USER MOD reduce.3.24.130724 H: found=0, std=0, add=1160, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1162 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 148 GLN : amide:sc= 1.05 K(o=2.3,f=-5.2) USER MOD Set 1.2: A 151 LYS NZ :NH3+ -114:sc= 1.23 (180deg=0) USER MOD Set 2.1: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 92 SER OG : rot 180:sc= -0.0347 USER MOD Set 3.1: A 15 THR OG1 : rot -67:sc= 0.426 USER MOD Set 3.2: A 117 THR OG1 : rot 177:sc= 0.382 USER MOD Single : A 5 LYS NZ :NH3+ 165:sc= 0.984 (180deg=0.83) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 0.254 K(o=0.25,f=-4.5!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 39:sc= 0.43 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 163:sc= 1.21 (180deg=0.774) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 82:sc= 0.984 USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0.813 (180deg=0.789) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.586 F(o=-1.2,f=-0.59) USER MOD Single : A 38 HIS : no HD1:sc= 0.125 K(o=0.16,f=-1.4) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 43 SER OG : rot 99:sc= -0.611 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot -155:sc= 0.208 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.106 USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0.829 (180deg=0.737) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 59:sc= 0.0319 USER MOD Single : A 62 GLN :FLIP amide:sc= -0.104 F(o=-1.2,f=-0.1) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 66 MET CE :methyl -140:sc= -0.182 (180deg=-0.746) USER MOD Single : A 68 SER OG : rot -178:sc= -0.623 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 97:sc= 0.247 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -164:sc= 0.364 (180deg=0.277) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0844 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -117:sc= -0.631 (180deg=-0.873) USER MOD Single : A 103 MET CE :methyl 171:sc= -2.4 (180deg=-2.43) USER MOD Single : A 104 HIS : no HD1:sc= 0.403 K(o=0.4,f=-1.5) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.435 USER MOD Single : A 108 ASN :FLIP amide:sc=-0.00632 F(o=-0.66,f=-0.0063) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 94:sc= 0.634 USER MOD Single : A 119 THR OG1 : rot 173:sc= -1.12 USER MOD Single : A 120 SER OG : rot 28:sc= -0.576 USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 THR OG1 : rot 180:sc= -0.786 USER MOD Single : A 126 THR OG1 : rot -24:sc= 0.77 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0.16 X(o=0.16,f=0) USER MOD Single : A 132 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 136 MET CE :methyl 163:sc= -0.137 (180deg=-0.561) USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 MET CE :methyl 161:sc= 0 (180deg=-0.447) USER MOD Single : A 143 ASN : amide:sc= -0.277 X(o=-0.28,f=0.0034) USER MOD Single : A 144 SER OG : rot 77:sc= 0.834 USER MOD Single : A 145 THR OG1 : rot 73:sc= 0.823 USER MOD Single : A 147 ASN :FLIP amide:sc= 0.38 F(o=-2.8!,f=0.38) USER MOD Single : A 154 ASN :FLIP amide:sc= -0.0161 F(o=-1.8,f=-0.016) USER MOD Single : A 155 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.55) USER MOD ----------------------------------------------------------------- ATOM 34 N ILE A 3 4.745 -16.214 -2.573 1.00 22.21 N ATOM 35 CA ILE A 3 5.158 -15.050 -3.419 1.00 15.41 C ATOM 36 C ILE A 3 6.672 -15.065 -3.757 1.00 44.22 C ATOM 37 O ILE A 3 7.444 -15.845 -3.185 1.00 53.41 O ATOM 38 CB ILE A 3 4.768 -13.680 -2.755 1.00 21.31 C ATOM 39 CG1 ILE A 3 5.349 -13.568 -1.308 1.00 73.52 C ATOM 40 CG2 ILE A 3 3.236 -13.475 -2.795 1.00 14.41 C ATOM 41 CD1 ILE A 3 4.950 -12.320 -0.545 1.00 71.24 C ATOM 0 HA ILE A 3 4.609 -15.153 -4.355 1.00 15.41 H new ATOM 0 HB ILE A 3 5.217 -12.872 -3.333 1.00 21.31 H new ATOM 0 HG12 ILE A 3 5.030 -14.440 -0.738 1.00 73.52 H new ATOM 0 HG13 ILE A 3 6.437 -13.606 -1.367 1.00 73.52 H new ATOM 0 HG21 ILE A 3 2.984 -12.521 -2.331 1.00 14.41 H new ATOM 0 HG22 ILE A 3 2.896 -13.476 -3.831 1.00 14.41 H new ATOM 0 HG23 ILE A 3 2.746 -14.283 -2.252 1.00 14.41 H new ATOM 0 HD11 ILE A 3 5.404 -12.338 0.446 1.00 71.24 H new ATOM 0 HD12 ILE A 3 5.293 -11.438 -1.085 1.00 71.24 H new ATOM 0 HD13 ILE A 3 3.865 -12.285 -0.446 1.00 71.24 H new ATOM 53 N GLU A 4 7.088 -14.177 -4.685 1.00 21.51 N ATOM 54 CA GLU A 4 8.485 -14.129 -5.187 1.00 34.04 C ATOM 55 C GLU A 4 9.343 -13.117 -4.395 1.00 52.52 C ATOM 56 O GLU A 4 8.980 -11.955 -4.261 1.00 64.15 O ATOM 57 CB GLU A 4 8.515 -13.767 -6.703 1.00 72.42 C ATOM 58 CG GLU A 4 9.933 -13.635 -7.319 1.00 1.12 C ATOM 59 CD GLU A 4 10.775 -14.926 -7.220 1.00 3.20 C ATOM 60 OE1 GLU A 4 10.691 -15.776 -8.133 1.00 60.23 O ATOM 61 OE2 GLU A 4 11.530 -15.102 -6.229 1.00 51.03 O ATOM 0 H GLU A 4 6.475 -13.479 -5.106 1.00 21.51 H new ATOM 0 HA GLU A 4 8.910 -15.122 -5.045 1.00 34.04 H new ATOM 0 HB2 GLU A 4 7.966 -14.530 -7.254 1.00 72.42 H new ATOM 0 HB3 GLU A 4 7.984 -12.826 -6.847 1.00 72.42 H new ATOM 0 HG2 GLU A 4 9.839 -13.352 -8.368 1.00 1.12 H new ATOM 0 HG3 GLU A 4 10.464 -12.826 -6.817 1.00 1.12 H new ATOM 68 N LYS A 5 10.493 -13.586 -3.879 1.00 35.50 N ATOM 69 CA LYS A 5 11.468 -12.749 -3.155 1.00 22.22 C ATOM 70 C LYS A 5 12.804 -12.675 -3.937 1.00 62.11 C ATOM 71 O LYS A 5 13.483 -13.693 -4.109 1.00 23.33 O ATOM 72 CB LYS A 5 11.712 -13.285 -1.709 1.00 31.43 C ATOM 73 CG LYS A 5 10.521 -13.097 -0.731 1.00 11.34 C ATOM 74 CD LYS A 5 9.360 -14.108 -0.910 1.00 4.04 C ATOM 75 CE LYS A 5 9.752 -15.542 -0.510 1.00 54.01 C ATOM 76 NZ LYS A 5 8.610 -16.476 -0.626 1.00 53.43 N ATOM 0 H LYS A 5 10.774 -14.564 -3.953 1.00 35.50 H new ATOM 0 HA LYS A 5 11.052 -11.745 -3.074 1.00 22.22 H new ATOM 0 HB2 LYS A 5 11.951 -14.347 -1.767 1.00 31.43 H new ATOM 0 HB3 LYS A 5 12.586 -12.783 -1.294 1.00 31.43 H new ATOM 0 HG2 LYS A 5 10.894 -13.172 0.290 1.00 11.34 H new ATOM 0 HG3 LYS A 5 10.126 -12.088 -0.853 1.00 11.34 H new ATOM 0 HD2 LYS A 5 8.509 -13.788 -0.309 1.00 4.04 H new ATOM 0 HD3 LYS A 5 9.036 -14.102 -1.951 1.00 4.04 H new ATOM 0 HE2 LYS A 5 10.569 -15.886 -1.144 1.00 54.01 H new ATOM 0 HE3 LYS A 5 10.122 -15.545 0.515 1.00 54.01 H new ATOM 0 HZ1 LYS A 5 8.958 -17.456 -0.599 1.00 53.43 H new ATOM 0 HZ2 LYS A 5 7.953 -16.320 0.165 1.00 53.43 H new ATOM 0 HZ3 LYS A 5 8.115 -16.309 -1.525 1.00 53.43 H new ATOM 90 N LYS A 6 13.157 -11.465 -4.422 1.00 42.14 N ATOM 91 CA LYS A 6 14.438 -11.204 -5.131 1.00 12.04 C ATOM 92 C LYS A 6 15.422 -10.434 -4.211 1.00 34.52 C ATOM 93 O LYS A 6 15.482 -9.201 -4.252 1.00 52.01 O ATOM 94 CB LYS A 6 14.191 -10.411 -6.449 1.00 64.31 C ATOM 95 CG LYS A 6 13.161 -11.049 -7.406 1.00 2.22 C ATOM 96 CD LYS A 6 13.137 -10.378 -8.801 1.00 64.12 C ATOM 97 CE LYS A 6 12.156 -11.060 -9.770 1.00 23.33 C ATOM 98 NZ LYS A 6 12.204 -10.454 -11.127 1.00 22.12 N ATOM 0 H LYS A 6 12.565 -10.639 -4.335 1.00 42.14 H new ATOM 0 HA LYS A 6 14.884 -12.164 -5.390 1.00 12.04 H new ATOM 0 HB2 LYS A 6 13.855 -9.406 -6.194 1.00 64.31 H new ATOM 0 HB3 LYS A 6 15.139 -10.306 -6.976 1.00 64.31 H new ATOM 0 HG2 LYS A 6 13.389 -12.109 -7.522 1.00 2.22 H new ATOM 0 HG3 LYS A 6 12.169 -10.983 -6.960 1.00 2.22 H new ATOM 0 HD2 LYS A 6 12.862 -9.329 -8.691 1.00 64.12 H new ATOM 0 HD3 LYS A 6 14.139 -10.402 -9.229 1.00 64.12 H new ATOM 0 HE2 LYS A 6 12.393 -12.122 -9.838 1.00 23.33 H new ATOM 0 HE3 LYS A 6 11.143 -10.984 -9.374 1.00 23.33 H new ATOM 0 HZ1 LYS A 6 11.528 -10.942 -11.749 1.00 22.12 H new ATOM 0 HZ2 LYS A 6 11.953 -9.446 -11.066 1.00 22.12 H new ATOM 0 HZ3 LYS A 6 13.164 -10.549 -11.516 1.00 22.12 H new ATOM 112 N LYS A 7 16.165 -11.189 -3.369 1.00 41.35 N ATOM 113 CA LYS A 7 17.150 -10.649 -2.384 1.00 72.54 C ATOM 114 C LYS A 7 16.498 -9.673 -1.359 1.00 74.51 C ATOM 115 O LYS A 7 16.139 -10.069 -0.243 1.00 20.44 O ATOM 116 CB LYS A 7 18.369 -9.973 -3.095 1.00 52.41 C ATOM 117 CG LYS A 7 19.216 -10.916 -3.980 1.00 41.12 C ATOM 118 CD LYS A 7 20.390 -10.182 -4.682 1.00 61.41 C ATOM 119 CE LYS A 7 21.370 -9.519 -3.690 1.00 34.35 C ATOM 120 NZ LYS A 7 22.498 -8.825 -4.372 1.00 2.12 N ATOM 0 H LYS A 7 16.101 -12.207 -3.349 1.00 41.35 H new ATOM 0 HA LYS A 7 17.518 -11.508 -1.822 1.00 72.54 H new ATOM 0 HB2 LYS A 7 18.001 -9.153 -3.712 1.00 52.41 H new ATOM 0 HB3 LYS A 7 19.016 -9.534 -2.335 1.00 52.41 H new ATOM 0 HG2 LYS A 7 19.613 -11.725 -3.366 1.00 41.12 H new ATOM 0 HG3 LYS A 7 18.575 -11.373 -4.734 1.00 41.12 H new ATOM 0 HD2 LYS A 7 20.936 -10.893 -5.302 1.00 61.41 H new ATOM 0 HD3 LYS A 7 19.987 -9.420 -5.349 1.00 61.41 H new ATOM 0 HE2 LYS A 7 20.827 -8.802 -3.074 1.00 34.35 H new ATOM 0 HE3 LYS A 7 21.769 -10.279 -3.018 1.00 34.35 H new ATOM 0 HZ1 LYS A 7 23.124 -8.398 -3.660 1.00 2.12 H new ATOM 0 HZ2 LYS A 7 23.036 -9.511 -4.939 1.00 2.12 H new ATOM 0 HZ3 LYS A 7 22.123 -8.080 -4.994 1.00 2.12 H new ATOM 134 N ASN A 8 16.350 -8.396 -1.758 1.00 12.41 N ATOM 135 CA ASN A 8 15.758 -7.326 -0.921 1.00 54.52 C ATOM 136 C ASN A 8 14.390 -6.878 -1.484 1.00 14.13 C ATOM 137 O ASN A 8 13.935 -5.778 -1.210 1.00 32.01 O ATOM 138 CB ASN A 8 16.727 -6.111 -0.836 1.00 64.33 C ATOM 139 CG ASN A 8 17.070 -5.489 -2.203 1.00 73.54 C ATOM 140 OD1 ASN A 8 17.229 -6.182 -3.206 1.00 0.11 O ATOM 141 ND2 ASN A 8 17.157 -4.177 -2.266 1.00 35.31 N ATOM 0 H ASN A 8 16.640 -8.071 -2.680 1.00 12.41 H new ATOM 0 HA ASN A 8 15.601 -7.725 0.081 1.00 54.52 H new ATOM 0 HB2 ASN A 8 16.280 -5.346 -0.202 1.00 64.33 H new ATOM 0 HB3 ASN A 8 17.650 -6.428 -0.350 1.00 64.33 H new ATOM 0 HD21 ASN A 8 17.359 -3.721 -3.156 1.00 35.31 H new ATOM 0 HD22 ASN A 8 17.022 -3.616 -1.425 1.00 35.31 H new ATOM 148 N LYS A 9 13.722 -7.762 -2.235 1.00 61.01 N ATOM 149 CA LYS A 9 12.439 -7.453 -2.907 1.00 72.44 C ATOM 150 C LYS A 9 11.379 -8.527 -2.597 1.00 61.32 C ATOM 151 O LYS A 9 11.660 -9.712 -2.674 1.00 2.44 O ATOM 152 CB LYS A 9 12.686 -7.348 -4.435 1.00 12.34 C ATOM 153 CG LYS A 9 11.436 -7.065 -5.308 1.00 2.22 C ATOM 154 CD LYS A 9 11.793 -6.936 -6.814 1.00 64.25 C ATOM 155 CE LYS A 9 12.818 -5.819 -7.069 1.00 72.30 C ATOM 156 NZ LYS A 9 13.145 -5.654 -8.505 1.00 65.01 N ATOM 0 H LYS A 9 14.050 -8.714 -2.398 1.00 61.01 H new ATOM 0 HA LYS A 9 12.057 -6.503 -2.533 1.00 72.44 H new ATOM 0 HB2 LYS A 9 13.415 -6.557 -4.612 1.00 12.34 H new ATOM 0 HB3 LYS A 9 13.138 -8.280 -4.775 1.00 12.34 H new ATOM 0 HG2 LYS A 9 10.712 -7.869 -5.175 1.00 2.22 H new ATOM 0 HG3 LYS A 9 10.958 -6.146 -4.969 1.00 2.22 H new ATOM 0 HD2 LYS A 9 12.193 -7.884 -7.174 1.00 64.25 H new ATOM 0 HD3 LYS A 9 10.887 -6.734 -7.385 1.00 64.25 H new ATOM 0 HE2 LYS A 9 12.428 -4.879 -6.680 1.00 72.30 H new ATOM 0 HE3 LYS A 9 13.732 -6.038 -6.516 1.00 72.30 H new ATOM 0 HZ1 LYS A 9 13.840 -4.888 -8.617 1.00 65.01 H new ATOM 0 HZ2 LYS A 9 13.544 -6.541 -8.874 1.00 65.01 H new ATOM 0 HZ3 LYS A 9 12.281 -5.417 -9.033 1.00 65.01 H new ATOM 170 N ILE A 10 10.171 -8.083 -2.230 1.00 23.51 N ATOM 171 CA ILE A 10 8.984 -8.940 -2.058 1.00 5.13 C ATOM 172 C ILE A 10 7.917 -8.545 -3.105 1.00 15.53 C ATOM 173 O ILE A 10 7.460 -7.403 -3.141 1.00 21.13 O ATOM 174 CB ILE A 10 8.403 -8.804 -0.599 1.00 64.14 C ATOM 175 CG1 ILE A 10 9.408 -9.385 0.447 1.00 63.34 C ATOM 176 CG2 ILE A 10 7.006 -9.459 -0.458 1.00 2.45 C ATOM 177 CD1 ILE A 