USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 852 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 55 ASN : amide:sc= -0.29 X(o=-2.1,f=-2.1) USER MOD Set 1.2: B 27 HIS :FLIP no HE2:sc= -1.82 F(o=-2.9!,f=-2.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.346 X(o=-0.35,f=-0.095) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS :FLIP no HD1:sc= -0.278 F(o=-0.82,f=-0.28) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc=-0.00631 X(o=-0.0063,f=-0.15) USER MOD Single : A 31 ASN : amide:sc= -0.155 K(o=-0.16,f=-0.94) USER MOD Single : A 32 GLN : amide:sc= -2.12! C(o=-2.1!,f=-4.3!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -3.28! C(o=-3.3!,f=-3.1!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -0.0511 USER MOD Single : A 51 SER OG : rot -88:sc= 0.0107 USER MOD Single : A 58 SER OG : rot 170:sc= -0.009 USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= 0.00281 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.152) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -68:sc= 0.985 USER MOD Single : A 73 ASN : amide:sc= -1.74 K(o=-1.7,f=-5.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 98:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -132:sc= 0.136 (180deg=0) USER MOD Single : A 87 SER OG : rot 53:sc= 0.349 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 103 SER OG : rot 180:sc= -0.284 USER MOD Single : A 105 THR OG1 : rot 178:sc= -1.04 USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : B 13 SER OG : rot -34:sc= 0.144 USER MOD Single : B 14 THR OG1 : rot 31:sc= 1.17 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.121 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 17 -20.837 20.061 36.837 1.00 0.00 N ATOM 2 CA SER A 17 -20.988 21.346 37.567 1.00 0.00 C ATOM 3 C SER A 17 -19.840 22.299 37.249 1.00 0.00 C ATOM 4 O SER A 17 -19.548 23.214 38.020 1.00 0.00 O ATOM 5 CB SER A 17 -21.031 21.052 39.068 1.00 0.00 C ATOM 6 OG SER A 17 -22.164 21.651 39.673 1.00 0.00 O ATOM 0 HA SER A 17 -21.913 21.830 37.252 1.00 0.00 H new ATOM 0 HB2 SER A 17 -21.055 19.974 39.230 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.123 21.425 39.541 1.00 0.00 H new ATOM 0 HG SER A 17 -22.169 21.447 40.631 1.00 0.00 H new ATOM 11 N LYS A 18 -19.192 22.077 36.111 1.00 0.00 N ATOM 12 CA LYS A 18 -18.074 22.916 35.690 1.00 0.00 C ATOM 13 C LYS A 18 -18.448 23.749 34.466 1.00 0.00 C ATOM 14 O LYS A 18 -19.146 23.271 33.571 1.00 0.00 O ATOM 15 CB LYS A 18 -16.850 22.053 35.380 1.00 0.00 C ATOM 16 CG LYS A 18 -16.165 21.502 36.620 1.00 0.00 C ATOM 17 CD LYS A 18 -14.657 21.443 36.444 1.00 0.00 C ATOM 18 CE LYS A 18 -14.199 20.058 36.014 1.00 0.00 C ATOM 19 NZ LYS A 18 -12.724 19.898 36.136 1.00 0.00 N ATOM 0 H LYS A 18 -19.421 21.323 35.463 1.00 0.00 H new ATOM 0 HA LYS A 18 -17.833 23.595 36.508 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -17.153 21.222 34.743 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -16.133 22.645 34.812 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.408 22.127 37.479 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.547 20.504 36.834 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.348 22.177 35.700 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -14.170 21.714 37.381 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.697 19.305 36.624 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.499 19.881 34.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.452 18.941 35.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.248 20.600 35.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.440 20.042 37.126 1.00 0.00 H new ATOM 33 N PRO A 19 -17.988 25.012 34.410 1.00 0.00 N ATOM 34 CA PRO A 19 -18.279 25.912 33.288 1.00 0.00 C ATOM 35 C PRO A 19 -17.831 25.334 31.950 1.00 0.00 C ATOM 36 O PRO A 19 -16.932 24.493 31.894 1.00 0.00 O ATOM 37 CB PRO A 19 -17.475 27.175 33.618 1.00 0.00 C ATOM 38 CG PRO A 19 -17.259 27.119 35.091 1.00 0.00 C ATOM 39 CD PRO A 19 -17.150 25.661 35.435 1.00 0.00 C ATOM 0 HA PRO A 19 -19.349 26.089 33.180 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -16.527 27.191 33.080 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -18.019 28.075 33.333 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -16.354 27.656 35.374 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -18.086 27.586 35.625 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.118 25.313 35.392 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -17.514 25.456 36.442 1.00 0.00 H new ATOM 47 N GLY A 20 -18.463 25.790 30.874 1.00 0.00 N ATOM 48 CA GLY A 20 -18.117 25.310 29.548 1.00 0.00 C ATOM 49 C GLY A 20 -18.109 26.420 28.515 1.00 0.00 C ATOM 50 O GLY A 20 -17.668 27.534 28.798 1.00 0.00 O ATOM 0 H GLY A 20 -19.210 26.484 30.896 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -17.134 24.840 29.580 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -18.828 24.541 29.246 1.00 0.00 H new ATOM 54 N CYS A 21 -18.602 26.117 27.318 1.00 0.00 N ATOM 55 CA CYS A 21 -18.654 27.099 26.240 1.00 0.00 C ATOM 56 C CYS A 21 -20.017 27.074 25.559 1.00 0.00 C ATOM 57 O CYS A 21 -20.796 26.139 25.741 1.00 0.00 O ATOM 58 CB CYS A 21 -17.555 26.825 25.212 1.00 0.00 C ATOM 59 SG CYS A 21 -16.038 26.102 25.914 1.00 0.00 S ATOM 0 H CYS A 21 -18.971 25.199 27.070 1.00 0.00 H new ATOM 0 HA CYS A 21 -18.494 28.087 26.672 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.946 26.151 24.450 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.301 27.759 24.711 1.00 0.00 H new ATOM 64 N TYR A 22 -20.303 28.111 24.785 1.00 0.00 N ATOM 65 CA TYR A 22 -21.576 28.215 24.087 1.00 0.00 C ATOM 66 C TYR A 22 -21.369 28.568 22.613 1.00 0.00 C ATOM 67 O TYR A 22 -20.782 29.598 22.280 1.00 0.00 O ATOM 68 CB TYR A 22 -22.468 29.239 24.797 1.00 0.00 C ATOM 69 CG TYR A 22 -22.996 30.326 23.903 1.00 0.00 C ATOM 70 CD1 TYR A 22 -24.174 30.153 23.203 1.00 0.00 C ATOM 71 CD2 TYR A 22 -22.308 31.519 23.752 1.00 0.00 C ATOM 72 CE1 TYR A 22 -24.655 31.140 22.376 1.00 0.00 C ATOM 73 CE2 TYR A 22 -22.774 32.505 22.934 1.00 0.00 C ATOM 74 CZ TYR A 22 -23.952 32.321 22.240 1.00 0.00 C ATOM 75 OH TYR A 22 -24.427 33.313 21.414 1.00 0.00 O ATOM 0 H TYR A 22 -19.669 28.894 24.624 1.00 0.00 H new ATOM 0 HA TYR A 22 -22.076 27.247 24.111 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -23.310 28.717 25.251 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -21.902 29.696 25.609 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -24.725 29.230 23.307 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -21.385 31.671 24.292 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -25.578 30.993 21.835 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -22.222 33.428 22.830 1.00 0.00 H new ATOM 0 HH TYR A 22 -23.813 34.077 21.434 1.00 0.00 H new ATOM 85 N ASP A 23 -21.853 27.694 21.736 1.00 0.00 N ATOM 86 CA ASP A 23 -21.735 27.893 20.296 1.00 0.00 C ATOM 87 C ASP A 23 -22.880 28.763 19.781 1.00 0.00 C ATOM 88 O ASP A 23 -23.849 29.007 20.496 1.00 0.00 O ATOM 89 CB ASP A 23 -21.714 26.539 19.577 1.00 0.00 C ATOM 90 CG ASP A 23 -22.616 26.498 18.358 1.00 0.00 C ATOM 91 OD1 ASP A 23 -23.814 26.183 18.516 1.00 0.00 O ATOM 92 OD2 ASP A 23 -22.124 26.780 17.245 1.00 0.00 O ATOM 0 H ASP A 23 -22.334 26.835 22.001 1.00 0.00 H new ATOM 0 HA ASP A 23 -20.798 28.409 20.088 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -20.692 26.312 19.273 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -22.020 25.759 20.274 1.00 0.00 H new ATOM 97 N ASN A 24 -22.750 29.236 18.547 1.00 0.00 N ATOM 98 CA ASN A 24 -23.760 30.095 17.931 1.00 0.00 C ATOM 99 C ASN A 24 -25.183 29.561 18.122 1.00 0.00 C ATOM 100 O ASN A 24 -25.687 28.796 17.299 1.00 0.00 O ATOM 101 CB ASN A 24 -23.467 30.257 16.438 1.00 0.00 C ATOM 102 CG ASN A 24 -23.628 31.691 15.969 1.00 0.00 C ATOM 103 OD1 ASN A 24 -24.284 31.956 14.962 1.00 0.00 O ATOM 104 ND2 ASN A 24 -23.027 32.622 16.699 1.00 0.00 N ATOM 0 H ASN A 24 -21.949 29.038 17.947 1.00 0.00 H new ATOM 0 HA ASN A 24 -23.706 31.062 18.431 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -22.450 29.922 16.232 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -24.137 29.614 15.867 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -23.099 33.604 16.433 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -22.493 32.356 17.526 1.00 0.00 H new ATOM 111 N GLY A 25 -25.832 30.002 19.198 1.00 0.00 N ATOM 112 CA GLY A 25 -27.203 29.595 19.468 1.00 0.00 C ATOM 113 C GLY A 25 -27.330 28.313 20.274 1.00 0.00 C ATOM 114 O GLY A 25 -28.407 28.015 20.794 1.00 0.00 O ATOM 0 H GLY A 25 -25.432 30.636 19.890 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.709 30.398 20.004 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.725 29.467 18.520 1.00 0.00 H new ATOM 118 N LYS A 26 -26.251 27.547 20.381 1.00 0.00 N ATOM 119 CA LYS A 26 -26.287 26.293 21.130 1.00 0.00 C ATOM 120 C LYS A 26 -25.191 26.244 22.188 1.00 0.00 C ATOM 121 O LYS A 26 -24.206 26.970 22.103 1.00 0.00 O ATOM 122 CB LYS A 26 -26.146 25.103 20.179 1.00 0.00 C ATOM 123 CG LYS A 26 -27.399 24.248 20.084 1.00 0.00 C ATOM 124 CD LYS A 26 -27.897 24.146 18.652 1.00 0.00 C ATOM 125 CE LYS A 26 -28.673 22.859 18.421 1.00 0.00 C ATOM 126 NZ LYS A 26 -28.068 22.032 17.340 1.00 0.00 N ATOM 0 H LYS A 26 -25.347 27.768 19.963 1.00 0.00 H new ATOM 0 HA LYS A 26 -27.250 26.237 21.637 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -25.891 25.471 19.185 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -25.315 24.480 20.511 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -27.190 23.250 20.469 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -28.181 24.675 20.712 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -28.534 25.001 18.426 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -27.050 24.189 17.967 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -28.703 22.282 19.345 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -29.704 23.098 18.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -28.626 21.164 17.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -28.062 22.572 16.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -27.092 21.782 17.599 1.00 0.00 H new ATOM 140 N HIS A 27 -25.372 25.384 23.187 1.00 0.00 N ATOM 141 CA HIS A 27 -24.396 25.240 24.263 1.00 0.00 C ATOM 142 C HIS A 27 -23.573 23.968 24.078 1.00 0.00 C ATOM 143 O HIS A 27 -24.116 22.863 24.074 1.00 0.00 O ATOM 144 CB HIS A 27 -25.100 25.213 25.620 1.00 0.00 C ATOM 145 CG HIS A 27 -24.603 26.256 26.573 1.00 0.00 C ATOM 146 ND1 HIS A 27 -25.011 27.530 26.784 1.00 0.00 N flip ATOM 147 CD2 HIS A 27 -23.562 26.039 27.450 1.00 0.00 C flip ATOM 148 CE1 HIS A 27 -24.216 28.053 27.774 1.00 0.00 C flip ATOM 149 NE2 HIS A 27 -23.351 27.133 28.160 1.00 0.00 N flip ATOM 0 H HIS A 27 -26.186 24.776 23.274 1.00 0.00 H new ATOM 0 HA HIS A 27 -23.724 26.097 24.230 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -26.170 25.352 25.468 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -24.967 24.229 26.070 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -23.005 25.118 27.542 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -24.287 29.054 28.172 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.641 27.247 28.883 1.00 0.00 H new ATOM 158 N TYR A 28 -22.262 24.131 23.917 1.00 0.00 N ATOM 159 CA TYR A 28 -21.366 22.994 23.723 1.00 0.00 C ATOM 160 C TYR A 28 -20.488 22.769 24.952 1.00 0.00 C ATOM 161 O TYR A 28 -20.385 23.634 25.821 1.00 0.00 O ATOM 162 CB TYR A 28 -20.498 23.208 22.478 1.00 0.00 C ATOM 163 CG TYR A 28 -21.265 23.151 21.169 1.00 0.00 C ATOM 164 CD1 TYR A 28 -22.644 22.956 21.147 1.00 0.00 C ATOM 165 CD2 TYR A 28 -20.610 23.296 19.953 1.00 0.00 C ATOM 166 CE1 TYR A 28 -23.341 22.907 19.955 1.00 0.00 C ATOM 167 CE2 TYR A 28 -21.302 23.249 18.758 1.00 0.00 C ATOM 168 CZ TYR A 28 -22.665 23.054 18.764 1.00 0.00 C ATOM 169 OH TYR A 28 -23.356 23.005 17.575 1.00 0.00 O ATOM 0 H TYR A 28 -21.797 25.039 23.917 1.00 0.00 H new ATOM 0 HA TYR A 28 -21.976 22.103 23.578 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -20.004 24.177 22.555 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -19.714 22.451 22.460 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -23.178 22.841 22.079 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -19.541 23.448 19.941 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -24.410 22.754 19.957 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -20.775 23.365 17.822 1.00 0.00 H new ATOM 0 HH TYR A 28 -22.732 23.127 16.829 1.00 0.00 H new ATOM 179 N GLN A 29 -19.865 21.596 25.022 1.00 0.00 N ATOM 180 CA GLN A 29 -19.007 21.249 26.148 1.00 0.00 C ATOM 181 C GLN A 29 -17.643 21.914 26.043 1.00 0.00 C ATOM 182 O GLN A 29 -17.328 22.563 25.048 1.00 0.00 O ATOM 183 CB GLN A 29 -18.841 19.732 26.231 1.00 0.00 C ATOM 184 CG GLN A 29 -20.078 19.011 26.740 1.00 0.00 C ATOM 185 CD GLN A 29 -19.864 18.371 28.097 1.00 0.00 C ATOM 186 OE1 GLN A 29 -19.245 18.960 28.983 1.00 0.00 O ATOM 187 NE2 GLN A 29 -20.377 17.158 28.267 1.00 0.00 N ATOM 0 H GLN A 29 -19.939 20.869 24.310 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.487 21.615 27.056 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -18.588 19.348 25.243 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -18.001 19.502 26.887 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -20.906 19.718 26.802 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -20.368 18.243 26.022 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -20.883 16.707 27.505 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -20.265 16.677 29.160 1.00 0.00 H new ATOM 196 N ILE A 30 -16.836 21.743 27.087 1.00 0.00 N ATOM 197 CA ILE A 30 -15.499 22.318 27.121 1.00 0.00 C ATOM 198 C ILE A 30 -14.590 21.605 26.133 1.00 0.00 C ATOM 199 O ILE A 30 -14.630 