USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 974 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 41 ASN : amide:sc= -0.531 X(o=-0.53,f=-0.81) USER MOD Set 1.2: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 17 ASN : amide:sc= 0.425 K(o=1.4,f=-7.5!) USER MOD Set 2.2: A 19 SER OG : rot -79:sc= 0.977 USER MOD Single : A 1 MET CE :methyl -172:sc= -1.5 (180deg=-1.69) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.905 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 137:sc= -0.181 (180deg=-1.21) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -3.99! C(o=-4!,f=-5.3!) USER MOD Single : A 16 ASN : amide:sc= -1.26 K(o=-1.3,f=-4.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -62:sc= 0.378 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00242 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.01 K(o=-1,f=-6.3!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.0708) USER MOD Single : A 46 SER OG : rot 13:sc= 1 USER MOD Single : A 49 THR OG1 : rot -64:sc= -0.188 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00613) USER MOD Single : A 60 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0734) USER MOD Single : A 61 ASN : amide:sc= -0.732 K(o=-0.73,f=-2.4!) USER MOD Single : A 64 MET CE :methyl -97:sc= -0.0285 (180deg=-0.346) USER MOD Single : A 66 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0842) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00308 USER MOD Single : A 70 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.079) USER MOD Single : A 71 SER OG : rot 16:sc= 0.233 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0218 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -1.59 K(o=-1.6,f=-2.5) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -154:sc= -0.207 (180deg=-1.45!) USER MOD Single : A 95 CYS SG : rot -111:sc= 1.29 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0761) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 121.395 7.081 -2.430 1.00 0.00 N ATOM 2 CA GLY A -3 122.682 7.557 -1.848 1.00 0.00 C ATOM 3 C GLY A -3 122.491 7.860 -0.361 1.00 0.00 C ATOM 4 O GLY A -3 121.917 8.867 0.003 1.00 0.00 O ATOM 0 H1 GLY A -3 121.526 6.875 -3.441 1.00 0.00 H new ATOM 0 H2 GLY A -3 121.090 6.217 -1.938 1.00 0.00 H new ATOM 0 H3 GLY A -3 120.670 7.818 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A -3 123.454 6.799 -1.979 1.00 0.00 H new ATOM 0 HA3 GLY A -3 123.021 8.451 -2.371 1.00 0.00 H new ATOM 10 N ALA A -2 122.977 6.988 0.500 1.00 0.00 N ATOM 11 CA ALA A -2 122.809 7.165 1.988 1.00 0.00 C ATOM 12 C ALA A -2 121.319 7.264 2.370 1.00 0.00 C ATOM 13 O ALA A -2 120.716 6.282 2.764 1.00 0.00 O ATOM 14 CB ALA A -2 123.575 8.448 2.358 1.00 0.00 C ATOM 0 H ALA A -2 123.491 6.149 0.231 1.00 0.00 H new ATOM 0 HA ALA A -2 123.202 6.308 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A -2 123.488 8.628 3.430 1.00 0.00 H new ATOM 0 HB2 ALA A -2 124.626 8.333 2.094 1.00 0.00 H new ATOM 0 HB3 ALA A -2 123.154 9.293 1.813 1.00 0.00 H new ATOM 20 N MET A -1 120.723 8.430 2.258 1.00 0.00 N ATOM 21 CA MET A -1 119.284 8.587 2.636 1.00 0.00 C ATOM 22 C MET A -1 118.582 9.556 1.678 1.00 0.00 C ATOM 23 O MET A -1 117.691 10.290 2.067 1.00 0.00 O ATOM 24 CB MET A -1 119.294 9.142 4.071 1.00 0.00 C ATOM 25 CG MET A -1 120.067 10.468 4.130 1.00 0.00 C ATOM 26 SD MET A -1 120.188 11.018 5.850 1.00 0.00 S ATOM 27 CE MET A -1 121.344 9.746 6.415 1.00 0.00 C ATOM 0 H MET A -1 121.174 9.280 1.920 1.00 0.00 H new ATOM 0 HA MET A -1 118.742 7.643 2.578 1.00 0.00 H new ATOM 0 HB2 MET A -1 118.271 9.295 4.415 1.00 0.00 H new ATOM 0 HB3 MET A -1 119.752 8.417 4.744 1.00 0.00 H new ATOM 0 HG2 MET A -1 121.063 10.340 3.707 1.00 0.00 H new ATOM 0 HG3 MET A -1 119.560 11.224 3.530 1.00 0.00 H new ATOM 0 HE1 MET A -1 122.105 10.202 7.048 1.00 0.00 H new ATOM 0 HE2 MET A -1 120.803 8.990 6.984 1.00 0.00 H new ATOM 0 HE3 MET A -1 121.821 9.279 5.553 1.00 0.00 H new ATOM 37 N GLY A 0 118.981 9.562 0.427 1.00 0.00 N ATOM 38 CA GLY A 0 118.348 10.478 -0.570 1.00 0.00 C ATOM 39 C GLY A 0 116.896 10.055 -0.812 1.00 0.00 C ATOM 40 O GLY A 0 116.009 10.884 -0.911 1.00 0.00 O ATOM 0 H GLY A 0 119.722 8.968 0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 0 118.382 11.505 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 0 118.905 10.452 -1.507 1.00 0.00 H new ATOM 44 N MET A 1 116.651 8.770 -0.905 1.00 0.00 N ATOM 45 CA MET A 1 115.257 8.275 -1.123 1.00 0.00 C ATOM 46 C MET A 1 114.937 7.152 -0.132 1.00 0.00 C ATOM 47 O MET A 1 115.821 6.460 0.339 1.00 0.00 O ATOM 48 CB MET A 1 115.241 7.744 -2.558 1.00 0.00 C ATOM 49 CG MET A 1 115.421 8.907 -3.536 1.00 0.00 C ATOM 50 SD MET A 1 115.205 8.309 -5.231 1.00 0.00 S ATOM 51 CE MET A 1 113.407 8.117 -5.176 1.00 0.00 C ATOM 0 H MET A 1 117.361 8.040 -0.839 1.00 0.00 H new ATOM 0 HA MET A 1 114.513 9.057 -0.972 1.00 0.00 H new ATOM 0 HB2 MET A 1 116.038 7.013 -2.695 1.00 0.00 H new ATOM 0 HB3 MET A 1 114.300 7.231 -2.756 1.00 0.00 H new ATOM 0 HG2 MET A 1 114.696 9.692 -3.321 1.00 0.00 H new ATOM 0 HG3 MET A 1 116.412 9.346 -3.417 1.00 0.00 H new ATOM 0 HE1 MET A 1 113.066 7.619 -6.084 1.00 0.00 H new ATOM 0 HE2 MET A 1 113.131 7.518 -4.308 1.00 0.00 H new ATOM 0 HE3 MET A 1 112.938 9.098 -5.103 1.00 0.00 H new ATOM 61 N SER A 2 113.677 6.970 0.185 1.00 0.00 N ATOM 62 CA SER A 2 113.284 5.897 1.149 1.00 0.00 C ATOM 63 C SER A 2 112.296 4.929 0.491 1.00 0.00 C ATOM 64 O SER A 2 111.541 5.305 -0.387 1.00 0.00 O ATOM 65 CB SER A 2 112.618 6.633 2.311 1.00 0.00 C ATOM 66 OG SER A 2 113.518 7.604 2.829 1.00 0.00 O ATOM 0 H SER A 2 112.902 7.521 -0.185 1.00 0.00 H new ATOM 0 HA SER A 2 114.138 5.305 1.477 1.00 0.00 H new ATOM 0 HB2 SER A 2 111.700 7.114 1.973 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.338 5.926 3.092 1.00 0.00 H new ATOM 0 HG SER A 2 113.093 8.079 3.573 1.00 0.00 H new ATOM 72 N VAL A 3 112.301 3.687 0.911 1.00 0.00 N ATOM 73 CA VAL A 3 111.362 2.677 0.316 1.00 0.00 C ATOM 74 C VAL A 3 109.910 3.033 0.670 1.00 0.00 C ATOM 75 O VAL A 3 108.996 2.759 -0.087 1.00 0.00 O ATOM 76 CB VAL A 3 111.761 1.324 0.934 1.00 0.00 C ATOM 77 CG1 VAL A 3 110.860 0.212 0.387 1.00 0.00 C ATOM 78 CG2 VAL A 3 113.218 1.004 0.579 1.00 0.00 C ATOM 0 H VAL A 3 112.915 3.326 1.641 1.00 0.00 H new ATOM 0 HA VAL A 3 111.426 2.650 -0.772 1.00 0.00 H new ATOM 0 HB VAL A 3 111.648 1.385 2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 3 111.149 -0.741 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 3 109.822 0.428 0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 3 110.967 0.157 -0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 3 113.497 0.046 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.326 0.952 -0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.868 1.786 0.971 1.00 0.00 H new ATOM 88 N ALA A 4 109.695 3.639 1.815 1.00 0.00 N ATOM 89 CA ALA A 4 108.300 3.994 2.242 1.00 0.00 C ATOM 90 C ALA A 4 107.662 4.971 1.246 1.00 0.00 C ATOM 91 O ALA A 4 106.460 4.973 1.053 1.00 0.00 O ATOM 92 CB ALA A 4 108.448 4.654 3.615 1.00 0.00 C ATOM 0 H ALA A 4 110.427 3.904 2.474 1.00 0.00 H new ATOM 0 HA ALA A 4 107.656 3.116 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 4 107.465 4.940 3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 4 108.910 3.951 4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 4 109.075 5.541 3.527 1.00 0.00 H new ATOM 98 N ASP A 5 108.461 5.802 0.616 1.00 0.00 N ATOM 99 CA ASP A 5 107.908 6.770 -0.391 1.00 0.00 C ATOM 100 C ASP A 5 107.312 6.016 -1.584 1.00 0.00 C ATOM 101 O ASP A 5 106.275 6.387 -2.105 1.00 0.00 O ATOM 102 CB ASP A 5 109.100 7.621 -0.840 1.00 0.00 C ATOM 103 CG ASP A 5 109.600 8.473 0.332 1.00 0.00 C ATOM 104 OD1 ASP A 5 108.771 8.978 1.071 1.00 0.00 O ATOM 105 OD2 ASP A 5 110.804 8.606 0.467 1.00 0.00 O ATOM 0 H ASP A 5 109.470 5.853 0.754 1.00 0.00 H new ATOM 0 HA ASP A 5 107.111 7.382 0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 5 109.902 6.978 -1.202 1.00 0.00 H new ATOM 0 HB3 ASP A 5 108.808 8.264 -1.670 1.00 0.00 H new ATOM 110 N PHE A 6 107.961 4.962 -2.016 1.00 0.00 N ATOM 111 CA PHE A 6 107.421 4.155 -3.158 1.00 0.00 C ATOM 112 C PHE A 6 106.152 3.413 -2.724 1.00 0.00 C ATOM 113 O PHE A 6 105.242 3.215 -3.508 1.00 0.00 O ATOM 114 CB PHE A 6 108.527 3.160 -3.520 1.00 0.00 C ATOM 115 CG PHE A 6 109.774 3.819 -4.060 1.00 0.00 C ATOM 116 CD1 PHE A 6 110.807 4.213 -3.176 1.00 0.00 C ATOM 117 CD2 PHE A 6 109.910 4.045 -5.452 1.00 0.00 C ATOM 118 CE1 PHE A 6 111.976 4.831 -3.682 1.00 0.00 C ATOM 119 CE2 PHE A 6 111.080 4.664 -5.959 1.00 0.00 C ATOM 120 CZ PHE A 6 112.112 5.056 -5.073 1.00 0.00 C ATOM 0 H PHE A 6 108.842 4.625 -1.628 1.00 0.00 H new ATOM 0 HA PHE A 6 107.153 4.782 -4.009 1.00 0.00 H new ATOM 0 HB2 PHE A 6 108.786 2.579 -2.635 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.146 2.458 -4.262 1.00 0.00 H new ATOM 0 HD1 PHE A 6 110.703 4.042 -2.115 1.00 0.00 H new ATOM 0 HD2 PHE A 6 109.122 3.746 -6.127 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.764 5.131 -3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 6 111.184 4.836 -7.020 1.00 0.00 H new ATOM 0 HZ PHE A 6 113.004 5.527 -5.459 1.00 0.00 H new ATOM 130 N TYR A 7 106.089 3.005 -1.478 1.00 0.00 N ATOM 131 CA TYR A 7 104.855 2.327 -0.964 1.00 0.00 C ATOM 132 C TYR A 7 103.703 3.332 -0.885 1.00 0.00 C ATOM 133 O TYR A 7 103.845 4.406 -0.329 1.00 0.00 O ATOM 134 CB TYR A 7 105.220 1.820 0.436 1.00 0.00 C ATOM 135 CG TYR A 7 105.906 0.468 0.454 1.00 0.00 C ATOM 136 CD1 TYR A 7 106.831 0.113 -0.563 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.629 -0.443 1.503 1.00 0.00 C ATOM 138 CE1 TYR A 7 107.473 -1.147 -0.527 1.00 0.00 C ATOM 139 CE2 TYR A 7 106.270 -1.704 1.537 1.00 0.00 C ATOM 140 CZ TYR A 7 107.193 -2.056 0.522 1.00 0.00 C ATOM 141 OH TYR A 7 107.823 -3.282 0.561 1.00 0.00 O ATOM 0 H TYR A 7 106.839 3.112 -0.795 1.00 0.00 H new ATOM 0 HA TYR A 7 104.532 1.514 -1.614 1.00 0.00 H new ATOM 0 HB2 TYR A 7 105.872 2.551 0.915 1.00 0.00 H new ATOM 0 HB3 TYR A 7 104.312 1.761 1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 7 107.044 0.805 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 7 104.927 -0.174 2.279 1.00 0.00 H new ATOM 0 HE1 TYR A 7 108.177 -1.416 -1.300 1.00 0.00 H new ATOM 0 HE2 TYR A 7 106.056 -2.398 2.336 1.00 0.00 H new ATOM 0 HH TYR A 7 107.518 -3.782 1.347 1.00 0.00 H new ATOM 151 N GLY A 8 102.566 2.988 -1.437 1.00 0.00 N ATOM 152 CA GLY A 8 101.415 3.941 -1.456 1.00 0.00 C ATOM 153 C GLY A 8 101.501 4.866 -2.683 1.00 0.00 C ATOM 154 O GLY A 8 100.622 5.678 -2.906 1.00 0.00 O ATOM 0 H GLY A 8 102.385 2.085 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 8 100.477 3.387 -1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.414 4.537 -0.543 1.00 0.00 H new ATOM 158 N SER A 9 102.545 4.755 -3.479 1.00 0.00 N ATOM 159 CA SER A 9 102.662 5.620 -4.694 1.00 0.00 C ATOM 160 C SER A 9 101.947 4.963 -5.877 1.00 0.00 C ATOM 161 O SER A 9 101.914 3.751 -5.992 1.00 0.00 O ATOM 162 CB SER A 9 104.163 5.730 -4.968 1.00 0.00 C ATOM 163 OG SER A 9 104.377 6.633 -6.046 1.00 0.00 O ATOM 0 H SER A 9 103.317 4.103 -3.336 1.00 0.00 H new ATOM 0 HA SER A 9 102.206 6.599 -4.548 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.683 6.080 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.573 4.750 -5.212 1.00 0.00 H new ATOM 0 HG SER A 9 105.338 6.708 -6.224 1.00 0.00 H new ATOM 169 N ASN A 10 101.375 5.753 -6.752 1.00 0.00 N ATOM 170 CA ASN A 10 100.686 5.180 -7.948 1.00 0.00 C ATOM 171 C ASN A 10 101.661 5.086 -9.121 1.00 0.00 C ATOM 172 O ASN A 10 102.135 6.087 -9.629 1.00 0.00 O ATOM 173 CB ASN A 10 99.557 6.162 -8.270 1.00 0.00 C ATOM 174 CG ASN A 10 98.479 6.079 -7.189 1.00 0.00 C ATOM 175 OD1 ASN A 10 97.456 5.453 -7.382 1.00 0.00 O ATOM 176 ND2 ASN A 10 98.665 6.688 -6.051 1.00 0.00 N ATOM 0 H ASN A 10 101.356 6.771 -6.689 1.00 0.00 H new ATOM 0 HA ASN A 10 100.309 4.174 -7.763 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.950 7.177 -8.328 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.127 5.930 -9.245 1.00 0.00 H new ATOM 0 HD21 ASN A 10 97.952 6.639 -5.324 1.00 0.00 H new ATOM 0 HD22 ASN A 10 99.524 7.214 -5.888 1.00 0.00 H new ATOM 183 N VAL A 11 101.962 3.887 -9.551 1.00 0.00 N ATOM 184 CA VAL A 11 102.876 3.703 -10.721 1.00 0.00 C ATOM 185 C VAL A 11 102.212 2.795 -11.758 1.00 0.00 C ATOM 186 O VAL A 11 101.320 2.030 -11.436 1.00 0.00 O ATOM 187 CB VAL A 11 104.151 3.049 -10.158 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.821 3.999 -9.164 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.808 1.733 -9.444 1.00 0.00 C ATOM 0 H VAL A 11 101.612 3.022 -9.140 1.00 0.00 H new ATOM 0 HA VAL A 11 103.105 4.647 -11.216 1.00 0.00 H new ATOM 0 HB VAL A 11 104.829 2.840 -10.986 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.723 3.533 -8.767 1.00 0.00 H new ATOM 0 HG12 VAL A 11 105.084 4.928 -9.670 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.134 4.214 -8.346 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.720 1.283 -9.052 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.120 1.933 -8.623 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.340 1.047 -10.150 1.00 0.00 H new ATOM 199 N GLU A 12 102.636 2.870 -12.997 1.00 0.00 N ATOM 200 CA GLU A 12 102.138 1.906 -14.020 1.00 0.00 C ATOM 201 C GLU A 12 103.313 1.094 -14.572 1.00 0.00 C ATOM 202 O GLU A 12 104.416 1.589 -14.690 1.00 0.00 O ATOM 203 CB GLU A 12 101.506 2.778 -15.112 1.00 0.00 C ATOM 204 CG GLU A 12 100.959 1.896 -16.243 1.00 0.00 C ATOM 205 CD GLU A 12 100.334 2.779 -17.326 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.626 3.708 -16.972 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.573 2.511 -18.491 1.00 0.00 O ATOM 0 H GLU A 12 103.306 3.558 -13.341 1.00 0.00 H new ATOM 0 HA GLU A 12 101.419 1.192 -13.617 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.702 3.379 -14.688 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.247 3.472 -15.508 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.762 1.294 -16.669 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.215 1.203 -15.850 1.00 0.00 H new ATOM 214 N VAL A 13 103.081 -0.150 -14.902 1.00 0.00 N ATOM 215 CA VAL A 13 104.167 -0.990 -15.486 1.00 0.00 C ATOM 216 C VAL A 13 103.619 -1.798 -16.663 1.00 0.00 C ATOM 217 O VAL A 13 102.490 -2.254 -16.632 1.00 0.00 O ATOM 218 CB VAL A 13 104.621 -1.913 -14.340 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.501 -2.886 -13.950 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.842 -2.716 -14.788 1.00 0.00 C ATOM 0 H VAL A 13 102.183 -0.621 -14.792 1.00 0.00 H new ATOM 0 HA VAL A 13 104.997 -0.397 -15.870 1.00 0.00 H new ATOM 0 HB VAL A 13 104.870 -1.296 -13.477 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.843 -3.529 -13.139 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.627 -2.323 -13.623 