10 8.970 -9.257 1.897 1.00 71.53 C ATOM 0 H ILE A 10 9.984 -7.099 -2.040 1.00 23.51 H new ATOM 0 HA ILE A 10 9.270 -9.981 -2.207 1.00 5.13 H new ATOM 0 HB ILE A 10 8.270 -7.741 -0.400 1.00 64.14 H new ATOM 0 HG12 ILE A 10 9.572 -10.439 0.224 1.00 63.34 H new ATOM 0 HG13 ILE A 10 10.367 -8.881 0.327 1.00 63.34 H new ATOM 0 HG21 ILE A 10 6.649 -9.338 0.565 1.00 2.45 H new ATOM 0 HG22 ILE A 10 6.308 -8.979 -1.145 1.00 2.45 H new ATOM 0 HG23 ILE A 10 7.076 -10.521 -0.695 1.00 2.45 H new ATOM 0 HD11 ILE A 10 9.732 -9.688 2.547 1.00 71.53 H new ATOM 0 HD12 ILE A 10 8.835 -8.204 2.145 1.00 71.53 H new ATOM 0 HD13 ILE A 10 8.028 -9.787 2.041 1.00 71.53 H new ATOM 189 N ILE A 11 7.541 -9.499 -3.953 1.00 5.41 N ATOM 190 CA ILE A 11 6.557 -9.309 -5.029 1.00 15.22 C ATOM 191 C ILE A 11 5.247 -10.032 -4.644 1.00 31.22 C ATOM 192 O ILE A 11 5.170 -11.260 -4.723 1.00 72.31 O ATOM 193 CB ILE A 11 7.136 -9.879 -6.381 1.00 14.24 C ATOM 194 CG1 ILE A 11 8.453 -9.136 -6.772 1.00 22.14 C ATOM 195 CG2 ILE A 11 6.102 -9.819 -7.527 1.00 34.13 C ATOM 196 CD1 ILE A 11 9.160 -9.689 -7.998 1.00 2.52 C ATOM 0 H ILE A 11 7.916 -10.447 -3.915 1.00 5.41 H new ATOM 0 HA ILE A 11 6.348 -8.248 -5.166 1.00 15.22 H new ATOM 0 HB ILE A 11 7.368 -10.932 -6.219 1.00 14.24 H new ATOM 0 HG12 ILE A 11 8.222 -8.085 -6.947 1.00 22.14 H new ATOM 0 HG13 ILE A 11 9.140 -9.175 -5.926 1.00 22.14 H new ATOM 0 HG21 ILE A 11 6.545 -10.222 -8.438 1.00 34.13 H new ATOM 0 HG22 ILE A 11 5.226 -10.409 -7.258 1.00 34.13 H new ATOM 0 HG23 ILE A 11 5.805 -8.784 -7.695 1.00 34.13 H new ATOM 0 HD11 ILE A 11 10.063 -9.109 -8.190 1.00 2.52 H new ATOM 0 HD12 ILE A 11 9.429 -10.731 -7.824 1.00 2.52 H new ATOM 0 HD13 ILE A 11 8.497 -9.624 -8.861 1.00 2.52 H new ATOM 208 N PHE A 12 4.222 -9.260 -4.242 1.00 61.25 N ATOM 209 CA PHE A 12 2.937 -9.806 -3.745 1.00 13.43 C ATOM 210 C PHE A 12 1.861 -9.756 -4.849 1.00 35.52 C ATOM 211 O PHE A 12 1.869 -8.861 -5.689 1.00 54.14 O ATOM 212 CB PHE A 12 2.461 -9.013 -2.494 1.00 5.11 C ATOM 213 CG PHE A 12 1.260 -9.640 -1.768 1.00 62.52 C ATOM 214 CD1 PHE A 12 1.410 -10.806 -1.012 1.00 61.04 C ATOM 215 CD2 PHE A 12 -0.016 -9.083 -1.863 1.00 42.41 C ATOM 216 CE1 PHE A 12 0.325 -11.385 -0.376 1.00 20.14 C ATOM 217 CE2 PHE A 12 -1.093 -9.668 -1.227 1.00 71.34 C ATOM 218 CZ PHE A 12 -0.925 -10.816 -0.484 1.00 22.05 C ATOM 0 H PHE A 12 4.256 -8.241 -4.251 1.00 61.25 H new ATOM 0 HA PHE A 12 3.093 -10.847 -3.463 1.00 13.43 H new ATOM 0 HB2 PHE A 12 3.292 -8.930 -1.793 1.00 5.11 H new ATOM 0 HB3 PHE A 12 2.198 -8.000 -2.799 1.00 5.11 H new ATOM 0 HD1 PHE A 12 2.385 -11.261 -0.923 1.00 61.04 H new ATOM 0 HD2 PHE A 12 -0.163 -8.183 -2.441 1.00 42.41 H new ATOM 0 HE1 PHE A 12 0.459 -12.285 0.206 1.00 20.14 H new ATOM 0 HE2 PHE A 12 -2.073 -9.223 -1.313 1.00 71.34 H new ATOM 0 HZ PHE A 12 -1.771 -11.269 0.012 1.00 22.05 H new ATOM 228 N THR A 13 0.930 -10.722 -4.825 1.00 73.11 N ATOM 229 CA THR A 13 -0.200 -10.793 -5.782 1.00 51.32 C ATOM 230 C THR A 13 -1.522 -11.101 -5.039 1.00 13.31 C ATOM 231 O THR A 13 -1.554 -11.941 -4.134 1.00 25.11 O ATOM 232 CB THR A 13 0.073 -11.859 -6.905 1.00 22.20 C ATOM 233 OG1 THR A 13 -1.070 -11.985 -7.773 1.00 13.14 O ATOM 234 CG2 THR A 13 0.450 -13.244 -6.332 1.00 31.11 C ATOM 0 H THR A 13 0.934 -11.480 -4.143 1.00 73.11 H new ATOM 0 HA THR A 13 -0.296 -9.820 -6.265 1.00 51.32 H new ATOM 0 HB THR A 13 0.928 -11.498 -7.476 1.00 22.20 H new ATOM 0 HG1 THR A 13 -0.882 -12.651 -8.467 1.00 13.14 H new ATOM 0 HG21 THR A 13 0.627 -13.941 -7.151 1.00 31.11 H new ATOM 0 HG22 THR A 13 1.354 -13.155 -5.729 1.00 31.11 H new ATOM 0 HG23 THR A 13 -0.365 -13.615 -5.711 1.00 31.11 H new ATOM 242 N ARG A 14 -2.604 -10.389 -5.413 1.00 14.25 N ATOM 243 CA ARG A 14 -3.936 -10.521 -4.774 1.00 12.34 C ATOM 244 C ARG A 14 -5.063 -10.242 -5.791 1.00 3.04 C ATOM 245 O ARG A 14 -5.000 -9.266 -6.549 1.00 63.33 O ATOM 246 CB ARG A 14 -4.057 -9.544 -3.568 1.00 53.40 C ATOM 247 CG ARG A 14 -5.465 -9.447 -2.916 1.00 10.42 C ATOM 248 CD ARG A 14 -5.922 -10.729 -2.192 1.00 40.00 C ATOM 249 NE ARG A 14 -7.334 -10.630 -1.759 1.00 14.12 N ATOM 250 CZ ARG A 14 -7.818 -11.008 -0.589 1.00 34.44 C ATOM 251 NH1 ARG A 14 -7.051 -11.510 0.334 1.00 61.41 N ATOM 252 NH2 ARG A 14 -9.082 -10.878 -0.356 1.00 33.03 N ATOM 0 H ARG A 14 -2.582 -9.704 -6.168 1.00 14.25 H new ATOM 0 HA ARG A 14 -4.039 -11.545 -4.415 1.00 12.34 H new ATOM 0 HB2 ARG A 14 -3.343 -9.850 -2.803 1.00 53.40 H new ATOM 0 HB3 ARG A 14 -3.761 -8.549 -3.900 1.00 53.40 H new ATOM 0 HG2 ARG A 14 -5.466 -8.622 -2.203 1.00 10.42 H new ATOM 0 HG3 ARG A 14 -6.194 -9.201 -3.689 1.00 10.42 H new ATOM 0 HD2 ARG A 14 -5.802 -11.586 -2.855 1.00 40.00 H new ATOM 0 HD3 ARG A 14 -5.285 -10.906 -1.325 1.00 40.00 H new ATOM 0 HE ARG A 14 -7.995 -10.233 -2.426 1.00 14.12 H new ATOM 0 HH11 ARG A 14 -6.051 -11.619 0.163 1.00 61.41 H new ATOM 0 HH12 ARG A 14 -7.449 -11.794 1.229 1.00 61.41 H new ATOM 0 HH21 ARG A 14 -9.695 -10.487 -1.071 1.00 33.03 H new ATOM 0 HH22 ARG A 14 -9.467 -11.166 0.543 1.00 33.03 H new ATOM 266 N THR A 15 -6.096 -11.100 -5.774 1.00 24.11 N ATOM 267 CA THR A 15 -7.297 -10.956 -6.627 1.00 51.14 C ATOM 268 C THR A 15 -8.490 -10.385 -5.814 1.00 53.12 C ATOM 269 O THR A 15 -8.670 -10.726 -4.640 1.00 51.35 O ATOM 270 CB THR A 15 -7.709 -12.336 -7.252 1.00 73.35 C ATOM 271 OG1 THR A 15 -6.567 -12.950 -7.875 1.00 21.33 O ATOM 272 CG2 THR A 15 -8.833 -12.193 -8.303 1.00 42.23 C ATOM 0 H THR A 15 -6.126 -11.919 -5.166 1.00 24.11 H new ATOM 0 HA THR A 15 -7.046 -10.261 -7.429 1.00 51.14 H new ATOM 0 HB THR A 15 -8.084 -12.956 -6.438 1.00 73.35 