USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 671 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 NoAdj-H: A 97 ASNHD21 : A 97 ASN ND2 : A 149 CACA :(H bumps) USER MOD Set 1.1: A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 124 MET CE :methyl 172:sc= 0 (180deg=-0.0333) USER MOD Set 2.1: A 94 LYS NZ :NH3+ -124:sc= 0.0182 (180deg=0) USER MOD Set 2.2: A 107 HIS : no HD1:sc= -2.49! K(o=-2.5!,f=-0.87) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.239 K(o=-0.24,f=-0.84) USER MOD Single : A 59 HIS : no HD1:sc= -2.62! K(o=-2.6!,f=0.049) USER MOD Single : A 60 HIS : no HE2:sc=-0.00704 X(o=-0.007,f=-0.35) USER MOD Single : A 61 HIS : no HD1:sc= -0.836 K(o=-0.84,f=-1.8) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.147 X(o=-0.15,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0194 X(o=-0.019,f=-0.11) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.227 K(o=-0.23,f=-0.74) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= -0.232 (180deg=-0.232) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.262 USER MOD Single : A 81 SER OG : rot -40:sc= -0.229! USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0.0146 USER MOD Single : A 110 THR OG1 : rot -11:sc= 0.0359 USER MOD Single : A 111 ASN : amide:sc= -2.34! C(o=-2.3!,f=-5!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 109:sc= 0.202 USER MOD Single : A 135 GLN : amide:sc= -0.755 K(o=-0.76,f=0.51) USER MOD Single : A 137 ASN : amide:sc= -3.75! C(o=-3.7!,f=-6.9!) USER MOD Single : A 138 TYR OH : rot 180:sc=-0.00209 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -136:sc= -2.59! (180deg=-5.94!) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 22.299 -3.035 20.442 1.00 0.00 N ATOM 2 CA GLY A 56 22.093 -4.344 21.124 1.00 0.00 C ATOM 3 C GLY A 56 20.763 -4.946 20.683 1.00 0.00 C ATOM 4 O GLY A 56 20.665 -5.535 19.606 1.00 0.00 O ATOM 0 HA2 GLY A 56 22.910 -5.024 20.882 1.00 0.00 H new ATOM 0 HA3 GLY A 56 22.101 -4.208 22.205 1.00 0.00 H new ATOM 8 N SER A 57 19.743 -4.793 21.519 1.00 0.00 N ATOM 9 CA SER A 57 18.423 -5.327 21.206 1.00 0.00 C ATOM 10 C SER A 57 17.857 -4.659 19.958 1.00 0.00 C ATOM 11 O SER A 57 18.520 -3.834 19.328 1.00 0.00 O ATOM 12 CB SER A 57 17.475 -5.101 22.382 1.00 0.00 C ATOM 13 OG SER A 57 17.950 -5.819 23.514 1.00 0.00 O ATOM 0 H SER A 57 19.803 -4.307 22.414 1.00 0.00 H new ATOM 0 HA SER A 57 18.520 -6.397 21.020 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.410 -4.038 22.613 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.470 -5.433 22.122 1.00 0.00 H new ATOM 0 HG SER A 57 17.344 -5.674 24.271 1.00 0.00 H new ATOM 19 N HIS A 58 16.627 -5.020 19.604 1.00 0.00 N ATOM 20 CA HIS A 58 15.983 -4.447 18.429 1.00 0.00 C ATOM 21 C HIS A 58 15.905 -2.928 18.549 1.00 0.00 C ATOM 22 O HIS A 58 16.173 -2.206 17.588 1.00 0.00 O ATOM 23 CB HIS A 58 14.572 -5.020 18.277 1.00 0.00 C ATOM 24 CG HIS A 58 13.958 -4.510 17.002 1.00 0.00 C ATOM 25 ND1 HIS A 58 13.327 -3.279 16.926 1.00 0.00 N ATOM 26 CD2 HIS A 58 13.871 -5.054 15.744 1.00 0.00 C ATOM 27 CE1 HIS A 58 12.892 -3.123 15.662 1.00 0.00 C ATOM 28 NE2 HIS A 58 13.198 -4.176 14.900 1.00 0.00 N ATOM 0 H HIS A 58 16.061 -5.701 20.110 1.00 0.00 H new ATOM 0 HA HIS A 58 16.577 -4.702 17.551 1.00 0.00 H new ATOM 0 HB2 HIS A 58 14.610 -6.109 18.265 1.00 0.00 H new ATOM 0 HB3 HIS A 58 13.957 -4.732 19.130 1.00 0.00 H new ATOM 0 HD2 HIS A 58 14.265 -6.017 15.454 1.00 0.00 H new ATOM 0 HE1 HIS A 58 12.360 -2.252 15.307 1.00 0.00 H new ATOM 0 HE2 HIS A 58 12.984 -4.308 13.911 1.00 0.00 H new ATOM 36 N HIS A 59 15.537 -2.450 19.733 1.00 0.00 N ATOM 37 CA HIS A 59 15.427 -1.014 19.965 1.00 0.00 C ATOM 38 C HIS A 59 16.785 -0.423 20.322 1.00 0.00 C ATOM 39 O HIS A 59 17.519 -0.978 21.140 1.00 0.00 O ATOM 40 CB HIS A 59 14.436 -0.743 21.098 1.00 0.00 C ATOM 41 CG HIS A 59 14.789 -1.594 22.287 1.00 0.00 C ATOM 42 ND1 HIS A 59 15.356 -1.064 23.435 1.00 0.00 N ATOM 43 CD2 HIS A 59 14.661 -2.942 22.520 1.00 0.00 C ATOM 44 CE1 HIS A 59 15.547 -2.077 24.299 1.00 0.00 C ATOM 45 NE2 HIS A 59 15.140 -3.244 23.792 1.00 0.00 N ATOM 0 H HIS A 59 15.311 -3.030 20.541 1.00 0.00 H new ATOM 0 HA HIS A 59 15.069 -0.544 19.049 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.460 0.312 21.372 1.00 0.00 H new ATOM 0 HB3 HIS A 59 13.421 -0.963 20.768 1.00 0.00 H new ATOM 0 HD2 HIS A 59 14.251 -3.658 21.823 1.00 0.00 H new ATOM 0 HE1 HIS A 59 15.977 -1.961 25.283 1.00 0.00 H new ATOM 0 HE2 HIS A 59 15.173 -4.160 24.240 1.00 0.00 H new ATOM 53 N HIS A 60 17.116 0.706 19.704 1.00 0.00 N ATOM 54 CA HIS A 60 18.391 1.364 19.963 1.00 0.00 C ATOM 55 C HIS A 60 18.264 2.873 19.779 1.00 0.00 C ATOM 56 O HIS A 60 17.317 3.354 19.158 1.00 0.00 O ATOM 57 CB HIS A 60 19.462 0.821 19.014 1.00 0.00 C ATOM 58 CG HIS A 60 19.039 1.064 17.590 1.00 0.00 C ATOM 59 ND1 HIS A 60 18.262 0.158 16.886 1.00 0.00 N ATOM 60 CD2 HIS A 60 19.278 2.105 16.728 1.00 0.00 C ATOM 61 CE1 HIS A 60 18.062 0.667 15.656 1.00 0.00 C ATOM 62 NE2 HIS A 60 18.661 1.852 15.507 1.00 0.00 N ATOM 0 H HIS A 60 16.523 1.182 19.024 1.00 0.00 H new ATOM 0 HA HIS A 60 18.681 1.159 20.994 1.00 0.00 H new ATOM 0 HB2 HIS A 60 20.417 1.308 19.209 1.00 0.00 H new ATOM 0 HB3 HIS A 60 19.608 -0.246 19.185 1.00 0.00 H new ATOM 0 HD1 HIS A 60 17.907 -0.732 17.236 1.00 0.00 H new ATOM 0 HD2 HIS A 60 19.857 2.986 16.962 1.00 0.00 H new ATOM 0 HE1 HIS A 60 17.487 0.177 14.884 1.00 0.00 H new ATOM 70 N HIS A 61 19.225 3.614 20.323 1.00 0.00 N ATOM 71 CA HIS A 61 19.211 5.068 20.210 1.00 0.00 C ATOM 72 C HIS A 61 20.537 5.654 20.681 1.00 0.00 C ATOM 73 O HIS A 61 20.570 6.508 21.567 1.00 0.00 O ATOM 74 CB HIS A 61 18.069 5.645 21.048 1.00 0.00 C ATOM 75 CG HIS A 61 17.903 7.106 20.730 1.00 0.00 C ATOM 76 ND1 HIS A 61 18.688 7.752 19.787 1.00 0.00 N ATOM 77 CD2 HIS A 61 17.048 8.061 21.222 1.00 0.00 C ATOM 78 CE1 HIS A 61 18.293 9.036 19.741 1.00 0.00 C ATOM 79 NE2 HIS A 61 17.296 9.279 20.596 1.00 0.00 N ATOM 0 H HIS A 61 20.017 3.235 20.842 1.00 0.00 H new ATOM 0 HA HIS A 61 19.062 5.332 19.163 1.00 0.00 H new ATOM 0 HB2 HIS A 61 17.143 5.109 20.839 1.00 0.00 H new ATOM 0 HB3 HIS A 61 18.280 5.514 22.109 1.00 0.00 H new ATOM 0 HD2 HIS A 61 16.297 7.893 21.980 1.00 0.00 H new ATOM 0 HE1 HIS A 61 18.729 9.781 19.092 1.00 0.00 H new ATOM 0 HE2 HIS A 61 16.819 10.166 20.756 1.00 0.00 H new ATOM 87 N HIS A 62 21.629 5.189 20.082 1.00 0.00 N ATOM 88 CA HIS A 62 22.955 5.673 20.451 1.00 0.00 C ATOM 89 C HIS A 62 23.219 7.043 19.836 1.00 0.00 C ATOM 90 O HIS A 62 22.689 8.053 20.297 1.00 0.00 O ATOM 91 CB HIS A 62 24.022 4.683 19.977 1.00 0.00 C ATOM 92 CG HIS A 62 23.813 3.357 20.653 1.00 0.00 C ATOM 93 ND1 HIS A 62 24.225 3.116 21.953 1.00 0.00 N ATOM 94 CD2 HIS A 62 23.235 2.188 20.221 1.00 0.00 C ATOM 95 CE1 HIS A 62 23.893 1.847 22.257 1.00 0.00 C ATOM 96 NE2 HIS A 62 23.287 1.237 21.235 1.00 0.00 N ATOM 0 H HIS A 62 21.623 4.484 19.345 1.00 0.00 H new ATOM 0 HA HIS A 62 22.998 5.763 21.536 1.00 0.00 H new ATOM 0 HB2 HIS A 62 23.967 4.564 18.895 1.00 0.00 H new ATOM 0 HB3 HIS A 62 25.016 5.067 20.206 1.00 0.00 H new ATOM 0 HD2 HIS A 62 22.805 2.031 19.243 1.00 0.00 H new ATOM 0 HE1 HIS A 62 24.092 1.380 23.210 1.00 0.00 H new ATOM 0 HE2 HIS A 62 22.937 0.279 21.205 1.00 0.00 H new ATOM 104 N HIS A 63 24.038 7.068 18.789 1.00 0.00 N ATOM 105 CA HIS A 63 24.366 8.320 18.119 1.00 0.00 C ATOM 106 C HIS A 63 23.126 8.915 17.459 1.00 0.00 C ATOM 107 O HIS A 63 22.928 10.130 17.469 1.00 0.00 O ATOM 108 CB HIS A 63 25.444 8.079 17.060 1.00 0.00 C ATOM 109 CG HIS A 63 26.729 7.682 17.734 1.00 0.00 C ATOM 110 ND1 HIS A 63 27.858 7.319 17.017 1.00 0.00 N ATOM 111 CD2 HIS A 63 27.078 7.585 19.058 1.00 0.00 C ATOM 112 CE1 HIS A 63 28.825 7.024 17.905 1.00 0.00 C ATOM 113 NE2 HIS A 63 28.402 7.169 19.164 1.00 0.00 N ATOM 0 H HIS A 63 24.483 6.242 18.389 1.00 0.00 H new ATOM 0 HA HIS A 63 24.740 9.022 18.864 1.00 0.00 H new ATOM 0 HB2 HIS A 63 25.125 7.296 16.372 1.00 0.00 H new ATOM 0 HB3 HIS A 63 25.595 8.981 16.468 1.00 0.00 H new ATOM 0 HD2 HIS A 63 26.425 7.799 19.891 1.00 0.00 H new ATOM 0 HE1 HIS A 63 29.821 6.709 17.633 1.00 0.00 H new ATOM 0 HE2 HIS A 63 28.935 7.009 20.019 1.00 0.00 H new ATOM 121 N GLY A 64 22.295 8.051 16.886 1.00 0.00 N ATOM 122 CA GLY A 64 21.077 8.503 16.224 1.00 0.00 C ATOM 123 C GLY A 64 20.504 7.408 15.331 1.00 0.00 C ATOM 124 O GLY A 64 20.625 6.220 15.634 1.00 0.00 O ATOM 0 H GLY A 64 22.441 7.042 16.866 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.338 8.792 16.971 1.00 0.00 H new ATOM 0 HA3 GLY A 64 21.290 9.390 15.627 1.00 0.00 H new ATOM 128 N SER A 65 19.880 7.814 14.231 1.00 0.00 N ATOM 129 CA SER A 65 19.295 6.857 13.298 1.00 0.00 C ATOM 130 C SER A 65 19.196 7.462 11.904 1.00 0.00 C ATOM 131 O SER A 65 19.260 8.681 11.737 1.00 0.00 O ATOM 132 CB SER A 65 17.902 6.448 13.779 1.00 0.00 C ATOM 133 OG SER A 65 17.131 7.614 14.034 1.00 0.00 O ATOM 0 H SER A 65 19.766 8.792 13.964 1.00 0.00 H new ATOM 0 HA SER A 65 19.938 5.978 13.255 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.411 5.831 13.026 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.980 5.845 14.684 1.00 0.00 H new ATOM 0 HG SER A 65 16.237 7.355 14.341 1.00 0.00 H new ATOM 139 N SER A 66 19.038 6.603 10.900 1.00 0.00 N ATOM 140 CA SER A 66 18.931 7.064 9.521 1.00 0.00 C ATOM 141 C SER A 66 17.518 6.846 8.991 1.00 0.00 C ATOM 142 O SER A 66 16.897 5.817 9.257 1.00 0.00 O ATOM 143 CB SER A 66 19.929 6.312 8.640 1.00 0.00 C ATOM 144 OG SER A 66 19.700 6.649 7.278 1.00 0.00 O ATOM 0 H SER A 66 18.982 5.591 11.015 1.00 0.00 H new ATOM 0 HA SER A 66 19.156 8.130 9.496 1.00 0.00 H new ATOM 0 HB2 SER A 66 20.949 6.570 8.924 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.821 5.237 8.784 1.00 0.00 H new ATOM 0 HG SER A 66 20.339 6.170 6.711 1.00 0.00 H new ATOM 150 N GLY A 67 17.015 7.822 8.241 1.00 0.00 N ATOM 151 CA GLY A 67 15.672 7.724 7.679 1.00 0.00 C ATOM 152 C GLY A 67 15.546 6.497 6.785 1.00 0.00 C ATOM 153 O GLY A 67 16.306 6.329 5.830 1.00 0.00 O ATOM 0 H GLY A 67 17.512 8.682 8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.939 7.669 8.484 1.00 0.00 H new ATOM 0 HA3 GLY A 67 15.447 8.622 7.104 1.00 0.00 H new ATOM 157 N GLU A 68 14.580 5.639 7.099 1.00 0.00 N ATOM 158 CA GLU A 68 14.365 4.426 6.318 1.00 0.00 C ATOM 159 C GLU A 68 13.442 4.708 5.136 1.00 0.00 C ATOM 160 O GLU A 68 12.377 4.105 5.009 1.00 0.00 O ATOM 161 CB GLU A 68 13.746 3.339 7.200 1.00 0.00 C ATOM 162 CG GLU A 68 14.761 2.905 8.260 1.00 0.00 C ATOM 163 CD GLU A 68 14.132 1.874 9.192 1.00 0.00 C ATOM 164 OE1 GLU A 68 13.006 1.481 8.934 1.00 0.00 O ATOM 165 OE2 GLU A 68 14.785 1.492 10.148 1.00 0.00 O ATOM 0 H GLU A 68 13.938 5.760 7.883 1.00 0.00 H new ATOM 0 HA GLU A 68 15.329 4.084 5.941 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.842 3.715 