USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 828 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 109 HIS : +bothHN:sc= 1.23 K(o=1.4,f=-6.6!) USER MOD Set 1.2: A 111 HIS : no HE2:sc= 0.156 K(o=1.4,f=-2.7) USER MOD Set 2.1: A 108 HIS : no HD1:sc= 0.126 K(o=0.2,f=-2.5) USER MOD Set 2.2: A 110 HIS : no HE2:sc= 0.0781 K(o=0.2,f=-1.8) USER MOD Set 3.1: A 24 TYR OH : rot -76:sc= 1.99 USER MOD Set 3.2: A 62 CYS SG : rot 98:sc= -0.581 USER MOD Set 4.1: A 58 SER OG : rot 170:sc= 0 USER MOD Set 4.2: A 61 GLN : amide:sc=-0.00224 X(o=-0.0022,f=-0.22) USER MOD Set 5.1: A 54 ASN : amide:sc= 0.387 K(o=1.1,f=-7.9!) USER MOD Set 5.2: A 56 THR OG1 : rot -33:sc= 0.728 USER MOD Set 6.1: A 49 TYR OH : rot 169:sc= 1.27 USER MOD Set 6.2: A 106 HIS : no HD1:sc= 1.07 K(o=2.3,f=-4.6!) USER MOD Set 7.1: A 39 THR OG1 : rot 44:sc= 1.11 USER MOD Set 7.2: A 83 HIS : no HE2:sc= 0.916! C(o=2!,f=-13!) USER MOD Set 8.1: A 22 GLN : amide:sc= -0.0762 K(o=-0.34,f=-3.5!) USER MOD Set 8.2: A 88 CYS SG : rot 130:sc= -0.267 USER MOD Set 9.1: A 11 GLN : amide:sc= 0.628 K(o=1.6,f=-0.73) USER MOD Set 9.2: A 19 TYR OH : rot 78:sc= 0.954 USER MOD Set10.1: A 1 MET CE :methyl -167:sc=-0.00465 (180deg=-0.195) USER MOD Set10.2: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.0329 (180deg=-0.339) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.154 K(o=-0.15,f=-1.2) USER MOD Single : A 6 ASN : amide:sc= -0.0186 K(o=-0.019,f=-1.4!) USER MOD Single : A 8 LYS NZ :NH3+ 179:sc= 0.904 (180deg=0.899) USER MOD Single : A 9 ASN : amide:sc= -0.977 K(o=-0.98,f=-3.9!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc=-0.00533 X(o=-0.0053,f=-0.19) USER MOD Single : A 17 SER OG : rot 78:sc= 0.778 USER MOD Single : A 20 MET CE :methyl -155:sc=-0.00322 (180deg=-1.18) USER MOD Single : A 21 SER OG : rot -19:sc= 0.716 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.248 K(o=-0.25,f=-0.97) USER MOD Single : A 34 THR OG1 : rot 97:sc= 0.99 USER MOD Single : A 35 THR OG1 : rot -84:sc= 0.362 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 166:sc= 0.782 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot -164:sc= -1.74 USER MOD Single : A 55 SER OG : rot -49:sc= 0.605 USER MOD Single : A 66 THR OG1 : rot -105:sc= 0.806 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 0:sc= -0.142 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 0.909 (180deg=0.902) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.46) USER MOD Single : A 98 MET CE :methyl 168:sc= 0 (180deg=-0.104) USER MOD Single : A 107 HIS : no HE2:sc= 0.567 K(o=0.57,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.785 -2.504 0.059 1.00 0.00 N ATOM 2 CA MET A 1 -0.442 -3.956 0.122 1.00 0.00 C ATOM 3 C MET A 1 -1.553 -4.828 -0.493 1.00 0.00 C ATOM 4 O MET A 1 -1.282 -5.898 -1.040 1.00 0.00 O ATOM 5 CB MET A 1 -0.189 -4.380 1.567 1.00 0.00 C ATOM 6 CG MET A 1 1.022 -3.722 2.213 1.00 0.00 C ATOM 7 SD MET A 1 2.558 -4.078 1.337 1.00 0.00 S ATOM 8 CE MET A 1 2.765 -5.818 1.709 1.00 0.00 C ATOM 0 H1 MET A 1 0.087 -1.939 0.104 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.282 -2.303 -0.832 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.399 -2.257 0.861 1.00 0.00 H new ATOM 0 HA MET A 1 0.466 -4.105 -0.462 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.073 -4.148 2.161 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.059 -5.462 1.598 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.869 -2.643 2.247 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.109 -4.064 3.244 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.774 -6.130 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.607 -5.984 2.775 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.040 -6.400 1.140 1.00 0.00 H new ATOM 20 N SER A 2 -2.797 -4.360 -0.409 1.00 0.00 N ATOM 21 CA SER A 2 -3.967 -5.106 -0.913 1.00 0.00 C ATOM 22 C SER A 2 -3.947 -5.288 -2.442 1.00 0.00 C ATOM 23 O SER A 2 -4.582 -6.204 -2.973 1.00 0.00 O ATOM 24 CB SER A 2 -5.242 -4.401 -0.495 1.00 0.00 C ATOM 25 OG SER A 2 -5.376 -3.147 -1.107 1.00 0.00 O ATOM 0 H SER A 2 -3.030 -3.458 0.007 1.00 0.00 H new ATOM 0 HA SER A 2 -3.925 -6.103 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.100 -5.022 -0.751 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.249 -4.278 0.588 1.00 0.00 H new ATOM 0 HG SER A 2 -6.211 -2.727 -0.813 1.00 0.00 H new ATOM 31 N TRP A 3 -3.235 -4.412 -3.151 1.00 0.00 N ATOM 32 CA TRP A 3 -3.030 -4.580 -4.598 1.00 0.00 C ATOM 33 C TRP A 3 -2.417 -5.947 -4.950 1.00 0.00 C ATOM 34 O TRP A 3 -2.645 -6.470 -6.044 1.00 0.00 O ATOM 35 CB TRP A 3 -2.137 -3.459 -5.133 1.00 0.00 C ATOM 36 CG TRP A 3 -0.738 -3.501 -4.599 1.00 0.00 C ATOM 37 CD1 TRP A 3 -0.281 -2.904 -3.463 1.00 0.00 C ATOM 38 CD2 TRP A 3 0.385 -4.178 -5.178 1.00 0.00 C ATOM 39 NE1 TRP A 3 1.058 -3.164 -3.298 1.00 0.00 N ATOM 40 CE2 TRP A 3 1.490 -3.945 -4.339 1.00 0.00 C ATOM 41 CE3 TRP A 3 0.562 -4.958 -6.328 1.00 0.00 C ATOM 42 CZ2 TRP A 3 2.748 -4.460 -4.608 1.00 0.00 C ATOM 43 CZ3 TRP A 3 1.825 -5.474 -6.597 1.00 0.00 C ATOM 44 CH2 TRP A 3 2.885 -5.233 -5.761 1.00 0.00 C ATOM 0 H TRP A 3 -2.792 -3.583 -2.755 1.00 0.00 H new ATOM 0 HA TRP A 3 -4.011 -4.532 -5.070 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.104 -3.520 -6.221 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -2.585 -2.498 -4.881 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -0.884 -2.312 -2.790 1.00 0.00 H new ATOM 0 HE1 TRP A 3 1.636 -2.830 -2.527 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -0.266 -5.155 -6.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 3.586 -4.271 -3.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 1.974 -6.076 -7.481 1.00 0.00 H new ATOM 0 HH2 TRP A 3 3.851 -5.652 -6.002 1.00 0.00 H new ATOM 55 N MET A 4 -1.657 -6.532 -4.025 1.00 0.00 N ATOM 56 CA MET A 4 -1.079 -7.863 -4.251 1.00 0.00 C ATOM 57 C MET A 4 -2.202 -8.905 -4.393 1.00 0.00 C ATOM 58 O MET A 4 -2.202 -9.722 -5.321 1.00 0.00 O ATOM 59 CB MET A 4 -0.138 -8.239 -3.107 1.00 0.00 C ATOM 60 CG MET A 4 1.127 -7.397 -3.030 1.00 0.00 C ATOM 61 SD MET A 4 2.193 -7.868 -1.653 1.00 0.00 S ATOM 62 CE MET A 4 3.527 -6.688 -1.838 1.00 0.00 C ATOM 0 H MET A 4 -1.427 -6.115 -3.123 1.00 0.00 H new ATOM 0 HA MET A 4 -0.500 -7.844 -5.174 1.00 0.00 H new ATOM 0 HB2 MET A 4 -0.678 -8.149 -2.164 1.00 0.00 H new ATOM 0 HB3 MET A 4 0.144 -9.287 -3.214 1.00 0.00 H new ATOM 0 HG2 MET A 4 1.681 -7.495 -3.963 1.00 0.00 H new ATOM 0 HG3 MET A 4 0.854 -6.346 -2.930 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.269 -6.852 -1.056 1.00 0.00 H new ATOM 0 HE2 MET A 4 3.994 -6.817 -2.814 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.131 -5.676 -1.756 1.00 0.00 H new ATOM 72 N GLN A 5 -3.152 -8.877 -3.452 1.00 0.00 N ATOM 73 CA GLN A 5 -4.336 -9.744 -3.509 1.00 0.00 C ATOM 74 C GLN A 5 -5.186 -9.443 -4.752 1.00 0.00 C ATOM 75 O GLN A 5 -5.670 -10.356 -5.412 1.00 0.00 O ATOM 76 CB GLN A 5 -5.204 -9.558 -2.250 1.00 0.00 C ATOM 77 CG GLN A 5 -4.629 -10.199 -0.996 1.00 0.00 C ATOM 78 CD GLN A 5 -5.548 -10.081 0.214 1.00 0.00 C ATOM 79 OE1 GLN A 5 -6.346 -9.156 0.320 1.00 0.00 O ATOM 80 NE2 GLN A 5 -5.463 -11.032 1.123 1.00 0.00 N ATOM 0 H GLN A 5 -3.124 -8.262 -2.639 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.983 -10.774 -3.562 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.339 -8.492 -2.070 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -6.192 -9.977 -2.438 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.431 -11.253 -1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -3.672 -9.733 -0.764 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -4.789 -11.789 1.008 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.071 -11.011 1.942 1.00 0.00 H new ATOM 89 N ASN A 6 -5.336 -8.153 -5.061 1.00 0.00 N ATOM 90 CA ASN A 6 -6.151 -7.691 -6.199 1.00 0.00 C ATOM 91 C ASN A 6 -5.647 -8.242 -7.544 1.00 0.00 C ATOM 92 O ASN A 6 -6.430 -8.456 -8.469 1.00 0.00 O ATOM 93 CB ASN A 6 -6.209 -6.175 -6.251 1.00 0.00 C ATOM 94 CG ASN A 6 -7.071 -5.564 -5.183 1.00 0.00 C ATOM 95 OD1 ASN A 6 -7.942 -6.226 -4.606 1.00 0.00 O ATOM 96 ND2 ASN A 6 -6.889 -4.286 -4.971 1.00 0.00 N ATOM 0 H ASN A 6 -4.899 -7.397 -4.534 1.00 0.00 H new ATOM 0 HA ASN A 6 -7.156 -8.081 -6.036 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -5.198 -5.779 -6.159 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -6.584 -5.868 -7.227 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -7.480 -3.790 -4.304 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -6.156 -3.785 -5.473 1.00 0.00 H new ATOM 103 N LEU A 7 -4.342 -8.466 -7.648 1.00 0.00 N ATOM 104 CA LEU A 7 -3.761 -9.090 -8.843 1.00 0.00 C ATOM 105 C LEU A 7 -4.033 -10.604 -8.864 1.00 0.00 C ATOM 106 O LEU A 7 -4.573 -11.139 -9.830 1.00 0.00 O ATOM 107 CB LEU A 7 -2.254 -8.814 -8.905 1.00 0.00 C ATOM 108 CG LEU A 7 -1.869 -7.363 -9.225 1.00 0.00 C ATOM 109 CD1 LEU A 7 -0.362 -7.185 -9.103 1.00 0.00 C ATOM 110 CD2 LEU A 7 -2.344 -7.008 -10.625 1.00 0.00 C ATOM 0 H LEU A 7 -3.664 -8.228 -6.925 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.235 -8.652 -9.721 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.811 -9.088 -7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.812 -9.465 -9.659 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.350 -6.693 -8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.098 -6.153 -9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.049 -7.423 -8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.141 -7.852 -9.803 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.070 -5.978 -10.852 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.875 -7.675 -11.348 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.427 -7.116 -10.680 1.00 0.00 H new ATOM 122 N LYS A 8 -3.669 -11.277 -7.770 1.00 0.00 N ATOM 123 CA LYS A 8 -3.704 -12.745 -7.680 1.00 0.00 C ATOM 124 C LYS A 8 -5.135 -13.322 -7.465 1.00 0.00 C ATOM 125 O LYS A 8 -5.332 -14.534 -7.562 1.00 0.00 O ATOM 126 CB LYS A 8 -2.783 -13.209 -6.550 1.00 0.00 C ATOM 127 CG LYS A 8 -3.296 -12.895 -5.152 1.00 0.00 C ATOM 128 CD LYS A 8 -2.397 -13.501 -4.083 1.00 0.00 C ATOM 129 CE LYS A 8 -2.909 -13.187 -2.685 1.00 0.00 C ATOM 130 NZ LYS A 8 -2.146 -13.917 -1.637 1.00 0.00 N ATOM 0 H LYS A 8 -3.341 -10.822 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 8 -3.359 -13.127 -8.641 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.636 -14.286 -6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.806 -12.742 -6.679 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.349 -11.815 -5.016 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.309 -13.280 -5.039 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.344 -14.581 -4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.384 -13.116 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.838 -12.114 -2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.964 -13.452 -2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.515 -13.663 -0.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.248 -14.942 -1.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.141 -13.658 -1.696 1.00 0.00 H new ATOM 144 N ASN A 9 -6.126 -12.469 -7.167 1.00 0.00 N ATOM 145 CA ASN A 9 -7.504 -12.940 -6.932 1.00 0.00 C ATOM 146 C ASN A 9 -8.161 -13.438 -8.228 1.00 0.00 C ATOM 147 O ASN A 9 -9.195 -14.105 -8.193 1.00 0.00 O ATOM 148 CB ASN A 9 -8.360 -11.857 -6.301 1.00 0.00 C ATOM 149 CG ASN A 9 -8.115 -11.674 -4.828 1.00 0.00 C ATOM 150 OD1 ASN A 9 -7.481 -12.511 -4.175 1.00 0.00 O ATOM 151 ND2 ASN A 9 -8.683 -10.627 -4.287 1.00 0.00 N ATOM 0 H ASN A 9 -6.004 -11.460 -7.083 1.00 0.00 H new ATOM 0 HA ASN A 9 -7.436 -13.778 -6.238 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.171 -10.913 -6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.411 -12.099 -6.458 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -8.614 -10.472 -3.281 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -9.195 -9.966 -4.871 1.00 0.00 H new ATOM 158 N TYR A 10 -7.559 -13.097 -9.364 1.00 0.00 N ATOM 159 CA TYR A 10 -8.040 -13.565 -10.668 1.00 0.00 C ATOM 160 C TYR A 10 -6.901 -13.686 -11.687 1.00 0.00 C ATOM 161 O TYR A 10 -5.864 -13.032 -11.565 1.00 0.00 O ATOM 162 CB TYR A 10 -9.119 -12.622 -11.204 1.00 0.00 C ATOM 163 CG TYR A 10 -8.666 -11.186 -11.344 1.00 0.00 C ATOM 164 CD1 TYR A 10 -7.951 -10.771 -12.459 1.00 0.00 C ATOM 165 CD2 TYR A 10 -8.954 -10.250 -10.362 1.00 0.00 C ATOM 166 CE1 TYR A 10 -7.534 -9.460 -12.591 1.00 0.00 C ATOM 167 CE2 TYR A 10 -8.542 -8.937 -10.485 1.00 0.00 C ATOM 168 CZ TYR A 10 -7.832 -8.546 -11.602 1.00 0.00 C ATOM 169 OH TYR A 10 -7.420 -7.240 -11.729 1.00 0.00 O ATOM 0 H TYR A 10 -6.735 -12.497 -9.412 1.00 0.00 H new ATOM 0 HA TYR A 10 -8.464 -14.558 -10.522 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.453 -12.984 -12.177 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.981 -12.657 -10.538 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.717 -11.484 -13.236 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -9.510 -10.552 -9.487 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.978 -9.153 -13.464 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.774 -8.220 -9.711 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.712 -6.727 -10.947 1.00 0.00 H new ATOM 179 N GLN A 11 -7.110 -14.523 -12.699 1.00 0.00 N ATOM 180 CA GLN A 11 -6.160 -14.652 -13.804 1.00 0.00 C ATOM 181 C GLN A 11 -6.750 -14.073 -15.101 1.00 0.00 C ATOM 182 O GLN A 11 -7.387 -14.785 -15.881 1.00 0.00 O ATOM 183 CB GLN A 11 -5.780 -16.120 -14.013 1.00 0.00 C ATOM 184 CG GLN A 11 -4.772 -16.349 -15.126 1.00 0.00 C ATOM 185 CD GLN A 11 -3.489 -15.567 -14.916 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.903 -15.589 -13.831 1.00 0.00 O ATOM 187 NE2 GLN A 11 -3.046 -14.867 -15.954 1.00 0.00 N ATOM 0 H GLN A 11 -7.930 -15.124 -12.778 