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.236 -3.499 -14.811 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.165 -3.370 -13.978 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.582 -3.318 -15.659 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.651 -2.033 -15.047 1.00 0.00 H new ATOM 230 N LEU A 14 104.400 -1.979 -17.698 1.00 0.00 N ATOM 231 CA LEU A 14 103.988 -2.947 -18.760 1.00 0.00 C ATOM 232 C LEU A 14 104.636 -4.297 -18.493 1.00 0.00 C ATOM 233 O LEU A 14 105.809 -4.377 -18.170 1.00 0.00 O ATOM 234 CB LEU A 14 104.478 -2.410 -20.114 1.00 0.00 C ATOM 235 CG LEU A 14 104.106 -0.930 -20.358 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.923 -0.724 -21.865 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.808 -0.534 -19.635 1.00 0.00 C ATOM 0 H LEU A 14 105.291 -1.507 -17.853 1.00 0.00 H new ATOM 0 HA LEU A 14 102.904 -3.063 -18.765 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.561 -2.519 -20.169 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.056 -3.020 -20.913 1.00 0.00 H new ATOM 0 HG LEU A 14 104.906 -0.304 -19.964 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.660 0.315 -22.061 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.852 -0.966 -22.381 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.127 -1.374 -22.227 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.586 0.514 -19.835 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.987 -1.154 -19.995 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.930 -0.681 -18.562 1.00 0.00 H new ATOM 249 N LEU A 15 103.887 -5.355 -18.626 1.00 0.00 N ATOM 250 CA LEU A 15 104.481 -6.713 -18.455 1.00 0.00 C ATOM 251 C LEU A 15 105.137 -7.166 -19.765 1.00 0.00 C ATOM 252 O LEU A 15 105.085 -6.477 -20.767 1.00 0.00 O ATOM 253 CB LEU A 15 103.313 -7.632 -18.087 1.00 0.00 C ATOM 254 CG LEU A 15 102.740 -7.221 -16.728 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.414 -7.948 -16.493 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.727 -7.598 -15.622 1.00 0.00 C ATOM 0 H LEU A 15 102.891 -5.340 -18.845 1.00 0.00 H new ATOM 0 HA LEU A 15 105.254 -6.728 -17.687 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.538 -7.575 -18.851 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.650 -8.668 -18.052 1.00 0.00 H new ATOM 0 HG LEU A 15 102.573 -6.144 -16.716 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.005 -7.656 -15.526 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.709 -7.682 -17.280 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.582 -9.025 -16.506 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.319 -7.305 -14.655 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.894 -8.675 -15.635 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.673 -7.083 -15.787 1.00 0.00 H new ATOM 268 N ASN A 16 105.751 -8.324 -19.754 1.00 0.00 N ATOM 269 CA ASN A 16 106.479 -8.829 -20.974 1.00 0.00 C ATOM 270 C ASN A 16 105.541 -8.931 -22.189 1.00 0.00 C ATOM 271 O ASN A 16 105.989 -8.930 -23.321 1.00 0.00 O ATOM 272 CB ASN A 16 107.016 -10.218 -20.587 1.00 0.00 C ATOM 273 CG ASN A 16 105.864 -11.145 -20.179 1.00 0.00 C ATOM 274 OD1 ASN A 16 104.967 -11.398 -20.958 1.00 0.00 O ATOM 275 ND2 ASN A 16 105.853 -11.664 -18.981 1.00 0.00 N ATOM 0 H ASN A 16 105.783 -8.950 -18.949 1.00 0.00 H new ATOM 0 HA ASN A 16 107.278 -8.147 -21.265 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.559 -10.651 -21.427 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.724 -10.124 -19.764 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.091 -12.282 -18.700 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.606 -11.452 -18.326 1.00 0.00 H new ATOM 282 N ASN A 17 104.254 -9.018 -21.962 1.00 0.00 N ATOM 283 CA ASN A 17 103.298 -9.209 -23.097 1.00 0.00 C ATOM 284 C ASN A 17 102.657 -7.872 -23.515 1.00 0.00 C ATOM 285 O ASN A 17 101.577 -7.855 -24.074 1.00 0.00 O ATOM 286 CB ASN A 17 102.236 -10.191 -22.571 1.00 0.00 C ATOM 287 CG ASN A 17 101.478 -9.595 -21.374 1.00 0.00 C ATOM 288 OD1 ASN A 17 101.925 -8.645 -20.761 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.340 -10.123 -21.014 1.00 0.00 N ATOM 0 H ASN A 17 103.823 -8.965 -21.039 1.00 0.00 H new ATOM 0 HA ASN A 17 103.799 -9.592 -23.986 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.532 -10.432 -23.368 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.714 -11.125 -22.275 1.00 0.00 H new ATOM 0 HD21 ASN A 17 99.828 -9.739 -20.220 1.00 0.00 H new ATOM 0 HD22 ASN A 17 99.963 -10.920 -21.527 1.00 0.00 H new ATOM 296 N ASP A 18 103.311 -6.751 -23.245 1.00 0.00 N ATOM 297 CA ASP A 18 102.790 -5.417 -23.705 1.00 0.00 C ATOM 298 C ASP A 18 101.378 -5.167 -23.158 1.00 0.00 C ATOM 299 O ASP A 18 100.604 -4.427 -23.740 1.00 0.00 O ATOM 300 CB ASP A 18 102.775 -5.468 -25.242 1.00 0.00 C ATOM 301 CG ASP A 18 104.204 -5.624 -25.764 1.00 0.00 C ATOM 302 OD1 ASP A 18 104.636 -6.754 -25.924 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.844 -4.610 -25.997 1.00 0.00 O ATOM 0 H ASP A 18 104.186 -6.709 -22.723 1.00 0.00 H new ATOM 0 HA ASP A 18 103.417 -4.603 -23.342 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.160 -6.301 -25.582 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.328 -4.558 -25.642 1.00 0.00 H new ATOM 308 N SER A 19 101.037 -5.780 -22.046 1.00 0.00 N ATOM 309 CA SER A 19 99.768 -5.427 -21.349 1.00 0.00 C ATOM 310 C SER A 19 100.079 -4.446 -20.222 1.00 0.00 C ATOM 311 O SER A 19 101.005 -4.648 -19.456 1.00 0.00 O ATOM 312 CB SER A 19 99.234 -6.748 -20.790 1.00 0.00 C ATOM 313 OG SER A 19 100.090 -7.200 -19.749 1.00 0.00 O ATOM 0 H SER A 19 101.588 -6.510 -21.595 1.00 0.00 H new ATOM 0 HA SER A 19 99.038 -4.955 -22.006 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.221 -6.612 -20.410 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.180 -7.495 -21.582 1.00 0.00 H new ATOM 0 HG SER A 19 100.884 -7.622 -20.139 1.00 0.00 H new ATOM 319 N LYS A 20 99.319 -3.388 -20.111 1.00 0.00 N ATOM 320 CA LYS A 20 99.699 -2.290 -19.171 1.00 0.00 C ATOM 321 C LYS A 20 98.742 -2.255 -17.975 1.00 0.00 C ATOM 322 O LYS A 20 97.545 -2.422 -18.122 1.00 0.00 O ATOM 323 CB LYS A 20 99.572 -0.983 -19.977 1.00 0.00 C ATOM 324 CG LYS A 20 100.185 -1.137 -21.378 1.00 0.00 C ATOM 325 CD LYS A 20 100.259 0.233 -22.057 1.00 0.00 C ATOM 326 CE LYS A 20 100.772 0.066 -23.490 1.00 0.00 C ATOM 327 NZ LYS A 20 100.169 1.198 -24.248 1.00 0.00 N ATOM 0 H LYS A 20 98.453 -3.236 -20.629 1.00 0.00 H new ATOM 0 HA LYS A 20 100.707 -2.433 -18.782 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.521 -0.706 -20.064 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.072 -0.174 -19.445 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.182 -1.572 -21.305 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.582 -1.819 -21.977 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.274 0.701 -22.064 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.921 0.893 -21.497 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.861 0.102 -23.526 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.470 -0.894 -23.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 100.474 1.152 -25.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.132 1.134 -24.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.479 2.099 -23.831 1.00 0.00 H new ATOM 341 N ALA A 21 99.270 -2.039 -16.794 1.00 0.00 N ATOM 342 CA ALA A 21 98.400 -1.909 -15.585 1.00 0.00 C ATOM 343 C ALA A 21 98.959 -0.832 -14.650 1.00 0.00 C ATOM 344 O ALA A 21 100.159 -0.654 -14.546 1.00 0.00 O ATOM 345 CB ALA A 21 98.448 -3.281 -14.912 1.00 0.00 C ATOM 0 H ALA A 21 100.270 -1.947 -16.616 1.00 0.00 H new ATOM 0 HA ALA A 21 97.381 -1.616 -15.837 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.832 -3.267 -14.013 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.069 -4.037 -15.600 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.477 -3.518 -14.643 1.00 0.00 H new ATOM 351 N ARG A 22 98.096 -0.115 -13.967 1.00 0.00 N ATOM 352 CA ARG A 22 98.568 0.963 -13.043 1.00 0.00 C ATOM 353 C ARG A 22 97.757 0.947 -11.744 1.00 0.00 C ATOM 354 O ARG A 22 96.586 0.617 -11.743 1.00 0.00 O ATOM 355 CB ARG A 22 98.359 2.283 -13.805 1.00 0.00 C ATOM 356 CG ARG A 22 96.876 2.470 -14.160 1.00 0.00 C ATOM 357 CD ARG A 22 96.727 3.649 -15.128 1.00 0.00 C ATOM 358 NE ARG A 22 95.250 3.827 -15.313 1.00 0.00 N ATOM 359 CZ ARG A 22 94.763 4.522 -16.324 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.547 5.098 -17.207 1.00 0.00 N ATOM 361 NH2 ARG A 22 93.470 4.644 -16.447 1.00 0.00 N ATOM 0 H ARG A 22 97.084 -0.232 -14.011 1.00 0.00 H new ATOM 0 HA ARG A 22 99.612 0.828 -12.761 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.702 3.120 -13.196 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.960 2.284 -14.715 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.482 1.561 -14.614 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.295 2.652 -13.256 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.184 4.551 -14.722 1.00 0.00 H new ATOM 0 HD3 ARG A 22 97.220 3.442 -16.078 1.00 0.00 H new ATOM 0 HE ARG A 22 94.608 3.402 -14.644 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.560 5.014 -17.121 1.00 0.00 H new ATOM 0 HH12 ARG A 22 95.143 5.629 -17.978 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.849 4.205 -15.767 1.00 0.00 H new ATOM 0 HH22 ARG A 22 93.080 5.178 -17.223 1.00 0.00 H new ATOM 375 N GLY A 23 98.377 1.302 -10.645 1.00 0.00 N ATOM 376 CA GLY A 23 97.650 1.320 -9.341 1.00 0.00 C ATOM 377 C GLY A 23 98.611 1.740 -8.227 1.00 0.00 C ATOM 378 O GLY A 23 99.735 2.129 -8.487 1.00 0.00 O ATOM 0 H GLY A 23 99.357 1.580 -10.597 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.809 2.012 -9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.239 0.333 -9.128 1.00 0.00 H new ATOM 382 N VAL A 24 98.178 1.665 -6.991 1.00 0.00 N ATOM 383 CA VAL A 24 99.045 2.115 -5.856 1.00 0.00 C ATOM 384 C VAL A 24 99.932 0.954 -5.391 1.00 0.00 C ATOM 385 O VAL A 24 99.514 -0.187 -5.378 1.00 0.00 O ATOM 386 CB VAL A 24 98.079 2.544 -4.736 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.876 3.055 -3.531 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.163 3.669 -5.233 1.00 0.00 C ATOM 0 H VAL A 24 97.261 1.311 -6.719 1.00 0.00 H new ATOM 0 HA VAL A 24 99.705 2.934 -6.143 1.00 0.00 H new ATOM 0 HB VAL A 24 97.478 1.682 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.188 3.357 -2.741 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.526 2.262 -3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.482 3.910 -3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.484 3.965 -4.434 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.768 4.525 -5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.586 3.317 -6.088 1.00 0.00 H new ATOM 398 N ILE A 25 101.151 1.242 -5.012 1.00 0.00 N ATOM 399 CA ILE A 25 102.074 0.160 -4.531 1.00 0.00 C ATOM 400 C ILE A 25 101.770 -0.173 -3.064 1.00 0.00 C ATOM 401 O ILE A 25 101.508 0.707 -2.264 1.00 0.00 O ATOM 402 CB ILE A 25 103.491 0.746 -4.683 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.775 1.020 -6.164 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.541 -0.234 -4.142 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.032 1.884 -6.294 1.00 0.00 C ATOM 0 H ILE A 25 101.551 2.180 -5.014 1.00 0.00 H new ATOM 0 HA ILE A 25 101.962 -0.767 -5.094 1.00 0.00 H new ATOM 0 HB ILE A 25 103.546 1.674 -4.114 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.911 0.080 -6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.924 1.526 -6.620 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.535 0.197 -4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.350 -0.426 -3.086 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.485 -1.170 -4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.233 2.078 -7.348 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.879 2.829 -5.774 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.880 1.361 -5.853 1.00 0.00 H new ATOM 417 N THR A 26 101.802 -1.438 -2.710 1.00 0.00 N ATOM 418 CA THR A 26 101.540 -1.831 -1.289 1.00 0.00 C ATOM 419 C THR A 26 102.687 -2.674 -0.717 1.00 0.00 C ATOM 420 O THR A 26 103.019 -2.549 0.449 1.00 0.00 O ATOM 421 CB THR A 26 100.247 -2.648 -1.329 1.00 0.00 C ATOM 422 OG1 THR A 26 100.379 -3.699 -2.275 1.00 0.00 O ATOM 423 CG2 THR A 26 99.078 -1.744 -1.724 1.00 0.00 C ATOM 0 H THR A 26 101.998 -2.213 -3.344 1.00 0.00 H new ATOM 0 HA THR A 26 101.457 -0.955 -0.646 1.00 0.00 H new ATOM 0 HB THR A 26 100.056 -3.071 -0.343 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.524 -3.320 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.159 -2.329 -1.752 1.00 0.00 H new ATOM 0 HG22 THR A 26 98.976 -0.942 -0.993 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.265 -1.316 -2.709 1.00 0.00 H new ATOM 431 N ASN A 27 103.300 -3.530 -1.510 1.00 0.00 N ATOM 432 CA ASN A 27 104.307 -4.478 -0.937 1.00 0.00 C ATOM 433 C ASN A 27 105.525 -4.608 -1.855 1.00 0.00 C ATOM 434 O ASN A 27 105.414 -4.545 -3.064 1.00 0.00 O ATOM 435 CB ASN A 27 103.575 -5.816 -0.836 1.00 0.00 C ATOM 436 CG ASN A 27 104.406 -6.793 -0.002 1.00 0.00 C ATOM 437 OD1 ASN A 27 105.093 -7.638 -0.540 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.373 -6.711 1.300 1.00 0.00 N ATOM 0 H ASN A 27 103.147 -3.610 -2.515 1.00 0.00 H new ATOM 0 HA ASN A 27 104.681 -4.134 0.027 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.596 -5.673 -0.379 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.405 -6.225 -1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 27 104.924 -7.356 1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 27 103.796 -6.001 1.752 1.00 0.00 H new ATOM 445 N PHE A 28 106.687 -4.784 -1.275 1.00 0.00 N ATOM 446 CA PHE A 28 107.910 -5.080 -2.079 1.00 0.00 C ATOM 447 C PHE A 28 108.863 -5.954 -1.261 1.00 0.00 C ATOM 448 O PHE A 28 109.205 -5.627 -0.139 1.00 0.00 O ATOM 449 CB PHE A 28 108.538 -3.717 -2.370 1.00 0.00 C ATOM 450 CG PHE A 28 109.645 -3.772 -3.395 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.346 -4.091 -4.742 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.981 -3.503 -3.010 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.384 -4.142 -5.704 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.019 -3.553 -3.972 1.00 0.00 C ATOM 455 CZ PHE A 28 111.720 -3.873 -5.320 1.00 0.00 C ATOM 0 H PHE A 28 106.840 -4.734 -0.268 1.00 0.00 H new ATOM 0 HA PHE A 28 107.686 -5.620 -2.999 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.763 -3.036 -2.720 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.932 -3.302 -1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.327 -4.295 -5.035 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.208 -3.260 -1.983 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.156 -4.386 -6.731 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.038 -3.347 -3.679 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.511 -3.912 -6.054 1.00 0.00 H new ATOM 465 N ASP A 29 109.292 -7.061 -1.815 1.00 0.00 N ATOM 466 CA ASP A 29 110.153 -8.011 -1.047 1.00 0.00 C ATOM 467 C ASP A 29 111.480 -8.225 -1.776 1.00 0.00 C ATOM 468 O ASP A 29 111.505 -8.643 -2.918 1.00 0.00 O ATOM 469 CB ASP A 29 109.354 -9.315 -0.995 1.00 0.00 C ATOM 470 CG ASP A 29 110.002 -10.275 0.006 1.00 0.00 C ATOM 471 OD1 ASP A 29 111.215 -10.402 -0.024 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.274 -10.865 0.787 1.00 0.00 O ATOM 0 H ASP A 29 109.081 -7.348 -2.771 1.00 0.00 H new ATOM 0 HA ASP A 29 110.393 -7.640 -0.051 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.324 -9.111 -0.704 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.321 -9.773 -1.984 1.00 0.00 H new ATOM 477 N SER A 30 112.579 -7.939 -1.121 1.00 0.00 N ATOM 478 CA SER A 30 113.919 -8.099 -1.772 1.00 0.00 C ATOM 479 C SER A 30 114.239 -9.582 -2.001 1.00 0.00 C ATOM 480 O SER A 30 114.939 -9.932 -2.933 1.00 0.00 O ATOM 481 CB SER A 30 114.922 -7.483 -0.795 1.00 0.00 C ATOM 482 OG SER A 30 114.541 -6.143 -0.512 1.00 0.00 O ATOM 0 H SER A 30 112.606 -7.600 -0.159 1.00 0.00 H new ATOM 0 HA SER A 30 113.951 -7.616 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 30 114.955 -8.066 0.126 1.00 0.00 H new ATOM 0 HB3 SER A 30 115.924 -7.505 -1.223 1.00 0.00 H new ATOM 0 HG SER A 30 115.181 -5.746 0.115 1.00 0.00 H new ATOM 488 N SER A 31 113.729 -10.453 -1.159 1.00 0.00 N ATOM 489 CA SER A 31 114.088 -11.909 -1.257 1.00 0.00 C ATOM 490 C SER A 31 113.679 -12.484 -2.619 1.00 0.00 C ATOM 491 O SER A 31 114.454 -13.161 -3.271 1.00 0.00 O ATOM 492 CB SER A 31 113.307 -12.596 -0.135 1.00 0.00 C ATOM 493 OG SER A 31 113.609 -11.965 1.102 1.00 0.00 O ATOM 0 H SER A 31 113.080 -10.219 -0.408 1.00 0.00 H new ATOM 0 HA SER A 31 115.163 -12.062 -1.162 1.00 0.00 H new ATOM 0 HB2 SER A 31 112.237 -12.539 -0.334 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.567 -13.654 -0.090 1.00 0.00 H new ATOM 0 HG SER A 31 113.109 -12.402 1.823 1.00 0.00 H new ATOM 499 N ASN A 32 112.469 -12.220 -3.049 1.00 0.00 N ATOM 500 CA ASN A 32 112.005 -12.740 -4.376 1.00 0.00 C ATOM 501 C ASN A 32 111.523 -11.597 -5.285 1.00 0.00 C ATOM 502 O ASN A 32 110.960 -11.839 -6.336 1.00 0.00 O ATOM 503 CB ASN A 32 110.843 -13.680 -4.045 1.00 0.00 C ATOM 504 CG ASN A 32 111.364 -14.896 -3.271 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.461 -15.361 -3.513 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.620 -15.432 -2.344 1.00 0.00 N ATOM 0 H ASN A 32 111.781 -11.666 -2.539 1.00 0.00 H new ATOM 0 HA ASN A 32 112.809 -13.242 -4.914 1.00 0.00 H new ATOM 0 HB2 ASN A 32 110.095 -13.154 -3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.353 -14.004 -4.963 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.958 -16.241 -1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.700 -15.043 -2.140 1.00 0.00 H new ATOM 513 N SER A 33 111.739 -10.354 -4.893 1.00 0.00 N ATOM 514 CA SER A 33 111.265 -9.181 -5.711 1.00 0.00 C ATOM 515 C SER A 33 109.777 -9.330 -6.074 1.00 0.00 C ATOM 516 O SER A 33 109.420 -9.498 -7.228 1.00 0.00 O ATOM 517 CB SER A 33 112.142 -9.178 -6.969 1.00 0.00 C ATOM 518 OG SER A 33 113.498 -9.406 -6.603 1.00 0.00 O ATOM 0 H SER A 33 112.228 -10.102 -4.034 1.00 0.00 H new ATOM 0 HA SER A 33 111.351 -8.244 -5.161 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.806 -9.950 -7.661 1.00 0.00 H new ATOM 0 HB3 SER A 33 112.050 -8.224 -7.487 1.00 0.00 H new ATOM 0 HG SER A 33 114.058 -9.406 -7.407 1.00 0.00 H new ATOM 524 N ILE A 34 108.912 -9.267 -5.091 1.00 0.00 N ATOM 525 CA ILE A 34 107.446 -9.423 -5.357 1.00 0.00 C ATOM 526 C ILE A 34 106.726 -8.101 -5.065 1.00 0.00 C ATOM 527 O ILE A 34 106.953 -7.475 -4.047 1.00 0.00 O ATOM 528 CB ILE A 34 106.964 -10.529 -4.401 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.802 -11.816 -4.589 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.484 -10.837 -4.667 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.672 -12.367 -6.021 1.00 0.00 C ATOM 0 H ILE A 34 109.158 -9.114 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 34 107.240 -9.683 -6.395 1.00 0.00 H new ATOM 0 HB ILE A 34 107.086 -10.178 -3.376 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.849 -11.605 -4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.475 -12.572 -3.875 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.148 -11.620 -3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.890 -9.937 -4.505 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.362 -11.172 -5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.273 -13.271 -6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.628 -12.601 -6.227 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.023 -11.619 -6.732 1.00 0.00 H new ATOM 543 N LEU A 35 105.860 -7.678 -5.955 1.00 0.00 N ATOM 544 CA LEU A 35 105.211 -6.339 -5.809 1.00 0.00 C ATOM 545 C LEU A 35 103.687 -6.479 -5.847 1.00 0.00 C ATOM 546 O LEU A 35 103.129 -7.012 -6.788 1.00 0.00 O ATOM 547 CB LEU A 35 105.708 -5.538 -7.015 1.00 0.00 C ATOM 548 CG LEU A 35 105.232 -4.088 -6.913 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.191 -3.295 -6.024 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.199 -3.467 -8.310 1.00 0.00 C ATOM 0 H LEU A 35 105.574 -8.206 -6.780 1.00 0.00 H new ATOM 0 HA LEU A 35 105.457 -5.857 -4.863 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.797 -5.570 -7.059 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.338 -5.987 -7.937 1.00 0.00 H new ATOM 0 HG LEU A 35 104.233 -4.063 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.851 -2.262 -5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.216 -3.739 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.191 -3.318 -6.456 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.860 -2.433 -8.241 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.199 -3.493 -8.743 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.515 -4.032 -8.943 1.00 0.00 H new ATOM 562 N GLN A 36 103.019 -6.003 -4.826 1.00 0.00 N ATOM 563 CA GLN A 36 101.530 -5.969 -4.849 1.00 0.00 C ATOM 564 C GLN A 36 101.050 -4.555 -5.176 1.00 0.00 C ATOM 565 O GLN A 36 101.464 -3.594 -4.552 1.00 0.00 O ATOM 566 CB GLN A 36 101.096 -6.372 -3.440 1.00 0.00 C ATOM 567 CG GLN A 36 101.376 -7.861 -3.225 1.00 0.00 C ATOM 568 CD GLN A 36 101.032 -8.245 -1.784 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.236 -7.472 -0.869 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.516 -9.419 -1.542 1.00 0.00 N ATOM 0 H GLN A 36 103.446 -5.636 -3.975 1.00 0.00 H new ATOM 0 HA GLN A 36 101.111 -6.635 -5.603 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.633 -5.780 -2.699 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.034 -6.167 -3.303 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.786 -8.457 -3.922 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.425 -8.077 -3.429 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.344 -10.069 -2.309 1.00 0.00 H new ATOM 0 HE22 GLN A 36 100.284 -9.687 -0.585 1.00 0.00 H new ATOM 579 N LEU A 37 100.184 -4.425 -6.151 1.00 0.00 N ATOM 580 CA LEU A 37 99.623 -3.083 -6.490 1.00 0.00 C ATOM 581 C LEU A 37 98.142 -3.028 -6.117 1.00 0.00 C ATOM 582 O LEU A 37 97.341 -3.797 -6.616 1.00 0.00 O ATOM 583 CB LEU A 37 99.797 -2.942 -8.005 1.00 0.00 C ATOM 584 CG LEU A 37 101.285 -2.878 -8.357 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.465 -3.124 -9.856 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.837 -1.493 -8.002 1.00 0.00 C ATOM 0 H LEU A 37 99.841 -5.194 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 37 100.123 -2.279 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.331 -3.786 -8.513 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.293 -2.041 -8.355 1.00 0.00 H new ATOM 0 HG LEU A 37 101.823 -3.640 -7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.525 -3.079 -10.108 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.073 -4.108 -10.113 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.926 -2.361 -10.417 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.897 -1.448 -8.253 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.298 -0.731 -8.565 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.709 -1.313 -6.935 1.00 0.00 H new ATOM 598 N ARG A 38 97.776 -2.124 -5.244 1.00 0.00 N ATOM 599 CA ARG A 38 96.336 -1.975 -4.870 1.00 0.00 C ATOM 600 C ARG A 38 95.708 -0.828 -5.666 1.00 0.00 C ATOM 601 O ARG A 38 96.203 0.283 -5.665 1.00 0.00 O ATOM 602 CB ARG A 38 96.341 -1.660 -3.372 1.00 0.00 C ATOM 603 CG ARG A 38 94.904 -1.643 -2.843 1.00 0.00 C ATOM 604 CD ARG A 38 94.910 -1.257 -1.361 1.00 0.00 C ATOM 605 NE ARG A 38 93.487 -1.392 -0.910 1.00 0.00 N ATOM 606 CZ ARG A 38 93.063 -0.832 0.208 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.869 -0.140 0.981 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.813 -0.973 0.556 1.00 0.00 N ATOM 0 H ARG A 38 98.413 -1.481 -4.773 1.00 0.00 H new ATOM 0 HA ARG A 38 95.754 -2.870 -5.088 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.927 -2.406 -2.836 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.815 -0.695 -3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.304 -0.933 -3.412 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.446 -2.624 -2.973 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.568 -1.910 -0.787 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.272 -0.238 -1.222 1.00 0.00 H new ATOM 0 HE ARG A 38 92.832 -1.928 -1.479 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.849 -0.025 0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 38 93.515 0.282 1.839 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.177 -1.510 -0.033 1.00 0.00 H new ATOM 0 HH22 ARG A 38 91.472 -0.546 1.417 1.00 0.00 H new ATOM 622 N LEU A 39 94.620 -1.094 -6.345 1.00 0.00 N ATOM 623 CA LEU A 39 94.008 -0.062 -7.232 1.00 0.00 C ATOM 624 C LEU A 39 92.786 0.578 -6.562 1.00 0.00 C ATOM 625 O LEU A 39 92.071 -0.060 -5.809 1.00 0.00 O ATOM 626 CB LEU A 39 93.606 -0.825 -8.498 1.00 0.00 C ATOM 627 CG LEU A 39 93.226 0.151 -9.621 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.409 1.065 -9.956 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.859 -0.650 -10.869 1.00 0.00 C ATOM 0 H LEU A 39 94.128 -1.987 -6.322 1.00 0.00 H new ATOM 0 HA LEU A 39 94.695 0.756 -7.449 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.430 -1.459 -8.824 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.765 -1.483 -8.281 1.00 0.00 H new ATOM 0 HG LEU A 39 92.384 0.760 -9.292 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.124 1.751 -10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.691 1.635 -9.071 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.255 0.460 -10.282 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.587 0.034 -11.673 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.713 -1.253 -11.178 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.015 -1.303 -10.647 1.00 0.00 H new ATOM 641 N ALA A 40 92.549 1.840 -6.843 1.00 0.00 N ATOM 642 CA ALA A 40 91.454 2.594 -6.144 1.00 0.00 C ATOM 643 C ALA A 40 90.066 2.017 -6.466 1.00 0.00 C ATOM 644 O ALA A 40 89.083 2.404 -5.859 1.00 0.00 O ATOM 645 CB ALA A 40 91.561 4.031 -6.662 1.00 0.00 C ATOM 0 H ALA A 40 93.070 2.384 -7.531 1.00 0.00 H new ATOM 0 HA ALA A 40 91.565 2.529 -5.062 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.791 4.644 -6.195 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.544 4.434 -6.417 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.425 4.039 -7.743 1.00 0.00 H new ATOM 651 N ASN A 41 89.967 1.103 -7.406 1.00 0.00 N ATOM 652 CA ASN A 41 88.648 0.453 -7.697 1.00 0.00 C ATOM 653 C ASN A 41 88.413 -0.759 -6.773 1.00 0.00 C ATOM 654 O ASN A 41 87.751 -1.707 -7.155 1.00 0.00 O ATOM 655 CB ASN A 41 88.746 -0.005 -9.154 1.00 0.00 C ATOM 656 CG ASN A 41 87.368 -0.453 -9.644 1.00 0.00 C ATOM 657 OD1 ASN A 41 87.116 -1.633 -9.790 1.00 0.00 O ATOM 658 ND2 ASN A 41 86.458 0.446 -9.906 1.00 0.00 N ATOM 0 H ASN A 41 90.743 0.780 -7.983 1.00 0.00 H new ATOM 0 HA ASN A 41 87.816 1.138 -7.530 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.118 0.808 -9.777 1.00 0.00 H new ATOM 0 HB3 ASN A 41 89.459 -0.825 -9.241 1.00 0.00 H new ATOM 0 HD21 ASN A 41 85.536 0.158 -10.233 1.00 0.00 H new ATOM 0 HD22 ASN A 41 86.669 1.436 -9.784 1.00 0.00 H new ATOM 665 N ASP A 42 88.948 -0.745 -5.560 1.00 0.00 N ATOM 666 CA ASP A 42 88.707 -1.872 -4.591 1.00 0.00 C ATOM 667 C ASP A 42 89.254 -3.190 -5.151 1.00 0.00 C ATOM 668 O ASP A 42 88.761 -4.256 -4.826 1.00 0.00 O ATOM 669 CB ASP A 42 87.184 -1.957 -4.410 1.00 0.00 C ATOM 670 CG ASP A 42 86.862 -2.705 -3.114 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.509 -2.428 -2.116 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.975 -3.542 -3.141 1.00 0.00 O ATOM 0 H ASP A 42 89.542 0.003 -5.203 1.00 0.00 H new ATOM 0 HA ASP A 42 89.213 -1.694 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.755 -0.956 -4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.735 -2.471 -5.260 1.00 0.00 H new ATOM 677 N SER A 43 90.268 -3.132 -5.991 1.00 0.00 N ATOM 678 CA SER A 43 90.870 -4.389 -6.533 1.00 0.00 C ATOM 679 C SER A 43 92.357 -4.454 -6.176 1.00 0.00 C ATOM 680 O SER A 43 93.060 -3.464 -6.240 1.00 0.00 O ATOM 681 CB SER A 43 90.683 -4.297 -8.048 1.00 0.00 C ATOM 682 OG SER A 43 89.295 -4.241 -8.347 1.00 0.00 O ATOM 0 H SER A 43 90.700 -2.269 -6.321 1.00 0.00 H new ATOM 0 HA SER A 43 90.404 -5.284 -6.121 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.186 -3.411 -8.435 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.137 -5.160 -8.535 1.00 0.00 H new ATOM 0 HG SER A 43 89.172 -4.180 -9.317 1.00 0.00 H new ATOM 688 N THR A 44 92.836 -5.616 -5.801 1.00 0.00 N ATOM 689 CA THR A 44 94.280 -5.758 -5.430 1.00 0.00 C ATOM 690 C THR A 44 94.889 -6.980 -6.130 1.00 0.00 C ATOM 691 O THR A 44 94.237 -7.994 -6.300 1.00 0.00 O ATOM 692 CB THR A 44 94.291 -5.930 -3.901 1.00 0.00 C ATOM 693 OG1 THR A 44 95.633 -6.052 -3.452 1.00 0.00 O ATOM 694 CG2 THR A 44 93.498 -7.179 -3.492 1.00 0.00 C ATOM 0 H THR A 44 92.288 -6.474 -5.736 1.00 0.00 H new ATOM 0 HA THR A 44 94.873 -4.897 -5.737 1.00 0.00 H new ATOM 0 HB THR A 44 93.824 -5.057 -3.445 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.644 -6.160 -2.478 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.518 -7.283 -2.407 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.466 -7.081 -3.829 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.947 -8.061 -3.949 1.00 0.00 H new ATOM 702 N LYS A 45 96.133 -6.883 -6.532 1.00 0.00 N ATOM 703 CA LYS A 45 96.789 -8.026 -7.236 1.00 0.00 C ATOM 704 C LYS A 45 98.264 -8.122 -6.843 1.00 0.00 C ATOM 705 O LYS A 45 98.935 -7.120 -6.673 1.00 0.00 O ATOM 706 CB LYS A 45 96.652 -7.707 -8.725 1.00 0.00 C ATOM 707 CG LYS A 45 95.222 -8.005 -9.179 1.00 0.00 C ATOM 708 CD LYS A 45 95.092 -7.725 -10.678 1.00 0.00 C ATOM 709 CE LYS A 45 95.734 -8.867 -11.469 1.00 0.00 C ATOM 710 NZ LYS A 45 94.681 -9.918 -11.547 1.00 0.00 N ATOM 0 H LYS A 45 96.722 -6.060 -6.402 1.00 0.00 H new ATOM 0 HA LYS A 45 96.332 -8.981 -6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 45 96.892 -6.660 -8.907 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.360 -8.302 -9.302 1.00 0.00 H new ATOM 0 HG2 LYS A 45 94.972 -9.045 -8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.516 -7.389 -8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 45 94.041 -7.626 -10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.576 -6.780 -10.925 1.00 0.00 H new ATOM 0 HE2 LYS A 45 96.038 -8.538 -12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 45 96.628 -9.240 -10.