7.679 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.452 2.484 6.591 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.643 2.483 7.779 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.094 3.771 8.833 1.00 0.00 H new ATOM 172 N ASN A 69 13.861 5.628 4.273 1.00 0.00 N ATOM 173 CA ASN A 69 13.064 5.985 3.104 1.00 0.00 C ATOM 174 C ASN A 69 12.916 4.787 2.171 1.00 0.00 C ATOM 175 O ASN A 69 11.861 4.582 1.571 1.00 0.00 O ATOM 176 CB ASN A 69 13.725 7.141 2.354 1.00 0.00 C ATOM 177 CG ASN A 69 13.898 8.336 3.285 1.00 0.00 C ATOM 178 OD1 ASN A 69 12.944 8.759 3.938 1.00 0.00 O ATOM 179 ND2 ASN A 69 15.066 8.909 3.386 1.00 0.00 N ATOM 0 H ASN A 69 14.741 6.137 4.359 1.00 0.00 H new ATOM 0 HA ASN A 69 12.074 6.292 3.442 1.00 0.00 H new ATOM 0 HB2 ASN A 69 14.695 6.827 1.968 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.116 7.424 1.495 1.00 0.00 H new ATOM 0 HD21 ASN A 69 15.190 9.709 4.007 1.00 0.00 H new ATOM 0 HD22 ASN A 69 15.855 8.557 2.844 1.00 0.00 H new ATOM 186 N LEU A 70 13.979 4.001 2.052 1.00 0.00 N ATOM 187 CA LEU A 70 13.961 2.829 1.184 1.00 0.00 C ATOM 188 C LEU A 70 12.900 1.836 1.651 1.00 0.00 C ATOM 189 O LEU A 70 12.232 1.199 0.836 1.00 0.00 O ATOM 190 CB LEU A 70 15.333 2.154 1.186 1.00 0.00 C ATOM 191 CG LEU A 70 16.267 2.894 0.226 1.00 0.00 C ATOM 192 CD1 LEU A 70 16.371 4.362 0.643 1.00 0.00 C ATOM 193 CD2 LEU A 70 17.655 2.252 0.272 1.00 0.00 C ATOM 0 H LEU A 70 14.860 4.152 2.543 1.00 0.00 H new ATOM 0 HA LEU A 70 13.720 3.153 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.751 2.159 2.193 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.237 1.111 0.885 1.00 0.00 H new ATOM 0 HG LEU A 70 15.870 2.832 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU A 70 17.036 4.888 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 70 15.382 4.820 0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.768 4.425 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.322 2.778 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 70 18.051 2.314 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.582 1.206 -0.025 1.00 0.00 H new ATOM 205 N TYR A 71 12.756 1.707 2.965 1.00 0.00 N ATOM 206 CA TYR A 71 11.777 0.783 3.530 1.00 0.00 C ATOM 207 C TYR A 71 10.377 1.114 3.022 1.00 0.00 C ATOM 208 O TYR A 71 9.601 0.221 2.686 1.00 0.00 O ATOM 209 CB TYR A 71 11.801 0.866 5.057 1.00 0.00 C ATOM 210 CG TYR A 71 10.733 -0.035 5.627 1.00 0.00 C ATOM 211 CD1 TYR A 71 10.961 -1.413 5.729 1.00 0.00 C ATOM 212 CD2 TYR A 71 9.514 0.506 6.052 1.00 0.00 C ATOM 213 CE1 TYR A 71 9.971 -2.249 6.259 1.00 0.00 C ATOM 214 CE2 TYR A 71 8.524 -0.331 6.581 1.00 0.00 C ATOM 215 CZ TYR A 71 8.752 -1.708 6.683 1.00 0.00 C ATOM 216 OH TYR A 71 7.775 -2.532 7.205 1.00 0.00 O ATOM 0 H TYR A 71 13.299 2.226 3.655 1.00 0.00 H new ATOM 0 HA TYR A 71 12.036 -0.229 3.218 1.00 0.00 H new ATOM 0 HB2 TYR A 71 12.780 0.569 5.433 1.00 0.00 H new ATOM 0 HB3 TYR A 71 11.634 1.894 5.379 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.901 -1.831 5.399 1.00 0.00 H new ATOM 0 HD2 TYR A 71 9.337 1.568 5.972 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.148 -3.311 6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.584 0.086 6.910 1.00 0.00 H new ATOM 0 HH TYR A 71 6.992 -1.996 7.451 1.00 0.00 H new ATOM 226 N PHE A 72 10.060 2.403 2.971 1.00 0.00 N ATOM 227 CA PHE A 72 8.751 2.839 2.500 1.00 0.00 C ATOM 228 C PHE A 72 8.515 2.371 1.067 1.00 0.00 C ATOM 229 O PHE A 72 7.433 1.890 0.731 1.00 0.00 O ATOM 230 CB PHE A 72 8.656 4.366 2.561 1.00 0.00 C ATOM 231 CG PHE A 72 7.281 4.803 2.114 1.00 0.00 C ATOM 232 CD1 PHE A 72 6.206 4.754 3.010 1.00 0.00 C ATOM 233 CD2 PHE A 72 7.082 5.257 0.805 1.00 0.00 C ATOM 234 CE1 PHE A 72 4.932 5.160 2.595 1.00 0.00 C ATOM 235 CE2 PHE A 72 5.808 5.663 0.390 1.00 0.00 C ATOM 236 CZ PHE A 72 4.733 5.614 1.286 1.00 0.00 C ATOM 0 H PHE A 72 10.686 3.159 3.248 1.00 0.00 H new ATOM 0 HA PHE A 72 7.989 2.401 3.145 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.847 4.713 3.577 1.00 0.00 H new ATOM 0 HB3 PHE A 72 9.417 4.814 1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.359 4.403 4.020 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.912 5.294 0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.102 5.123 3.285 1.00 0.00 H new ATOM 0 HE2 PHE A 72 5.655 6.014 -0.620 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.750 5.927 0.967 1.00 0.00 H new ATOM 246 N GLN A 73 9.533 2.518 0.225 1.00 0.00 N ATOM 247 CA GLN A 73 9.424 2.113 -1.172 1.00 0.00 C ATOM 248 C GLN A 73 9.223 0.605 -1.280 1.00 0.00 C ATOM 249 O GLN A 73 8.612 0.117 -2.230 1.00 0.00 O ATOM 250 CB GLN A 73 10.685 2.520 -1.934 1.00 0.00 C ATOM 251 CG GLN A 73 10.820 4.043 -1.926 1.00 0.00 C ATOM 252 CD GLN A 73 9.671 4.674 -2.705 1.00 0.00 C ATOM 253 OE1 GLN A 73 9.306 4.188 -3.776 1.00 0.00 O ATOM 254 NE2 GLN A 73 9.075 5.733 -2.230 1.00 0.00 N ATOM 0 H GLN A 73 10.438 2.912 0.483 1.00 0.00 H new ATOM 0 HA GLN A 73 8.560 2.613 -1.609 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.562 2.065 -1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.636 2.155 -2.960 1.00 0.00 H new ATOM 0 HG2 GLN A 73 10.819 4.411 -0.900 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.773 4.334 -2.368 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.379 6.134 -1.343 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.305 6.160 -2.746 1.00 0.00 H new ATOM 263 N SER A 74 9.742 -0.127 -0.299 1.00 0.00 N ATOM 264 CA SER A 74 9.615 -1.580 -0.294 1.00 0.00 C ATOM 265 C SER A 74 8.143 -1.986 -0.276 1.00 0.00 C ATOM 266 O SER A 74 7.751 -2.962 -0.914 1.00 0.00 O ATOM 267 CB SER A 74 10.320 -2.161 0.931 1.00 0.00 C ATOM 268 OG SER A 74 11.647 -1.651 0.993 1.00 0.00 O ATOM 0 H SER A 74 10.251 0.258 0.497 1.00 0.00 H new ATOM 0 HA SER A 74 10.079 -1.971 -1.199 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.774 -1.899 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.338 -3.249 0.873 1.00 0.00 H new ATOM 0 HG SER A 74 12.103 -2.020 1.778 1.00 0.00 H new ATOM 274 N LEU A 75 7.335 -1.232 0.463 1.00 0.00 N ATOM 275 CA LEU A 75 5.909 -1.520 0.552 1.00 0.00 C ATOM 276 C LEU A 75 5.241 -1.349 -0.809 1.00 0.00 C ATOM 277 O LEU A 75 4.366 -2.127 -1.185 1.00 0.00 O ATOM 278 CB LEU A 75 5.250 -0.583 1.566 1.00 0.00 C ATOM 279 CG LEU A 75 5.724 -0.944 2.976 1.00 0.00 C ATOM 280 CD1 LEU A 75 5.287 0.147 3.956 1.00 0.00 C ATOM 281 CD2 LEU A 75 5.107 -2.281 3.394 1.00 0.00 C ATOM 0 H LEU A 75 7.641 -0.423 1.005 1.00 0.00 H new ATOM 0 HA LEU A 75 5.786 -2.553 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.504 0.452 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.165 -0.666 1.503 1.00 0.00 H new ATOM 0 HG LEU A 75 6.811 -1.026 2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.624 -0.110 4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.725 1.100 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.200 0.229 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.444 -2.539 4.398 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.020 -2.199 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.417 -3.059 2.696 1.00 0.00 H new ATOM 293 N MET A 76 5.657 -0.320 -1.541 1.00 0.00 N ATOM 294 CA MET A 76 5.086 -0.048 -2.855 1.00 0.00 C ATOM 295 C MET A 76 5.665 -0.991 -3.900 1.00 0.00 C ATOM 296 O MET A 76 5.174 -1.065 -5.027 1.00 0.00 O ATOM 297 CB MET A 76 5.368 1.401 -3.257 1.00 0.00 C ATOM 298 CG MET A 76 4.420 1.813 -4.387 1.00 0.00 C ATOM 299 SD MET A 76 4.750 3.529 -4.856 1.00 0.00 S ATOM 300 CE MET A 76 3.350 3.728 -5.984 1.00 0.00 C ATOM 0 H MET A 76 6.382 0.335 -1.249 1.00 0.00 H new ATOM 0 HA MET A 76 4.009 -0.207 -2.801 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.235 2.060 -2.399 1.00 0.00 H new ATOM 0 HB3 MET A 76 6.404 1.504 -3.581 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.556 1.157 -5.247 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.384 1.706 -4.065 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.357 4.736 -6.399 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.429 3.002 -6.793 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.419 3.566 -5.441 1.00 0.00 H new ATOM 310 N LYS A 77 6.717 -1.711 -3.522 1.00 0.00 N ATOM 311 CA LYS A 77 7.361 -2.644 -4.439 1.00 0.00 C ATOM 312 C LYS A 77 7.822 -3.893 -3.699 1.00 0.00 C ATOM 313 O LYS A 77 8.706 -3.831 -2.844 1.00 0.00 O ATOM 314 CB LYS A 77 8.565 -1.970 -5.104 1.00 0.00 C ATOM 315 CG LYS A 77 9.119 -2.881 -6.202 1.00 0.00 C ATOM 316 CD LYS A 77 10.277 -2.179 -6.913 1.00 0.00 C ATOM 317 CE LYS A 77 10.827 -3.088 -8.014 1.00 0.00 C ATOM 318 NZ LYS A 77 11.943 -2.396 -8.718 1.00 0.00 N ATOM 0 H LYS A 77 7.139 -1.667 -2.594 1.00 0.00 H new ATOM 0 HA LYS A 77 6.637 -2.935 -5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.270 -1.010 -5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.337 -1.767 -4.362 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.460 -3.822 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.334 -3.125 -6.917 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.937 -1.236 -7.341 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.064 -1.939 -6.198 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.180 -4.025 -7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.037 -3.339 -8.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.317 -3.014 -9.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.592 -1.513 -9.