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.264 -14.087 -13.548 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.373 -16.514 -13.082 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.683 -16.690 -14.233 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.540 -17.412 -15.189 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.216 -16.063 -16.079 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.562 -14.877 -16.834 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.189 -14.319 -15.872 1.00 0.00 H new ATOM 196 N HIS A 12 -6.563 -12.771 -15.324 1.00 0.00 N ATOM 197 CA HIS A 12 -7.036 -12.134 -16.561 1.00 0.00 C ATOM 198 C HIS A 12 -5.887 -11.641 -17.458 1.00 0.00 C ATOM 199 O HIS A 12 -6.085 -11.417 -18.650 1.00 0.00 O ATOM 200 CB HIS A 12 -7.966 -10.963 -16.230 1.00 0.00 C ATOM 201 CG HIS A 12 -9.268 -11.382 -15.620 1.00 0.00 C ATOM 202 ND1 HIS A 12 -10.108 -10.497 -14.977 1.00 0.00 N ATOM 203 CD2 HIS A 12 -9.873 -12.591 -15.555 1.00 0.00 C ATOM 204 CE1 HIS A 12 -11.175 -11.145 -14.542 1.00 0.00 C ATOM 205 NE2 HIS A 12 -11.057 -12.415 -14.880 1.00 0.00 N ATOM 0 H HIS A 12 -6.093 -12.140 -14.674 1.00 0.00 H new ATOM 0 HA HIS A 12 -7.577 -12.898 -17.118 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -7.455 -10.287 -15.545 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -8.166 -10.401 -17.142 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.496 -13.519 -15.958 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -12.002 -10.709 -14.002 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.735 -13.148 -14.673 1.00 0.00 H new ATOM 210 N LEU A 13 -4.688 -11.480 -16.903 1.00 0.00 N ATOM 211 CA LEU A 13 -3.571 -10.926 -17.678 1.00 0.00 C ATOM 212 C LEU A 13 -2.310 -11.803 -17.550 1.00 0.00 C ATOM 213 O LEU A 13 -2.115 -12.470 -16.535 1.00 0.00 O ATOM 214 CB LEU A 13 -3.275 -9.492 -17.220 1.00 0.00 C ATOM 215 CG LEU A 13 -4.419 -8.491 -17.427 1.00 0.00 C ATOM 216 CD1 LEU A 13 -4.077 -7.163 -16.766 1.00 0.00 C ATOM 217 CD2 LEU A 13 -4.668 -8.303 -18.917 1.00 0.00 C ATOM 0 H LEU A 13 -4.463 -11.719 -15.937 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.860 -10.913 -18.729 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.018 -9.512 -16.161 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.396 -9.131 -17.755 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.328 -8.878 -16.966 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.895 -6.459 -16.919 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.925 -7.317 -15.698 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.165 -6.761 -17.208 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.481 -7.592 -19.063 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.764 -7.923 -19.392 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.938 -9.260 -19.364 1.00 0.00 H new ATOM 229 N ARG A 14 -1.471 -11.819 -18.586 1.00 0.00 N ATOM 230 CA ARG A 14 -0.180 -12.521 -18.530 1.00 0.00 C ATOM 231 C ARG A 14 0.917 -11.698 -17.831 1.00 0.00 C ATOM 232 O ARG A 14 2.081 -12.105 -17.833 1.00 0.00 O ATOM 233 CB ARG A 14 0.272 -12.974 -19.910 1.00 0.00 C ATOM 234 CG ARG A 14 -0.605 -14.037 -20.553 1.00 0.00 C ATOM 235 CD ARG A 14 -0.183 -14.434 -21.921 1.00 0.00 C ATOM 236 NE ARG A 14 -1.077 -15.374 -22.578 1.00 0.00 N ATOM 237 CZ ARG A 14 -0.933 -15.807 -23.845 1.00 0.00 C ATOM 238 NH1 ARG A 14 0.040 -15.360 -24.608 1.00 0.00 N ATOM 239 NH2 ARG A 14 -1.813 -16.677 -24.311 1.00 0.00 N ATOM 0 H ARG A 14 -1.658 -11.356 -19.475 1.00 0.00 H new ATOM 0 HA ARG A 14 -0.344 -13.409 -17.919 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.307 -12.106 -20.568 1.00 0.00 H new ATOM 0 HB3 ARG A 14 1.289 -13.359 -19.835 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -0.609 -14.921 -19.916 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.630 -13.669 -20.594 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.101 -13.538 -22.537 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.812 -14.875 -21.867 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.868 -15.730 -22.042 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.701 -14.674 -24.242 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.134 -15.699 -25.565 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.574 -17.001 -23.715 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.731 -17.024 -25.267 1.00 0.00 H new ATOM 253 N ASP A 15 0.565 -10.569 -17.218 1.00 0.00 N ATOM 254 CA ASP A 15 1.570 -9.725 -16.546 1.00 0.00 C ATOM 255 C ASP A 15 2.259 -10.448 -15.374 1.00 0.00 C ATOM 256 O ASP A 15 1.614 -10.813 -14.397 1.00 0.00 O ATOM 257 CB ASP A 15 0.923 -8.431 -16.047 1.00 0.00 C ATOM 258 CG ASP A 15 1.905 -7.413 -15.485 1.00 0.00 C ATOM 259 OD1 ASP A 15 3.046 -7.760 -15.295 1.00 0.00 O ATOM 260 OD2 ASP A 15 1.550 -6.261 -15.397 1.00 0.00 O ATOM 0 H ASP A 15 -0.391 -10.216 -17.169 1.00 0.00 H new ATOM 0 HA ASP A 15 2.338 -9.495 -17.284 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.374 -7.973 -16.870 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.193 -8.678 -15.276 1.00 0.00 H new ATOM 265 N PRO A 16 3.603 -10.612 -15.433 1.00 0.00 N ATOM 266 CA PRO A 16 4.373 -11.261 -14.353 1.00 0.00 C ATOM 267 C PRO A 16 4.144 -10.601 -12.984 1.00 0.00 C ATOM 268 O PRO A 16 4.355 -11.220 -11.940 1.00 0.00 O ATOM 269 CB PRO A 16 5.829 -11.128 -14.811 1.00 0.00 C ATOM 270 CG PRO A 16 5.746 -11.056 -16.298 1.00 0.00 C ATOM 271 CD PRO A 16 4.490 -10.278 -16.590 1.00 0.00 C ATOM 0 HA PRO A 16 4.070 -12.297 -14.202 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.296 -10.235 -14.396 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.427 -11.980 -14.487 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.622 -10.560 -16.717 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.703 -12.052 -16.738 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.685 -9.207 -16.652 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.043 -10.576 -17.539 1.00 0.00 H new ATOM 279 N SER A 17 3.710 -9.338 -13.000 1.00 0.00 N ATOM 280 CA SER A 17 3.478 -8.569 -11.768 1.00 0.00 C ATOM 281 C SER A 17 2.533 -9.304 -10.801 1.00 0.00 C ATOM 282 O SER A 17 2.680 -9.198 -9.586 1.00 0.00 O ATOM 283 CB SER A 17 2.917 -7.202 -12.111 1.00 0.00 C ATOM 284 OG SER A 17 3.801 -6.453 -12.898 1.00 0.00 O ATOM 0 H SER A 17 3.510 -8.821 -13.856 1.00 0.00 H new ATOM 0 HA SER A 17 4.437 -8.454 -11.263 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.972 -7.321 -12.641 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.701 -6.658 -11.192 1.00 0.00 H new ATOM 0 HG SER A 17 3.762 -6.769 -13.825 1.00 0.00 H new ATOM 290 N GLU A 18 1.572 -10.052 -11.345 1.00 0.00 N ATOM 291 CA GLU A 18 0.635 -10.825 -10.521 1.00 0.00 C ATOM 292 C GLU A 18 1.400 -11.851 -9.651 1.00 0.00 C ATOM 293 O GLU A 18 1.011 -12.148 -8.514 1.00 0.00 O ATOM 294 CB GLU A 18 -0.397 -11.532 -11.402 1.00 0.00 C ATOM 295 CG GLU A 18 -1.338 -10.595 -12.145 1.00 0.00 C ATOM 296 CD GLU A 18 -2.204 -11.347 -13.117 1.00 0.00 C ATOM 297 OE1 GLU A 18 -2.032 -12.536 -13.239 1.00 0.00 O ATOM 298 OE2 GLU A 18 -3.112 -10.757 -13.653 1.00 0.00 O ATOM 0 H GLU A 18 1.420 -10.140 -12.350 1.00 0.00 H new ATOM 0 HA GLU A 18 0.108 -10.137 -9.860 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.128 -12.152 -12.129 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.989 -12.203 -10.780 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.967 -10.065 -11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.758 -9.842 -12.679 1.00 0.00 H new ATOM 305 N TYR A 19 2.519 -12.350 -10.175 1.00 0.00 N ATOM 306 CA TYR A 19 3.275 -13.426 -9.519 1.00 0.00 C ATOM 307 C TYR A 19 4.482 -12.866 -8.754 1.00 0.00 C ATOM 308 O TYR A 19 4.970 -13.474 -7.804 1.00 0.00 O ATOM 309 CB TYR A 19 3.764 -14.443 -10.551 1.00 0.00 C ATOM 310 CG TYR A 19 2.681 -14.953 -11.484 1.00 0.00 C ATOM 311 CD1 TYR A 19 1.789 -15.939 -11.079 1.00 0.00 C ATOM 312 CD2 TYR A 19 2.567 -14.463 -12.778 1.00 0.00 C ATOM 313 CE1 TYR A 19 0.824 -16.425 -11.939 1.00 0.00 C ATOM 314 CE2 TYR A 19 1.601 -14.940 -13.640 1.00 0.00 C ATOM 315 CZ TYR A 19 0.733 -15.921 -13.219 1.00 0.00 C ATOM 316 OH TYR A 19 -0.223 -16.406 -14.082 1.00 0.00 O ATOM 0 H TYR A 19 2.926 -12.028 -11.053 1.00 0.00 H new ATOM 0 HA TYR A 19 2.604 -13.916 -8.813 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.556 -13.988 -11.146 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.206 -15.291 -10.028 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.852 -16.332 -10.075 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.247 -13.695 -13.116 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.144 -17.197 -11.610 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.526 -14.545 -14.642 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.092 -16.010 -13.864 1.00 0.00 H new ATOM 326 N MET A 20 4.969 -11.705 -9.179 1.00 0.00 N ATOM 327 CA MET A 20 5.955 -10.952 -8.399 1.00 0.00 C ATOM 328 C MET A 20 5.297 -10.364 -7.138 1.00 0.00 C ATOM 329 O MET A 20 5.956 -10.106 -6.133 1.00 0.00 O ATOM 330 CB MET A 20 6.574 -9.845 -9.250 1.00 0.00 C ATOM 331 CG MET A 20 7.490 -10.341 -10.360 1.00 0.00 C ATOM 332 SD MET A 20 8.432 -9.009 -11.130 1.00 0.00 S ATOM 333 CE MET A 20 7.152 -8.195 -12.081 1.00 0.00 C ATOM 0 H MET A 20 4.700 -11.262 -10.058 1.00 0.00 H new ATOM 0 HA MET A 20 6.750 -11.630 -8.090 1.00 0.00 H new ATOM 0 HB2 MET A 20 5.773 -9.254 -9.694 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.140 -9.178 -8.600 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.180 -11.081 -9.953 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.893 -10.845 -11.120 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.603 -7.669 -12.922 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.447 -8.938 -12.454 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.625 -7.482 -11.447 1.00 0.00 H new ATOM 343 N SER A 21 3.983 -10.151 -7.217 1.00 0.00 N ATOM 344 CA SER A 21 3.178 -9.760 -6.053 1.00 0.00 C ATOM 345 C SER A 21 2.804 -10.989 -5.211 1.00 0.00 C ATOM 346 O SER A 21 2.598 -10.882 -4.006 1.00 0.00 O ATOM 347 CB SER A 21 1.930 -9.024 -6.501 1.00 0.00 C ATOM 348 OG SER A 21 1.041 -9.865 -7.185 1.00 0.00 O ATOM 0 H SER A 21 3.448 -10.243 -8.080 1.00 0.00 H new ATOM 0 HA SER A 21 3.774 -9.091 -5.432 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.429 -8.597 -5.632 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.212 -8.192 -7.147 1.00 0.00 H new ATOM 0 HG SER A 21 1.520 -10.659 -7.502 1.00 0.00 H new ATOM 354 N GLN A 22 2.698 -12.153 -5.867 1.00 0.00 N ATOM 355 CA GLN A 22 2.524 -13.436 -5.159 1.00 0.00 C ATOM 356 C GLN A 22 3.744 -13.752 -4.273 1.00 0.00 C ATOM 357 O GLN A 22 3.606 -14.143 -3.111 1.00 0.00 O ATOM 358 CB GLN A 22 2.303 -14.574 -6.159 1.00 0.00 C ATOM 359 CG GLN A 22 2.038 -15.924 -5.516 1.00 0.00 C ATOM 360 CD GLN A 22 0.748 -15.942 -4.717 1.00 0.00 C ATOM 361 OE1 GLN A 22 -0.296 -15.485 -5.189 1.00 0.00 O ATOM 362 NE2 GLN A 22 0.815 -16.468 -3.499 1.00 0.00 N ATOM 0 H GLN A 22 2.729 -12.236 -6.883 1.00 0.00 H new ATOM 0 HA GLN A 22 1.646 -13.345 -4.519 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.461 -14.319 -6.803 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.181 -14.655 -6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.993 -16.690 -6.291 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.871 -16.181 -4.862 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.701 -16.834 -3.150 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.019 -16.506 -2.913 1.00 0.00 H new ATOM 371 N VAL A 23 4.938 -13.584 -4.834 1.00 0.00 N ATOM 372 CA VAL A 23 6.179 -13.810 -4.088 1.00 0.00 C ATOM 373 C VAL A 23 7.305 -12.882 -4.577 1.00 0.00 C ATOM 374 O VAL A 23 7.546 -12.735 -5.775 1.00 0.00 O ATOM 375 CB VAL A 23 6.644 -15.274 -4.204 1.00 0.00 C ATOM 376 CG1 VAL A 23 6.926 -15.630 -5.656 1.00 0.00 C ATOM 377 CG2 VAL A 23 7.879 -15.510 -3.348 1.00 0.00 C ATOM 0 H VAL A 23 5.076 -13.292 -5.802 1.00 0.00 H new ATOM 0 HA VAL A 23 5.963 -13.586 -3.043 1.00 0.00 H new ATOM 0 HB VAL A 23 5.844 -15.919 -3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.253 -16.668 -5.719 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.019 -15.499 -6.246 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.708 -14.978 -6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.194 -16.549 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.684 -14.856 -3.682 1.00 0.00 H new ATOM 0 HG23 VAL A 23 7.646 -15.294 -2.305 1.00 0.00 H new ATOM 387 N TYR A 24 7.998 -12.265 -3.625 1.00 0.00 N ATOM 388 CA TYR A 24 9.066 -11.301 -3.927 1.00 0.00 C ATOM 389 C TYR A 24 10.464 -11.950 -3.848 1.00 0.00 C ATOM 390 O TYR A 24 11.450 -11.279 -3.534 1.00 0.00 O ATOM 391 CB TYR A 24 8.987 -10.108 -2.971 1.00 0.00 C ATOM 392 CG TYR A 24 8.962 -10.495 -1.509 1.00 0.00 C ATOM 393 CD1 TYR A 24 10.140 -10.671 -0.797 1.00 0.00 C ATOM 394 CD2 TYR A 24 7.760 -10.683 -0.843 1.00 0.00 C ATOM 395 CE1 TYR A 24 10.122 -11.024 0.538 1.00 0.00 C ATOM 396 CE2 TYR A 24 7.730 -11.036 0.492 1.00 0.00 C ATOM 397 CZ TYR A 24 8.914 -11.206 1.179 1.00 0.00 C ATOM 398 OH TYR A 24 8.890 -11.557 2.510 1.00 0.00 O ATOM 0 H TYR A 24 7.842 -12.413 -2.628 1.00 0.00 H new ATOM 0 HA TYR A 24 8.918 -10.956 -4.950 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.841 -9.455 -3.149 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.091 -9.531 -3.199 1.00 0.00 H new ATOM 0 HD1 TYR A 24 11.087 -10.529 -1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.831 -10.551 -1.378 1.00 0.00 H new ATOM 0 HE1 TYR A 24 11.048 -11.157 1.077 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.785 -11.178 0.995 1.00 0.00 H new ATOM 0 HH TYR A 24 9.124 -12.504 2.603 1.00 0.00 H new ATOM 408 N GLY A 25 10.548 -13.247 -4.142 1.00 0.00 N ATOM 409 CA GLY A 25 11.794 -13.987 -3.948 1.00 0.00 C ATOM 410 C GLY A 25 12.602 -14.235 -5.222 1.00 0.00 C ATOM 