H new ATOM 0 HG1 THR A 15 -6.290 -12.416 -8.649 1.00 21.33 H new ATOM 0 HG21 THR A 15 -9.082 -13.175 -8.705 1.00 42.23 H new ATOM 0 HG22 THR A 15 -9.716 -11.758 -7.835 1.00 42.23 H new ATOM 0 HG23 THR A 15 -8.495 -11.545 -9.111 1.00 42.23 H new ATOM 280 N PHE A 16 -9.280 -9.495 -6.445 1.00 32.54 N ATOM 281 CA PHE A 16 -10.564 -8.987 -5.909 1.00 24.31 C ATOM 282 C PHE A 16 -11.677 -9.113 -6.973 1.00 62.41 C ATOM 283 O PHE A 16 -11.446 -8.813 -8.149 1.00 22.25 O ATOM 284 CB PHE A 16 -10.455 -7.488 -5.497 1.00 24.21 C ATOM 285 CG PHE A 16 -9.497 -7.209 -4.347 1.00 42.53 C ATOM 286 CD1 PHE A 16 -9.801 -7.642 -3.055 1.00 33.13 C ATOM 287 CD2 PHE A 16 -8.302 -6.516 -4.548 1.00 64.22 C ATOM 288 CE1 PHE A 16 -8.943 -7.390 -2.008 1.00 55.53 C ATOM 289 CE2 PHE A 16 -7.446 -6.264 -3.495 1.00 52.12 C ATOM 290 CZ PHE A 16 -7.768 -6.702 -2.225 1.00 5.31 C ATOM 0 H PHE A 16 -9.043 -9.101 -7.355 1.00 32.54 H new ATOM 0 HA PHE A 16 -10.805 -9.587 -5.031 1.00 24.31 H new ATOM 0 HB2 PHE A 16 -10.137 -6.910 -6.364 1.00 24.21 H new ATOM 0 HB3 PHE A 16 -11.446 -7.129 -5.221 1.00 24.21 H new ATOM 0 HD1 PHE A 16 -10.720 -8.181 -2.875 1.00 33.13 H new ATOM 0 HD2 PHE A 16 -8.044 -6.173 -5.539 1.00 64.22 H new ATOM 0 HE1 PHE A 16 -9.191 -7.732 -1.014 1.00 55.53 H new ATOM 0 HE2 PHE A 16 -6.525 -5.725 -3.664 1.00 52.12 H new ATOM 0 HZ PHE A 16 -7.098 -6.505 -1.401 1.00 5.31 H new ATOM 300 N SER A 17 -12.879 -9.552 -6.563 1.00 5.02 N ATOM 301 CA SER A 17 -14.093 -9.394 -7.386 1.00 42.45 C ATOM 302 C SER A 17 -14.623 -7.951 -7.204 1.00 34.23 C ATOM 303 O SER A 17 -15.367 -7.649 -6.259 1.00 21.34 O ATOM 304 CB SER A 17 -15.159 -10.449 -7.002 1.00 34.31 C ATOM 305 OG SER A 17 -15.484 -10.391 -5.621 1.00 2.43 O ATOM 0 H SER A 17 -13.037 -10.018 -5.670 1.00 5.02 H new ATOM 0 HA SER A 17 -13.856 -9.557 -8.437 1.00 42.45 H new ATOM 0 HB2 SER A 17 -16.060 -10.288 -7.595 1.00 34.31 H new ATOM 0 HB3 SER A 17 -14.790 -11.445 -7.247 1.00 34.31 H new ATOM 0 HG SER A 17 -15.512 -9.455 -5.331 1.00 2.43 H new ATOM 311 N ALA A 18 -14.188 -7.070 -8.119 1.00 70.40 N ATOM 312 CA ALA A 18 -14.435 -5.617 -8.062 1.00 61.25 C ATOM 313 C ALA A 18 -13.898 -4.945 -9.346 1.00 11.25 C ATOM 314 O ALA A 18 -12.909 -5.426 -9.917 1.00 51.33 O ATOM 315 CB ALA A 18 -13.768 -4.979 -6.815 1.00 31.01 C ATOM 0 H ALA A 18 -13.644 -7.351 -8.935 1.00 70.40 H new ATOM 0 HA ALA A 18 -15.511 -5.459 -7.987 1.00 61.25 H new ATOM 0 HB1 ALA A 18 -13.969 -3.908 -6.803 1.00 31.01 H new ATOM 0 HB2 ALA A 18 -14.174 -5.435 -5.912 1.00 31.01 H new ATOM 0 HB3 ALA A 18 -12.691 -5.146 -6.853 1.00 31.01 H new ATOM 321 N PRO A 19 -14.542 -3.840 -9.838 1.00 21.32 N ATOM 322 CA PRO A 19 -13.982 -3.002 -10.939 1.00 2.11 C ATOM 323 C PRO A 19 -12.596 -2.380 -10.586 1.00 43.41 C ATOM 324 O PRO A 19 -12.371 -1.944 -9.450 1.00 12.33 O ATOM 325 CB PRO A 19 -15.063 -1.901 -11.133 1.00 21.44 C ATOM 326 CG PRO A 19 -15.832 -1.898 -9.847 1.00 43.14 C ATOM 327 CD PRO A 19 -15.880 -3.342 -9.415 1.00 24.45 C ATOM 0 HA PRO A 19 -13.787 -3.586 -11.838 1.00 2.11 H new ATOM 0 HB2 PRO A 19 -14.609 -0.929 -11.326 1.00 21.44 H new ATOM 0 HB3 PRO A 19 -15.710 -2.125 -11.981 1.00 21.44 H new ATOM 0 HG2 PRO A 19 -15.342 -1.278 -9.096 1.00 43.14 H new ATOM 0 HG3 PRO A 19 -16.835 -1.495 -9.988 1.00 43.14 H new ATOM 0 HD2 PRO A 19 -16.030 -3.441 -8.340 1.00 24.45 H new ATOM 0 HD3 PRO A 19 -16.690 -3.886 -9.901 1.00 24.45 H new ATOM 335 N ILE A 20 -11.705 -2.322 -11.594 1.00 14.55 N ATOM 336 CA ILE A 20 -10.308 -1.817 -11.460 1.00 2.20 C ATOM 337 C ILE A 20 -10.241 -0.348 -10.920 1.00 10.14 C ATOM 338 O ILE A 20 -9.264 0.035 -10.273 1.00 21.43 O ATOM 339 CB ILE A 20 -9.563 -1.933 -12.854 1.00 11.20 C ATOM 340 CG1 ILE A 20 -8.042 -1.566 -12.761 1.00 43.54 C ATOM 341 CG2 ILE A 20 -10.265 -1.066 -13.925 1.00 53.43 C ATOM 342 CD1 ILE A 20 -7.214 -2.451 -11.847 1.00 54.23 C ATOM 0 H ILE A 20 -11.930 -2.627 -12.541 1.00 14.55 H new ATOM 0 HA ILE A 20 -9.806 -2.440 -10.720 1.00 2.20 H new ATOM 0 HB ILE A 20 -9.619 -2.980 -13.151 1.00 11.20 H new ATOM 0 HG12 ILE A 20 -7.614 -1.606 -13.763 1.00 43.54 H new ATOM 0 HG13 ILE A 20 -7.955 -0.535 -12.418 1.00 43.54 H new ATOM 0 HG21 ILE A 20 -9.737 -1.161 -14.874 1.00 53.43 H new ATOM 0 HG22 ILE A 20 -11.295 -1.402 -14.048 1.00 53.43 H new ATOM 0 HG23 ILE A 20 -10.259 -0.023 -13.609 1.00 53.43 H new ATOM 0 HD11 ILE A 20 -6.178 -2.113 -11.854 1.00 54.23 H new ATOM 0 HD12 ILE A 20 -7.607 -2.395 -10.832 1.00 54.23 H new ATOM 0 HD13 ILE A 20 -7.261 -3.482 -12.198 1.00 54.23 H new ATOM 354 N ASN A 21 -11.312 0.441 -11.174 1.00 71.21 N ATOM 355 CA ASN A 21 -11.404 1.866 -10.760 1.00 51.30 C ATOM 356 C ASN A 21 -11.403 2.034 -9.222 1.00 52.23 C ATOM 357 O ASN A 21 -10.564 2.755 -8.686 1.00 51.25 O ATOM 358 CB ASN A 21 -12.663 2.536 -11.377 1.00 65.23 C ATOM 359 CG ASN A 21 -12.533 2.734 -12.885 1.00 14.51 C ATOM 360 OD1 ASN A 21 -12.896 1.872 -13.674 1.00 32.41 O ATOM 361 ND2 ASN A 21 -11.993 3.867 -13.301 1.00 21.30 N ATOM 0 H ASN A 21 -12.138 0.109 -11.672 1.00 71.21 H new ATOM 0 HA ASN A 21 -10.513 2.365 -11.140 1.00 51.30 H new ATOM 0 HB2 ASN A 21 -13.539 1.921 -11.168 1.00 65.23 H new ATOM 0 HB3 ASN A 21 -12.829 3.501 -10.899 1.00 65.23 H new ATOM 0 HD21 ASN A 21 -11.871 4.038 -14.299 1.00 21.30 H new ATOM 0 HD22 ASN A 21 -11.698 4.570 -12.624 1.00 21.30 H new ATOM 368 N LYS A 22 -12.326 1.340 -8.519 1.00 41.13 N ATOM 369 CA LYS A 22 -12.429 1.442 -7.032 1.00 42.33 C ATOM 370 C LYS A 22 -11.191 0.826 -6.334 1.00 4.53 C ATOM 371 O LYS A 22 -10.792 1.269 -5.247 1.00 11.45 O ATOM 372 CB LYS A 22 -13.734 0.786 -6.493 1.00 23.43 C ATOM 373 