20.380 26.012 1.00 0.00 O ATOM 200 CB ILE A 30 -14.877 22.231 28.529 1.00 0.00 C ATOM 201 CG1 ILE A 30 -15.905 22.623 29.591 1.00 0.00 C ATOM 202 CG2 ILE A 30 -13.648 23.124 28.619 1.00 0.00 C ATOM 203 CD1 ILE A 30 -16.271 21.490 30.526 1.00 0.00 C ATOM 0 H ILE A 30 -17.087 21.210 27.920 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.594 23.369 26.847 1.00 0.00 H new ATOM 0 HB ILE A 30 -14.570 21.201 28.712 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.512 23.454 30.177 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.808 22.981 29.096 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -13.219 23.053 29.618 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.910 22.803 27.884 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.933 24.157 28.419 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -17.004 21.840 31.253 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -16.695 20.666 29.951 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -15.378 21.146 31.048 1.00 0.00 H new ATOM 215 N ASN A 31 -13.779 22.377 25.421 1.00 0.00 N ATOM 216 CA ASN A 31 -12.866 21.820 24.433 1.00 0.00 C ATOM 217 C ASN A 31 -13.637 21.083 23.341 1.00 0.00 C ATOM 218 O ASN A 31 -13.046 20.368 22.531 1.00 0.00 O ATOM 219 CB ASN A 31 -11.865 20.873 25.100 1.00 0.00 C ATOM 220 CG ASN A 31 -10.478 21.477 25.203 1.00 0.00 C ATOM 221 OD1 ASN A 31 -10.030 22.189 24.304 1.00 0.00 O ATOM 222 ND2 ASN A 31 -9.790 21.194 26.303 1.00 0.00 N ATOM 0 H ASN A 31 -13.735 23.392 25.510 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.318 22.644 23.976 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.221 20.616 26.098 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -11.813 19.945 24.531 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.851 21.571 26.428 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.201 20.599 27.023 1.00 0.00 H new ATOM 229 N GLN A 32 -14.956 21.275 23.310 1.00 0.00 N ATOM 230 CA GLN A 32 -15.785 20.640 22.297 1.00 0.00 C ATOM 231 C GLN A 32 -15.560 21.298 20.945 1.00 0.00 C ATOM 232 O GLN A 32 -15.581 22.523 20.832 1.00 0.00 O ATOM 233 CB GLN A 32 -17.260 20.725 22.679 1.00 0.00 C ATOM 234 CG GLN A 32 -17.951 19.377 22.682 1.00 0.00 C ATOM 235 CD GLN A 32 -19.459 19.489 22.591 1.00 0.00 C ATOM 236 OE1 GLN A 32 -20.185 18.986 23.449 1.00 0.00 O ATOM 237 NE2 GLN A 32 -19.942 20.153 21.546 1.00 0.00 N ATOM 0 H GLN A 32 -15.466 21.861 23.971 1.00 0.00 H new ATOM 0 HA GLN A 32 -15.502 19.589 22.232 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -17.348 21.174 23.668 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -17.772 21.388 21.982 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -17.584 18.784 21.844 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -17.686 18.840 23.593 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -19.305 20.554 20.858 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -20.950 20.261 21.432 1.00 0.00 H new ATOM 246 N GLN A 33 -15.336 20.484 19.921 1.00 0.00 N ATOM 247 CA GLN A 33 -15.099 21.001 18.581 1.00 0.00 C ATOM 248 C GLN A 33 -16.308 20.774 17.681 1.00 0.00 C ATOM 249 O GLN A 33 -17.096 19.855 17.904 1.00 0.00 O ATOM 250 CB GLN A 33 -13.862 20.344 17.966 1.00 0.00 C ATOM 251 CG GLN A 33 -12.751 20.077 18.970 1.00 0.00 C ATOM 252 CD GLN A 33 -11.654 19.196 18.404 1.00 0.00 C ATOM 253 OE1 GLN A 33 -10.783 19.662 17.670 1.00 0.00 O ATOM 254 NE2 GLN A 33 -11.693 17.912 18.744 1.00 0.00 N ATOM 0 H GLN A 33 -15.314 19.467 19.993 1.00 0.00 H new ATOM 0 HA GLN A 33 -14.930 22.075 18.664 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -14.154 19.402 17.501 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -13.477 20.985 17.173 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.321 21.026 19.291 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.173 19.602 19.856 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.434 17.569 19.355 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.982 17.270 18.394 1.00 0.00 H new ATOM 263 N TRP A 34 -16.440 21.612 16.658 1.00 0.00 N ATOM 264 CA TRP A 34 -17.544 21.497 15.714 1.00 0.00 C ATOM 265 C TRP A 34 -17.213 22.204 14.405 1.00 0.00 C ATOM 266 O TRP A 34 -16.524 23.224 14.393 1.00 0.00 O ATOM 267 CB TRP A 34 -18.836 22.064 16.311 1.00 0.00 C ATOM 268 CG TRP A 34 -18.820 23.543 16.527 1.00 0.00 C ATOM 269 CD1 TRP A 34 -19.503 24.466 15.803 1.00 0.00 C ATOM 270 CD2 TRP A 34 -18.112 24.268 17.542 1.00 0.00 C ATOM 271 NE1 TRP A 34 -19.264 25.726 16.292 1.00 0.00 N ATOM 272 CE2 TRP A 34 -18.412 25.632 17.361 1.00 0.00 C ATOM 273 CE3 TRP A 34 -17.255 23.902 18.583 1.00 0.00 C ATOM 274 CZ2 TRP A 34 -17.887 26.627 18.180 1.00 0.00 C ATOM 275 CZ3 TRP A 34 -16.734 24.891 19.396 1.00 0.00 C ATOM 276 CH2 TRP A 34 -17.051 26.239 19.190 1.00 0.00 C ATOM 0 H TRP A 34 -15.796 22.378 16.462 1.00 0.00 H new ATOM 0 HA TRP A 34 -17.697 20.438 15.507 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -19.667 21.815 15.651 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -19.028 21.572 17.265 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -20.143 24.241 14.963 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -19.656 26.591 15.920 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -17.004 22.865 18.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -18.131 27.667 18.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.071 24.619 20.204 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -16.626 26.988 19.842 1.00 0.00 H new ATOM 287 N GLU A 35 -17.701 21.645 13.301 1.00 0.00 N ATOM 288 CA GLU A 35 -17.449 22.211 11.982 1.00 0.00 C ATOM 289 C GLU A 35 -18.494 23.260 11.614 1.00 0.00 C ATOM 290 O GLU A 35 -19.681 22.957 11.498 1.00 0.00 O ATOM 291 CB GLU A 35 -17.433 21.104 10.926 1.00 0.00 C ATOM 292 CG GLU A 35 -16.246 20.163 11.048 1.00 0.00 C ATOM 293 CD GLU A 35 -16.456 18.858 10.306 1.00 0.00 C ATOM 294 OE1 GLU A 35 -16.927 18.902 9.150 1.00 0.00 O ATOM 295 OE2 GLU A 35 -16.151 17.792 10.881 1.00 0.00 O ATOM 0 H GLU A 35 -18.273 20.801 13.295 1.00 0.00 H new ATOM 0 HA GLU A 35 -16.475 22.699 12.012 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -18.354 20.526 11.004 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -17.425 21.559 9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.355 20.657 10.661 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -16.062 19.952 12.101 1.00 0.00 H new ATOM 302 N ARG A 36 -18.035 24.491 11.418 1.00 0.00 N ATOM 303 CA ARG A 36 -18.916 25.592 11.046 1.00 0.00 C ATOM 304 C ARG A 36 -18.311 26.375 9.886 1.00 0.00 C ATOM 305 O ARG A 36 -17.101 26.591 9.838 1.00 0.00 O ATOM 306 CB ARG A 36 -19.161 26.516 12.241 1.00 0.00 C ATOM 307 CG ARG A 36 -17.888 27.073 12.856 1.00 0.00 C ATOM 308 CD ARG A 36 -18.060 28.522 13.281 1.00 0.00 C ATOM 309 NE ARG A 36 -18.803 29.300 12.292 1.00 0.00 N ATOM 310 CZ ARG A 36 -19.340 30.490 12.541 1.00 0.00 C ATOM 311 NH1 ARG A 36 -19.215 31.040 13.742 1.00 0.00 N ATOM 312 NH2 ARG A 36 -20.000 31.133 11.588 1.00 0.00 N ATOM 0 H ARG A 36 -17.053 24.752 11.511 1.00 0.00 H new ATOM 0 HA ARG A 36 -19.875 25.179 10.732 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.793 27.345 11.924 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -19.713 25.968 13.005 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -17.607 26.471 13.720 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -17.073 26.999 12.136 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -18.582 28.559 14.237 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -17.080 28.973 13.435 1.00 0.00 H new ATOM 0 HE ARG A 36 -18.916 28.907 11.357 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.706 30.549 14.477 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.628 31.953 13.930 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -20.096 30.715 10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -20.412 32.046 11.780 1.00 0.00 H new ATOM 326 N THR A 37 -19.153 26.785 8.943 1.00 0.00 N ATOM 327 CA THR A 37 -18.690 27.524 7.778 1.00 0.00 C ATOM 328 C THR A 37 -18.787 29.032 7.985 1.00 0.00 C ATOM 329 O THR A 37 -19.731 29.530 8.598 1.00 0.00 O ATOM 330 CB THR A 37 -19.487 27.140 6.518 1.00 0.00 C ATOM 331 OG1 THR A 37 -19.650 25.717 6.455 1.00 0.00 O ATOM 332 CG2 THR A 37 -18.782 27.629 5.261 1.00 0.00 C ATOM 0 H THR A 37 -20.159 26.617 8.964 1.00 0.00 H new ATOM 0 HA THR A 37 -17.643 27.255 7.641 1.00 0.00 H new ATOM 0 HB THR A 37 -20.466 27.616 6.576 1.00 0.00 H new ATOM 0 HG1 THR A 37 -20.159 25.481 5.652 1.00 0.00 H new ATOM 0 HG21 THR A 37 -19.364 27.346 4.384 1.00 0.00 H new ATOM 0 HG22 THR A 37 -18.685 28.714 5.297 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.792 27.178 5.200 1.00 0.00 H new ATOM 340 N TYR A 38 -17.801 29.749 7.453 1.00 0.00 N ATOM 341 CA TYR A 38 -17.759 31.202 7.557 1.00 0.00 C ATOM 342 C TYR A 38 -17.475 31.821 6.192 1.00 0.00 C ATOM 343 O TYR A 38 -16.379 31.666 5.650 1.00 0.00 O ATOM 344 CB TYR A 38 -16.692 31.633 8.569 1.00 0.00 C ATOM 345 CG TYR A 38 -16.160 33.032 8.342 1.00 0.00 C ATOM 346 CD1 TYR A 38 -16.994 34.139 8.439 1.00 0.00 C ATOM 347 CD2 TYR A 38 -14.823 33.244 8.029 1.00 0.00 C ATOM 348 CE1 TYR A 38 -16.511 35.417 8.232 1.00 0.00 C ATOM 349 CE2 TYR A 38 -14.333 34.517 7.822 1.00 0.00 C ATOM 350 CZ TYR A 38 -15.179 35.601 7.924 1.00 0.00 C ATOM 351 OH TYR A 38 -14.694 36.871 7.716 1.00 0.00 O ATOM 0 H TYR A 38 -17.017 29.343 6.943 1.00 0.00 H new ATOM 0 HA TYR A 38 -18.730 31.555 7.905 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -17.112 31.573 9.573 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -15.862 30.928 8.529 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -18.037 33.998 8.680 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -14.156 32.398 7.946 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -17.173 36.267 8.311 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -13.291 34.664 7.581 1.00 0.00 H new ATOM 0 HH TYR A 38 -13.737 36.826 7.510 1.00 0.00 H new ATOM 361 N LEU A 39 -18.473 32.519 5.650 1.00 0.00 N ATOM 362 CA LEU A 39 -18.359 33.172 4.345 1.00 0.00 C ATOM 363 C LEU A 39 -18.399 32.153 3.207 1.00 0.00 C ATOM 364 O LEU A 39 -19.071 32.365 2.198 1.00 0.00 O ATOM 365 CB LEU A 39 -17.074 34.004 4.259 1.00 0.00 C ATOM 366 CG LEU A 39 -17.170 35.418 4.836 1.00 0.00 C ATOM 367 CD1 LEU A 39 -15.869 36.173 4.611 1.00 0.00 C ATOM 368 CD2 LEU A 39 -18.338 36.176 4.222 1.00 0.00 C ATOM 0 H LEU A 39 -19.379 32.648 6.100 1.00 0.00 H new ATOM 0 HA LEU A 39 -19.216 33.838 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -16.280 33.470 4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.777 34.076 3.213 1.00 0.00 H new ATOM 0 HG LEU A 39 -17.344 35.337 5.909 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -15.954 37.177 5.027 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -15.052 35.645 5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -15.667 36.240 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -18.386 37.178 4.648 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -18.199 36.246 3.143 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -19.267 35.647 4.435 1.00 0.00 H new ATOM 380 N GLY A 40 -17.678 31.050 3.377 1.00 0.00 N ATOM 381 CA GLY A 40 -17.644 30.019 2.358 1.00 0.00 C ATOM 382 C GLY A 40 -16.637 28.926 2.667 1.00 0.00 C ATOM 383 O GLY A 40 -16.473 27.988 1.886 1.00 0.00 O ATOM 0 H GLY A 40 -17.116 30.852 4.205 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -18.636 29.577 2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.400 30.471 1.397 1.00 0.00 H new ATOM 387 N ASN A 41 -15.961 29.047 3.806 1.00 0.00 N ATOM 388 CA ASN A 41 -14.967 28.064 4.211 1.00 0.00 C ATOM 389 C ASN A 41 -15.351 27.407 5.531 1.00 0.00 C ATOM 390 O ASN A 41 -15.612 28.088 6.522 1.00 0.00 O ATOM 391 CB ASN A 41 -13.590 28.714 4.347 1.00 0.00 C ATOM 392 CG ASN A 41 -12.720 28.490 3.127 1.00 0.00 C ATOM 393 OD1 ASN A 41 -11.822 27.646 3.136 1.00 0.00 O ATOM 394 ND2 ASN A 41 -12.981 29.246 2.067 1.00 0.00 N ATOM 0 H ASN A 41 -16.085 29.817 4.463 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.928 27.298 3.436 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.712 29.785 4.511 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -13.087 28.312 5.227 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.428 29.140 1.216 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.734 29.933 2.103 1.00 0.00 H new ATOM 401 N ALA A 42 -15.372 26.079 5.541 1.00 0.00 N ATOM 402 CA ALA A 42 -15.712 25.335 6.741 1.00 0.00 C ATOM 403 C ALA A 42 -14.497 25.196 7.648 1.00 0.00 C ATOM 404 O ALA A 42 -13.531 24.513 7.308 1.00 0.00 O ATOM 405 CB ALA A 42 -16.270 23.967 6.381 1.00 0.00 C ATOM 0 H ALA A 42 -15.157 25.499 4.730 1.00 0.00 H new ATOM 0 HA ALA A 42 -16.481 25.888 7.281 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.519 23.424 7.293 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -17.167 24.088 5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.524 23.407 5.817 1.00 0.00 H new ATOM 411 N LEU A 43 -14.548 25.857 8.798 1.00 0.00 N ATOM 412 CA LEU A 43 -13.448 25.818 9.754 1.00 0.00 C ATOM 413 C LEU A 43 -13.837 25.041 11.008 1.00 0.00 C ATOM 414 O LEU A 43 -14.984 25.099 11.452 1.00 0.00 O ATOM 415 CB LEU A 43 -13.030 27.240 10.142 1.00 0.00 C ATOM 416 CG LEU A 43 -13.477 28.333 9.173 1.00 0.00 C ATOM 417 CD1 LEU A 43 -14.926 28.707 9.433 1.00 0.00 C ATOM 418 CD2 LEU A 43 -12.583 29.553 9.287 1.00 0.00 C ATOM 0 H LEU A 43 -15.341 26.428 9.092 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.610 25.311 9.277 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.433 27.464 11.130 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.944 27.273 10.226 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.394 27.947 8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -15.231 