411 O GLY A 25 12.691 -13.371 -6.096 1.00 0.00 O ATOM 0 H GLY A 25 9.776 -13.802 -4.512 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.418 -13.440 -3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.561 -14.948 -3.490 1.00 0.00 H new ATOM 415 N ASP A 26 13.198 -15.426 -5.311 1.00 0.00 N ATOM 416 CA ASP A 26 14.066 -15.807 -6.433 1.00 0.00 C ATOM 417 C ASP A 26 13.361 -15.707 -7.804 1.00 0.00 C ATOM 418 O ASP A 26 12.181 -16.041 -7.938 1.00 0.00 O ATOM 419 CB ASP A 26 14.593 -17.228 -6.224 1.00 0.00 C ATOM 420 CG ASP A 26 15.667 -17.349 -5.151 1.00 0.00 C ATOM 421 OD1 ASP A 26 16.316 -16.368 -4.875 1.00 0.00 O ATOM 422 OD2 ASP A 26 15.724 -18.370 -4.508 1.00 0.00 O ATOM 0 H ASP A 26 13.094 -16.157 -4.607 1.00 0.00 H new ATOM 0 HA ASP A 26 14.892 -15.096 -6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.758 -17.877 -5.960 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.996 -17.595 -7.168 1.00 0.00 H new ATOM 427 N PRO A 27 14.100 -15.249 -8.844 1.00 0.00 N ATOM 428 CA PRO A 27 13.558 -15.042 -10.204 1.00 0.00 C ATOM 429 C PRO A 27 12.782 -16.245 -10.762 1.00 0.00 C ATOM 430 O PRO A 27 11.730 -16.076 -11.382 1.00 0.00 O ATOM 431 CB PRO A 27 14.805 -14.744 -11.043 1.00 0.00 C ATOM 432 CG PRO A 27 15.738 -14.072 -10.095 1.00 0.00 C ATOM 433 CD PRO A 27 15.528 -14.761 -8.773 1.00 0.00 C ATOM 0 HA PRO A 27 12.817 -14.243 -10.214 1.00 0.00 H new ATOM 0 HB2 PRO A 27 15.240 -15.658 -11.447 1.00 0.00 H new ATOM 0 HB3 PRO A 27 14.569 -14.101 -11.891 1.00 0.00 H new ATOM 0 HG2 PRO A 27 16.772 -14.166 -10.428 1.00 0.00 H new ATOM 0 HG3 PRO A 27 15.523 -13.006 -10.021 1.00 0.00 H new ATOM 0 HD2 PRO A 27 16.227 -15.587 -8.637 1.00 0.00 H new ATOM 0 HD3 PRO A 27 15.676 -14.077 -7.937 1.00 0.00 H new ATOM 441 N LEU A 28 13.304 -17.452 -10.532 1.00 0.00 N ATOM 442 CA LEU A 28 12.715 -18.691 -11.072 1.00 0.00 C ATOM 443 C LEU A 28 11.319 -18.958 -10.482 1.00 0.00 C ATOM 444 O LEU A 28 10.481 -19.599 -11.117 1.00 0.00 O ATOM 445 CB LEU A 28 13.644 -19.880 -10.797 1.00 0.00 C ATOM 446 CG LEU A 28 14.969 -19.867 -11.571 1.00 0.00 C ATOM 447 CD1 LEU A 28 15.859 -21.011 -11.103 1.00 0.00 C ATOM 448 CD2 LEU A 28 14.689 -19.976 -13.062 1.00 0.00 C ATOM 0 H LEU A 28 14.142 -17.603 -9.970 1.00 0.00 H new ATOM 0 HA LEU A 28 12.601 -18.565 -12.149 1.00 0.00 H new ATOM 0 HB2 LEU A 28 13.865 -19.908 -9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 28 13.111 -20.800 -11.037 1.00 0.00 H new ATOM 0 HG LEU A 28 15.491 -18.929 -11.381 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.797 -20.993 -11.658 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.065 -20.899 -10.039 1.00 0.00 H new ATOM 0 HD13 LEU A 28 15.353 -21.960 -11.277 1.00 0.00 H new ATOM 0 HD21 LEU A 28 15.631 -19.967 -13.611 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.160 -20.907 -13.266 1.00 0.00 H new ATOM 0 HD23 LEU A 28 14.076 -19.133 -13.380 1.00 0.00 H new ATOM 460 N ALA A 29 11.074 -18.439 -9.281 1.00 0.00 N ATOM 461 CA ALA A 29 9.798 -18.639 -8.588 1.00 0.00 C ATOM 462 C ALA A 29 8.601 -18.095 -9.397 1.00 0.00 C ATOM 463 O ALA A 29 7.775 -18.866 -9.890 1.00 0.00 O ATOM 464 CB ALA A 29 9.850 -17.993 -7.208 1.00 0.00 C ATOM 0 H ALA A 29 11.746 -17.873 -8.763 1.00 0.00 H new ATOM 0 HA ALA A 29 9.646 -19.713 -8.480 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.898 -18.146 -6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.651 -18.446 -6.624 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.038 -16.924 -7.313 1.00 0.00 H new ATOM 470 N TYR A 30 8.528 -16.773 -9.555 1.00 0.00 N ATOM 471 CA TYR A 30 7.435 -16.154 -10.320 1.00 0.00 C ATOM 472 C TYR A 30 7.612 -16.335 -11.837 1.00 0.00 C ATOM 473 O TYR A 30 6.653 -16.217 -12.595 1.00 0.00 O ATOM 474 CB TYR A 30 7.332 -14.665 -9.981 1.00 0.00 C ATOM 475 CG TYR A 30 8.589 -13.880 -10.285 1.00 0.00 C ATOM 476 CD1 TYR A 30 8.845 -13.411 -11.564 1.00 0.00 C ATOM 477 CD2 TYR A 30 9.515 -13.608 -9.288 1.00 0.00 C ATOM 478 CE1 TYR A 30 9.992 -12.694 -11.847 1.00 0.00 C ATOM 479 CE2 TYR A 30 10.664 -12.891 -9.559 1.00 0.00 C ATOM 480 CZ TYR A 30 10.900 -12.435 -10.839 1.00 0.00 C ATOM 481 OH TYR A 30 12.043 -11.720 -11.114 1.00 0.00 O ATOM 0 H TYR A 30 9.203 -16.113 -9.170 1.00 0.00 H new ATOM 0 HA TYR A 30 6.513 -16.660 -10.035 1.00 0.00 H new ATOM 0 HB2 TYR A 30 6.501 -14.232 -10.538 1.00 0.00 H new ATOM 0 HB3 TYR A 30 7.096 -14.559 -8.922 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.135 -13.609 -12.354 1.00 0.00 H new ATOM 0 HD2 TYR A 30 9.334 -13.963 -8.284 1.00 0.00 H new ATOM 0 HE1 TYR A 30 10.177 -12.338 -12.850 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.375 -12.688 -8.772 1.00 0.00 H new ATOM 0 HH TYR A 30 12.574 -11.625 -10.296 1.00 0.00 H new ATOM 491 N LEU A 31 8.840 -16.619 -12.279 1.00 0.00 N ATOM 492 CA LEU A 31 9.102 -16.905 -13.696 1.00 0.00 C ATOM 493 C LEU A 31 8.398 -18.200 -14.140 1.00 0.00 C ATOM 494 O LEU A 31 7.720 -18.236 -15.173 1.00 0.00 O ATOM 495 CB LEU A 31 10.612 -17.004 -13.947 1.00 0.00 C ATOM 496 CG LEU A 31 11.014 -17.323 -15.393 1.00 0.00 C ATOM 497 CD1 LEU A 31 10.521 -16.226 -16.326 1.00 0.00 C ATOM 498 CD2 LEU A 31 12.526 -17.466 -15.480 1.00 0.00 C ATOM 0 H LEU A 31 9.666 -16.657 -11.681 1.00 0.00 H new ATOM 0 HA LEU A 31 8.699 -16.083 -14.288 1.00 0.00 H new ATOM 0 HB2 LEU A 31 11.075 -16.061 -13.658 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.023 -17.774 -13.294 1.00 0.00 H new ATOM 0 HG LEU A 31 10.555 -18.263 -15.700 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.811 -16.462 -17.350 1.00 0.00 H new ATOM 0 HD12 LEU A 31 9.435 -16.156 -16.264 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.963 -15.274 -16.034 1.00 0.00 H new ATOM 0 HD21 LEU A 31 12.812 -17.693 -16.507 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.998 -16.534 -15.169 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.853 -18.274 -14.826 1.00 0.00 H new ATOM 510 N GLN A 32 8.548 -19.258 -13.342 1.00 0.00 N ATOM 511 CA GLN A 32 7.907 -20.539 -13.646 1.00 0.00 C ATOM 512 C GLN A 32 6.403 -20.488 -13.358 1.00 0.00 C ATOM 513 O GLN A 32 5.619 -21.153 -14.029 1.00 0.00 O ATOM 514 CB GLN A 32 8.552 -21.665 -12.834 1.00 0.00 C ATOM 515 CG GLN A 32 10.010 -21.921 -13.174 1.00 0.00 C ATOM 516 CD GLN A 32 10.221 -22.198 -14.651 1.00 0.00 C ATOM 517 OE1 GLN A 32 9.429 -22.903 -15.283 1.00 0.00 O ATOM 518 NE2 GLN A 32 11.293 -21.649 -15.208 1.00 0.00 N ATOM 0 H GLN A 32 9.103 -19.255 -12.486 1.00 0.00 H new ATOM 0 HA GLN A 32 8.048 -20.737 -14.709 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.475 -21.424 -11.774 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.987 -22.583 -12.994 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.606 -21.056 -12.881 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.372 -22.769 -12.593 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.921 -21.073 -14.647 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.489 -21.803 -16.197 1.00 0.00 H new ATOM 527 N GLU A 33 5.997 -19.682 -12.375 1.00 0.00 N ATOM 528 CA GLU A 33 4.571 -19.458 -12.104 1.00 0.00 C ATOM 529 C GLU A 33 3.914 -18.643 -13.239 1.00 0.00 C ATOM 530 O GLU A 33 2.734 -18.819 -13.540 1.00 0.00 O ATOM 531 CB GLU A 33 4.387 -18.745 -10.763 1.00 0.00 C ATOM 532 CG GLU A 33 3.010 -18.923 -10.139 1.00 0.00 C ATOM 533 CD GLU A 33 2.821 -20.323 -9.624 1.00 0.00 C ATOM 534 OE1 GLU A 33 2.828 -21.233 -10.417 1.00 0.00 O ATOM 535 OE2 GLU A 33 2.782 -20.494 -8.429 1.00 0.00 O ATOM 0 H GLU A 33 6.629 -19.175 -11.755 1.00 0.00 H new ATOM 0 HA GLU A 33 4.080 -20.430 -12.054 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.139 -19.112 -10.064 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.574 -17.680 -10.903 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.884 -18.212 -9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.241 -18.698 -10.878 1.00 0.00 H new ATOM 542 N THR A 34 4.694 -17.771 -13.884 1.00 0.00 N ATOM 543 CA THR A 34 4.202 -16.989 -15.037 1.00 0.00 C ATOM 544 C THR A 34 4.069 -17.865 -16.293 1.00 0.00 C ATOM 545 O THR A 34 3.059 -17.814 -17.001 1.00 0.00 O ATOM 546 CB THR A 34 5.129 -15.801 -15.352 1.00 0.00 C ATOM 547 OG1 THR A 34 5.176 -14.916 -14.225 1.00 0.00 O ATOM 548 CG2 THR A 34 4.624 -15.040 -16.569 1.00 0.00 C ATOM 0 H THR A 34 5.665 -17.585 -13.634 1.00 0.00 H new ATOM 0 HA THR A 34 3.219 -16.610 -14.757 1.00 0.00 H new ATOM 0 HB THR A 34 6.127 -16.184 -15.563 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.967 -15.118 -13.683 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.291 -14.203 -16.778 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.598 -15.707 -17.431 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.620 -14.663 -16.372 1.00 0.00 H new ATOM 556 N THR A 35 5.102 -18.654 -16.569 1.00 0.00 N ATOM 557 CA THR A 35 5.187 -19.421 -17.826 1.00 0.00 C ATOM 558 C THR A 35 4.471 -20.787 -17.730 1.00 0.00 C ATOM 559 O THR A 35 4.023 -21.337 -18.744 1.00 0.00 O ATOM 560 CB THR A 35 6.652 -19.655 -18.234 1.00 0.00 C ATOM 561 OG1 THR A 35 7.326 -20.394 -17.207 1.00 0.00 O ATOM 562 CG2 THR A 35 7.364 -18.329 -18.449 1.00 0.00 C ATOM 0 H THR A 35 5.897 -18.785 -15.944 1.00 0.00 H new ATOM 0 HA THR A 35 4.684 -18.819 -18.583 1.00 0.00 H new ATOM 0 HB THR A 35 6.667 -20.220 -19.166 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.639 -19.778 -16.513 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.399 -18.514 -18.737 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.862 -17.770 -19.239 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.342 -17.750 -17.525 1.00 0.00 H new ATOM 570 N LYS A 36 4.344 -21.327 -16.518 1.00 0.00 N ATOM 571 CA LYS A 36 3.658 -22.613 -16.312 1.00 0.00 C ATOM 572 C LYS A 36 2.400 -22.492 -15.419 1.00 0.00 C ATOM 573 O LYS A 36 1.345 -23.037 -15.757 1.00 0.00 O ATOM 574 CB LYS A 36 4.629 -23.627 -15.703 1.00 0.00 C ATOM 575 CG LYS A 36 5.884 -23.872 -16.531 1.00 0.00 C ATOM 576 CD LYS A 36 5.567 -24.659 -17.794 1.00 0.00 C ATOM 577 CE LYS A 36 6.828 -24.948 -18.597 1.00 0.00 C ATOM 578 NZ LYS A 36 6.524 -25.638 -19.881 1.00 0.00 N ATOM 0 H LYS A 36 4.704 -20.900 -15.664 1.00 0.00 H new ATOM 0 HA LYS A 36 3.321 -22.952 -17.291 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.924 -23.280 -14.713 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.108 -24.574 -15.567 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.338 -22.918 -16.799 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.616 -24.417 -15.934 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.080 -25.597 -17.528 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.863 -24.097 -18.408 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.350 -24.013 -18.802 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.502 -25.566 -18.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.409 -25.816 -20.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.049 -26.542 -19.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.901 -25.038 -20.459 1.00 0.00 H new ATOM 592 N PHE A 37 2.535 -21.802 -14.279 1.00 0.00 N ATOM 593 CA PHE A 37 1.437 -21.624 -13.299 1.00 0.00 C ATOM 594 C PHE A 37 1.242 -22.891 -12.432 1.00 0.00 C ATOM 595 O PHE A 37 0.440 -22.913 -11.490 1.00 0.00 O ATOM 596 CB PHE A 37 0.124 -21.223 -14.012 1.00 0.00 C ATOM 597 CG PHE A 37 -0.979 -20.757 -13.086 1.00 0.00 C ATOM 598 CD1 PHE A 37 -1.097 -19.416 -12.750 1.00 0.00 C ATOM 599 CD2 PHE A 37 -1.898 -21.656 -12.558 1.00 0.00 C ATOM 600 CE1 PHE A 37 -2.104 -18.980 -11.909 1.00 0.00 C ATOM 601 CE2 PHE A 37 -2.907 -21.224 -11.717 1.00 0.00 C ATOM 602 CZ PHE A 37 -3.010 -19.885 -11.392 1.00 0.00 C ATOM 0 H PHE A 37 3.406 -21.348 -14.003 1.00 0.00 H new ATOM 0 HA PHE A 37 1.717 -20.812 -12.628 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.342 -20.428 -14.725 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.238 -22.076 -14.586 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.392 -18.703 -13.151 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.823 -22.704 -12.807 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.182 -17.933 -11.657 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.615 -21.933 -11.314 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.798 -19.547 -10.735 1.00 0.00 H new ATOM 612 N VAL A 38 2.015 -23.936 -12.735 1.00 0.00 N ATOM 613 CA VAL A 38 1.807 -25.279 -12.172 1.00 0.00 C ATOM 614 C VAL A 38 3.151 -25.949 -11.822 1.00 0.00 C ATOM 615 O VAL A 38 4.218 -25.383 -12.051 1.00 0.00 O ATOM 616 CB VAL A 38 1.029 -26.183 -13.145 1.00 0.00 C ATOM 617 CG1 VAL A 38 -0.360 -25.618 -13.402 1.00 0.00 C ATOM 618 CG2 VAL A 38 1.789 -26.339 -14.454 1.00 0.00 C ATOM 0 H VAL A 38 2.805 -23.879 -13.378 1.00 0.00 H new ATOM 0 HA VAL A 38 1.221 -25.153 -11.262 1.00 0.00 H new ATOM 0 HB VAL A 38 0.923 -27.167 -12.689 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.896 -26.270 -14.092 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.908 -25.557 -12.462 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.273 -24.622 -13.837 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.223 -26.981 -15.129 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.926 -25.360 -14.914 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.763 -26.787 -14.258 1.00 0.00 H new ATOM 628 N THR A 39 3.096 -27.165 -11.278 1.00 0.00 N ATOM 629 CA THR A 39 4.323 -27.890 -10.906 1.00 0.00 C ATOM 630 C THR A 39 5.327 -28.005 -12.073 1.00 0.00 C ATOM 631 O THR A 39 5.004 -28.482 -13.160 1.00 0.00 O ATOM 632 CB THR A 39 3.994 -29.305 -10.395 1.00 0.00 C ATOM 633 OG1 THR A 39 3.082 -29.218 -9.292 1.00 0.00 O ATOM 634 CG2 THR A 39 5.261 -30.018 -9.945 1.00 0.00 C ATOM 0 H THR A 39 2.230 -27.668 -11.085 1.00 0.00 H new ATOM 0 HA THR A 39 4.787 -27.303 -10.113 1.00 0.00 H new ATOM 0 HB THR A 39 3.539 -29.871 -11.208 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.378 -28.568 -9.500 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.009 -31.016 -9.587 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.952 -30.097 -10.784 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.731 -29.452 -9.141 1.00 0.00 H new ATOM 642 N GLU A 40 6.550 -27.528 -11.838 1.00 0.00 N ATOM 643 CA GLU A 40 7.636 -27.610 -12.827 1.00 0.00 C ATOM 644 C GLU A 40 8.971 -27.982 -12.156 1.00 0.00 C ATOM 645 O GLU A 40 9.295 -27.476 -11.082 1.00 0.00 O ATOM 646 CB GLU A 40 7.777 -26.285 -13.580 1.00 0.00 C ATOM 647 CG GLU A 40 8.892 -26.265 -14.615 1.00 0.00 C ATOM 648 CD GLU A 40 8.730 -27.376 -15.614 1.00 0.00 C ATOM 649 OE1 GLU A 40 7.710 -27.425 -16.258 1.00 0.00 O ATOM 650 OE2 GLU A 40 9.669 -28.109 -15.816 1.00 0.00 O ATOM 0 H GLU A 40 6.819 -27.076 -10.964 1.00 0.00 H new ATOM 0 HA GLU A 40 7.381 -28.395 -13.539 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.833 -26.061 -14.077 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.954 -25.488 -12.858 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.894 -25.306 -15.132 1.00 0.00 H new ATOM 0 HG3 GLU A 40 9.856 -26.360 -14.116 1.00 0.00 H new ATOM 657 N ARG A 41 9.756 -28.859 -12.791 1.00 0.00 N ATOM 658 CA ARG A 41 10.985 -29.374 -12.170 1.00 0.00 C ATOM 659 C ARG A 41 11.807 -28.234 -11.553 1.00 0.00 C ATOM 660 O ARG A 41 12.075 -28.228 -10.357 1.00 0.00 O ATOM 661 CB ARG A 41 11.816 -30.202 -13.139 1.00 0.00 C ATOM 662 CG ARG A 41 13.120 -30.736 -12.568 1.00 0.00 C ATOM 663 CD ARG A 41 13.945 -31.501 -13.537 1.00 0.00 C ATOM 664 NE ARG A 41 15.306 -31.760 -13.097 1.00 0.00 N ATOM 665 CZ ARG A 41 16.237 -32.407 -13.827 1.00 0.00 C ATOM 666 NH1 ARG A 41 15.949 -32.893 -15.014 1.00 0.00 N ATOM 667 NH2 ARG A 41 17.442 -32.560 -13.307 1.00 0.00 N ATOM 0 H ARG A 41 9.567 -29.225 -13.724 1.00 0.00 H new ATOM 0 HA ARG A 41 10.684 -30.046 -11.366 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.215 -31.044 -13.483 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.042 -29.593 -14.014 1.00 0.00 H new ATOM 0 HG2 ARG A 41 13.707 -29.899 -12.190 1.00 0.00 H new ATOM 0 HG3 ARG A 41 12.894 -31.377 -11.716 1.00 0.00 H new ATOM 0 HD2 ARG A 41 13.455 -32.453 -13.740 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.979 -30.953 -14.478 1.00 0.00 H new ATOM 0 HE ARG A 41 15.576 -31.429 -12.171 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.010 -32.783 -15.396 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.665 -33.380 -15.553 1.00 0.00 H new ATOM 0 HH21 ARG A 41 17.647 -32.193 -12.378 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.167 -33.045 -13.835 1.00 0.00 H new ATOM 681 N GLU A 42 12.168 -27.251 -12.374 1.00 0.00 N ATOM 682 CA GLU A 42 13.040 -26.151 -11.935 1.00 0.00 C ATOM 683 C GLU A 42 12.351 -25.294 -10.852 1.00 0.00 C ATOM 684 O GLU A 42 13.005 -24.703 -9.996 1.00 0.00 O ATOM 685 CB GLU A 42 13.438 -25.278 -13.127 1.00 0.00 C ATOM 686 CG GLU A 42 14.408 -25.940 -14.095 1.00 0.00 C ATOM 687 CD GLU A 42 14.708 -25.045 -15.265 1.00 0.00 C ATOM 688 OE1 GLU A 42 14.129 -23.989 -15.345 1.00 0.00 O ATOM 689 OE2 GLU A 42 15.597 -25.366 -16.019 1.00 0.00 O ATOM 0 H GLU A 42 11.873 -27.189 -13.348 1.00 0.00 H new ATOM 0 HA GLU A 42 13.940 -26.587 -11.501 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.537 -24.995 -13.671 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.887 -24.358 -12.754 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.334 -26.185 -13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.985 -26.879 -14.452 1.00 0.00 H new ATOM 696 N TYR A 43 11.021 -25.252 -10.905 1.00 0.00 N ATOM 697 CA TYR A 43 10.204 -24.475 -9.963 1.00 0.00 C ATOM 698 C TYR A 43 10.312 -25.015 -8.524 1.00 0.00 C ATOM 699 O TYR A 43 10.186 -24.258 -7.563 1.00 0.00 O ATOM 700 CB TYR A 43 8.741 -24.471 -10.410 1.00 0.00 C ATOM 701 CG TYR A 43 7.874 -23.482 -9.664 1.00 0.00 C ATOM 702 CD1 TYR A 43 8.440 -22.474 -8.896 1.00 0.00 C ATOM 703 CD2 TYR A 43 6.490 -23.557 -9.731 1.00 0.00 C ATOM 704 CE1 TYR A 43 7.652 -21.569 -8.212 1.00 0.00 C ATOM 705 CE2 TYR A 43 5.693 -22.657 -9.052 1.00 0.00 C ATOM 706 CZ TYR A 43 6.278 -21.663 -8.293 1.00 0.00 C ATOM 707 OH TYR A 43 5.487 -20.764 -7.614 1.00 0.00 O ATOM 0 H TYR A 43 10.474 -25.756 -11.603 1.00 0.00 H new ATOM 0 HA TYR A 43 10.588 -23.455 -9.964 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.698 -24.245 -11.476 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.329 -25.471 -10.279 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.515 -22.396 -8.832 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.028 -24.332 -10.324 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.109 -20.792 -7.617 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.617 -22.730 -9.114 1.00 0.00 H new ATOM 0 HH TYR A 43 4.567 -20.823 -7.945 1.00 0.00 H new ATOM 717 N TYR A 44 10.543 -26.327 -8.374 1.00 0.00 N ATOM 718 CA TYR A 44 10.728 -26.920 -7.033 1.00 0.00 C ATOM 719 C TYR A 44 12.060 -27.684 -6.875 1.00 0.00 C ATOM 720 O TYR A 44 12.334 -28.223 -5.806 1.00 0.00 O ATOM 721 CB TYR A 44 9.562 -27.858 -6.716 1.00 0.00 C ATOM 722 CG TYR A 44 9.525 -29.103 -7.575 1.00 0.00 C ATOM 723 CD1 TYR A 44 10.304 -30.207 -7.264 1.00 0.00 C ATOM 724 CD2 TYR A 44 8.707 -29.171 -8.693 1.00 0.00 C ATOM 725 CE1 TYR A 44 10.275 -31.345 -8.045 1.00 0.00 C ATOM 726 CE2 TYR A 44 8.668 -30.304 -9.482 1.00 0.00 C ATOM 727 CZ TYR A 44 9.455 -31.390 -9.155 1.00 0.00 C ATOM 728 OH TYR A 44 9.420 -32.523 -9.936 1.00 0.00 O ATOM 0 H TYR A 44 10.606 -26.991 -9.146 1.00 0.00 H new ATOM 0 HA TYR A 44 10.757 -26.088 -6.329 1.00 0.00 H new ATOM 0 HB2 TYR A 44 9.621 -28.153 -5.668 1.00 0.00 H new ATOM 0 HB3 TYR A 44 8.626 -27.314 -6.842 1.00 0.00 H new ATOM 0 HD1 TYR A 44 10.945 -30.176 -6.395 1.00 0.00 H new ATOM 0 HD2 TYR A 44 8.090 -28.323 -8.951 1.00 0.00 H new ATOM 0 HE1 TYR A 44 10.890 -32.195 -7.789 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.026 -30.340 -10.349 1.00 0.00 H new ATOM 0 HH TYR A 44 8.792 -32.391 -10.676 1.00 0.00 H new ATOM 738 N GLU A 45 12.881 -27.728 -7.926 1.00 0.00 N ATOM 739 CA GLU A 45 14.216 -28.358 -7.850 1.00 0.00 C ATOM 740 C GLU A 45 15.241 -27.481 -7.101 1.00 0.00 C ATOM 741 O GLU A 45 15.934 -27.951 -6.198 1.00 0.00 O ATOM 742 CB GLU A 45 14.731 -28.671 -9.257 1.00 0.00 C ATOM 743 CG GLU A 45 16.113 -29.308 -9.292 1.00 0.00 C ATOM 744 CD GLU A 45 16.532 -29.626 -10.700 1.00 0.00 C ATOM 745 OE1 GLU A 45 16.569 -28.729 -11.506 1.00 0.00 O ATOM 746 OE2 GLU A 45 16.923 -30.744 -10.944 1.00 0.00 O ATOM 0 H GLU A 45 12.653 -27.338 -8.841 1.00 0.00 H new ATOM 0 HA GLU A 45 14.102 -29.282 -7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.024 -29.338 -9.750 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.755 -27.748 -9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.839 -28.633 -8.838 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.110 -30.221 -8.696 1.00 0.00 H new ATOM 753 N ASP A 46 15.342 -26.212 -7.484 1.00 0.00 N ATOM 754 CA ASP A 46 16.214 -25.265 -6.776 1.00 0.00 C ATOM 755 C ASP A 46 15.513 -24.640 -5.558 1.00 0.00 C ATOM 756 O ASP A 46 16.070 -23.762 -4.888 1.00 0.00 O ATOM 757 CB ASP A 46 16.687 -24.164 -7.729 1.00 0.00 C ATOM 758 CG ASP A 46 17.689 -24.628 -8.778 1.00 0.00 C ATOM 759 OD1 ASP A 46 18.239 -25.691 -8.617 1.00 0.00 O ATOM 760 OD2 ASP A 46 17.779 -23.996 -9.803 1.00 0.00 O ATOM 0 H ASP A 46 14.837 -25.812 -8.275 1.00 0.00 H new ATOM 0 HA ASP A 46 17.076 -25.825 -6.412 1.00 0.00 H new ATOM 0 HB2 ASP A 46 15.819 -23.741 -8.235 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.137 -23.362 -7.144 1.00 0.00 H new ATOM 765 N PHE A 47 14.303 -25.102 -5.268 1.00 0.00 N ATOM 766 CA PHE A 47 13.502 -24.551 -4.170 1.00 0.00 C ATOM 767 C PHE A 47 13.162 -25.615 -3.110 1.00 0.00 C ATOM 768 O PHE A 47 13.398 -26.809 -3.300 1.00 0.00 O ATOM 769 CB PHE A 47 12.216 -23.929 -4.718 1.00 0.00 C ATOM 770 CG PHE A 47 12.450 -22.742 -5.609 1.00 0.00 C ATOM 771 CD1 PHE A 47 12.770 -22.914 -6.947 1.00 0.00 C ATOM 772 CD2 PHE A 47 12.350 -21.452 -5.111 1.00 0.00 C ATOM 773 CE1 PHE A 47 12.985 -21.823 -7.768 1.00 0.00 C ATOM 774 CE2 PHE A 47 12.563 -20.359 -5.929 1.00 0.00 C ATOM 775 CZ PHE A 47 12.881 -20.546 -7.259 1.00 0.00 C ATOM 0 H PHE A 47 13.849 -25.860 -5.778 1.00 0.00 H new ATOM 0 HA PHE A 47 14.102 -23.782 -3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.665 -24.687 -5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 47 11.585 -23.626 -3.882 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.852 -23.912 -7.352 1.00 0.00 H new ATOM 0 HD2 PHE A 47 12.103 -21.300 -4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 47 13.234 -21.971 -8.808 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.481 -19.360 -5.528 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.048 -19.693 -7.900 1.00 0.00 H new ATOM 785 N GLY A 48 12.597 -25.172 -1.988 1.00 0.00 N ATOM 786 CA GLY A 48 12.100 -26.104 -0.979 1.00 0.00 C ATOM 787 C GLY A 48 12.051 -25.513 0.425 1.00 0.00 C ATOM 788 O GLY A 48 11.151 -25.823 1.207 1.00 0.00 O ATOM 0 H GLY A 48 12.473 -24.186 -1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.100 -26.433 -1.261 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.736 -26.989 -0.970 1.00 0.00 H new ATOM 792 N TYR A 49 13.015 -24.656 0.750 1.00 0.00 N ATOM 793 CA TYR A 49 13.071 -24.022 2.077 1.00 0.00 C ATOM 794 C TYR A 49 13.265 -22.503 1.975 1.00 0.00 C ATOM 795 O TYR A 49 14.031 -22.021 1.147 1.00 0.00 O ATOM 796 CB TYR A 49 14.197 -24.636 2.912 1.00 0.00 C ATOM 797 CG TYR A 49 13.894 -26.028 3.421 1.00 0.00 C ATOM 798 CD1 TYR A 49 13.251 -26.217 4.634 1.00 0.00 C ATOM 799 CD2 TYR A 49 14.256 -27.149 2.686 1.00 0.00 C ATOM 800 CE1 TYR A 49 12.972 -27.487 5.103 1.00 0.00 C ATOM 801 CE2 TYR A 49 13.983 -28.423 3.146 1.00 0.00 C ATOM 802 CZ TYR A 49 13.340 -28.587 4.356 1.00 0.00 C ATOM 803 OH TYR A 49 13.065 -29.854 4.820 1.00 0.00 O ATOM 0 H TYR A 49 13.768 -24.381 0.120 1.00 0.00 H new ATOM 0 HA TYR A 49 12.115 -24.205 2.567 1.00 0.00 H new ATOM 0 HB2 TYR A 49 15.105 -24.670 2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 49 14.402 -23.985 3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 49 12.963 -25.358 5.222 1.00 0.00 H new ATOM 0 HD2 TYR A 49 14.759 -27.023 1.739 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.468 -27.618 6.049 1.00 0.00 H new ATOM 0 HE2 TYR A 49 14.271 -29.285 2.562 1.00 0.00 H new ATOM 0 HH TYR A 49 13.226 -30.506 4.106 1.00 0.00 H new ATOM 813 N GLY A 50 12.570 -21.760 2.836 1.00 0.00 N ATOM 814 CA GLY A 50 12.662 -20.302 2.835 1.00 0.00 C ATOM 815 C GLY A 50 11.292 -19.640 2.911 1.00 0.00 C ATOM 816 O GLY A 50 10.280 -20.334 2.992 1.00 0.00 O ATOM 0 H GLY A 50 11.939 -22.143 3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.268 -19.977 3.681 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.174 -19.972 1.931 1.00 0.00 H new ATOM 820 N GLU A 51 11.257 -18.305 2.874 1.00 0.00 N ATOM 821 CA GLU A 51 9.991 -17.545 2.921 1.00 0.00 C ATOM 822 C GLU A 51 8.904 -18.204 2.063 1.00 0.00 C ATOM 823 O GLU A 51 7.847 -18.582 2.560 1.00 0.00 O ATOM 824 CB GLU A 51 10.213 -16.103 2.461 1.00 0.00 C ATOM 825 CG GLU A 51 10.720 -15.168 3.549 1.00 0.00 C ATOM 826 CD GLU A 51 9.598 -14.696 4.432 1.00 0.00 C ATOM 827 OE1 GLU A 51 9.264 -15.393 5.358 1.00 0.00 O ATOM 828 OE2 GLU A 51 9.150 -13.588 4.247 1.00 0.00 O ATOM 0 H GLU A 51 12.091 -17.721 2.811 1.00 0.00 H new ATOM 0 HA GLU A 51 9.651 -17.543 3.956 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.927 -16.103 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.274 -15.711 2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.469 -15.681 4.152 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.212 -14.309 3.093 1.00 0.00 H new ATOM 835 N CYS A 52 9.175 -18.328 0.772 1.00 0.00 N ATOM 836 CA CYS A 52 8.342 -19.129 -0.128 1.00 0.00 C ATOM 837 C CYS A 52 9.215 -20.148 -0.872 1.00 0.00 C ATOM 838 O CYS A 52 9.322 -20.114 -2.097 1.00 0.00 O ATOM 839 CB CYS A 52 7.775 -18.087 -1.092 1.00 0.00 C ATOM 840 SG CYS A 52 6.765 -16.809 -0.306 1.00 0.00 S ATOM 0 H CYS A 52 9.971 -17.882 0.316 1.00 0.00 H new ATOM 0 HA CYS A 52 7.565 -19.701 0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.602 -17.608 -1.616 1.00 0.00 H new ATOM 0 HB3 CYS A 52 7.173 -18.596 -1.845 1.00 0.00 H new ATOM 0 HG CYS A 52 6.069 -16.188 -1.211 1.00 0.00 H new ATOM 846 N PHE A 53 9.879 -21.025 -0.108 1.00 0.00 N ATOM 847 CA PHE A 53 10.775 -22.055 -0.674 1.00 0.00 C ATOM 848 C PHE A 53 12.031 -21.441 -1.332 1.00 0.00 C ATOM 849 O PHE A 53 12.802 -22.148 -1.983 1.00 0.00 O ATOM 850 CB PHE A 53 10.032 -22.924 -1.709 1.00 0.00 C ATOM 851 CG PHE A 53 8.999 -23.877 -1.146 1.00 0.00 C ATOM 852 CD1 PHE A 53 8.682 -23.886 0.203 1.00 0.00 C ATOM 853 CD2 PHE A 53 8.335 -24.767 -1.987 1.00 0.00 C ATOM 854 CE1 PHE A 53 7.731 -24.757 0.697 1.00 0.00 C ATOM 855 CE2 PHE A 53 7.386 -25.635 -1.493 1.00 0.00 C ATOM 856 CZ PHE A 53 7.082 -25.630 -0.150 1.00 0.00 C ATOM 0 H PHE A 53 9.815 -21.046 0.910 1.00 0.00 H new ATOM 0 HA PHE A 53 11.097 -22.676 0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.540 -22.264 -2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.769 -23.503 -2.265 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.184 -23.205 0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.567 -24.777 -3.042 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.495 -24.754 1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.881 -26.319 -2.159 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.337 -26.308 0.239 1.00 0.00 H new ATOM 866 N ASN A 54 12.245 -20.141 -1.136 1.00 0.00 N ATOM 867 CA ASN A 54 13.285 -19.409 -1.869 1.00 0.00 C ATOM 868 C ASN A 54 14.514 -19.098 -0.993 1.00 0.00 C ATOM 869 O ASN A 54 14.525 -19.372 0.207 1.00 0.00 O ATOM 870 CB ASN A 54 12.730 -18.126 -2.460 1.00 0.00 C ATOM 871 CG ASN A 54 12.309 -17.115 -1.429 1.00 