.939 1.00 0.00 C ATOM 381 CE2 TYR A 30 -2.590 -15.085 13.259 1.00 0.00 C ATOM 382 CZ TYR A 30 -3.918 -14.817 13.138 1.00 0.00 C ATOM 383 OH TYR A 30 -4.672 -14.747 14.268 1.00 0.00 O ATOM 0 H TYR A 30 0.059 -14.565 7.833 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.777 -13.962 8.110 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.724 -15.990 9.061 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -0.476 -15.033 9.834 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.187 -14.534 9.777 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.735 -15.372 12.131 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.585 -14.406 11.885 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.144 -15.238 14.231 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.105 -14.912 15.050 1.00 0.00 H new ATOM 392 N HIS A 31 -0.718 -11.770 8.910 1.00 0.00 N ATOM 393 CA HIS A 31 -0.513 -10.469 9.525 1.00 0.00 C ATOM 394 C HIS A 31 -1.279 -9.404 8.738 1.00 0.00 C ATOM 395 O HIS A 31 -1.883 -9.702 7.708 1.00 0.00 O ATOM 396 CB HIS A 31 0.978 -10.156 9.650 1.00 0.00 C ATOM 397 CG HIS A 31 1.775 -11.229 10.355 1.00 0.00 C ATOM 398 ND1 HIS A 31 1.692 -12.567 10.015 1.00 0.00 N ATOM 399 CD2 HIS A 31 2.669 -11.146 11.381 1.00 0.00 C ATOM 400 CE1 HIS A 31 2.504 -13.250 10.808 1.00 0.00 C ATOM 401 NE2 HIS A 31 3.108 -12.368 11.654 1.00 0.00 N ATOM 0 H HIS A 31 -0.056 -12.000 8.169 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.909 -10.476 10.541 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.392 -10.007 8.653 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.097 -9.216 10.189 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.969 -10.240 11.886 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.660 -14.318 10.788 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.786 -12.608 12.378 1.00 0.00 H new ATOM 408 N ALA A 32 -1.231 -8.184 9.253 1.00 0.00 N ATOM 409 CA ALA A 32 -1.912 -7.073 8.612 1.00 0.00 C ATOM 410 C ALA A 32 -0.879 -6.164 7.943 1.00 0.00 C ATOM 411 O ALA A 32 0.125 -5.803 8.557 1.00 0.00 O ATOM 412 CB ALA A 32 -2.761 -6.330 9.645 1.00 0.00 C ATOM 0 H ALA A 32 -0.730 -7.941 10.108 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.586 -7.433 7.835 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.272 -5.496 9.164 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.498 -7.012 10.068 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.118 -5.952 10.440 1.00 0.00 H new ATOM 418 N ASP A 33 -1.159 -5.820 6.695 1.00 0.00 N ATOM 419 CA ASP A 33 -0.267 -4.961 5.937 1.00 0.00 C ATOM 420 C ASP A 33 -0.862 -3.552 5.863 1.00 0.00 C ATOM 421 O ASP A 33 -2.080 -3.388 5.893 1.00 0.00 O ATOM 422 CB ASP A 33 -0.090 -5.474 4.507 1.00 0.00 C ATOM 423 CG ASP A 33 1.276 -6.094 4.206 1.00 0.00 C ATOM 424 OD1 ASP A 33 2.307 -5.656 4.739 1.00 0.00 O ATOM 425 OD2 ASP A 33 1.257 -7.081 3.376 1.00 0.00 O ATOM 0 H ASP A 33 -1.992 -6.121 6.190 1.00 0.00 H new ATOM 0 HA ASP A 33 0.700 -4.954 6.440 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.862 -6.217 4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.256 -4.647 3.817 1.00 0.00 H new ATOM 430 N PHE A 34 0.025 -2.574 5.767 1.00 0.00 N ATOM 431 CA PHE A 34 -0.397 -1.185 5.689 1.00 0.00 C ATOM 432 C PHE A 34 0.132 -0.523 4.416 1.00 0.00 C ATOM 433 O PHE A 34 0.935 -1.110 3.693 1.00 0.00 O ATOM 434 CB PHE A 34 0.192 -0.469 6.906 1.00 0.00 C ATOM 435 CG PHE A 34 -0.557 -0.742 8.212 1.00 0.00 C ATOM 436 CD1 PHE A 34 -1.917 -0.743 8.228 1.00 0.00 C ATOM 437 CD2 PHE A 34 0.137 -0.982 9.356 1.00 0.00 C ATOM 438 CE1 PHE A 34 -2.612 -0.996 9.440 1.00 0.00 C ATOM 439 CE2 PHE A 34 -0.558 -1.236 10.568 1.00 0.00 C ATOM 440 CZ PHE A 34 -1.918 -1.237 10.585 1.00 0.00 C ATOM 0 H PHE A 34 1.035 -2.715 5.741 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.485 -1.127 5.671 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.232 -0.773 7.025 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.193 0.605 6.718 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.468 -0.551 7.319 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.217 -0.979 9.343 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -3.692 -0.997 9.453 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.007 -1.428 11.476 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.447 -1.429 11.507 1.00 0.00 H new ATOM 449 N LEU A 35 -0.341 0.693 4.180 1.00 0.00 N ATOM 450 CA LEU A 35 0.075 1.442 3.007 1.00 0.00 C ATOM 451 C LEU A 35 1.603 1.463 2.935 1.00 0.00 C ATOM 452 O LEU A 35 2.175 1.668 1.865 1.00 0.00 O ATOM 453 CB LEU A 35 -0.559 2.835 3.008 1.00 0.00 C ATOM 454 CG LEU A 35 0.271 3.949 3.648 1.00 0.00 C ATOM 455 CD1 LEU A 35 0.900 3.479 4.961 1.00 0.00 C ATOM 456 CD2 LEU A 35 1.318 4.484 2.669 1.00 0.00 C ATOM 0 H LEU A 35 -1.008 1.177 4.781 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.281 0.955 2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.774 3.116 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.515 2.777 3.528 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.396 4.777 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.485 4.290 5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.114 3.186 5.657 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.550 2.626 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.894 5.275 3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.987 3.676 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.820 4.883 1.786 1.00 0.00 H new ATOM 467 N GLY A 36 2.221 1.248 4.087 1.00 0.00 N ATOM 468 CA GLY A 36 3.672 1.239 4.168 1.00 0.00 C ATOM 469 C GLY A 36 4.237 -0.120 3.749 1.00 0.00 C ATOM 470 O GLY A 36 5.411 -0.405 3.975 1.00 0.00 O ATOM 0 H GLY A 36 1.743 1.079 4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.080 2.020 3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.984 1.468 5.187 1.00 0.00 H new ATOM 474 N GLU A 37 3.372 -0.923 3.146 1.00 0.00 N ATOM 475 CA GLU A 37 3.770 -2.245 2.694 1.00 0.00 C ATOM 476 C GLU A 37 4.700 -2.899 3.718 1.00 0.00 C ATOM 477 O GLU A 37 5.780 -3.372 3.367 1.00 0.00 O ATOM 478 CB GLU A 37 4.432 -2.178 1.316 1.00 0.00 C ATOM 479 CG GLU A 37 5.735 -1.379 1.373 1.00 0.00 C ATOM 480 CD GLU A 37 6.685 -1.800 0.250 1.00 0.00 C ATOM 481 OE1 GLU A 37 6.229 -2.235 -0.818 1.00 0.00 O ATOM 482 OE2 GLU A 37 7.940 -1.662 0.516 1.00 0.00 O ATOM 0 H GLU A 37 2.398 -0.683 2.960 1.00 0.00 H new ATOM 0 HA GLU A 37 2.875 -2.860 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.635 -3.187 0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.749 -1.717 0.602 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.517 -0.314 1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.217 -1.531 2.339 1.00 0.00 H new ATOM 488 N ASP A 38 4.247 -2.905 4.963 1.00 0.00 N ATOM 489 CA ASP A 38 5.025 -3.494 6.040 1.00 0.00 C ATOM 490 C ASP A 38 4.093 -4.266 6.974 1.00 0.00 C ATOM 491 O ASP A 38 2.872 -4.170 6.857 1.00 0.00 O ATOM 492 CB ASP A 38 5.730 -2.413 6.863 1.00 0.00 C ATOM 493 CG ASP A 38 6.573 -1.428 6.049 1.00 0.00 C ATOM 494 OD1 ASP A 38 6.397 -0.204 6.149 1.00 0.00 O ATOM 495 OD2 ASP A 38 7.452 -1.969 5.276 1.00 0.00 O ATOM 0 H ASP A 38 3.351 -2.511 5.250 1.00 0.00 H new ATOM 0 HA ASP A 38 5.770 -4.154 5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.978 -1.852 7.418 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.373 -2.898 7.597 1.00 0.00 H new ATOM 500 N LEU A 39 4.702 -5.013 7.883 1.00 0.00 N ATOM 501 CA LEU A 39 3.941 -5.802 8.837 1.00 0.00 C ATOM 502 C LEU A 39 4.203 -5.275 10.250 1.00 0.00 C ATOM 503 O LEU A 39 5.335 -5.305 10.728 1.00 0.00 O ATOM 504 CB LEU A 39 4.251 -7.290 8.669 1.00 0.00 C ATOM 505 CG LEU A 39 3.111 -8.155 8.126 1.00 0.00 C ATOM 506 CD1 LEU A 39 2.421 -7.473 6.943 1.00 0.00 C ATOM 507 CD2 LEU A 39 3.608 -9.557 7.767 1.00 0.00 C ATOM 0 H LEU A 39 5.715 -5.089 7.979 1.00 0.00 H new ATOM 0 HA LEU A 39 2.872 -5.700 8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.106 -7.390 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.554 -7.689 9.637 1.00 0.00 H new ATOM 0 HG LEU A 39 2.366 -8.269 8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.615 -8.109 6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.011 -6.515 7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.145 -7.308 6.145 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.778 -10.150 7.384 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.384 -9.484 7.005 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.017 -10.037 8.656 1.00 0.00 H new ATOM 518 N PHE A 40 3.135 -4.804 10.878 1.00 0.00 N ATOM 519 CA PHE A 40 3.234 -4.272 12.226 1.00 0.00 C ATOM 520 C PHE A 40 2.657 -5.253 13.247 1.00 0.00 C ATOM 521 O PHE A 40 2.301 -4.862 14.357 1.00 0.00 O ATOM 522 CB PHE A 40 2.415 -2.980 12.258 1.00 0.00 C ATOM 523 CG PHE A 40 0.995 -3.157 12.797 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.201 -4.148 12.308 1.00 0.00 C ATOM 525 CD2 PHE A 40 0.525 -2.325 13.764 1.00 0.00 C ATOM 526 CE1 PHE A 40 -1.118 -4.313 12.808 1.00 0.00 C ATOM 527 CE2 PHE A 40 -0.794 -2.489 14.264 1.00 0.00 C ATOM 528 CZ PHE A 40 -1.588 -3.480 13.776 1.00 0.00 C ATOM 0 H PHE A 40 2.197 -4.780 10.478 1.00 0.00 H new ATOM 0 HA PHE A 40 4.279 -4.098 12.481 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.937 -2.246 12.872 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.361 -2.571 11.249 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.574 -4.809 11.540 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.155 -1.539 14.152 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.748 -5.100 12.420 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.167 -1.827 