CG LYS A 22 -13.974 -0.679 -6.932 1.00 44.32 C ATOM 374 CD LYS A 22 -15.109 -1.375 -6.140 1.00 2.12 C ATOM 375 CE LYS A 22 -16.470 -0.669 -6.286 1.00 72.13 C ATOM 376 NZ LYS A 22 -17.569 -1.416 -5.625 1.00 33.44 N ATOM 0 H LYS A 22 -13.006 0.709 -8.944 1.00 41.13 H new ATOM 0 HA LYS A 22 -12.465 2.505 -6.794 1.00 42.33 H new ATOM 0 HB2 LYS A 22 -13.715 0.822 -5.404 1.00 23.43 H new ATOM 0 HB3 LYS A 22 -14.583 1.388 -6.817 1.00 23.43 H new ATOM 0 HG2 LYS A 22 -14.217 -0.698 -7.994 1.00 44.32 H new ATOM 0 HG3 LYS A 22 -13.051 -1.245 -6.805 1.00 44.32 H new ATOM 0 HD2 LYS A 22 -15.203 -2.406 -6.482 1.00 2.12 H new ATOM 0 HD3 LYS A 22 -14.837 -1.412 -5.085 1.00 2.12 H new ATOM 0 HE2 LYS A 22 -16.405 0.331 -5.857 1.00 72.13 H new ATOM 0 HE3 LYS A 22 -16.702 -0.548 -7.344 1.00 72.13 H new ATOM 0 HZ1 LYS A 22 -18.387 -0.787 -5.496 1.00 33.44 H new ATOM 0 HZ2 LYS A 22 -17.844 -2.225 -6.218 1.00 33.44 H new ATOM 0 HZ3 LYS A 22 -17.247 -1.760 -4.698 1.00 33.44 H new ATOM 390 N VAL A 23 -10.598 -0.195 -6.981 1.00 23.12 N ATOM 391 CA VAL A 23 -9.359 -0.851 -6.510 1.00 42.42 C ATOM 392 C VAL A 23 -8.158 0.135 -6.592 1.00 15.40 C ATOM 393 O VAL A 23 -7.309 0.182 -5.697 1.00 32.41 O ATOM 394 CB VAL A 23 -9.074 -2.150 -7.358 1.00 20.32 C ATOM 395 CG1 VAL A 23 -7.741 -2.828 -6.945 1.00 31.41 C ATOM 396 CG2 VAL A 23 -10.254 -3.152 -7.249 1.00 3.23 C ATOM 0 H VAL A 23 -10.964 -0.591 -7.847 1.00 23.12 H new ATOM 0 HA VAL A 23 -9.491 -1.142 -5.468 1.00 42.42 H new ATOM 0 HB VAL A 23 -8.976 -1.841 -8.399 1.00 20.32 H new ATOM 0 HG11 VAL A 23 -7.582 -3.719 -7.553 1.00 31.41 H new ATOM 0 HG12 VAL A 23 -6.916 -2.132 -7.098 1.00 31.41 H new ATOM 0 HG13 VAL A 23 -7.787 -3.110 -5.893 1.00 31.41 H new ATOM 0 HG21 VAL A 23 -10.034 -4.039 -7.842 1.00 3.23 H new ATOM 0 HG22 VAL A 23 -10.393 -3.438 -6.206 1.00 3.23 H new ATOM 0 HG23 VAL A 23 -11.165 -2.683 -7.622 1.00 3.23 H new ATOM 406 N PHE A 24 -8.129 0.923 -7.679 1.00 41.12 N ATOM 407 CA PHE A 24 -7.130 1.994 -7.896 1.00 10.31 C ATOM 408 C PHE A 24 -7.291 3.134 -6.860 1.00 73.13 C ATOM 409 O PHE A 24 -6.311 3.561 -6.244 1.00 53.51 O ATOM 410 CB PHE A 24 -7.269 2.542 -9.343 1.00 11.15 C ATOM 411 CG PHE A 24 -6.398 3.760 -9.670 1.00 43.12 C ATOM 412 CD1 PHE A 24 -5.005 3.678 -9.622 1.00 40.35 C ATOM 413 CD2 PHE A 24 -6.976 4.986 -10.026 1.00 43.12 C ATOM 414 CE1 PHE A 24 -4.224 4.774 -9.925 1.00 23.34 C ATOM 415 CE2 PHE A 24 -6.186 6.079 -10.330 1.00 53.40 C ATOM 416 CZ PHE A 24 -4.812 5.972 -10.277 1.00 45.22 C ATOM 0 H PHE A 24 -8.802 0.838 -8.441 1.00 41.12 H new ATOM 0 HA PHE A 24 -6.133 1.574 -7.763 1.00 10.31 H new ATOM 0 HB2 PHE A 24 -7.023 1.742 -10.042 1.00 11.15 H new ATOM 0 HB3 PHE A 24 -8.313 2.806 -9.515 1.00 11.15 H new ATOM 0 HD1 PHE A 24 -4.534 2.747 -9.345 1.00 40.35 H new ATOM 0 HD2 PHE A 24 -8.051 5.078 -10.063 1.00 43.12 H new ATOM 0 HE1 PHE A 24 -3.148 4.694 -9.887 1.00 23.34 H new ATOM 0 HE2 PHE A 24 -6.645 7.016 -10.609 1.00 53.40 H new ATOM 0 HZ PHE A 24 -4.195 6.827 -10.511 1.00 45.22 H new ATOM 426 N ASP A 25 -8.539 3.601 -6.669 1.00 34.43 N ATOM 427 CA ASP A 25 -8.867 4.713 -5.740 1.00 50.00 C ATOM 428 C ASP A 25 -8.593 4.362 -4.254 1.00 0.20 C ATOM 429 O ASP A 25 -8.547 5.247 -3.403 1.00 44.00 O ATOM 430 CB ASP A 25 -10.343 5.146 -5.936 1.00 40.14 C ATOM 431 CG ASP A 25 -10.641 5.673 -7.352 1.00 32.14 C ATOM 432 OD1 ASP A 25 -9.783 6.390 -7.925 1.00 53.23 O ATOM 433 OD2 ASP A 25 -11.731 5.379 -7.898 1.00 34.32 O ATOM 0 H ASP A 25 -9.353 3.222 -7.152 1.00 34.43 H new ATOM 0 HA ASP A 25 -8.205 5.543 -5.986 1.00 50.00 H new ATOM 0 HB2 ASP A 25 -10.994 4.297 -5.727 1.00 40.14 H new ATOM 0 HB3 ASP A 25 -10.587 5.921 -5.209 1.00 40.14 H new ATOM 438 N ALA A 26 -8.427 3.065 -3.955 1.00 30.02 N ATOM 439 CA ALA A 26 -7.971 2.584 -2.628 1.00 62.33 C ATOM 440 C ALA A 26 -6.517 3.030 -2.315 1.00 52.30 C ATOM 441 O ALA A 26 -6.136 3.199 -1.154 1.00 73.44 O ATOM 442 CB ALA A 26 -8.077 1.061 -2.583 1.00 12.12 C ATOM 0 H ALA A 26 -8.603 2.314 -4.622 1.00 30.02 H new ATOM 0 HA ALA A 26 -8.613 3.027 -1.867 1.00 62.33 H new ATOM 0 HB1 ALA A 26 -7.743 0.702 -1.610 1.00 12.12 H new ATOM 0 HB2 ALA A 26 -9.113 0.763 -2.744 1.00 12.12 H new ATOM 0 HB3 ALA A 26 -7.450 0.629 -3.364 1.00 12.12 H new ATOM 448 N TYR A 27 -5.721 3.199 -3.381 1.00 21.03 N ATOM 449 CA TYR A 27 -4.292 3.593 -3.311 1.00 53.33 C ATOM 450 C TYR A 27 -4.077 5.068 -3.703 1.00 63.44 C ATOM 451 O TYR A 27 -2.957 5.586 -3.609 1.00 64.42 O ATOM 452 CB TYR A 27 -3.479 2.685 -4.271 1.00 34.34 C ATOM 453 CG TYR A 27 -3.487 1.201 -3.856 1.00 43.42 C ATOM 454 CD1 TYR A 27 -2.597 0.712 -2.896 1.00 64.35 C ATOM 455 CD2 TYR A 27 -4.410 0.301 -4.400 1.00 53.23 C ATOM 456 CE1 TYR A 27 -2.625 -0.616 -2.504 1.00 54.43 C ATOM 457 CE2 TYR A 27 -4.445 -1.024 -4.004 1.00 2.14 C ATOM 458 CZ TYR A 27 -3.549 -1.478 -3.057 1.00 50.20 C ATOM 459 OH TYR A 27 -3.585 -2.798 -2.650 1.00 72.30 O ATOM 0 H TYR A 27 -6.051 3.065 -4.337 1.00 21.03 H new ATOM 0 HA TYR A 27 -3.957 3.474 -2.281 1.00 53.33 H new ATOM 0 HB2 TYR A 27 -3.886 2.776 -5.278 1.00 34.34 H new ATOM 0 HB3 TYR A 27 -2.449 3.039 -4.310 1.00 34.34 H new ATOM 0 HD1 TYR A 27 -1.875 1.381 -2.452 1.00 64.35 H new ATOM 0 HD2 TYR A 27 -5.110 0.648 -5.145 1.00 53.23 H new ATOM 0 HE1 TYR A 27 -1.924 -0.976 -1.766 1.00 54.43 H new ATOM 0 HE2 TYR A 27 -5.170 -1.700 -4.434 1.00 2.14 H new ATOM 0 HH TYR A 27 -4.293 -3.271 -3.135 1.00 72.30 H new ATOM 469 N THR A 28 -5.156 5.736 -4.151 1.00 32.21 N ATOM 470 CA THR A 28 -5.072 7.076 -4.781 1.00 11.54 C ATOM 471 C THR A 28 -5.978 8.117 -4.063 1.00 24.52 C ATOM 472 O THR A 28 -5.778 9.327 -4.202 1.00 63.14 O ATOM 473 CB THR A 28 -5.436 6.966 -6.304 1.00 71.14 C ATOM 474 OG1 THR A 28 -4.758 5.838 -6.881 1.00 21.24 O ATOM 475 CG2 THR A 28 -5.021 8.204 -7.098 1.00 4.11 C ATOM 0 H THR A 28 -6.106 5.370 -4.089 1.00 32.21 H new ATOM 0 HA THR A 28 -4.047 7.434 -4.682 1.00 11.54 H new ATOM 0 HB THR A 28 -6.519 6.860 -6.359 1.00 71.14 H new ATOM 0 HG1 THR A 28 -5.260 5.019 -6.685 1.00 21.24 H new ATOM 0 HG21 THR A 28 -5.296 8.074 -8.145 1.00 4.11 H new ATOM 0 HG22 THR A 28 -5.528 9.081 -6.696 1.00 4.11 H new ATOM 0 HG23 THR A 28 -3.942 8.341 -7.021 1.00 4.11 H new ATOM 483 N LYS A 29 -6.978 7.636 -3.298 1.00 50.40 N ATOM 484 CA LYS A 29 -7.852 8.486 -2.430 1.00 23.22 C ATOM 485 C LYS A 29 -7.698 8.055 -0.947 1.00 45.33 C ATOM 486 O LYS A 29 -7.767 6.859 -0.636 1.00 73.54 O ATOM 487 CB LYS A 29 -9.365 8.397 -2.847 1.00 61.24 C ATOM 488 CG LYS A 29 -9.804 9.278 -4.050 1.00 12.03 C ATOM 489 CD LYS A 29 -9.204 8.847 -5.406 1.00 5.24 C ATOM 490 CE LYS A 29 -9.715 9.701 -6.582 1.00 51.51 C ATOM 491 NZ LYS A 29 -9.138 9.252 -7.872 1.00 52.54 N ATOM 0 H LYS A 29 -7.212 6.644 -3.257 1.00 50.40 H new ATOM 0 HA LYS A 29 -7.532 9.520 -2.556 1.00 23.22 H new ATOM 0 HB2 LYS A 29 -9.594 7.358 -3.083 1.00 61.24 H new ATOM 0 HB3 LYS A 29 -9.974 8.669 -1.985 1.00 61.24 H new ATOM 0 HG2 LYS A 29 -10.891 9.256 -4.124 1.00 12.03 H new ATOM 0 HG3 LYS A 29 -9.519 10.311 -3.852 1.00 12.03 H new ATOM 0 HD2 LYS A 29 -8.117 8.918 -5.357 1.00 5.24 H new ATOM 0 HD3 LYS A 29 -9.447 7.801 -5.590 1.00 5.24 H new ATOM 0 HE2 LYS A 29 -10.802 9.643 -6.629 1.00 51.51 H new ATOM 0 HE3 LYS A 29 -9.458 10.747 -6.412 1.00 51.51 H new ATOM 0 HZ1 LYS A 29 -9.567 9.792 -8.651 1.00 52.54 H new ATOM 0 HZ2 LYS A 29 -8.110 9.410 -7.866 1.00 52.54 H new ATOM 0 HZ3 LYS A 29 -9.332 8.239 -8.005 1.00 52.54 H new ATOM 505 N ARG A 30 -7.521 9.036 -0.032 1.00 64.21 N ATOM 506 CA ARG A 30 -7.338 8.759 1.420 1.00 32.02 C ATOM 507 C ARG A 30 -8.611 8.215 2.098 1.00 51.32 C ATOM 508 O ARG A 30 -8.521 7.431 3.043 1.00 52.14 O ATOM 509 CB ARG A 30 -6.796 10.020 2.176 1.00 41.50 C ATOM 510 CG ARG A 30 -7.581 11.356 1.983 1.00 55.11 C ATOM 511 CD ARG A 30 -8.868 11.490 2.831 1.00 24.05 C ATOM 512 NE ARG A 30 -9.648 12.698 2.472 1.00 1.41 N ATOM 513 CZ ARG A 30 -10.965 12.782 2.452 1.00 63.31 C ATOM 514 NH1 ARG A 30 -11.708 11.771 2.769 1.00 61.12 N ATOM 515 NH2 ARG A 30 -11.535 13.885 2.097 1.00 51.40 N ATOM 0 H ARG A 30 -7.500 10.028 -0.269 1.00 64.21 H new ATOM 0 HA ARG A 30 -6.591 7.968 1.485 1.00 32.02 H new ATOM 0 HB2 ARG A 30 -6.773 9.792 3.242 1.00 41.50 H new ATOM 0 HB3 ARG A 30 -5.765 10.185 1.863 1.00 41.50 H new ATOM 0 HG2 ARG A 30 -6.918 12.187 2.224 1.00 55.11 H new ATOM 0 HG3 ARG A 30 -7.846 11.455 0.930 1.00 55.11 H new ATOM 0 HD2 ARG A 30 -9.488 10.604 2.692 1.00 24.05 H new ATOM 0 HD3 ARG A 30 -8.603 11.531 3.888 1.00 24.05 H new ATOM 0 HE ARG A 30 -9.123 13.535 2.219 1.00 1.41 H new ATOM 0 HH11 ARG A 30 -11.278 10.887 3.041 1.00 61.12 H new ATOM 0 HH12 ARG A 30 -12.724 11.858 2.747 1.00 61.12 H new ATOM 0 HH21 ARG A 30 -10.967 14.690 1.832 1.00 51.40 H new ATOM 0 HH22 ARG A 30 -12.553 13.951 2.081 1.00 51.40 H new ATOM 529 N GLU A 31 -9.784 8.634 1.583 1.00 64.11 N ATOM 530 CA GLU A 31 -11.118 8.239 2.108 1.00 43.12 C ATOM 531 C GLU A 31 -11.304 6.705 2.158 1.00 51.21 C ATOM 532 O GLU A 31 -12.077 6.194 2.968 1.00 14.23 O ATOM 533 CB GLU A 31 -12.224 8.888 1.233 1.00 72.51 C ATOM 534 CG GLU A 31 -12.163 8.495 -0.256 1.00 34.21 C ATOM 535 CD GLU A 31 -13.147 9.273 -1.135 1.00 31.22 C ATOM 536 OE1 GLU A 31 -12.885 10.464 -1.421 1.00 62.00 O ATOM 537 OE2 GLU A 31 -14.187 8.711 -1.531 1.00 21.32 O ATOM 0 H GLU A 31 -9.839 9.263 0.782 1.00 64.11 H new ATOM 0 HA GLU A 31 -11.193 8.597 3.135 1.00 43.12 H new ATOM 0 HB2 GLU A 31 -13.199 8.607 1.632 1.00 72.51 H new ATOM 0 HB3 GLU A 31 -12.147 9.972 1.315 1.00 72.51 H new ATOM 0 HG2 GLU A 31 -11.151 8.659 -0.625 1.00 34.21 H new ATOM 0 HG3 GLU A 31 -12.368 7.429 -0.351 1.00 34.21 H new ATOM 544 N LEU A 32 -10.573 5.996 1.285 1.00 61.54 N ATOM 545 CA LEU A 32 -10.622 4.531 1.174 1.00 60.00 C ATOM 546 C LEU A 32 -9.368 3.910 1.816 1.00 12.32 C ATOM 547 O LEU A 32 -9.461 2.908 2.528 1.00 75.23 O ATOM 548 CB LEU A 32 -10.718 4.140 -0.319 1.00 74.21 C ATOM 549 CG LEU A 32 -11.871 4.824 -1.118 1.00 71.01 C ATOM 550 CD1 LEU A 32 -11.813 4.444 -2.600 1.00 20.41 C ATOM 551 CD2 LEU A 32 -13.258 4.514 -0.508 1.00 72.30 C ATOM 0 H LEU A 32 -9.924 6.429 0.629 1.00 61.54 H new ATOM 0 HA LEU A 32 -11.498 4.152 1.701 1.00 60.00 H new ATOM 0 HB2 LEU A 32 -9.771 4.382 -0.802 1.00 74.21 H new ATOM 0 HB3 LEU A 32 -10.843 3.059 -0.387 1.00 74.21 H new ATOM 0 HG LEU A 32 -11.725 5.902 -1.043 1.00 71.01 H new ATOM 0 HD11 LEU A 32 -12.627 4.934 -3.133 1.00 20.41 H new ATOM 0 HD12 LEU A 32 -10.860 4.764 -3.021 1.00 20.41 H new ATOM 0 HD13 LEU A 32 -11.911 3.363 -2.703 1.00 20.41 H new ATOM 0 HD21 LEU A 32 -14.032 5.009 -1.094 1.00 72.30 H new ATOM 0 HD22 LEU A 32 -13.428 3.437 -0.519 1.00 72.30 H new ATOM 0 HD23 LEU A 32 -13.293 4.877 0.519 1.00 72.30 H new ATOM 563 N PHE A 33 -8.199 4.544 1.553 1.00 41.13 N ATOM 564 CA PHE A 33 -6.873 4.100 2.055 1.00 70.13 C ATOM 565 C PHE A 33 -6.875 3.842 3.579 1.00 24.23 C ATOM 566 O PHE A 33 -6.460 2.772 4.034 1.00 63.24 O ATOM 567 CB PHE A 33 -5.805 5.160 1.687 1.00 14.10 C ATOM 568 CG PHE A 33 -4.372 4.831 2.127 1.00 22.11 C ATOM 569 CD1 PHE A 33 -3.586 3.936 1.396 1.00 45.44 C ATOM 570 CD2 PHE A 33 -3.802 5.435 3.258 1.00 62.25 C ATOM 571 CE1 PHE A 33 -2.284 3.660 1.777 1.00 23.31 C ATOM 572 CE2 PHE A 33 -2.502 5.153 3.638 1.00 