0.00 C ATOM 872 OD1 ASN A 54 13.075 -16.773 -0.520 1.00 0.00 O ATOM 873 ND2 ASN A 54 11.072 -16.701 -1.517 1.00 0.00 N ATOM 0 H ASN A 54 11.715 -19.571 -0.477 1.00 0.00 H new ATOM 0 HA ASN A 54 13.614 -20.062 -2.677 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.485 -17.679 -3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.873 -18.368 -3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.696 -16.064 -0.814 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.483 -17.015 -2.288 1.00 0.00 H new ATOM 880 N SER A 55 15.542 -18.507 -1.609 1.00 0.00 N ATOM 881 CA SER A 55 16.790 -18.158 -0.905 1.00 0.00 C ATOM 882 C SER A 55 16.998 -16.635 -0.873 1.00 0.00 C ATOM 883 O SER A 55 18.109 -16.138 -1.058 1.00 0.00 O ATOM 884 CB SER A 55 17.973 -18.839 -1.565 1.00 0.00 C ATOM 885 OG SER A 55 18.070 -18.522 -2.926 1.00 0.00 O ATOM 0 H SER A 55 15.539 -18.257 -2.598 1.00 0.00 H new ATOM 0 HA SER A 55 16.710 -18.510 0.124 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.891 -18.543 -1.058 1.00 0.00 H new ATOM 0 HB3 SER A 55 17.880 -19.919 -1.450 1.00 0.00 H new ATOM 0 HG SER A 55 17.198 -18.652 -3.355 1.00 0.00 H new ATOM 891 N THR A 56 15.905 -15.908 -0.658 1.00 0.00 N ATOM 892 CA THR A 56 15.929 -14.447 -0.500 1.00 0.00 C ATOM 893 C THR A 56 15.540 -14.001 0.921 1.00 0.00 C ATOM 894 O THR A 56 14.955 -14.767 1.688 1.00 0.00 O ATOM 895 CB THR A 56 14.987 -13.765 -1.510 1.00 0.00 C ATOM 896 OG1 THR A 56 13.631 -14.132 -1.225 1.00 0.00 O ATOM 897 CG2 THR A 56 15.334 -14.184 -2.931 1.00 0.00 C ATOM 0 H THR A 56 14.971 -16.312 -0.587 1.00 0.00 H new ATOM 0 HA THR A 56 16.958 -14.141 -0.687 1.00 0.00 H new ATOM 0 HB THR A 56 15.105 -12.685 -1.422 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.607 -15.046 -0.874 1.00 0.00 H new ATOM 0 HG21 THR A 56 14.658 -13.692 -3.631 1.00 0.00 H new ATOM 0 HG22 THR A 56 16.361 -13.895 -3.155 1.00 0.00 H new ATOM 0 HG23 THR A 56 15.232 -15.265 -3.027 1.00 0.00 H new ATOM 905 N GLU A 57 15.865 -12.749 1.258 1.00 0.00 N ATOM 906 CA GLU A 57 15.612 -12.191 2.599 1.00 0.00 C ATOM 907 C GLU A 57 14.117 -11.933 2.887 1.00 0.00 C ATOM 908 O GLU A 57 13.403 -11.330 2.077 1.00 0.00 O ATOM 909 CB GLU A 57 16.399 -10.890 2.774 1.00 0.00 C ATOM 910 CG GLU A 57 16.288 -10.271 4.160 1.00 0.00 C ATOM 911 CD GLU A 57 17.116 -9.020 4.268 1.00 0.00 C ATOM 912 OE1 GLU A 57 17.744 -8.661 3.300 1.00 0.00 O ATOM 913 OE2 GLU A 57 17.033 -8.361 5.277 1.00 0.00 O ATOM 0 H GLU A 57 16.309 -12.093 0.615 1.00 0.00 H new ATOM 0 HA GLU A 57 15.944 -12.942 3.315 1.00 0.00 H new ATOM 0 HB2 GLU A 57 17.450 -11.083 2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 57 16.050 -10.167 2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.245 -10.039 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.615 -10.992 4.910 1.00 0.00 H new ATOM 920 N SER A 58 13.650 -12.415 4.038 1.00 0.00 N ATOM 921 CA SER A 58 12.282 -12.151 4.502 1.00 0.00 C ATOM 922 C SER A 58 12.004 -10.639 4.597 1.00 0.00 C ATOM 923 O SER A 58 12.789 -9.894 5.190 1.00 0.00 O ATOM 924 CB SER A 58 12.052 -12.817 5.845 1.00 0.00 C ATOM 925 OG SER A 58 10.783 -12.530 6.365 1.00 0.00 O ATOM 0 H SER A 58 14.200 -12.994 4.672 1.00 0.00 H new ATOM 0 HA SER A 58 11.589 -12.570 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.164 -13.896 5.738 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.815 -12.486 6.549 1.00 0.00 H new ATOM 0 HG SER A 58 10.612 -13.100 7.144 1.00 0.00 H new ATOM 931 N GLU A 59 10.881 -10.187 4.030 1.00 0.00 N ATOM 932 CA GLU A 59 10.460 -8.783 4.187 1.00 0.00 C ATOM 933 C GLU A 59 9.123 -8.626 4.940 1.00 0.00 C ATOM 934 O GLU A 59 8.959 -7.697 5.739 1.00 0.00 O ATOM 935 CB GLU A 59 10.357 -8.116 2.813 1.00 0.00 C ATOM 936 CG GLU A 59 11.681 -7.997 2.071 1.00 0.00 C ATOM 937 CD GLU A 59 11.485 -7.431 0.692 1.00 0.00 C ATOM 938 OE1 GLU A 59 10.361 -7.194 0.322 1.00 0.00 O ATOM 939 OE2 GLU A 59 12.465 -7.129 0.051 1.00 0.00 O ATOM 0 H GLU A 59 10.253 -10.759 3.466 1.00 0.00 H new ATOM 0 HA GLU A 59 11.223 -8.295 4.794 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.660 -8.685 2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.933 -7.119 2.937 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.361 -7.358 2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.150 -8.978 2.000 1.00 0.00 H new ATOM 946 N VAL A 60 8.177 -9.537 4.712 1.00 0.00 N ATOM 947 CA VAL A 60 6.869 -9.482 5.391 1.00 0.00 C ATOM 948 C VAL A 60 6.470 -10.844 6.013 1.00 0.00 C ATOM 949 O VAL A 60 5.287 -11.132 6.222 1.00 0.00 O ATOM 950 CB VAL A 60 5.760 -9.033 4.420 1.00 0.00 C ATOM 951 CG1 VAL A 60 5.985 -7.591 3.987 1.00 0.00 C ATOM 952 CG2 VAL A 60 5.709 -9.950 3.208 1.00 0.00 C ATOM 0 H VAL A 60 8.284 -10.320 4.067 1.00 0.00 H new ATOM 0 HA VAL A 60 6.974 -8.753 6.195 1.00 0.00 H new ATOM 0 HB VAL A 60 4.803 -9.094 4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.193 -7.289 3.301 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.974 -6.942 4.863 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.950 -7.508 3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.920 -9.618 2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.667 -9.920 2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.503 -10.970 3.532 1.00 0.00 H new ATOM 962 N GLN A 61 7.483 -11.664 6.321 1.00 0.00 N ATOM 963 CA GLN A 61 7.319 -12.959 7.020 1.00 0.00 C ATOM 964 C GLN A 61 6.327 -13.918 6.328 1.00 0.00 C ATOM 965 O GLN A 61 5.408 -14.441 6.964 1.00 0.00 O ATOM 966 CB GLN A 61 6.857 -12.718 8.459 1.00 0.00 C ATOM 967 CG GLN A 61 7.873 -11.994 9.325 1.00 0.00 C ATOM 968 CD GLN A 61 9.077 -12.858 9.650 1.00 0.00 C ATOM 969 OE1 GLN A 61 8.939 -14.032 10.003 1.00 0.00 O ATOM 970 NE2 GLN A 61 10.267 -12.279 9.537 1.00 0.00 N ATOM 0 H GLN A 61 8.454 -11.450 6.092 1.00 0.00 H new ATOM 0 HA GLN A 61 8.297 -13.441 6.997 1.00 0.00 H new ATOM 0 HB2 GLN A 61 5.934 -12.139 8.440 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.622 -13.678 8.919 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.205 -11.091 8.813 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.396 -11.677 10.252 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.334 -11.305 9.242 1.00 0.00 H new ATOM 0 HE22 GLN A 61 11.114 -12.808 9.746 1.00 0.00 H new ATOM 979 N CYS A 62 6.537 -14.186 5.039 1.00 0.00 N ATOM 980 CA CYS A 62 5.673 -15.123 4.301 1.00 0.00 C ATOM 981 C CYS A 62 5.707 -16.523 4.927 1.00 0.00 C ATOM 982 O CYS A 62 4.730 -17.268 4.845 1.00 0.00 O ATOM 983 CB CYS A 62 6.305 -15.143 2.909 1.00 0.00 C ATOM 984 SG CYS A 62 6.171 -13.582 2.004 1.00 0.00 S ATOM 0 H CYS A 62 7.288 -13.775 4.484 1.00 0.00 H new ATOM 0 HA CYS A 62 4.624 -14.826 4.302 1.00 0.00 H new ATOM 0 HB2 CYS A 62 7.359 -15.403 3.006 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.835 -15.931 2.321 1.00 0.00 H new ATOM 0 HG CYS A 62 7.277 -12.911 2.130 1.00 0.00 H new ATOM 990 N GLU A 63 6.824 -16.868 5.577 1.00 0.00 N ATOM 991 CA GLU A 63 6.949 -18.173 6.252 1.00 0.00 C ATOM 992 C GLU A 63 5.655 -18.545 7.010 1.00 0.00 C ATOM 993 O GLU A 63 5.150 -19.663 6.901 1.00 0.00 O ATOM 994 CB GLU A 63 8.138 -18.161 7.215 1.00 0.00 C ATOM 995 CG GLU A 63 8.377 -19.481 7.935 1.00 0.00 C ATOM 996 CD GLU A 63 9.600 -19.413 8.807 1.00 0.00 C ATOM 997 OE1 GLU A 63 10.215 -18.375 8.857 1.00 0.00 O ATOM 998 OE2 GLU A 63 9.857 -20.362 9.510 1.00 0.00 O ATOM 0 H GLU A 63 7.648 -16.272 5.652 1.00 0.00 H new ATOM 0 HA GLU A 63 7.117 -18.929 5.485 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.037 -17.896 6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.980 -17.379 7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.507 -19.729 8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.493 -20.281 7.204 1.00 0.00 H new ATOM 1005 N LEU A 64 5.140 -17.601 7.788 1.00 0.00 N ATOM 1006 CA LEU A 64 3.927 -17.799 8.581 1.00 0.00 C ATOM 1007 C LEU A 64 2.720 -17.253 7.802 1.00 0.00 C ATOM 1008 O LEU A 64 1.856 -18.012 7.367 1.00 0.00 O ATOM 1009 CB LEU A 64 4.056 -17.114 9.947 1.00 0.00 C ATOM 1010 CG LEU A 64 5.170 -17.660 10.850 1.00 0.00 C ATOM 1011 CD1 LEU A 64 5.234 -16.859 12.143 1.00 0.00 C ATOM 1012 CD2 LEU A 64 4.915 -19.132 11.138 1.00 0.00 C ATOM 0 H LEU A 64 5.551 -16.673 7.889 1.00 0.00 H new ATOM 0 HA LEU A 64 3.782 -18.864 8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.229 -16.050 9.787 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.106 -17.207 10.473 1.00 0.00 H new ATOM 0 HG LEU A 64 6.130 -17.564 10.343 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.028 -17.254 12.777 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.440 -15.813 11.914 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.280 -16.935 12.666 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.706 -19.520 11.779 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.954 -19.243 11.640 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.902 -19.689 10.201 1.00 0.00 H new ATOM 1024 N ILE A 65 2.691 -15.926 7.633 1.00 0.00 N ATOM 1025 CA ILE A 65 1.638 -15.231 6.878 1.00 0.00 C ATOM 1026 C ILE A 65 2.017 -13.756 6.642 1.00 0.00 C ATOM 1027 O ILE A 65 2.782 -13.163 7.406 1.00 0.00 O ATOM 1028 CB ILE A 65 0.283 -15.299 7.606 1.00 0.00 C ATOM 1029 CG1 ILE A 65 -0.850 -14.884 6.664 1.00 0.00 C ATOM 1030 CG2 ILE A 65 0.299 -14.416 8.845 1.00 0.00 C ATOM 1031 CD1 ILE A 65 -2.227 -15.264 7.160 1.00 0.00 C ATOM 0 H ILE A 65 3.399 -15.300 8.017 1.00 0.00 H new ATOM 0 HA ILE A 65 1.543 -15.738 5.918 1.00 0.00 H new ATOM 0 HB ILE A 65 0.110 -16.328 7.921 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.812 -13.804 6.518 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.686 -15.343 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.667 -14.476 9.347 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.082 -14.755 9.523 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.493 -13.384 8.554 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.976 -14.937 6.439 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.285 -16.346 7.278 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.413 -14.783 8.120 1.00 0.00 H new ATOM 1043 N THR A 66 1.482 -13.163 5.574 1.00 0.00 N ATOM 1044 CA THR A 66 1.861 -11.796 5.163 1.00 0.00 C ATOM 1045 C THR A 66 0.766 -10.767 5.521 1.00 0.00 C ATOM 1046 O THR A 66 1.012 -9.563 5.568 1.00 0.00 O ATOM 1047 CB THR A 66 2.142 -11.723 3.652 1.00 0.00 C ATOM 1048 OG1 THR A 66 0.944 -12.026 2.924 1.00 0.00 O ATOM 1049 CG2 THR A 66 3.231 -12.712 3.263 1.00 0.00 C ATOM 0 H THR A 66 0.784 -13.602 4.973 1.00 0.00 H new ATOM 0 HA THR A 66 2.770 -11.550 5.711 1.00 0.00 H new ATOM 0 HB THR A 66 2.477 -10.715 3.409 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.005 -12.932 2.556 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.416 -12.646 2.191 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.147 -12.476 3.805 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.911 -13.723 3.514 1.00 0.00 H new ATOM 1057 N GLY A 67 -0.446 -11.255 5.782 1.00 0.00 N ATOM 1058 CA GLY A 67 -1.633 -10.409 5.732 1.00 0.00 C ATOM 1059 C GLY A 67 -2.343 -10.407 4.377 1.00 0.00 C ATOM 1060 O GLY A 67 -3.530 -10.081 4.291 1.00 0.00 O ATOM 0 H GLY A 67 -0.629 -12.228 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.335 -10.741 6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.348 -9.387 5.982 1.00 0.00 H new ATOM 1064 N GLU A 68 -1.618 -10.781 3.322 1.00 0.00 N ATOM 1065 CA GLU A 68 -2.215 -11.014 2.001 1.00 0.00 C ATOM 1066 C GLU A 68 -2.451 -12.503 1.688 1.00 0.00 C ATOM 1067 O GLU A 68 -3.244 -12.836 0.809 1.00 0.00 O ATOM 1068 CB GLU A 68 -1.329 -10.395 0.917 1.00 0.00 C ATOM 1069 CG GLU A 68 -1.327 -8.873 0.898 1.00 0.00 C ATOM 1070 CD GLU A 68 -0.636 -8.314 2.110 1.00 0.00 C ATOM 1071 OE1 GLU A 68 0.459 -8.735 2.394 1.00 0.00 O ATOM 1072 OE2 GLU A 68 -1.151 -7.385 2.688 1.00 0.00 O ATOM 0 H GLU A 68 -0.610 -10.931 3.355 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.195 -10.538 2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.306 -10.746 1.057 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.660 -10.758 -0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.828 -8.519 -0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.353 -8.506 0.860 1.00 0.00 H new ATOM 1079 N PHE A 69 -1.754 -13.390 2.395 1.00 0.00 N ATOM 1080 CA PHE A 69 -1.910 -14.842 2.191 1.00 0.00 C ATOM 1081 C PHE A 69 -3.152 -15.410 2.908 1.00 0.00 C ATOM 1082 O PHE A 69 -3.323 -16.629 2.997 1.00 0.00 O ATOM 1083 CB PHE A 69 -0.656 -15.574 2.670 1.00 0.00 C ATOM 1084 CG PHE A 69 0.546 -15.353 1.796 1.00 0.00 C ATOM 1085 CD1 PHE A 69 0.450 -14.593 0.640 1.00 0.00 C ATOM 1086 CD2 PHE A 69 1.774 -15.905 2.127 1.00 0.00 C ATOM 1087 CE1 PHE A 69 1.555 -14.389 -0.165 1.00 0.00 C ATOM 1088 CE2 PHE A 69 2.881 -15.701 1.324 1.00 0.00 C ATOM 1089 CZ PHE A 69 2.770 -14.942 0.177 1.00 0.00 C ATOM 0 H PHE A 69 -1.076 -13.137 3.114 1.00 0.00 H new ATOM 0 HA PHE A 69 -2.051 -15.003 1.122 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.421 -15.249 3.684 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.867 -16.642 2.719 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.499 -14.156 0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.867 -16.501 3.023 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.466 -13.796 -1.063 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.832 -16.136 1.594 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.634 -14.782 -0.451 1.00 0.00 H new ATOM 1099 N ASP A 70 -4.006 -14.524 3.419 1.00 0.00 N ATOM 1100 CA ASP A 70 -5.225 -14.923 4.134 1.00 0.00 C ATOM 1101 C ASP A 70 -6.215 -15.654 3.190 1.00 0.00 C ATOM 1102 O ASP A 70 -6.741 -15.057 2.249 1.00 0.00 O ATOM 1103 CB ASP A 70 -5.895 -13.699 4.763 1.00 0.00 C ATOM 1104 CG ASP A 70 -7.154 -14.012 5.561 1.00 0.00 C ATOM 1105 OD1 ASP A 70 -7.615 -15.126 5.493 1.00 0.00 O ATOM 1106 OD2 ASP A 