29.487 8.735 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -15.558 27.830 9.296 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -15.030 29.073 10.454 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.920 30.318 8.588 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.629 29.944 10.303 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.556 29.274 9.052 1.00 0.00 H new ATOM 430 N VAL A 44 -12.875 24.328 11.585 1.00 0.00 N ATOM 431 CA VAL A 44 -13.121 23.559 12.798 1.00 0.00 C ATOM 432 C VAL A 44 -12.928 24.443 14.024 1.00 0.00 C ATOM 433 O VAL A 44 -11.801 24.764 14.402 1.00 0.00 O ATOM 434 CB VAL A 44 -12.184 22.335 12.897 1.00 0.00 C ATOM 435 CG1 VAL A 44 -12.224 21.730 14.292 1.00 0.00 C ATOM 436 CG2 VAL A 44 -12.557 21.295 11.854 1.00 0.00 C ATOM 0 H VAL A 44 -11.920 24.267 11.232 1.00 0.00 H new ATOM 0 HA VAL A 44 -14.149 23.199 12.757 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.165 22.671 12.704 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.556 20.870 14.335 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.904 22.475 15.021 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -13.241 21.411 14.521 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.887 20.439 11.938 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.584 20.969 12.017 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.468 21.730 10.858 1.00 0.00 H new ATOM 446 N CYS A 45 -14.037 24.848 14.632 1.00 0.00 N ATOM 447 CA CYS A 45 -13.996 25.710 15.805 1.00 0.00 C ATOM 448 C CYS A 45 -13.679 24.918 17.069 1.00 0.00 C ATOM 449 O CYS A 45 -14.124 23.780 17.230 1.00 0.00 O ATOM 450 CB CYS A 45 -15.330 26.437 15.972 1.00 0.00 C ATOM 451 SG CYS A 45 -15.297 28.186 15.467 1.00 0.00 S ATOM 0 H CYS A 45 -14.977 24.592 14.330 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.201 26.440 15.653 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -16.090 25.917 15.389 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -15.634 26.378 17.017 1.00 0.00 H new ATOM 456 N THR A 46 -12.914 25.536 17.963 1.00 0.00 N ATOM 457 CA THR A 46 -12.537 24.904 19.223 1.00 0.00 C ATOM 458 C THR A 46 -12.842 25.821 20.404 1.00 0.00 C ATOM 459 O THR A 46 -12.250 26.892 20.539 1.00 0.00 O ATOM 460 CB THR A 46 -11.041 24.541 19.251 1.00 0.00 C ATOM 461 OG1 THR A 46 -10.447 24.805 17.974 1.00 0.00 O ATOM 462 CG2 THR A 46 -10.846 23.076 19.613 1.00 0.00 C ATOM 0 H THR A 46 -12.542 26.477 17.838 1.00 0.00 H new ATOM 0 HA THR A 46 -13.125 23.990 19.305 1.00 0.00 H new ATOM 0 HB THR A 46 -10.556 25.155 20.010 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.495 24.573 18.002 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.781 22.843 19.626 1.00 0.00 H new ATOM 0 HG22 THR A 46 -11.272 22.885 20.598 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.345 22.449 18.874 1.00 0.00 H new ATOM 470 N CYS A 47 -13.770 25.395 21.255 1.00 0.00 N ATOM 471 CA CYS A 47 -14.154 26.182 22.423 1.00 0.00 C ATOM 472 C CYS A 47 -13.104 26.073 23.524 1.00 0.00 C ATOM 473 O CYS A 47 -12.309 25.133 23.545 1.00 0.00 O ATOM 474 CB CYS A 47 -15.516 25.721 22.947 1.00 0.00 C ATOM 475 SG CYS A 47 -15.438 24.773 24.502 1.00 0.00 S ATOM 0 H CYS A 47 -14.270 24.511 21.159 1.00 0.00 H new ATOM 0 HA CYS A 47 -14.224 27.227 22.120 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -16.149 26.595 23.099 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -15.997 25.108 22.185 1.00 0.00 H new ATOM 480 N TYR A 48 -13.105 27.042 24.436 1.00 0.00 N ATOM 481 CA TYR A 48 -12.149 27.056 25.538 1.00 0.00 C ATOM 482 C TYR A 48 -12.859 27.125 26.885 1.00 0.00 C ATOM 483 O TYR A 48 -12.562 26.350 27.794 1.00 0.00 O ATOM 484 CB TYR A 48 -11.185 28.235 25.388 1.00 0.00 C ATOM 485 CG TYR A 48 -10.418 28.229 24.084 1.00 0.00 C ATOM 486 CD1 TYR A 48 -9.928 27.044 23.547 1.00 0.00 C ATOM 487 CD2 TYR A 48 -10.187 29.409 23.386 1.00 0.00 C ATOM 488 CE1 TYR A 48 -9.229 27.035 22.355 1.00 0.00 C ATOM 489 CE2 TYR A 48 -9.490 29.408 22.193 1.00 0.00 C ATOM 490 CZ TYR A 48 -9.013 28.219 21.681 1.00 0.00 C ATOM 491 OH TYR A 48 -8.319 28.215 20.494 1.00 0.00 O ATOM 0 H TYR A 48 -13.757 27.827 24.433 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.582 26.126 25.503 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.748 29.165 25.464 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.477 28.222 26.216 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.097 26.114 24.070 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.559 30.342 23.783 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.854 26.106 21.953 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -9.319 30.334 21.664 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.461 27.361 20.035 1.00 0.00 H new ATOM 501 N GLY A 49 -13.795 28.058 27.008 1.00 0.00 N ATOM 502 CA GLY A 49 -14.531 28.209 28.249 1.00 0.00 C ATOM 503 C GLY A 49 -15.505 29.371 28.216 1.00 0.00 C ATOM 504 O GLY A 49 -15.961 29.835 29.261 1.00 0.00 O ATOM 0 H GLY A 49 -14.058 28.713 26.271 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.077 27.289 28.457 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.827 28.354 29.068 1.00 0.00 H new ATOM 508 N GLY A 50 -15.826 29.838 27.014 1.00 0.00 N ATOM 509 CA GLY A 50 -16.753 30.945 26.871 1.00 0.00 C ATOM 510 C GLY A 50 -16.099 32.291 27.111 1.00 0.00 C ATOM 511 O GLY A 50 -16.163 33.180 26.262 1.00 0.00 O ATOM 0 H GLY A 50 -15.460 29.469 26.136 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -17.181 30.927 25.869 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -17.577 30.816 27.572 1.00 0.00 H new ATOM 515 N SER A 51 -15.471 32.444 28.273 1.00 0.00 N ATOM 516 CA SER A 51 -14.805 33.692 28.625 1.00 0.00 C ATOM 517 C SER A 51 -13.667 33.996 27.655 1.00 0.00 C ATOM 518 O SER A 51 -13.265 35.148 27.498 1.00 0.00 O ATOM 519 CB SER A 51 -14.265 33.621 30.055 1.00 0.00 C ATOM 520 OG SER A 51 -14.887 34.585 30.884 1.00 0.00 O ATOM 0 H SER A 51 -15.410 31.718 28.987 1.00 0.00 H new ATOM 0 HA SER A 51 -15.538 34.496 28.559 1.00 0.00 H new ATOM 0 HB2 SER A 51 -14.434 32.624 30.462 1.00 0.00 H new ATOM 0 HB3 SER A 51 -13.187 33.784 30.048 1.00 0.00 H new ATOM 0 HG SER A 51 -14.394 35.430 30.829 1.00 0.00 H new ATOM 526 N ARG A 52 -13.154 32.955 27.007 1.00 0.00 N ATOM 527 CA ARG A 52 -12.063 33.112 26.054 1.00 0.00 C ATOM 528 C ARG A 52 -12.540 32.861 24.628 1.00 0.00 C ATOM 529 O ARG A 52 -11.737 32.818 23.695 1.00 0.00 O ATOM 530 CB ARG A 52 -10.919 32.154 26.395 1.00 0.00 C ATOM 531 CG ARG A 52 -10.530 32.167 27.865 1.00 0.00 C ATOM 532 CD ARG A 52 -9.443 31.149 28.164 1.00 0.00 C ATOM 533 NE ARG A 52 -8.781 31.411 29.439 1.00 0.00 N ATOM 534 CZ ARG A 52 -7.683 32.151 29.562 1.00 0.00 C ATOM 535 NH1 ARG A 52 -7.124 32.698 28.491 1.00 0.00 N ATOM 536 NH2 ARG A 52 -7.141 32.343 30.758 1.00 0.00 N ATOM 0 H ARG A 52 -13.477 31.995 27.125 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.704 34.139 26.121 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.208 31.141 26.114 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.047 32.415 25.795 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.183 33.163 28.141 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.407 31.954 28.476 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.878 30.149 28.180 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.704 31.162 27.363 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.184 31.003 30.283 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.536 32.552 27.570 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.282 33.265 28.589 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.567 31.923 31.584 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.299 32.911 30.851 1.00 0.00 H new ATOM 550 N GLY A 53 -13.851 32.695 24.463 1.00 0.00 N ATOM 551 CA GLY A 53 -14.409 32.447 23.146 1.00 0.00 C ATOM 552 C GLY A 53 -13.788 31.235 22.482 1.00 0.00 C ATOM 553 O GLY A 53 -13.044 30.489 23.117 1.00 0.00 O ATOM 0 H GLY A 53 -14.535 32.728 25.219 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.486 32.301 23.231 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.255 33.323 22.517 1.00 0.00 H new ATOM 557 N PHE A 54 -14.091 31.030 21.204 1.00 0.00 N ATOM 558 CA PHE A 54 -13.548 29.893 20.471 1.00 0.00 C ATOM 559 C PHE A 54 -12.868 30.356 19.188 1.00 0.00 C ATOM 560 O PHE A 54 -13.312 31.309 18.547 1.00 0.00 O ATOM 561 CB PHE A 54 -14.654 28.886 20.147 1.00 0.00 C ATOM 562 CG PHE A 54 -16.026 29.494 20.085 1.00 0.00 C ATOM 563 CD1 PHE A 54 -16.491 30.064 18.912 1.00 0.00 C ATOM 564 CD2 PHE A 54 -16.850 29.496 21.201 1.00 0.00 C ATOM 565 CE1 PHE A 54 -17.752 30.626 18.850 1.00 0.00 C ATOM 566 CE2 PHE A 54 -18.111 30.056 21.144 1.00 0.00 C ATOM 567 CZ PHE A 54 -18.563 30.622 19.968 1.00 0.00 C ATOM 0 H PHE A 54 -14.706 31.633 20.658 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.805 29.405 21.102 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -14.433 28.412 19.191 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -14.649 28.099 20.901 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.861 30.069 18.035 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.502 29.055 22.123 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -18.103 31.068 17.929 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -18.744 30.051 22.019 1.00 0.00 H new ATOM 0 HZ PHE A 54 -19.549 31.061 19.923 1.00 0.00 H new ATOM 577 N ASN A 55 -11.787 29.677 18.821 1.00 0.00 N ATOM 578 CA ASN A 55 -11.043 30.019 17.616 1.00 0.00 C ATOM 579 C ASN A 55 -11.361 29.044 16.487 1.00 0.00 C ATOM 580 O ASN A 55 -11.300 27.828 16.671 1.00 0.00 O ATOM 581 CB ASN A 55 -9.540 30.007 17.904 1.00 0.00 C ATOM 582 CG ASN A 55 -8.849 31.273 17.440 1.00 0.00 C ATOM 583 OD1 ASN A 55 -9.009 32.336 18.039 1.00 0.00 O ATOM 584 ND2 ASN A 55 -8.073 31.165 16.368 1.00 0.00 N ATOM 0 H ASN A 55 -11.407 28.886 19.341 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.341 31.020 17.304 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.380 29.881 18.975 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.086 29.148 17.411 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.581 31.984 16.010 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.969 30.263 15.902 1.00 0.00 H new ATOM 591 N CYS A 56 -11.697 29.584 15.322 1.00 0.00 N ATOM 592 CA CYS A 56 -12.022 28.759 14.164 1.00 0.00 C ATOM 593 C CYS A 56 -10.870 28.756 13.166 1.00 0.00 C ATOM 594 O CYS A 56 -10.252 29.791 12.920 1.00 0.00 O ATOM 595 CB CYS A 56 -13.288 29.273 13.479 1.00 0.00 C ATOM 596 SG CYS A 56 -14.688 28.113 13.533 1.00 0.00 S ATOM 0 H CYS A 56 -11.752 30.589 15.154 1.00 0.00 H new ATOM 0 HA CYS A 56 -12.192 27.741 14.514 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.588 30.209 13.950 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.058 29.499 12.438 1.00 0.00 H new ATOM 601 N GLU A 57 -10.593 27.598 12.583 1.00 0.00 N ATOM 602 CA GLU A 57 -9.522 27.480 11.600 1.00 0.00 C ATOM 603 C GLU A 57 -9.927 26.525 10.485 1.00 0.00 C ATOM 604 O GLU A 57 -10.557 25.501 10.741 1.00 0.00 O ATOM 605 CB GLU A 57 -8.233 26.996 12.267 1.00 0.00 C ATOM 606 CG GLU A 57 -7.516 28.077 13.058 1.00 0.00 C ATOM 607 CD GLU A 57 -7.306 27.695 14.510 1.00 0.00 C ATOM 608 OE1 GLU A 57 -8.292 27.709 15.276 1.00 0.00 O ATOM 609 OE2 GLU A 57 -6.155 27.382 14.881 1.00 0.00 O ATOM 0 H GLU A 57 -11.092 26.729 12.772 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.342 28.465 11.169 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.468 26.165 12.933 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.560 26.611 11.501 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.550 28.279 12.596 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.093 29.001 13.009 1.00 0.00 H new ATOM 616 N SER A 58 -9.567 26.871 9.249 1.00 0.00 N ATOM 617 CA SER A 58 -9.899 26.048 8.087 1.00 0.00 C ATOM 618 C SER A 58 -9.839 24.562 8.430 1.00 0.00 C ATOM 619 O SER A 58 -8.878 24.095 9.041 1.00 0.00 O ATOM 620 CB SER A 58 -8.949 26.357 6.930 1.00 0.00 C ATOM 621 OG SER A 58 -7.797 25.535 6.980 1.00 0.00 O ATOM 0 H SER A 58 -9.044 27.718 9.027 1.00 0.00 H new ATOM 0 HA SER A 58 -10.919 26.288 7.785 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.465 26.207 5.982 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.653 27.405 6.969 1.00 0.00 H new ATOM 0 HG SER A 58 -7.287 25.636 6.150 1.00 0.00 H new ATOM 627 N LYS A 59 -10.878 23.829 8.042 1.00 0.00 N ATOM 628 CA LYS A 59 -10.948 22.399 8.319 1.00 0.00 C ATOM 629 C LYS A 59 -10.399 21.574 7.157 1.00 0.00 C ATOM 630 O LYS A 59 -10.369 22.027 6.012 1.00 0.00 O ATOM 631 CB LYS A 59 -12.388 21.989 8.626 1.00 0.00 C ATOM 632 CG LYS A 59 -13.141 21.467 7.419 1.00 0.00 C ATOM 633 CD LYS A 59 -13.180 19.947 7.394 1.00 0.00 C ATOM 634 CE LYS A 59 -13.883 19.429 6.150 1.00 0.00 C ATOM 635 NZ LYS A 59 -14.900 18.393 6.477 1.00 0.00 N ATOM 0 H LYS A 59 -11.682 24.201 7.536 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.326 22.199 9.191 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.381 21.221 9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.922 22.847 9.034 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -14.159 21.857 7.429 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.668 21.834 6.508 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.163 19.555 7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.693 19.580 8.283 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.364 20.259 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.146 19.010 5.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.566 18.298 5.