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 95.126 -10.858 -11.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 94.032 -9.820 -10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.149 -9.811 -12.434 1.00 0.00 H new ATOM 724 N SER A 46 98.768 -9.323 -6.695 1.00 0.00 N ATOM 725 CA SER A 46 100.216 -9.505 -6.375 1.00 0.00 C ATOM 726 C SER A 46 100.963 -10.013 -7.610 1.00 0.00 C ATOM 727 O SER A 46 100.648 -11.060 -8.145 1.00 0.00 O ATOM 728 CB SER A 46 100.246 -10.549 -5.259 1.00 0.00 C ATOM 729 OG SER A 46 99.804 -11.798 -5.774 1.00 0.00 O ATOM 0 H SER A 46 98.235 -10.188 -6.783 1.00 0.00 H new ATOM 0 HA SER A 46 100.696 -8.575 -6.072 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.256 -10.644 -4.861 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.606 -10.235 -4.434 1.00 0.00 H new ATOM 0 HG SER A 46 99.783 -11.759 -6.753 1.00 0.00 H new ATOM 735 N ILE A 47 101.950 -9.279 -8.063 1.00 0.00 N ATOM 736 CA ILE A 47 102.703 -9.694 -9.288 1.00 0.00 C ATOM 737 C ILE A 47 104.206 -9.660 -9.000 1.00 0.00 C ATOM 738 O ILE A 47 104.720 -8.692 -8.470 1.00 0.00 O ATOM 739 CB ILE A 47 102.328 -8.663 -10.369 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.812 -8.684 -10.608 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.043 -9.005 -11.681 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.410 -7.473 -11.454 1.00 0.00 C ATOM 0 H ILE A 47 102.267 -8.409 -7.636 1.00 0.00 H new ATOM 0 HA ILE A 47 102.457 -10.707 -9.607 1.00 0.00 H new ATOM 0 HB ILE A 47 102.632 -7.672 -10.030 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.526 -9.606 -11.115 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.283 -8.667 -9.655 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.775 -8.273 -12.443 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.121 -8.986 -11.523 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.742 -9.999 -12.011 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.333 -7.489 -11.623 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.682 -6.557 -10.930 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.928 -7.510 -12.412 1.00 0.00 H new ATOM 754 N VAL A 48 104.910 -10.709 -9.345 1.00 0.00 N ATOM 755 CA VAL A 48 106.390 -10.725 -9.123 1.00 0.00 C ATOM 756 C VAL A 48 107.062 -9.783 -10.127 1.00 0.00 C ATOM 757 O VAL A 48 106.714 -9.756 -11.289 1.00 0.00 O ATOM 758 CB VAL A 48 106.844 -12.180 -9.344 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.336 -12.311 -9.009 1.00 0.00 C ATOM 760 CG2 VAL A 48 106.024 -13.136 -8.457 1.00 0.00 C ATOM 0 H VAL A 48 104.526 -11.553 -9.770 1.00 0.00 H new ATOM 0 HA VAL A 48 106.660 -10.388 -8.122 1.00 0.00 H new ATOM 0 HB VAL A 48 106.682 -12.446 -10.389 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.655 -13.341 -9.166 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.913 -11.650 -9.655 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.501 -12.035 -7.967 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.355 -14.161 -8.623 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.168 -12.874 -7.409 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.967 -13.051 -8.710 1.00 0.00 H new ATOM 770 N THR A 49 108.023 -9.014 -9.682 1.00 0.00 N ATOM 771 CA THR A 49 108.618 -7.949 -10.555 1.00 0.00 C ATOM 772 C THR A 49 109.269 -8.550 -11.806 1.00 0.00 C ATOM 773 O THR A 49 109.406 -7.886 -12.815 1.00 0.00 O ATOM 774 CB THR A 49 109.669 -7.240 -9.694 1.00 0.00 C ATOM 775 OG1 THR A 49 110.627 -8.188 -9.247 1.00 0.00 O ATOM 776 CG2 THR A 49 108.995 -6.581 -8.488 1.00 0.00 C ATOM 0 H THR A 49 108.425 -9.076 -8.747 1.00 0.00 H new ATOM 0 HA THR A 49 107.850 -7.261 -10.908 1.00 0.00 H new ATOM 0 HB THR A 49 110.165 -6.472 -10.288 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.190 -8.847 -8.668 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.748 -6.079 -7.880 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.262 -5.852 -8.834 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.494 -7.342 -7.890 1.00 0.00 H new ATOM 784 N LYS A 50 109.673 -9.797 -11.749 1.00 0.00 N ATOM 785 CA LYS A 50 110.402 -10.412 -12.909 1.00 0.00 C ATOM 786 C LYS A 50 109.560 -10.337 -14.189 1.00 0.00 C ATOM 787 O LYS A 50 110.091 -10.352 -15.285 1.00 0.00 O ATOM 788 CB LYS A 50 110.649 -11.870 -12.514 1.00 0.00 C ATOM 789 CG LYS A 50 111.609 -11.927 -11.324 1.00 0.00 C ATOM 790 CD LYS A 50 113.040 -11.690 -11.810 1.00 0.00 C ATOM 791 CE LYS A 50 113.619 -12.999 -12.350 1.00 0.00 C ATOM 792 NZ LYS A 50 115.096 -12.848 -12.225 1.00 0.00 N ATOM 0 H LYS A 50 109.531 -10.416 -10.951 1.00 0.00 H new ATOM 0 HA LYS A 50 111.333 -9.885 -13.118 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.706 -12.352 -12.256 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.067 -12.419 -13.357 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.335 -11.173 -10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.537 -12.897 -10.831 1.00 0.00 H new ATOM 0 HD2 LYS A 50 113.049 -10.927 -12.589 1.00 0.00 H new ATOM 0 HD3 LYS A 50 113.656 -11.318 -10.992 1.00 0.00 H new ATOM 0 HE2 LYS A 50 113.260 -13.855 -11.778 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.325 -13.162 -13.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 115.564 -13.708 -12.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 115.410 -12.030 -12.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 115.347 -12.701 -11.226 1.00 0.00 H new ATOM 806 N ASP A 51 108.256 -10.258 -14.060 1.00 0.00 N ATOM 807 CA ASP A 51 107.396 -10.091 -15.275 1.00 0.00 C ATOM 808 C ASP A 51 107.229 -8.604 -15.643 1.00 0.00 C ATOM 809 O ASP A 51 106.432 -8.267 -16.501 1.00 0.00 O ATOM 810 CB ASP A 51 106.041 -10.737 -14.931 1.00 0.00 C ATOM 811 CG ASP A 51 105.396 -10.064 -13.711 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.332 -8.847 -13.685 1.00 0.00 O ATOM 813 OD2 ASP A 51 104.971 -10.786 -12.823 1.00 0.00 O ATOM 0 H ASP A 51 107.754 -10.302 -13.173 1.00 0.00 H new ATOM 0 HA ASP A 51 107.849 -10.566 -16.145 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.371 -10.661 -15.788 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.182 -11.799 -14.731 1.00 0.00 H new ATOM 818 N ILE A 52 107.965 -7.713 -15.008 1.00 0.00 N ATOM 819 CA ILE A 52 107.919 -6.271 -15.418 1.00 0.00 C ATOM 820 C ILE A 52 108.760 -6.064 -16.681 1.00 0.00 C ATOM 821 O ILE A 52 109.971 -6.196 -16.659 1.00 0.00 O ATOM 822 CB ILE A 52 108.509 -5.478 -14.235 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.598 -5.642 -13.005 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.624 -3.987 -14.605 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.238 -4.965 -11.785 1.00 0.00 C ATOM 0 H ILE A 52 108.590 -7.923 -14.230 1.00 0.00 H new ATOM 0 HA ILE A 52 106.905 -5.942 -15.646 1.00 0.00 H new ATOM 0 HB ILE A 52 109.503 -5.861 -14.005 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.621 -5.202 -13.205 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.436 -6.700 -12.801 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.042 -3.434 -13.763 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.276 -3.876 -15.471 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.636 -3.594 -14.842 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.587 -5.086 -10.919 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.205 -5.425 -11.579 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.377 -3.903 -11.989 1.00 0.00 H new ATOM 837 N LYS A 53 108.122 -5.740 -17.778 1.00 0.00 N ATOM 838 CA LYS A 53 108.887 -5.340 -19.001 1.00 0.00 C ATOM 839 C LYS A 53 109.297 -3.868 -18.906 1.00 0.00 C ATOM 840 O LYS A 53 110.393 -3.498 -19.287 1.00 0.00 O ATOM 841 CB LYS A 53 107.928 -5.553 -20.174 1.00 0.00 C ATOM 842 CG LYS A 53 108.663 -5.313 -21.497 1.00 0.00 C ATOM 843 CD LYS A 53 109.643 -6.460 -21.757 1.00 0.00 C ATOM 844 CE LYS A 53 110.295 -6.275 -23.129 1.00 0.00 C ATOM 845 NZ LYS A 53 111.430 -5.340 -22.892 1.00 0.00 N ATOM 0 H LYS A 53 107.107 -5.735 -17.880 1.00 0.00 H new ATOM 0 HA LYS A 53 109.801 -5.923 -19.119 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.528 -6.567 -20.149 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.080 -4.873 -20.090 1.00 0.00 H new ATOM 0 HG2 LYS A 53 107.946 -5.242 -22.315 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.199 -4.365 -21.460 1.00 0.00 H new ATOM 0 HD2 LYS A 53 110.407 -6.483 -20.980 1.00 0.00 H new ATOM 0 HD3 LYS A 53 109.120 -7.415 -21.717 1.00 0.00 H new ATOM 0 HE2 LYS A 53 110.644 -7.226 -23.532 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.588 -5.864 -23.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 111.958 -5.204 -23.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 111.063 -4.424 -22.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 112.063 -5.739 -22.169 1.00 0.00 H new ATOM 859 N ASP A 54 108.426 -3.029 -18.399 1.00 0.00 N ATOM 860 CA ASP A 54 108.712 -1.554 -18.402 1.00 0.00 C ATOM 861 C ASP A 54 107.990 -0.856 -17.247 1.00 0.00 C ATOM 862 O ASP A 54 106.888 -1.220 -16.888 1.00 0.00 O ATOM 863 CB ASP A 54 108.183 -1.040 -19.742 1.00 0.00 C ATOM 864 CG ASP A 54 109.073 -1.548 -20.879 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.280 -1.422 -20.760 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.530 -2.052 -21.849 1.00 0.00 O ATOM 0 H ASP A 54 107.533 -3.297 -17.985 1.00 0.00 H new ATOM 0 HA ASP A 54 109.776 -1.354 -18.276 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.157 -1.377 -19.892 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.164 0.050 -19.742 1.00 0.00 H new ATOM 871 N LEU A 55 108.607 0.150 -16.671 1.00 0.00 N ATOM 872 CA LEU A 55 107.999 0.840 -15.489 1.00 0.00 C ATOM 873 C LEU A 55 107.867 2.346 -15.744 1.00 0.00 C ATOM 874 O LEU A 55 108.708 2.951 -16.383 1.00 0.00 O ATOM 875 CB LEU A 55 108.979 0.596 -14.339 1.00 0.00 C ATOM 876 CG LEU A 55 108.868 -0.850 -13.856 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.200 -1.292 -13.245 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.767 -0.953 -12.796 1.00 0.00 C ATOM 0 H LEU A 55 109.508 0.523 -16.970 1.00 0.00 H new ATOM 0 HA LEU A 55 106.999 0.463 -15.276 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.998 0.801 -14.669 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.766 1.280 -13.517 1.00 0.00 H new ATOM 0 HG LEU A 55 108.624 -1.493 -14.701 1.00 0.00 H new ATOM 0 HD11 LEU A 55 110.118 -2.323 -12.901 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.986 -1.221 -13.996 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.445 -0.647 -12.401 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.688 -1.984 -12.452 1.00 0.00 H new ATOM 0 HD22 LEU A 55 108.012 -0.307 -11.953 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.816 -0.641 -13.228 1.00 0.00 H new ATOM 890 N ARG A 56 106.814 2.948 -15.247 1.00 0.00 N ATOM 891 CA ARG A 56 106.715 4.439 -15.259 1.00 0.00 C ATOM 892 C ARG A 56 105.991 4.922 -13.992 1.00 0.00 C ATOM 893 O ARG A 56 105.243 4.180 -13.381 1.00 0.00 O ATOM 894 CB ARG A 56 105.918 4.785 -16.531 1.00 0.00 C ATOM 895 CG ARG A 56 104.439 4.391 -16.372 1.00 0.00 C ATOM 896 CD ARG A 56 103.845 4.011 -17.732 1.00 0.00 C ATOM 897 NE ARG A 56 103.935 5.250 -18.574 1.00 0.00 N ATOM 898 CZ ARG A 56 103.827 5.199 -19.888 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.630 4.065 -20.520 1.00 0.00 N ATOM 900 NH2 ARG A 56 103.917 6.304 -20.577 1.00 0.00 N ATOM 0 H ARG A 56 106.016 2.467 -14.832 1.00 0.00 H new ATOM 0 HA ARG A 56 107.691 4.925 -15.266 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.995 5.853 -16.735 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.348 4.265 -17.388 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.350 3.553 -15.681 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.878 5.220 -15.941 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.398 3.188 -18.185 1.00 0.00 H new ATOM 0 HD3 ARG A 56 102.811 3.681 -17.630 1.00 0.00 H new ATOM 0 HE ARG A 56 104.083 6.152 -18.120 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.557 3.194 -19.994 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.550 4.055 -21.537 1.00 0.00 H new ATOM 0 HH21 ARG A 56 104.069 7.192 -20.099 1.00 0.00 H new ATOM 0 HH22 ARG A 56 103.835 6.279 -21.593 1.00 0.00 H new ATOM 914 N ILE A 57 106.211 6.151 -13.598 1.00 0.00 N ATOM 915 CA ILE A 57 105.478 6.709 -12.417 1.00 0.00 C ATOM 916 C ILE A 57 104.569 7.854 -12.875 1.00 0.00 C ATOM 917 O ILE A 57 104.999 8.754 -13.572 1.00 0.00 O ATOM 918 CB ILE A 57 106.563 7.218 -11.454 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.503 6.065 -11.070 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.903 7.768 -10.184 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.719 6.616 -10.317 1.00 0.00 C ATOM 0 H ILE A 57 106.867 6.794 -14.042 1.00 0.00 H new ATOM 0 HA ILE A 57 104.845 5.966 -11.932 1.00 0.00 H new ATOM 0 HB ILE A 57 107.134 8.005 -11.946 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.974 5.344 -10.447 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.828 5.535 -11.965 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.672 8.129 -9.501 1.00 0.00 H new ATOM 0 HG22 ILE A 57 105.237 8.590 -10.447 1.00 0.00 H new ATOM 0 HG23 ILE A 57 105.330 6.977 -9.700 1.00 0.00 H new ATOM 0 HD11 ILE A 57 109.383 5.795 -10.047 1.00 0.00 H new ATOM 0 HD12 ILE A 57 109.254 7.320 -10.955 1.00 0.00 H new ATOM 0 HD13 ILE A 57 108.387 7.126 -9.413 1.00 0.00 H new ATOM 933 N LEU A 58 103.316 7.822 -12.488 1.00 0.00 N ATOM 934 CA LEU A 58 102.350 8.858 -12.975 1.00 0.00 C ATOM 935 C LEU A 58 102.485 10.138 -12.127 1.00 0.00 C ATOM 936 O LEU A 58 102.301 10.086 -10.926 1.00 0.00 O ATOM 937 CB LEU A 58 100.954 8.243 -12.792 1.00 0.00 C ATOM 938 CG LEU A 58 100.838 6.938 -13.590 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.592 6.172 -13.139 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.730 7.247 -15.085 1.00 0.00 C ATOM 0 H LEU A 58 102.921 7.125 -11.857 1.00 0.00 H new