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.700 -2.178 -8.039 1.00 0.00 H new ATOM 332 N ASP A 78 7.218 -5.029 -4.033 1.00 0.00 N ATOM 333 CA ASP A 78 7.579 -6.292 -3.398 1.00 0.00 C ATOM 334 C ASP A 78 7.985 -7.321 -4.449 1.00 0.00 C ATOM 335 O ASP A 78 8.024 -7.023 -5.643 1.00 0.00 O ATOM 336 CB ASP A 78 6.400 -6.828 -2.587 1.00 0.00 C ATOM 337 CG ASP A 78 6.034 -5.839 -1.485 1.00 0.00 C ATOM 338 OD1 ASP A 78 6.937 -5.377 -0.807 1.00 0.00 O ATOM 339 OD2 ASP A 78 4.856 -5.557 -1.337 1.00 0.00 O ATOM 0 H ASP A 78 6.481 -5.101 -4.735 1.00 0.00 H new ATOM 0 HA ASP A 78 8.424 -6.113 -2.733 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.543 -6.991 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.657 -7.793 -2.151 1.00 0.00 H new ATOM 344 N THR A 79 8.290 -8.534 -3.997 1.00 0.00 N ATOM 345 CA THR A 79 8.695 -9.598 -4.906 1.00 0.00 C ATOM 346 C THR A 79 8.307 -10.962 -4.345 1.00 0.00 C ATOM 347 O THR A 79 8.013 -11.093 -3.155 1.00 0.00 O ATOM 348 CB THR A 79 10.210 -9.547 -5.127 1.00 0.00 C ATOM 349 OG1 THR A 79 10.614 -10.677 -5.887 1.00 0.00 O ATOM 350 CG2 THR A 79 10.925 -9.557 -3.774 1.00 0.00 C ATOM 0 H THR A 79 8.264 -8.802 -3.013 1.00 0.00 H new ATOM 0 HA THR A 79 8.183 -9.451 -5.857 1.00 0.00 H new ATOM 0 HB THR A 79 10.469 -8.635 -5.665 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.583 -10.645 -6.031 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.003 -9.521 -3.932 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.614 -8.690 -3.192 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.668 -10.468 -3.233 1.00 0.00 H new ATOM 358 N ASP A 80 8.310 -11.974 -5.205 1.00 0.00 N ATOM 359 CA ASP A 80 7.966 -13.326 -4.780 1.00 0.00 C ATOM 360 C ASP A 80 6.567 -13.360 -4.176 1.00 0.00 C ATOM 361 O ASP A 80 6.321 -14.059 -3.193 1.00 0.00 O ATOM 362 CB ASP A 80 8.982 -13.822 -3.749 1.00 0.00 C ATOM 363 CG ASP A 80 8.757 -15.303 -3.465 1.00 0.00 C ATOM 364 OD1 ASP A 80 7.780 -15.840 -3.964 1.00 0.00 O ATOM 365 OD2 ASP A 80 9.564 -15.881 -2.755 1.00 0.00 O ATOM 0 H ASP A 80 8.545 -11.886 -6.194 1.00 0.00 H new ATOM 0 HA ASP A 80 7.986 -13.977 -5.654 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.995 -13.664 -4.120 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.887 -13.248 -2.827 1.00 0.00 H new ATOM 370 N SER A 81 5.654 -12.598 -4.769 1.00 0.00 N ATOM 371 CA SER A 81 4.280 -12.550 -4.281 1.00 0.00 C ATOM 372 C SER A 81 3.339 -12.066 -5.380 1.00 0.00 C ATOM 373 O SER A 81 2.186 -11.725 -5.116 1.00 0.00 O ATOM 374 CB SER A 81 4.188 -11.607 -3.080 1.00 0.00 C ATOM 375 OG SER A 81 5.352 -11.754 -2.278 1.00 0.00 O ATOM 0 H SER A 81 5.838 -12.010 -5.582 1.00 0.00 H new ATOM 0 HA SER A 81 3.984 -13.555 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.094 -10.575 -3.419 1.00 0.00 H new ATOM 0 HB3 SER A 81 3.297 -11.832 -2.493 1.00 0.00 H new ATOM 0 HG SER A 81 5.595 -12.702 -2.225 1.00 0.00 H new ATOM 381 N GLU A 82 3.835 -12.050 -6.614 1.00 0.00 N ATOM 382 CA GLU A 82 3.030 -11.593 -7.739 1.00 0.00 C ATOM 383 C GLU A 82 1.661 -12.266 -7.722 1.00 0.00 C ATOM 384 O GLU A 82 0.649 -11.637 -8.039 1.00 0.00 O ATOM 385 CB GLU A 82 3.744 -11.931 -9.055 1.00 0.00 C ATOM 386 CG GLU A 82 5.092 -11.209 -9.101 1.00 0.00 C ATOM 387 CD GLU A 82 4.877 -9.701 -9.151 1.00 0.00 C ATOM 388 OE1 GLU A 82 3.799 -9.290 -9.548 1.00 0.00 O ATOM 389 OE2 GLU A 82 5.793 -8.980 -8.794 1.00 0.00 O ATOM 0 H GLU A 82 4.781 -12.345 -6.858 1.00 0.00 H new ATOM 0 HA GLU A 82 2.897 -10.514 -7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.893 -13.008 -9.135 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.129 -11.630 -9.903 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.684 -11.471 -8.224 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.657 -11.533 -9.975 1.00 0.00 H new ATOM 396 N GLU A 83 1.634 -13.537 -7.352 1.00 0.00 N ATOM 397 CA GLU A 83 0.380 -14.282 -7.298 1.00 0.00 C ATOM 398 C GLU A 83 -0.506 -13.771 -6.168 1.00 0.00 C ATOM 399 O GLU A 83 -1.722 -13.667 -6.317 1.00 0.00 O ATOM 400 CB GLU A 83 0.665 -15.772 -7.094 1.00 0.00 C ATOM 401 CG GLU A 83 1.430 -16.318 -8.301 1.00 0.00 C ATOM 402 CD GLU A 83 0.551 -16.266 -9.546 1.00 0.00 C ATOM 403 OE1 GLU A 83 -0.657 -16.181 -9.390 1.00 0.00 O ATOM 404 OE2 GLU A 83 1.096 -16.311 -10.636 1.00 0.00 O ATOM 0 H GLU A 83 2.459 -14.074 -7.086 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.144 -14.138 -8.243 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.247 -15.920 -6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.270 -16.317 -6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.336 -15.734 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 83 1.742 -17.345 -8.109 1.00 0.00 H new ATOM 411 N GLU A 84 0.115 -13.456 -5.036 1.00 0.00 N ATOM 412 CA GLU A 84 -0.629 -12.969 -3.881 1.00 0.00 C ATOM 413 C GLU A 84 -1.311 -11.643 -4.200 1.00 0.00 C ATOM 414 O GLU A 84 -2.435 -11.394 -3.765 1.00 0.00 O ATOM 415 CB GLU A 84 0.318 -12.782 -2.692 1.00 0.00 C ATOM 416 CG GLU A 84 -0.487 -12.384 -1.454 1.00 0.00 C ATOM 417 CD GLU A 84 0.445 -12.200 -0.261 1.00 0.00 C ATOM 418 OE1 GLU A 84 1.644 -12.146 -0.476 1.00 0.00 O ATOM 419 OE2 GLU A 84 -0.055 -12.116 0.848 1.00 0.00 O ATOM 0 H GLU A 84 1.123 -13.528 -4.894 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.392 -13.705 -3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.865 -13.705 -2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.057 -12.014 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.031 -11.460 -1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.229 -13.151 -1.231 1.00 0.00 H new ATOM 426 N ILE A 85 -0.627 -10.800 -4.967 1.00 0.00 N ATOM 427 CA ILE A 85 -1.174 -9.496 -5.323 1.00 0.00 C ATOM 428 C ILE A 85 -2.465 -9.658 -6.120 1.00 0.00 C ATOM 429 O ILE A 85 -3.452 -8.969 -5.862 1.00 0.00 O ATOM 430 CB ILE A 85 -0.156 -8.719 -6.157 1.00 0.00 C ATOM 431 CG1 ILE A 85 1.064 -8.383 -5.291 1.00 0.00 C ATOM 432 CG2 ILE A 85 -0.790 -7.419 -6.661 1.00 0.00 C ATOM 433 CD1 ILE A 85 2.232 -7.972 -6.189 1.00 0.00 C ATOM 0 H ILE A 85 0.298 -10.994 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.391 -8.948 -4.406 1.00 0.00 H new ATOM 0 HB ILE A 85 0.153 -9.327 -7.007 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.821 -7.575 -4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.343 -9.246 -4.687 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.063 -6.866 -7.256 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.659 -7.653 -7.276 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.100 -6.812 -5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.099 -7.733 -5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.480 -8.793 -6.862 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.951 -7.096 -6.774 1.00 0.00 H new ATOM 445 N ARG A 86 -2.451 -10.574 -7.082 1.00 0.00 N ATOM 446 CA ARG A 86 -3.630 -10.817 -7.906 1.00 0.00 C ATOM 447 C ARG A 86 -4.802 -11.265 -7.037 1.00 0.00 C ATOM 448 O ARG A 86 -5.923 -10.778 -7.192 1.00 0.00 O ATOM 449 CB ARG A 86 -3.324 -11.897 -8.946 1.00 0.00 C ATOM 450 CG ARG A 86 -4.519 -12.051 -9.889 1.00 0.00 C ATOM 451 CD ARG A 86 -4.193 -13.089 -10.963 1.00 0.00 C ATOM 452 NE ARG A 86 -2.980 -12.710 -11.679 1.00 0.00 N ATOM 453 CZ ARG A 86 -3.013 -11.813 -12.659 1.00 0.00 C ATOM 454 NH1 ARG A 86 -4.156 -11.331 -13.065 1.00 0.00 N ATOM 455 NH2 ARG A 86 -1.902 -11.412 -13.214 1.00 0.00 N ATOM 0 H ARG A 86 -1.645 -11.156 -7.309 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.898 -9.890 -8.412 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.432 -11.629 -9.513 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.114 -12.845 -8.450 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.401 -12.358 -9.327 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.755 -11.094 -10.354 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.062 -14.069 -10.504 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.025 -13.173 -11.662 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.091 -13.141 -11.423 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.024 -11.643 -12.630 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.181 -10.643 -13.817 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.008 -11.787 -12.896 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.927 -10.724 -13.966 1.00 0.00 H new ATOM 469 N GLU A 87 -4.538 -12.192 -6.123 1.00 0.00 N ATOM 470 CA GLU A 87 -5.575 -12.686 -5.224 1.00 0.00 C ATOM 471 C GLU A 87 -5.982 -11.603 -4.229 1.00 0.00 C ATOM 472 O GLU A 87 -7.155 -11.471 -3.883 1.00 0.00 O ATOM 473 CB GLU A 87 -5.072 -13.916 -4.469 1.00 0.00 C ATOM 474 CG GLU A 87 -6.195 -14.470 -3.590 1.00 0.00 C ATOM 475 CD GLU A 87 -5.738 -15.757 -2.913 1.00 0.00 C ATOM 476 OE1 GLU A 87 -4.553 -16.042 -2.961 1.00 0.00 O ATOM 477 OE2 GLU A 87 -6.581 -16.441 -2.354 1.00 0.00 O ATOM 0 H GLU A 87 -3.620 -12.615 -5.985 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.445 -12.960 -5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.738 -14.677 -5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -4.211 -13.652 -3.854 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.477 -13.733 -2.838 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.081 -14.662 -4.195 1.00 0.00 H new ATOM 484 N ALA A 88 -5.001 -10.830 -3.771 1.00 0.00 N ATOM 485 CA ALA A 88 -5.268 -9.766 -2.810 1.00 0.00 C ATOM 486 C ALA A 88 -6.297 -8.789 -3.367 1.00 0.00 C ATOM 487 O ALA A 88 -7.204 -8.355 -2.654 1.00 0.00 O ATOM 488 CB ALA A 88 -3.973 -9.014 -2.493 1.00 0.00 C ATOM 0 H ALA A 88 -4.023 -10.919 -4.047 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.663 -10.215 -1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -4.179 -8.221 -1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.245 -9.706 -2.070 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.571 -8.579 -3.408 1.00 0.00 H new ATOM 494 N PHE A 89 -6.160 -8.455 -4.646 1.00 0.00 N ATOM 495 CA PHE A 89 -7.085 -7.524 -5.285 1.00 0.00 C ATOM 496 C PHE A 89 -8.519 -8.027 -5.152 1.00 0.00 C ATOM 497 O PHE A 89 -9.424 -7.263 -4.810 1.00 0.00 O ATOM 498 CB PHE A 89 -6.731 -7.375 -6.767 1.00 0.00 C ATOM 499 CG PHE A 89 -7.532 -6.243 -7.364 1.00 0.00 C ATOM 500 CD1 PHE A 89 -7.087 -4.922 -7.222 1.00 0.00 C ATOM 501 CD2 PHE A 89 -8.717 -6.512 -8.058 1.00 0.00 C ATOM 502 CE1 PHE A 89 -7.829 -3.871 -7.775 1.00 0.00 C ATOM 503 CE2 PHE A 89 -9.458 -5.461 -8.611 1.00 0.00 C ATOM 504 CZ PHE A 89 -9.014 -4.140 -8.469 1.00 0.00 C ATOM 0 H PHE A 89 -5.425 -8.811 -5.257 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.001 -6.556 -4.792 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.665 -7.179 -6.879 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.942 -8.303 -7.298 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.172 -4.714 -6.686 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.060 -7.530 -8.167 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.487 -2.853 -7.666 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.372 -5.669 -9.147 1.00 0.00 H new ATOM 0 HZ PHE A 89 -9.586 -3.329 -8.895 1.00 0.00 H new ATOM 514 N ARG A 90 -8.720 -9.313 -5.421 1.00 0.00 N ATOM 515 CA ARG A 90 -10.050 -9.905 -5.322 1.00 0.00 C ATOM 516 C ARG A 90 -10.539 -9.882 -3.877 1.00 0.00 C ATOM 517 O ARG A 90 -11.683 -9.519 -3.604 1.00 0.00 O ATOM 518 CB ARG A 90 -10.016 -11.348 -5.828 1.00 0.00 C ATOM 519 CG ARG A 90 -11.443 -11.899 -5.895 1.00 0.00 C ATOM 520 CD ARG A 90 -11.401 -13.377 -6.281 1.00 0.00 C ATOM 521 NE ARG A 90 -10.692 -13.550 -7.544 1.00 0.00 N ATOM 522 CZ ARG A 90 -11.337 -13.513 -8.706 1.00 0.00 C ATOM 523 NH1 ARG A 90 -12.346 -12.703 -8.866 1.00 0.00 N ATOM 524 NH2 ARG A 90 -10.960 -14.288 -9.685 1.00 0.00 N ATOM 0 H ARG A 90 -7.986 -9.961 -5.707 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.736 -9.321 -5.935 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -9.553 -11.388 -6.814 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.408 -11.963 -5.165 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.937 -11.778 -4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.027 -11.338 -6.625 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -10.907 -13.951 -5.497 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.415 -13.766 -6.369 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.683 -13.702 -7.536 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -12.641 -12.098 -8.100 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.841 -12.675 -9.757 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -10.171 -14.922 -9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.454 -14.260 -10.577 1.00 0.00 H new ATOM 538 N VAL A 91 -9.665 -10.267 -2.953 1.00 0.00 N ATOM 539 CA VAL A 91 -10.015 -10.278 -1.539 1.00 0.00 C ATOM 540 C VAL A 91 -10.366 -8.870 -1.064 1.00 0.00 C ATOM 541 O VAL A 91 -11.307 -8.682 -0.293 1.00 0.00 O ATOM 542 CB VAL A 91 -8.847 -10.820 -0.713 1.00 0.00 C ATOM 543 CG1 VAL A 91 -9.184 -10.724 0.775 1.00 0.00 C ATOM 544 CG2 VAL A 91 -8.597 -12.282 -1.087 1.00 0.00 C ATOM 0 H VAL A 91 -8.714 -10.574 -3.157 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.883 -10.923 -1.405 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.952 -10.233 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -8.351 -11.110 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.363 -9.682 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.078 -11.311 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.765 -12.671 -0.500 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -9.492 -12.869 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -8.355 -12.350 -2.148 1.00 0.00 H new ATOM 554 N GLU A 92 -9.602 -7.887 -1.528 1.00 0.00 N ATOM 555 CA GLU A 92 -9.835 -6.503 -1.131 1.00 0.00 C ATOM 556 C GLU A 92 -11.125 -5.979 -1.746 1.00 0.00 C ATOM 557 O GLU A 92 -11.750 -5.062 -1.213 1.00 0.00 O ATOM 558 CB GLU A 92 -8.660 -5.629 -1.584 1.00 0.00 C ATOM 559 CG GLU A 92 -7.430 -5.942 -0.730 1.00 0.00 C ATOM 560 CD GLU A 92 -7.640 -5.440 0.694 1.00 0.00 C ATOM 561 OE1 GLU A 92 -8.469 -4.561 0.874 1.00 0.00 O ATOM 562 OE2 GLU A 92 -6.973 -5.940 1.584 1.00 0.00 O ATOM 0 H GLU A 92 -8.823 -8.020 -2.173 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.923 -6.464 -0.045 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.441 -5.812 -2.636 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.921 -4.575 -1.492 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.247 -7.017 -0.722 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.547 -5.472 -1.163 1.00 0.00 H new ATOM 569 N ASP A 93 -11.522 -6.567 -2.871 1.00 0.00 N ATOM 570 CA ASP A 93 -12.744 -6.147 -3.549 1.00 0.00 C ATOM 571 C ASP A 93 -13.944 -6.930 -3.025 1.00 0.00 C ATOM 572 O ASP A 93 -14.551 -7.716 -3.753 1.00 0.00 O ATOM 573 CB ASP A 93 -12.605 -6.371 -5.057 1.00 0.00 C ATOM 574 CG ASP A 93 -13.737 -5.666 -5.794 1.00 0.00 C ATOM 575 OD1 ASP A 93 -14.636 -5.175 -5.130 1.00 0.00 O ATOM 576 OD2 ASP A 93 -13.691 -5.626 -7.012 1.00 0.00 O ATOM 0 H ASP A 93 -11.021 -7.328 -3.329 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.903 -5.087 -3.351 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.643 -5.992 -5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.625 -7.438 -5.278 1.00 0.00 H new ATOM 581 N LYS A 94 -14.279 -6.711 -1.758 1.00 0.00 N ATOM 582 CA LYS A 94 -15.407 -7.401 -1.148 1.00 0.00 C ATOM 583 C LYS A 94 -16.706 -7.056 -1.868 1.00 0.00 C ATOM 584 O LYS A 94 -17.550 -7.922 -2.100 1.00 0.00 O ATOM 585 CB LYS A 94 -15.523 -7.010 0.328 1.00 0.00 C ATOM 586 CG LYS A 94 -14.334 -7.582 1.103 1.00 0.00 C ATOM 587 CD LYS A 94 -14.423 -7.148 2.568 1.00 0.00 C ATOM 588 CE LYS A 94 -13.257 -7.754 3.352 1.00 0.00 C ATOM 589 NZ LYS A 94 -13.329 -7.308 4.772 1.00 0.00 N ATOM 0 H LYS A 94 -13.789 -6.066 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 94 -15.235 -8.474 -1.230 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -15.547 -5.925 0.427 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.457 -7.388 0.743 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.331 -8.670 1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.399 -7.233 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.396 -6.061 2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -15.371 -7.472 2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -13.295 -8.842 3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.309 -7.447 2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.436 -6.845 5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.114 -6.636 4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -13.487 -8.132 5.387 1.00 0.00 H new ATOM 603 N ASP A 95 -16.858 -5.781 -2.224 1.00 0.00 N ATOM 604 CA ASP A 95 -18.070 -5.333 -2.898 1.00 0.00 C ATOM 605 C ASP A 95 -18.032 -5.702 -4.375 1.00 0.00 C ATOM 606 O ASP A 95 -18.998 -5.479 -5.106 1.00 0.00 O ATOM 607 CB ASP A 95 -18.206 -3.812 -2.757 1.00 0.00 C ATOM 608 CG ASP A 95 -16.948 -3.125 -3.275 1.00 0.00 C ATOM 609 OD1 ASP A 95 -16.153 -3.794 -3.916 1.00 0.00 O ATOM 610 OD2 ASP A 95 -16.796 -1.940 -3.024 1.00 0.00 O ATOM 0 H ASP A 95 -16.166 -5.051 -2.059 1.00 0.00 H new ATOM 0 HA ASP A 95 -18.925 -5.825 -2.435 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -19.076 -3.463 -3.314 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -18.370 -3.549 -1.712 1.00 0.00 H new ATOM 615 N GLY A 96 -16.917 -6.282 -4.806 1.00 0.00 N ATOM 616 CA GLY A 96 -16.770 -6.694 -6.197 1.00 0.00 C ATOM 617 C GLY A 96 -16.948 -5.509 -7.140 1.00 0.00 C ATOM 618 O GLY A 96 -17.245 -5.683 -8.322 1.00 0.00 O ATOM 0 H GLY A 96 -16.107 -6.476 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -15.786 -7.138 -6.346 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -17.505 -7.464 -6.432 1.00 0.00 H new ATOM 622 N ASN A 97 -16.761 -4.305 -6.609 1.00 0.00 N ATOM 623 CA ASN A 97 -16.904 -3.097 -7.413 1.00 0.00 C ATOM 624 C ASN A 97 -15.802 -3.020 -8.464 1.00 0.00 C ATOM 625 O ASN A 97 -15.915 -2.284 -9.444 1.00 0.00 O ATOM 626 CB ASN A 97 -16.839 -1.860 -6.515 1.00 0.00 C ATOM 627 CG ASN A 97 -15.571 -1.895 -5.669 1.00 0.00 C ATOM 628 OD1 ASN A 97 -15.336 -0.996 -4.861 1.00 0.00 O ATOM 629 ND2 ASN A 97 -14.734 -2.885 -5.807 1.00 0.00 N ATOM 0 H ASN A 97 -16.512 -4.140 -5.634 1.00 0.00 H new ATOM 0 HA ASN A 97 -17.871 -3.131 -7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.854 -0.957 -7.125 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.716 -1.823 -5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -14.930 -3.629 -6.477 1.00 0.00 H new ATOM 636 N GLY A 98 -14.735 -3.788 -8.256 1.00 0.00 N ATOM 637 CA GLY A 98 -13.618 -3.796 -9.190 1.00 0.00 C ATOM 638 C GLY A 98 -12.637 -2.674 -8.875 1.00 0.00 C ATOM 639 O GLY A 98 -11.646 -2.484 -9.580 1.00 0.00 O ATOM 0 H GLY A 98 -14.623 -4.408 -7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -13.105 -4.757 -9.142 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -13.990 -3.684 -10.209 1.00 0.00 H new ATOM 643 N TYR A 99 -12.917 -1.932 -7.808 1.00 0.00 N ATOM 644 CA TYR A 99 -12.046 -0.832 -7.404 1.00 0.00 C ATOM 645 C TYR A 99 -11.717 -0.932 -5.919 1.00 0.00 C ATOM 646 O TYR A 99 -12.453 -1.552 -5.149 1.00 0.00 O ATOM 647 CB TYR A 99 -12.726 0.509 -7.686 1.00 0.00 C ATOM 648 CG TYR A 99 -13.058 0.603 -9.156 1.00 0.00 C ATOM 649 CD1 TYR A 99 -12.106 1.093 -10.059 1.00 0.00 C ATOM 650 CD2 TYR A 99 -14.317 0.202 -9.616 1.00 0.00 C ATOM 651 CE1 TYR A 99 -12.416 1.182 -11.422 1.00 0.00 C ATOM 652 CE2 TYR A 99 -14.627 0.290 -10.978 1.00 0.00 C ATOM 653 CZ TYR A 99 -13.675 0.780 -11.881 1.00 0.00 C ATOM 654 OH TYR A 99 -13.979 0.867 -13.224 1.00 0.00 O ATOM 0 H TYR A 99 -13.733 -2.070 -7.212 1.00 0.00 H new ATOM 0 HA TYR A 99 -11.122 -0.897 -7.979 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -13.634 0.601 -7.090 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -12.070 1.330 -7.397 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -11.134 1.402 -9.705 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -15.051 -0.176 -8.919 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -11.683 1.561 -12.119 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -15.599 -0.020 -11.332 1.00 0.00 H new ATOM 0 HH TYR A 99 -14.893 0.547 -13.374 1.00 0.00 H new ATOM 664 N ILE A 100 -10.603 -0.324 -5.520 1.00 0.00 N ATOM 665 CA ILE A 100 -10.184 -0.353 -4.124 1.00 0.00 C ATOM 666 C ILE A 100 -10.398 1.005 -3.470 1.00 0.00 C ATOM 667 O ILE A 100 -9.824 2.009 -3.895 1.00 0.00 O ATOM 668 CB ILE A 100 -8.706 -0.739 -4.030 1.00 0.00 C ATOM 669 CG1 ILE A 100 -8.440 -1.951 -4.927 1.00 0.00 C ATOM 670 CG2 ILE A 100 -8.359 -1.088 -2.582 1.00 0.00 C ATOM 671 CD1 ILE A 100 -9.397 -3.084 -4.551 1.00 0.00 C ATOM 0 H ILE A 100 -9.978 0.191 -6.140 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.788 -1.094 -3.600 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.089 0.098 -4.357 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -8.575 -1.679 -5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.407 -2.281 -4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -7.306 -1.363 -2.516 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.549 -0.225 -1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.974 -1.925 -2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.208 -3.947 -5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.240 -3.362 -3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.426 -2.751 -4.686 1.00 0.00 H new ATOM 683 N SER A 101 -11.227 1.035 -2.435 1.00 0.00 N ATOM 684 CA SER A 101 -11.511 2.277 -1.722 1.00 0.00 C ATOM 685 C SER A 101 -10.662 2.377 -0.459 1.00 0.00 C ATOM 686 O SER A 101 -9.863 1.488 -0.165 1.00 0.00 O ATOM 687 CB SER A 101 -12.991 2.344 -1.352 1.00 0.00 C ATOM 688 OG SER A 101 -13.390 1.102 -0.789 1.00 0.00 O ATOM 0 H SER A 101 -11.714 0.217 -2.070 1.00 0.00 H new ATOM 0 HA SER A 101 -11.265 3.112 -2.378 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.164 3.151 -0.640 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.589 2.565 -2.236 1.00 0.00 H new ATOM 0 HG SER A 101 -14.339 1.142 -0.549 1.00 0.00 H new ATOM 694 N ALA A 102 -10.839 3.466 0.283 1.00 0.00 N ATOM 695 CA ALA A 102 -10.085 3.669 1.514 1.00 0.00 C ATOM 696 C ALA A 102 -10.357 2.538 2.503 1.00 0.00 C ATOM 697 O ALA A 102 -9.434 2.001 3.114 1.00 0.00 O ATOM 698 CB ALA A 102 -10.474 5.005 2.150 1.00 0.00 C ATOM 0 H ALA A 102 -11.492 4.215 0.055 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.023 3.677 1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.906 5.149 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -10.253 5.816 1.456 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.540 5.003 2.378 1.00 0.00 H new ATOM 704 N ALA A 103 -11.628 2.176 2.647 1.00 0.00 N ATOM 705 CA ALA A 103 -12.008 1.108 3.564 1.00 0.00 C ATOM 706 C ALA A 103 -11.210 -0.159 3.262 1.00 0.00 C ATOM 707 O ALA A 103 -10.704 -0.814 4.174 1.00 0.00 O ATOM 708 CB ALA A 103 -13.503 0.814 3.429 1.00 0.00 C ATOM 0 H ALA A 103 -12.406 2.603 2.145 1.00 0.00 H new ATOM 0 HA ALA A 103 -11.792 