70 -7.553 -13.188 6.349 1.00 0.00 O ATOM 0 H ASP A 70 -3.877 -13.514 3.352 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.941 -15.617 4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.178 -13.204 5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.147 -12.991 3.973 1.00 0.00 H new ATOM 1111 N PRO A 71 -6.488 -16.957 3.439 1.00 0.00 N ATOM 1112 CA PRO A 71 -7.444 -17.759 2.631 1.00 0.00 C ATOM 1113 C PRO A 71 -8.869 -17.166 2.497 1.00 0.00 C ATOM 1114 O PRO A 71 -9.584 -17.490 1.547 1.00 0.00 O ATOM 1115 CB PRO A 71 -7.472 -19.104 3.364 1.00 0.00 C ATOM 1116 CG PRO A 71 -6.149 -19.181 4.049 1.00 0.00 C ATOM 1117 CD PRO A 71 -5.850 -17.776 4.497 1.00 0.00 C ATOM 0 HA PRO A 71 -7.117 -17.808 1.593 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -8.293 -19.150 4.079 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.608 -19.933 2.669 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.185 -19.865 4.897 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.378 -19.551 3.374 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.270 -17.566 5.481 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.778 -17.591 4.562 1.00 0.00 H new ATOM 1125 N LYS A 72 -9.289 -16.313 3.432 1.00 0.00 N ATOM 1126 CA LYS A 72 -10.655 -15.761 3.409 1.00 0.00 C ATOM 1127 C LYS A 72 -10.833 -14.769 2.241 1.00 0.00 C ATOM 1128 O LYS A 72 -11.935 -14.606 1.715 1.00 0.00 O ATOM 1129 CB LYS A 72 -10.979 -15.076 4.738 1.00 0.00 C ATOM 1130 CG LYS A 72 -11.129 -16.028 5.916 1.00 0.00 C ATOM 1131 CD LYS A 72 -11.438 -15.275 7.201 1.00 0.00 C ATOM 1132 CE LYS A 72 -11.591 -16.225 8.379 1.00 0.00 C ATOM 1133 NZ LYS A 72 -11.862 -15.499 9.649 1.00 0.00 N ATOM 0 H LYS A 72 -8.714 -15.988 4.209 1.00 0.00 H new ATOM 0 HA LYS A 72 -11.349 -16.589 3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -10.190 -14.358 4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -11.903 -14.509 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.927 -16.742 5.710 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.211 -16.603 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.639 -14.563 7.408 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.355 -14.699 7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.405 -16.922 8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -10.683 -16.818 8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.959 -16.183 10.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.074 -14.852 9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.742 -14.953 9.556 1.00 0.00 H new ATOM 1147 N LEU A 73 -9.746 -14.103 1.848 1.00 0.00 N ATOM 1148 CA LEU A 73 -9.815 -13.034 0.839 1.00 0.00 C ATOM 1149 C LEU A 73 -9.343 -13.518 -0.544 1.00 0.00 C ATOM 1150 O LEU A 73 -9.724 -12.950 -1.568 1.00 0.00 O ATOM 1151 CB LEU A 73 -8.980 -11.830 1.292 1.00 0.00 C ATOM 1152 CG LEU A 73 -9.429 -11.183 2.608 1.00 0.00 C ATOM 1153 CD1 LEU A 73 -8.478 -10.055 2.987 1.00 0.00 C ATOM 1154 CD2 LEU A 73 -10.850 -10.660 2.459 1.00 0.00 C ATOM 0 H LEU A 73 -8.809 -14.281 2.209 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.859 -12.737 0.743 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.942 -12.146 1.397 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.005 -11.074 0.507 1.00 0.00 H new ATOM 0 HG LEU A 73 -9.410 -11.928 3.403 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.805 -9.602 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.471 -10.454 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.476 -9.301 2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.169 -10.200 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.883 -9.919 1.661 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -11.518 -11.486 2.215 1.00 0.00 H new ATOM 1166 N LEU A 74 -8.514 -14.559 -0.572 1.00 0.00 N ATOM 1167 CA LEU A 74 -8.045 -15.139 -1.837 1.00 0.00 C ATOM 1168 C LEU A 74 -8.932 -16.336 -2.241 1.00 0.00 C ATOM 1169 O LEU A 74 -8.923 -17.373 -1.573 1.00 0.00 O ATOM 1170 CB LEU A 74 -6.578 -15.569 -1.716 1.00 0.00 C ATOM 1171 CG LEU A 74 -6.038 -16.386 -2.896 1.00 0.00 C ATOM 1172 CD1 LEU A 74 -6.080 -15.554 -4.170 1.00 0.00 C ATOM 1173 CD2 LEU A 74 -4.616 -16.837 -2.594 1.00 0.00 C ATOM 0 H LEU A 74 -8.152 -15.020 0.262 1.00 0.00 H new ATOM 0 HA LEU A 74 -8.117 -14.380 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.963 -14.677 -1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.462 -16.156 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.662 -17.267 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.694 -16.143 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.109 -15.260 -4.379 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.467 -14.662 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.233 -17.418 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.983 -15.964 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.613 -17.453 -1.695 1.00 0.00 H new ATOM 1185 N PRO A 75 -9.710 -16.205 -3.337 1.00 0.00 N ATOM 1186 CA PRO A 75 -10.434 -17.339 -3.943 1.00 0.00 C ATOM 1187 C PRO A 75 -9.501 -18.396 -4.558 1.00 0.00 C ATOM 1188 O PRO A 75 -8.456 -18.074 -5.124 1.00 0.00 O ATOM 1189 CB PRO A 75 -11.316 -16.677 -5.008 1.00 0.00 C ATOM 1190 CG PRO A 75 -10.553 -15.465 -5.420 1.00 0.00 C ATOM 1191 CD PRO A 75 -9.885 -14.968 -4.166 1.00 0.00 C ATOM 0 HA PRO A 75 -11.002 -17.897 -3.199 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.488 -17.344 -5.852 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -12.294 -16.413 -4.606 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -9.818 -15.706 -6.188 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.215 -14.707 -5.839 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -8.928 -14.494 -4.384 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -10.498 -14.227 -3.653 1.00 0.00 H new ATOM 1199 N TYR A 76 -9.882 -19.669 -4.453 1.00 0.00 N ATOM 1200 CA TYR A 76 -8.985 -20.760 -4.841 1.00 0.00 C ATOM 1201 C TYR A 76 -9.565 -21.633 -5.966 1.00 0.00 C ATOM 1202 O TYR A 76 -10.654 -22.193 -5.850 1.00 0.00 O ATOM 1203 CB TYR A 76 -8.663 -21.630 -3.624 1.00 0.00 C ATOM 1204 CG TYR A 76 -7.811 -20.937 -2.583 1.00 0.00 C ATOM 1205 CD1 TYR A 76 -6.457 -20.727 -2.798 1.00 0.00 C ATOM 1206 CD2 TYR A 76 -8.361 -20.498 -1.388 1.00 0.00 C ATOM 1207 CE1 TYR A 76 -5.674 -20.096 -1.852 1.00 0.00 C ATOM 1208 CE2 TYR A 76 -7.587 -19.865 -0.435 1.00 0.00 C ATOM 1209 CZ TYR A 76 -6.242 -19.666 -0.671 1.00 0.00 C ATOM 1210 OH TYR A 76 -5.466 -19.037 0.275 1.00 0.00 O ATOM 0 H TYR A 76 -10.793 -19.969 -4.107 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.074 -20.302 -5.225 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.597 -21.950 -3.161 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -8.149 -22.531 -3.959 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.008 -21.063 -3.721 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.413 -20.654 -1.199 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.621 -19.940 -2.036 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.032 -19.528 0.490 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.542 -18.977 -0.047 1.00 0.00 H new ATOM 1220 N ASP A 77 -8.829 -21.720 -7.070 1.00 0.00 N ATOM 1221 CA ASP A 77 -9.007 -22.801 -8.046 1.00 0.00 C ATOM 1222 C ASP A 77 -8.189 -24.023 -7.597 1.00 0.00 C ATOM 1223 O ASP A 77 -7.381 -23.914 -6.680 1.00 0.00 O ATOM 1224 CB ASP A 77 -8.582 -22.351 -9.447 1.00 0.00 C ATOM 1225 CG ASP A 77 -9.204 -23.156 -10.580 1.00 0.00 C ATOM 1226 OD1 ASP A 77 -9.870 -24.124 -10.299 1.00 0.00 O ATOM 1227 OD2 ASP A 77 -9.138 -22.713 -11.702 1.00 0.00 O ATOM 0 H ASP A 77 -8.098 -21.052 -7.316 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.063 -23.068 -8.094 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.847 -21.301 -9.575 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -7.497 -22.417 -9.523 1.00 0.00 H new ATOM 1232 N LYS A 78 -8.379 -25.173 -8.242 1.00 0.00 N ATOM 1233 CA LYS A 78 -7.627 -26.389 -7.891 1.00 0.00 C ATOM 1234 C LYS A 78 -6.103 -26.172 -8.026 1.00 0.00 C ATOM 1235 O LYS A 78 -5.337 -26.398 -7.079 1.00 0.00 O ATOM 1236 CB LYS A 78 -8.073 -27.559 -8.769 1.00 0.00 C ATOM 1237 CG LYS A 78 -7.364 -28.874 -8.473 1.00 0.00 C ATOM 1238 CD LYS A 78 -7.894 -29.999 -9.349 1.00 0.00 C ATOM 1239 CE LYS A 78 -7.155 -31.303 -9.084 1.00 0.00 C ATOM 1240 NZ LYS A 78 -7.649 -32.408 -9.950 1.00 0.00 N ATOM 0 H LYS A 78 -9.042 -25.294 -9.007 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.840 -26.622 -6.848 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.146 -27.703 -8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.906 -27.297 -9.814 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.293 -28.757 -8.637 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.499 -29.134 -7.423 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.959 -30.138 -9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.788 -29.726 -10.399 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.089 -31.157 -9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.274 -31.581 -8.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.120 -33.278 -9.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.661 -32.565 -9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.512 -32.154 -10.949 1.00 0.00 H new ATOM 1254 N ARG A 79 -5.675 -25.687 -9.192 1.00 0.00 N ATOM 1255 CA ARG A 79 -4.247 -25.482 -9.468 1.00 0.00 C ATOM 1256 C ARG A 79 -3.690 -24.281 -8.693 1.00 0.00 C ATOM 1257 O ARG A 79 -2.589 -24.348 -8.137 1.00 0.00 O ATOM 1258 CB ARG A 79 -3.965 -25.359 -10.958 1.00 0.00 C ATOM 1259 CG ARG A 79 -4.206 -26.628 -11.761 1.00 0.00 C ATOM 1260 CD ARG A 79 -4.167 -26.437 -13.233 1.00 0.00 C ATOM 1261 NE ARG A 79 -4.483 -27.628 -14.004 1.00 0.00 N ATOM 1262 CZ ARG A 79 -4.718 -27.642 -15.331 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -4.711 -26.529 -16.031 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -4.980 -28.803 -15.907 1.00 0.00 N ATOM 0 H ARG A 79 -6.293 -25.428 -9.961 1.00 0.00 H new ATOM 0 HA ARG A 79 -3.726 -26.372 -9.116 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.588 -24.564 -11.367 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.928 -25.052 -11.093 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.456 -27.368 -11.483 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.177 -27.039 -11.485 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -4.869 -25.648 -13.503 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.173 -26.090 -13.515 1.00 0.00 H new ATOM 0 HE ARG A 79 -4.530 -28.516 -13.505 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.526 -25.638 -15.570 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -4.891 -26.557 -17.035 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -5.000 -29.656 -15.349 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.162 -28.845 -16.910 1.00 0.00 H new ATOM 1278 N LEU A 80 -4.449 -23.187 -8.670 1.00 0.00 N ATOM 1279 CA LEU A 80 -4.119 -22.020 -7.841 1.00 0.00 C ATOM 1280 C LEU A 80 -3.948 -22.413 -6.364 1.00 0.00 C ATOM 1281 O LEU A 80 -2.969 -22.033 -5.715 1.00 0.00 O ATOM 1282 CB LEU A 80 -5.203 -20.944 -7.987 1.00 0.00 C ATOM 1283 CG LEU A 80 -4.833 -19.564 -7.430 1.00 0.00 C ATOM 1284 CD1 LEU A 80 -5.730 -18.496 -8.044 1.00 0.00 C ATOM 1285 CD2 LEU A 80 -4.965 -19.574 -5.915 1.00 0.00 C ATOM 0 H LEU A 80 -5.303 -23.080 -9.218 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.169 -21.616 -8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.447 -20.838 -9.044 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.106 -21.291 -7.485 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.800 -19.332 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.460 -17.519 -7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.602 -18.491 -9.126 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.771 -18.712 -7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.702 -18.593 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.993 -19.812 -5.641 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.295 -20.325 -5.496 1.00 0.00 H new ATOM 1297 N ALA A 81 -4.892 -23.205 -5.852 1.00 0.00 N ATOM 1298 CA ALA A 81 -4.883 -23.615 -4.444 1.00 0.00 C ATOM 1299 C ALA A 81 -3.569 -24.291 -4.049 1.00 0.00 C ATOM 1300 O ALA A 81 -2.851 -23.782 -3.192 1.00 0.00 O ATOM 1301 CB ALA A 81 -6.057 -24.536 -4.140 1.00 0.00 C ATOM 0 H ALA A 81 -5.674 -23.576 -6.391 1.00 0.00 H new ATOM 0 HA ALA A 81 -4.980 -22.707 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.029 -24.827 -3.090 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -6.992 -24.015 -4.347 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.992 -25.427 -4.765 1.00 0.00 H new ATOM 1307 N TRP A 82 -3.244 -25.426 -4.684 1.00 0.00 N ATOM 1308 CA TRP A 82 -2.030 -26.171 -4.320 1.00 0.00 C ATOM 1309 C TRP A 82 -0.770 -25.311 -4.474 1.00 0.00 C ATOM 1310 O TRP A 82 -0.026 -25.120 -3.521 1.00 0.00 O ATOM 1311 CB TRP A 82 -1.908 -27.434 -5.174 1.00 0.00 C ATOM 1312 CG TRP A 82 -0.666 -28.226 -4.896 1.00 0.00 C ATOM 1313 CD1 TRP A 82 0.491 -28.207 -5.616 1.00 0.00 C ATOM 1314 CD2 TRP A 82 -0.456 -29.151 -3.822 1.00 0.00 C ATOM 1315 NE1 TRP A 82 1.409 -29.063 -5.060 1.00 0.00 N ATOM 1316 CE2 TRP A 82 0.850 -29.655 -3.954 1.00 0.00 C ATOM 1317 CE3 TRP A 82 -1.249 -29.602 -2.759 1.00 0.00 C ATOM 1318 CZ2 TRP A 82 1.382 -30.582 -3.074 1.00 0.00 C ATOM 1319 CZ3 TRP A 82 -0.715 -30.532 -1.874 1.00 0.00 C ATOM 1320 CH2 TRP A 82 0.563 -31.008 -2.028 1.00 0.00 C ATOM 0 H TRP A 82 -3.792 -25.842 -5.437 1.00 0.00 H new ATOM 0 HA TRP A 82 -2.118 -26.451 -3.270 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -2.779 -28.066 -5.000 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -1.923 -27.154 -6.227 1.00 0.00 H new ATOM 0 HD1 TRP A 82 0.661 -27.605 -6.497 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.352 -29.232 -5.411 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -2.256 -29.234 -2.