ATOM 0 HA LEU A 58 102.534 9.131 -14.014 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.771 8.048 -11.735 1.00 0.00 H new ATOM 0 HB3 LEU A 58 100.192 8.949 -13.123 1.00 0.00 H new ATOM 0 HG LEU A 58 101.726 6.332 -13.412 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.510 5.245 -13.706 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.671 5.942 -12.077 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.706 6.783 -13.313 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.648 6.315 -15.644 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.846 7.858 -15.267 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.619 7.788 -15.410 1.00 0.00 H new ATOM 952 N PRO A 59 102.803 11.255 -12.767 1.00 0.00 N ATOM 953 CA PRO A 59 102.973 12.534 -12.019 1.00 0.00 C ATOM 954 C PRO A 59 101.663 12.940 -11.329 1.00 0.00 C ATOM 955 O PRO A 59 100.589 12.789 -11.883 1.00 0.00 O ATOM 956 CB PRO A 59 103.361 13.556 -13.094 1.00 0.00 C ATOM 957 CG PRO A 59 103.763 12.752 -14.289 1.00 0.00 C ATOM 958 CD PRO A 59 103.035 11.441 -14.208 1.00 0.00 C ATOM 0 HA PRO A 59 103.721 12.457 -11.230 1.00 0.00 H new ATOM 0 HB2 PRO A 59 102.525 14.215 -13.328 1.00 0.00 H new ATOM 0 HB3 PRO A 59 104.180 14.190 -12.755 1.00 0.00 H new ATOM 0 HG2 PRO A 59 103.508 13.277 -15.209 1.00 0.00 H new ATOM 0 HG3 PRO A 59 104.841 12.593 -14.301 1.00 0.00 H new ATOM 0 HD2 PRO A 59 102.098 11.469 -14.763 1.00 0.00 H new ATOM 0 HD3 PRO A 59 103.628 10.628 -14.626 1.00 0.00 H new ATOM 966 N LYS A 60 101.752 13.453 -10.126 1.00 0.00 N ATOM 967 CA LYS A 60 100.525 13.896 -9.396 1.00 0.00 C ATOM 968 C LYS A 60 100.287 15.392 -9.627 1.00 0.00 C ATOM 969 O LYS A 60 99.267 15.790 -10.157 1.00 0.00 O ATOM 970 CB LYS A 60 100.819 13.619 -7.919 1.00 0.00 C ATOM 971 CG LYS A 60 99.553 13.848 -7.090 1.00 0.00 C ATOM 972 CD LYS A 60 99.866 13.626 -5.609 1.00 0.00 C ATOM 973 CE LYS A 60 98.580 13.748 -4.789 1.00 0.00 C ATOM 974 NZ LYS A 60 98.368 15.213 -4.623 1.00 0.00 N ATOM 0 H LYS A 60 102.626 13.584 -9.617 1.00 0.00 H new ATOM 0 HA LYS A 60 99.630 13.375 -9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 60 101.167 12.594 -7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 60 101.618 14.272 -7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 60 99.181 14.861 -7.246 1.00 0.00 H new ATOM 0 HG3 LYS A 60 98.766 13.166 -7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 60 100.309 12.641 -5.464 1.00 0.00 H new ATOM 0 HD3 LYS A 60 100.598 14.358 -5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 60 97.739 13.283 -5.303 1.00 0.00 H new ATOM 0 HE3 LYS A 60 98.678 13.251 -3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 98.517 15.475 -3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 99.042 15.731 -5.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 97.397 15.457 -4.903 1.00 0.00 H new ATOM 988 N ASN A 61 101.226 16.216 -9.228 1.00 0.00 N ATOM 989 CA ASN A 61 101.072 17.690 -9.419 1.00 0.00 C ATOM 990 C ASN A 61 102.411 18.312 -9.827 1.00 0.00 C ATOM 991 O ASN A 61 102.532 18.904 -10.885 1.00 0.00 O ATOM 992 CB ASN A 61 100.624 18.220 -8.056 1.00 0.00 C ATOM 993 CG ASN A 61 100.172 19.674 -8.196 1.00 0.00 C ATOM 994 OD1 ASN A 61 100.838 20.578 -7.731 1.00 0.00 O ATOM 995 ND2 ASN A 61 99.058 19.941 -8.821 1.00 0.00 N ATOM 0 H ASN A 61 102.095 15.929 -8.777 1.00 0.00 H new ATOM 0 HA ASN A 61 100.357 17.934 -10.205 1.00 0.00 H new ATOM 0 HB2 ASN A 61 99.808 17.610 -7.668 1.00 0.00 H new ATOM 0 HB3 ASN A 61 101.443 18.150 -7.340 1.00 0.00 H new ATOM 0 HD21 ASN A 61 98.747 20.908 -8.919 1.00 0.00 H new ATOM 0 HD22 ASN A 61 98.498 19.183 -9.212 1.00 0.00 H new ATOM 1002 N GLU A 62 103.416 18.180 -8.993 1.00 0.00 N ATOM 1003 CA GLU A 62 104.764 18.732 -9.332 1.00 0.00 C ATOM 1004 C GLU A 62 105.807 17.612 -9.334 1.00 0.00 C ATOM 1005 O GLU A 62 105.667 16.624 -8.636 1.00 0.00 O ATOM 1006 CB GLU A 62 105.069 19.745 -8.226 1.00 0.00 C ATOM 1007 CG GLU A 62 104.104 20.931 -8.336 1.00 0.00 C ATOM 1008 CD GLU A 62 104.480 22.003 -7.307 1.00 0.00 C ATOM 1009 OE1 GLU A 62 104.883 21.637 -6.213 1.00 0.00 O ATOM 1010 OE2 GLU A 62 104.358 23.172 -7.631 1.00 0.00 O ATOM 0 H GLU A 62 103.359 17.711 -8.089 1.00 0.00 H new ATOM 0 HA GLU A 62 104.785 19.190 -10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 62 104.971 19.272 -7.249 1.00 0.00 H new ATOM 0 HB3 GLU A 62 106.099 20.092 -8.310 1.00 0.00 H new ATOM 0 HG2 GLU A 62 104.141 21.350 -9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 62 103.081 20.596 -8.168 1.00 0.00 H new ATOM 1017 N ILE A 63 106.849 17.760 -10.116 1.00 0.00 N ATOM 1018 CA ILE A 63 107.911 16.708 -10.172 1.00 0.00 C ATOM 1019 C ILE A 63 109.288 17.356 -10.399 1.00 0.00 C ATOM 1020 O ILE A 63 110.013 16.996 -11.308 1.00 0.00 O ATOM 1021 CB ILE A 63 107.504 15.795 -11.345 1.00 0.00 C ATOM 1022 CG1 ILE A 63 108.479 14.617 -11.441 1.00 0.00 C ATOM 1023 CG2 ILE A 63 107.520 16.577 -12.665 1.00 0.00 C ATOM 1024 CD1 ILE A 63 107.797 13.444 -12.149 1.00 0.00 C ATOM 0 H ILE A 63 107.010 18.567 -10.719 1.00 0.00 H new ATOM 0 HA ILE A 63 107.995 16.142 -9.245 1.00 0.00 H new ATOM 0 HB ILE A 63 106.494 15.426 -11.166 1.00 0.00 H new ATOM 0 HG12 ILE A 63 109.373 14.915 -11.988 1.00 0.00 H new ATOM 0 HG13 ILE A 63 108.801 14.316 -10.444 1.00 0.00 H new ATOM 0 HG21 ILE A 63 107.230 15.917 -13.483 1.00 0.00 H new ATOM 0 HG22 ILE A 63 106.818 17.409 -12.604 1.00 0.00 H new ATOM 0 HG23 ILE A 63 108.523 16.962 -12.848 1.00 0.00 H new ATOM 0 HD11 ILE A 63 108.491 12.607 -12.217 1.00 0.00 H new ATOM 0 HD12 ILE A 63 106.916 13.140 -11.584 1.00 0.00 H new ATOM 0 HD13 ILE A 63 107.497 13.749 -13.152 1.00 0.00 H new ATOM 1036 N MET A 64 109.645 18.308 -9.571 1.00 0.00 N ATOM 1037 CA MET A 64 110.973 18.982 -9.715 1.00 0.00 C ATOM 1038 C MET A 64 111.863 18.664 -8.502 1.00 0.00 C ATOM 1039 O MET A 64 111.360 18.303 -7.456 1.00 0.00 O ATOM 1040 CB MET A 64 110.654 20.476 -9.769 1.00 0.00 C ATOM 1041 CG MET A 64 110.263 20.865 -11.196 1.00 0.00 C ATOM 1042 SD MET A 64 109.771 22.607 -11.232 1.00 0.00 S ATOM 1043 CE MET A 64 111.435 23.315 -11.165 1.00 0.00 C ATOM 0 H MET A 64 109.071 18.648 -8.799 1.00 0.00 H new ATOM 0 HA MET A 64 111.513 18.648 -10.601 1.00 0.00 H new ATOM 0 HB2 MET A 64 109.841 20.710 -9.082 1.00 0.00 H new ATOM 0 HB3 MET A 64 111.520 21.055 -9.447 1.00 0.00 H new ATOM 0 HG2 MET A 64 111.101 20.699 -11.873 1.00 0.00 H new ATOM 0 HG3 MET A 64 109.443 20.237 -11.544 1.00 0.00 H new ATOM 0 HE1 MET A 64 111.676 23.581 -10.136 1.00 0.00 H new ATOM 0 HE2 MET A 64 112.157 22.584 -11.529 1.00 0.00 H new ATOM 0 HE3 MET A 64 111.476 24.207 -11.789 1.00 0.00 H new ATOM 1053 N PRO A 65 113.164 18.809 -8.678 1.00 0.00 N ATOM 1054 CA PRO A 65 114.115 18.520 -7.569 1.00 0.00 C ATOM 1055 C PRO A 65 113.930 19.527 -6.426 1.00 0.00 C ATOM 1056 O PRO A 65 114.111 19.200 -5.268 1.00 0.00 O ATOM 1057 CB PRO A 65 115.495 18.671 -8.214 1.00 0.00 C ATOM 1058 CG PRO A 65 115.273 19.500 -9.437 1.00 0.00 C ATOM 1059 CD PRO A 65 113.863 19.245 -9.897 1.00 0.00 C ATOM 0 HA PRO A 65 113.967 17.533 -7.131 1.00 0.00 H new ATOM 0 HB2 PRO A 65 116.196 19.155 -7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 65 115.918 17.699 -8.469 1.00 0.00 H new ATOM 0 HG2 PRO A 65 115.421 20.557 -9.217 1.00 0.00 H new ATOM 0 HG3 PRO A 65 115.986 19.234 -10.217 1.00 0.00 H new ATOM 0 HD2 PRO A 65 113.411 20.144 -10.316 1.00 0.00 H new ATOM 0 HD3 PRO A 65 113.828 18.480 -10.672 1.00 0.00 H new ATOM 1067 N LYS A 66 113.571 20.747 -6.750 1.00 0.00 N ATOM 1068 CA LYS A 66 113.370 21.784 -5.692 1.00 0.00 C ATOM 1069 C LYS A 66 111.891 22.171 -5.605 1.00 0.00 C ATOM 1070 O LYS A 66 111.284 22.555 -6.589 1.00 0.00 O ATOM 1071 CB LYS A 66 114.210 22.979 -6.146 1.00 0.00 C ATOM 1072 CG LYS A 66 114.277 24.015 -5.022 1.00 0.00 C ATOM 1073 CD LYS A 66 115.237 23.529 -3.934 1.00 0.00 C ATOM 1074 CE LYS A 66 115.364 24.600 -2.849 1.00 0.00 C ATOM 1075 NZ LYS A 66 116.362 25.569 -3.380 1.00 0.00 N ATOM 0 H LYS A 66 113.409 21.068 -7.704 1.00 0.00 H new ATOM 0 HA LYS A 66 113.664 21.429 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 66 115.215 22.650 -6.412 1.00 0.00 H new ATOM 0 HB3 LYS A 66 113.774 23.425 -7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 66 114.614 24.974 -5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 66 113.284 24.175 -4.601 1.00 0.00 H new ATOM 0 HD2 LYS A 66 114.871 22.599 -3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 66 116.215 23.316 -4.366 1.00 0.00 H new ATOM 0 HE2 LYS A 66 114.406 25.084 -2.658 1.00 0.00 H new ATOM 0 HE3 LYS A 66 115.696 24.168 -1.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 117.236 25.510 -2.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 116.572 25.342 -4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 115.976 26.533 -3.319 1.00 0.00 H new ATOM 1089 N ASN A 67 111.309 22.069 -4.435 1.00 0.00 N ATOM 1090 CA ASN A 67 109.867 22.430 -4.267 1.00 0.00 C ATOM 1091 C ASN A 67 109.718 23.549 -3.233 1.00 0.00 C ATOM 1092 O ASN A 67 110.494 23.647 -2.299 1.00 0.00 O ATOM 1093 CB ASN A 67 109.191 21.149 -3.772 1.00 0.00 C ATOM 1094 CG ASN A 67 109.221 20.092 -4.879 1.00 0.00 C ATOM 1095 OD1 ASN A 67 109.065 20.409 -6.042 1.00 0.00 O ATOM 1096 ND2 ASN A 67 109.416 18.841 -4.565 1.00 0.00 N ATOM 0 H ASN A 67 111.774 21.750 -3.585 1.00 0.00 H new ATOM 0 HA ASN A 67 109.423 22.793 -5.194 1.00 0.00 H new ATOM 0 HB2 ASN A 67 109.702 20.776 -2.885 1.00 0.00 H new ATOM 0 HB3 ASN A 67 108.161 21.358 -3.482 1.00 0.00 H new ATOM 0 HD21 ASN A 67 109.438 18.129 -5.295 1.00 0.00 H new ATOM 0 HD22 ASN A 67 109.547 18.575 -3.589 1.00 0.00 H new ATOM 1103 N GLY A 68 108.726 24.391 -3.395 1.00 0.00 N ATOM 1104 CA GLY A 68 108.512 25.508 -2.426 1.00 0.00 C ATOM 1105 C GLY A 68 109.513 26.629 -2.708 1.00 0.00 C ATOM 1106 O GLY A 68 110.157 27.136 -1.807 1.00 0.00 O ATOM 0 H GLY A 68 108.053 24.351 -4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 68 107.493 25.886 -2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 68 108.634 25.146 -1.405 1.00 0.00 H new ATOM 1110 N THR A 69 109.648 27.018 -3.955 1.00 0.00 N ATOM 1111 CA THR A 69 110.614 28.109 -4.312 1.00 0.00 C ATOM 1112 C THR A 69 110.180 29.434 -3.674 1.00 0.00 C ATOM 1113 O THR A 69 110.998 30.192 -3.184 1.00 0.00 O ATOM 1114 CB THR A 69 110.568 28.210 -5.840 1.00 0.00 C ATOM 1115 OG1 THR A 69 110.749 26.918 -6.402 1.00 0.00 O ATOM 1116 CG2 THR A 69 111.680 29.140 -6.328 1.00 0.00 C ATOM 0 H THR A 69 109.130 26.627 -4.742 1.00 0.00 H new ATOM 0 HA THR A 69 111.620 27.896 -3.951 1.00 0.00 H new ATOM 0 HB THR A 69 109.603 28.611 -6.149 1.00 0.00 H new ATOM 0 HG1 THR A 69 110.718 26.979 -7.380 1.00 0.00 H new ATOM 0 HG21 THR A 69 111.645 29.210 -7.415 1.00 0.00 H new ATOM 0 HG22 THR A 69 111.541 30.131 -5.896 1.00 0.00 H new ATOM 0 HG23 THR A 69 112.647 28.743 -6.021 1.00 0.00 H new ATOM 1124 N LYS A 70 108.899 29.715 -3.679 1.00 0.00 N ATOM 1125 CA LYS A 70 108.396 30.982 -3.060 1.00 0.00 C ATOM 1126 C LYS A 70 107.134 30.708 -2.231 1.00 0.00 C ATOM 1127 O LYS A 70 106.258 31.546 -2.127 1.00 0.00 O ATOM 1128 CB LYS A 70 108.087 31.919 -4.240 1.00 0.00 C ATOM 1129 CG LYS A 70 107.042 31.288 -5.172 1.00 0.00 C ATOM 1130 CD LYS A 70 106.805 32.208 -6.372 1.00 0.00 C ATOM 1131 CE LYS A 70 107.966 32.070 -7.359 1.00 0.00 C ATOM 1132 NZ LYS A 70 107.635 30.870 -8.177 1.00 0.00 N ATOM 0 H LYS A 70 108.178 29.119 -4.086 1.00 0.00 H new ATOM 0 HA LYS A 70 109.125 31.423 -2.380 1.00 0.00 H new ATOM 0 HB2 LYS A 70 107.719 32.874 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS A 70 109.001 32.125 -4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 70 107.385 30.311 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 70 106.108 31.128 -4.633 1.00 0.00 H new ATOM 0 HD2 LYS A 70 105.866 31.950 -6.861 1.00 0.00 H new ATOM 0 HD3 LYS A 70 106.718 33.242 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 70 108.062 32.959 -7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 70 108.915 31.943 -6.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 108.508 30.353 -8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 106.995 30.250 -7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 107.170 31.168 -9.058 1.00 0.00 H new ATOM 1146 N SER A 71 107.043 29.540 -1.640 1.00 0.00 N ATOM 1147 CA SER A 71 105.846 29.201 -0.812 1.00 0.00 C ATOM 1148 C SER A 71 106.252 28.293 0.361 1.00 0.00 C ATOM 1149 O SER A 71 107.315 27.705 0.336 1.00 0.00 O ATOM 1150 CB SER A 71 104.905 28.461 -1.762 1.00 0.00 C ATOM 1151 OG SER A 71 104.164 29.407 -2.520 1.00 0.00 O ATOM 0 H SER A 71 107.749 28.806 -1.697 1.00 0.00 H new ATOM 0 HA SER A 71 105.377 30.086 -0.381 1.00 0.00 H new ATOM 0 HB2 SER A 71 105.476 27.813 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 71 104.228 27.821 -1.196 1.00 0.00 H new ATOM 0 HG SER A 71 104.587 30.288 -2.447 1.00 0.00 H new ATOM 1157 N PRO A 72 105.390 28.206 1.360 1.00 0.00 N ATOM 1158 CA PRO A 72 105.679 27.346 2.542 1.00 0.00 C ATOM 1159 C PRO A 72 105.800 25.874 2.124 1.00 0.00 C ATOM 1160 O PRO A 72 105.192 25.444 1.160 1.00 0.00 O ATOM 1161 CB PRO A 72 104.471 27.552 3.464 1.00 0.00 C ATOM 1162 CG PRO A 72 103.771 28.772 2.951 1.00 0.00 C ATOM 1163 CD PRO A 72 104.092 28.885 1.486 1.00 0.00 C ATOM 0 HA PRO A 72 106.621 27.604 3.026 1.00 0.00 H new ATOM 0 HB2 PRO A 72 103.811 26.685 3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 72 104.787 27.688 4.498 1.00 0.00 H new ATOM 0 HG2 PRO A 72 102.695 28.691 3.104 1.00 0.00 H new ATOM 0 HG3 PRO A 72 104.103 29.661 3.488 1.00 0.00 H new ATOM 0 HD2 PRO A 72 103.329 28.408 0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 72 104.152 29.926 1.168 1.00 0.00 H new ATOM 1171 N SER A 73 106.583 25.107 2.843 1.00 0.00 N ATOM 1172 CA SER A 73 106.753 23.658 2.494 1.00 0.00 C ATOM 1173 C SER A 73 105.453 22.895 2.758 1.00 0.00 C ATOM 1174 O SER A 73 104.655 23.284 3.591 1.00 0.00 O ATOM 1175 CB SER A 73 107.869 23.147 3.408 1.00 0.00 C ATOM 1176 OG SER A 73 109.047 23.909 3.184 1.00 0.00 O ATOM 0 H SER A 73 107.112 25.420 3.657 1.00 0.00 H new ATOM 0 HA SER A 73 106.998 23.518 1.441 1.00 0.00 H new ATOM 0 HB2 SER A 73 107.564 23.226 4.452 1.00 0.00 H new ATOM 0 HB3 SER A 73 108.062 22.092 3.211 1.00 0.00 H new ATOM 0 HG SER A 73 109.763 23.585 3.770 1.00 0.00 H new ATOM 1182 N THR A 74 105.237 21.810 2.053 1.00 0.00 N ATOM 1183 CA THR A 74 103.989 21.011 2.248 1.00 0.00 C ATOM 1184 C THR A 74 104.339 19.549 2.546 1.00 0.00 C ATOM 1185 O THR A 74 105.247 18.989 1.960 1.00 0.00 O ATOM 1186 CB THR A 74 103.235 21.124 0.922 1.00 0.00 C ATOM 1187 OG1 THR A 74 103.130 22.492 0.556 1.00 0.00 O ATOM 1188 CG2 THR A 74 101.835 20.526 1.074 1.00 0.00 C ATOM 0 H THR A 74 105.876 21.443 1.348 1.00 0.00 H new ATOM 0 HA THR A 74 103.393 21.372 3.087 1.00 0.00 H new ATOM 0 HB THR A 74 103.777 20.580 0.148 1.00 0.00 H new ATOM 0 HG1 