1.430 4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -13.780 0.015 4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -14.073 1.712 3.667 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -13.722 0.505 2.407 1.00 0.00 H new ATOM 714 N GLU A 104 -11.101 -0.495 1.983 1.00 0.00 N ATOM 715 CA GLU A 104 -10.350 -1.677 1.574 1.00 0.00 C ATOM 716 C GLU A 104 -8.852 -1.444 1.744 1.00 0.00 C ATOM 717 O GLU A 104 -8.108 -2.358 2.100 1.00 0.00 O ATOM 718 CB GLU A 104 -10.655 -2.011 0.113 1.00 0.00 C ATOM 719 CG GLU A 104 -12.134 -2.374 -0.029 1.00 0.00 C ATOM 720 CD GLU A 104 -12.557 -2.278 -1.491 1.00 0.00 C ATOM 721 OE1 GLU A 104 -11.983 -2.986 -2.301 1.00 0.00 O ATOM 722 OE2 GLU A 104 -13.448 -1.495 -1.779 1.00 0.00 O ATOM 0 H GLU A 104 -11.520 0.030 1.215 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.650 -2.512 2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.416 -1.159 -0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.032 -2.842 -0.219 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.306 -3.384 0.342 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.741 -1.703 0.579 1.00 0.00 H new ATOM 729 N LEU A 105 -8.415 -0.218 1.481 1.00 0.00 N ATOM 730 CA LEU A 105 -7.007 0.125 1.606 1.00 0.00 C ATOM 731 C LEU A 105 -6.544 -0.007 3.053 1.00 0.00 C ATOM 732 O LEU A 105 -5.384 -0.315 3.322 1.00 0.00 O ATOM 733 CB LEU A 105 -6.766 1.554 1.115 1.00 0.00 C ATOM 734 CG LEU A 105 -5.279 1.752 0.812 1.00 0.00 C ATOM 735 CD1 LEU A 105 -4.995 1.374 -0.643 1.00 0.00 C ATOM 736 CD2 LEU A 105 -4.901 3.218 1.040 1.00 0.00 C ATOM 0 H LEU A 105 -9.014 0.551 1.181 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.432 -0.568 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.358 1.746 0.220 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.091 2.268 1.871 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.689 1.116 1.473 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.935 1.516 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.261 0.330 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.586 2.007 -1.305 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.842 3.358 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.493 3.853 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.099 3.488 2.077 1.00 0.00 H new ATOM 748 N ARG A 106 -7.455 0.256 3.981 1.00 0.00 N ATOM 749 CA ARG A 106 -7.137 0.174 5.402 1.00 0.00 C ATOM 750 C ARG A 106 -6.956 -1.271 5.845 1.00 0.00 C ATOM 751 O ARG A 106 -6.120 -1.574 6.694 1.00 0.00 O ATOM 752 CB ARG A 106 -8.238 0.837 6.227 1.00 0.00 C ATOM 753 CG ARG A 106 -8.148 2.357 6.084 1.00 0.00 C ATOM 754 CD ARG A 106 -9.226 3.017 6.944 1.00 0.00 C ATOM 755 NE ARG A 106 -10.551 2.713 6.415 1.00 0.00 N ATOM 756 CZ ARG A 106 -11.648 3.186 6.996 1.00 0.00 C ATOM 757 NH1 ARG A 106 -11.573 4.219 7.791 1.00 0.00 N ATOM 758 NH2 ARG A 106 -12.802 2.618 6.772 1.00 0.00 N ATOM 0 H ARG A 106 -8.417 0.527 3.777 1.00 0.00 H new ATOM 0 HA ARG A 106 -6.197 0.700 5.566 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.215 0.488 5.893 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.140 0.555 7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -7.161 2.704 6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.276 2.643 5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.147 2.664 7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -9.074 4.096 6.965 1.00 0.00 H new ATOM 0 HE ARG A 106 -10.637 2.127 5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -10.672 4.663 7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -12.416 4.582 8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -12.861 1.811 6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -13.644 2.981 7.218 1.00 0.00 H new ATOM 772 N HIS A 107 -7.753 -2.164 5.263 1.00 0.00 N ATOM 773 CA HIS A 107 -7.682 -3.576 5.611 1.00 0.00 C ATOM 774 C HIS A 107 -6.262 -4.100 5.424 1.00 0.00 C ATOM 775 O HIS A 107 -5.767 -4.882 6.237 1.00 0.00 O ATOM 776 CB HIS A 107 -8.643 -4.378 4.731 1.00 0.00 C ATOM 777 CG HIS A 107 -10.061 -4.007 5.068 1.00 0.00 C ATOM 778 ND1 HIS A 107 -11.141 -4.782 4.676 1.00 0.00 N ATOM 779 CD2 HIS A 107 -10.591 -2.945 5.758 1.00 0.00 C ATOM 780 CE1 HIS A 107 -12.257 -4.181 5.131 1.00 0.00 C ATOM 781 NE2 HIS A 107 -11.978 -3.058 5.797 1.00 0.00 N ATOM 0 H HIS A 107 -8.450 -1.935 4.554 1.00 0.00 H new ATOM 0 HA HIS A 107 -7.966 -3.690 6.657 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -8.443 -4.176 3.679 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -8.489 -5.446 4.885 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -10.019 -2.144 6.203 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -13.256 -4.561 4.976 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -12.639 -2.420 6.239 1.00 0.00 H new ATOM 789 N VAL A 108 -5.613 -3.666 4.351 1.00 0.00 N ATOM 790 CA VAL A 108 -4.249 -4.099 4.069 1.00 0.00 C ATOM 791 C VAL A 108 -3.297 -3.619 5.161 1.00 0.00 C ATOM 792 O VAL A 108 -2.459 -4.379 5.644 1.00 0.00 O ATOM 793 CB VAL A 108 -3.793 -3.546 2.717 1.00 0.00 C ATOM 794 CG1 VAL A 108 -2.331 -3.922 2.476 1.00 0.00 C ATOM 795 CG2 VAL A 108 -4.662 -4.140 1.606 1.00 0.00 C ATOM 0 H VAL A 108 -6.005 -3.020 3.666 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.234 -5.189 4.041 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.892 -2.460 2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.008 -3.527 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.712 -3.500 3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.230 -5.007 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.339 -3.747 0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.563 -5.225 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.704 -3.871 1.776 1.00 0.00 H new ATOM 805 N MET A 109 -3.434 -2.355 5.545 1.00 0.00 N ATOM 806 CA MET A 109 -2.574 -1.781 6.574 1.00 0.00 C ATOM 807 C MET A 109 -2.787 -2.487 7.907 1.00 0.00 C ATOM 808 O MET A 109 -1.838 -2.718 8.658 1.00 0.00 O ATOM 809 CB MET A 109 -2.870 -0.288 6.729 1.00 0.00 C ATOM 810 CG MET A 109 -2.542 0.438 5.423 1.00 0.00 C ATOM 811 SD MET A 109 -0.755 0.389 5.137 1.00 0.00 S ATOM 812 CE MET A 109 -0.816 0.354 3.329 1.00 0.00 C ATOM 0 H MET A 109 -4.127 -1.712 5.163 1.00 0.00 H new ATOM 0 HA MET A 109 -1.536 -1.915 6.269 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.919 -0.140 6.986 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.280 0.127 7.546 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.067 -0.032 4.591 1.00 0.00 H new ATOM 0 HG3 MET A 109 -2.885 1.471 5.473 1.00 0.00 H new ATOM 0 HE1 MET A 109 0.198 0.321 2.931 1.00 0.00 H new ATOM 0 HE2 MET A 109 -1.363 -0.530 3.000 1.00 0.00 H new ATOM 0 HE3 MET A 109 -1.320 1.249 2.965 1.00 0.00 H new ATOM 822 N THR A 110 -4.037 -2.826 8.198 1.00 0.00 N ATOM 823 CA THR A 110 -4.366 -3.505 9.447 1.00 0.00 C ATOM 824 C THR A 110 -3.700 -4.875 9.503 1.00 0.00 C ATOM 825 O THR A 110 -3.330 -5.353 10.576 1.00 0.00 O ATOM 826 CB THR A 110 -5.882 -3.664 9.574 1.00 0.00 C ATOM 827 OG1 THR A 110 -6.383 -4.328 8.423 1.00 0.00 O ATOM 828 CG2 THR A 110 -6.534 -2.285 9.695 1.00 0.00 C ATOM 0 H THR A 110 -4.836 -2.644 7.591 1.00 0.00 H new ATOM 0 HA THR A 110 -3.996 -2.900 10.275 1.00 0.00 H new ATOM 0 HB THR A 110 -6.114 -4.251 10.463 1.00 0.00 H new ATOM 0 HG1 THR A 110 -5.679 -4.380 7.743 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.614 -2.400 9.785 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.148 -1.776 10.578 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.305 -1.695 8.808 1.00 0.00 H new ATOM 836 N ASN A 111 -3.552 -5.503 8.342 1.00 0.00 N ATOM 837 CA ASN A 111 -2.922 -6.817 8.270 1.00 0.00 C ATOM 838 C ASN A 111 -1.461 -6.733 8.705 1.00 0.00 C ATOM 839 O ASN A 111 -0.962 -7.613 9.406 1.00 0.00 O ATOM 840 CB ASN A 111 -3.001 -7.356 6.841 1.00 0.00 C ATOM 841 CG ASN A 111 -2.375 -8.745 6.772 1.00 0.00 C ATOM 842 OD1 ASN A 111 -1.400 -9.024 7.471 1.00 0.00 O ATOM 843 ND2 ASN A 111 -2.880 -9.639 5.967 1.00 0.00 N ATOM 0 H ASN A 111 -3.857 -5.128 7.444 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.452 -7.492 8.942 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -4.041 -7.400 6.517 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.484 -6.681 6.160 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -2.467 -10.570 5.916 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -3.687 -9.407 5.389 1.00 0.00 H new ATOM 850 N LEU A 112 -0.782 -5.673 8.281 1.00 0.00 N ATOM 851 CA LEU A 112 0.619 -5.480 8.637 1.00 0.00 C ATOM 852 C LEU A 112 0.749 -5.104 10.109 1.00 0.00 C ATOM 853 O LEU A 112 1.768 -5.377 10.743 1.00 0.00 O ATOM 854 CB LEU A 112 1.236 -4.386 7.768 1.00 0.00 C ATOM 855 CG LEU A 112 1.753 -4.996 6.464 1.00 0.00 C ATOM 856 CD1 LEU A 112 0.597 -5.666 5.720 1.00 0.00 C ATOM 857 CD2 LEU A 112 2.354 -3.896 5.589 1.00 0.00 C ATOM 0 H LEU A 112 -1.176 -4.938 7.694 1.00 0.00 H new ATOM 0 HA LEU A 112 1.150 -6.416 8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.494 -3.617 7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.052 -3.900 8.303 1.00 0.00 H new ATOM 0 HG LEU A 112 2.518 -5.739 6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.966 -6.101 4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.170 -6.451 6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -0.169 -4.924 5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.722 -4.331 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.590 -3.152 5.364 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.179 -3.420 6.119 1.00 0.00 H new ATOM 869 N GLY A 113 -0.286 -4.465 10.645 1.00 0.00 N ATOM 870 CA GLY A 113 -0.277 -4.051 12.044 1.00 0.00 C ATOM 871 C GLY A 113 -0.082 -2.544 12.165 1.00 0.00 C ATOM 872 O GLY A 113 -0.240 -1.973 13.243 1.00 0.00 O ATOM 0 H GLY A 113 -1.136 -4.224 10.136 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.215 -4.339 12.519 1.00 0.00 H new ATOM 0 HA3 GLY A 113 0.522 -4.569 12.575 1.00 0.00 H new ATOM 876 N GLU A 114 0.261 -1.906 11.050 1.00 0.00 N ATOM 877 CA GLU A 114 0.470 -0.463 11.042 1.00 0.00 C ATOM 878 C GLU A 114 -0.856 0.269 11.209 1.00 0.00 C ATOM 879 O GLU A 114 -1.869 -0.116 10.624 1.00 0.00 O ATOM 880 CB GLU A 114 1.127 -0.037 9.729 1.00 0.00 C ATOM 881 CG GLU A 114 1.467 1.454 9.786 1.00 0.00 C ATOM 882 CD GLU A 114 2.174 1.878 8.504 1.00 0.00 C ATOM 883 OE1 GLU A 114 2.165 1.101 7.562 1.00 0.00 O ATOM 884 OE2 GLU A 114 2.713 2.972 8.482 1.00 0.00 O ATOM 0 H GLU A 114 0.399 -2.361 10.148 1.00 0.00 H new ATOM 0 HA GLU A 114 1.124 -0.205 11.875 1.00 0.00 H new ATOM 0 HB2 GLU A 114 2.032 -0.620 9.557 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.456 -0.236 8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 114 0.556 2.038 9.919 1.00 0.00 H new ATOM 0 HG3 GLU A 114 2.104 1.657 10.647 1.00 0.00 H new ATOM 891 N LYS A 115 -0.847 1.328 12.015 1.00 0.00 N ATOM 892 CA LYS A 115 -2.056 2.108 12.251 1.00 0.00 C ATOM 893 C LYS A 115 -1.849 3.558 11.833 1.00 0.00 C ATOM 894 O LYS A 115 -1.066 4.286 12.445 1.00 0.00 O ATOM 895 CB LYS A 115 -2.432 2.052 13.734 1.00 0.00 C ATOM 896 CG LYS A 115 -2.850 0.626 14.100 1.00 0.00 C ATOM 897 CD LYS A 115 -3.415 0.610 15.522 1.00 0.00 C ATOM 898 CE LYS A 115 -2.285 0.843 16.526 1.00 0.00 C ATOM 899 NZ LYS A 115 -2.747 0.467 17.892 1.00 0.00 N ATOM 0 H LYS A 115 -0.022 1.663 12.512 1.00 0.00 H new ATOM 0 HA LYS A 115 -2.862 1.682 11.654 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -1.586 2.363 14.347 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -3.247 2.746 13.940 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -3.598 0.263 13.396 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -1.994 -0.045 14.030 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.176 1.383 15.630 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.900 -0.346 15.721 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -1.412 0.251 16.250 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -1.979 1.889 16.