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.427 17.482 6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -15.419 18.674 7.333 1.00 0.00 H new ATOM 649 N PRO A 60 -9.958 20.344 7.456 1.00 0.00 N ATOM 650 CA PRO A 60 -9.404 19.424 6.475 1.00 0.00 C ATOM 651 C PRO A 60 -10.461 18.487 5.896 1.00 0.00 C ATOM 652 O PRO A 60 -11.113 17.744 6.630 1.00 0.00 O ATOM 653 CB PRO A 60 -8.393 18.642 7.309 1.00 0.00 C ATOM 654 CG PRO A 60 -8.963 18.618 8.697 1.00 0.00 C ATOM 655 CD PRO A 60 -9.964 19.751 8.796 1.00 0.00 C ATOM 0 HA PRO A 60 -8.981 19.932 5.608 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.259 17.632 6.921 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.414 19.122 7.293 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.445 17.661 8.897 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.173 18.738 9.438 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.955 19.386 9.067 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.673 20.477 9.555 1.00 0.00 H new ATOM 663 N GLU A 61 -10.627 18.527 4.577 1.00 0.00 N ATOM 664 CA GLU A 61 -11.599 17.689 3.903 1.00 0.00 C ATOM 665 C GLU A 61 -10.988 16.356 3.503 1.00 0.00 C ATOM 666 O GLU A 61 -10.237 15.742 4.260 1.00 0.00 O ATOM 667 CB GLU A 61 -12.122 18.402 2.661 1.00 0.00 C ATOM 668 CG GLU A 61 -11.826 19.885 2.621 1.00 0.00 C ATOM 669 CD GLU A 61 -13.080 20.730 2.519 1.00 0.00 C ATOM 670 OE1 GLU A 61 -13.767 20.651 1.480 1.00 0.00 O ATOM 671 OE2 GLU A 61 -13.375 21.473 3.479 1.00 0.00 O ATOM 0 H GLU A 61 -10.095 19.136 3.956 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.421 17.499 4.593 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.688 17.933 1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.201 18.257 2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.276 20.166 3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.179 20.099 1.771 1.00 0.00 H new ATOM 678 N ALA A 62 -11.328 15.926 2.303 1.00 0.00 N ATOM 679 CA ALA A 62 -10.833 14.665 1.760 1.00 0.00 C ATOM 680 C ALA A 62 -10.623 14.766 0.255 1.00 0.00 C ATOM 681 O ALA A 62 -9.491 14.862 -0.220 1.00 0.00 O ATOM 682 CB ALA A 62 -11.798 13.535 2.087 1.00 0.00 C ATOM 0 H ALA A 62 -11.952 16.434 1.676 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.870 14.449 2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.416 12.600 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.897 13.442 3.169 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.773 13.752 1.651 1.00 0.00 H new ATOM 688 N GLU A 63 -11.722 14.751 -0.489 1.00 0.00 N ATOM 689 CA GLU A 63 -11.668 14.848 -1.942 1.00 0.00 C ATOM 690 C GLU A 63 -11.568 16.308 -2.374 1.00 0.00 C ATOM 691 O GLU A 63 -12.414 16.808 -3.116 1.00 0.00 O ATOM 692 CB GLU A 63 -12.904 14.199 -2.566 1.00 0.00 C ATOM 693 CG GLU A 63 -12.753 12.705 -2.804 1.00 0.00 C ATOM 694 CD GLU A 63 -11.652 12.379 -3.795 1.00 0.00 C ATOM 695 OE1 GLU A 63 -11.463 13.161 -4.751 1.00 0.00 O ATOM 696 OE2 GLU A 63 -10.979 11.343 -3.616 1.00 0.00 O ATOM 0 H GLU A 63 -12.665 14.672 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.781 14.318 -2.290 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.761 14.370 -1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.122 14.689 -3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.542 12.210 -1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.697 12.302 -3.171 1.00 0.00 H new ATOM 703 N GLU A 64 -10.528 16.984 -1.898 1.00 0.00 N ATOM 704 CA GLU A 64 -10.310 18.388 -2.223 1.00 0.00 C ATOM 705 C GLU A 64 -10.128 18.583 -3.723 1.00 0.00 C ATOM 706 O GLU A 64 -9.594 17.716 -4.414 1.00 0.00 O ATOM 707 CB GLU A 64 -9.086 18.916 -1.475 1.00 0.00 C ATOM 708 CG GLU A 64 -9.434 19.818 -0.304 1.00 0.00 C ATOM 709 CD GLU A 64 -8.405 19.754 0.808 1.00 0.00 C ATOM 710 OE1 GLU A 64 -7.220 20.040 0.537 1.00 0.00 O ATOM 711 OE2 GLU A 64 -8.784 19.416 1.949 1.00 0.00 O ATOM 0 H GLU A 64 -9.821 16.580 -1.284 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.192 18.948 -1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.500 18.072 -1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.454 19.466 -2.172 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.520 20.846 -0.655 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.409 19.534 0.092 1.00 0.00 H new ATOM 718 N THR A 65 -10.575 19.733 -4.219 1.00 0.00 N ATOM 719 CA THR A 65 -10.463 20.054 -5.636 1.00 0.00 C ATOM 720 C THR A 65 -10.317 21.557 -5.844 1.00 0.00 C ATOM 721 O THR A 65 -10.227 22.325 -4.885 1.00 0.00 O ATOM 722 CB THR A 65 -11.692 19.577 -6.428 1.00 0.00 C ATOM 723 OG1 THR A 65 -12.847 19.555 -5.582 1.00 0.00 O ATOM 724 CG2 THR A 65 -11.466 18.198 -7.020 1.00 0.00 C ATOM 0 H THR A 65 -11.019 20.459 -3.658 1.00 0.00 H new ATOM 0 HA THR A 65 -9.576 19.536 -6.001 1.00 0.00 H new ATOM 0 HB THR A 65 -11.854 20.279 -7.246 1.00 0.00 H new ATOM 0 HG1 THR A 65 -13.624 19.252 -6.097 1.00 0.00 H new ATOM 0 HG21 THR A 65 -12.353 17.890 -7.573 1.00 0.00 H new ATOM 0 HG22 THR A 65 -10.610 18.227 -7.694 1.00 0.00 H new ATOM 0 HG23 THR A 65 -11.273 17.485 -6.218 1.00 0.00 H new ATOM 732 N CYS A 66 -10.310 21.967 -7.107 1.00 0.00 N ATOM 733 CA CYS A 66 -10.191 23.374 -7.465 1.00 0.00 C ATOM 734 C CYS A 66 -10.995 23.658 -8.728 1.00 0.00 C ATOM 735 O CYS A 66 -10.775 23.032 -9.764 1.00 0.00 O ATOM 736 CB CYS A 66 -8.725 23.750 -7.677 1.00 0.00 C ATOM 737 SG CYS A 66 -7.626 22.325 -7.957 1.00 0.00 S ATOM 0 H CYS A 66 -10.386 21.338 -7.906 1.00 0.00 H new ATOM 0 HA CYS A 66 -10.587 23.978 -6.648 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -8.654 24.424 -8.531 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -8.373 24.301 -6.805 1.00 0.00 H new ATOM 742 N PHE A 67 -11.934 24.591 -8.636 1.00 0.00 N ATOM 743 CA PHE A 67 -12.776 24.934 -9.776 1.00 0.00 C ATOM 744 C PHE A 67 -12.269 26.181 -10.490 1.00 0.00 C ATOM 745 O PHE A 67 -11.753 27.106 -9.863 1.00 0.00 O ATOM 746 CB PHE A 67 -14.219 25.154 -9.322 1.00 0.00 C ATOM 747 CG PHE A 67 -15.129 25.636 -10.418 1.00 0.00 C ATOM 748 CD1 PHE A 67 -15.711 24.734 -11.293 1.00 0.00 C ATOM 749 CD2 PHE A 67 -15.404 26.988 -10.573 1.00 0.00 C ATOM 750 CE1 PHE A 67 -16.549 25.168 -12.302 1.00 0.00 C ATOM 751 CE2 PHE A 67 -16.241 27.427 -11.581 1.00 0.00 C ATOM 752 CZ PHE A 67 -16.813 26.517 -12.446 1.00 0.00 C ATOM 0 H PHE A 67 -12.132 25.122 -7.788 1.00 0.00 H new ATOM 0 HA PHE A 67 -12.737 24.100 -10.476 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -14.611 24.220 -8.921 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.228 25.879 -8.508 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.507 23.679 -11.185 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -14.959 27.704 -9.898 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.997 24.454 -12.977 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -16.447 28.481 -11.692 1.00 0.00 H new ATOM 0 HZ PHE A 67 -17.467 26.859 -13.235 1.00 0.00 H new ATOM 762 N ASP A 68 -12.442 26.198 -11.806 1.00 0.00 N ATOM 763 CA ASP A 68 -12.029 27.332 -12.620 1.00 0.00 C ATOM 764 C ASP A 68 -13.251 28.015 -13.215 1.00 0.00 C ATOM 765 O ASP A 68 -13.958 27.436 -14.040 1.00 0.00 O ATOM 766 CB ASP A 68 -11.084 26.877 -13.734 1.00 0.00 C ATOM 767 CG ASP A 68 -10.337 28.036 -14.366 1.00 0.00 C ATOM 768 OD1 ASP A 68 -9.778 28.862 -13.614 1.00 0.00 O ATOM 769 OD2 ASP A 68 -10.311 28.116 -15.612 1.00 0.00 O ATOM 0 H ASP A 68 -12.867 25.435 -12.333 1.00 0.00 H new ATOM 0 HA ASP A 68 -11.498 28.042 -11.986 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.367 26.163 -13.329 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.656 26.355 -14.501 1.00 0.00 H new ATOM 774 N LYS A 69 -13.501 29.245 -12.786 1.00 0.00 N ATOM 775 CA LYS A 69 -14.645 30.004 -13.274 1.00 0.00 C ATOM 776 C LYS A 69 -14.317 30.675 -14.603 1.00 0.00 C ATOM 777 O LYS A 69 -15.125 31.424 -15.151 1.00 0.00 O ATOM 778 CB LYS A 69 -15.068 31.053 -12.244 1.00 0.00 C ATOM 779 CG LYS A 69 -14.451 30.848 -10.869 1.00 0.00 C ATOM 780 CD LYS A 69 -13.136 31.599 -10.731 1.00 0.00 C ATOM 781 CE LYS A 69 -12.131 30.815 -9.904 1.00 0.00 C ATOM 782 NZ LYS A 69 -12.702 30.376 -8.602 1.00 0.00 N ATOM 0 H LYS A 69 -12.928 29.738 -12.102 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.473 29.312 -13.430 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.792 32.041 -12.612 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -16.154 31.039 -12.150 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.147 31.188 -10.102 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.283 29.784 -10.699 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -12.722 31.794 -11.720 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -13.316 32.567 -10.264 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -11.800 29.943 -10.467 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.250 31.431 -9.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.933 30.075 -7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.220 31.166 -8.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.353 29.580 -8.759 1.00 0.00 H new ATOM 796 N TYR A 70 -13.122 30.400 -15.112 1.00 0.00 N ATOM 797 CA TYR A 70 -12.672 30.969 -16.371 1.00 0.00 C ATOM 798 C TYR A 70 -13.056 30.067 -17.540 1.00 0.00 C ATOM 799 O TYR A 70 -13.394 30.546 -18.623 1.00 0.00 O ATOM 800 CB TYR A 70 -11.157 31.170 -16.332 1.00 0.00 C ATOM 801 CG TYR A 70 -10.708 32.220 -15.338 1.00 0.00 C ATOM 802 CD1 TYR A 70 -10.978 32.084 -13.981 1.00 0.00 C ATOM 803 CD2 TYR A 70 -10.012 33.348 -15.757 1.00 0.00 C ATOM 804 CE1 TYR A 70 -10.570 33.039 -13.071 1.00 0.00 C ATOM 805 CE2 TYR A 70 -9.599 34.308 -14.852 1.00 0.00 C ATOM 806 CZ TYR A 70 -9.880 34.149 -13.511 1.00 0.00 C ATOM 807 OH TYR A 70 -9.471 35.103 -12.608 1.00 0.00 O ATOM 0 H TYR A 70 -12.445 29.781 -14.666 1.00 0.00 H new ATOM 0 HA TYR A 70 -13.159 31.934 -16.513 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -10.680 30.222 -16.086 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -10.811 31.452 -17.326 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.517 31.215 -13.632 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -9.790 33.476 -16.806 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -10.790 32.917 -12.021 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.059 35.179 -15.193 1.00 0.00 H new ATOM 0 HH TYR A 70 -8.997 35.819 -13.081 1.00 0.00 H new ATOM 817 N THR A 71 -13.004 28.758 -17.311 1.00 0.00 N ATOM 818 CA THR A 71 -13.352 27.784 -18.340 1.00 0.00 C ATOM 819 C THR A 71 -14.560 26.955 -17.919 1.00 0.00 C ATOM 820 O THR A 71 -15.260 26.386 -18.758 1.00 0.00 O ATOM 821 CB THR A 71 -12.174 26.841 -18.646 1.00 0.00 C ATOM 822 OG1 THR A 71 -11.506 26.479 -17.430 1.00 0.00 O ATOM 823 CG2 THR A 71 -11.184 27.500 -19.596 1.00 0.00 C ATOM 0 H THR A 71 -12.724 28.347 -16.420 1.00 0.00 H new ATOM 0 HA THR A 71 -13.595 28.347 -19.241 1.00 0.00 H new ATOM 0 HB THR A 71 -12.571 25.945 -19.124 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.053 27.265 -17.059 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.361 26.814 -19.797 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.687 27.748 -20.531 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.795 28.411 -19.141 1.00 0.00 H new ATOM 831 N GLY A 72 -14.803 26.900 -16.613 1.00 0.00 N ATOM 832 CA GLY A 72 -15.930 26.151 -16.093 1.00 0.00 C ATOM 833 C GLY A 72 -15.618 24.682 -15.878 1.00 0.00 C ATOM 834 O GLY A 72 -16.514 23.840 -15.936 1.00 0.00 O ATOM 0 H GLY A 72 -14.236 27.364 -15.903 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.247 26.592 -15.148 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.769 26.241 -16.783 1.00 0.00 H new ATOM 838 N ASN A 73 -14.350 24.370 -15.626 1.00 0.00 N ATOM 839 CA ASN A 73 -13.936 22.993 -15.402 1.00 0.00 C ATOM 840 C ASN A 73 -13.353 22.815 -14.004 1.00 0.00 C ATOM 841 O ASN A 73 -12.772 23.742 -13.438 1.00 0.00 O ATOM 842 CB ASN A 73 -12.905 22.557 -16.447 1.00 0.00 C ATOM 843 CG ASN A 73 -13.142 23.174 -17.807 1.00 0.00 C ATOM 844 OD1 ASN A 73 -14.242 23.628 -18.121 1.00 0.00 O ATOM 845 ND2 ASN A 73 -12.104 23.182 -18.629 1.00 0.00 N ATOM 0 H ASN A 73 -13.594 25.053 -15.572 1.00 0.00 H new ATOM 0 HA ASN A 73 -14.823 22.366 -15.494 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -11.908 22.828 -16.100 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -12.926 21.471 -16.539 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.198 23.576 -19.565 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.210 22.795 -18.326 1.00 0.00 H new ATOM 852 N THR A 74 -13.512 21.615 -13.455 1.00 0.00 N ATOM 853 CA THR A 74 -13.007 21.301 -12.124 1.00 0.00 C ATOM 854 C THR A 74 -11.813 20.357 -12.196 1.00 0.00 C ATOM 855 O THR A 74 -11.787 19.430 -13.007 1.00 0.00 O ATOM 856 CB THR A 74 -14.096 20.661 -11.248 1.00 0.00 C ATOM 857 OG1 THR A 74 -15.370 21.249 -11.539 1.00 0.00 O ATOM 858 CG2 THR A 74 -13.771 20.844 -9.774 1.00 0.00 C ATOM 0 H THR A 74 -13.990 20.840 -13.915 1.00 0.00 H new ATOM 0 HA THR A 74 -12.695 22.244 -11.675 1.00 0.00 H new ATOM 0 HB THR A 74 -14.133 19.594 -11.469 1.00 0.00 H new ATOM 0 HG1 THR A 74 -16.058 20.834 -10.977 1.00 0.00 H new ATOM 0 HG21 THR A 74 -14.553 20.385 -9.169 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.815 20.371 -9.551 1.00 0.00 H new ATOM 0 HG23 THR A 74 -13.712 21.908 -9.544 1.00 0.00 H new ATOM 866 N TYR A 75 -10.830 20.598 -11.337 1.00 0.00 N ATOM 867 CA TYR A 75 -9.630 19.773 -11.285 1.00 0.00 C ATOM 868 C TYR A 75 -9.400 19.276 -9.866 1.00 0.00 C ATOM 869 O TYR A 75 -9.939 19.836 -8.914 1.00 0.00 O ATOM 870 CB TYR A 75 -8.411 20.566 -11.768 1.00 0.00 C ATOM 871 CG TYR A 75 -8.747 21.643 -12.775 1.00 0.00 C ATOM 872 CD1 TYR A 75 -9.228 22.878 -12.361 1.00 0.00 C ATOM 873 CD2 TYR A 75 -8.588 21.424 -14.136 1.00 0.00 C ATOM 874 CE1 TYR A 75 -9.540 23.864 -13.275 1.00 0.00 C ATOM 875 CE2 TYR A 75 -8.898 22.406 -15.058 1.00 0.00 C ATOM 876 CZ TYR A 75 -9.374 23.624 -14.622 1.00 0.00 C ATOM 877 OH TYR A 75 -9.685 24.605 -15.536 1.00 0.00 O ATOM 0 H TYR A 75 -10.841 21.363 -10.663 