THR A 74 102.649 22.567 -0.294 1.00 0.00 H new ATOM 0 HG21 THR A 74 101.300 20.608 0.128 1.00 0.00 H new ATOM 0 HG22 THR A 74 101.916 19.476 1.355 1.00 0.00 H new ATOM 0 HG23 THR A 74 101.290 21.068 1.847 1.00 0.00 H new ATOM 1196 N ASN A 75 103.622 18.932 3.454 1.00 0.00 N ATOM 1197 CA ASN A 75 103.891 17.500 3.791 1.00 0.00 C ATOM 1198 C ASN A 75 102.831 16.600 3.147 1.00 0.00 C ATOM 1199 O ASN A 75 101.703 17.010 2.941 1.00 0.00 O ATOM 1200 CB ASN A 75 103.804 17.426 5.316 1.00 0.00 C ATOM 1201 CG ASN A 75 104.956 18.221 5.938 1.00 0.00 C ATOM 1202 OD1 ASN A 75 106.053 18.233 5.416 1.00 0.00 O ATOM 1203 ND2 ASN A 75 104.750 18.888 7.040 1.00 0.00 N ATOM 0 H ASN A 75 102.859 19.361 3.978 1.00 0.00 H new ATOM 0 HA ASN A 75 104.861 17.164 3.424 1.00 0.00 H new ATOM 0 HB2 ASN A 75 102.848 17.826 5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 75 103.848 16.387 5.642 1.00 0.00 H new ATOM 0 HD21 ASN A 75 105.510 19.420 7.464 1.00 0.00 H new ATOM 0 HD22 ASN A 75 103.829 18.878 7.478 1.00 0.00 H new ATOM 1210 N SER A 76 103.189 15.379 2.832 1.00 0.00 N ATOM 1211 CA SER A 76 102.214 14.446 2.191 1.00 0.00 C ATOM 1212 C SER A 76 101.680 13.448 3.224 1.00 0.00 C ATOM 1213 O SER A 76 102.428 12.903 4.015 1.00 0.00 O ATOM 1214 CB SER A 76 103.012 13.720 1.109 1.00 0.00 C ATOM 1215 OG SER A 76 102.140 12.875 0.370 1.00 0.00 O ATOM 0 H SER A 76 104.118 14.989 2.992 1.00 0.00 H new ATOM 0 HA SER A 76 101.352 14.970 1.779 1.00 0.00 H new ATOM 0 HB2 SER A 76 103.487 14.442 0.445 1.00 0.00 H new ATOM 0 HB3 SER A 76 103.810 13.132 1.562 1.00 0.00 H new ATOM 0 HG SER A 76 102.648 12.409 -0.326 1.00 0.00 H new ATOM 1221 N THR A 77 100.391 13.208 3.217 1.00 0.00 N ATOM 1222 CA THR A 77 99.791 12.248 4.194 1.00 0.00 C ATOM 1223 C THR A 77 98.636 11.475 3.543 1.00 0.00 C ATOM 1224 O THR A 77 98.185 11.813 2.465 1.00 0.00 O ATOM 1225 CB THR A 77 99.293 13.114 5.364 1.00 0.00 C ATOM 1226 OG1 THR A 77 98.746 12.272 6.369 1.00 0.00 O ATOM 1227 CG2 THR A 77 98.218 14.104 4.889 1.00 0.00 C ATOM 0 H THR A 77 99.727 13.638 2.574 1.00 0.00 H new ATOM 0 HA THR A 77 100.510 11.501 4.532 1.00 0.00 H new ATOM 0 HB THR A 77 100.134 13.679 5.764 1.00 0.00 H new ATOM 0 HG1 THR A 77 98.429 12.819 7.117 1.00 0.00 H new ATOM 0 HG21 THR A 77 97.880 14.706 5.732 1.00 0.00 H new ATOM 0 HG22 THR A 77 98.637 14.756 4.122 1.00 0.00 H new ATOM 0 HG23 THR A 77 97.374 13.553 4.475 1.00 0.00 H new ATOM 1235 N LYS A 78 98.161 10.439 4.194 1.00 0.00 N ATOM 1236 CA LYS A 78 97.032 9.631 3.624 1.00 0.00 C ATOM 1237 C LYS A 78 95.772 10.494 3.475 1.00 0.00 C ATOM 1238 O LYS A 78 94.976 10.290 2.578 1.00 0.00 O ATOM 1239 CB LYS A 78 96.787 8.501 4.628 1.00 0.00 C ATOM 1240 CG LYS A 78 97.999 7.568 4.656 1.00 0.00 C ATOM 1241 CD LYS A 78 97.705 6.374 5.567 1.00 0.00 C ATOM 1242 CE LYS A 78 98.955 5.497 5.680 1.00 0.00 C ATOM 1243 NZ LYS A 78 98.581 4.417 6.636 1.00 0.00 N ATOM 0 H LYS A 78 98.507 10.117 5.098 1.00 0.00 H new ATOM 0 HA LYS A 78 97.274 9.248 2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 78 96.611 8.915 5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 78 95.892 7.943 4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 78 98.228 7.222 3.648 1.00 0.00 H new ATOM 0 HG3 LYS A 78 98.877 8.105 5.015 1.00 0.00 H new ATOM 0 HD2 LYS A 78 97.402 6.722 6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 78 96.875 5.793 5.166 1.00 0.00 H new ATOM 0 HE2 LYS A 78 99.238 5.086 4.711 1.00 0.00 H new ATOM 0 HE3 LYS A 78 99.808 6.070 6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 99.388 3.774 6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 98.323 4.838 7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 97.771 3.885 6.259 1.00 0.00 H new ATOM 1257 N LEU A 79 95.592 11.453 4.351 1.00 0.00 N ATOM 1258 CA LEU A 79 94.386 12.337 4.271 1.00 0.00 C ATOM 1259 C LEU A 79 94.663 13.526 3.346 1.00 0.00 C ATOM 1260 O LEU A 79 95.775 14.015 3.269 1.00 0.00 O ATOM 1261 CB LEU A 79 94.136 12.820 5.704 1.00 0.00 C ATOM 1262 CG LEU A 79 93.786 11.627 6.600 1.00 0.00 C ATOM 1263 CD1 LEU A 79 93.798 12.070 8.064 1.00 0.00 C ATOM 1264 CD2 LEU A 79 92.392 11.108 6.239 1.00 0.00 C ATOM 0 H LEU A 79 96.229 11.662 5.119 1.00 0.00 H new ATOM 0 HA LEU A 79 93.521 11.811 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 79 95.022 13.326 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 79 93.323 13.546 5.716 1.00 0.00 H new ATOM 0 HG LEU A 79 94.519 10.834 6.451 1.00 0.00 H new ATOM 0 HD11 LEU A 79 93.549 11.222 8.703 1.00 0.00 H new ATOM 0 HD12 LEU A 79 94.789 12.441 8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 79 93.064 12.862 8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 79 92.143 10.259 6.876 1.00 0.00 H new ATOM 0 HD22 LEU A 79 91.659 11.901 6.388 1.00 0.00 H new ATOM 0 HD23 LEU A 79 92.380 10.794 5.195 1.00 0.00 H new ATOM 1276 N LYS A 80 93.656 13.991 2.646 1.00 0.00 N ATOM 1277 CA LYS A 80 93.851 15.140 1.708 1.00 0.00 C ATOM 1278 C LYS A 80 93.601 16.465 2.434 1.00 0.00 C ATOM 1279 O LYS A 80 92.956 16.503 3.466 1.00 0.00 O ATOM 1280 CB LYS A 80 92.818 14.931 0.598 1.00 0.00 C ATOM 1281 CG LYS A 80 93.101 15.900 -0.552 1.00 0.00 C ATOM 1282 CD LYS A 80 92.037 15.730 -1.638 1.00 0.00 C ATOM 1283 CE LYS A 80 92.406 16.585 -2.853 1.00 0.00 C ATOM 1284 NZ LYS A 80 91.682 15.960 -3.995 1.00 0.00 N ATOM 0 H LYS A 80 92.706 13.623 2.685 1.00 0.00 H new ATOM 0 HA LYS A 80 94.866 15.181 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 80 92.857 13.903 0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 80 91.813 15.095 0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 80 93.100 16.926 -0.185 1.00 0.00 H new ATOM 0 HG3 LYS A 80 94.091 15.710 -0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 80 91.962 14.682 -1.927 1.00 0.00 H new ATOM 0 HD3 LYS A 80 91.060 16.026 -1.255 1.00 0.00 H new ATOM 0 HE2 LYS A 80 92.102 17.622 -2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 80 93.483 16.588 -3.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 91.884 16.490 -4.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 91.996 14.975 -4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 90.659 15.978 -3.809 1.00 0.00 H new ATOM 1298 N SER A 81 94.107 17.551 1.897 1.00 0.00 N ATOM 1299 CA SER A 81 93.915 18.890 2.553 1.00 0.00 C ATOM 1300 C SER A 81 92.425 19.244 2.633 1.00 0.00 C ATOM 1301 O SER A 81 91.991 19.922 3.546 1.00 0.00 O ATOM 1302 CB SER A 81 94.652 19.889 1.659 1.00 0.00 C ATOM 1303 OG SER A 81 96.003 19.474 1.505 1.00 0.00 O ATOM 0 H SER A 81 94.646 17.570 1.031 1.00 0.00 H new ATOM 0 HA SER A 81 94.297 18.897 3.574 1.00 0.00 H new ATOM 0 HB2 SER A 81 94.165 19.951 0.686 1.00 0.00 H new ATOM 0 HB3 SER A 81 94.614 20.886 2.099 1.00 0.00 H new ATOM 0 HG SER A 81 96.478 20.111 0.931 1.00 0.00 H new ATOM 1309 N ALA A 82 91.642 18.789 1.683 1.00 0.00 N ATOM 1310 CA ALA A 82 90.170 19.082 1.702 1.00 0.00 C ATOM 1311 C ALA A 82 89.513 18.446 2.933 1.00 0.00 C ATOM 1312 O ALA A 82 88.548 18.964 3.466 1.00 0.00 O ATOM 1313 CB ALA A 82 89.613 18.460 0.419 1.00 0.00 C ATOM 0 H ALA A 82 91.958 18.226 0.893 1.00 0.00 H new ATOM 0 HA ALA A 82 89.972 20.153 1.753 1.00 0.00 H new ATOM 0 HB1 ALA A 82 88.539 18.636 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 82 90.098 18.913 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 82 89.805 17.387 0.422 1.00 0.00 H new ATOM 1319 N GLU A 83 90.031 17.329 3.385 1.00 0.00 N ATOM 1320 CA GLU A 83 89.468 16.670 4.603 1.00 0.00 C ATOM 1321 C GLU A 83 90.283 17.063 5.838 1.00 0.00 C ATOM 1322 O GLU A 83 91.274 17.764 5.737 1.00 0.00 O ATOM 1323 CB GLU A 83 89.588 15.168 4.337 1.00 0.00 C ATOM 1324 CG GLU A 83 88.663 14.774 3.181 1.00 0.00 C ATOM 1325 CD GLU A 83 88.696 13.255 2.982 1.00 0.00 C ATOM 1326 OE1 GLU A 83 89.759 12.676 3.136 1.00 0.00 O ATOM 1327 OE2 GLU A 83 87.654 12.697 2.679 1.00 0.00 O ATOM 0 H GLU A 83 90.822 16.845 2.960 1.00 0.00 H new ATOM 0 HA GLU A 83 88.437 16.967 4.793 1.00 0.00 H new ATOM 0 HB2 GLU A 83 90.619 14.913 4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 83 89.324 14.608 5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 83 87.644 15.100 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 83 88.976 15.276 2.266 1.00 0.00 H new ATOM 1334 N THR A 84 89.873 16.616 7.000 1.00 0.00 N ATOM 1335 CA THR A 84 90.610 16.977 8.254 1.00 0.00 C ATOM 1336 C THR A 84 91.980 16.293 8.275 1.00 0.00 C ATOM 1337 O THR A 84 92.154 15.218 7.730 1.00 0.00 O ATOM 1338 CB THR A 84 89.740 16.463 9.405 1.00 0.00 C ATOM 1339 OG1 THR A 84 89.471 15.080 9.213 1.00 0.00 O ATOM 1340 CG2 THR A 84 88.423 17.241 9.441 1.00 0.00 C ATOM 0 H THR A 84 89.059 16.016 7.136 1.00 0.00 H new ATOM 0 HA THR A 84 90.783 18.051 8.329 1.00 0.00 H new ATOM 0 HB THR A 84 90.267 16.604 10.349 1.00 0.00 H new ATOM 0 HG1 THR A 84 88.916 14.749 9.950 1.00 0.00 H new ATOM 0 HG21 THR A 84 87.806 16.874 10.261 1.00 0.00 H new ATOM 0 HG22 THR A 84 88.630 18.301 9.590 1.00 0.00 H new ATOM 0 HG23 THR A 84 87.893 17.104 8.498 1.00 0.00 H new ATOM 1348 N TYR A 85 92.952 16.913 8.900 1.00 0.00 N ATOM 1349 CA TYR A 85 94.322 16.316 8.952 1.00 0.00 C ATOM 1350 C TYR A 85 94.474 15.448 10.204 1.00 0.00 C ATOM 1351 O TYR A 85 94.711 14.256 10.115 1.00 0.00 O ATOM 1352 CB TYR A 85 95.275 17.511 9.008 1.00 0.00 C ATOM 1353 CG TYR A 85 96.733 17.120 8.952 1.00 0.00 C ATOM 1354 CD1 TYR A 85 97.359 16.900 7.701 1.00 0.00 C ATOM 1355 CD2 TYR A 85 97.474 16.974 10.151 1.00 0.00 C ATOM 1356 CE1 TYR A 85 98.727 16.533 7.648 1.00 0.00 C ATOM 1357 CE2 TYR A 85 98.841 16.607 10.098 1.00 0.00 C ATOM 1358 CZ TYR A 85 99.467 16.387 8.847 1.00 0.00 C ATOM 1359 OH TYR A 85 100.799 16.030 8.795 1.00 0.00 O ATOM 0 H TYR A 85 92.854 17.809 9.377 1.00 0.00 H new ATOM 0 HA TYR A 85 94.525 15.674 8.095 1.00 0.00 H new ATOM 0 HB2 TYR A 85 95.054 18.181 8.177 1.00 0.00 H new ATOM 0 HB3 TYR A 85 95.091 18.070 9.926 1.00 0.00 H new ATOM 0 HD1 TYR A 85 96.794 17.012 6.787 1.00 0.00 H new ATOM 0 HD2 TYR A 85 96.997 17.143 11.105 1.00 0.00 H new ATOM 0 HE1 TYR A 85 99.205 16.365 6.694 1.00 0.00 H new ATOM 0 HE2 TYR A 85 99.406 16.495 11.012 1.00 0.00 H new ATOM 0 HH TYR A 85 101.158 15.974 9.705 1.00 0.00 H new ATOM 1369 N SER A 86 94.341 16.038 11.367 1.00 0.00 N ATOM 1370 CA SER A 86 94.467 15.255 12.633 1.00 0.00 C ATOM 1371 C SER A 86 93.604 15.882 13.732 1.00 0.00 C ATOM 1372 O SER A 86 93.642 17.079 13.952 1.00 0.00 O ATOM 1373 CB SER A 86 95.948 15.338 13.002 1.00 0.00 C ATOM 1374 OG SER A 86 96.194 14.524 14.142 1.00 0.00 O ATOM 0 H SER A 86 94.150 17.032 11.493 1.00 0.00 H new ATOM 0 HA SER A 86 94.132 14.224 12.517 1.00 0.00 H new ATOM 0 HB2 SER A 86 96.562 15.007 12.165 1.00 0.00 H new ATOM 0 HB3 SER A 86 96.225 16.371 13.212 1.00 0.00 H new ATOM 0 HG SER A 86 97.143 14.573 14.381 1.00 0.00 H new ATOM 1380 N SER A 87 92.828 15.080 14.419 1.00 0.00 N ATOM 1381 CA SER A 87 91.965 15.613 15.518 1.00 0.00 C ATOM 1382 C SER A 87 92.123 14.758 16.778 1.00 0.00 C ATOM 1383 O SER A 87 92.322 13.559 16.701 1.00 0.00 O ATOM 1384 CB SER A 87 90.539 15.518 14.981 1.00 0.00 C ATOM 1385 OG SER A 87 90.435 16.278 13.785 1.00 0.00 O ATOM 0 H SER A 87 92.755 14.074 14.265 1.00 0.00 H new ATOM 0 HA SER A 87 92.230 16.634 15.793 1.00 0.00 H new ATOM 0 HB2 SER A 87 90.280 14.477 14.787 1.00 0.00 H new ATOM 0 HB3 SER A 87 89.833 15.889 15.724 1.00 0.00 H new ATOM 0 HG SER A 87 89.521 16.217 13.437 1.00 0.00 H new ATOM 1391 N LYS A 88 92.035 15.368 17.935 1.00 0.00 N ATOM 1392 CA LYS A 88 92.154 14.598 19.211 1.00 0.00 C ATOM 1393 C LYS A 88 91.301 15.252 20.305 1.00 0.00 C ATOM 1394 O LYS A 88 91.639 15.210 21.474 1.00 0.00 O ATOM 1395 CB LYS A 88 93.638 14.663 19.575 1.00 0.00 C ATOM 1396 CG LYS A 88 93.965 13.568 20.591 1.00 0.00 C ATOM 1397 CD LYS A 88 95.441 13.662 20.985 1.00 0.00 C ATOM 1398 CE LYS A 88 95.816 12.461 21.856 1.00 0.00 C ATOM 1399 NZ LYS A 88 97.280 12.278 21.649 1.00 0.00 N ATOM 0 H LYS A 88 91.885 16.370 18.050 1.00 0.00 H new ATOM 0 HA LYS A 88 91.805 13.571 19.109 1.00 0.00 H new ATOM 0 HB2 LYS A 88 94.248 14.537 18.681 1.00 0.00 H new ATOM 0 HB3 LYS A 88 93.879 15.642 19.990 1.00 0.00 H new ATOM 0 HG2 LYS A 88 93.334 13.676 21.474 1.00 0.00 H new ATOM 0 HG3 LYS A 88 93.753 12.587 20.166 1.00 0.00 H new ATOM 0 HD2 LYS A 88 96.066 13.686 20.092 1.00 0.00 H new ATOM 0 HD3 LYS A 88 95.625 14.589 21.528 1.00 0.00 H new ATOM 0 HE2 LYS A 88 95.586 12.647 22.905 1.00 0.00 H new ATOM 0 HE3 LYS A 88 95.261 11.570 21.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 97.612 11.471 22.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 97.468 12.096 20.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 97.783 13.139 21.945 1.00 0.00 H new ATOM 1413 N ASN A 89 90.197 15.855 19.930 1.00 0.00 N ATOM 1414 CA ASN A 89 89.314 16.518 20.937 1.00 0.00 C ATOM 1415 C ASN A 89 87.857 16.483 20.464 1.00 0.00 C ATOM 1416 O ASN A 89 86.964 16.136 21.214 1.00 0.00 O ATOM 1417 CB ASN A 89 89.816 17.962 21.014 1.00 0.00 C ATOM 1418 CG ASN A 89 91.193 17.990 21.683 1.00 0.00 C ATOM 1419 OD1 ASN A 89 91.382 17.414 22.736 1.00 0.00 O ATOM 1420 ND2 ASN A 89 92.169 18.640 21.110 1.00 0.00 N ATOM 0 H ASN A 89 89.870 15.915 18.966 1.00 0.00 H new ATOM 0 HA ASN A 89 89.347 16.022 21.907 1.00 0.00 H new ATOM 0 HB2 ASN A 89 89.877 18.391 20.014 1.00 0.00 H new ATOM 0 HB3 ASN A 89 89.113 18.573 21.580 1.00 0.00 H new ATOM 0 HD21 ASN A 89 93.091 18.665 21.546 1.00 0.00 H new ATOM 0 HD22 ASN A 89 92.010 19.123 20.226 1.00 0.00 H new ATOM 1427 N LYS A 90 87.618 16.841 19.225 1.00 0.00 N ATOM 1428 CA LYS A 90 86.225 16.829 18.686 1.00 0.00 C ATOM 1429 C LYS A 90 85.975 15.542 17.896 1.00 0.00 C ATOM 1430 O LYS A 90 86.901 14.847 17.519 1.00 0.00 O ATOM 1431 CB LYS A 90 86.142 18.048 17.765 1.00 0.00 C ATOM 1432 CG LYS A 90 86.247 19.328 18.598 1.00 0.00 C ATOM 1433 CD LYS A 90 86.054 20.544 17.690 1.00 0.00 C ATOM 1434 CE LYS A 90 86.279 21.824 18.498 1.00 0.00 C ATOM 1435 NZ LYS A 90 85.628 22.901 17.700 1.00 0.00 N ATOM 0 H LYS A 90 88.333 17.142 18.562 1.00 0.00 H new ATOM 0 HA LYS A 90 85.477 16.867 19.478 1.00 0.00 H new ATOM 0 HB2 LYS A 90 86.944 18.015 17.028 1.00 0.00 H new ATOM 0 HB3 LYS A 90 85.202 18.037 17.214 1.00 0.00 H new ATOM 0 HG2 LYS A 90 85.493 19.325 19.385 1.00 0.00 H new ATOM 0 HG3 LYS A 90 87.219 19.377 19.088 1.00 0.00 H new ATOM 0 HD2 LYS A 90 86.752 20.501 16.854 1.00 0.00 H new ATOM 0 HD3 LYS A 90 85.049 20.540 17.267 1.00 0.00 H new ATOM 0 HE2 LYS A 90 85.837 21.747 19.492 1.00 0.00 H new ATOM 0 HE3 LYS A 90 87.342 22.022 18.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 85.740 23.812 18.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 86.073 22.955 16.