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.978 0.626 18.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.568 1.050 18.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -3.018 -0.537 17.903 1.00 0.00 H new ATOM 913 N LEU A 116 -2.555 3.975 10.786 1.00 0.00 N ATOM 914 CA LEU A 116 -2.438 5.343 10.292 1.00 0.00 C ATOM 915 C LEU A 116 -3.751 6.096 10.493 1.00 0.00 C ATOM 916 O LEU A 116 -4.815 5.487 10.606 1.00 0.00 O ATOM 917 CB LEU A 116 -2.076 5.334 8.807 1.00 0.00 C ATOM 918 CG LEU A 116 -0.824 4.480 8.593 1.00 0.00 C ATOM 919 CD1 LEU A 116 -0.485 4.437 7.102 1.00 0.00 C ATOM 920 CD2 LEU A 116 0.349 5.090 9.365 1.00 0.00 C ATOM 0 H LEU A 116 -3.210 3.390 10.267 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.651 5.847 10.853 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.905 4.936 8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.899 6.352 8.458 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.009 3.468 8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.407 3.829 6.949 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.319 4.002 6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.300 5.449 6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.241 4.482 9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.534 6.102 9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.108 5.121 10.428 1.00 0.00 H new ATOM 932 N THR A 117 -3.666 7.422 10.535 1.00 0.00 N ATOM 933 CA THR A 117 -4.853 8.248 10.722 1.00 0.00 C ATOM 934 C THR A 117 -5.650 8.342 9.423 1.00 0.00 C ATOM 935 O THR A 117 -5.169 7.951 8.360 1.00 0.00 O ATOM 936 CB THR A 117 -4.448 9.651 11.176 1.00 0.00 C ATOM 937 OG1 THR A 117 -4.006 10.401 10.052 1.00 0.00 O ATOM 938 CG2 THR A 117 -3.317 9.551 12.201 1.00 0.00 C ATOM 0 H THR A 117 -2.795 7.944 10.443 1.00 0.00 H new ATOM 0 HA THR A 117 -5.477 7.786 11.487 1.00 0.00 H new ATOM 0 HB THR A 117 -5.305 10.148 11.631 1.00 0.00 H new ATOM 0 HG1 THR A 117 -4.666 11.094 9.841 1.00 0.00 H new ATOM 0 HG21 THR A 117 -3.029 10.551 12.524 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.656 8.975 13.062 1.00 0.00 H new ATOM 0 HG23 THR A 117 -2.459 9.055 11.748 1.00 0.00 H new ATOM 946 N ASP A 118 -6.871 8.858 9.520 1.00 0.00 N ATOM 947 CA ASP A 118 -7.729 8.989 8.349 1.00 0.00 C ATOM 948 C ASP A 118 -7.109 9.937 7.330 1.00 0.00 C ATOM 949 O ASP A 118 -7.173 9.699 6.124 1.00 0.00 O ATOM 950 CB ASP A 118 -9.106 9.510 8.765 1.00 0.00 C ATOM 951 CG ASP A 118 -9.888 8.411 9.477 1.00 0.00 C ATOM 952 OD1 ASP A 118 -9.462 7.269 9.409 1.00 0.00 O ATOM 953 OD2 ASP A 118 -10.902 8.727 10.077 1.00 0.00 O ATOM 0 H ASP A 118 -7.286 9.190 10.391 1.00 0.00 H new ATOM 0 HA ASP A 118 -7.837 8.006 7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -8.994 10.372 9.423 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -9.656 9.848 7.887 1.00 0.00 H new ATOM 958 N GLU A 119 -6.509 11.015 7.824 1.00 0.00 N ATOM 959 CA GLU A 119 -5.881 11.996 6.946 1.00 0.00 C ATOM 960 C GLU A 119 -4.676 11.389 6.237 1.00 0.00 C ATOM 961 O GLU A 119 -4.407 11.694 5.075 1.00 0.00 O ATOM 962 CB GLU A 119 -5.436 13.217 7.760 1.00 0.00 C ATOM 963 CG GLU A 119 -6.660 13.865 8.410 1.00 0.00 C ATOM 964 CD GLU A 119 -7.010 13.137 9.704 1.00 0.00 C ATOM 965 OE1 GLU A 119 -6.369 12.140 9.992 1.00 0.00 O ATOM 966 OE2 GLU A 119 -7.902 13.596 10.397 1.00 0.00 O ATOM 0 H GLU A 119 -6.444 11.231 8.819 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.611 12.304 6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -4.720 12.917 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -4.930 13.935 7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -6.458 14.916 8.617 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.507 13.832 7.724 1.00 0.00 H new ATOM 973 N GLU A 120 -3.953 10.527 6.945 1.00 0.00 N ATOM 974 CA GLU A 120 -2.775 9.881 6.373 1.00 0.00 C ATOM 975 C GLU A 120 -3.171 8.974 5.214 1.00 0.00 C ATOM 976 O GLU A 120 -2.455 8.877 4.217 1.00 0.00 O ATOM 977 CB GLU A 120 -2.058 9.062 7.446 1.00 0.00 C ATOM 978 CG GLU A 120 -1.359 10.003 8.429 1.00 0.00 C ATOM 979 CD GLU A 120 -0.196 10.708 7.739 1.00 0.00 C ATOM 980 OE1 GLU A 120 0.357 10.132 6.816 1.00 0.00 O ATOM 981 OE2 GLU A 120 0.124 11.814 8.141 1.00 0.00 O ATOM 0 H GLU A 120 -4.159 10.261 7.908 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.104 10.654 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.773 8.433 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.329 8.397 6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -2.068 10.739 8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.995 9.440 9.288 1.00 0.00 H new ATOM 988 N VAL A 121 -4.315 8.312 5.351 1.00 0.00 N ATOM 989 CA VAL A 121 -4.798 7.419 4.305 1.00 0.00 C ATOM 990 C VAL A 121 -5.036 8.193 3.010 1.00 0.00 C ATOM 991 O VAL A 121 -4.642 7.749 1.932 1.00 0.00 O ATOM 992 CB VAL A 121 -6.103 6.753 4.749 1.00 0.00 C ATOM 993 CG1 VAL A 121 -6.714 5.989 3.573 1.00 0.00 C ATOM 994 CG2 VAL A 121 -5.811 5.778 5.892 1.00 0.00 C ATOM 0 H VAL A 121 -4.921 8.376 6.169 1.00 0.00 H new ATOM 0 HA VAL A 121 -4.042 6.655 4.127 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.803 7.516 5.088 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -7.643 5.515 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.920 6.682 2.757 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.015 5.225 3.233 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.739 5.302 6.210 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -5.111 5.016 5.550 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -5.375 6.321 6.731 1.00 0.00 H new ATOM 1004 N ASP A 122 -5.682 9.347 3.127 1.00 0.00 N ATOM 1005 CA ASP A 122 -5.965 10.170 1.958 1.00 0.00 C ATOM 1006 C ASP A 122 -4.672 10.563 1.250 1.00 0.00 C ATOM 1007 O ASP A 122 -4.552 10.417 0.033 1.00 0.00 O ATOM 1008 CB ASP A 122 -6.718 11.436 2.381 1.00 0.00 C ATOM 1009 CG ASP A 122 -7.219 12.181 1.149 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -6.844 11.796 0.054 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -7.972 13.127 1.318 1.00 0.00 O ATOM 0 H ASP A 122 -6.017 9.731 4.011 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.581 9.589 1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.558 11.172 3.023 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -6.062 12.082 2.965 1.00 0.00 H new ATOM 1016 N GLU A 123 -3.707 11.054 2.019 1.00 0.00 N ATOM 1017 CA GLU A 123 -2.429 11.468 1.452 1.00 0.00 C ATOM 1018 C GLU A 123 -1.755 10.302 0.738 1.00 0.00 C ATOM 1019 O GLU A 123 -1.197 10.466 -0.347 1.00 0.00 O ATOM 1020 CB GLU A 123 -1.510 11.989 2.561 1.00 0.00 C ATOM 1021 CG GLU A 123 -0.227 12.545 1.942 1.00 0.00 C ATOM 1022 CD GLU A 123 0.683 13.097 3.034 1.00 0.00 C ATOM 1023 OE1 GLU A 123 1.374 12.308 3.657 1.00 0.00 O ATOM 1024 OE2 GLU A 123 0.673 14.301 3.233 1.00 0.00 O ATOM 0 H GLU A 123 -3.784 11.175 3.029 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.615 12.263 0.729 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -2.017 12.766 3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -1.272 11.185 3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 123 0.289 11.760 1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -0.470 13.332 1.227 1.00 0.00 H new ATOM 1031 N MET A 124 -1.815 9.125 1.351 1.00 0.00 N ATOM 1032 CA MET A 124 -1.204 7.938 0.765 1.00 0.00 C ATOM 1033 C MET A 124 -1.861 7.604 -0.571 1.00 0.00 C ATOM 1034 O MET A 124 -1.182 7.260 -1.539 1.00 0.00 O ATOM 1035 CB MET A 124 -1.348 6.750 1.719 1.00 0.00 C ATOM 1036 CG MET A 124 -0.346 6.893 2.867 1.00 0.00 C ATOM 1037 SD MET A 124 -0.558 5.520 4.027 1.00 0.00 S ATOM 1038 CE MET A 124 0.452 4.311 3.137 1.00 0.00 C ATOM 0 H MET A 124 -2.277 8.968 2.247 1.00 0.00 H new ATOM 0 HA MET A 124 -0.146 8.141 0.597 1.00 0.00 H new ATOM 0 HB2 MET A 124 -2.364 6.707 2.112 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.173 5.817 1.184 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.672 6.900 2.477 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.497 7.843 3.380 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.578 3.420 3.751 1.00 0.00 H new ATOM 0 HE2 MET A 124 -0.042 4.041 2.203 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.429 4.743 2.919 1.00 0.00 H new ATOM 1048 N ILE A 125 -3.185 7.699 -0.614 1.00 0.00 N ATOM 1049 CA ILE A 125 -3.917 7.413 -1.838 1.00 0.00 C ATOM 1050 C ILE A 125 -3.635 8.474 -2.899 1.00 0.00 C ATOM 1051 O ILE A 125 -3.404 8.156 -4.062 1.00 0.00 O ATOM 1052 CB ILE A 125 -5.423 7.373 -1.548 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -5.729 6.188 -0.629 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -6.193 7.209 -2.860 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -7.177 6.281 -0.143 1.00 0.00 C ATOM 0 H ILE A 125 -3.768 7.970 0.178 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.588 6.444 -2.214 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.725 8.302 -1.064 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -5.573 5.250 -1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -5.048 6.188 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.263 7.181 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -5.973 8.049 -3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -5.893 6.280 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -7.396 5.437 0.512 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -7.317 7.212 0.406 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -7.850 6.260 -1.000 1.00 0.00 H new ATOM 1067 N ARG A 126 -3.660 9.735 -2.483 1.00 0.00 N ATOM 1068 CA ARG A 126 -3.444 10.833 -3.415 1.00 0.00 C ATOM 1069 C ARG A 126 -2.046 10.779 -4.015 