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.769 18.916 -11.944 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.923 21.024 -10.908 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.693 19.877 -12.212 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -9.360 23.070 -11.306 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -8.216 20.470 -14.481 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -9.913 24.819 -12.936 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.768 22.220 -16.114 1.00 0.00 H new ATOM 0 HH TYR A 75 -8.867 25.074 -15.803 1.00 0.00 H new ATOM 887 N ARG A 76 -8.602 18.226 -9.724 1.00 0.00 N ATOM 888 CA ARG A 76 -8.316 17.668 -8.409 1.00 0.00 C ATOM 889 C ARG A 76 -6.942 18.110 -7.915 1.00 0.00 C ATOM 890 O ARG A 76 -6.068 18.451 -8.712 1.00 0.00 O ATOM 891 CB ARG A 76 -8.380 16.142 -8.452 1.00 0.00 C ATOM 892 CG ARG A 76 -9.432 15.555 -7.529 1.00 0.00 C ATOM 893 CD ARG A 76 -10.707 15.232 -8.285 1.00 0.00 C ATOM 894 NE ARG A 76 -11.650 14.470 -7.471 1.00 0.00 N ATOM 895 CZ ARG A 76 -12.745 13.893 -7.958 1.00 0.00 C ATOM 896 NH1 ARG A 76 -13.034 13.992 -9.249 1.00 0.00 N ATOM 897 NH2 ARG A 76 -13.554 13.217 -7.153 1.00 0.00 N ATOM 0 H ARG A 76 -8.144 17.746 -10.498 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.071 18.040 -7.717 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.586 15.823 -9.474 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -7.404 15.737 -8.182 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -9.045 14.650 -7.061 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -9.650 16.260 -6.727 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.178 16.159 -8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.462 14.664 -9.182 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.458 14.375 -6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.416 14.512 -9.872 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.875 13.548 -9.619 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.337 13.139 -6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.393 12.775 -7.528 1.00 0.00 H new ATOM 911 N VAL A 77 -6.757 18.097 -6.598 1.00 0.00 N ATOM 912 CA VAL A 77 -5.486 18.492 -6.002 1.00 0.00 C ATOM 913 C VAL A 77 -4.349 17.602 -6.496 1.00 0.00 C ATOM 914 O VAL A 77 -4.295 16.415 -6.177 1.00 0.00 O ATOM 915 CB VAL A 77 -5.541 18.424 -4.463 1.00 0.00 C ATOM 916 CG1 VAL A 77 -4.319 19.092 -3.853 1.00 0.00 C ATOM 917 CG2 VAL A 77 -6.821 19.063 -3.944 1.00 0.00 C ATOM 0 H VAL A 77 -7.470 17.818 -5.925 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.300 19.522 -6.307 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.539 17.375 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.377 19.033 -2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.418 18.585 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.285 20.138 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.841 19.005 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.857 20.108 -4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.683 18.534 -4.352 1.00 0.00 H new ATOM 927 N GLY A 78 -3.443 18.186 -7.274 1.00 0.00 N ATOM 928 CA GLY A 78 -2.319 17.432 -7.799 1.00 0.00 C ATOM 929 C GLY A 78 -2.318 17.365 -9.314 1.00 0.00 C ATOM 930 O GLY A 78 -1.588 16.570 -9.905 1.00 0.00 O ATOM 0 H GLY A 78 -3.467 19.168 -7.550 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.389 17.888 -7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -2.344 16.420 -7.394 1.00 0.00 H new ATOM 934 N ASP A 79 -3.137 18.201 -9.943 1.00 0.00 N ATOM 935 CA ASP A 79 -3.227 18.235 -11.398 1.00 0.00 C ATOM 936 C ASP A 79 -2.816 19.602 -11.933 1.00 0.00 C ATOM 937 O ASP A 79 -2.573 20.531 -11.162 1.00 0.00 O ATOM 938 CB ASP A 79 -4.649 17.903 -11.851 1.00 0.00 C ATOM 939 CG ASP A 79 -4.757 16.510 -12.442 1.00 0.00 C ATOM 940 OD1 ASP A 79 -3.895 16.148 -13.272 1.00 0.00 O ATOM 941 OD2 ASP A 79 -5.704 15.782 -12.077 1.00 0.00 O ATOM 0 H ASP A 79 -3.748 18.865 -9.467 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.544 17.486 -11.798 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.327 17.988 -11.002 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.972 18.635 -12.591 1.00 0.00 H new ATOM 946 N THR A 80 -2.738 19.719 -13.254 1.00 0.00 N ATOM 947 CA THR A 80 -2.355 20.974 -13.888 1.00 0.00 C ATOM 948 C THR A 80 -3.190 21.241 -15.134 1.00 0.00 C ATOM 949 O THR A 80 -3.750 20.319 -15.726 1.00 0.00 O ATOM 950 CB THR A 80 -0.865 20.978 -14.275 1.00 0.00 C ATOM 951 OG1 THR A 80 -0.544 19.785 -15.001 1.00 0.00 O ATOM 952 CG2 THR A 80 0.012 21.077 -13.038 1.00 0.00 C ATOM 0 H THR A 80 -2.935 18.960 -13.906 1.00 0.00 H new ATOM 0 HA THR A 80 -2.536 21.762 -13.157 1.00 0.00 H new ATOM 0 HB THR A 80 -0.677 21.847 -14.906 1.00 0.00 H new ATOM 0 HG1 THR A 80 0.405 19.796 -15.245 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.061 21.078 -13.335 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.215 22.000 -12.504 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.180 20.224 -12.387 1.00 0.00 H new ATOM 960 N TYR A 81 -3.269 22.508 -15.527 1.00 0.00 N ATOM 961 CA TYR A 81 -4.036 22.897 -16.704 1.00 0.00 C ATOM 962 C TYR A 81 -3.495 24.189 -17.309 1.00 0.00 C ATOM 963 O TYR A 81 -2.834 24.975 -16.632 1.00 0.00 O ATOM 964 CB TYR A 81 -5.514 23.068 -16.344 1.00 0.00 C ATOM 965 CG TYR A 81 -5.765 24.109 -15.276 1.00 0.00 C ATOM 966 CD1 TYR A 81 -5.658 23.791 -13.928 1.00 0.00 C ATOM 967 CD2 TYR A 81 -6.112 25.411 -15.618 1.00 0.00 C ATOM 968 CE1 TYR A 81 -5.889 24.741 -12.951 1.00 0.00 C ATOM 969 CE2 TYR A 81 -6.344 26.366 -14.646 1.00 0.00 C ATOM 970 CZ TYR A 81 -6.231 26.026 -13.314 1.00 0.00 C ATOM 971 OH TYR A 81 -6.462 26.973 -12.345 1.00 0.00 O ATOM 0 H TYR A 81 -2.811 23.283 -15.047 1.00 0.00 H new ATOM 0 HA TYR A 81 -3.939 22.104 -17.445 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -6.068 23.341 -17.242 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -5.909 22.110 -16.005 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -5.390 22.786 -13.639 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -6.202 25.681 -16.660 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.802 24.478 -11.907 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -6.612 27.373 -14.928 1.00 0.00 H new ATOM 0 HH TYR A 81 -6.691 27.826 -12.769 1.00 0.00 H new ATOM 981 N GLU A 82 -3.780 24.399 -18.592 1.00 0.00 N ATOM 982 CA GLU A 82 -3.329 25.586 -19.295 1.00 0.00 C ATOM 983 C GLU A 82 -4.506 26.499 -19.625 1.00 0.00 C ATOM 984 O GLU A 82 -5.429 26.105 -20.338 1.00 0.00 O ATOM 985 CB GLU A 82 -2.618 25.175 -20.580 1.00 0.00 C ATOM 986 CG GLU A 82 -1.311 24.435 -20.345 1.00 0.00 C ATOM 987 CD GLU A 82 -0.256 24.766 -21.383 1.00 0.00 C ATOM 988 OE1 GLU A 82 -0.580 25.484 -22.353 1.00 0.00 O ATOM 989 OE2 GLU A 82 0.894 24.307 -21.227 1.00 0.00 O ATOM 0 H GLU A 82 -4.325 23.755 -19.165 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.640 26.133 -18.652 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.284 24.542 -21.166 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -2.419 26.066 -21.176 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.931 24.684 -19.354 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -1.499 23.361 -20.354 1.00 0.00 H new ATOM 996 N ARG A 83 -4.467 27.723 -19.105 1.00 0.00 N ATOM 997 CA ARG A 83 -5.532 28.690 -19.348 1.00 0.00 C ATOM 998 C ARG A 83 -4.960 30.092 -19.559 1.00 0.00 C ATOM 999 O ARG A 83 -4.197 30.588 -18.730 1.00 0.00 O ATOM 1000 CB ARG A 83 -6.516 28.699 -18.177 1.00 0.00 C ATOM 1001 CG ARG A 83 -7.892 28.164 -18.534 1.00 0.00 C ATOM 1002 CD ARG A 83 -7.926 26.645 -18.498 1.00 0.00 C ATOM 1003 NE ARG A 83 -8.193 26.072 -19.815 1.00 0.00 N ATOM 1004 CZ ARG A 83 -8.824 24.916 -20.003 1.00 0.00 C ATOM 1005 NH1 ARG A 83 -9.250 24.212 -18.963 1.00 0.00 N ATOM 1006 NH2 ARG A 83 -9.026 24.463 -21.233 1.00 0.00 N ATOM 0 H ARG A 83 -3.711 28.068 -18.514 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.058 28.393 -20.255 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.104 28.103 -17.363 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.617 29.719 -17.806 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.630 28.562 -17.838 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.172 28.512 -19.528 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.973 26.270 -18.126 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.693 26.316 -17.797 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.878 26.587 -20.637 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -9.094 24.556 -18.016 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -9.733 23.326 -19.110 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.698 25.001 -22.035 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.510 23.577 -21.377 1.00 0.00 H new ATOM 1020 N PRO A 84 -5.328 30.754 -20.672 1.00 0.00 N ATOM 1021 CA PRO A 84 -4.848 32.106 -20.978 1.00 0.00 C ATOM 1022 C PRO A 84 -5.514 33.161 -20.096 1.00 0.00 C ATOM 1023 O PRO A 84 -6.454 32.856 -19.362 1.00 0.00 O ATOM 1024 CB PRO A 84 -5.252 32.298 -22.440 1.00 0.00 C ATOM 1025 CG PRO A 84 -6.447 31.427 -22.618 1.00 0.00 C ATOM 1026 CD PRO A 84 -6.242 30.242 -21.712 1.00 0.00 C ATOM 0 HA PRO A 84 -3.778 32.216 -20.801 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -5.487 33.341 -22.653 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -4.447 32.009 -23.115 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.361 31.962 -22.359 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.547 31.111 -23.656 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.183 29.897 -21.284 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.807 29.398 -22.248 1.00 0.00 H new ATOM 1034 N LYS A 85 -5.027 34.400 -20.169 1.00 0.00 N ATOM 1035 CA LYS A 85 -5.591 35.485 -19.367 1.00 0.00 C ATOM 1036 C LYS A 85 -5.019 36.846 -19.764 1.00 0.00 C ATOM 1037 O LYS A 85 -3.805 37.007 -19.885 1.00 0.00 O ATOM 1038 CB LYS A 85 -5.328 35.235 -17.882 1.00 0.00 C ATOM 1039 CG LYS A 85 -6.573 34.875 -17.090 1.00 0.00 C ATOM 1040 CD LYS A 85 -6.245 33.948 -15.931 1.00 0.00 C ATOM 1041 CE LYS A 85 -5.801 34.728 -14.703 1.00 0.00 C ATOM 1042 NZ LYS A 85 -5.132 33.853 -13.702 1.00 0.00 N ATOM 0 H LYS A 85 -4.250 34.676 -20.770 1.00 0.00 H new ATOM 0 HA LYS A 85 -6.664 35.503 -19.555 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.600 34.430 -17.782 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.878 36.127 -17.447 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.040 35.784 -16.710 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.298 34.395 -17.747 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.121 33.347 -15.685 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.457 33.256 -16.229 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.118 35.522 -15.005 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.666 35.208 -14.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.532 34.035 -12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.284 32.856 -13.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.112 34.055 -13.691 1.00 0.00 H new ATOM 1056 N ASP A 86 -5.917 37.818 -19.946 1.00 0.00 N ATOM 1057 CA ASP A 86 -5.550 39.186 -20.311 1.00 0.00 C ATOM 1058 C ASP A 86 -5.121 39.281 -21.768 1.00 0.00 C ATOM 1059 O ASP A 86 -5.746 39.975 -22.571 1.00 0.00 O ATOM 1060 CB ASP A 86 -4.435 39.710 -19.401 1.00 0.00 C ATOM 1061 CG ASP A 86 -4.930 40.762 -18.427 1.00 0.00 C ATOM 1062 OD1 ASP A 86 -5.172 41.907 -18.862 1.00 0.00 O ATOM 1063 OD2 ASP A 86 -5.074 40.440 -17.228 1.00 0.00 O ATOM 0 H ASP A 86 -6.922 37.676 -19.844 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.437 39.806 -20.178 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -4.003 38.878 -18.845 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -3.638 40.132 -20.013 1.00 0.00 H new ATOM 1068 N SER A 87 -4.047 38.585 -22.093 1.00 0.00 N ATOM 1069 CA SER A 87 -3.506 38.581 -23.447 1.00 0.00 C ATOM 1070 C SER A 87 -2.390 37.552 -23.573 1.00 0.00 C ATOM 1071 O SER A 87 -1.793 37.389 -24.637 1.00 0.00 O ATOM 1072 CB SER A 87 -2.973 39.969 -23.800 1.00 0.00 C ATOM 1073 OG SER A 87 -3.865 40.657 -24.659 1.00 0.00 O ATOM 0 H SER A 87 -3.525 38.009 -21.433 1.00 0.00 H new ATOM 0 HA SER A 87 -4.305 38.316 -24.139 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.824 40.547 -22.888 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.999 39.876 -24.281 1.00 0.00 H new ATOM 0 HG SER A 87 -4.762 40.659 -24.265 1.00 0.00 H new ATOM 1079 N MET A 88 -2.125 36.857 -22.474 1.00 0.00 N ATOM 1080 CA MET A 88 -1.096 35.837 -22.434 1.00 0.00 C ATOM 1081 C MET A 88 -1.710 34.487 -22.087 1.00 0.00 C ATOM 1082 O MET A 88 -2.929 34.326 -22.121 1.00 0.00 O ATOM 1083 CB MET A 88 -0.034 36.205 -21.399 1.00 0.00 C ATOM 1084 CG MET A 88 -0.221 37.582 -20.779 1.00 0.00 C ATOM 1085 SD MET A 88 -0.368 37.524 -18.984 1.00 0.00 S ATOM 1086 CE MET A 88 1.056 38.494 -18.496 1.00 0.00 C ATOM 0 H MET A 88 -2.618 36.987 -21.590 1.00 0.00 H new ATOM 0 HA MET A 88 -0.628 35.772 -23.416 1.00 0.00 H new ATOM 0 HB2 MET A 88 -0.041 35.457 -20.606 1.00 0.00 H new ATOM 0 HB3 MET A 88 0.948 36.161 -21.870 1.00 0.00 H new ATOM 0 HG2 MET A 88 0.624 38.215 -21.050 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.114 38.046 -21.198 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.103 38.550 -17.408 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.964 38.024 -18.874 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.970 39.499 -18.908 1.00 0.00 H new ATOM 1096 N ILE A 89 -0.866 33.526 -21.740 1.00 0.00 N ATOM 1097 CA ILE A 89 -1.335 32.205 -21.371 1.00 0.00 C ATOM 1098 C ILE A 89 -0.707 31.789 -20.044 1.00 0.00 C ATOM 1099 O ILE A 89 0.515 31.812 -19.888 1.00 0.00 O ATOM 1100 CB ILE A 89 -1.023 31.164 -22.473 1.00 0.00 C