15.032 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.591 -3.606 14.157 1.00 0.00 H new ATOM 537 N PHE A 41 2.582 -6.511 12.835 1.00 0.00 N ATOM 538 CA PHE A 41 2.054 -7.551 13.700 1.00 0.00 C ATOM 539 C PHE A 41 3.164 -8.499 14.158 1.00 0.00 C ATOM 540 O PHE A 41 2.910 -9.445 14.903 1.00 0.00 O ATOM 541 CB PHE A 41 1.033 -8.341 12.878 1.00 0.00 C ATOM 542 CG PHE A 41 -0.355 -8.418 13.519 1.00 0.00 C ATOM 543 CD1 PHE A 41 -0.567 -9.234 14.586 1.00 0.00 C ATOM 544 CD2 PHE A 41 -1.376 -7.672 13.020 1.00 0.00 C ATOM 545 CE1 PHE A 41 -1.855 -9.306 15.179 1.00 0.00 C ATOM 546 CE2 PHE A 41 -2.664 -7.744 13.614 1.00 0.00 C ATOM 547 CZ PHE A 41 -2.876 -8.559 14.681 1.00 0.00 C ATOM 0 H PHE A 41 2.878 -6.832 11.913 1.00 0.00 H new ATOM 0 HA PHE A 41 1.605 -7.104 14.587 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.942 -7.883 11.893 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.409 -9.353 12.726 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.244 -9.827 14.982 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.208 -7.025 12.172 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.024 -9.954 16.026 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.475 -7.151 13.218 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.855 -8.613 15.133 1.00 0.00 H new ATOM 556 N CYS A 42 4.372 -8.213 13.696 1.00 0.00 N ATOM 557 CA CYS A 42 5.522 -9.028 14.048 1.00 0.00 C ATOM 558 C CYS A 42 6.246 -8.356 15.217 1.00 0.00 C ATOM 559 O CYS A 42 6.452 -8.974 16.261 1.00 0.00 O ATOM 560 CB CYS A 42 6.450 -9.245 12.852 1.00 0.00 C ATOM 561 SG CYS A 42 6.630 -7.686 11.909 1.00 0.00 S ATOM 0 H CYS A 42 4.580 -7.427 13.080 1.00 0.00 H new ATOM 0 HA CYS A 42 5.188 -10.021 14.349 1.00 0.00 H new ATOM 0 HB2 CYS A 42 7.426 -9.587 13.196 1.00 0.00 H new ATOM 0 HB3 CYS A 42 6.048 -10.026 12.206 1.00 0.00 H new ATOM 0 HG CYS A 42 7.890 -7.384 11.806 1.00 0.00 H new ATOM 566 N CYS A 43 6.611 -7.101 15.004 1.00 0.00 N ATOM 567 CA CYS A 43 7.307 -6.340 16.027 1.00 0.00 C ATOM 568 C CYS A 43 6.357 -5.264 16.554 1.00 0.00 C ATOM 569 O CYS A 43 6.157 -5.144 17.762 1.00 0.00 O ATOM 570 CB CYS A 43 8.612 -5.740 15.496 1.00 0.00 C ATOM 571 SG CYS A 43 8.327 -4.971 13.861 1.00 0.00 S ATOM 0 H CYS A 43 6.438 -6.592 14.137 1.00 0.00 H new ATOM 0 HA CYS A 43 7.594 -7.001 16.844 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.991 -4.996 16.196 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.372 -6.517 15.414 1.00 0.00 H new ATOM 0 HG CYS A 43 7.813 -5.849 13.052 1.00 0.00 H new ATOM 576 N ASP A 44 5.797 -4.506 15.623 1.00 0.00 N ATOM 577 CA ASP A 44 4.872 -3.442 15.979 1.00 0.00 C ATOM 578 C ASP A 44 5.569 -2.463 16.925 1.00 0.00 C ATOM 579 O ASP A 44 4.911 -1.657 17.584 1.00 0.00 O ATOM 580 CB ASP A 44 3.642 -4.001 16.697 1.00 0.00 C ATOM 581 CG ASP A 44 3.803 -4.187 18.207 1.00 0.00 C ATOM 582 OD1 ASP A 44 3.805 -3.213 18.974 1.00 0.00 O ATOM 583 OD2 ASP A 44 3.933 -5.411 18.594 1.00 0.00 O ATOM 0 H ASP A 44 5.966 -4.607 14.622 1.00 0.00 H new ATOM 0 HA ASP A 44 4.559 -2.944 15.061 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.800 -3.333 16.516 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.387 -4.963 16.253 1.00 0.00 H new ATOM 588 N ILE A 45 6.889 -2.565 16.965 1.00 0.00 N ATOM 589 CA ILE A 45 7.681 -1.697 17.820 1.00 0.00 C ATOM 590 C ILE A 45 8.342 -0.613 16.967 1.00 0.00 C ATOM 591 O ILE A 45 8.077 0.575 17.152 1.00 0.00 O ATOM 592 CB ILE A 45 8.673 -2.520 18.645 1.00 0.00 C ATOM 593 CG1 ILE A 45 8.102 -2.842 20.027 1.00 0.00 C ATOM 594 CG2 ILE A 45 10.029 -1.816 18.733 1.00 0.00 C ATOM 595 CD1 ILE A 45 7.136 -4.026 19.960 1.00 0.00 C ATOM 0 H ILE A 45 7.430 -3.235 16.419 1.00 0.00 H new ATOM 0 HA ILE A 45 7.043 -1.189 18.543 1.00 0.00 H new ATOM 0 HB ILE A 45 8.836 -3.470 18.136 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.915 -3.070 20.716 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.585 -1.968 20.423 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.716 -2.422 19.325 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.435 -1.682 17.730 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.903 -0.842 19.207 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.745 -4.233 20.956 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.311 -3.785 19.289 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.662 -4.904 19.587 1.00 0.00 H new ATOM 606 N CYS A 46 9.190 -1.058 16.052 1.00 0.00 N ATOM 607 CA CYS A 46 9.890 -0.140 15.170 1.00 0.00 C ATOM 608 C CYS A 46 9.054 0.041 13.902 1.00 0.00 C ATOM 609 O CYS A 46 9.335 0.920 13.088 1.00 0.00 O ATOM 610 CB CYS A 46 11.306 -0.627 14.855 1.00 0.00 C ATOM 611 SG CYS A 46 11.243 -1.987 13.633 1.00 0.00 S ATOM 0 H CYS A 46 9.408 -2.043 15.902 1.00 0.00 H new ATOM 0 HA CYS A 46 10.009 0.824 15.665 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.904 0.196 14.464 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.793 -0.970 15.768 1.00 0.00 H new ATOM 0 HG CYS A 46 12.450 -2.391 13.371 1.00 0.00 H new ATOM 616 N ALA A 47 8.043 -0.806 13.773 1.00 0.00 N ATOM 617 CA ALA A 47 7.164 -0.750 12.618 1.00 0.00 C ATOM 618 C ALA A 47 5.876 -0.015 12.996 1.00 0.00 C ATOM 619 O ALA A 47 5.590 0.176 14.177 1.00 0.00 O ATOM 620 CB ALA A 47 6.896 -2.170 12.111 1.00 0.00 C ATOM 0 H ALA A 47 7.813 -1.534 14.449 1.00 0.00 H new ATOM 0 HA ALA A 47 7.634 -0.195 11.806 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.236 -2.128 11.244 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.838 -2.639 11.828 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.422 -2.755 12.900 1.00 0.00 H new ATOM 626 N ALA A 48 5.133 0.378 11.971 1.00 0.00 N ATOM 627 CA ALA A 48 3.884 1.089 12.181 1.00 0.00 C ATOM 628 C ALA A 48 4.184 2.555 12.500 1.00 0.00 C ATOM 629 O ALA A 48 3.903 3.025 13.601 1.00 0.00 O ATOM 630 CB ALA A 48 3.087 0.402 13.292 1.00 0.00 C ATOM 0 H ALA A 48 5.373 0.217 10.993 1.00 0.00 H new ATOM 0 HA ALA A 48 3.273 1.067 11.279 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.149 0.935 13.450 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.875 -0.628 13.004 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.668 0.409 14.214 1.00 0.00 H new ATOM 636 N GLU A 49 4.749 3.238 11.515 1.00 0.00 N ATOM 637 CA GLU A 49 5.090 4.641 11.676 1.00 0.00 C ATOM 638 C GLU A 49 3.873 5.520 11.381 1.00 0.00 C ATOM 639 O GLU A 49 3.176 5.309 10.388 1.00 0.00 O ATOM 640 CB GLU A 49 6.272 5.024 10.785 1.00 0.00 C ATOM 641 CG GLU A 49 6.911 6.334 11.253 1.00 0.00 C ATOM 642 CD GLU A 49 8.130 6.064 12.136 1.00 0.00 C ATOM 643 OE1 GLU A 49 9.111 6.821 12.087 1.00 0.00 O ATOM 644 OE2 GLU A 49 8.034 5.025 12.896 1.00 0.00 O ATOM 0 H GLU A 49 4.979 2.845 10.602 1.00 0.00 H new ATOM 0 HA GLU A 49 5.390 4.805 12.711 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.016 4.227 10.799 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.936 5.128 9.753 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.208 6.927 10.388 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.179 6.922 11.807 1.00 0.00 H new ATOM 650 N PHE A 50 3.653 6.487 12.259 1.00 0.00 N ATOM 651 CA PHE A 50 2.533 7.399 12.105 1.00 0.00 C ATOM 652 C PHE A 50 2.829 8.456 11.039 1.00 0.00 C ATOM 653 O PHE A 50 2.003 9.330 10.781 1.00 0.00 O ATOM 654 CB PHE A 50 2.332 8.093 13.453 1.00 0.00 C ATOM 655 CG PHE A 50 1.077 7.644 14.204 1.00 0.00 C ATOM 656 CD1 PHE A 50 -0.129 7.645 13.576 1.00 0.00 C ATOM 657 CD2 PHE A 50 1.168 7.242 15.500 1.00 0.00 C ATOM 658 CE1 PHE A 50 -1.293 7.229 14.272 1.00 0.00 C ATOM 659 CE2 PHE A 50 0.003 6.825 16.197 1.00 0.00 C ATOM 660 CZ PHE A 50 -1.204 6.827 15.568 1.00 0.00 C ATOM 0 H PHE A 50 4.232 6.659 13.081 1.00 0.00 H new ATOM 0 HA PHE A 50 1.645 6.848 11.795 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.204 7.906 14.080 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.280 9.170 13.291 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.201 7.963 12.546 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.126 7.240 15.999 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.250 7.232 13.772 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.075 6.506 17.226 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.090 6.510 16.098 1.00 0.00 H new ATOM 669 N MET A 51 4.009 8.340 10.449 1.00 0.00 N ATOM 670 CA MET A 51 4.425 9.275 9.416 1.00 0.00 C ATOM 671 C MET A 51 3.387 9.350 8.295 1.00 0.00 C ATOM 672 O MET A 51 3.313 10.347 7.577 1.00 0.00 O ATOM 673 CB MET A 51 5.770 8.833 8.838 1.00 0.00 C ATOM 674 CG MET A 51 5.633 7.516 8.073 1.00 0.00 C ATOM 675 SD MET A 51 7.218 7.022 7.418 1.00 0.00 S ATOM 676 CE MET A 51 7.109 7.723 5.780 1.00 0.00 C ATOM 0 H MET A 51 4.691 7.613 10.666 1.00 0.00 H new ATOM 0 HA MET A 51 4.520 10.264 9.864 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.155 9.606 8.173 1.00 0.00 H new ATOM 0 HB3 MET A 51 6.495 8.716 9.644 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.246 6.741 8.734 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.915 7.631 7.261 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.024 7.506 5.230 1.00 0.00 H new ATOM 0 HE2 MET A 51 6.258 7.289 5.255 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.978 8.803 5.854 1.00 0.00 H new ATOM 684 N ASN A 52 2.610 8.282 8.178 1.00 0.00 N ATOM 685 CA ASN A 52 1.580 8.214 7.155 1.00 0.00 C ATOM 686 C ASN A 52 0.259 8.725 7.734 1.00 0.00 C ATOM 687 O ASN A 52 0.209 9.166 8.882 1.00 0.00 O ATOM 688 CB ASN A 52 1.366 6.774 6.685 1.00 0.00 C ATOM 689 CG ASN A 52 2.051 6.529 5.339 1.00 0.00 C ATOM 690 OD1 ASN A 52 1.708 7.112 4.324 1.00 0.00 O ATOM 691 ND2 ASN A 52 3.036 5.638 5.389 1.00 0.00 N ATOM 0 H ASN A 52 2.673 