1.00 0.00 C ATOM 1070 O ARG A 126 -1.876 10.875 -5.229 1.00 0.00 O ATOM 1071 CB ARG A 126 -3.638 12.176 -2.694 1.00 0.00 C ATOM 1072 CG ARG A 126 -3.573 13.318 -3.710 1.00 0.00 C ATOM 1073 CD ARG A 126 -3.712 14.657 -2.983 1.00 0.00 C ATOM 1074 NE ARG A 126 -2.547 14.895 -2.139 1.00 0.00 N ATOM 1075 CZ ARG A 126 -2.468 15.973 -1.365 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -3.377 16.191 -0.455 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -1.481 16.814 -1.517 1.00 0.00 N ATOM 0 H ARG A 126 -3.826 10.020 -1.518 1.00 0.00 H new ATOM 0 HA ARG A 126 -4.171 10.738 -4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -4.599 12.188 -2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -2.867 12.307 -1.934 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -2.628 13.283 -4.252 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -4.368 13.208 -4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.816 15.464 -3.708 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.617 14.657 -2.375 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.780 14.223 -2.143 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -4.149 15.534 -0.337 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.316 17.018 0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -0.771 16.644 -2.229 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -1.420 17.641 -0.923 1.00 0.00 H new ATOM 1091 N GLU A 127 -1.046 10.618 -3.153 1.00 0.00 N ATOM 1092 CA GLU A 127 0.339 10.576 -3.605 1.00 0.00 C ATOM 1093 C GLU A 127 0.603 9.321 -4.424 1.00 0.00 C ATOM 1094 O GLU A 127 1.402 9.332 -5.358 1.00 0.00 O ATOM 1095 CB GLU A 127 1.282 10.619 -2.400 1.00 0.00 C ATOM 1096 CG GLU A 127 1.246 9.271 -1.677 1.00 0.00 C ATOM 1097 CD GLU A 127 1.998 9.365 -0.356 1.00 0.00 C ATOM 1098 OE1 GLU A 127 2.387 10.464 0.003 1.00 0.00 O ATOM 1099 OE2 GLU A 127 2.174 8.338 0.278 1.00 0.00 O ATOM 0 H GLU A 127 -1.168 10.515 -2.146 1.00 0.00 H new ATOM 0 HA GLU A 127 0.521 11.445 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 127 2.298 10.841 -2.727 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.984 11.417 -1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.213 8.974 -1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.693 8.501 -2.305 1.00 0.00 H new ATOM 1106 N ALA A 128 -0.068 8.238 -4.056 1.00 0.00 N ATOM 1107 CA ALA A 128 0.109 6.967 -4.758 1.00 0.00 C ATOM 1108 C ALA A 128 -0.734 6.933 -6.028 1.00 0.00 C ATOM 1109 O ALA A 128 -0.384 6.263 -6.999 1.00 0.00 O ATOM 1110 CB ALA A 128 -0.293 5.805 -3.846 1.00 0.00 C ATOM 0 H ALA A 128 -0.734 8.210 -3.284 1.00 0.00 H new ATOM 0 HA ALA A 128 1.160 6.869 -5.030 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -0.158 4.862 -4.377 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.331 5.811 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -1.339 5.913 -3.559 1.00 0.00 H new ATOM 1116 N ASP A 129 -1.845 7.663 -6.015 1.00 0.00 N ATOM 1117 CA ASP A 129 -2.733 7.708 -7.173 1.00 0.00 C ATOM 1118 C ASP A 129 -2.074 8.468 -8.320 1.00 0.00 C ATOM 1119 O ASP A 129 -1.868 9.679 -8.240 1.00 0.00 O ATOM 1120 CB ASP A 129 -4.048 8.389 -6.795 1.00 0.00 C ATOM 1121 CG ASP A 129 -4.997 8.382 -7.987 1.00 0.00 C ATOM 1122 OD1 ASP A 129 -4.570 7.981 -9.056 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -6.137 8.778 -7.811 1.00 0.00 O ATOM 0 H ASP A 129 -2.151 8.228 -5.222 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.934 6.687 -7.496 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -4.506 7.872 -5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -3.858 9.414 -6.476 1.00 0.00 H new ATOM 1128 N ILE A 130 -1.738 7.746 -9.384 1.00 0.00 N ATOM 1129 CA ILE A 130 -1.090 8.361 -10.533 1.00 0.00 C ATOM 1130 C ILE A 130 -2.039 9.299 -11.261 1.00 0.00 C ATOM 1131 O ILE A 130 -1.670 10.411 -11.634 1.00 0.00 O ATOM 1132 CB ILE A 130 -0.604 7.274 -11.500 1.00 0.00 C ATOM 1133 CG1 ILE A 130 0.390 6.358 -10.781 1.00 0.00 C ATOM 1134 CG2 ILE A 130 0.085 7.927 -12.701 1.00 0.00 C ATOM 1135 CD1 ILE A 130 0.658 5.120 -11.638 1.00 0.00 C ATOM 0 H ILE A 130 -1.902 6.743 -9.473 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.241 8.941 -10.172 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.457 6.689 -11.844 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.322 6.892 -10.593 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -0.009 6.062 -9.811 1.00 0.00 H new ATOM 0 HG21 ILE A 130 0.430 7.154 -13.387 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.621 8.580 -13.215 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.937 8.513 -12.357 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.366 4.469 -11.125 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -0.276 4.583 -11.803 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.075 5.425 -12.598 1.00 0.00 H new ATOM 1147 N ASP A 131 -3.273 8.843 -11.462 1.00 0.00 N ATOM 1148 CA ASP A 131 -4.266 9.637 -12.176 1.00 0.00 C ATOM 1149 C ASP A 131 -5.085 10.476 -11.209 1.00 0.00 C ATOM 1150 O ASP A 131 -6.097 11.068 -11.586 1.00 0.00 O ATOM 1151 CB ASP A 131 -5.193 8.716 -12.976 1.00 0.00 C ATOM 1152 CG ASP A 131 -5.881 7.732 -12.038 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -5.967 8.030 -10.859 1.00 0.00 O ATOM 1154 OD2 ASP A 131 -6.315 6.696 -12.512 1.00 0.00 O ATOM 0 H ASP A 131 -3.607 7.934 -11.142 1.00 0.00 H new ATOM 0 HA ASP A 131 -3.743 10.307 -12.858 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -5.939 9.308 -13.507 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.621 8.175 -13.729 1.00 0.00 H new ATOM 1159 N GLY A 132 -4.652 10.512 -9.953 1.00 0.00 N ATOM 1160 CA GLY A 132 -5.345 11.301 -8.941 1.00 0.00 C ATOM 1161 C GLY A 132 -6.855 11.169 -9.090 1.00 0.00 C ATOM 1162 O GLY A 132 -7.594 12.135 -8.897 1.00 0.00 O ATOM 0 H GLY A 132 -3.832 10.009 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -5.043 10.971 -7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -5.057 12.348 -9.030 1.00 0.00 H new ATOM 1166 N ASP A 133 -7.308 9.973 -9.446 1.00 0.00 N ATOM 1167 CA ASP A 133 -8.736 9.726 -9.616 1.00 0.00 C ATOM 1168 C ASP A 133 -9.393 9.434 -8.267 1.00 0.00 C ATOM 1169 O ASP A 133 -10.602 9.225 -8.188 1.00 0.00 O ATOM 1170 CB ASP A 133 -8.954 8.539 -10.556 1.00 0.00 C ATOM 1171 CG ASP A 133 -8.284 7.294 -9.991 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -7.631 7.410 -8.967 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -8.430 6.241 -10.590 1.00 0.00 O ATOM 0 H ASP A 133 -6.713 9.164 -9.622 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.191 10.618 -10.046 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -10.021 8.360 -10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.546 8.766 -11.541 1.00 0.00 H new ATOM 1178 N GLY A 134 -8.585 9.422 -7.210 1.00 0.00 N ATOM 1179 CA GLY A 134 -9.099 9.162 -5.873 1.00 0.00 C ATOM 1180 C GLY A 134 -9.419 7.685 -5.689 1.00 0.00 C ATOM 1181 O GLY A 134 -9.693 7.231 -4.578 1.00 0.00 O ATOM 0 H GLY A 134 -7.580 9.588 -7.255 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -8.365 9.474 -5.130 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -9.997 9.756 -5.703 1.00 0.00 H new ATOM 1185 N GLN A 135 -9.381 6.935 -6.787 1.00 0.00 N ATOM 1186 CA GLN A 135 -9.668 5.505 -6.736 1.00 0.00 C ATOM 1187 C GLN A 135 -8.599 4.720 -7.485 1.00 0.00 C ATOM 1188 O GLN A 135 -8.073 5.176 -8.500 1.00 0.00 O ATOM 1189 CB GLN A 135 -11.037 5.224 -7.352 1.00 0.00 C ATOM 1190 CG GLN A 135 -12.125 5.897 -6.511 1.00 0.00 C ATOM 1191 CD GLN A 135 -12.221 5.222 -5.147 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -11.784 5.783 -4.143 1.00 0.00 O ATOM 1193 NE2 GLN A 135 -12.771 4.041 -5.051 1.00 0.00 N ATOM 0 H GLN A 135 -9.156 7.290 -7.716 1.00 0.00 H new ATOM 0 HA GLN A 135 -9.670 5.190 -5.692 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -11.070 5.598 -8.375 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -11.212 4.149 -7.399 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -11.898 6.956 -6.387 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -13.084 5.835 -7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -13.133 3.578 -5.885 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -12.839 3.582 -4.142 1.00 0.00 H new ATOM 1202 N VAL A 136 -8.280 3.531 -6.980 1.00 0.00 N ATOM 1203 CA VAL A 136 -7.264 2.693 -7.608 1.00 0.00 C ATOM 1204 C VAL A 136 -7.916 1.600 -8.445 1.00 0.00 C ATOM 1205 O VAL A 136 -8.676 0.779 -7.931 1.00 0.00 O ATOM 1206 CB VAL A 136 -6.377 2.056 -6.535 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -5.080 1.559 -7.173 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -6.051 3.097 -5.461 1.00 0.00 C ATOM 0 H VAL A 136 -8.706 3.129 -6.145 1.00 0.00 H new ATOM 0 HA VAL A 136 -6.654 3.319 -8.259 1.00 0.00 H new ATOM 0 HB VAL A 136 -6.902 1.216 -6.081 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.449 1.106 -6.409 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -5.312 0.818 -7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -4.553 2.398 -7.628 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -5.419 2.645 -4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -5.526 3.937 -5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -6.976 3.451 -5.005 1.00 0.00 H new ATOM 1218 N ASN A 137 -7.613 1.593 -9.739 1.00 0.00 N ATOM 1219 CA ASN A 137 -8.177 0.594 -10.642 1.00 0.00 C ATOM 1220 C ASN A 137 -7.216 -0.578 -10.812 1.00 0.00 C ATOM 1221 O ASN A 137 -6.079 -0.533 -10.345 1.00 0.00 O ATOM 1222 CB ASN A 137 -8.463 1.226 -12.005 1.00 0.00 C ATOM 1223 CG ASN A 137 -7.301 2.124 -12.418 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -6.557 1.793 -13.340 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -7.102 3.248 -11.786 1.00 0.00 N ATOM 0 H ASN A 137 -6.985 2.262 -10.184 1.00 0.00 H new ATOM 0 HA ASN A 137 -9.108 0.225 -10.211 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -8.614 0.447 -12.752 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -9.384 1.807 -11.960 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -6.328 3.855 -12.056 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -7.721 3.520 -11.022 1.00 0.00 H new ATOM 1232 N TYR A 138 -7.683 -1.626 -11.481 1.00 0.00 N ATOM 1233 CA TYR A 138 -6.859 -2.807 -11.703 1.00 0.00 C ATOM 1234 C TYR A 138 -5.642 -2.462 -12.554 1.00 0.00 C ATOM 1235 O TYR A 138 -4.530 -2.913 -12.280 1.00 0.00 O ATOM 1236 CB TYR A 138 -7.680 -3.896 -12.399 1.00 0.00 C ATOM 1237 CG TYR A 138 -6.817 -5.115 -12.619 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -6.593 -6.011 -11.566 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -6.242 -5.350 -13.873 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -5.793 -7.142 -11.769 1.00 0.00 C ATOM 1241 CE2 TYR A 138 -5.443 -6.482 -14.075 1.00 0.00 C ATOM 1242 CZ TYR A 138 -5.218 -7.378 -13.024 