ATOM 1101 CG1 ILE A 89 -0.466 29.878 -21.870 1.00 0.00 C ATOM 1102 CG2 ILE A 89 -0.046 31.738 -23.489 1.00 0.00 C ATOM 1103 CD1 ILE A 89 -1.518 29.004 -21.220 1.00 0.00 C ATOM 0 H ILE A 89 0.147 33.640 -21.707 1.00 0.00 H new ATOM 0 HA ILE A 89 -2.419 32.244 -21.259 1.00 0.00 H new ATOM 0 HB ILE A 89 -1.956 30.924 -22.982 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.035 29.308 -22.652 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.291 30.133 -21.128 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.162 30.992 -24.256 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -0.481 32.623 -23.952 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.883 32.010 -22.987 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.047 28.109 -20.814 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.003 29.556 -20.415 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.263 28.717 -21.963 1.00 0.00 H new ATOM 1115 N TRP A 90 -1.551 31.431 -19.085 1.00 0.00 N ATOM 1116 CA TRP A 90 -1.079 31.033 -17.765 1.00 0.00 C ATOM 1117 C TRP A 90 -1.202 29.529 -17.554 1.00 0.00 C ATOM 1118 O TRP A 90 -2.280 28.957 -17.703 1.00 0.00 O ATOM 1119 CB TRP A 90 -1.878 31.765 -16.682 1.00 0.00 C ATOM 1120 CG TRP A 90 -1.669 33.246 -16.685 1.00 0.00 C ATOM 1121 CD1 TRP A 90 -2.159 34.145 -17.587 1.00 0.00 C ATOM 1122 CD2 TRP A 90 -0.911 34.002 -15.738 1.00 0.00 C ATOM 1123 NE1 TRP A 90 -1.745 35.414 -17.262 1.00 0.00 N ATOM 1124 CE2 TRP A 90 -0.978 35.352 -16.128 1.00 0.00 C ATOM 1125 CE3 TRP A 90 -0.179 33.666 -14.598 1.00 0.00 C ATOM 1126 CZ2 TRP A 90 -0.335 36.362 -15.415 1.00 0.00 C ATOM 1127 CZ3 TRP A 90 0.454 34.666 -13.893 1.00 0.00 C ATOM 1128 CH2 TRP A 90 0.375 35.999 -14.301 1.00 0.00 C ATOM 0 H TRP A 90 -2.565 31.408 -19.196 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.025 31.302 -17.696 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -2.939 31.555 -16.820 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.599 31.369 -15.706 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -2.782 33.895 -18.433 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -1.971 36.263 -17.780 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -0.110 32.638 -14.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -0.394 37.394 -15.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 1.021 34.414 -13.009 1.00 0.00 H new ATOM 0 HH2 TRP A 90 0.884 36.759 -13.727 1.00 0.00 H new ATOM 1139 N ASP A 91 -0.094 28.901 -17.180 1.00 0.00 N ATOM 1140 CA ASP A 91 -0.077 27.468 -16.916 1.00 0.00 C ATOM 1141 C ASP A 91 -0.330 27.221 -15.433 1.00 0.00 C ATOM 1142 O ASP A 91 0.509 26.659 -14.730 1.00 0.00 O ATOM 1143 CB ASP A 91 1.267 26.865 -17.329 1.00 0.00 C ATOM 1144 CG ASP A 91 1.177 26.074 -18.618 1.00 0.00 C ATOM 1145 OD1 ASP A 91 1.098 26.702 -19.694 1.00 0.00 O ATOM 1146 OD2 ASP A 91 1.186 24.827 -18.551 1.00 0.00 O ATOM 0 H ASP A 91 0.806 29.363 -17.053 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.863 26.989 -17.501 1.00 0.00 H new ATOM 0 HB2 ASP A 91 1.999 27.664 -17.447 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.630 26.215 -16.533 1.00 0.00 H new ATOM 1151 N CYS A 92 -1.492 27.665 -14.964 1.00 0.00 N ATOM 1152 CA CYS A 92 -1.868 27.520 -13.566 1.00 0.00 C ATOM 1153 C CYS A 92 -1.892 26.058 -13.136 1.00 0.00 C ATOM 1154 O CYS A 92 -2.326 25.181 -13.883 1.00 0.00 O ATOM 1155 CB CYS A 92 -3.237 28.156 -13.326 1.00 0.00 C ATOM 1156 SG CYS A 92 -3.355 29.893 -13.865 1.00 0.00 S ATOM 0 H CYS A 92 -2.193 28.132 -15.539 1.00 0.00 H new ATOM 0 HA CYS A 92 -1.116 28.031 -12.965 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -3.994 27.572 -13.850 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -3.470 28.100 -12.263 1.00 0.00 H new ATOM 1161 N THR A 93 -1.429 25.813 -11.914 1.00 0.00 N ATOM 1162 CA THR A 93 -1.396 24.472 -11.351 1.00 0.00 C ATOM 1163 C THR A 93 -2.411 24.344 -10.222 1.00 0.00 C ATOM 1164 O THR A 93 -2.674 25.307 -9.501 1.00 0.00 O ATOM 1165 CB THR A 93 0.003 24.129 -10.807 1.00 0.00 C ATOM 1166 OG1 THR A 93 0.387 25.084 -9.811 1.00 0.00 O ATOM 1167 CG2 THR A 93 1.029 24.120 -11.928 1.00 0.00 C ATOM 0 H THR A 93 -1.068 26.536 -11.291 1.00 0.00 H new ATOM 0 HA THR A 93 -1.645 23.776 -12.152 1.00 0.00 H new ATOM 0 HB THR A 93 -0.036 23.135 -10.362 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.277 24.859 -9.468 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.010 23.875 -11.521 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.748 23.374 -12.672 1.00 0.00 H new ATOM 0 HG23 THR A 93 1.065 25.104 -12.396 1.00 0.00 H new ATOM 1175 N CYS A 94 -2.980 23.155 -10.070 1.00 0.00 N ATOM 1176 CA CYS A 94 -3.964 22.912 -9.024 1.00 0.00 C ATOM 1177 C CYS A 94 -3.300 22.309 -7.793 1.00 0.00 C ATOM 1178 O CYS A 94 -2.692 21.240 -7.863 1.00 0.00 O ATOM 1179 CB CYS A 94 -5.063 21.979 -9.535 1.00 0.00 C ATOM 1180 SG CYS A 94 -6.693 22.772 -9.702 1.00 0.00 S ATOM 0 H CYS A 94 -2.777 22.346 -10.657 1.00 0.00 H new ATOM 0 HA CYS A 94 -4.411 23.867 -8.746 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -4.764 21.580 -10.504 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -5.151 21.132 -8.855 1.00 0.00 H new ATOM 1185 N ILE A 95 -3.414 23.006 -6.668 1.00 0.00 N ATOM 1186 CA ILE A 95 -2.821 22.546 -5.419 1.00 0.00 C ATOM 1187 C ILE A 95 -3.873 22.450 -4.318 1.00 0.00 C ATOM 1188 O ILE A 95 -5.073 22.465 -4.594 1.00 0.00 O ATOM 1189 CB ILE A 95 -1.685 23.484 -4.957 1.00 0.00 C ATOM 1190 CG1 ILE A 95 -1.151 24.309 -6.135 1.00 0.00 C ATOM 1191 CG2 ILE A 95 -0.564 22.684 -4.308 1.00 0.00 C ATOM 1192 CD1 ILE A 95 -0.350 23.502 -7.138 1.00 0.00 C ATOM 0 H ILE A 95 -3.913 23.893 -6.596 1.00 0.00 H new ATOM 0 HA ILE A 95 -2.406 21.556 -5.607 1.00 0.00 H new ATOM 0 HB ILE A 95 -2.089 24.173 -4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.991 24.777 -6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.525 25.113 -5.748 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.228 23.361 -3.988 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.954 22.147 -3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.163 21.970 -5.027 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -0.007 24.156 -7.940 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.511 23.055 -6.641 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -0.977 22.714 -7.555 1.00 0.00 H new ATOM 1204 N GLY A 96 -3.419 22.351 -3.072 1.00 0.00 N ATOM 1205 CA GLY A 96 -4.339 22.253 -1.954 1.00 0.00 C ATOM 1206 C GLY A 96 -3.633 22.317 -0.616 1.00 0.00 C ATOM 1207 O GLY A 96 -3.980 23.133 0.238 1.00 0.00 O ATOM 0 H GLY A 96 -2.431 22.337 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.068 23.061 -2.016 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -4.893 21.317 -2.024 1.00 0.00 H new ATOM 1211 N ALA A 97 -2.641 21.454 -0.437 1.00 0.00 N ATOM 1212 CA ALA A 97 -1.876 21.405 0.804 1.00 0.00 C ATOM 1213 C ALA A 97 -2.794 21.216 2.008 1.00 0.00 C ATOM 1214 O ALA A 97 -2.720 21.964 2.983 1.00 0.00 O ATOM 1215 CB ALA A 97 -1.044 22.670 0.961 1.00 0.00 C ATOM 0 H ALA A 97 -2.346 20.775 -1.139 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.205 20.547 0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.478 22.620 1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.355 22.759 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.703 23.538 0.983 1.00 0.00 H new ATOM 1221 N GLY A 98 -3.660 20.210 1.930 1.00 0.00 N ATOM 1222 CA GLY A 98 -4.581 19.937 3.016 1.00 0.00 C ATOM 1223 C GLY A 98 -5.620 21.029 3.186 1.00 0.00 C ATOM 1224 O GLY A 98 -6.328 21.070 4.193 1.00 0.00 O ATOM 0 H GLY A 98 -3.739 19.579 1.133 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -5.084 18.988 2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.020 19.826 3.944 1.00 0.00 H new ATOM 1228 N ARG A 99 -5.713 21.914 2.198 1.00 0.00 N ATOM 1229 CA ARG A 99 -6.673 23.011 2.241 1.00 0.00 C ATOM 1230 C ARG A 99 -7.456 23.100 0.938 1.00 0.00 C ATOM 1231 O ARG A 99 -8.601 22.652 0.858 1.00 0.00 O ATOM 1232 CB ARG A 99 -5.957 24.336 2.515 1.00 0.00 C ATOM 1233 CG ARG A 99 -5.076 24.309 3.753 1.00 0.00 C ATOM 1234 CD ARG A 99 -4.361 25.634 3.958 1.00 0.00 C ATOM 1235 NE ARG A 99 -3.696 26.092 2.741 1.00 0.00 N ATOM 1236 CZ ARG A 99 -2.437 25.793 2.432 1.00 0.00 C ATOM 1237 NH1 ARG A 99 -1.711 25.040 3.248 1.00 0.00 N ATOM 1238 NH2 ARG A 99 -1.904 26.249 1.306 1.00 0.00 N ATOM 0 H ARG A 99 -5.135 21.893 1.358 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.375 22.814 3.051 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.346 24.594 1.650 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.701 25.125 2.626 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -5.685 24.084 4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -4.342 23.509 3.661 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.079 26.387 4.284 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -3.625 25.529 4.755 1.00 0.00 H new ATOM 0 HE ARG A 99 -4.226 26.673 2.092 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -2.118 24.689 4.115 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.746 24.812 3.008 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.459 26.829 0.677 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -0.939 26.020 1.069 1.00 0.00 H new ATOM 1252 N GLY A 100 -6.834 23.679 -0.082 1.00 0.00 N ATOM 1253 CA GLY A 100 -7.490 23.812 -1.367 1.00 0.00 C ATOM 1254 C GLY A 100 -7.194 25.138 -2.038 1.00 0.00 C ATOM 1255 O GLY A 100 -8.046 26.026 -2.073 1.00 0.00 O ATOM 0 H GLY A 100 -5.888 24.058 -0.041 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.171 22.999 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.567 23.709 -1.233 1.00 0.00 H new ATOM 1259 N ARG A 101 -5.984 25.273 -2.572 1.00 0.00 N ATOM 1260 CA ARG A 101 -5.581 26.503 -3.244 1.00 0.00 C ATOM 1261 C ARG A 101 -5.274 26.246 -4.717 1.00 0.00 C ATOM 1262 O ARG A 101 -5.092 25.102 -5.134 1.00 0.00 O ATOM 1263 CB ARG A 101 -4.359 27.114 -2.552 1.00 0.00 C ATOM 1264 CG ARG A 101 -3.047 26.429 -2.901 1.00 0.00 C ATOM 1265 CD ARG A 101 -2.152 27.332 -3.736 1.00 0.00 C ATOM 1266 NE ARG A 101 -1.684 28.490 -2.980 1.00 0.00 N ATOM 1267 CZ ARG A 101 -0.436 28.629 -2.540 1.00 0.00 C ATOM 1268 NH1 ARG A 101 0.463 27.682 -2.776 1.00 0.00 N ATOM 1269 NH2 ARG A 101 -0.087 29.714 -1.863 1.00 0.00 N ATOM 0 H ARG A 101 -5.267 24.548 -2.552 1.00 0.00 H new ATOM 0 HA ARG A 101 -6.411 27.207 -3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.290 28.168 -2.821 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.505 27.070 -1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -2.528 26.147 -1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -3.250 25.509 -3.449 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.294 26.762 -4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -2.699 27.671 -4.616 1.00 0.00 H new ATOM 0 HE ARG A 101 -2.351 29.234 -2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.198 26.845 -3.296 1.00 0.00 H new ATOM 0 HH12 ARG A 101 1.419 27.791 -2.438 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.776 30.444 -1.679 1.00 0.00 H new ATOM 0 HH22 ARG A 101 0.870 29.819 -1.526 1.00 0.00 H new ATOM 1283 N ILE A 102 -5.216 27.320 -5.497 1.00 0.00 N ATOM 1284 CA ILE A 102 -4.928 27.220 -6.923 1.00 0.00 C ATOM 1285 C ILE A 102 -3.811 28.180 -7.315 1.00 0.00 C ATOM 1286 O ILE A 102 -3.983 29.399 -7.269 1.00 0.00 O ATOM 1287 CB ILE A 102 -6.174 27.532 -7.775 1.00 0.00 C ATOM 1288 CG1 ILE A 102 -7.424 26.919 -7.141 1.00 0.00 C ATOM 1289 CG2 ILE A 102 -5.986 27.017 -9.194 1.00 0.00 C ATOM 1290 CD1 ILE A 102 -8.711 27.589 -7.569 1.00 0.00 C ATOM 0 H ILE A 102 -5.365 28.273 -5.164 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.617 26.193 -7.114 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.306 28.613 -7.815 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -7.471 25.861 -7.400 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.337 26.978 -6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.874 27.244 -9.784 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.118 27.499 -9.644 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.831 25.938 -9.172 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -9.555 27.102 -7.080 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -8.685 28.641 -7.285 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.822 27.507 -8.650 1.00 0.00 H new ATOM 1302 N SER A 103 -2.666 27.627 -7.695 1.00 0.00 N ATOM 1303 CA SER A 103 -1.521 28.437 -8.092 1.00 0.00 C ATOM 1304 C SER A 103 -1.601 28.793 -9.571 1.00 0.00 C ATOM 1305 O SER A 103 -1.860 27.934 -10.410 1.00 0.00 O ATOM 1306 CB SER A 103 -0.218 27.688 -7.806 1.00 0.00 C ATOM 1307 OG SER A 103 0.879 28.307 -8.456 1.00 0.00 O ATOM 0 H SER A 103 -2.505 26.621 -7.737 1.00 0.00 H new ATOM 0 HA SER A 103 -1.537 29.359 -7.511 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.039 27.660 -6.731 1.00 0.00 H new ATOM 0 HB3 SER A 103 -0.308 26.655 -8.141 1.00 0.00 H new ATOM 0 HG SER A 103 1.700 27.811 -8.256 1.00 0.00 H new ATOM 1313 N CYS A 104 -1.384 30.065 -9.883 1.00 0.00 N ATOM 1314 CA CYS A 104 -1.436 30.527 -11.264 1.00 0.00 C ATOM 1315 C CYS A 104 -0.104 31.139 -11.682 1.00 0.00 C ATOM 1316 O CYS A 104 0.333 32.143 -11.120 1.00 0.00 O ATOM 1317 CB CYS A 104 -2.562 31.545 -11.445 1.00 0.00 C ATOM 1318 SG CYS A 104 -4.060 30.864 -12.227 1.00 0.00 S ATOM 0 H CYS A 104 -1.171 30.793 -9.201 1.00 0.00 H new ATOM 0 HA CYS A 104 -1.635 29.665 -11.901 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.828 31.954 -10.470 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -2.194 32.374 -12.049 1.00 0.00 H new ATOM 1323 N THR A 105 0.534 30.524 -12.670 1.00 0.00 N ATOM 1324 CA THR A 105 1.817 31.001 -13.168 1.00 0.00 C ATOM 1325 C THR A 105 1.739 31.310 -14.656 1.00 0.00 C ATOM 1326 O THR A 105 0.951 30.706 -15.386 1.00 0.00 O ATOM 1327 CB THR A 105 2.930 29.964 -12.924 1.00 0.00 C ATOM 1328 OG1 THR A 105 2.866 29.483 -11.578 1.00 0.00 O ATOM 1329 CG2 THR A 105 4.304 30.561 -13.192 1.00 0.00 C ATOM 0 H THR A 105 0.182 29.692 -13.143 1.00 0.00 H new ATOM 0 HA THR A 105 2.057 31.913 -12.622 1.00 0.00 H new ATOM 0 HB THR A 105 2.776 29.134 -13.614 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.555 28.800 -11.442 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.070 29.807 -13.012 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.360 30.895 -14.228 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.468 31.410 -12.528 1.00 0.00 H new ATOM 1337 N ILE A 106 2.559 32.254 -15.101 1.00 0.00 N ATOM 1338 CA ILE A 106 2.584 32.646 -16.501 1.00 0.00 C ATOM 1339 C ILE A 106 3.490 31.715 -17.295 1.00 0.00 C ATOM 1340 O ILE A 106 4.434 31.144 -16.753 1.00 0.00 O ATOM 1341 CB ILE A 106 3.053 34.115 -16.658 1.00 0.00 C ATOM 1342 CG1 ILE A 106 1.960 34.960 -17.302 1.00 0.00 C ATOM 1343 CG2 ILE A 106 4.327 34.221 -17.474 1.00 0.00 C ATOM 1344 CD1 ILE A 106 1.567 34.501 -18.690 1.00 0.00 C ATOM 0 H ILE A 106 3.216 32.762 -14.509 1.00 0.00 H new ATOM 0 HA ILE A 106 1.570 32.569 -16.893 1.00 0.00 H new ATOM 0 HB ILE A 106 3.262 34.492 -15.657 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.078 34.945 -16.662 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.298 35.995 -17.354 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.619 35.268 -17.558 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.122 33.661 -16.982 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.157 33.810 -18.469 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.785 35.152 -19.081 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.436 34.543 -19.347 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.197 33.477 -18.643 1.00 0.00 H new ATOM 1356 N ALA A 107 3.195 31.560 -18.579 1.00 0.00 N ATOM 1357 CA ALA A 107 3.989 30.694 -19.436 1.00 0.00 C ATOM 1358 C ALA A 107 3.714 30.974 -20.903 1.00 0.00 C ATOM 1359 O ALA A 107 3.155 30.144 -21.620 1.00 0.00 O ATOM 1360 CB ALA A 107 3.719 29.242 -19.109 1.00 0.00 C ATOM 0 H ALA A 107 2.415 32.021 -19.047 1.00 0.00 H new ATOM 0 HA ALA A 107 5.042 30.903 -19.249 1.00 0.00 H new ATOM 0 HB1 ALA A 107 4.320 28.605 -19.758 1.00 0.00 H new ATOM 0 HB2 ALA A 107 3.980 29.049 -18.068 1.00 0.00 H new ATOM 0 HB3 ALA A 107 2.662 29.024 -19.265 1.00 0.00 H new ATOM 1366 N ASN A 108 4.116 32.155 -21.333 1.00 0.00 N ATOM 1367 CA ASN A 108 3.927 32.580 -22.714 1.00 0.00 C ATOM 1368 C ASN A 108 4.840 31.800 -23.654 1.00 0.00 C ATOM 1369 O ASN A 108 6.064 31.906 -23.577 1.00 0.00 O ATOM 1370 CB ASN A 108 4.199 34.080 -22.849 1.00 0.00 C ATOM 1371 CG ASN A 108 3.891 34.600 -24.239 1.00 0.00 C ATOM 1372 OD1 ASN A 108 2.787 34.417 -24.751 1.00 0.00 O ATOM 1373 ND2 ASN A 108 4.868 35.254 -24.856 1.00 0.00 N ATOM 0 H ASN A 108 4.580 32.845 -20.742 1.00 0.00 H new ATOM 0 HA ASN A 108 2.892 32.378 -22.992 1.00 0.00 H new ATOM 0 HB2 ASN A 108 3.598 34.623 -22.120 1.00 0.00 H new ATOM 0 HB3 ASN A 108 5.244 34.280 -22.613 1.00 0.00 H new ATOM 0 HD21 ASN A 108 4.719 35.628 -25.793 1.00 0.00 H new ATOM 0 HD22 ASN A 108 5.768 35.382 -24.393 1.00 0.00 H new ATOM 1380 N ARG A 109 4.235 31.017 -24.542 1.00 0.00 N ATOM 1381 CA ARG A 109 4.994 30.219 -25.499 1.00 0.00 C ATOM 1382 C ARG A 109 5.601 31.101 -26.584 1.00 0.00 C ATOM 1383 O ARG A 109 4.975 32.124 -26.934 1.00 0.00 O ATOM 1384 CB ARG A 109 4.094 29.156 -26.134 1.00 0.00 C ATOM 1385 CG ARG A 109 4.575 27.734 -25.900 1.00 0.00 C ATOM 1386 CD ARG A 109 4.421 26.881 -27.148 1.00 0.00 C ATOM 1387 NE ARG A 109 4.437 25.453 -26.843 1.00 0.00 N ATOM 1388 CZ ARG A 109 4.886 24.525 -27.680 1.00 0.00 C ATOM 1389 NH1 ARG A 109 5.357 24.871 -28.871 1.00 0.00 N ATOM 1390 NH2 ARG A 109 4.867 23.247 -27.327 1.00 0.00 N ATOM 1391 OXT ARG A 109 6.700 30.764 -27.074 1.00 0.00 O ATOM 0 H ARG A 109 3.223 30.918 -24.619 1.00 0.00 H new ATOM 0 HA ARG A 109 5.805 29.727 -24.962 1.00 0.00 H new ATOM 0 HB2 ARG A 109 3.085 29.260 -25.734 1.00 0.00 H new ATOM 0 HB3 ARG A 109 4.032 29.338 -27.207 1.00 0.00 H new ATOM 0 HG2 ARG A 109 5.621 27.748 -25.595 1.00 0.00 H new ATOM 0 HG3 ARG A 109 4.010 27.288 -25.081 1.00 0.00 H new ATOM 0 HD2 ARG A 109 3.485 27.134 -27.646 1.00 0.00 H new ATOM 0 HD3 ARG A 109 5.226 27.111 -27.846 1.00 0.00 H new ATOM 0 HE ARG A 109 4.083 25.151 -25.935 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.375 25.853 -29.147 1.00 0.00 H new ATOM 0 HH12 ARG A 109 5.701 24.155 -29.511 1.00 0.00 H new ATOM 0 HH21 ARG A 109 4.507 22.976 -26.412 1.00 0.00 H new ATOM 0 HH22 ARG A 109 5.212 22.535 -27.971 1.00 0.00 H new TER 1405 ARG A 109 ATOM 1406 N SER B 13 8.126 32.589 -17.932 1.00 0.00 N ATOM 1407 CA SER B 13 7.124 32.262 -16.885 1.00 0.00 C ATOM 1408 C SER B 13 7.046 33.365 -15.831 1.00 0.00 C ATOM 1409 O SER B 13 7.963 34.177 -15.701 1.00 0.00 O ATOM 1410 CB SER B 13 7.515 30.934 -16.238 1.00 0.00 C ATOM 1411 OG SER B 13 8.845 30.974 -15.749 1.00 0.00 O ATOM 0 HA SER B 13 6.138 32.180 -17.343 1.00 0.00 H new ATOM 0 HB2 SER B 13 6.831 30.710 -15.420 1.00 0.00 H new ATOM 0 HB3 SER B 13 7.416 30.129 -16.966 1.00 0.00 H new ATOM 0 HG SER B 13 9.394 31.533 -16.338 1.00 0.00 H new ATOM 1416 N THR B 14 5.943 33.394 -15.088 1.00 0.00 N ATOM 1417 CA THR B 14 5.738 34.401 -14.051 1.00 0.00 C ATOM 1418 C THR B 14 4.643 33.966 -13.077 1.00 0.00 C ATOM 1419 O THR B 14 3.453 34.104 -13.358 1.00 0.00 O ATOM 1420 CB THR B 14 5.376 35.769 -14.675 1.00 0.00 C ATOM 1421 OG1 THR B 14 6.566 36.436 -15.112 1.00 0.00 O ATOM 1422 CG2 THR B 14 4.631 36.659 -13.689 1.00 0.00 C ATOM 0 H THR B 14 5.175 32.730 -15.185 1.00 0.00 H new ATOM 0 HA THR B 14 6.673 34.505 -13.501 1.00 0.00 H new ATOM 0 HB THR B 14 4.720 35.580 -15.525 1.00 0.00 H new ATOM 0 HG1 THR B 14 7.234 35.771 -15.381 1.00 0.00 H new ATOM 0 HG21 THR B 14 4.394 37.611 -14.165 1.00 0.00 H new ATOM 0 HG22 THR B 14 3.708 36.168 -13.381 1.00 0.00 H new ATOM 0 HG23 THR B 14 5.257 36.836 -12.814 1.00 0.00 H new ATOM 1430 N THR B 15 5.056 33.431 -11.930 1.00 0.00 N ATOM 1431 CA THR B 15 4.114 32.964 -10.918 1.00 0.00 C ATOM 1432 C THR B 15 3.217 34.093 -10.421 1.00 0.00 C ATOM 1433 O THR B 15 3.510 35.271 -10.625 1.00 0.00 O ATOM 1434 CB THR B 15 4.841 32.334 -9.717 1.00 0.00 C ATOM 1435 OG1 THR B 15 6.256 32.342 -9.939 1.00 0.00 O ATOM 1436 CG2 THR B 15 4.365 30.907 -9.490 1.00 0.00 C ATOM 0 H THR B 15 6.037 33.311 -11.679 1.00 0.00 H new ATOM 0 HA THR B 15 3.497 32.206 -11.399 1.00 0.00 H new ATOM 0 HB THR B 15 4.612 32.924 -8.830 1.00 0.00 H new ATOM 0 HG1 THR B 15 6.710 31.941 -9.169 1.00 0.00 H new ATOM 0 HG21 THR B 15 4.891 30.479 -8.637 1.00 0.00 H new ATOM 0 HG22 THR B 15 3.293 30.908 -9.292 1.00 0.00 H new ATOM 0 HG23 THR B 15 4.569 30.310 -10.379 1.00 0.00 H new ATOM 1444 N GLU B 16 2.120 33.719 -9.767 1.00 0.00 N ATOM 1445 CA GLU B 16 1.171 34.690 -9.237 1.00 0.00 C ATOM 1446 C GLU B 16 0.422 34.119 -8.036 1.00 0.00 C ATOM 1447 O GLU B 16 0.487 34.668 -6.935 1.00 0.00 O ATOM 1448 CB GLU B 16 0.177 35.103 -10.324 1.00 0.00 C ATOM 1449 CG GLU B 16 0.396 36.514 -10.849 1.00 0.00 C ATOM 1450 CD GLU B 16 0.514 37.540 -9.740 1.00 0.00 C ATOM 1451 OE1 GLU B 16 -0.490 37.764 -9.030 1.00 0.00 O ATOM 1452 OE2 GLU B 16 1.608 38.120 -9.581 1.00 0.00 O ATOM 0 H GLU B 16 1.867 32.746 -9.592 1.00 0.00 H new ATOM 0 HA GLU B 16 1.729 35.568 -8.910 1.00 0.00 H new ATOM 0 HB2 GLU B 16 0.248 34.401 -11.155 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -0.835 35.026 -9.927 1.00 0.00 H new ATOM 0 HG2 GLU B 16 1.302 36.535 -11.455 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -0.432 36.786 -11.503 1.00 0.00 H new ATOM 1459 N VAL B 17 -0.289 33.015 -8.260 1.00 0.00 N ATOM 1460 CA VAL B 17 -1.057 32.359 -7.204 1.00 0.00 C ATOM 1461 C VAL B 17 -2.135 33.284 -6.648 1.00 0.00 C ATOM 1462 O VAL B 17 -1.838 34.248 -5.941 1.00 0.00 O ATOM 1463 CB VAL B 17 -0.152 31.886 -6.049 1.00 0.00 C ATOM 1464 CG1 VAL B 17 -0.987 31.383 -4.880 1.00 0.00 C ATOM 1465 CG2 VAL B 17 0.802 30.803 -6.528 1.00 0.00 C ATOM 0 H VAL B 17 -0.349 32.555 -9.168 1.00 0.00 H new ATOM 0 HA VAL B 17 -1.529 31.488 -7.659 1.00 0.00 H new ATOM 0 HB VAL B 17 0.436 32.737 -5.706 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.328 31.054 -4.077 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -1.627 32.187 -4.518 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -1.605 30.547 -5.207 1.00 0.00 H new ATOM 0 HG21 VAL B 17 1.433 30.481 -5.699 1.00 0.00 H new ATOM 0 HG22 VAL B 17 0.230 29.953 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL B 17 1.428 31.197 -7.329 1.00 0.00 H new ATOM 1475 N GLU B 18 -3.388 32.979 -6.966 1.00 0.00 N ATOM 1476 CA GLU B 18 -4.512 33.778 -6.495 1.00 0.00 C ATOM 1477 C GLU B 18 -4.977 33.296 -5.124 1.00 0.00 C ATOM 1478 O GLU B 18 -5.783 33.952 -4.466 1.00 0.00 O ATOM 1479 CB GLU B 18 -5.669 33.708 -7.492 1.00 0.00 C ATOM 1480 CG GLU B 18 -5.578 34.741 -8.603 1.00 0.00 C ATOM 1481 CD GLU B 18 -6.717 34.631 -9.598 1.00 0.00 C ATOM 1482 OE1 GLU B 18 -7.885 34.768 -9.179 1.00 0.00 O ATOM 1483 OE2 GLU B 18 -6.440 34.409 -10.795 1.00 0.00 O ATOM 0 H GLU B 18 -3.651 32.184 -7.548 1.00 0.00 H new ATOM 0 HA GLU B 18 -4.182 34.813 -6.408 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -5.697 32.712 -7.934 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -6.608 33.845 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -5.578 35.740 -8.166 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -4.630 34.622 -9.127 1.00 0.00 H new ATOM 1490 N ASP B 19 -4.457 32.145 -4.703 1.00 0.00 N ATOM 1491 CA ASP B 19 -4.810 31.565 -3.412 1.00 0.00 C ATOM 1492 C ASP B 19 -6.317 31.358 -3.299 1.00 0.00 C ATOM 1493 O ASP B 19 -7.051 32.267 -2.908 1.00 0.00 O ATOM 1494 CB ASP B 19 -4.318 32.459 -2.272 1.00 0.00 C ATOM 1495 CG ASP B 19 -2.904 32.958 -2.495 1.00 0.00 C ATOM 1496 OD1 ASP B 19 -2.737 33.974 -3.202 1.00 0.00 O ATOM 1497 OD2 ASP B 19 -1.962 32.331 -1.963 1.00 0.00 O ATOM 0 H ASP B 19 -3.787 31.595 -5.241 1.00 0.00 H new ATOM 0 HA ASP B 19 -4.323 30.593 -3.336 1.00 0.00 H new ATOM 0 HB2 ASP B 19 -4.989 33.312 -2.168 1.00 0.00 H new ATOM 0 HB3 ASP B 19 -4.360 31.904 -1.335 1.00 0.00 H new ATOM 1502 N SER B 20 -6.773 30.158 -3.645 1.00 0.00 N ATOM 1503 CA SER B 20 -8.196 29.833 -3.585 1.00 0.00 C ATOM 1504 C SER B 20 -8.737 30.000 -2.168 1.00 0.00 C ATOM 1505 O SER B 20 -9.304 31.039 -1.830 1.00 0.00 O ATOM 1506 CB SER B 20 -8.435 28.402 -4.072 1.00 0.00 C ATOM 1507 OG SER B 20 -9.819 28.104 -4.120 1.00 0.00 O ATOM 0 H SER B 20 -6.179 29.395 -3.970 1.00 0.00 H new ATOM 0 HA SER B 20 -8.728 30.525 -4.238 1.00 0.00 H new ATOM 0 HB2 SER B 20 -7.998 28.274 -5.062 1.00 0.00 H new ATOM 0 HB3 SER B 20 -7.931 27.700 -3.408 1.00 0.00 H new ATOM 0 HG SER B 20 -9.945 27.185 -4.436 1.00 0.00 H new ATOM 1513 N LYS B 21 -8.562 28.971 -1.343 1.00 0.00 N ATOM 1514 CA LYS B 21 -9.039 29.008 0.035 1.00 0.00 C ATOM 1515 C LYS B 21 -7.976 28.477 0.997 1.00 0.00 C ATOM 1516 O LYS B 21 -8.109 27.377 1.535 1.00 0.00 O ATOM 1517 CB LYS B 21 -10.325 28.189 0.175 1.00 0.00 C ATOM 1518 CG LYS B 21 -11.376 28.520 -0.872 1.00 0.00 C ATOM 1519 CD LYS B 21 -12.045 27.264 -1.404 1.00 0.00 C ATOM 1520 CE LYS B 21 -13.560 27.353 -1.299 1.00 0.00 C ATOM 1521 NZ LYS B 21 -14.183 27.763 -2.587 1.00 0.00 N ATOM 0 H LYS B 21 -8.094 28.103 -1.605 1.00 0.00 H new ATOM 0 HA LYS B 21 -9.248 30.047 0.291 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -10.080 27.129 0.108 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -10.746 28.357 1.166 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -12.128 29.179 -0.438 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -10.913 29.064 -1.695 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -11.760 27.111 -2.445 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -11.691 26.397 -0.846 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -13.960 26.386 -0.994 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -13.829 28.069 -0.522 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -15.216 27.812 -2.473 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -13.821 28.697 -2.866 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -13.948 27.067 -3.323 1.00 0.00 H new ATOM 1535 N PRO B 22 -6.904 29.256 1.229 1.00 0.00 N ATOM 1536 CA PRO B 22 -5.817 28.860 2.132 1.00 0.00 C ATOM 1537 C PRO B 22 -6.284 28.753 3.581 1.00 0.00 C ATOM 1538 O PRO B 22 -7.483 28.774 3.859 1.00 0.00 O ATOM 1539 CB PRO B 22 -4.784 29.988 1.988 1.00 0.00 C ATOM 1540 CG PRO B 22 -5.175 30.726 0.751 1.00 0.00 C ATOM 1541 CD PRO B 22 -6.663 30.578 0.634 1.00 0.00 C ATOM 0 HA PRO B 22 -5.423 27.876 1.879 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -4.795 30.645 2.858 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -3.774 29.588 1.904 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -4.891 31.776 0.817 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -4.672 30.315 -0.124 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -7.192 31.366 1.170 1.00 0.00 H new ATOM 0 HD3 PRO B 22 -6.994 30.621 -0.404 1.00 0.00 H new ATOM 1549 N LYS B 23 -5.329 28.645 4.500 1.00 0.00 N ATOM 1550 CA LYS B 23 -5.644 28.541 5.921 1.00 0.00 C ATOM 1551 C LYS B 23 -6.360 29.796 6.407 1.00 0.00 C ATOM 1552 O LYS B 23 -6.437 30.793 5.690 1.00 0.00 O ATOM 1553 CB LYS B 23 -4.369 28.318 6.735 1.00 0.00 C ATOM 1554 CG LYS B 23 -4.537 27.311 7.860 1.00 0.00 C ATOM 1555 CD LYS B 23 -3.953 25.958 7.488 1.00 0.00 C ATOM 1556 CE LYS B 23 -3.716 25.096 8.717 1.00 0.00 C ATOM 1557 NZ LYS B 23 -4.261 23.722 8.547 1.00 0.00 N ATOM 0 H LYS B 23 -4.332 28.627 4.286 1.00 0.00 H new ATOM 0 HA LYS B 23 -6.306 27.686 6.061 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -3.577 27.977 6.068 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -4.045 