7.457 8.775 1.00 0.00 H new ATOM 0 HA ASN A 52 1.901 8.824 6.311 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.761 6.082 7.429 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.299 6.572 6.596 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.557 5.405 4.543 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.271 5.187 6.273 1.00 0.00 H new ATOM 697 N MET A 53 -0.779 8.647 6.915 1.00 0.00 N ATOM 698 CA MET A 53 -2.097 9.095 7.330 1.00 0.00 C ATOM 699 C MET A 53 -2.840 7.989 8.081 1.00 0.00 C ATOM 700 O MET A 53 -2.428 6.830 8.054 1.00 0.00 O ATOM 701 CB MET A 53 -2.906 9.511 6.101 1.00 0.00 C ATOM 702 CG MET A 53 -2.704 10.995 5.787 1.00 0.00 C ATOM 703 SD MET A 53 -1.323 11.201 4.676 1.00 0.00 S ATOM 704 CE MET A 53 -0.041 11.613 5.849 1.00 0.00 C ATOM 0 H MET A 53 -0.734 8.280 5.965 1.00 0.00 H new ATOM 0 HA MET A 53 -1.977 9.946 8.000 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.605 8.910 5.243 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.964 9.313 6.274 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.608 11.406 5.337 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.526 11.549 6.709 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.174 12.680 5.793 1.00 0.00 H new ATOM 0 HE2 MET A 53 -0.375 11.363 6.856 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.861 11.048 5.615 1.00 0.00 H new ATOM 712 N MET A 54 -3.923 8.385 8.735 1.00 0.00 N ATOM 713 CA MET A 54 -4.728 7.442 9.492 1.00 0.00 C ATOM 714 C MET A 54 -5.377 6.409 8.568 1.00 0.00 C ATOM 715 O MET A 54 -5.309 5.209 8.828 1.00 0.00 O ATOM 716 CB MET A 54 -5.816 8.198 10.257 1.00 0.00 C ATOM 717 CG MET A 54 -6.366 7.352 11.407 1.00 0.00 C ATOM 718 SD MET A 54 -8.017 6.794 11.020 1.00 0.00 S ATOM 719 CE MET A 54 -8.868 8.361 10.964 1.00 0.00 C ATOM 0 H MET A 54 -4.261 9.347 8.756 1.00 0.00 H new ATOM 0 HA MET A 54 -4.077 6.918 10.192 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.409 9.130 10.649 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.625 8.464 9.577 1.00 0.00 H new ATOM 0 HG2 MET A 54 -5.716 6.495 11.582 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.377 7.937 12.327 1.00 0.00 H new ATOM 0 HE1 MET A 54 -9.881 8.239 11.347 1.00 0.00 H new ATOM 0 HE2 MET A 54 -8.333 9.087 11.576 1.00 0.00 H new ATOM 0 HE3 MET A 54 -8.910 8.716 9.934 1.00 0.00 H new ATOM 727 N ASP A 55 -5.990 6.914 7.508 1.00 0.00 N ATOM 728 CA ASP A 55 -6.650 6.050 6.544 1.00 0.00 C ATOM 729 C ASP A 55 -5.708 4.906 6.161 1.00 0.00 C ATOM 730 O ASP A 55 -6.146 3.771 5.983 1.00 0.00 O ATOM 731 CB ASP A 55 -7.004 6.817 5.269 1.00 0.00 C ATOM 732 CG ASP A 55 -7.568 8.221 5.495 1.00 0.00 C ATOM 733 OD1 ASP A 55 -7.227 9.170 4.772 1.00 0.00 O ATOM 734 OD2 ASP A 55 -8.402 8.322 6.473 1.00 0.00 O ATOM 0 H ASP A 55 -6.044 7.910 7.295 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.563 5.670 7.002 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.110 6.896 4.650 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.732 6.236 4.704 1.00 0.00 H new ATOM 739 N GLU A 56 -4.432 5.246 6.047 1.00 0.00 N ATOM 740 CA GLU A 56 -3.425 4.262 5.689 1.00 0.00 C ATOM 741 C GLU A 56 -3.628 2.977 6.495 1.00 0.00 C ATOM 742 O GLU A 56 -3.732 1.892 5.926 1.00 0.00 O ATOM 743 CB GLU A 56 -2.016 4.822 5.893 1.00 0.00 C ATOM 744 CG GLU A 56 -1.866 6.188 5.222 1.00 0.00 C ATOM 745 CD GLU A 56 -2.729 6.279 3.963 1.00 0.00 C ATOM 746 OE1 GLU A 56 -3.723 7.020 3.944 1.00 0.00 O ATOM 747 OE2 GLU A 56 -2.336 5.544 2.978 1.00 0.00 O ATOM 0 H GLU A 56 -4.073 6.189 6.196 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.536 4.024 4.631 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.807 4.912 6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.282 4.129 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.153 6.974 5.921 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.821 6.357 4.963 1.00 0.00 H new ATOM 753 N ALA A 57 -3.677 3.144 7.809 1.00 0.00 N ATOM 754 CA ALA A 57 -3.864 2.011 8.700 1.00 0.00 C ATOM 755 C ALA A 57 -5.247 1.401 8.459 1.00 0.00 C ATOM 756 O ALA A 57 -5.419 0.187 8.552 1.00 0.00 O ATOM 757 CB ALA A 57 -3.670 2.463 10.149 1.00 0.00 C ATOM 0 H ALA A 57 -3.591 4.046 8.278 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.123 1.238 8.498 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.810 1.613 10.817 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.663 2.861 10.274 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.398 3.237 10.389 1.00 0.00 H new ATOM 763 N PHE A 58 -6.197 2.274 8.155 1.00 0.00 N ATOM 764 CA PHE A 58 -7.560 1.838 7.900 1.00 0.00 C ATOM 765 C PHE A 58 -7.620 0.910 6.684 1.00 0.00 C ATOM 766 O PHE A 58 -8.408 -0.034 6.658 1.00 0.00 O ATOM 767 CB PHE A 58 -8.384 3.093 7.609 1.00 0.00 C ATOM 768 CG PHE A 58 -9.886 2.920 7.848 1.00 0.00 C ATOM 769 CD1 PHE A 58 -10.393 1.690 8.128 1.00 0.00 C ATOM 770 CD2 PHE A 58 -10.714 3.996 7.780 1.00 0.00 C ATOM 771 CE1 PHE A 58 -11.786 1.528 8.350 1.00 0.00 C ATOM 772 CE2 PHE A 58 -12.107 3.836 8.001 1.00 0.00 C ATOM 773 CZ PHE A 58 -12.614 2.605 8.281 1.00 0.00 C ATOM 0 H PHE A 58 -6.050 3.281 8.080 1.00 0.00 H new ATOM 0 HA PHE A 58 -7.943 1.291 8.761 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.019 3.908 8.234 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.223 3.389 6.572 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.735 0.835 8.182 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -10.312 4.973 7.558 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -12.188 0.551 8.573 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -12.764 4.691 7.947 1.00 0.00 H new ATOM 0 HZ PHE A 58 -13.674 2.483 8.448 1.00 0.00 H new ATOM 782 N LYS A 59 -6.776 1.211 5.708 1.00 0.00 N ATOM 783 CA LYS A 59 -6.725 0.416 4.493 1.00 0.00 C ATOM 784 C LYS A 59 -6.713 -1.070 4.860 1.00 0.00 C ATOM 785 O LYS A 59 -7.340 -1.884 4.185 1.00 0.00 O ATOM 786 CB LYS A 59 -5.540 0.844 3.624 1.00 0.00 C ATOM 787 CG LYS A 59 -5.213 -0.225 2.578 1.00 0.00 C ATOM 788 CD LYS A 59 -6.310 -0.306 1.515 1.00 0.00 C ATOM 789 CE LYS A 59 -6.107 -1.522 0.608 1.00 0.00 C ATOM 790 NZ LYS A 59 -7.225 -1.644 -0.353 1.00 0.00 N ATOM 0 H LYS A 59 -6.123 1.994 5.734 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.615 0.588 3.887 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.771 1.786 3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.668 1.021 4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.259 0.005 2.104 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.102 -1.194 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.285 -0.367 1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.308 0.604 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.165 -1.427 0.068 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.039 -2.427 1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.606 -2.611 -0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.975 -0.968 -0.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.882 -1.438 -1.313 1.00 0.00 H new ATOM 799 N HIS A 60 -5.994 -1.376 5.930 1.00 0.00 N ATOM 800 CA HIS A 60 -5.892 -2.749 6.396 1.00 0.00 C ATOM 801 C HIS A 60 -7.288 -3.285 6.721 1.00 0.00 C ATOM 802 O HIS A 60 -7.692 -4.328 6.210 1.00 0.00 O ATOM 803 CB HIS A 60 -4.927 -2.852 7.578 1.00 0.00 C ATOM 804 CG HIS A 60 -5.392 -3.785 8.671 1.00 0.00 C ATOM 805 ND1 HIS A 60 -5.463 -5.145 8.710 1.00 0.00 N flip ATOM 806 CD2 HIS A 60 -5.853 -3.333 9.896 1.00 0.00 C flip ATOM 807 CE1 HIS A 60 -5.940 -5.507 9.895 1.00 0.00 C flip ATOM 808 NE2 HIS A 60 -6.182 -4.385 10.632 1.00 0.00 N flip ATOM 0 H HIS A 60 -5.476 -0.697 6.488 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.475 -3.375 5.607 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.957 -3.191 7.214 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.779 -1.858 8.001 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -5.931 -2.300 10.200 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.109 -6.523 10.222 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.551 -4.360 11.582 1.00 0.00 H new ATOM 815 N THR A 61 -7.987 -2.545 7.570 1.00 0.00 N ATOM 816 CA THR A 61 -9.329 -2.933 7.970 1.00 0.00 C ATOM 817 C THR A 61 -10.259 -2.965 6.756 1.00 0.00 C ATOM 818 O THR A 61 -11.157 -3.803 6.678 1.00 0.00 O ATOM 819 CB THR A 61 -9.793 -1.971 9.065 1.00 0.00 C ATOM 820 OG1 THR A 61 -8.638 -1.788 9.879 1.00 0.00 O ATOM 821 CG2 THR A 61 -10.816 -2.606 10.008 1.00 0.00 C ATOM 0 H THR A 61 -7.649 -1.680 7.991 1.00 0.00 H new ATOM 0 HA THR A 61 -9.343 -3.944 8.378 1.00 0.00 H new ATOM 0 HB THR A 61 -10.225 -1.082 8.607 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.850 -1.176 10.614 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.112 -1.881 10.766 1.00 0.00 H new ATOM 0 HG22 THR A 61 -11.693 -2.914 9.439 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.373 -3.476 10.492 1.00 0.00 H new ATOM 829 N ALA A 62 -10.013 -2.043 5.837 1.00 0.00 N ATOM 830 CA ALA A 62 -10.817 -1.954 4.630 1.00 0.00 C ATOM 831 C ALA A 62 -10.645 -3.237 3.813 1.00 0.00 C ATOM 832 O ALA A 62 -11.625 -3.901 3.479 1.00 0.00 O ATOM 833 CB ALA A 62 -10.421 -0.705 3.843 1.00 0.00 C ATOM 0 H ALA A 62 -9.267 -1.350 5.904 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.874 -1.860 4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.024 -0.639 2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.589 0.180 4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.367 -0.764 3.573 1.00 0.00 H new ATOM 839 N ARG A 63 -9.392 -3.546 3.515 1.00 0.00 N ATOM 840 CA ARG A 63 -9.079 -4.737 2.743 1.00 0.00 C ATOM 841 C ARG A 63 -9.167 -5.982 3.628 1.00 0.00 C ATOM 842 O ARG A 63 -8.775 -7.071 3.214 1.00 0.00 O ATOM 843 CB ARG A 63 -7.676 -4.648 2.138 1.00 0.00 C ATOM 844 CG ARG A 63 -6.604 -4.761 3.223 1.00 0.00 C ATOM 845 CD ARG A 63 -6.241 -6.225 3.486 1.00 0.00 C ATOM 846 NE ARG A 63 -4.770 -6.386 3.510 1.00 0.00 N ATOM 847 CZ ARG A 63 -4.128 -7.375 4.166 1.00 0.00 C ATOM 848 NH1 ARG A 63 -4.823 -8.301 4.858 1.00 0.00 N ATOM 849 NH2 ARG A 63 -2.810 -7.423 4.120 1.00 0.00 N ATOM 0 H ARG A 63 -8.582 -2.993 3.794 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.807 -4.809 1.935 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.541 -5.443 1.404 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.564 -3.702 1.608 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -5.714 -4.211 2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.963 -4.301 4.143 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.666 -6.548 4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -6.672 -6.860 2.712 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.206 -5.707 2.999 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.842 -8.257 4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.330 -9.045 5.351 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.292 -6.719 3.594 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.309 -8.164 4.610 1.00 0.00 H new ATOM 859 N HIS A 64 -9.686 -5.778 4.830 1.00 0.00 N ATOM 860 CA HIS A 64 -9.831 -6.870 5.777 1.00 0.00 C ATOM 861 C HIS A 64 -11.058 -7.707 5.411 1.00 0.00 C ATOM 862 O HIS A 64 -10.954 -8.920 5.222 1.00 0.00 O ATOM 863 CB HIS A 64 -9.881 -6.342 7.212 1.00 0.00 C ATOM 864 CG HIS A 64 -9.705 -7.409 8.266 1.00 0.00 C ATOM 865 ND1 HIS A 64 -8.964 -8.558 8.052 1.00 0.00 N ATOM 866 CD2 HIS A 64 -10.180 -7.489 9.542 1.00 0.00 C ATOM 867 CE1 HIS A 64 -8.999 -9.291 9.156 1.00 0.00 C ATOM 868 NE2 HIS A 64 -9.754 -8.625 10.079 1.00 0.00 N ATOM 0 H HIS A 64 -10.011 -4.873 5.170 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.959 -7.522 5.721 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -9.103 -5.589 7.338 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.837 -5.843 7.371 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.799 -6.752 10.033 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -8.516 -10.246 9.300 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.957 -8.948 11.025 1.00 0.00 H new ATOM 875 N ASN A 65 -12.192 -7.029 5.319 1.00 0.00 N ATOM 876 CA ASN A 65 -13.438 -7.695 4.978 1.00 0.00 C ATOM 877 C ASN A 65 -13.930 -7.184 3.623 1.00 0.00 C ATOM 878 O ASN A 65 -14.185 -7.973 2.713 1.00 0.00 O ATOM 879 CB ASN A 65 -14.522 -7.401 6.017 1.00 0.00 C ATOM 880 CG ASN A 65 -14.412 -5.964 6.532 1.00 0.00 C ATOM 881 OD1 ASN A 65 -13.743 -5.122 5.959 1.00 0.00 O ATOM 882 ND2 ASN A 65 -15.107 -5.734 7.643 1.00 0.00 N ATOM 0 H ASN A 65 -12.275 -6.024 5.475 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.250 -8.768 4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.506 -7.559 5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.431 -8.098 6.850 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.100 -4.806 8.066 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.647 -6.486 8.072 1.00 0.00 H new ATOM 888 N VAL A 66 -14.050 -5.867 3.531 1.00 0.00 N ATOM 889 CA VAL A 66 -14.507 -5.242 2.302 1.00 0.00 C ATOM 890 C VAL A 66 -13.296 -4.821 1.468 1.00 0.00 C ATOM 891 O VAL A 66 -12.192 -5.323 1.672 1.00 0.00 O ATOM 892 CB VAL A 66 -15.445 -4.077 2.626 1.00 0.00 C ATOM 893 CG1 VAL A 66 -16.631 -4.547 3.472 1.00 0.00 C ATOM 894 CG2 VAL A 66 -14.691 -2.943 3.320 1.00 0.00 C ATOM 0 H VAL A 66 -13.839 -5.216 4.288 1.00 0.00 H new ATOM 0 HA VAL A 66 -15.082 -5.949 1.704 1.00 0.00 H new ATOM 0 HB VAL A 66 -15.837 -3.691 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -17.282 -3.700 3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.191 -5.305 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.265 -4.972 4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -15.381 -2.128 3.539 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.257 -3.310 4.250 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -13.897 -2.581 2.667 1.00 0.00 H new ATOM 904 N ASP A 67 -13.544 -3.902 0.546 1.00 0.00 N ATOM 905 CA ASP A 67 -12.487 -3.407 -0.319 1.00 0.00 C ATOM 906 C ASP A 67 -12.579 -1.882 -0.409 1.00 0.00 C ATOM 907 O ASP A 67 -13.649 -1.336 -0.670 1.00 0.00 O ATOM 908 CB ASP A 67 -12.625 -3.972 -1.735 1.00 0.00 C ATOM 909 CG ASP A 67 -13.735 -3.341 -2.578 1.00 0.00 C ATOM 910 OD1 ASP A 67 -14.845 -3.884 -2.681 1.00 0.00 O ATOM 911 OD2 ASP A 67 -13.420 -2.230 -3.152 1.00 0.00 O ATOM 0 H ASP A 67 -14.461 -3.488 0.379 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.532 -3.719 0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.676 -3.843 -2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -12.807 -5.044 -1.666 1.00 0.00 H new ATOM 916 N GLU A 68 -11.442 -1.239 -0.187 1.00 0.00 N ATOM 917 CA GLU A 68 -11.380 0.211 -0.239 1.00 0.00 C ATOM 918 C GLU A 68 -10.034 0.665 -0.806 1.00 0.00 C ATOM 919 O GLU A 68 -8.996 0.087 -0.489 1.00 0.00 O ATOM 920 CB GLU A 68 -11.626 0.820 1.144 1.00 0.00 C ATOM 921 CG GLU A 68 -12.214 2.228 1.026 1.00 0.00 C ATOM 922 CD GLU A 68 -11.142 3.291 1.273 1.00 0.00 C ATOM 923 OE1 GLU A 68 -10.452 3.249 2.301 1.00 0.00 O ATOM 924 OE2 GLU A 68 -11.039 4.186 0.349 1.00 0.00 O ATOM 0 H GLU A 68 -10.556 -1.696 0.029 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.169 0.565 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.307 0.184 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.689 0.858 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.645 2.364 0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.024 2.349 1.745 1.00 0.00 H new ATOM 930 N LEU A 69 -10.095 1.698 -1.635 1.00 0.00 N ATOM 931 CA LEU A 69 -8.893 2.236 -2.249 1.00 0.00 C ATOM 932 C LEU A 69 -8.921 3.763 -2.161 1.00 0.00 C ATOM 933 O LEU A 69 -9.915 4.391 -2.522 1.00 0.00 O ATOM 934 CB LEU A 69 -8.737 1.706 -3.676 1.00 0.00 C ATOM 935 CG LEU A 69 -9.998 1.726 -4.542 1.00 0.00 C ATOM 936 CD1 LEU A 69 -11.068 0.791 -3.973 1.00 0.00 C ATOM 937 CD2 LEU A 69 -10.519 3.153 -4.717 1.00 0.00 C ATOM 0 H LEU A 69 -10.958 2.176 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.007 1.901 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.967 2.292 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.373 0.680 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.739 1.354 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.954 0.824 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.682 -0.228 -3.942 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.331 1.110 -2.965 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.416 3.140 -5.336 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.758 3.575 -3.741 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.755 3.763 -5.198 1.00 0.00 H new ATOM 948 N HIS A 70 -7.818 4.317 -1.680 1.00 0.00 N ATOM 949 CA HIS A 70 -7.703 5.757 -1.539 1.00 0.00 C ATOM 950 C HIS A 70 -6.263 6.188 -1.824 1.00 0.00 C ATOM 951 O HIS A 70 -5.318 5.514 -1.416 1.00 0.00 O ATOM 952 CB HIS A 70 -8.198 6.212 -0.164 1.00 0.00 C ATOM 953 CG HIS A 70 -8.851 7.573 -0.164 1.00 0.00 C ATOM 954 ND1 HIS A 70 -8.127 8.752 -0.120 1.00 0.00 N ATOM 955 CD2 HIS A 70 -10.166 7.930 -0.205 1.00 0.00 C ATOM 956 CE1 HIS A 70 -8.979 9.766 -0.133 1.00 0.00 C ATOM 957 NE2 HIS A 70 -10.242 9.255 -0.185 1.00 0.00 N ATOM 0 H HIS A 70 -6.995 3.793 -1.383 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.344 6.249 -2.271 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.910 5.479 0.215 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.356 6.225 0.528 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.004 7.250 -0.247 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.719 10.814 -0.107 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.103 9.801 -0.205 1.00 0.00 H new ATOM 964 N ILE A 71 -6.140 7.309 -2.519 1.00 0.00 N ATOM 965 CA ILE A 71 -4.831 7.838 -2.862 1.00 0.00 C ATOM 966 C ILE A 71 -4.808 9.344 -2.596 1.00 0.00 C ATOM 967 O ILE A 71 -5.700 10.069 -3.035 1.00 0.00 O ATOM 968 CB ILE A 71 -4.460 7.461 -4.298 1.00 0.00 C ATOM 969 CG1 ILE A 71 -4.525 5.946 -4.502 1.00 0.00 C ATOM 970 CG2 ILE A 71 -3.093 8.033 -4.679 1.00 0.00 C ATOM 971 CD1 ILE A 71 -4.203 5.573 -5.951 1.00 0.00 C ATOM 0 H ILE A 71 -6.926 7.866 -2.854 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.063 7.391 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.194 7.907 -4.969 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.820 5.455 -3.831 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.519 5.583 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.853 7.751 -5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.118 9.120 -4.598 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.332 7.637 -4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -4.256 4.491 -6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.924 6.046 -6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.199 5.916 -6.200 1.00 0.00 H new ATOM 982 N ASP A 72 -3.778 9.770 -1.879 1.00 0.00 N ATOM 983 CA ASP A 72 -3.627 11.177 -1.550 1.00 0.00 C ATOM 984 C ASP A 72 -2.141 11.539 -1.544 1.00 0.00 C ATOM 985 O ASP A 72 -1.312 10.763 -1.072 1.00 0.00 O ATOM 986 CB ASP A 72 -4.194 11.481 -0.161 1.00 0.00 C ATOM 987 CG ASP A 72 -5.648 11.956 -0.145 1.00 0.00 C ATOM 988 OD1 ASP A 72 -6.512 11.390 -0.832 1.00 0.00 O ATOM 989 OD2 ASP A 72 -5.884 12.964 0.624 1.00 0.00 O ATOM 0 H ASP A 72 -3.040 9.166 -1.517 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.169 11.758 -2.296 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.114 