1.00 0.00 C ATOM 1243 OH TYR A 138 -4.430 -8.492 -13.223 1.00 0.00 O ATOM 0 H TYR A 138 -8.622 -1.682 -11.877 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.518 -3.173 -10.735 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -8.547 -4.156 -11.792 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -8.058 -3.528 -13.353 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -7.037 -5.830 -10.598 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -6.414 -4.659 -14.685 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.619 -7.833 -10.957 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -5.000 -6.664 -15.043 1.00 0.00 H new ATOM 0 HH TYR A 138 -4.111 -8.506 -14.149 1.00 0.00 H new ATOM 1253 N GLU A 139 -5.862 -1.661 -13.592 1.00 0.00 N ATOM 1254 CA GLU A 139 -4.778 -1.274 -14.488 1.00 0.00 C ATOM 1255 C GLU A 139 -3.727 -0.459 -13.742 1.00 0.00 C ATOM 1256 O GLU A 139 -2.528 -0.693 -13.887 1.00 0.00 O ATOM 1257 CB GLU A 139 -5.334 -0.449 -15.652 1.00 0.00 C ATOM 1258 CG GLU A 139 -6.358 -1.282 -16.425 1.00 0.00 C ATOM 1259 CD GLU A 139 -5.668 -2.454 -17.114 1.00 0.00 C ATOM 1260 OE1 GLU A 139 -4.460 -2.390 -17.280 1.00 0.00 O ATOM 1261 OE2 GLU A 139 -6.355 -3.398 -17.466 1.00 0.00 O ATOM 0 H GLU A 139 -6.773 -1.270 -13.832 1.00 0.00 H new ATOM 0 HA GLU A 139 -4.310 -2.180 -14.873 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -5.800 0.462 -15.276 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -4.524 -0.143 -16.314 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -7.126 -1.651 -15.745 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -6.860 -0.659 -17.165 1.00 0.00 H new ATOM 1268 N GLU A 140 -4.187 0.498 -12.943 1.00 0.00 N ATOM 1269 CA GLU A 140 -3.276 1.342 -12.178 1.00 0.00 C ATOM 1270 C GLU A 140 -2.705 0.576 -10.989 1.00 0.00 C ATOM 1271 O GLU A 140 -1.547 0.760 -10.618 1.00 0.00 O ATOM 1272 CB GLU A 140 -4.012 2.589 -11.681 1.00 0.00 C ATOM 1273 CG GLU A 140 -3.001 3.701 -11.393 1.00 0.00 C ATOM 1274 CD GLU A 140 -3.644 4.780 -10.529 1.00 0.00 C ATOM 1275 OE1 GLU A 140 -4.091 4.453 -9.443 1.00 0.00 O ATOM 1276 OE2 GLU A 140 -3.680 5.918 -10.968 1.00 0.00 O ATOM 0 H GLU A 140 -5.176 0.708 -12.809 1.00 0.00 H new ATOM 0 HA GLU A 140 -2.455 1.641 -12.829 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.731 2.922 -12.430 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -4.577 2.355 -10.779 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -2.129 3.288 -10.885 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.649 4.135 -12.329 1.00 0.00 H new ATOM 1283 N PHE A 141 -3.530 -0.280 -10.393 1.00 0.00 N ATOM 1284 CA PHE A 141 -3.095 -1.066 -9.246 1.00 0.00 C ATOM 1285 C PHE A 141 -1.927 -1.971 -9.624 1.00 0.00 C ATOM 1286 O PHE A 141 -0.900 -1.988 -8.945 1.00 0.00 O ATOM 1287 CB PHE A 141 -4.256 -1.923 -8.732 1.00 0.00 C ATOM 1288 CG PHE A 141 -3.772 -2.802 -7.603 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -3.355 -2.227 -6.398 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -3.742 -4.193 -7.763 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -2.906 -3.042 -5.352 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -3.295 -5.008 -6.717 1.00 0.00 C ATOM 1293 CZ PHE A 141 -2.876 -4.433 -5.511 1.00 0.00 C ATOM 0 H PHE A 141 -4.494 -0.445 -10.683 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.770 -0.380 -8.464 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -5.069 -1.284 -8.387 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -4.654 -2.537 -9.540 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.379 -1.154 -6.275 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -4.064 -4.637 -8.694 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.583 -2.598 -4.422 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -3.273 -6.081 -6.840 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.530 -5.062 -4.704 1.00 0.00 H new ATOM 1303 N VAL A 142 -2.086 -2.709 -10.717 1.00 0.00 N ATOM 1304 CA VAL A 142 -1.041 -3.621 -11.164 1.00 0.00 C ATOM 1305 C VAL A 142 0.234 -2.851 -11.485 1.00 0.00 C ATOM 1306 O VAL A 142 1.325 -3.231 -11.059 1.00 0.00 O ATOM 1307 CB VAL A 142 -1.508 -4.377 -12.413 1.00 0.00 C ATOM 1308 CG1 VAL A 142 -0.346 -5.189 -12.986 1.00 0.00 C ATOM 1309 CG2 VAL A 142 -2.653 -5.321 -12.036 1.00 0.00 C ATOM 0 H VAL A 142 -2.920 -2.694 -11.304 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.835 -4.332 -10.364 1.00 0.00 H new ATOM 0 HB VAL A 142 -1.853 -3.664 -13.161 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -0.680 -5.726 -13.874 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.470 -4.518 -13.253 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.002 -5.903 -12.240 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.987 -5.860 -12.923 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -2.306 -6.033 -11.288 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -3.482 -4.743 -11.629 1.00 0.00 H new ATOM 1319 N GLN A 143 0.089 -1.777 -12.240 1.00 0.00 N ATOM 1320 CA GLN A 143 1.242 -0.954 -12.620 1.00 0.00 C ATOM 1321 C GLN A 143 1.827 -0.245 -11.406 1.00 0.00 C ATOM 1322 O GLN A 143 3.034 -0.283 -11.172 1.00 0.00 O ATOM 1323 CB GLN A 143 0.829 0.079 -13.669 1.00 0.00 C ATOM 1324 CG GLN A 143 0.467 -0.631 -14.975 1.00 0.00 C ATOM 1325 CD GLN A 143 0.047 0.392 -16.025 1.00 0.00 C ATOM 1326 OE1 GLN A 143 0.064 1.594 -15.764 1.00 0.00 O ATOM 1327 NE2 GLN A 143 -0.331 -0.017 -17.206 1.00 0.00 N ATOM 0 H GLN A 143 -0.806 -1.449 -12.604 1.00 0.00 H new ATOM 0 HA GLN A 143 2.004 -1.611 -13.040 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -0.023 0.657 -13.309 1.00 0.00 H new ATOM 0 HB3 GLN A 143 1.643 0.784 -13.840 1.00 0.00 H new ATOM 0 HG2 GLN A 143 1.321 -1.205 -15.335 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -0.343 -1.340 -14.801 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -0.344 -1.014 -17.420 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -0.613 0.661 -17.914 1.00 0.00 H new ATOM 1336 N MET A 144 0.960 0.396 -10.629 1.00 0.00 N ATOM 1337 CA MET A 144 1.397 1.108 -9.434 1.00 0.00 C ATOM 1338 C MET A 144 2.117 0.155 -8.484 1.00 0.00 C ATOM 1339 O MET A 144 3.003 0.564 -7.732 1.00 0.00 O ATOM 1340 CB MET A 144 0.194 1.732 -8.726 1.00 0.00 C ATOM 1341 CG MET A 144 0.676 2.559 -7.532 1.00 0.00 C ATOM 1342 SD MET A 144 -0.743 3.333 -6.721 1.00 0.00 S ATOM 1343 CE MET A 144 -1.170 1.947 -5.638 1.00 0.00 C ATOM 0 H MET A 144 -0.044 0.437 -10.804 1.00 0.00 H new ATOM 0 HA MET A 144 2.086 1.898 -9.732 1.00 0.00 H new ATOM 0 HB2 MET A 144 -0.362 2.364 -9.419 1.00 0.00 H new ATOM 0 HB3 MET A 144 -0.488 0.951 -8.389 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.209 1.922 -6.826 1.00 0.00 H new ATOM 0 HG3 MET A 144 1.379 3.323 -7.865 1.00 0.00 H new ATOM 0 HE1 MET A 144 -2.038 2.211 -5.034 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.402 1.071 -6.243 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.327 1.723 -4.984 1.00 0.00 H new ATOM 1353 N MET A 145 1.719 -1.112 -8.510 1.00 0.00 N ATOM 1354 CA MET A 145 2.336 -2.111 -7.648 1.00 0.00 C ATOM 1355 C MET A 145 3.791 -2.343 -8.044 1.00 0.00 C ATOM 1356 O MET A 145 4.677 -2.391 -7.191 1.00 0.00 O ATOM 1357 CB MET A 145 1.561 -3.430 -7.741 1.00 0.00 C ATOM 1358 CG MET A 145 2.469 -4.593 -7.336 1.00 0.00 C ATOM 1359 SD MET A 145 3.319 -4.182 -5.788 1.00 0.00 S ATOM 1360 CE MET A 145 4.753 -5.259 -6.024 1.00 0.00 C ATOM 0 H MET A 145 0.978 -1.469 -9.113 1.00 0.00 H new ATOM 0 HA MET A 145 2.309 -1.743 -6.622 1.00 0.00 H new ATOM 0 HB2 MET A 145 0.687 -3.396 -7.091 1.00 0.00 H new ATOM 0 HB3 MET A 145 1.197 -3.578 -8.758 1.00 0.00 H new ATOM 0 HG2 MET A 145 1.880 -5.502 -7.210 1.00 0.00 H new ATOM 0 HG3 MET A 145 3.197 -4.791 -8.122 1.00 0.00 H new ATOM 0 HE1 MET A 145 4.972 -5.782 -5.093 1.00 0.00 H new ATOM 0 HE2 MET A 145 4.537 -5.986 -6.807 1.00 0.00 H new ATOM 0 HE3 MET A 145 5.615 -4.659 -6.314 1.00 0.00 H new ATOM 1370 N THR A 146 4.027 -2.499 -9.343 1.00 0.00 N ATOM 1371 CA THR A 146 5.375 -2.746 -9.840 1.00 0.00 C ATOM 1372 C THR A 146 6.018 -1.449 -10.319 1.00 0.00 C ATOM 1373 O THR A 146 7.102 -1.461 -10.900 1.00 0.00 O ATOM 1374 CB THR A 146 5.331 -3.755 -10.990 1.00 0.00 C ATOM 1375 OG1 THR A 146 4.276 -4.681 -10.767 1.00 0.00 O ATOM 1376 CG2 THR A 146 6.662 -4.504 -11.069 1.00 0.00 C ATOM 0 H THR A 146 3.308 -2.459 -10.065 1.00 0.00 H new ATOM 0 HA THR A 146 5.973 -3.152 -9.024 1.00 0.00 H new ATOM 0 HB THR A 146 5.159 -3.227 -11.928 1.00 0.00 H new ATOM 0 HG1 THR A 146 4.246 -5.326 -11.504 1.00 0.00 H new ATOM 0 HG21 THR A 146 6.628 -5.222 -11.889 1.00 0.00 H new ATOM 0 HG22 THR A 146 7.470 -3.793 -11.243 1.00 0.00 H new ATOM 0 HG23 THR A 146 6.839 -5.032 -10.132 1.00 0.00 H new ATOM 1384 N ALA A 147 5.338 -0.334 -10.074 1.00 0.00 N ATOM 1385 CA ALA A 147 5.851 0.966 -10.486 1.00 0.00 C ATOM 1386 C ALA A 147 7.080 1.341 -9.667 1.00 0.00 C ATOM 1387 O ALA A 147 7.152 1.058 -8.471 1.00 0.00 O ATOM 1388 CB ALA A 147 4.772 2.035 -10.308 1.00 0.00 C ATOM 0 H ALA A 147 4.437 -0.304 -9.596 1.00 0.00 H new ATOM 0 HA ALA A 147 6.133 0.907 -11.537 1.00 0.00 H new ATOM 0 HB1 ALA A 147 5.164 3.003 -10.618 1.00 0.00 H new ATOM 0 HB2 ALA A 147 3.905 1.782 -10.918 1.00 0.00 H new ATOM 0 HB3 ALA A 147 4.476 2.082 -9.260 1.00 0.00 H new ATOM 1394 N LYS A 148 8.047 1.981 -10.316 1.00 0.00 N ATOM 1395 CA LYS A 148 9.270 2.393 -9.637 1.00 0.00 C ATOM 1396 C LYS A 148 9.172 3.849 -9.191 1.00 0.00 C ATOM 1397 O LYS A 148 8.115 4.431 -9.365 1.00 0.00 O ATOM 1398 CB LYS A 148 10.470 2.222 -10.570 1.00 0.00 C ATOM 1399 CG LYS A 148 10.267 3.074 -11.824 1.00 0.00 C ATOM 1400 CD LYS A 148 11.441 2.862 -12.782 1.00 0.00 C ATOM 1401 CE LYS A 148 11.245 3.725 -14.029 1.00 0.00 C ATOM 1402 NZ LYS A 148 12.383 3.508 -14.967 1.00 0.00 N ATOM 1403 OXT LYS A 148 10.157 4.360 -8.683 1.00 0.00 O ATOM 0 H LYS A 148 8.008 2.225 -11.306 1.00 0.00 H new ATOM 0 HA LYS A 148 9.403 1.764 -8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 148 11.386 2.519 -10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 148 10.584 1.173 -10.845 1.00 0.00 H new ATOM 0 HG2 LYS A 148 9.331 2.803 -12.313 1.00 0.00 H new ATOM 0 HG3 LYS A 148 10.191 4.127 -11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 148 12.378 3.123 -12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 148 11.511 1.811 -13.062 1.00 0.00 H new ATOM 0 HE2 LYS A 148 10.304 3.470 -14.517 1.00 0.00 H new ATOM 0 HE3 LYS A 148 11.185 4.777 -13.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 12.250 4.095 -15.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 13.274 3.772 -14.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 12.420 2.506 -15.242 1.00 0.00 H new TER 1417 LYS A 148 HETATM 1418 CA CA A 149 -14.031 -3.006 -3.736 1.00 0.00 CA HETATM 1419 CA CA A 150 -6.032 5.991 -9.780 1.00 0.00 CA