29.270 7.155 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -4.048 27.684 8.760 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -5.596 27.199 8.095 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -4.630 25.443 6.807 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -3.013 26.101 6.956 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -2.646 25.039 8.919 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -4.180 25.566 9.584 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -4.078 23.167 9.407 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -5.286 23.773 8.379 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -3.800 23.264 7.735 1.00 0.00 H new ATOM 1571 N LEU B 24 -6.886 29.743 7.627 1.00 0.00 N ATOM 1572 CA LEU B 24 -7.595 30.883 8.197 1.00 0.00 C ATOM 1573 C LEU B 24 -7.700 30.772 9.715 1.00 0.00 C ATOM 1574 O LEU B 24 -7.478 29.707 10.291 1.00 0.00 O ATOM 1575 CB LEU B 24 -8.994 30.992 7.591 1.00 0.00 C ATOM 1576 CG LEU B 24 -9.275 32.304 6.859 1.00 0.00 C ATOM 1577 CD1 LEU B 24 -10.131 32.051 5.630 1.00 0.00 C ATOM 1578 CD2 LEU B 24 -9.950 33.301 7.788 1.00 0.00 C ATOM 0 H LEU B 24 -6.835 28.927 8.237 1.00 0.00 H new ATOM 0 HA LEU B 24 -7.024 31.781 7.959 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -9.139 30.166 6.895 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -9.730 30.871 8.386 1.00 0.00 H new ATOM 0 HG LEU B 24 -8.325 32.730 6.535 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -10.323 32.995 5.119 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -9.608 31.373 4.955 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -11.078 31.603 5.932 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -10.142 34.229 7.249 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -10.893 32.886 8.143 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -9.299 33.504 8.639 1.00 0.00 H new ATOM 1590 N SER B 25 -8.047 31.886 10.351 1.00 0.00 N ATOM 1591 CA SER B 25 -8.196 31.935 11.801 1.00 0.00 C ATOM 1592 C SER B 25 -9.264 32.955 12.183 1.00 0.00 C ATOM 1593 O SER B 25 -9.261 34.081 11.683 1.00 0.00 O ATOM 1594 CB SER B 25 -6.864 32.296 12.464 1.00 0.00 C ATOM 1595 OG SER B 25 -6.531 33.653 12.235 1.00 0.00 O ATOM 0 H SER B 25 -8.231 32.772 9.881 1.00 0.00 H new ATOM 0 HA SER B 25 -8.504 30.950 12.152 1.00 0.00 H new ATOM 0 HB2 SER B 25 -6.926 32.110 13.536 1.00 0.00 H new ATOM 0 HB3 SER B 25 -6.074 31.654 12.074 1.00 0.00 H new ATOM 0 HG SER B 25 -5.677 33.858 12.670 1.00 0.00 H new ATOM 1601 N ILE B 26 -10.182 32.557 13.057 1.00 0.00 N ATOM 1602 CA ILE B 26 -11.258 33.446 13.481 1.00 0.00 C ATOM 1603 C ILE B 26 -11.432 33.449 14.995 1.00 0.00 C ATOM 1604 O ILE B 26 -10.692 32.792 15.727 1.00 0.00 O ATOM 1605 CB ILE B 26 -12.606 33.060 12.838 1.00 0.00 C ATOM 1606 CG1 ILE B 26 -12.390 32.149 11.621 1.00 0.00 C ATOM 1607 CG2 ILE B 26 -13.388 34.311 12.458 1.00 0.00 C ATOM 1608 CD1 ILE B 26 -12.308 32.885 10.300 1.00 0.00 C ATOM 0 H ILE B 26 -10.203 31.631 13.484 1.00 0.00 H new ATOM 0 HA ILE B 26 -10.967 34.443 13.149 1.00 0.00 H new ATOM 0 HB ILE B 26 -13.192 32.502 13.568 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -11.471 31.581 11.765 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -13.206 31.428 11.572 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -14.337 34.023 12.005 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -13.578 34.907 13.351 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -12.810 34.899 11.745 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -12.155 32.168 9.493 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -13.236 33.431 10.129 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -11.474 33.586 10.325 1.00 0.00 H new ATOM 1620 N HIS B 27 -12.433 34.197 15.443 1.00 0.00 N ATOM 1621 CA HIS B 27 -12.760 34.321 16.858 1.00 0.00 C ATOM 1622 C HIS B 27 -14.037 35.140 17.003 1.00 0.00 C ATOM 1623 O HIS B 27 -14.021 36.264 17.507 1.00 0.00 O ATOM 1624 CB HIS B 27 -11.608 34.983 17.618 1.00 0.00 C ATOM 1625 CG HIS B 27 -11.677 34.790 19.101 1.00 0.00 C ATOM 1626 ND1 HIS B 27 -10.701 34.549 20.009 1.00 0.00 N flip ATOM 1627 CD2 HIS B 27 -12.857 34.835 19.813 1.00 0.00 C flip ATOM 1628 CE1 HIS B 27 -11.304 34.455 21.239 1.00 0.00 C flip ATOM 1629 NE2 HIS B 27 -12.605 34.632 21.093 1.00 0.00 N flip ATOM 0 H HIS B 27 -13.044 34.738 14.831 1.00 0.00 H new ATOM 0 HA HIS B 27 -12.916 33.329 17.283 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -10.664 34.580 17.252 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -11.606 36.051 17.399 1.00 0.00 H new ATOM 0 HD1 HIS B 27 -9.704 34.455 19.815 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -13.835 35.009 19.390 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -10.797 34.267 22.174 1.00 0.00 H new ATOM 1638 N PHE B 28 -15.137 34.568 16.524 1.00 0.00 N ATOM 1639 CA PHE B 28 -16.438 35.228 16.554 1.00 0.00 C ATOM 1640 C PHE B 28 -16.805 35.703 17.957 1.00 0.00 C ATOM 1641 O PHE B 28 -16.333 35.157 18.954 1.00 0.00 O ATOM 1642 CB PHE B 28 -17.511 34.284 16.008 1.00 0.00 C ATOM 1643 CG PHE B 28 -17.333 33.968 14.547 1.00 0.00 C ATOM 1644 CD1 PHE B 28 -16.551 32.894 14.141 1.00 0.00 C ATOM 1645 CD2 PHE B 28 -17.939 34.751 13.578 1.00 0.00 C ATOM 1646 CE1 PHE B 28 -16.382 32.610 12.800 1.00 0.00 C ATOM 1647 CE2 PHE B 28 -17.772 34.472 12.235 1.00 0.00 C ATOM 1648 CZ PHE B 28 -16.992 33.400 11.845 1.00 0.00 C ATOM 0 H PHE B 28 -15.152 33.638 16.106 1.00 0.00 H new ATOM 0 HA PHE B 28 -16.379 36.113 15.921 1.00 0.00 H new ATOM 0 HB2 PHE B 28 -17.494 33.356 16.579 1.00 0.00 H new ATOM 0 HB3 PHE B 28 -18.493 34.733 16.159 1.00 0.00 H new ATOM 0 HD1 PHE B 28 -16.070 32.274 14.883 1.00 0.00 H new ATOM 0 HD2 PHE B 28 -18.550 35.590 13.876 1.00 0.00 H new ATOM 0 HE1 PHE B 28 -15.773 31.771 12.498 1.00 0.00 H new ATOM 0 HE2 PHE B 28 -18.251 35.091 11.491 1.00 0.00 H new ATOM 0 HZ PHE B 28 -16.860 33.180 10.796 1.00 0.00 H new ATOM 1658 N ASP B 29 -17.648 36.733 18.019 1.00 0.00 N ATOM 1659 CA ASP B 29 -18.085 37.302 19.290 1.00 0.00 C ATOM 1660 C ASP B 29 -19.583 37.593 19.271 1.00 0.00 C ATOM 1661 O ASP B 29 -20.144 37.925 18.226 1.00 0.00 O ATOM 1662 CB ASP B 29 -17.311 38.587 19.584 1.00 0.00 C ATOM 1663 CG ASP B 29 -17.134 39.451 18.350 1.00 0.00 C ATOM 1664 OD1 ASP B 29 -18.133 40.046 17.895 1.00 0.00 O ATOM 1665 OD2 ASP B 29 -15.997 39.533 17.841 1.00 0.00 O ATOM 0 H ASP B 29 -18.043 37.192 17.198 1.00 0.00 H new ATOM 0 HA ASP B 29 -17.885 36.573 20.075 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -17.836 39.157 20.351 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -16.332 38.333 19.990 1.00 0.00 H new ATOM 1670 N ASN B 30 -20.229 37.470 20.432 1.00 0.00 N ATOM 1671 CA ASN B 30 -21.665 37.724 20.537 1.00 0.00 C ATOM 1672 C ASN B 30 -22.145 37.660 21.987 1.00 0.00 C ATOM 1673 O ASN B 30 -22.733 36.664 22.410 1.00 0.00 O ATOM 1674 CB ASN B 30 -22.443 36.715 19.689 1.00 0.00 C ATOM 1675 CG ASN B 30 -23.698 37.312 19.085 1.00 0.00 C ATOM 1676 OD1 ASN B 30 -23.634 38.077 18.122 1.00 0.00 O ATOM 1677 ND2 ASN B 30 -24.849 36.967 19.650 1.00 0.00 N ATOM 0 H ASN B 30 -19.783 37.198 21.308 1.00 0.00 H new ATOM 0 HA ASN B 30 -21.849 38.732 20.165 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -21.800 36.344 18.891 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -22.713 35.858 20.306 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -25.727 37.339 19.287 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -24.855 36.330 20.447 1.00 0.00 H new ATOM 1684 N GLU B 31 -21.904 38.733 22.739 1.00 0.00 N ATOM 1685 CA GLU B 31 -22.325 38.805 24.138 1.00 0.00 C ATOM 1686 C GLU B 31 -21.808 37.626 24.942 1.00 0.00 C ATOM 1687 O GLU B 31 -22.397 37.262 25.961 1.00 0.00 O ATOM 1688 CB GLU B 31 -23.852 38.868 24.230 1.00 0.00 C ATOM 1689 CG GLU B 31 -24.427 40.225 23.857 1.00 0.00 C ATOM 1690 CD GLU B 31 -25.736 40.116 23.101 1.00 0.00 C ATOM 1691 OE1 GLU B 31 -26.784 39.923 23.753 1.00 0.00 O ATOM 1692 OE2 GLU B 31 -25.714 40.223 21.857 1.00 0.00 O ATOM 0 H GLU B 31 -21.419 39.565 22.403 1.00 0.00 H new ATOM 0 HA GLU B 31 -21.898 39.714 24.562 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -24.279 38.109 23.575 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -24.157 38.620 25.247 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -24.583 40.811 24.763 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -23.704 40.767 23.247 1.00 0.00 H new ATOM 1699 N TRP B 32 -20.701 37.042 24.499 1.00 0.00 N ATOM 1700 CA TRP B 32 -20.121 35.916 25.211 1.00 0.00 C ATOM 1701 C TRP B 32 -18.827 35.413 24.575 1.00 0.00 C ATOM 1702 O TRP B 32 -17.778 35.377 25.219 1.00 0.00 O ATOM 1703 CB TRP B 32 -21.140 34.794 25.343 1.00 0.00 C ATOM 1704 CG TRP B 32 -21.106 34.160 26.684 1.00 0.00 C ATOM 1705 CD1 TRP B 32 -21.399 34.741 27.880 1.00 0.00 C ATOM 1706 CD2 TRP B 32 -20.738 32.821 26.957 1.00 0.00 C ATOM 1707 NE1 TRP B 32 -21.239 33.818 28.894 1.00 0.00 N ATOM 1708 CE2 TRP B 32 -20.832 32.625 28.342 1.00 0.00 C ATOM 1709 CE3 TRP B 32 -20.343 31.770 26.148 1.00 0.00 C ATOM 1710 CZ2 TRP B 32 -20.537 31.395 28.933 1.00 0.00 C ATOM 1711 CZ3 TRP B 32 -20.055 30.562 26.716 1.00 0.00 C ATOM 1712 CH2 TRP B 32 -20.151 30.373 28.101 1.00 0.00 C ATOM 0 H TRP B 32 -20.194 37.327 23.661 1.00 0.00 H new ATOM 0 HA TRP B 32 -19.852 36.270 26.206 1.00 0.00 H new ATOM 0 HB2 TRP B 32 -22.139 35.189 25.155 1.00 0.00 H new ATOM 0 HB3 TRP B 32 -20.947 34.039 24.581 1.00 0.00 H new ATOM 0 HD1 TRP B 32 -21.709 35.767 28.015 1.00 0.00 H new ATOM 0 HE1 TRP B 32 -21.396 33.991 29.887 1.00 0.00 H new ATOM 0 HE3 TRP B 32 -20.263 31.904 25.079 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 -20.609 31.253 30.001 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 -19.748 29.739 26.087 1.00 0.00 H new ATOM 0 HH2 TRP B 32 -19.917 29.406 28.522 1.00 0.00 H new ATOM 1723 N PRO B 33 -18.894 35.028 23.305 1.00 0.00 N ATOM 1724 CA PRO B 33 -17.744 34.527 22.550 1.00 0.00 C ATOM 1725 C PRO B 33 -16.545 35.476 22.620 1.00 0.00 C ATOM 1726 O PRO B 33 -15.440 35.123 22.213 1.00 0.00 O ATOM 1727 CB PRO B 33 -18.272 34.437 21.116 1.00 0.00 C ATOM 1728 CG PRO B 33 -19.754 34.338 21.249 1.00 0.00 C ATOM 1729 CD PRO B 33 -20.118 35.060 22.517 1.00 0.00 C ATOM 0 HA PRO B 33 -17.380 33.578 22.944 1.00 0.00 H new ATOM 0 HB2 PRO B 33 -17.987 35.315 20.536 1.00 0.00 H new ATOM 0 HB3 PRO B 33 -17.864 33.568 20.600 1.00 0.00 H new ATOM 0 HG2 PRO B 33 -20.252 34.788 20.390 1.00 0.00 H new ATOM 0 HG3 PRO B 33 -20.071 33.296 21.291 1.00 0.00 H new ATOM 0 HD2 PRO B 33 -20.437 36.083 22.316 1.00 0.00 H new ATOM 0 HD3 PRO B 33 -20.940 34.566 23.036 1.00 0.00 H new ATOM 1737 N LYS B 34 -16.775 36.678 23.144 1.00 0.00 N ATOM 1738 CA LYS B 34 -15.718 37.678 23.273 1.00 0.00 C ATOM 1739 C LYS B 34 -15.260 37.802 24.723 1.00 0.00 C ATOM 1740 O LYS B 34 -15.466 36.896 25.530 1.00 0.00 O ATOM 1741 CB LYS B 34 -16.210 39.035 22.767 1.00 0.00 C ATOM 1742 CG LYS B 34 -17.502 39.496 23.421 1.00 0.00 C ATOM 1743 CD LYS B 34 -18.259 40.473 22.536 1.00 0.00 C ATOM 1744 CE LYS B 34 -19.523 40.974 23.214 1.00 0.00 C ATOM 1745 NZ LYS B 34 -20.165 42.077 22.446 1.00 0.00 N ATOM 0 H LYS B 34 -17.686 36.983 23.487 1.00 0.00 H new ATOM 0 HA LYS B 34 -14.870 37.355 22.669 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -15.436 39.782 22.944 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -16.358 38.979 21.689 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -18.132 38.632 23.632 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -17.278 39.969 24.377 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -17.616 41.319 22.293 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -18.518 39.988 21.595 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -20.228 40.150 23.323 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -19.282 41.323 24.218 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -21.024 42.391 22.941 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -19.502 42.874 22.363 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -20.418 41.737 21.496 1.00 0.00 H new ATOM 1759 N GLU B 35 -14.639 38.936 25.040 1.00 0.00 N ATOM 1760 CA GLU B 35 -14.146 39.200 26.391 1.00 0.00 C ATOM 1761 C GLU B 35 -13.058 38.207 26.785 1.00 0.00 C ATOM 1762 O GLU B 35 -12.695 37.325 26.007 1.00 0.00 O ATOM 1763 CB GLU B 35 -15.295 39.145 27.401 1.00 0.00 C ATOM 1764 CG GLU B 35 -16.446 40.079 27.064 1.00 0.00 C ATOM 1765 CD GLU B 35 -17.795 39.388 27.120 1.00 0.00 C ATOM 1766 OE1 GLU B 35 -17.878 38.215 26.697 1.00 0.00 O ATOM 1767 OE2 GLU B 35 -18.767 40.018 27.585 1.00 0.00 O ATOM 0 H GLU B 35 -14.464 39.691 24.376 1.00 0.00 H new ATOM 0 HA GLU B 35 -13.714 40.201 26.398 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -15.671 38.123 27.456 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -14.911 39.397 28.390 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -16.443 40.918 27.759 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -16.294 40.491 26.066 1.00 0.00 H new ATOM 1774 N ASP B 36 -12.539 38.360 28.000 1.00 0.00 N ATOM 1775 CA ASP B 36 -11.489 37.481 28.502 1.00 0.00 C ATOM 1776 C ASP B 36 -11.979 36.683 29.706 1.00 0.00 C ATOM 1777 O ASP B 36 -12.885 37.174 30.412 1.00 0.00 O ATOM 1778 CB ASP B 36 -10.253 38.296 28.884 1.00 0.00 C ATOM 1779 CG ASP B 36 -9.090 37.421 29.308 1.00 0.00 C ATOM 1780 OD1 ASP B 36 -8.992 37.104 30.513 1.00 0.00 O ATOM 1781 OD2 ASP B 36 -8.277 37.051 28.436 1.00 0.00 O ATOM 1782 OXT ASP B 36 -11.451 35.574 29.935 1.00 0.00 O ATOM 0 H ASP B 36 -12.829 39.086 28.655 1.00 0.00 H new ATOM 0 HA ASP B 36 -11.223 36.782 27.709 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -9.951 38.911 28.036 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -10.507 38.976 29.697 1.00 0.00 H new TER 1787 ASP B 36