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 84.616 22.689 17.591 1.00 0.00 H new ATOM 1449 N TRP A 91 84.728 15.223 17.643 1.00 0.00 N ATOM 1450 CA TRP A 91 84.403 13.981 16.876 1.00 0.00 C ATOM 1451 C TRP A 91 84.220 14.310 15.391 1.00 0.00 C ATOM 1452 O TRP A 91 83.686 15.346 15.040 1.00 0.00 O ATOM 1453 CB TRP A 91 83.093 13.474 17.478 1.00 0.00 C ATOM 1454 CG TRP A 91 82.676 12.134 16.958 1.00 0.00 C ATOM 1455 CD1 TRP A 91 81.748 11.929 15.994 1.00 0.00 C ATOM 1456 CD2 TRP A 91 83.156 10.816 17.354 1.00 0.00 C ATOM 1457 NE1 TRP A 91 81.622 10.568 15.769 1.00 0.00 N ATOM 1458 CE2 TRP A 91 82.465 9.834 16.579 1.00 0.00 C ATOM 1459 CE3 TRP A 91 84.115 10.370 18.305 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 82.717 8.456 16.739 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 84.373 8.984 18.470 1.00 0.00 C ATOM 1462 CH2 TRP A 91 83.675 8.028 17.688 1.00 0.00 C ATOM 0 H TRP A 91 83.920 15.772 17.936 1.00 0.00 H new ATOM 0 HA TRP A 91 85.196 13.236 16.941 1.00 0.00 H new ATOM 0 HB2 TRP A 91 83.198 13.418 18.561 1.00 0.00 H new ATOM 0 HB3 TRP A 91 82.304 14.197 17.271 1.00 0.00 H new ATOM 0 HD1 TRP A 91 81.195 12.703 15.482 1.00 0.00 H new ATOM 0 HE1 TRP A 91 80.984 10.158 15.087 1.00 0.00 H new ATOM 0 HE3 TRP A 91 84.650 11.091 18.905 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 82.183 7.732 16.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 85.104 8.656 19.194 1.00 0.00 H new ATOM 0 HH2 TRP A 91 83.875 6.975 17.817 1.00 0.00 H new ATOM 1473 N SER A 92 84.662 13.433 14.522 1.00 0.00 N ATOM 1474 CA SER A 92 84.533 13.691 13.051 1.00 0.00 C ATOM 1475 C SER A 92 83.058 13.659 12.634 1.00 0.00 C ATOM 1476 O SER A 92 82.238 13.033 13.280 1.00 0.00 O ATOM 1477 CB SER A 92 85.305 12.560 12.368 1.00 0.00 C ATOM 1478 OG SER A 92 86.652 12.570 12.823 1.00 0.00 O ATOM 0 H SER A 92 85.107 12.549 14.767 1.00 0.00 H new ATOM 0 HA SER A 92 84.923 14.670 12.775 1.00 0.00 H new ATOM 0 HB2 SER A 92 84.840 11.600 12.592 1.00 0.00 H new ATOM 0 HB3 SER A 92 85.274 12.684 11.286 1.00 0.00 H new ATOM 0 HG SER A 92 87.149 11.846 12.389 1.00 0.00 H new ATOM 1484 N MET A 93 82.723 14.330 11.559 1.00 0.00 N ATOM 1485 CA MET A 93 81.303 14.355 11.090 1.00 0.00 C ATOM 1486 C MET A 93 81.202 13.774 9.677 1.00 0.00 C ATOM 1487 O MET A 93 82.133 13.857 8.897 1.00 0.00 O ATOM 1488 CB MET A 93 80.911 15.834 11.089 1.00 0.00 C ATOM 1489 CG MET A 93 80.873 16.354 12.529 1.00 0.00 C ATOM 1490 SD MET A 93 80.241 18.051 12.542 1.00 0.00 S ATOM 1491 CE MET A 93 81.566 18.794 11.558 1.00 0.00 C ATOM 0 H MET A 93 83.375 14.864 10.984 1.00 0.00 H new ATOM 0 HA MET A 93 80.648 13.760 11.727 1.00 0.00 H new ATOM 0 HB2 MET A 93 81.626 16.410 10.502 1.00 0.00 H new ATOM 0 HB3 MET A 93 79.936 15.962 10.619 1.00 0.00 H new ATOM 0 HG2 MET A 93 80.238 15.714 13.142 1.00 0.00 H new ATOM 0 HG3 MET A 93 81.872 16.323 12.964 1.00 0.00 H new ATOM 0 HE1 MET A 93 81.655 19.851 11.807 1.00 0.00 H new ATOM 0 HE2 MET A 93 82.507 18.290 11.776 1.00 0.00 H new ATOM 0 HE3 MET A 93 81.335 18.689 10.498 1.00 0.00 H new ATOM 1501 N ASP A 94 80.077 13.187 9.346 1.00 0.00 N ATOM 1502 CA ASP A 94 79.899 12.598 7.983 1.00 0.00 C ATOM 1503 C ASP A 94 79.233 13.615 7.051 1.00 0.00 C ATOM 1504 O ASP A 94 78.390 14.389 7.468 1.00 0.00 O ATOM 1505 CB ASP A 94 78.991 11.383 8.187 1.00 0.00 C ATOM 1506 CG ASP A 94 79.727 10.321 9.010 1.00 0.00 C ATOM 1507 OD1 ASP A 94 80.896 10.095 8.742 1.00 0.00 O ATOM 1508 OD2 ASP A 94 79.108 9.752 9.893 1.00 0.00 O ATOM 0 H ASP A 94 79.272 13.091 9.965 1.00 0.00 H new ATOM 0 HA ASP A 94 80.850 12.322 7.527 1.00 0.00 H new ATOM 0 HB2 ASP A 94 78.076 11.683 8.697 1.00 0.00 H new ATOM 0 HB3 ASP A 94 78.697 10.970 7.222 1.00 0.00 H new ATOM 1513 N CYS A 95 79.606 13.614 5.794 1.00 0.00 N ATOM 1514 CA CYS A 95 78.998 14.571 4.820 1.00 0.00 C ATOM 1515 C CYS A 95 78.424 13.809 3.621 1.00 0.00 C ATOM 1516 O CYS A 95 79.121 13.060 2.963 1.00 0.00 O ATOM 1517 CB CYS A 95 80.150 15.474 4.381 1.00 0.00 C ATOM 1518 SG CYS A 95 79.487 17.032 3.742 1.00 0.00 S ATOM 0 H CYS A 95 80.309 12.988 5.400 1.00 0.00 H new ATOM 0 HA CYS A 95 78.178 15.141 5.256 1.00 0.00 H new ATOM 0 HB2 CYS A 95 80.815 15.668 5.223 1.00 0.00 H new ATOM 0 HB3 CYS A 95 80.743 14.977 3.613 1.00 0.00 H new ATOM 0 HG CYS A 95 79.699 17.101 2.461 1.00 0.00 H new ATOM 1524 N ASP A 96 77.157 13.999 3.337 1.00 0.00 N ATOM 1525 CA ASP A 96 76.517 13.269 2.193 1.00 0.00 C ATOM 1526 C ASP A 96 77.120 13.727 0.861 1.00 0.00 C ATOM 1527 O ASP A 96 77.342 12.930 -0.032 1.00 0.00 O ATOM 1528 CB ASP A 96 75.029 13.633 2.257 1.00 0.00 C ATOM 1529 CG ASP A 96 74.412 13.058 3.535 1.00 0.00 C ATOM 1530 OD1 ASP A 96 73.640 13.762 4.164 1.00 0.00 O ATOM 1531 OD2 ASP A 96 74.718 11.922 3.861 1.00 0.00 O ATOM 0 H ASP A 96 76.537 14.628 3.848 1.00 0.00 H new ATOM 0 HA ASP A 96 76.675 12.193 2.262 1.00 0.00 H new ATOM 0 HB2 ASP A 96 74.909 14.716 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 96 74.511 13.240 1.382 1.00 0.00 H new ATOM 1536 N GLU A 97 77.385 15.004 0.726 1.00 0.00 N ATOM 1537 CA GLU A 97 77.959 15.530 -0.553 1.00 0.00 C ATOM 1538 C GLU A 97 79.289 16.239 -0.285 1.00 0.00 C ATOM 1539 O GLU A 97 79.477 16.849 0.752 1.00 0.00 O ATOM 1540 CB GLU A 97 76.919 16.524 -1.076 1.00 0.00 C ATOM 1541 CG GLU A 97 75.640 15.775 -1.460 1.00 0.00 C ATOM 1542 CD GLU A 97 74.633 16.759 -2.058 1.00 0.00 C ATOM 1543 OE1 GLU A 97 74.037 17.504 -1.298 1.00 0.00 O ATOM 1544 OE2 GLU A 97 74.474 16.751 -3.269 1.00 0.00 O ATOM 0 H GLU A 97 77.228 15.707 1.448 1.00 0.00 H new ATOM 0 HA GLU A 97 78.161 14.735 -1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 97 76.700 17.271 -0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 97 77.314 17.057 -1.941 1.00 0.00 H new ATOM 0 HG2 GLU A 97 75.868 14.989 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU A 97 75.213 15.289 -0.583 1.00 0.00 H new ATOM 1551 N GLU A 98 80.210 16.161 -1.215 1.00 0.00 N ATOM 1552 CA GLU A 98 81.533 16.835 -1.033 1.00 0.00 C ATOM 1553 C GLU A 98 81.701 17.952 -2.068 1.00 0.00 C ATOM 1554 O GLU A 98 81.407 17.774 -3.236 1.00 0.00 O ATOM 1555 CB GLU A 98 82.569 15.733 -1.259 1.00 0.00 C ATOM 1556 CG GLU A 98 83.954 16.237 -0.842 1.00 0.00 C ATOM 1557 CD GLU A 98 84.131 16.067 0.670 1.00 0.00 C ATOM 1558 OE1 GLU A 98 85.210 15.670 1.078 1.00 0.00 O ATOM 1559 OE2 GLU A 98 83.187 16.339 1.395 1.00 0.00 O ATOM 0 H GLU A 98 80.101 15.657 -2.095 1.00 0.00 H new ATOM 0 HA GLU A 98 81.634 17.295 -0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 98 82.304 14.847 -0.682 1.00 0.00 H new ATOM 0 HB3 GLU A 98 82.579 15.439 -2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 98 84.728 15.683 -1.373 1.00 0.00 H new ATOM 0 HG3 GLU A 98 84.068 17.286 -1.116 1.00 0.00 H new ATOM 1566 N PHE A 99 82.173 19.101 -1.644 1.00 0.00 N ATOM 1567 CA PHE A 99 82.358 20.241 -2.598 1.00 0.00 C ATOM 1568 C PHE A 99 83.578 19.996 -3.494 1.00 0.00 C ATOM 1569 O PHE A 99 83.609 20.411 -4.638 1.00 0.00 O ATOM 1570 CB PHE A 99 82.567 21.485 -1.722 1.00 0.00 C ATOM 1571 CG PHE A 99 83.766 21.398 -0.803 1.00 0.00 C ATOM 1572 CD1 PHE A 99 85.064 21.659 -1.306 1.00 0.00 C ATOM 1573 CD2 PHE A 99 83.592 21.059 0.562 1.00 0.00 C ATOM 1574 CE1 PHE A 99 86.187 21.583 -0.446 1.00 0.00 C ATOM 1575 CE2 PHE A 99 84.714 20.981 1.421 1.00 0.00 C ATOM 1576 CZ PHE A 99 86.011 21.243 0.918 1.00 0.00 C ATOM 0 H PHE A 99 82.438 19.298 -0.679 1.00 0.00 H new ATOM 0 HA PHE A 99 81.500 20.359 -3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 99 82.680 22.356 -2.367 1.00 0.00 H new ATOM 0 HB3 PHE A 99 81.673 21.647 -1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 99 85.198 21.916 -2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 99 82.603 20.860 0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 99 87.176 21.784 -0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 99 84.581 20.721 2.461 1.00 0.00 H new ATOM 0 HZ PHE A 99 86.867 21.184 1.574 1.00 0.00 H new ATOM 1586 N ASP A 100 84.580 19.324 -2.979 1.00 0.00 N ATOM 1587 CA ASP A 100 85.796 19.027 -3.800 1.00 0.00 C ATOM 1588 C ASP A 100 85.574 17.758 -4.626 1.00 0.00 C ATOM 1589 O ASP A 100 85.182 16.730 -4.104 1.00 0.00 O ATOM 1590 CB ASP A 100 86.926 18.819 -2.786 1.00 0.00 C ATOM 1591 CG ASP A 100 88.264 18.722 -3.523 1.00 0.00 C ATOM 1592 OD1 ASP A 100 88.693 17.611 -3.785 1.00 0.00 O ATOM 1593 OD2 ASP A 100 88.835 19.760 -3.811 1.00 0.00 O ATOM 0 H ASP A 100 84.608 18.968 -2.024 1.00 0.00 H new ATOM 0 HA ASP A 100 86.026 19.829 -4.501 1.00 0.00 H new ATOM 0 HB2 ASP A 100 86.949 19.646 -2.077 1.00 0.00 H new ATOM 0 HB3 ASP A 100 86.749 17.910 -2.210 1.00 0.00 H new ATOM 1598 N PHE A 101 85.822 17.825 -5.913 1.00 0.00 N ATOM 1599 CA PHE A 101 85.607 16.634 -6.792 1.00 0.00 C ATOM 1600 C PHE A 101 86.898 16.283 -7.538 1.00 0.00 C ATOM 1601 O PHE A 101 87.799 17.094 -7.651 1.00 0.00 O ATOM 1602 CB PHE A 101 84.509 17.055 -7.776 1.00 0.00 C ATOM 1603 CG PHE A 101 84.864 18.268 -8.609 1.00 0.00 C ATOM 1604 CD1 PHE A 101 85.462 18.100 -9.883 1.00 0.00 C ATOM 1605 CD2 PHE A 101 84.597 19.568 -8.117 1.00 0.00 C ATOM 1606 CE1 PHE A 101 85.793 19.235 -10.663 1.00 0.00 C ATOM 1607 CE2 PHE A 101 84.929 20.703 -8.898 1.00 0.00 C ATOM 1608 CZ PHE A 101 85.526 20.536 -10.171 1.00 0.00 C ATOM 0 H PHE A 101 86.165 18.657 -6.393 1.00 0.00 H new ATOM 0 HA PHE A 101 85.323 15.749 -6.223 1.00 0.00 H new ATOM 0 HB2 PHE A 101 84.292 16.220 -8.442 1.00 0.00 H new ATOM 0 HB3 PHE A 101 83.596 17.264 -7.219 1.00 0.00 H new ATOM 0 HD1 PHE A 101 85.665 17.108 -10.258 1.00 0.00 H new ATOM 0 HD2 PHE A 101 84.140 19.695 -7.147 1.00 0.00 H new ATOM 0 HE1 PHE A 101 86.249 19.108 -11.634 1.00 0.00 H new ATOM 0 HE2 PHE A 101 84.727 21.695 -8.522 1.00 0.00 H new ATOM 0 HZ PHE A 101 85.778 21.401 -10.767 1.00 0.00 H new ATOM 1618 N ALA A 102 86.991 15.077 -8.045 1.00 0.00 N ATOM 1619 CA ALA A 102 88.220 14.655 -8.783 1.00 0.00 C ATOM 1620 C ALA A 102 87.968 14.690 -10.293 1.00 0.00 C ATOM 1621 O ALA A 102 86.842 14.591 -10.744 1.00 0.00 O ATOM 1622 CB ALA A 102 88.488 13.224 -8.317 1.00 0.00 C ATOM 0 H ALA A 102 86.264 14.365 -7.978 1.00 0.00 H new ATOM 0 HA ALA A 102 89.067 15.313 -8.588 1.00 0.00 H new ATOM 0 HB1 ALA A 102 89.378 12.840 -8.815 1.00 0.00 H new ATOM 0 HB2 ALA A 102 88.644 13.216 -7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.633 12.594 -8.565 1.00 0.00 H new ATOM 1628 N ALA A 103 89.014 14.832 -11.074 1.00 0.00 N ATOM 1629 CA ALA A 103 88.847 14.888 -12.564 1.00 0.00 C ATOM 1630 C ALA A 103 88.333 13.546 -13.095 1.00 0.00 C ATOM 1631 O ALA A 103 87.594 13.497 -14.062 1.00 0.00 O ATOM 1632 CB ALA A 103 90.243 15.182 -13.120 1.00 0.00 C ATOM 0 H ALA A 103 89.976 14.912 -10.745 1.00 0.00 H new ATOM 0 HA ALA A 103 88.124 15.647 -12.862 1.00 0.00 H new ATOM 0 HB1 ALA A 103 90.197 15.237 -14.208 1.00 0.00 H new ATOM 0 HB2 ALA A 103 90.600 16.132 -12.723 1.00 0.00 H new ATOM 0 HB3 ALA A 103 90.927 14.386 -12.826 1.00 0.00 H new ATOM 1638 N ASN A 104 88.720 12.461 -12.469 1.00 0.00 N ATOM 1639 CA ASN A 104 88.255 11.116 -12.927 1.00 0.00 C ATOM 1640 C ASN A 104 87.167 10.585 -11.985 1.00 0.00 C ATOM 1641 O ASN A 104 87.454 9.944 -10.991 1.00 0.00 O ATOM 1642 CB ASN A 104 89.501 10.228 -12.871 1.00 0.00 C ATOM 1643 CG ASN A 104 89.196 8.877 -13.521 1.00 0.00 C ATOM 1644 OD1 ASN A 104 89.004 7.891 -12.838 1.00 0.00 O ATOM 1645 ND2 ASN A 104 89.145 8.789 -14.823 1.00 0.00 N ATOM 0 H ASN A 104 89.339 12.450 -11.659 1.00 0.00 H new ATOM 0 HA ASN A 104 87.821 11.144 -13.926 1.00 0.00 H new ATOM 0 HB2 ASN A 104 90.329 10.713 -13.387 1.00 0.00 H new ATOM 0 HB3 ASN A 104 89.811 10.084 -11.836 1.00 0.00 H new ATOM 0 HD21 ASN A 104 88.944 7.893 -15.266 1.00 0.00 H new ATOM 0 HD22 ASN A 104 89.306 9.617 -15.397 1.00 0.00 H new ATOM 1652 N LEU A 105 85.922 10.851 -12.298 1.00 0.00 N ATOM 1653 CA LEU A 105 84.802 10.352 -11.443 1.00 0.00 C ATOM 1654 C LEU A 105 83.529 10.196 -12.278 1.00 0.00 C ATOM 1655 O LEU A 105 83.026 11.152 -12.840 1.00 0.00 O ATOM 1656 CB LEU A 105 84.613 11.428 -10.371 1.00 0.00 C ATOM 1657 CG LEU A 105 83.646 10.920 -9.301 1.00 0.00 C ATOM 1658 CD1 LEU A 105 84.342 9.863 -8.442 1.00 0.00 C ATOM 1659 CD2 LEU A 105 83.210 12.088 -8.414 1.00 0.00 C ATOM 0 H LEU A 105 85.633 11.394 -13.112 1.00 0.00 H new ATOM 0 HA LEU A 105 85.017 9.376 -11.008 1.00 0.00 H new ATOM 0 HB2 LEU A 105 85.573 11.678 -9.919 1.00 0.00 H new ATOM 0 HB3 LEU A 105 84.225 12.341 -10.822 1.00 0.00 H new ATOM 0 HG LEU A 105 82.772 10.480 -9.782 1.00 0.00 H new ATOM 0 HD11 LEU A 105 83.652 9.502 -7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 105 84.655 9.030 -9.072 1.00 0.00 H new ATOM 0 HD13 LEU A 105 85.216 10.303 -7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 105 82.521 11.728 -7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 105 84.085 12.527 -7.935 1.00 0.00 H new ATOM 0 HD23 LEU A 105 82.714 12.843 -9.024 1.00 0.00 H new ATOM 1671 N GLU A 106 83.007 8.995 -12.363 1.00 0.00 N ATOM 1672 CA GLU A 106 81.758 8.766 -13.152 1.00 0.00 C ATOM 1673 C GLU A 106 80.849 7.768 -12.427 1.00 0.00 C ATOM 1674 O GLU A 106 81.131 6.586 -12.377 1.00 0.00 O ATOM 1675 CB GLU A 106 82.230 8.188 -14.487 1.00 0.00 C ATOM 1676 CG GLU A 106 83.014 9.250 -15.260 1.00 0.00 C ATOM 1677 CD GLU A 106 83.397 8.704 -16.636 1.00 0.00 C ATOM 1678 OE1 GLU A 106 82.771 9.101 -17.605 1.00 0.00 O ATOM 1679 OE2 GLU A 106 84.309 7.896 -16.698 1.00 0.00 O ATOM 0 H GLU A 106 83.394 8.163 -11.918 1.00 0.00 H new ATOM 0 HA GLU A 106 81.182 9.682 -13.286 1.00 0.00 H new ATOM 0 HB2 GLU A 106 82.857 7.313 -14.314 1.00 0.00 H new ATOM 0 HB3 GLU A 106 81.374 7.856 -15.074 1.00 0.00 H new ATOM 0 HG2 GLU A 106 82.412 10.152 -15.370 1.00 0.00 H new ATOM 0 HG3 GLU A 106 83.910 9.530 -14.706 1.00 0.00 H new ATOM 1686 N LYS A 107 79.757 8.243 -11.864 1.00 0.00 N ATOM 1687 CA LYS A 107 78.796 7.342 -11.133 1.00 0.00 C ATOM 1688 C LYS A 107 79.526 6.489 -10.085 1.00 0.00 C ATOM 1689 O LYS A 107 80.709 6.655 -9.854 1.00 0.00 O ATOM 1690 CB LYS A 107 78.169 6.448 -12.210 1.00 0.00 C ATOM 1691 CG LYS A 107 77.316 7.302 -13.151 1.00 0.00 C ATOM 1692 CD LYS A 107 76.601 6.396 -14.154 1.00 0.00 C ATOM 1693 CE LYS A 107 75.841 7.255 -15.167 1.00 0.00 C ATOM 1694 NZ LYS A 107 75.074 6.284 -15.996 1.00 0.00 N ATOM 0 H LYS A 107 79.487 9.227 -11.880 1.00 0.00 H new ATOM 0 HA LYS A 107 78.044 7.919 -10.594 1.00 0.00 H new ATOM 0 HB2 LYS A 107 78.950 5.937 -12.773 1.00 0.00 H new ATOM 0 HB3 LYS A 107 77.555 5.677 -11.745 1.00 0.00 H new ATOM 0 HG2 LYS A 107 76.587 7.875 -12.579 1.00 0.00 H new ATOM 0 HG3 LYS A 107 77.944 8.021 -13.677 1.00 0.00 H new ATOM 0 HD2 LYS A 107 77.324 5.763 -14.668 1.00 0.00 H new ATOM 0 HD3 LYS A 107 75.910 5.733 -13.633 1.00 0.00 H new ATOM 0 HE2 LYS A 107 75.176 7.959 -14.667 1.00 0.00 H new ATOM 0 HE3 LYS A 107 76.526 7.842 -15.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 74.526 6.798 -16.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 75.734 5.631 -16.