10.583 0.452 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.573 12.244 0.309 1.00 0.00 H new ATOM 994 N GLY A 73 -1.849 12.717 -2.075 1.00 0.00 N ATOM 995 CA GLY A 73 -0.477 13.191 -2.137 1.00 0.00 C ATOM 996 C GLY A 73 -0.382 14.655 -1.702 1.00 0.00 C ATOM 997 O GLY A 73 -1.133 15.500 -2.187 1.00 0.00 O ATOM 0 H GLY A 73 -2.539 13.358 -2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.153 12.576 -1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.097 13.085 -3.153 1.00 0.00 H new ATOM 1001 N ASN A 74 0.546 14.909 -0.791 1.00 0.00 N ATOM 1002 CA ASN A 74 0.749 16.256 -0.285 1.00 0.00 C ATOM 1003 C ASN A 74 2.238 16.474 -0.011 1.00 0.00 C ATOM 1004 O ASN A 74 2.918 15.580 0.490 1.00 0.00 O ATOM 1005 CB ASN A 74 -0.010 16.472 1.025 1.00 0.00 C ATOM 1006 CG ASN A 74 -1.182 17.435 0.828 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -2.159 17.136 0.160 1.00 0.00 O ATOM 1008 ND2 ASN A 74 -1.032 18.603 1.445 1.00 0.00 N ATOM 0 H ASN A 74 1.166 14.205 -0.390 1.00 0.00 H new ATOM 0 HA ASN A 74 0.381 16.957 -1.034 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.379 15.516 1.397 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.668 16.869 1.781 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.760 19.314 1.375 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -0.189 18.788 1.988 1.00 0.00 H new ATOM 1014 N TYR A 75 2.701 17.668 -0.350 1.00 0.00 N ATOM 1015 CA TYR A 75 4.097 18.015 -0.147 1.00 0.00 C ATOM 1016 C TYR A 75 4.464 17.965 1.337 1.00 0.00 C ATOM 1017 O TYR A 75 5.642 17.968 1.690 1.00 0.00 O ATOM 1018 CB TYR A 75 4.252 19.452 -0.650 1.00 0.00 C ATOM 1019 CG TYR A 75 4.486 19.562 -2.158 1.00 0.00 C ATOM 1020 CD1 TYR A 75 3.582 19.004 -3.039 1.00 0.00 C ATOM 1021 CD2 TYR A 75 5.600 20.219 -2.637 1.00 0.00 C ATOM 1022 CE1 TYR A 75 3.802 19.107 -4.458 1.00 0.00 C ATOM 1023 CE2 TYR A 75 5.821 20.323 -4.057 1.00 0.00 C ATOM 1024 CZ TYR A 75 4.910 19.762 -4.897 1.00 0.00 C ATOM 1025 OH TYR A 75 5.119 19.859 -6.238 1.00 0.00 O ATOM 0 H TYR A 75 2.134 18.408 -0.764 1.00 0.00 H new ATOM 0 HA TYR A 75 4.747 17.315 -0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 75 3.356 20.016 -0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.086 19.921 -0.128 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.709 18.490 -2.664 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.307 20.656 -1.947 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.103 18.674 -5.158 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.689 20.834 -4.445 1.00 0.00 H new ATOM 0 HH TYR A 75 4.775 19.056 -6.682 1.00 0.00 H new ATOM 1034 N GLN A 76 3.433 17.919 2.168 1.00 0.00 N ATOM 1035 CA GLN A 76 3.632 17.868 3.606 1.00 0.00 C ATOM 1036 C GLN A 76 3.551 16.422 4.102 1.00 0.00 C ATOM 1037 O GLN A 76 3.955 16.124 5.226 1.00 0.00 O ATOM 1038 CB GLN A 76 2.617 18.753 4.332 1.00 0.00 C ATOM 1039 CG GLN A 76 2.770 20.217 3.915 1.00 0.00 C ATOM 1040 CD GLN A 76 3.794 20.934 4.799 1.00 0.00 C ATOM 1041 OE1 GLN A 76 4.188 20.456 5.850 1.00 0.00 O ATOM 1042 NE2 GLN A 76 4.201 22.104 4.314 1.00 0.00 N ATOM 0 H GLN A 76 2.457 17.916 1.872 1.00 0.00 H new ATOM 0 HA GLN A 76 4.627 18.254 3.829 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.606 18.411 4.109 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.754 18.662 5.409 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.083 20.271 2.872 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.806 20.722 3.985 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.830 22.445 3.427 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.884 22.660 4.829 1.00 0.00 H new ATOM 1049 N LEU A 77 3.030 15.563 3.239 1.00 0.00 N ATOM 1050 CA LEU A 77 2.892 14.156 3.575 1.00 0.00 C ATOM 1051 C LEU A 77 4.194 13.655 4.203 1.00 0.00 C ATOM 1052 O LEU A 77 4.173 12.969 5.223 1.00 0.00 O ATOM 1053 CB LEU A 77 2.451 13.353 2.350 1.00 0.00 C ATOM 1054 CG LEU A 77 1.887 11.958 2.629 1.00 0.00 C ATOM 1055 CD1 LEU A 77 1.317 11.332 1.355 1.00 0.00 C ATOM 1056 CD2 LEU A 77 2.939 11.062 3.286 1.00 0.00 C ATOM 0 H LEU A 77 2.698 15.814 2.308 1.00 0.00 H new ATOM 0 HA LEU A 77 2.106 14.018 4.318 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.695 13.929 1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.305 13.251 1.681 1.00 0.00 H new ATOM 0 HG LEU A 77 1.063 12.058 3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.923 10.341 1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.516 11.961 0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.106 11.247 0.607 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.512 10.077 3.473 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.799 10.965 2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.256 11.505 4.230 1.00 0.00 H new ATOM 1067 N GLY A 78 5.298 14.019 3.566 1.00 0.00 N ATOM 1068 CA GLY A 78 6.608 13.616 4.048 1.00 0.00 C ATOM 1069 C GLY A 78 7.513 13.192 2.890 1.00 0.00 C ATOM 1070 O GLY A 78 8.711 12.987 3.076 1.00 0.00 O ATOM 0 H GLY A 78 5.312 14.589 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.069 14.441 4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.502 12.791 4.752 1.00 0.00 H new ATOM 1074 N ARG A 79 6.904 13.073 1.719 1.00 0.00 N ATOM 1075 CA ARG A 79 7.640 12.677 0.530 1.00 0.00 C ATOM 1076 C ARG A 79 7.813 11.158 0.495 1.00 0.00 C ATOM 1077 O ARG A 79 8.929 10.659 0.351 1.00 0.00 O ATOM 1078 CB ARG A 79 9.017 13.341 0.488 1.00 0.00 C ATOM 1079 CG ARG A 79 8.919 14.829 0.833 1.00 0.00 C ATOM 1080 CD ARG A 79 8.920 15.686 -0.435 1.00 0.00 C ATOM 1081 NE ARG A 79 9.172 17.103 -0.088 1.00 0.00 N ATOM 1082 CZ ARG A 79 9.055 18.128 -0.959 1.00 0.00 C ATOM 1083 NH1 ARG A 79 8.688 17.902 -2.238 1.00 0.00 N ATOM 1084 NH2 ARG A 79 9.304 19.355 -0.540 1.00 0.00 N ATOM 0 H ARG A 79 5.910 13.244 1.568 1.00 0.00 H new ATOM 0 HA ARG A 79 7.066 13.001 -0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.686 12.844 1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.452 13.222 -0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.008 15.015 1.402 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.756 15.114 1.470 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.686 15.330 -1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 79 7.962 15.593 -0.947 1.00 0.00 H new ATOM 0 HE ARG A 79 9.452 17.318 0.869 1.00 0.00 H new ATOM 0 HH11 ARG A 79 8.497 16.951 -2.553 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.602 18.682 -2.889 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.580 19.517 0.428 1.00 0.00 H new ATOM 0 HH22 ARG A 79 9.220 20.141 -1.185 1.00 0.00 H new ATOM 1094 N ASN A 80 6.692 10.463 0.629 1.00 0.00 N ATOM 1095 CA ASN A 80 6.707 9.010 0.613 1.00 0.00 C ATOM 1096 C ASN A 80 5.944 8.509 -0.615 1.00 0.00 C ATOM 1097 O ASN A 80 4.757 8.794 -0.771 1.00 0.00 O ATOM 1098 CB ASN A 80 6.024 8.440 1.858 1.00 0.00 C ATOM 1099 CG ASN A 80 5.746 6.945 1.694 1.00 0.00 C ATOM 1100 OD1 ASN A 80 6.630 6.146 1.431 1.00 0.00 O ATOM 1101 ND2 ASN A 80 4.469 6.610 1.863 1.00 0.00 N ATOM 0 H ASN A 80 5.768 10.879 0.749 1.00 0.00 H new ATOM 0 HA ASN A 80 7.747 8.684 0.589 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.656 8.602 2.731 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.089 8.970 2.039 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.181 5.635 1.774 1.00 0.00 H new ATOM 0 HD22 ASN A 80 3.778 7.328 2.082 1.00 0.00 H new ATOM 1107 N VAL A 81 6.656 7.774 -1.455 1.00 0.00 N ATOM 1108 CA VAL A 81 6.062 7.231 -2.665 1.00 0.00 C ATOM 1109 C VAL A 81 6.046 5.704 -2.580 1.00 0.00 C ATOM 1110 O VAL A 81 7.095 5.065 -2.646 1.00 0.00 O ATOM 1111 CB VAL A 81 6.806 7.755 -3.895 1.00 0.00 C ATOM 1112 CG1 VAL A 81 7.187 6.608 -4.834 1.00 0.00 C ATOM 1113 CG2 VAL A 81 5.980 8.813 -4.628 1.00 0.00 C ATOM 0 H VAL A 81 7.640 7.541 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 81 5.028 7.561 -2.764 1.00 0.00 H new ATOM 0 HB VAL A 81 7.726 8.229 -3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.715 7.007 -5.700 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.833 5.906 -4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.285 6.093 -5.164 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.533 9.168 -5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.035 8.377 -4.952 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.783 9.649 -3.957 1.00 0.00 H new ATOM 1123 N LEU A 82 4.845 5.163 -2.435 1.00 0.00 N ATOM 1124 CA LEU A 82 4.680 3.722 -2.340 1.00 0.00 C ATOM 1125 C LEU A 82 3.690 3.256 -3.410 1.00 0.00 C ATOM 1126 O LEU A 82 2.537 3.684 -3.422 1.00 0.00 O ATOM 1127 CB LEU A 82 4.283 3.321 -0.919 1.00 0.00 C ATOM 1128 CG LEU A 82 5.264 3.715 0.189 1.00 0.00 C ATOM 1129 CD1 LEU A 82 4.842 3.119 1.533 1.00 0.00 C ATOM 1130 CD2 LEU A 82 6.696 3.330 -0.185 1.00 0.00 C ATOM 0 H LEU A 82 3.977 5.696 -2.381 1.00 0.00 H new ATOM 0 HA LEU A 82 5.625 3.216 -2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.314 3.767 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.150 2.239 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 82 5.240 4.799 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.556 3.414 2.302 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.850 3.486 1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.819 2.032 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.373 3.621 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.755 2.252 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.982 3.842 -1.104 1.00 0.00 H new ATOM 1141 N LEU A 83 4.177 2.385 -4.281 1.00 0.00 N ATOM 1142 CA LEU A 83 3.350 1.855 -5.352 1.00 0.00 C ATOM 1143 C LEU A 83 3.159 0.352 -5.147 1.00 0.00 C ATOM 1144 