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 2.387 -30.959 -3.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -1.317 -30.886 -1.050 1.00 0.00 H new ATOM 0 HH2 TRP A 82 0.944 -31.731 -1.322 1.00 0.00 H new ATOM 1331 N HIS A 83 -0.552 -24.770 -5.671 1.00 0.00 N ATOM 1332 CA HIS A 83 0.760 -24.223 -6.038 1.00 0.00 C ATOM 1333 C HIS A 83 1.062 -22.913 -5.300 1.00 0.00 C ATOM 1334 O HIS A 83 2.168 -22.721 -4.803 1.00 0.00 O ATOM 1335 CB HIS A 83 0.842 -23.994 -7.551 1.00 0.00 C ATOM 1336 CG HIS A 83 0.786 -25.258 -8.353 1.00 0.00 C ATOM 1337 ND1 HIS A 83 -0.383 -25.734 -8.908 1.00 0.00 N ATOM 1338 CD2 HIS A 83 1.752 -26.142 -8.693 1.00 0.00 C ATOM 1339 CE1 HIS A 83 -0.132 -26.858 -9.556 1.00 0.00 C ATOM 1340 NE2 HIS A 83 1.155 -27.127 -9.440 1.00 0.00 N ATOM 0 H HIS A 83 -1.260 -24.697 -6.402 1.00 0.00 H new ATOM 0 HA HIS A 83 1.508 -24.957 -5.740 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.023 -23.343 -7.856 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.769 -23.469 -7.781 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -1.297 -25.289 -8.831 1.00 0.00 H new ATOM 0 HD2 HIS A 83 2.797 -26.084 -8.427 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.857 -27.455 -10.090 1.00 0.00 H new ATOM 1345 N PHE A 84 0.079 -22.025 -5.207 1.00 0.00 N ATOM 1346 CA PHE A 84 0.237 -20.794 -4.424 1.00 0.00 C ATOM 1347 C PHE A 84 0.427 -21.081 -2.916 1.00 0.00 C ATOM 1348 O PHE A 84 1.405 -20.639 -2.310 1.00 0.00 O ATOM 1349 CB PHE A 84 -0.973 -19.882 -4.635 1.00 0.00 C ATOM 1350 CG PHE A 84 -1.044 -19.280 -6.010 1.00 0.00 C ATOM 1351 CD1 PHE A 84 -0.393 -19.877 -7.079 1.00 0.00 C ATOM 1352 CD2 PHE A 84 -1.761 -18.114 -6.236 1.00 0.00 C ATOM 1353 CE1 PHE A 84 -0.457 -19.322 -8.343 1.00 0.00 C ATOM 1354 CE2 PHE A 84 -1.828 -17.559 -7.499 1.00 0.00 C ATOM 1355 CZ PHE A 84 -1.175 -18.164 -8.554 1.00 0.00 C ATOM 0 H PHE A 84 -0.830 -22.128 -5.658 1.00 0.00 H new ATOM 0 HA PHE A 84 1.140 -20.296 -4.777 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -1.883 -20.453 -4.451 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -0.945 -19.080 -3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 84 0.170 -20.785 -6.922 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -2.273 -17.635 -5.415 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.056 -19.796 -9.167 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -2.391 -16.652 -7.661 1.00 0.00 H new ATOM 0 HZ PHE A 84 -1.226 -17.731 -9.542 1.00 0.00 H new ATOM 1365 N LYS A 85 -0.496 -21.831 -2.312 1.00 0.00 N ATOM 1366 CA LYS A 85 -0.429 -22.122 -0.868 1.00 0.00 C ATOM 1367 C LYS A 85 0.815 -22.963 -0.514 1.00 0.00 C ATOM 1368 O LYS A 85 1.518 -22.669 0.452 1.00 0.00 O ATOM 1369 CB LYS A 85 -1.697 -22.846 -0.412 1.00 0.00 C ATOM 1370 CG LYS A 85 -1.756 -23.130 1.082 1.00 0.00 C ATOM 1371 CD LYS A 85 -3.074 -23.782 1.471 1.00 0.00 C ATOM 1372 CE LYS A 85 -3.122 -24.095 2.958 1.00 0.00 C ATOM 1373 NZ LYS A 85 -4.390 -24.770 3.346 1.00 0.00 N ATOM 0 H LYS A 85 -1.295 -22.248 -2.790 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.350 -21.169 -0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.563 -22.246 -0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -1.776 -23.789 -0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.929 -23.782 1.363 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.631 -22.200 1.636 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.900 -23.120 1.210 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.210 -24.701 0.900 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -2.277 -24.731 3.222 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.015 -23.171 3.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.381 -24.965 4.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.196 -24.153 3.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.481 -25.665 2.823 1.00 0.00 H new ATOM 1387 N GLU A 86 1.081 -23.996 -1.307 1.00 0.00 N ATOM 1388 CA GLU A 86 2.175 -24.944 -1.040 1.00 0.00 C ATOM 1389 C GLU A 86 3.555 -24.268 -1.129 1.00 0.00 C ATOM 1390 O GLU A 86 4.430 -24.509 -0.298 1.00 0.00 O ATOM 1391 CB GLU A 86 2.107 -26.121 -2.016 1.00 0.00 C ATOM 1392 CG GLU A 86 3.069 -27.257 -1.697 1.00 0.00 C ATOM 1393 CD GLU A 86 2.676 -27.968 -0.432 1.00 0.00 C ATOM 1394 OE1 GLU A 86 1.505 -28.199 -0.242 1.00 0.00 O ATOM 1395 OE2 GLU A 86 3.552 -28.378 0.292 1.00 0.00 O ATOM 0 H GLU A 86 0.550 -24.206 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 86 2.048 -25.309 -0.021 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.090 -26.513 -2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.315 -25.756 -3.022 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.085 -27.966 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.080 -26.862 -1.596 1.00 0.00 H new ATOM 1402 N PHE A 87 3.736 -23.418 -2.133 1.00 0.00 N ATOM 1403 CA PHE A 87 5.019 -22.743 -2.362 1.00 0.00 C ATOM 1404 C PHE A 87 5.223 -21.562 -1.396 1.00 0.00 C ATOM 1405 O PHE A 87 6.275 -21.436 -0.773 1.00 0.00 O ATOM 1406 CB PHE A 87 5.088 -22.250 -3.815 1.00 0.00 C ATOM 1407 CG PHE A 87 6.427 -21.689 -4.229 1.00 0.00 C ATOM 1408 CD1 PHE A 87 7.493 -22.537 -4.500 1.00 0.00 C ATOM 1409 CD2 PHE A 87 6.617 -20.322 -4.368 1.00 0.00 C ATOM 1410 CE1 PHE A 87 8.717 -22.034 -4.896 1.00 0.00 C ATOM 1411 CE2 PHE A 87 7.839 -19.816 -4.769 1.00 0.00 C ATOM 1412 CZ PHE A 87 8.889 -20.671 -5.031 1.00 0.00 C ATOM 0 H PHE A 87 3.010 -23.176 -2.807 1.00 0.00 H new ATOM 0 HA PHE A 87 5.817 -23.462 -2.176 1.00 0.00 H new ATOM 0 HB2 PHE A 87 4.836 -23.078 -4.477 1.00 0.00 H new ATOM 0 HB3 PHE A 87 4.327 -21.483 -3.960 1.00 0.00 H new ATOM 0 HD1 PHE A 87 7.363 -23.604 -4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.801 -19.646 -4.161 1.00 0.00 H new ATOM 0 HE1 PHE A 87 9.538 -22.706 -5.100 1.00 0.00 H new ATOM 0 HE2 PHE A 87 7.972 -18.750 -4.877 1.00 0.00 H new ATOM 0 HZ PHE A 87 9.845 -20.275 -5.341 1.00 0.00 H new ATOM 1422 N CYS A 88 4.208 -20.701 -1.274 1.00 0.00 N ATOM 1423 CA CYS A 88 4.353 -19.428 -0.545 1.00 0.00 C ATOM 1424 C CYS A 88 3.897 -19.515 0.922 1.00 0.00 C ATOM 1425 O CYS A 88 4.533 -18.955 1.812 1.00 0.00 O ATOM 1426 CB CYS A 88 3.429 -18.498 -1.332 1.00 0.00 C ATOM 1427 SG CYS A 88 3.896 -18.267 -3.064 1.00 0.00 S ATOM 0 H CYS A 88 3.280 -20.857 -1.667 1.00 0.00 H new ATOM 0 HA CYS A 88 5.392 -19.104 -0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 88 2.415 -18.895 -1.292 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.410 -17.525 -0.841 1.00 0.00 H new ATOM 0 HG CYS A 88 2.860 -18.467 -3.823 1.00 0.00 H new ATOM 1433 N TYR A 89 2.797 -20.228 1.176 1.00 0.00 N ATOM 1434 CA TYR A 89 2.141 -20.203 2.498 1.00 0.00 C ATOM 1435 C TYR A 89 2.480 -21.448 3.343 1.00 0.00 C ATOM 1436 O TYR A 89 1.891 -21.685 4.399 1.00 0.00 O ATOM 1437 CB TYR A 89 0.617 -20.068 2.312 1.00 0.00 C ATOM 1438 CG TYR A 89 -0.157 -19.829 3.601 1.00 0.00 C ATOM 1439 CD1 TYR A 89 0.038 -18.667 4.341 1.00 0.00 C ATOM 1440 CD2 TYR A 89 -1.082 -20.757 4.075 1.00 0.00 C ATOM 1441 CE1 TYR A 89 -0.660 -18.438 5.511 1.00 0.00 C ATOM 1442 CE2 TYR A 89 -1.783 -20.532 5.245 1.00 0.00 C ATOM 1443 CZ TYR A 89 -1.569 -19.372 5.959 1.00 0.00 C ATOM 1444 OH TYR A 89 -2.269 -19.142 7.126 1.00 0.00 O ATOM 0 H TYR A 89 2.339 -20.829 0.491 1.00 0.00 H new ATOM 0 HA TYR A 89 2.521 -19.341 3.046 1.00 0.00 H new ATOM 0 HB2 TYR A 89 0.419 -19.244 1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 89 0.240 -20.975 1.839 1.00 0.00 H new ATOM 0 HD1 TYR A 89 0.748 -17.931 3.994 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -1.254 -21.667 3.519 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.494 -17.530 6.072 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -2.496 -21.262 5.599 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.870 -19.896 7.301 1.00 0.00 H new ATOM 1454 N LYS A 90 3.447 -22.237 2.886 1.00 0.00 N ATOM 1455 CA LYS A 90 3.874 -23.430 3.626 1.00 0.00 C ATOM 1456 C LYS A 90 4.396 -23.076 5.028 1.00 0.00 C ATOM 1457 O LYS A 90 5.470 -22.504 5.184 1.00 0.00 O ATOM 1458 CB LYS A 90 4.950 -24.182 2.841 1.00 0.00 C ATOM 1459 CG LYS A 90 5.249 -25.580 3.365 1.00 0.00 C ATOM 1460 CD LYS A 90 4.116 -26.545 3.045 1.00 0.00 C ATOM 1461 CE LYS A 90 4.445 -27.958 3.502 1.00 0.00 C ATOM 1462 NZ LYS A 90 3.396 -28.932 3.099 1.00 0.00 N ATOM 0 H LYS A 90 3.950 -22.078 2.013 1.00 0.00 H new ATOM 0 HA LYS A 90 3.001 -24.071 3.749 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.637 -24.257 1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.870 -23.597 2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.176 -25.945 2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 90 5.403 -25.541 4.443 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.201 -26.208 3.531 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.926 -26.543 1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.403 -28.262 3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.555 -27.972 4.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.683 -29.890 3.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 2.498 -28.687 3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.272 -28.902 2.067 1.00 0.00 H new ATOM 1476 N THR A 91 3.625 -23.422 6.054 1.00 0.00 N ATOM 1477 CA THR A 91 4.078 -23.264 7.445 1.00 0.00 C ATOM 1478 C THR A 91 4.689 -24.557 8.016 1.00 0.00 C ATOM 1479 O THR A 91 5.353 -24.541 9.055 1.00 0.00 O ATOM 1480 CB THR A 91 2.922 -22.816 8.359 1.00 0.00 C ATOM 1481 OG1 THR A 91 1.896 -23.816 8.359 1.00 0.00 O ATOM 1482 CG2 THR A 91 2.339 -21.497 7.875 1.00 0.00 C ATOM 0 H THR A 91 2.688 -23.812 5.957 1.00 0.00 H new ATOM 0 HA THR A 91 4.852 -22.497 7.423 1.00 0.00 H new ATOM 0 HB THR A 91 3.309 -22.681 9.369 1.00 0.00 H new ATOM 0 HG1 THR A 91 1.162 -23.531 8.942 1.00 0.00 H new ATOM 0 HG21 THR A 91 1.524 -21.196 8.533 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.114 -20.731 7.885 1.00 0.00 H new ATOM 0 HG23 THR A 91 1.961 -21.617 6.860 1.00 0.00 H new ATOM 1490 N SER A 92 4.470 -25.671 7.326 1.00 0.00 N ATOM 1491 CA SER A 92 4.992 -26.975 7.760 1.00 0.00 C ATOM 1492 C SER A 92 6.307 -27.321 7.051 1.00 0.00 C ATOM 1493 O SER A 92 6.678 -26.693 6.055 1.00 0.00 O ATOM 1494 CB SER A 92 3.959 -28.057 7.511 1.00 0.00 C ATOM 1495 OG SER A 92 2.807 -27.875 8.288 1.00 0.00 O ATOM 0 H SER A 92 3.933 -25.703 6.459 1.00 0.00 H new ATOM 0 HA SER A 92 5.199 -26.915 8.828 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.687 -28.062 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.395 -29.031 7.732 1.00 0.00 H new ATOM 0 HG SER A 92 2.167 -28.592 8.096 1.00 0.00 H new ATOM 1501 N ALA A 93 7.018 -28.313 7.584 1.00 0.00 N ATOM 1502 CA ALA A 93 8.288 -28.775 7.011 1.00 0.00 C ATOM 1503 C ALA A 93 8.429 -30.296 7.167 1.00 0.00 C ATOM 1504 O ALA A 93 9.031 -30.783 8.126 1.00 0.00 O ATOM 1505 CB ALA A 93 9.463 -28.049 7.661 1.00 0.00 C ATOM 0 H ALA A 93 6.734 -28.820 8.422 1.00 0.00 H new ATOM 0 HA ALA A 93 8.292 -28.543 5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.397 -28.404 7.224 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.367 -26.977 7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.465 -28.247 8.733 1.00 0.00 H new ATOM 1511 N HIS A 94 7.860 -31.036 6.222 1.00 0.00 N ATOM 1512 CA HIS A 94 7.796 -32.504 6.289 1.00 0.00 C ATOM 1513 C HIS A 94 8.812 -33.149 5.318 1.00 0.00 C ATOM 1514 O HIS A 94 9.718 -32.474 4.834 1.00 0.00 O ATOM 1515 CB HIS A 94 6.380 -32.997 5.974 1.00 0.00 C ATOM 1516 CG HIS A 94 5.349 -32.522 6.950 1.00 0.00 C ATOM 1517 ND1 HIS A 94 5.302 -32.961 8.256 1.00 0.00 N ATOM 1518 CD2 HIS A 94 4.324 -31.647 6.810 1.00 0.00 C ATOM 1519 CE1 HIS A 94 4.293 -32.376 8.879 1.00 0.00 C ATOM 1520 NE2 HIS A 94 3.684 -31.575 8.022 1.00 0.00 N ATOM 0 H HIS A 94 7.428 -30.642 5.386 1.00 0.00 H new ATOM 0 HA HIS A 94 8.054 -32.803 7.305 1.00 0.00 H new ATOM 0 HB2 HIS A 94 6.102 -32.664 4.974 1.00 0.00 H new ATOM 0 HB3 HIS A 94 6.379 -34.087 5.959 1.00 0.00 H new ATOM 0 HD2 HIS A 94 4.060 -31.107 5.913 1.00 0.00 H new ATOM 0 HE1 HIS A 94 4.014 -32.527 9.911 1.00 0.00 H new ATOM 0 HE2 HIS A 94 2.870 -30.997 8.228 1.00 0.00 H new ATOM 1525 N GLY A 95 8.681 -34.461 5.073 1.00 0.00 N ATOM 1526 CA GLY A 95 9.599 -35.175 4.181 1.00 0.00 C ATOM 1527 C GLY A 95 9.600 -34.649 2.742 1.00 0.00 C ATOM 1528 O GLY A 95 10.596 -34.790 2.035 1.00 0.00 O ATOM 0 H GLY A 95 7.950 -35.045 5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.609 -35.105 4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.332 -36.232 4.171 1.00 0.00 H new ATOM 1532 N ILE A 96 8.484 -34.052 2.311 1.00 0.00 N ATOM 1533 CA ILE A 96 8.416 -33.352 1.014 1.00 0.00 C ATOM 1534 C ILE A 96 8.292 -31.819 1.196 1.00 0.00 C ATOM 1535 O ILE A 96 7.192 -31.283 1.343 1.00 0.00 O ATOM 1536 CB ILE A 96 7.233 -33.858 0.169 1.00 0.00 C ATOM 1537 CG1 ILE A 96 7.382 -35.354 -0.118 1.00 0.00 C ATOM 1538 CG2 ILE A 96 7.132 -33.071 -1.128 1.00 0.00 C ATOM 1539 CD1 ILE A 96 6.186 -35.965 -0.812 1.00 0.00 C ATOM 0 H ILE A 96 7.611 -34.037 2.839 1.00 0.00 H new ATOM 0 HA ILE A 96 9.349 -33.569 0.494 1.00 0.00 H new ATOM 0 HB ILE A 96 6.313 -33.707 0.734 1.00 0.00 H new ATOM 0 HG12 ILE A 96 8.267 -35.510 -0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 96 7.552 -35.879 0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.291 -33.441 -1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.980 -32.015 -0.902 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.053 -33.191 -1.699 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.367 -37.027 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 96 5.301 -35.843 -0.187 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.027 -35.467 -1.768 1.00 0.00 H new ATOM 1551 N PRO A 97 9.428 -31.089 1.234 1.00 0.00 N ATOM 1552 CA PRO A 97 9.427 -29.624 1.273 1.00 0.00 C ATOM 1553 C PRO A 97 9.185 -28.959 -0.100 1.00 0.00 C ATOM 1554 O PRO A 97 9.097 -27.737 -0.194 1.00 0.00 O ATOM 1555 CB PRO A 97 10.844 -29.338 1.767 1.00 0.00 C ATOM 1556 CG PRO A 97 11.675 -30.454 1.202 1.00 0.00 C ATOM 1557 CD PRO A 97 10.788 -31.687 1.150 1.00 0.00 C ATOM 0 HA PRO A 97 8.622 -29.226 1.891 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.196 -28.367 1.420 1.00 0.00 H new ATOM 0 HB3 PRO A 97 10.889 -29.323 2.856 1.00 0.00 H new ATOM 0 HG2 PRO A 97 12.038 -30.198 0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 97 12.551 -30.635 1.824 1.00 0.00 H new ATOM 0 HD2 PRO A 97 10.929 -32.253 0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.987 -32.368 1.977 1.00 0.00 H new ATOM 1565 N MET A 98 9.083 -29.771 -1.157 1.00 0.00 N ATOM 1566 CA MET A 98 8.911 -29.264 -2.527 1.00 0.00 C ATOM 1567 C MET A 98 7.430 -29.203 -2.943 1.00 0.00 C ATOM 1568 O MET A 98 6.549 -29.683 -2.232 1.00 0.00 O ATOM 1569 CB MET A 98 9.695 -30.137 -3.505 1.00 0.00 C ATOM 1570 CG MET A 98 11.205 -30.096 -3.316 1.00 0.00 C ATOM 1571 SD MET A 98 12.073 -31.236 -4.411 1.00 0.00 S ATOM 1572 CE MET A 98 13.776 -30.796 -4.074 1.00 0.00 C ATOM 0 H MET A 98 9.117 -30.788 -1.092 1.00 0.00 H new ATOM 0 HA MET A 98 9.297 -28.245 -2.551 1.00 0.00 H new ATOM 0 HB2 MET A 98 9.357 -31.168 -3.404 1.00 0.00 H new ATOM 0 HB3 MET A 98 9.460 -29.823 -4.522 1.00 0.00 H new ATOM 0 HG2 MET A 98 11.562 -29.082 -3.496 1.00 0.00 H new ATOM 0 HG3 MET A 98 11.444 -30.339 -2.281 1.00 0.00 H new ATOM 0 HE1 MET A 98 14.438 -31.546 -4.507 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.994 -29.823 -4.513 1.00 0.00 H new ATOM 0 HE3 MET A 98 13.934 -30.751 -2.996 1.00 0.00 H new ATOM 1582 N ILE A 99 7.173 -28.613 -4.113 1.00 0.00 N ATOM 1583 CA ILE A 99 5.815 -28.526 -4.677 1.00 0.00 C ATOM 1584 C ILE A 99 5.235 -29.915 -5.017 1.00 0.00 C ATOM 1585 O ILE A 99 4.017 -30.087 -5.096 1.00 0.00 O ATOM 1586 CB ILE A 99 5.793 -27.651 -5.943 1.00 0.00 C ATOM 1587 CG1 ILE A 99 6.112 -26.195 -5.592 1.00 0.00 C ATOM 1588 CG2 ILE A 99 4.443 -27.750 -6.636 1.00 0.00 C ATOM 1589 CD1 ILE A 99 6.370 -25.319 -6.797 1.00 0.00 C ATOM 0 H ILE A 99 7.892 -28.184 -4.696 1.00 0.00 H new ATOM 0 HA ILE A 99 5.194 -28.070 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 99 6.558 -28.016 -6.628 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.281 -25.778 -5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.987 -26.171 -4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.446 -27.125 -7.529 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.254 -28.786 -6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 99 3.660 -27.410 -5.958 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.589 -24.303 -6.468 1.00 0.00 H new ATOM 0 HD12 ILE A 99 7.220 -25.710 -7.356 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.488 -25.311 -7.437 1.00 0.00 H new ATOM 1601 N GLY A 100 6.105 -30.907 -5.207 1.00 0.00 N ATOM 1602 CA GLY A 100 5.638 -32.234 -5.604 1.00 0.00 C ATOM 1603 C GLY A 100 6.568 -33.386 -5.210 1.00 0.00 C ATOM 1604 O GLY A 100 6.525 -33.878 -4.082 1.00 0.00 O ATOM 0 H GLY A 100 7.115 -30.821 -5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.659 -32.408 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 100 5.503 -32.248 -6.686 1.00 0.00 H new ATOM 1608 N GLU A 101 7.433 -33.788 -6.138 1.00 0.00 N ATOM 1609 CA GLU A 101 8.295 -34.964 -5.950 1.00 0.00 C ATOM 1610 C GLU A 101 9.598 -34.662 -5.197 1.00 0.00 C ATOM 1611 O GLU A 101 10.529 -34.071 -5.745 1.00 0.00 O ATOM 1612 CB GLU A 101 8.624 -35.587 -7.309 1.00 0.00 C ATOM 1613 CG GLU A 101 9.446 -36.865 -7.232 1.00 0.00 C ATOM 1614 CD GLU A 101 9.643 -37.470 -8.594 1.00 0.00 C ATOM 1615 OE1 GLU A 101 9.153 -36.914 -9.547 1.00 0.00 O ATOM 1616 OE2 GLU A 101 10.376 -38.426 -8.698 1.00 0.00 O ATOM 0 H GLU A 101 7.560 -33.317 -7.034 1.00 0.00 H new ATOM 0 HA GLU A 101 7.731 -35.661 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.692 -35.800 -7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.167 -34.856 -7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.416 -36.650 -6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.946 -37.583 -6.582 1.00 0.00 H new ATOM 1623 N ALA A 102 9.651 -35.068 -3.933 1.00 0.00 N ATOM 1624 CA ALA A 102 10.864 -34.937 -3.123 1.00 0.00 C ATOM 1625 C ALA A 102 11.119 -36.231 -2.327 1.00 0.00 C ATOM 1626 O ALA A 102 10.763 -36.333 -1.154 1.00 0.00 O ATOM 1627 CB ALA A 102 10.752 -33.735 -2.195 1.00 0.00 C ATOM 0 H ALA A 102 8.865 -35.493 -3.442 1.00 0.00 H new ATOM 0 HA ALA A 102 11.715 -34.775 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 102 11.661 -33.650 -1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 102 10.620 -32.829 -2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 102 9.895 -33.864 -1.534 1.00 0.00 H new ATOM 1633 N PRO A 103 11.724 -37.251 -2.968 1.00 0.00 N ATOM 1634 CA PRO A 103 12.111 -38.510 -2.295 1.00 0.00 C ATOM 1635 C PRO A 103 13.278 -38.345 -1.301 1.00 0.00 C ATOM 1636 O PRO A 103 14.416 -38.701 -1.608 1.00 0.00 O ATOM 1637 CB PRO A 103 12.487 -39.437 -3.456 1.00 0.00 C ATOM 1638 CG PRO A 103 12.990 -38.518 -4.516 1.00 0.00 C ATOM 1639 CD PRO A 103 12.130 -37.286 -4.417 1.00 0.00 C ATOM 0 HA PRO A 103 11.302 -38.896 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 103 13.250 -40.156 -3.159 1.00 0.00 H new ATOM 0 HB3 PRO A 103 11.626 -40.010 -3.802 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.042 -38.277 -4.360 1.00 0.00 H new ATOM 0 HG3 PRO A 103 12.910 -38.975 -5.502 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.681 -36.389 -4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.263 -37.349 -5.075 1.00 0.00 H new ATOM 1647 N LEU A 104 12.990 -37.795 -0.114 1.00 0.00 N ATOM 1648 CA LEU A 104 14.034 -37.420 0.862 1.00 0.00 C ATOM 1649 C LEU A 104 15.040 -36.418 0.241 1.00 0.00 C ATOM 1650 O LEU A 104 16.230 -36.415 0.564 1.00 0.00 O ATOM 1651 CB LEU A 104 14.763 -38.674 1.362 1.00 0.00 C ATOM 1652 CG LEU A 104 13.858 -39.768 1.944 1.00 0.00 C ATOM 1653 CD1 LEU A 104 14.693 -40.973 2.354 1.00 0.00 C ATOM 1654 CD2 LEU A 104 13.089 -39.214 3.133 1.00 0.00 C ATOM 0 H LEU A 104 12.040 -37.597 0.199 1.00 0.00 H new ATOM 0 HA LEU A 104 13.553 -36.931 1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 104 15.332 -39.098 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 104 15.483 -38.376 2.125 1.00 0.00 H new ATOM 0 HG LEU A 104 13.144 -40.090 1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 104 14.042 -41.744 2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 104 15.216 -41.367 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.421 -40.672 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 104 12.447 -39.992 3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.791 -38.880 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.477 -38.372 2.810 1.00 0.00 H new ATOM 1666 N GLU A 105 14.536 -35.540 -0.622 1.00 0.00 N ATOM 1667 CA GLU A 105 15.352 -34.492 -1.238 1.00 0.00 C ATOM 1668 C GLU A 105 15.099 -33.123 -0.588 1.00 0.00 C ATOM 1669 O GLU A 105 14.219 -32.366 -1.009 1.00 0.00 O ATOM 1670 CB GLU A 105 15.075 -34.421 -2.742 1.00 0.00 C ATOM 1671 CG GLU A 105 15.491 -35.663 -3.517 1.00 0.00 C ATOM 1672 CD GLU A 105 15.268 -35.485 -4.993 1.00 0.00 C ATOM 1673 OE1 GLU A 105 14.792 -34.445 -5.383 1.00 0.00 O ATOM 1674 OE2 GLU A 105 15.674 -36.341 -5.742 1.00 0.00 O ATOM 0 H GLU A 105 13.559 -35.532 -0.914 1.00 0.00 H new ATOM 0 HA GLU A 105 16.399 -34.749 -1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 105 14.009 -34.252 -2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.597 -33.558 -3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.543 -35.876 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 105 14.923 -36.523 -3.162 1.00 0.00 H new ATOM 1681 N HIS A 106 15.865 -32.816 0.451 1.00 0.00 N ATOM 1682 CA HIS A 106 15.697 -31.564 1.185 1.00 0.00 C ATOM 1683 C HIS A 106 16.701 -30.514 0.685 1.00 0.00 C ATOM 1684 O HIS A 106 17.908 -30.757 0.667 1.00 0.00 O ATOM 1685 CB HIS A 106 15.867 -31.789 2.691 1.00 0.00 C ATOM 1686 CG HIS A 106 14.871 -32.742 3.273 1.00 0.00 C ATOM 1687 ND1 HIS A 106 13.618 -32.346 3.690 1.00 0.00 N ATOM 1688 CD2 HIS A 106 14.943 -34.074 3.509 1.00 0.00 C ATOM 1689 CE1 HIS A 106 12.961 -33.394 4.156 1.00 0.00 C ATOM 1690 NE2 HIS A 106 13.743 -34.453 4.057 1.00 0.00 N ATOM 0 H HIS A 106 16.610 -33.416 0.806 1.00 0.00 H new ATOM 0 HA HIS A 106 14.687 -31.196 1.007 1.00 0.00 H new ATOM 0 HB2 HIS A 106 16.872 -32.166 2.882 1.00 0.00 H new ATOM 0 HB3 HIS A 106 15.783 -30.831 3.204 1.00 0.00 H new ATOM 0 HD2 HIS A 106 15.786 -34.717 3.304 1.00 0.00 H new ATOM 0 HE1 HIS A 106 11.956 -33.385 4.551 1.00 0.00 H new ATOM 0 HE2 HIS A 106 13.495 -35.401 4.342 1.00 0.00 H new ATOM 1695 N HIS A 107 16.190 -29.359 0.259 1.00 0.00 N ATOM 1696 CA HIS A 107 17.047 -28.247 -0.176 1.00 0.00 C ATOM 1697 C HIS A 107 17.861 -27.668 0.993 1.00 0.00 C ATOM 1698 O HIS A 107 17.355 -27.552 2.112 1.00 0.00 O ATOM 1699 CB HIS A 107 16.207 -27.142 -0.824 1.00 0.00 C ATOM 1700 CG HIS A 107 17.022 -26.095 -1.517 1.00 0.00 C ATOM 1701 ND1 HIS A 107 17.662 -25.080 -0.838 1.00 0.00 N ATOM 1702 CD2 HIS A 107 17.300 -25.904 -2.829 1.00 0.00 C ATOM 1703 CE1 HIS A 107 18.301 -24.310 -1.701 1.00 0.00 C ATOM 1704 NE2 HIS A 107 18.096 -24.788 -2.915 1.00 0.00 N ATOM 0 H HIS A 107 15.190 -29.165 0.204 1.00 0.00 H new ATOM 0 HA HIS A 107 17.747 -28.644 -0.912 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.523 -27.592 -1.543 1.00 0.00 H new ATOM 0 HB3 HIS A 107 15.596 -26.666 -0.058 1.00 0.00 H new ATOM 0 HD1 HIS A 107 17.645 -24.945 0.173 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.960 -26.514 -3.652 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.890 -23.439 -1.456 1.00 0.00 H new ATOM 1709 N HIS A 108 19.118 -27.316 0.717 1.00 0.00 N ATOM 1710 CA HIS A 108 19.997 -26.676 1.709 1.00 0.00 C ATOM 1711 C HIS A 108 19.344 -25.469 2.409 1.00 0.00 C ATOM 1712 O HIS A 108 18.737 -24.610 1.769 1.00 0.00 O ATOM 1713 CB HIS A 108 21.306 -26.237 1.044 1.00 0.00 C ATOM 1714 CG HIS A 108 22.261 -25.568 1.983 1.00 0.00 C ATOM 1715 ND1 HIS A 108 22.948 -26.255 2.961 1.00 0.00 N ATOM 1716 CD2 HIS A 108 22.643 -24.273 2.092 1.00 0.00 C ATOM 1717 CE1 HIS A 108 23.712 -25.410 3.632 1.00 0.00 C ATOM 1718 NE2 HIS A 108 23.546 -24.203 3.125 1.00 0.00 N ATOM 0 H HIS A 108 19.557 -27.463 -0.192 1.00 0.00 H new ATOM 0 HA HIS A 108 20.193 -27.423 2.478 1.00 0.00 H new ATOM 0 HB2 HIS A 108 21.791 -27.109 0.606 1.00 0.00 H new ATOM 0 HB3 HIS A 108 21.077 -25.555 0.225 1.00 0.00 H new ATOM 0 HD2 HIS A 108 22.302 -23.450 1.481 1.00 0.00 H new ATOM 0 HE1 HIS A 108 24.362 -25.665 4.456 1.00 0.00 H new ATOM 0 HE2 HIS A 108 24.013 -23.355 3.448 1.00 0.00 H new ATOM 1723 N HIS A 109 19.475 -25.431 3.733 1.00 0.00 N ATOM 1724 CA HIS A 109 18.885 -24.376 4.563 1.00 0.00 C ATOM 1725 C HIS A 109 19.592 -24.330 5.929 1.00 0.00 C ATOM 1726 O HIS A 109 20.387 -25.216 6.254 1.00 0.00 O ATOM 1727 CB HIS A 109 17.381 -24.598 4.747 1.00 0.00 C ATOM 1728 CG HIS A 109 17.045 -25.842 5.510 1.00 0.00 C ATOM 1729 ND1 HIS A 109 17.041 -27.093 4.929 1.00 0.00 N ATOM 1730 CD2 HIS A 109 16.703 -26.028 6.807 1.00 0.00 C ATOM 1731 CE1 HIS A 109 16.710 -27.995 5.837 1.00 0.00 C ATOM 1732 NE2 HIS A 109 16.500 -27.375 6.982 1.00 0.00 N ATOM 0 H HIS A 109 19.993 -26.131 4.264 1.00 0.00 H new ATOM 0 HA HIS A 109 19.023 -23.420 4.057 1.00 0.00 H new ATOM 0 HB2 HIS A 109 16.957 -23.738 5.266 1.00 0.00 H new ATOM 0 HB3 HIS A 109 16.907 -24.645 3.767 1.00 0.00 H new ATOM 0 HD1 HIS A 109 17.259 -27.291 3.952 1.00 0.00 H new ATOM 0 HD2 HIS A 109 16.608 -25.261 7.562 1.00 0.00 H new ATOM 0 HE1 HIS A 109 16.626 -29.059 5.670 1.00 0.00 H new ATOM 0 HE2 HIS A 109 16.230 -27.824 7.857 1.00 0.00 H new ATOM 1737 N HIS A 110 19.315 -23.304 6.724 1.00 0.00 N ATOM 1738 CA HIS A 110 19.935 -23.177 8.046 1.00 0.00 C ATOM 1739 C HIS A 110 18.888 -22.911 9.128 1.00 0.00 C ATOM 1740 O HIS A 110 17.860 -22.286 8.873 1.00 0.00 O ATOM 1741 CB HIS A 110 20.983 -22.059 8.048 1.00 0.00 C ATOM 1742 CG HIS A 110 22.138 -22.315 7.131 1.00 0.00 C ATOM 1743 ND1 HIS A 110 23.204 -23.116 7.483 1.00 0.00 N ATOM 1744 CD2 HIS A 110 22.395 -21.876 5.876 1.00 0.00 C ATOM 1745 CE1 HIS A 110 24.068 -23.159 6.483 1.00 0.00 C ATOM 1746 NE2 HIS A 110 23.600 -22.416 5.497 1.00 0.00 N ATOM 0 H HIS A 110 18.671 -22.551 6.483 1.00 0.00 H new ATOM 0 HA HIS A 110 20.426 -24.124 8.270 1.00 0.00 H new ATOM 0 HB2 HIS A 110 20.503 -21.123 7.761 1.00 0.00 H new ATOM 0 HB3 HIS A 110 21.359 -21.927 9.063 1.00 0.00 H new ATOM 0 HD1 HIS A 110 23.309 -23.599 8.375 1.00 0.00 H new ATOM 0 HD2 HIS A 110 21.770 -21.224 5.284 1.00 0.00 H new ATOM 0 HE1 HIS A 110 24.998 -23.708 6.474 1.00 0.00 H new ATOM 1751 N HIS A 111 19.177 -23.373 10.340 1.00 0.00 N ATOM 1752 CA HIS A 111 18.271 -23.197 11.478 1.00 0.00 C ATOM 1753 C HIS A 111 18.870 -22.193 12.492 1.00 0.00 C ATOM 1754 O HIS A 111 18.638 -20.977 12.335 1.00 0.00 O ATOM 1755 CB HIS A 111 17.988 -24.540 12.160 1.00 0.00 C ATOM 1756 CG HIS A 111 17.276 -25.522 11.281 1.00 0.00 C ATOM 1757 ND1 HIS A 111 15.901 -25.580 11.194 1.00 0.00 N ATOM 1758 CD2 HIS A 111 17.748 -26.483 10.453 1.00 0.00 C ATOM 1759 CE1 HIS A 111 15.558 -26.536 10.348 1.00 0.00 C ATOM 1760 NE2 HIS A 111 16.660 -27.098 9.885 1.00 0.00 N ATOM 1761 OXT HIS A 111 19.603 -22.620 13.408 1.00 0.00 O ATOM 0 H HIS A 111 20.036 -23.876 10.564 1.00 0.00 H new ATOM 0 HA HIS A 111 17.328 -22.797 11.106 1.00 0.00 H new ATOM 0 HB2 HIS A 111 18.931 -24.977 12.489 1.00 0.00 H new ATOM 0 HB3 HIS A 111 17.389 -24.365 13.054 1.00 0.00 H new ATOM 0 HD1 HIS A 111 15.251 -24.980 11.702 1.00 0.00 H new ATOM 0 HD2 HIS A 111 18.786 -26.721 10.273 1.00 0.00 H new ATOM 0 HE1 HIS A 111 14.548 -26.811 10.081 1.00 0.00 H new TER 1766 HIS A 111