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 74.426 5.744 -15.388 1.00 0.00 H new ATOM 1708 N PHE A 108 78.822 5.580 -9.455 1.00 0.00 N ATOM 1709 CA PHE A 108 79.462 4.697 -8.431 1.00 0.00 C ATOM 1710 C PHE A 108 79.361 3.230 -8.860 1.00 0.00 C ATOM 1711 O PHE A 108 78.418 2.835 -9.523 1.00 0.00 O ATOM 1712 CB PHE A 108 78.666 4.937 -7.148 1.00 0.00 C ATOM 1713 CG PHE A 108 78.756 6.356 -6.639 1.00 0.00 C ATOM 1714 CD1 PHE A 108 79.853 6.752 -5.837 1.00 0.00 C ATOM 1715 CD2 PHE A 108 77.743 7.290 -6.965 1.00 0.00 C ATOM 1716 CE1 PHE A 108 79.937 8.082 -5.359 1.00 0.00 C ATOM 1717 CE2 PHE A 108 77.827 8.621 -6.488 1.00 0.00 C ATOM 1718 CZ PHE A 108 78.925 9.017 -5.685 1.00 0.00 C ATOM 0 H PHE A 108 77.828 5.411 -9.607 1.00 0.00 H new ATOM 0 HA PHE A 108 80.522 4.917 -8.300 1.00 0.00 H new ATOM 0 HB2 PHE A 108 77.620 4.690 -7.327 1.00 0.00 H new ATOM 0 HB3 PHE A 108 79.026 4.259 -6.374 1.00 0.00 H new ATOM 0 HD1 PHE A 108 80.626 6.040 -5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 108 76.906 6.988 -7.577 1.00 0.00 H new ATOM 0 HE1 PHE A 108 80.773 8.383 -4.746 1.00 0.00 H new ATOM 0 HE2 PHE A 108 77.054 9.334 -6.736 1.00 0.00 H new ATOM 0 HZ PHE A 108 78.990 10.032 -5.322 1.00 0.00 H new ATOM 1728 N ASP A 109 80.324 2.425 -8.485 1.00 0.00 N ATOM 1729 CA ASP A 109 80.291 0.976 -8.858 1.00 0.00 C ATOM 1730 C ASP A 109 79.508 0.180 -7.812 1.00 0.00 C ATOM 1731 O ASP A 109 79.739 0.310 -6.623 1.00 0.00 O ATOM 1732 CB ASP A 109 81.755 0.531 -8.886 1.00 0.00 C ATOM 1733 CG ASP A 109 82.492 1.244 -10.024 1.00 0.00 C ATOM 1734 OD1 ASP A 109 81.923 1.352 -11.098 1.00 0.00 O ATOM 1735 OD2 ASP A 109 83.613 1.671 -9.800 1.00 0.00 O ATOM 0 H ASP A 109 81.134 2.710 -7.935 1.00 0.00 H new ATOM 0 HA ASP A 109 79.801 0.811 -9.818 1.00 0.00 H new ATOM 0 HB2 ASP A 109 82.232 0.758 -7.933 1.00 0.00 H new ATOM 0 HB3 ASP A 109 81.814 -0.549 -9.022 1.00 0.00 H new ATOM 1740 N LYS A 110 78.583 -0.641 -8.247 1.00 0.00 N ATOM 1741 CA LYS A 110 77.774 -1.451 -7.286 1.00 0.00 C ATOM 1742 C LYS A 110 78.226 -2.914 -7.313 1.00 0.00 C ATOM 1743 O LYS A 110 78.525 -3.459 -8.360 1.00 0.00 O ATOM 1744 CB LYS A 110 76.331 -1.327 -7.777 1.00 0.00 C ATOM 1745 CG LYS A 110 75.849 0.114 -7.599 1.00 0.00 C ATOM 1746 CD LYS A 110 74.371 0.211 -7.982 1.00 0.00 C ATOM 1747 CE LYS A 110 73.919 1.670 -7.909 1.00 0.00 C ATOM 1748 NZ LYS A 110 72.510 1.661 -8.394 1.00 0.00 N ATOM 0 H LYS A 110 78.354 -0.785 -9.230 1.00 0.00 H new ATOM 0 HA LYS A 110 77.886 -1.103 -6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 110 76.267 -1.615 -8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 110 75.687 -2.008 -7.220 1.00 0.00 H new ATOM 0 HG2 LYS A 110 75.989 0.430 -6.565 1.00 0.00 H new ATOM 0 HG3 LYS A 110 76.441 0.786 -8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 110 74.219 -0.178 -8.989 1.00 0.00 H new ATOM 0 HD3 LYS A 110 73.769 -0.401 -7.310 1.00 0.00 H new ATOM 0 HE2 LYS A 110 73.984 2.053 -6.890 1.00 0.00 H new ATOM 0 HE3 LYS A 110 74.546 2.309 -8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 72.130 2.629 -8.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 72.481 1.298 -9.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 71.935 1.050 -7.779 1.00 0.00 H new ATOM 1762 N LYS A 111 78.278 -3.548 -6.166 1.00 0.00 N ATOM 1763 CA LYS A 111 78.694 -4.983 -6.111 1.00 0.00 C ATOM 1764 C LYS A 111 77.459 -5.886 -6.048 1.00 0.00 C ATOM 1765 O LYS A 111 76.421 -5.495 -5.547 1.00 0.00 O ATOM 1766 CB LYS A 111 79.516 -5.110 -4.827 1.00 0.00 C ATOM 1767 CG LYS A 111 80.816 -4.315 -4.971 1.00 0.00 C ATOM 1768 CD LYS A 111 81.685 -4.526 -3.728 1.00 0.00 C ATOM 1769 CE LYS A 111 82.929 -3.640 -3.818 1.00 0.00 C ATOM 1770 NZ LYS A 111 82.484 -2.302 -3.341 1.00 0.00 N ATOM 0 H LYS A 111 78.049 -3.131 -5.264 1.00 0.00 H new ATOM 0 HA LYS A 111 79.265 -5.282 -6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 111 78.943 -4.739 -3.978 1.00 0.00 H new ATOM 0 HB3 LYS A 111 79.739 -6.158 -4.628 1.00 0.00 H new ATOM 0 HG2 LYS A 111 81.354 -4.636 -5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 111 80.594 -3.255 -5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 111 81.118 -4.284 -2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 111 81.976 -5.573 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 111 83.737 -4.031 -3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 111 83.305 -3.590 -4.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 82.890 -1.564 -3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 81.446 -2.248 -3.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 82.805 -2.158 -2.362 1.00 0.00 H new ATOM 1784 N GLN A 112 77.566 -7.091 -6.555 1.00 0.00 N ATOM 1785 CA GLN A 112 76.401 -8.027 -6.536 1.00 0.00 C ATOM 1786 C GLN A 112 76.484 -8.950 -5.317 1.00 0.00 C ATOM 1787 O GLN A 112 77.235 -9.909 -5.305 1.00 0.00 O ATOM 1788 CB GLN A 112 76.517 -8.833 -7.831 1.00 0.00 C ATOM 1789 CG GLN A 112 75.248 -9.665 -8.032 1.00 0.00 C ATOM 1790 CD GLN A 112 75.387 -10.512 -9.298 1.00 0.00 C ATOM 1791 OE1 GLN A 112 75.223 -10.017 -10.395 1.00 0.00 O ATOM 1792 NE2 GLN A 112 75.686 -11.778 -9.192 1.00 0.00 N ATOM 0 H GLN A 112 78.413 -7.466 -6.982 1.00 0.00 H new ATOM 0 HA GLN A 112 75.449 -7.500 -6.470 1.00 0.00 H new ATOM 0 HB2 GLN A 112 76.662 -8.162 -8.677 1.00 0.00 H new ATOM 0 HB3 GLN A 112 77.389 -9.485 -7.789 1.00 0.00 H new ATOM 0 HG2 GLN A 112 75.082 -10.308 -7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 112 74.380 -9.010 -8.113 1.00 0.00 H new ATOM 0 HE21 GLN A 112 75.824 -12.194 -8.271 1.00 0.00 H new ATOM 0 HE22 GLN A 112 75.782 -12.351 -10.030 1.00 0.00 H new ATOM 1801 N VAL A 113 75.716 -8.663 -4.294 1.00 0.00 N ATOM 1802 CA VAL A 113 75.729 -9.523 -3.066 1.00 0.00 C ATOM 1803 C VAL A 113 74.294 -9.773 -2.583 1.00 0.00 C ATOM 1804 O VAL A 113 73.373 -9.083 -2.976 1.00 0.00 O ATOM 1805 CB VAL A 113 76.533 -8.739 -2.015 1.00 0.00 C ATOM 1806 CG1 VAL A 113 77.977 -8.571 -2.493 1.00 0.00 C ATOM 1807 CG2 VAL A 113 75.912 -7.353 -1.789 1.00 0.00 C ATOM 0 H VAL A 113 75.078 -7.868 -4.255 1.00 0.00 H new ATOM 0 HA VAL A 113 76.175 -10.499 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 113 76.515 -9.295 -1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 113 78.545 -8.015 -1.747 1.00 0.00 H new ATOM 0 HG12 VAL A 113 78.429 -9.552 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 113 77.987 -8.026 -3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 113 76.493 -6.811 -1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 113 75.915 -6.796 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 113 74.886 -7.467 -1.438 1.00 0.00 H new ATOM 1817 N PHE A 114 74.107 -10.753 -1.733 1.00 0.00 N ATOM 1818 CA PHE A 114 72.737 -11.055 -1.217 1.00 0.00 C ATOM 1819 C PHE A 114 72.540 -10.419 0.163 1.00 0.00 C ATOM 1820 O PHE A 114 73.305 -10.657 1.079 1.00 0.00 O ATOM 1821 CB PHE A 114 72.678 -12.579 -1.118 1.00 0.00 C ATOM 1822 CG PHE A 114 71.322 -13.104 -0.706 1.00 0.00 C ATOM 1823 CD1 PHE A 114 71.051 -13.376 0.657 1.00 0.00 C ATOM 1824 CD2 PHE A 114 70.322 -13.325 -1.685 1.00 0.00 C ATOM 1825 CE1 PHE A 114 69.780 -13.867 1.042 1.00 0.00 C ATOM 1826 CE2 PHE A 114 69.052 -13.818 -1.300 1.00 0.00 C ATOM 1827 CZ PHE A 114 68.781 -14.088 0.064 1.00 0.00 C ATOM 0 H PHE A 114 74.846 -11.357 -1.374 1.00 0.00 H new ATOM 0 HA PHE A 114 71.955 -10.658 -1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 114 72.947 -13.009 -2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 114 73.424 -12.918 -0.399 1.00 0.00 H new ATOM 0 HD1 PHE A 114 71.814 -13.209 1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 114 70.528 -13.117 -2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 114 69.573 -14.073 2.082 1.00 0.00 H new ATOM 0 HE2 PHE A 114 68.290 -13.988 -2.046 1.00 0.00 H new ATOM 0 HZ PHE A 114 67.812 -14.463 0.358 1.00 0.00 H new ATOM 1837 N ALA A 115 71.512 -9.607 0.313 1.00 0.00 N ATOM 1838 CA ALA A 115 71.232 -8.933 1.629 1.00 0.00 C ATOM 1839 C ALA A 115 72.481 -8.211 2.160 1.00 0.00 C ATOM 1840 O ALA A 115 73.277 -8.782 2.883 1.00 0.00 O ATOM 1841 CB ALA A 115 70.810 -10.056 2.584 1.00 0.00 C ATOM 0 H ALA A 115 70.849 -9.381 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 115 70.458 -8.172 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 115 70.590 -9.636 3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 115 69.921 -10.551 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 115 71.619 -10.781 2.673 1.00 0.00 H new ATOM 1847 N GLU A 116 72.651 -6.962 1.801 1.00 0.00 N ATOM 1848 CA GLU A 116 73.833 -6.185 2.299 1.00 0.00 C ATOM 1849 C GLU A 116 73.681 -5.895 3.795 1.00 0.00 C ATOM 1850 O GLU A 116 74.648 -5.893 4.536 1.00 0.00 O ATOM 1851 CB GLU A 116 73.830 -4.878 1.499 1.00 0.00 C ATOM 1852 CG GLU A 116 74.130 -5.177 0.030 1.00 0.00 C ATOM 1853 CD GLU A 116 74.193 -3.866 -0.756 1.00 0.00 C ATOM 1854 OE1 GLU A 116 75.291 -3.449 -1.087 1.00 0.00 O ATOM 1855 OE2 GLU A 116 73.143 -3.301 -1.014 1.00 0.00 O ATOM 0 H GLU A 116 72.023 -6.445 1.185 1.00 0.00 H new ATOM 0 HA GLU A 116 74.765 -6.735 2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 116 72.862 -4.386 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 116 74.576 -4.192 1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 116 75.076 -5.711 -0.057 1.00 0.00 H new ATOM 0 HG3 GLU A 116 73.358 -5.825 -0.385 1.00 0.00 H new ATOM 1862 N PHE A 117 72.472 -5.652 4.241 1.00 0.00 N ATOM 1863 CA PHE A 117 72.244 -5.326 5.686 1.00 0.00 C ATOM 1864 C PHE A 117 72.547 -6.545 6.564 1.00 0.00 C ATOM 1865 O PHE A 117 73.120 -6.423 7.631 1.00 0.00 O ATOM 1866 CB PHE A 117 70.765 -4.948 5.791 1.00 0.00 C ATOM 1867 CG PHE A 117 70.360 -4.463 7.163 1.00 0.00 C ATOM 1868 CD1 PHE A 117 70.547 -3.105 7.517 1.00 0.00 C ATOM 1869 CD2 PHE A 117 69.794 -5.368 8.094 1.00 0.00 C ATOM 1870 CE1 PHE A 117 70.167 -2.651 8.804 1.00 0.00 C ATOM 1871 CE2 PHE A 117 69.415 -4.913 9.380 1.00 0.00 C ATOM 1872 CZ PHE A 117 69.601 -3.555 9.736 1.00 0.00 C ATOM 0 H PHE A 117 71.630 -5.665 3.665 1.00 0.00 H new ATOM 0 HA PHE A 117 72.894 -4.519 6.026 1.00 0.00 H new ATOM 0 HB2 PHE A 117 70.545 -4.170 5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 117 70.158 -5.814 5.527 1.00 0.00 H new ATOM 0 HD1 PHE A 117 70.979 -2.416 6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 117 69.652 -6.404 7.823 1.00 0.00 H new ATOM 0 HE1 PHE A 117 70.309 -1.615 9.075 1.00 0.00 H new ATOM 0 HE2 PHE A 117 68.983 -5.603 10.090 1.00 0.00 H new ATOM 0 HZ PHE A 117 69.312 -3.209 10.717 1.00 0.00 H new ATOM 1882 N ARG A 118 72.163 -7.725 6.117 1.00 0.00 N ATOM 1883 CA ARG A 118 72.388 -8.980 6.918 1.00 0.00 C ATOM 1884 C ARG A 118 71.827 -8.838 8.342 1.00 0.00 C ATOM 1885 O ARG A 118 71.277 -7.812 8.702 1.00 0.00 O ATOM 1886 CB ARG A 118 73.907 -9.185 6.959 1.00 0.00 C ATOM 1887 CG ARG A 118 74.427 -9.462 5.546 1.00 0.00 C ATOM 1888 CD ARG A 118 75.920 -9.801 5.608 1.00 0.00 C ATOM 1889 NE ARG A 118 75.998 -11.127 6.302 1.00 0.00 N ATOM 1890 CZ ARG A 118 77.132 -11.568 6.815 1.00 0.00 C ATOM 1891 NH1 ARG A 118 78.243 -10.872 6.735 1.00 0.00 N ATOM 1892 NH2 ARG A 118 77.149 -12.728 7.415 1.00 0.00 N ATOM 0 H ARG A 118 71.698 -7.873 5.221 1.00 0.00 H new ATOM 0 HA ARG A 118 71.877 -9.830 6.466 1.00 0.00 H new ATOM 0 HB2 ARG A 118 74.393 -8.299 7.369 1.00 0.00 H new ATOM 0 HB3 ARG A 118 74.154 -10.017 7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 118 73.874 -10.288 5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 118 74.267 -8.591 4.911 1.00 0.00 H new ATOM 0 HD2 ARG A 118 76.353 -9.854 4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 118 76.474 -9.038 6.155 1.00 0.00 H new ATOM 0 HE ARG A 118 75.158 -11.700 6.380 1.00 0.00 H new ATOM 0 HH11 ARG A 118 78.244 -9.966 6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 118 79.104 -11.238 7.141 1.00 0.00 H new ATOM 0 HH21 ARG A 118 76.294 -13.280 7.482 1.00 0.00 H new ATOM 0 HH22 ARG A 118 78.017 -13.082 7.816 1.00 0.00 H new ATOM 1906 N GLU A 119 71.966 -9.863 9.148 1.00 0.00 N ATOM 1907 CA GLU A 119 71.462 -9.791 10.557 1.00 0.00 C ATOM 1908 C GLU A 119 72.315 -8.813 11.372 1.00 0.00 C ATOM 1909 O GLU A 119 71.807 -8.064 12.184 1.00 0.00 O ATOM 1910 CB GLU A 119 71.598 -11.213 11.113 1.00 0.00 C ATOM 1911 CG GLU A 119 70.910 -11.298 12.478 1.00 0.00 C ATOM 1912 CD GLU A 119 71.164 -12.675 13.096 1.00 0.00 C ATOM 1913 OE1 GLU A 119 70.228 -13.241 13.636 1.00 0.00 O ATOM 1914 OE2 GLU A 119 72.291 -13.138 13.023 1.00 0.00 O ATOM 0 H GLU A 119 72.407 -10.747 8.892 1.00 0.00 H new ATOM 0 HA GLU A 119 70.432 -9.437 10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 119 71.150 -11.928 10.423 1.00 0.00 H new ATOM 0 HB3 GLU A 119 72.651 -11.478 11.208 1.00 0.00 H new ATOM 0 HG2 GLU A 119 71.289 -10.517 13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 119 69.839 -11.130 12.368 1.00 0.00 H new ATOM 1921 N LYS A 120 73.608 -8.821 11.155 1.00 0.00 N ATOM 1922 CA LYS A 120 74.510 -7.895 11.906 1.00 0.00 C ATOM 1923 C LYS A 120 75.566 -7.308 10.964 1.00 0.00 C ATOM 1924 O LYS A 120 76.208 -8.026 10.218 1.00 0.00 O ATOM 1925 CB LYS A 120 75.169 -8.768 12.977 1.00 0.00 C ATOM 1926 CG LYS A 120 75.953 -7.885 13.948 1.00 0.00 C ATOM 1927 CD LYS A 120 76.666 -8.766 14.976 1.00 0.00 C ATOM 1928 CE LYS A 120 77.324 -7.881 16.039 1.00 0.00 C ATOM 1929 NZ LYS A 120 78.115 -8.819 16.883 1.00 0.00 N ATOM 0 H LYS A 120 74.078 -9.432 10.487 1.00 0.00 H new ATOM 0 HA LYS A 120 73.971 -7.054 12.342 1.00 0.00 H new ATOM 0 HB2 LYS A 120 74.410 -9.334 13.517 1.00 0.00 H new ATOM 0 HB3 LYS A 120 75.835 -9.493 12.510 1.00 0.00 H new ATOM 0 HG2 LYS A 120 76.680 -7.283 13.403 1.00 0.00 H new ATOM 0 HG3 LYS A 120 75.279 -7.192 14.452 1.00 0.00 H new ATOM 0 HD2 LYS A 120 75.954 -9.446 15.444 1.00 0.00 H new ATOM 0 HD3 LYS A 120 77.419 -9.382 14.483 1.00 0.00 H new ATOM 0 HE2 LYS A 120 77.963 -7.125 15.583 1.00 0.00 H new ATOM 0 HE3 LYS A 120 76.577 -7.352 16.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 78.596 -8.287 17.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 77.479 -9.523 17.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 78.823 -9.303 16.294 1.00 0.00 H new ATOM 1943 N ASP A 121 75.746 -6.011 10.994 1.00 0.00 N ATOM 1944 CA ASP A 121 76.757 -5.364 10.104 1.00 0.00 C ATOM 1945 C ASP A 121 77.145 -3.988 10.651 1.00 0.00 C ATOM 1946 O ASP A 121 77.766 -3.235 9.921 1.00 0.00 O ATOM 1947 CB ASP A 121 76.060 -5.226 8.750 1.00 0.00 C ATOM 1948 CG ASP A 121 77.079 -4.804 7.689 1.00 0.00 C ATOM 1949 OD1 ASP A 121 77.162 -3.618 7.415 1.00 0.00 O ATOM 1950 OD2 ASP A 121 77.758 -5.674 7.171 1.00 0.00 O ATOM 1951 OXT ASP A 121 76.814 -3.713 11.793 1.00 0.00 O ATOM 0 H ASP A 121 75.233 -5.370 11.600 1.00 0.00 H new ATOM 0 HA ASP A 121 77.676 -5.946 10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 121 75.598 -6.173 8.469 1.00 0.00 H new ATOM 0 HB3 ASP A 121 75.260 -4.488 8.815 1.00 0.00 H new TER 1956 ASP A 121