O LEU A 83 4.101 -0.424 -5.303 1.00 0.00 O ATOM 1145 CB LEU A 83 3.940 2.221 -6.716 1.00 0.00 C ATOM 1146 CG LEU A 83 3.207 1.660 -7.936 1.00 0.00 C ATOM 1147 CD1 LEU A 83 3.171 2.684 -9.071 1.00 0.00 C ATOM 1148 CD2 LEU A 83 3.821 0.331 -8.382 1.00 0.00 C ATOM 0 H LEU A 83 5.134 2.033 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 83 2.359 2.308 -5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.964 3.308 -6.799 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.973 1.876 -6.747 1.00 0.00 H new ATOM 0 HG LEU A 83 2.174 1.458 -7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.645 2.261 -9.926 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.653 3.582 -8.734 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.190 2.940 -9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.281 -0.046 -9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.868 0.484 -8.643 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.752 -0.393 -7.570 1.00 0.00 H new ATOM 1159 N LYS A 84 1.934 -0.016 -4.801 1.00 0.00 N ATOM 1160 CA LYS A 84 1.608 -1.413 -4.572 1.00 0.00 C ATOM 1161 C LYS A 84 0.428 -1.808 -5.461 1.00 0.00 C ATOM 1162 O LYS A 84 -0.655 -1.233 -5.354 1.00 0.00 O ATOM 1163 CB LYS A 84 1.371 -1.672 -3.084 1.00 0.00 C ATOM 1164 CG LYS A 84 1.239 -3.171 -2.802 1.00 0.00 C ATOM 1165 CD LYS A 84 2.601 -3.863 -2.869 1.00 0.00 C ATOM 1166 CE LYS A 84 2.442 -5.384 -2.903 1.00 0.00 C ATOM 1167 NZ LYS A 84 1.852 -5.871 -1.635 1.00 0.00 N ATOM 0 H LYS A 84 1.155 0.630 -4.674 1.00 0.00 H new ATOM 0 HA LYS A 84 2.447 -2.051 -4.852 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.197 -1.261 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.466 -1.157 -2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.798 -3.322 -1.816 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.561 -3.623 -3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.139 -3.530 -3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.202 -3.576 -2.006 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.806 -5.671 -3.741 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.412 -5.854 -3.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.070 -6.881 -1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.250 -5.334 -0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.821 -5.740 -1.659 1.00 0.00 H new ATOM 1176 N ASN A 85 0.675 -2.786 -6.319 1.00 0.00 N ATOM 1177 CA ASN A 85 -0.355 -3.265 -7.227 1.00 0.00 C ATOM 1178 C ASN A 85 -0.696 -4.717 -6.883 1.00 0.00 C ATOM 1179 O ASN A 85 0.166 -5.592 -6.944 1.00 0.00 O ATOM 1180 CB ASN A 85 0.127 -3.223 -8.677 1.00 0.00 C ATOM 1181 CG ASN A 85 1.512 -3.858 -8.814 1.00 0.00 C ATOM 1182 OD1 ASN A 85 1.661 -5.011 -9.187 1.00 0.00 O ATOM 1183 ND2 ASN A 85 2.514 -3.046 -8.493 1.00 0.00 N ATOM 0 H ASN A 85 1.574 -3.261 -6.405 1.00 0.00 H new ATOM 0 HA ASN A 85 -1.227 -2.620 -7.119 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -0.583 -3.749 -9.315 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.161 -2.190 -9.023 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.477 -3.377 -8.552 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.320 -2.092 -8.188 1.00 0.00 H new ATOM 1189 N GLY A 86 -1.955 -4.927 -6.530 1.00 0.00 N ATOM 1190 CA GLY A 86 -2.422 -6.257 -6.177 1.00 0.00 C ATOM 1191 C GLY A 86 -3.462 -6.758 -7.181 1.00 0.00 C ATOM 1192 O GLY A 86 -4.514 -6.143 -7.349 1.00 0.00 O ATOM 0 H GLY A 86 -2.667 -4.198 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.578 -6.946 -6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.855 -6.241 -5.177 1.00 0.00 H new ATOM 1196 N GLU A 87 -3.132 -7.869 -7.823 1.00 0.00 N ATOM 1197 CA GLU A 87 -4.024 -8.460 -8.805 1.00 0.00 C ATOM 1198 C GLU A 87 -4.389 -9.889 -8.400 1.00 0.00 C ATOM 1199 O GLU A 87 -3.532 -10.772 -8.381 1.00 0.00 O ATOM 1200 CB GLU A 87 -3.399 -8.430 -10.202 1.00 0.00 C ATOM 1201 CG GLU A 87 -3.033 -7.000 -10.607 1.00 0.00 C ATOM 1202 CD GLU A 87 -1.974 -6.998 -11.711 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -2.082 -7.770 -12.676 1.00 0.00 O ATOM 1204 OE2 GLU A 87 -1.011 -6.155 -11.542 1.00 0.00 O ATOM 0 H GLU A 87 -2.258 -8.376 -7.682 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.938 -7.868 -8.838 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.507 -9.056 -10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.097 -8.850 -10.926 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.924 -6.476 -10.952 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.660 -6.456 -9.739 1.00 0.00 H new ATOM 1210 N ASP A 88 -5.663 -10.074 -8.085 1.00 0.00 N ATOM 1211 CA ASP A 88 -6.153 -11.381 -7.681 1.00 0.00 C ATOM 1212 C ASP A 88 -7.614 -11.528 -8.108 1.00 0.00 C ATOM 1213 O ASP A 88 -8.395 -10.584 -7.995 1.00 0.00 O ATOM 1214 CB ASP A 88 -6.085 -11.549 -6.162 1.00 0.00 C ATOM 1215 CG ASP A 88 -6.585 -10.350 -5.356 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -5.795 -9.505 -4.908 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -7.865 -10.300 -5.189 1.00 0.00 O ATOM 0 H ASP A 88 -6.371 -9.340 -8.101 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.528 -12.137 -8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.670 -12.425 -5.882 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -5.052 -11.752 -5.880 1.00 0.00 H new ATOM 1222 N ARG A 89 -7.940 -12.718 -8.588 1.00 0.00 N ATOM 1223 CA ARG A 89 -9.295 -13.001 -9.031 1.00 0.00 C ATOM 1224 C ARG A 89 -9.718 -14.403 -8.586 1.00 0.00 C ATOM 1225 O ARG A 89 -9.085 -15.392 -8.952 1.00 0.00 O ATOM 1226 CB ARG A 89 -9.407 -12.902 -10.554 1.00 0.00 C ATOM 1227 CG ARG A 89 -8.024 -12.816 -11.202 1.00 0.00 C ATOM 1228 CD ARG A 89 -7.294 -14.158 -11.116 1.00 0.00 C ATOM 1229 NE ARG A 89 -6.680 -14.486 -12.422 1.00 0.00 N ATOM 1230 CZ ARG A 89 -5.724 -13.742 -13.016 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -5.262 -12.620 -12.425 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -5.247 -14.128 -14.185 1.00 0.00 N ATOM 0 H ARG A 89 -7.289 -13.498 -8.680 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.953 -12.259 -8.579 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.940 -13.771 -10.940 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.993 -12.023 -10.823 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.125 -12.519 -12.246 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.434 -12.045 -10.707 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -6.525 -14.114 -10.344 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.992 -14.943 -10.826 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.999 -15.327 -12.903 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.636 -12.328 -11.522 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.539 -12.064 -12.881 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.602 -14.977 -14.625 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.524 -13.577 -14.648 1.00 0.00 H new ATOM 1242 N LEU A 90 -10.786 -14.442 -7.802 1.00 0.00 N ATOM 1243 CA LEU A 90 -11.301 -15.706 -7.303 1.00 0.00 C ATOM 1244 C LEU A 90 -12.813 -15.759 -7.528 1.00 0.00 C ATOM 1245 O LEU A 90 -13.427 -14.754 -7.880 1.00 0.00 O ATOM 1246 CB LEU A 90 -10.887 -15.915 -5.845 1.00 0.00 C ATOM 1247 CG LEU A 90 -9.406 -16.211 -5.603 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -8.917 -17.339 -6.513 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -8.561 -14.944 -5.756 1.00 0.00 C ATOM 0 H LEU A 90 -11.308 -13.619 -7.500 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.867 -16.540 -7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -11.155 -15.022 -5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.473 -16.738 -5.436 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.290 -16.553 -4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.861 -17.530 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.491 -18.243 -6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.050 -17.049 -7.555 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.512 -15.182 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.678 -14.548 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.890 -14.197 -5.033 1.00 0.00 H new ATOM 1260 N ARG A 91 -13.369 -16.944 -7.315 1.00 0.00 N ATOM 1261 CA ARG A 91 -14.797 -17.142 -7.489 1.00 0.00 C ATOM 1262 C ARG A 91 -15.573 -16.409 -6.392 1.00 0.00 C ATOM 1263 O ARG A 91 -16.738 -16.062 -6.578 1.00 0.00 O ATOM 1264 CB ARG A 91 -15.156 -18.628 -7.452 1.00 0.00 C ATOM 1265 CG ARG A 91 -14.283 -19.428 -8.421 1.00 0.00 C ATOM 1266 CD ARG A 91 -13.835 -20.749 -7.794 1.00 0.00 C ATOM 1267 NE ARG A 91 -13.663 -21.776 -8.845 1.00 0.00 N ATOM 1268 CZ ARG A 91 -14.658 -22.216 -9.644 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -15.908 -21.723 -9.517 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -14.390 -23.138 -10.551 1.00 0.00 N ATOM 0 H ARG A 91 -12.855 -17.776 -7.024 1.00 0.00 H new ATOM 0 HA ARG A 91 -15.071 -16.738 -8.464 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -15.027 -19.012 -6.440 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -16.207 -18.758 -7.711 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.839 -19.627 -9.337 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -13.409 -18.839 -8.700 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.897 -20.606 -7.257 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -14.573 -21.083 -7.065 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.734 -22.177 -8.974 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -16.107 -21.012 -8.813 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.654 -22.061 -10.125 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -13.443 -23.506 -10.639 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.130 -23.482 -11.163 1.00 0.00 H new ATOM 1280 N PHE A 92 -14.895 -16.196 -5.274 1.00 0.00 N ATOM 1281 CA PHE A 92 -15.506 -15.511 -4.148 1.00 0.00 C ATOM 1282 C PHE A 92 -15.661 -14.016 -4.434 1.00 0.00 C ATOM 1283 O PHE A 92 -16.460 -13.338 -3.790 1.00 0.00 O ATOM 1284 CB PHE A 92 -14.569 -15.695 -2.952 1.00 0.00 C ATOM 1285 CG PHE A 92 -15.173 -15.257 -1.616 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -15.107 -13.954 -1.234 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -15.777 -16.172 -0.811 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -15.668 -13.548 0.006 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -16.337 -15.766 0.429 1.00 0.00 C ATOM 1290 CZ PHE A 92 -16.271 -14.463 0.811 1.00 0.00 C ATOM 0 H PHE A 92 -13.929 -16.486 -5.124 1.00 0.00 H new ATOM 0 HA PHE A 92 -16.497 -15.921 -3.956 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -14.285 -16.745 -2.884 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.655 -15.128 -3.129 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -14.628 -13.227 -1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -15.831 -17.207 -1.115 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -15.616 -12.513 0.309 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -16.816 -16.493 1.069 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.698 -14.155 1.754 1.00 0.00 H new ATOM 1299 N TYR A 93 -14.886 -13.548 -5.400 1.00 0.00 N ATOM 1300 CA TYR A 93 -14.927 -12.145 -5.780 1.00 0.00 C ATOM 1301 C TYR A 93 -15.453 -11.978 -7.206 1.00 0.00 C ATOM 1302 O TYR A 93 -15.177 -12.805 -8.075 1.00 0.00 O ATOM 1303 CB TYR A 93 -13.481 -11.649 -5.722 1.00 0.00 C ATOM 1304 CG TYR A 93 -12.884 -11.636 -4.312 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -12.356 -12.792 -3.776 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -12.875 -10.467 -3.578 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -11.794 -12.779 -2.449 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -12.313 -10.454 -2.253 1.00 0.00 C ATOM 1309 CZ TYR A 93 -11.800 -11.610 -1.754 1.00 0.00 C ATOM 1310 OH TYR A 93 -11.269 -11.598 -0.501 1.00 0.00 O ATOM 0 H TYR A 93 -14.225 -14.115 -5.932 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.587 -11.588 -5.116 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.865 -12.282 -6.361 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.437 -10.641 -6.134 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -12.364 -13.706 -4.350 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -13.290 -9.562 -3.998 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -11.378 -13.677 -2.016 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.299 -9.546 -1.668 1.00 0.00 H new ATOM 0 HH TYR A 93 -11.340 -10.696 -0.124 1.00 0.00 H new ATOM 1319 N VAL A 94 -16.203 -10.904 -7.404 1.00 0.00 N ATOM 1320 CA VAL A 94 -16.771 -10.619 -8.711 1.00 0.00 C ATOM 1321 C VAL A 94 -15.961 -9.508 -9.383 1.00 0.00 C ATOM 1322 O VAL A 94 -15.798 -9.505 -10.602 1.00 0.00 O ATOM 1323 CB VAL A 94 -18.256 -10.274 -8.573 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -19.072 -11.511 -8.190 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -18.465 -9.145 -7.562 1.00 0.00 C ATOM 0 H VAL A 94 -16.431 -10.221 -6.682 1.00 0.00 H new ATOM 0 HA VAL A 94 -16.713 -11.499 -9.352 1.00 0.00 H new ATOM 0 HB VAL A 94 -18.611 -9.925 -9.543 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -20.124 -11.239 -8.098 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -18.960 -12.274 -8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -18.714 -11.903 -7.238 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -19.529 -8.920 -7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -18.086 -9.454 -6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -17.929 -8.256 -7.894 1.00 0.00 H new ATOM 1335 N LYS A 95 -15.474 -8.593 -8.558 1.00 0.00 N ATOM 1336 CA LYS A 95 -14.685 -7.480 -9.057 1.00 0.00 C ATOM 1337 C LYS A 95 -13.212 -7.892 -9.119 1.00 0.00 C ATOM 1338 O LYS A 95 -12.445 -7.350 -9.914 1.00 0.00 O ATOM 1339 CB LYS A 95 -14.937 -6.225 -8.219 1.00 0.00 C ATOM 1340 CG LYS A 95 -15.690 -5.167 -9.028 1.00 0.00 C ATOM 1341 CD LYS A 95 -17.194 -5.448 -9.033 1.00 0.00 C ATOM 1342 CE LYS A 95 -17.801 -5.205 -7.650 1.00 0.00 C ATOM 1343 NZ LYS A 95 -17.105 -4.093 -6.966 1.00 0.00 N ATOM 0 H LYS A 95 -15.611 -8.600 -7.547 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.989 -7.223 -10.072 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -15.512 -6.486 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -13.987 -5.816 -7.875 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -15.502 -4.180 -8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -15.316 -5.152 -10.052 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -17.685 -4.809 -9.767 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.374 -6.479 -9.337 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -18.861 -4.973 -7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -17.727 -6.112 -7.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -17.690 -3.751 -6.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -16.191 -4.428 -6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -16.944 -3.317 -7.640 1.00 0.00 H new ATOM 1352 N PHE A 96 -12.862 -8.848 -8.271 1.00 0.00 N ATOM 1353 CA PHE A 96 -11.496 -9.339 -8.221 1.00 0.00 C ATOM 1354 C PHE A 96 -10.495 -8.190 -8.356 1.00 0.00 C ATOM 1355 O PHE A 96 -9.717 -8.148 -9.308 1.00 0.00 O ATOM 1356 CB PHE A 96 -11.320 -10.294 -9.402 1.00 0.00 C ATOM 1357 CG PHE A 96 -11.869 -9.757 -10.725 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -13.179 -9.942 -11.042 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -11.049 -9.095 -11.583 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -13.690 -9.443 -12.269 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -11.559 -8.596 -12.811 1.00 0.00 C ATOM 1362 CZ PHE A 96 -12.869 -8.781 -13.128 1.00 0.00 C ATOM 0 H PHE A 96 -13.501 -9.295 -7.613 1.00 0.00 H new ATOM 0 HA PHE A 96 -11.314 -9.834 -7.267 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -10.259 -10.514 -9.523 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -11.816 -11.237 -9.171 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -13.830 -10.469 -10.360 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -10.009 -8.948 -11.331 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.730 -9.589 -12.520 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -10.907 -8.070 -13.493 1.00 0.00 H new ATOM 0 HZ PHE A 96 -13.257 -8.402 -14.062 1.00 0.00 H new ATOM 1371 N GLY A 97 -10.547 -7.284 -7.390 1.00 0.00 N ATOM 1372 CA GLY A 97 -9.655 -6.138 -7.389 1.00 0.00 C ATOM 1373 C GLY A 97 -9.990 -5.181 -8.535 1.00 0.00 C ATOM 1374 O GLY A 97 -10.817 -5.497 -9.389 1.00 0.00 O ATOM 0 H GLY A 97 -11.194 -7.321 -6.602 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.733 -5.613 -6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -8.623 -6.476 -7.483 1.00 0.00 H new ATOM 1378 N PRO A 98 -9.312 -4.003 -8.517 1.00 0.00 N ATOM 1379 CA PRO A 98 -9.530 -2.998 -9.543 1.00 0.00 C ATOM 1380 C PRO A 98 -8.858 -3.403 -10.857 1.00 0.00 C ATOM 1381 O PRO A 98 -9.427 -3.218 -11.932 1.00 0.00 O ATOM 1382 CB PRO A 98 -8.968 -1.712 -8.961 1.00 0.00 C ATOM 1383 CG PRO A 98 -8.044 -2.134 -7.831 1.00 0.00 C ATOM 1384 CD PRO A 98 -8.326 -3.596 -7.521 1.00 0.00 C ATOM 0 HA PRO A 98 -10.583 -2.877 -9.796 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -8.426 -1.145 -9.718 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -9.767 -1.068 -8.592 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -7.002 -1.999 -8.119 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -8.213 -1.517 -6.949 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -7.420 -4.198 -7.592 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -8.712 -3.719 -6.509 1.00 0.00 H new ATOM 1389 N GLY A 99 -7.657 -3.948 -10.727 1.00 0.00 N ATOM 1390 CA GLY A 99 -6.902 -4.381 -11.891 1.00 0.00 C ATOM 1391 C GLY A 99 -5.498 -3.773 -11.890 1.00 0.00 C ATOM 1392 O GLY A 99 -4.544 -4.406 -11.440 1.00 0.00 O ATOM 0 H GLY A 99 -7.188 -4.100 -9.834 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.831 -5.469 -11.899 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.428 -4.089 -12.800 1.00 0.00 H new ATOM 1396 N ALA A 100 -5.415 -2.552 -12.399 1.00 0.00 N ATOM 1397 CA ALA A 100 -4.144 -1.852 -12.462 1.00 0.00 C ATOM 1398 C ALA A 100 -4.237 -0.560 -11.647 1.00 0.00 C ATOM 1399 O ALA A 100 -5.312 -0.198 -11.173 1.00 0.00 O ATOM 1400 CB ALA A 100 -3.776 -1.594 -13.925 1.00 0.00 C ATOM 0 H ALA A 100 -6.208 -2.030 -12.772 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.349 -2.459 -12.028 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -2.822 -1.069 -13.973 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -3.694 -2.544 -14.453 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.550 -0.985 -14.393 1.00 0.00 H new ATOM 1406 N VAL A 101 -3.095 0.098 -11.510 1.00 0.00 N ATOM 1407 CA VAL A 101 -3.034 1.341 -10.761 1.00 0.00 C ATOM 1408 C VAL A 101 -3.938 2.380 -11.429 1.00 0.00 C ATOM 1409 O VAL A 101 -4.742 3.028 -10.762 1.00 0.00 O ATOM 1410 CB VAL A 101 -1.581 1.805 -10.636 1.00 0.00 C ATOM 1411 CG1 VAL A 101 -1.499 3.166 -9.942 1.00 0.00 C ATOM 1412 CG2 VAL A 101 -0.735 0.764 -9.901 1.00 0.00 C ATOM 0 H VAL A 101 -2.205 -0.206 -11.905 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.403 1.194 -9.746 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.177 1.916 -11.642 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.456 3.473 -9.866 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.053 3.904 -10.522 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.929 3.092 -8.943 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.293 1.118 -9.826 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.139 0.607 -8.901 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.755 -0.176 -10.452 1.00 0.00 H new ATOM 1422 N ILE A 102 -3.775 2.504 -12.737 1.00 0.00 N ATOM 1423 CA ILE A 102 -4.566 3.453 -13.503 1.00 0.00 C ATOM 1424 C ILE A 102 -6.034 3.335 -13.089 1.00 0.00 C ATOM 1425 O ILE A 102 -6.755 4.331 -13.058 1.00 0.00 O ATOM 1426 CB ILE A 102 -4.332 3.258 -15.002 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -5.039 2.000 -15.510 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -2.836 3.245 -15.326 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -5.089 1.980 -17.039 1.00 0.00 C ATOM 0 H ILE A 102 -3.107 1.964 -13.287 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.253 4.474 -13.286 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.769 4.107 -15.528 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.518 1.114 -15.148 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.052 1.960 -15.109 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -2.697 3.105 -16.398 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.390 4.192 -15.023 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.354 2.429 -14.788 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.596 1.076 -17.375 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.632 2.855 -17.397 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.074 1.995 -17.436 1.00 0.00 H new ATOM 1440 N LYS A 103 -6.434 2.110 -12.785 1.00 0.00 N ATOM 1441 CA LYS A 103 -7.804 1.849 -12.375 1.00 0.00 C ATOM 1442 C LYS A 103 -8.077 2.554 -11.045 1.00 0.00 C ATOM 1443 O LYS A 103 -9.020 3.336 -10.935 1.00 0.00 O ATOM 1444 CB LYS A 103 -8.075 0.344 -12.341 1.00 0.00 C ATOM 1445 CG LYS A 103 -7.716 -0.309 -13.676 1.00 0.00 C ATOM 1446 CD LYS A 103 -8.400 0.410 -14.841 1.00 0.00 C ATOM 1447 CE LYS A 103 -8.150 -0.323 -16.160 1.00 0.00 C ATOM 1448 NZ LYS A 103 -9.197 0.019 -17.149 1.00 0.00 N ATOM 0 H LYS A 103 -5.834 1.286 -12.814 1.00 0.00 H new ATOM 0 HA LYS A 103 -8.504 2.259 -13.103 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.495 -0.115 -11.540 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.127 0.165 -12.116 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.635 -0.288 -13.816 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -8.016 -1.357 -13.664 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.472 0.475 -14.654 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.027 1.432 -14.912 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.169 -0.054 -16.552 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.141 -1.399 -15.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.013 -0.487 -18.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -10.128 -0.259 -16.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.187 1.044 -17.325 1.00 0.00 H new ATOM 1457 N GLU A 104 -7.234 2.253 -10.068 1.00 0.00 N ATOM 1458 CA GLU A 104 -7.372 2.848 -8.750 1.00 0.00 C ATOM 1459 C GLU A 104 -7.632 4.351 -8.871 1.00 0.00 C ATOM 1460 O GLU A 104 -8.372 4.923 -8.072 1.00 0.00 O ATOM 1461 CB GLU A 104 -6.136 2.572 -7.891 1.00 0.00 C ATOM 1462 CG GLU A 104 -6.140 1.135 -7.369 1.00 0.00 C ATOM 1463 CD GLU A 104 -4.992 0.327 -7.978 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -5.234 -0.585 -8.782 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -3.813 0.677 -7.588 1.00 0.00 O ATOM 0 H GLU A 104 -6.453 1.604 -10.163 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.228 2.390 -8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.234 2.747 -8.478 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.109 3.267 -7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.051 1.139 -6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -7.091 0.660 -7.609 1.00 0.00 H new ATOM 1471 N PHE A 105 -7.009 4.948 -9.876 1.00 0.00 N ATOM 1472 CA PHE A 105 -7.163 6.374 -10.111 1.00 0.00 C ATOM 1473 C PHE A 105 -8.638 6.781 -10.060 1.00 0.00 C ATOM 1474 O PHE A 105 -8.974 7.846 -9.547 1.00 0.00 O ATOM 1475 CB PHE A 105 -6.617 6.658 -11.512 1.00 0.00 C ATOM 1476 CG PHE A 105 -5.913 8.009 -11.643 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -6.471 9.123 -11.096 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -4.729 8.098 -12.305 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -5.817 10.377 -11.217 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -4.075 9.352 -12.426 1.00 0.00 C ATOM 1481 CZ PHE A 105 -4.633 10.465 -11.880 1.00 0.00 C ATOM 0 H PHE A 105 -6.396 4.470 -10.537 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.631 6.937 -9.345 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.918 5.868 -11.785 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.439 6.618 -12.226 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -7.412 9.053 -10.570 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.286 7.214 -12.739 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -6.260 11.261 -10.783 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.134 9.422 -12.952 1.00 0.00 H new ATOM 0 HZ PHE A 105 -4.136 11.419 -11.973 1.00 0.00 H new ATOM 1490 N LYS A 106 -9.478 5.910 -10.600 1.00 0.00 N ATOM 1491 CA LYS A 106 -10.908 6.165 -10.623 1.00 0.00 C ATOM 1492 C LYS A 106 -11.330 6.801 -9.295 1.00 0.00 C ATOM 1493 O LYS A 106 -12.265 7.599 -9.255 1.00 0.00 O ATOM 1494 CB LYS A 106 -11.676 4.886 -10.962 1.00 0.00 C ATOM 1495 CG LYS A 106 -12.390 4.331 -9.728 1.00 0.00 C ATOM 1496 CD LYS A 106 -11.477 3.382 -8.948 1.00 0.00 C ATOM 1497 CE LYS A 106 -12.276 2.226 -8.343 1.00 0.00 C ATOM 1498 NZ LYS A 106 -12.066 0.987 -9.123 1.00 0.00 N ATOM 0 H LYS A 106 -9.195 5.027 -11.025 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.155 6.876 -11.411 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.405 5.092 -11.746 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.988 4.138 -11.355 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.702 5.153 -9.084 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -13.294 3.804 -10.033 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.705 2.988 -9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.968 3.931 -8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -11.971 2.068 -7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.336 2.478 -8.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.615 0.212 -8.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.379 1.137 -10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -11.056 0.739 -9.116 1.00 0.00 H new ATOM 1507 N ILE A 107 -10.618 6.425 -8.243 1.00 0.00 N ATOM 1508 CA ILE A 107 -10.906 6.948 -6.919 1.00 0.00 C ATOM 1509 C ILE A 107 -11.177 8.450 -7.017 1.00 0.00 C ATOM 1510 O ILE A 107 -11.916 9.006 -6.206 1.00 0.00 O ATOM 1511 CB ILE A 107 -9.782 6.587 -5.945 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -10.288 6.589 -4.500 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -8.577 7.511 -6.131 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -10.524 8.017 -4.003 1.00 0.00 C ATOM 0 H ILE A 107 -9.842 5.764 -8.281 1.00 0.00 H new ATOM 0 HA ILE A 107 -11.807 6.487 -6.514 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.448 5.574 -6.169 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -11.215 6.020 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.563 6.091 -3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.793 7.233 -5.427 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.200 7.417 -7.149 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -8.878 8.543 -5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -10.883 7.990 -2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.590 8.576 -4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -11.268 8.504 -4.634 1.00 0.00 H new ATOM 1525 N THR A 108 -10.563 9.066 -8.017 1.00 0.00 N ATOM 1526 CA THR A 108 -10.729 10.494 -8.231 1.00 0.00 C ATOM 1527 C THR A 108 -10.931 10.790 -9.719 1.00 0.00 C ATOM 1528 O THR A 108 -11.936 11.383 -10.106 1.00 0.00 O ATOM 1529 CB THR A 108 -9.515 11.206 -7.630 1.00 0.00 C ATOM 1530 OG1 THR A 108 -9.912 11.495 -6.291 1.00 0.00 O ATOM 1531 CG2 THR A 108 -9.276 12.582 -8.252 1.00 0.00 C ATOM 0 H THR A 108 -9.950 8.603 -8.688 1.00 0.00 H new ATOM 0 HA THR A 108 -11.623 10.868 -7.732 1.00 0.00 H new ATOM 0 HB THR A 108 -8.627 10.588 -7.765 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.549 10.816 -5.985 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.403 13.044 -7.790 1.00 0.00 H new ATOM 0 HG22 THR A 108 -9.104 12.472 -9.323 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.150 13.212 -8.087 1.00 0.00 H new ATOM 1539 N ASP A 109 -9.959 10.363 -10.512 1.00 0.00 N ATOM 1540 CA ASP A 109 -10.018 10.575 -11.947 1.00 0.00 C ATOM 1541 C ASP A 109 -11.403 10.176 -12.461 1.00 0.00 C ATOM 1542 O ASP A 109 -11.838 10.647 -13.511 1.00 0.00 O ATOM 1543 CB ASP A 109 -8.979 9.717 -12.674 1.00 0.00 C ATOM 1544 CG ASP A 109 -9.307 9.404 -14.135 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -9.568 10.310 -14.940 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -9.288 8.151 -14.441 1.00 0.00 O ATOM 0 H ASP A 109 -9.126 9.871 -10.187 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.816 11.628 -12.141 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -8.017 10.227 -12.635 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -8.864 8.777 -12.134 1.00 0.00 H new