43.44 C ATOM 573 CZ PHE A 33 -1.743 4.267 2.895 1.00 25.21 C ATOM 0 H PHE A 33 -8.149 5.387 0.981 1.00 41.13 H new ATOM 0 HA PHE A 33 -6.635 3.150 1.577 1.00 70.13 H new ATOM 0 HB2 PHE A 33 -5.812 5.298 0.606 1.00 14.10 H new ATOM 0 HB3 PHE A 33 -6.094 6.112 2.132 1.00 14.10 H new ATOM 0 HD1 PHE A 33 -4.000 3.454 0.523 1.00 45.44 H new ATOM 0 HD2 PHE A 33 -4.387 6.131 3.841 1.00 62.25 H new ATOM 0 HE1 PHE A 33 -1.689 2.968 1.199 1.00 23.31 H new ATOM 0 HE2 PHE A 33 -2.080 5.624 4.514 1.00 43.44 H new ATOM 0 HZ PHE A 33 -0.727 4.049 3.189 1.00 25.21 H new ATOM 583 N GLU A 34 -7.370 4.825 4.351 1.00 30.34 N ATOM 584 CA GLU A 34 -7.378 4.740 5.828 1.00 51.34 C ATOM 585 C GLU A 34 -8.393 3.697 6.380 1.00 41.25 C ATOM 586 O GLU A 34 -8.308 3.312 7.548 1.00 50.45 O ATOM 587 CB GLU A 34 -7.560 6.163 6.454 1.00 13.34 C ATOM 588 CG GLU A 34 -8.883 6.917 6.142 1.00 15.33 C ATOM 589 CD GLU A 34 -10.103 6.464 6.965 1.00 71.11 C ATOM 590 OE1 GLU A 34 -10.023 6.490 8.217 1.00 70.10 O ATOM 591 OE2 GLU A 34 -11.148 6.113 6.383 1.00 21.34 O ATOM 0 H GLU A 34 -7.770 5.687 3.981 1.00 30.34 H new ATOM 0 HA GLU A 34 -6.404 4.362 6.139 1.00 51.34 H new ATOM 0 HB2 GLU A 34 -7.473 6.069 7.536 1.00 13.34 H new ATOM 0 HB3 GLU A 34 -6.730 6.786 6.121 1.00 13.34 H new ATOM 0 HG2 GLU A 34 -8.725 7.982 6.312 1.00 15.33 H new ATOM 0 HG3 GLU A 34 -9.112 6.794 5.084 1.00 15.33 H new ATOM 598 N GLN A 35 -9.343 3.233 5.537 1.00 21.22 N ATOM 599 CA GLN A 35 -10.322 2.182 5.931 1.00 71.14 C ATOM 600 C GLN A 35 -9.686 0.769 5.980 1.00 51.32 C ATOM 601 O GLN A 35 -10.123 -0.078 6.768 1.00 71.04 O ATOM 602 CB GLN A 35 -11.566 2.182 4.987 1.00 4.01 C ATOM 603 CG GLN A 35 -12.502 3.391 5.191 1.00 54.04 C ATOM 604 CD GLN A 35 -13.789 3.341 4.357 1.00 52.25 C ATOM 605 OE1 GLN A 35 -13.770 3.917 3.172 1.00 61.34 O flip ATOM 606 NE2 GLN A 35 -14.797 2.780 4.776 1.00 64.32 N flip ATOM 0 H GLN A 35 -9.456 3.566 4.580 1.00 21.22 H new ATOM 0 HA GLN A 35 -10.649 2.430 6.941 1.00 71.14 H new ATOM 0 HB2 GLN A 35 -11.225 2.169 3.952 1.00 4.01 H new ATOM 0 HB3 GLN A 35 -12.132 1.265 5.148 1.00 4.01 H new ATOM 0 HG2 GLN A 35 -12.769 3.455 6.246 1.00 54.04 H new ATOM 0 HG3 GLN A 35 -11.958 4.303 4.944 1.00 54.04 H new ATOM 0 HE21 GLN A 35 -14.791 2.340 5.696 1.00 64.32 H new ATOM 0 HE22 GLN A 35 -15.641 2.754 4.204 1.00 64.32 H new ATOM 615 N TRP A 36 -8.655 0.515 5.145 1.00 72.12 N ATOM 616 CA TRP A 36 -8.005 -0.822 5.066 1.00 31.55 C ATOM 617 C TRP A 36 -6.568 -0.825 5.660 1.00 53.42 C ATOM 618 O TRP A 36 -6.226 -1.719 6.441 1.00 71.25 O ATOM 619 CB TRP A 36 -8.022 -1.358 3.602 1.00 21.31 C ATOM 620 CG TRP A 36 -7.192 -0.584 2.593 1.00 23.42 C ATOM 621 CD1 TRP A 36 -7.575 0.493 1.848 1.00 72.33 C ATOM 622 CD2 TRP A 36 -5.835 -0.858 2.212 1.00 61.21 C ATOM 623 NE1 TRP A 36 -6.536 0.920 1.059 1.00 40.04 N ATOM 624 CE2 TRP A 36 -5.458 0.107 1.266 1.00 24.42 C ATOM 625 CE3 TRP A 36 -4.906 -1.824 2.596 1.00 33.12 C ATOM 626 CZ2 TRP A 36 -4.186 0.137 0.707 1.00 31.13 C ATOM 627 CZ3 TRP A 36 -3.646 -1.797 2.042 1.00 63.33 C ATOM 628 CH2 TRP A 36 -3.294 -0.821 1.110 1.00 75.25 C ATOM 0 H TRP A 36 -8.253 1.211 4.517 1.00 72.12 H new ATOM 0 HA TRP A 36 -8.591 -1.501 5.685 1.00 31.55 H new ATOM 0 HB2 TRP A 36 -7.673 -2.391 3.612 1.00 21.31 H new ATOM 0 HB3 TRP A 36 -9.055 -1.374 3.255 1.00 21.31 H new ATOM 0 HD1 TRP A 36 -8.556 0.945 1.875 1.00 72.33 H new ATOM 0 HE1 TRP A 36 -6.564 1.716 0.421 1.00 40.04 H new ATOM 0 HE3 TRP A 36 -5.171 -2.583 3.318 1.00 33.12 H new ATOM 0 HZ2 TRP A 36 -3.911 0.888 -0.019 1.00 31.13 H new ATOM 0 HZ3 TRP A 36 -2.920 -2.542 2.333 1.00 63.33 H new ATOM 0 HH2 TRP A 36 -2.296 -0.821 0.697 1.00 75.25 H new ATOM 639 N PHE A 37 -5.741 0.181 5.290 1.00 72.43 N ATOM 640 CA PHE A 37 -4.300 0.229 5.658 1.00 31.02 C ATOM 641 C PHE A 37 -4.108 0.607 7.155 1.00 50.44 C ATOM 642 O PHE A 37 -3.941 1.780 7.486 1.00 54.41 O ATOM 643 CB PHE A 37 -3.535 1.222 4.729 1.00 25.25 C ATOM 644 CG PHE A 37 -2.010 1.207 4.916 1.00 43.44 C ATOM 645 CD1 PHE A 37 -1.218 0.265 4.254 1.00 15.03 C ATOM 646 CD2 PHE A 37 -1.368 2.117 5.765 1.00 1.12 C ATOM 647 CE1 PHE A 37 0.154 0.237 4.433 1.00 71.55 C ATOM 648 CE2 PHE A 37 0.001 2.086 5.939 1.00 62.03 C ATOM 649 CZ PHE A 37 0.763 1.147 5.276 1.00 15.40 C ATOM 0 H PHE A 37 -6.048 0.978 4.732 1.00 72.43 H new ATOM 0 HA PHE A 37 -3.883 -0.768 5.517 1.00 31.02 H new ATOM 0 HB2 PHE A 37 -3.765 0.983 3.691 1.00 25.25 H new ATOM 0 HB3 PHE A 37 -3.903 2.231 4.913 1.00 25.25 H new ATOM 0 HD1 PHE A 37 -1.683 -0.451 3.593 1.00 15.03 H new ATOM 0 HD2 PHE A 37 -1.954 2.855 6.292 1.00 1.12 H new ATOM 0 HE1 PHE A 37 0.750 -0.498 3.913 1.00 71.55 H new ATOM 0 HE2 PHE A 37 0.477 2.799 6.596 1.00 62.03 H new ATOM 0 HZ PHE A 37 1.834 1.123 5.415 1.00 15.40 H new ATOM 659 N HIS A 38 -4.178 -0.399 8.043 1.00 24.40 N ATOM 660 CA HIS A 38 -3.959 -0.235 9.506 1.00 12.03 C ATOM 661 C HIS A 38 -3.968 -1.622 10.209 1.00 33.21 C ATOM 662 O HIS A 38 -4.634 -2.550 9.725 1.00 44.01 O ATOM 663 CB HIS A 38 -5.027 0.710 10.147 1.00 15.12 C ATOM 664 CG HIS A 38 -6.453 0.255 9.972 1.00 73.25 C ATOM 665 ND1 HIS A 38 -7.068 -0.643 10.821 1.00 2.23 N ATOM 666 CD2 HIS A 38 -7.376 0.576 9.038 1.00 35.31 C ATOM 667 CE1 HIS A 38 -8.301 -0.855 10.415 1.00 51.50 C ATOM 668 NE2 HIS A 38 -8.514 -0.127 9.338 1.00 32.32 N ATOM 0 H HIS A 38 -4.389 -1.359 7.772 1.00 24.40 H new ATOM 0 HA HIS A 38 -2.983 0.229 9.647 1.00 12.03 H new ATOM 0 HB2 HIS A 38 -4.817 0.804 11.213 1.00 15.12 H new ATOM 0 HB3 HIS A 38 -4.921 1.704 9.713 1.00 15.12 H new ATOM 0 HD2 HIS A 38 -7.242 1.258 8.211 1.00 35.31 H new ATOM 0 HE1 HIS A 38 -9.017 -1.514 10.885 1.00 51.50 H new ATOM 0 HE2 HIS A 38 -9.387 -0.092 8.811 1.00 32.32 H new ATOM 677 N PRO A 39 -3.250 -1.790 11.371 1.00 40.13 N ATOM 678 CA PRO A 39 -3.224 -3.080 12.113 1.00 33.23 C ATOM 679 C PRO A 39 -4.474 -3.311 13.021 1.00 25.51 C ATOM 680 O PRO A 39 -5.459 -2.554 12.954 1.00 55.41 O ATOM 681 CB PRO A 39 -1.914 -2.960 12.926 1.00 33.43 C ATOM 682 CG PRO A 39 -1.784 -1.498 13.223 1.00 71.44 C ATOM 683 CD PRO A 39 -2.400 -0.761 12.044 1.00 41.53 C ATOM 0 HA PRO A 39 -3.256 -3.946 11.452 1.00 33.23 H new ATOM 0 HB2 PRO A 39 -1.962 -3.548 13.843 1.00 33.43 H new ATOM 0 HB3 PRO A 39 -1.060 -3.326 12.357 1.00 33.43 H new ATOM 0 HG2 PRO A 39 -2.297 -1.244 14.150 1.00 71.44 H new ATOM 0 HG3 PRO A 39 -0.738 -1.220 13.351 1.00 71.44 H new ATOM 0 HD2 PRO A 39 -2.993 0.092 12.374 1.00 41.53 H new ATOM 0 HD3 PRO A 39 -1.634 -0.375 11.371 1.00 41.53 H new ATOM 691 N GLN A 40 -4.417 -4.381 13.852 1.00 31.43 N ATOM 692 CA GLN A 40 -5.536 -4.810 14.731 1.00 35.23 C ATOM 693 C GLN A 40 -5.895 -3.725 15.784 1.00 71.31 C ATOM 694 O GLN A 40 -5.023 -3.308 16.559 1.00 25.03 O ATOM 695 CB GLN A 40 -5.146 -6.131 15.449 1.00 13.43 C ATOM 696 CG GLN A 40 -6.243 -6.730 16.357 1.00 74.15 C ATOM 697 CD GLN A 40 -5.773 -7.914 17.206 1.00 42.22 C ATOM 698 OE1 GLN A 40 -4.612 -8.004 17.586 1.00 74.40 O ATOM 699 NE2 GLN A 40 -6.669 -8.823 17.528 1.00 23.14 N ATOM 0 H GLN A 40 -3.591 -4.974 13.932 1.00 31.43 H new ATOM 0 HA GLN A 40 -6.416 -4.965 14.107 1.00 35.23 H new ATOM 0 HB2 GLN A 40 -4.876 -6.870 14.695 1.00 13.43 H new ATOM 0 HB3 GLN A 40 -4.256 -5.950 16.051 1.00 13.43 H new ATOM 0 HG2 GLN A 40 -6.619 -5.949 17.018 1.00 74.15 H new ATOM 0 HG3 GLN A 40 -7.079 -7.051 15.735 1.00 74.15 H new ATOM 0 HE21 GLN A 40 -7.631 -8.729 17.201 1.00 23.14 H new ATOM 0 HE22 GLN A 40 -6.402 -9.621 18.104 1.00 23.14 H new ATOM 708 N ASP A 41 -7.180 -3.278 15.779 1.00 21.53 N ATOM 709 CA ASP A 41 -7.727 -2.207 16.674 1.00 0.23 C ATOM 710 C ASP A 41 -7.228 -0.774 16.324 1.00 11.24 C ATOM 711 O ASP A 41 -7.980 0.194 16.475 1.00 63.24 O ATOM 712 CB ASP A 41 -7.487 -2.524 18.187 1.00 51.31 C ATOM 713 CG ASP A 41 -8.400 -3.644 18.723 1.00 55.41 C ATOM 714 OD1 ASP A 41 -8.375 -4.768 18.178 1.00 51.25 O ATOM 715 OD2 ASP A 41 -9.180 -3.397 19.675 1.00 20.35 O ATOM 0 H ASP A 41 -7.882 -3.656 15.143 1.00 21.53 H new ATOM 0 HA ASP A 41 -8.801 -2.211 16.488 1.00 0.23 H new ATOM 0 HB2 ASP A 41 -6.446 -2.812 18.331 1.00 51.31 H new ATOM 0 HB3 ASP A 41 -7.651 -1.619 18.772 1.00 51.31 H new ATOM 720 N ALA A 42 -5.972 -0.646 15.859 1.00 12.11 N ATOM 721 CA ALA A 42 -5.337 0.651 15.566 1.00 2.10 C ATOM 722 C ALA A 42 -5.844 1.264 14.242 1.00 65.53 C ATOM 723 O ALA A 42 -6.197 0.551 13.298 1.00 3.14 O ATOM 724 CB ALA A 42 -3.816 0.483 15.528 1.00 34.01 C ATOM 0 H ALA A 42 -5.366 -1.445 15.675 1.00 12.11 H new ATOM 0 HA ALA A 42 -5.610 1.343 16.363 1.00 2.10 H new ATOM 0 HB1 ALA A 42 -3.349 1.444 15.311 1.00 34.01 H new ATOM 0 HB2 ALA A 42 -3.466 0.119 16.494 1.00 34.01 H new ATOM 0 HB3 ALA A 42 -3.548 -0.234 14.752 1.00 34.01 H new ATOM 730 N SER A 43 -5.865 2.599 14.209 1.00 11.32 N ATOM 731 CA SER A 43 -6.280 3.412 13.044 1.00 75.51 C ATOM 732 C SER A 43 -5.048 4.083 12.389 1.00 42.23 C ATOM 733 O SER A 43 -3.901 3.805 12.763 1.00 45.44 O ATOM 734 CB SER A 43 -7.316 4.475 13.492 1.00 61.11 C ATOM 735 OG SER A 43 -6.766 5.382 14.440 1.00 62.02 O ATOM 0 H SER A 43 -5.588 3.167 15.009 1.00 11.32 H new ATOM 0 HA SER A 43 -6.744 2.764 12.301 1.00 75.51 H new ATOM 0 HB2 SER A 43 -7.669 5.028 12.622 1.00 61.11 H new ATOM 0 HB3 SER A 43 -8.183 3.977 13.926 1.00 61.11 H new ATOM 0 HG SER A 43 -6.496 6.207 13.985 1.00 62.02 H new ATOM 741 N VAL A 44 -5.297 4.930 11.374 1.00 44.40 N ATOM 742 CA VAL A 44 -4.242 5.693 10.671 1.00 24.34 C ATOM 743 C VAL A 44 -4.730 7.135 10.330 1.00 21.14 C ATOM 744 O VAL A 44 -5.684 7.331 9.567 1.00 75.31 O ATOM 745 CB VAL A 44 -3.750 4.920 9.383 1.00 42.33 C ATOM 746 CG1 VAL A 44 -4.920 4.541 8.453 1.00 20.43 C ATOM 747 CG2 VAL A 44 -2.658 5.709 8.618 1.00 53.31 C ATOM 0 H VAL A 44 -6.235 5.107 11.015 1.00 44.40 H new ATOM 0 HA VAL A 44 -3.386 5.789 11.339 1.00 24.34 H new ATOM 0 HB VAL A 44 -3.299 3.991 9.731 1.00 42.33 H new ATOM 0 HG11 VAL A 44 -4.535 4.012 7.581 1.00 20.43 H new ATOM 0 HG12 VAL A 44 -5.617 3.898 8.989 1.00 20.43 H new ATOM 0 HG13 VAL A 44 -5.436 5.445 8.130 1.00 20.43 H new ATOM 0 HG21 VAL A 44 -2.348 5.143 7.740 1.00 53.31 H new ATOM 0 HG22 VAL A 44 -3.058 6.674 8.305 1.00 53.31 H new ATOM 0 HG23 VAL A 44 -1.799 5.867 9.270 1.00 53.31 H new ATOM 757 N THR A 45 -4.089 8.136 10.960 1.00 52.11 N ATOM 758 CA THR A 45 -4.384 9.568 10.752 1.00 12.00 C ATOM 759 C THR A 45 -3.654 10.101 9.501 1.00 31.15 C ATOM 760 O THR A 45 -2.430 10.242 9.504 1.00 75.53 O ATOM 761 CB THR A 45 -3.961 10.413 12.008 1.00 43.35 C ATOM 762 OG1 THR A 45 -4.627 9.908 13.176 1.00 51.21 O ATOM 763 CG2 THR A 45 -4.289 11.915 11.849 1.00 13.31 C ATOM 0 H THR A 45 -3.343 7.973 11.636 1.00 52.11 H new ATOM 0 HA THR A 45 -5.459 9.667 10.604 1.00 12.00 H new ATOM 0 HB THR A 45 -2.880 10.319 12.110 1.00 43.35 H new ATOM 0 HG1 THR A 45 -4.361 10.435 13.958 1.00 51.21 H new ATOM 0 HG21 THR A 45 -3.976 12.452 12.744 1.00 13.31 H new ATOM 0 HG22 THR A 45 -3.760 12.313 10.983 1.00 13.31 H new ATOM 0 HG23 THR A 45 -5.362 12.040 11.707 1.00 13.31 H new ATOM 771 N VAL A 46 -4.418 10.374 8.430 1.00 42.41 N ATOM 772 CA VAL A 46 -3.886 10.986 7.192 1.00 12.04 C ATOM 773 C VAL A 46 -3.825 12.532 7.334 1.00 35.14 C ATOM 774 O VAL A 46 -4.853 13.185 7.529 1.00 71.23 O ATOM 775 CB VAL A 46 -4.756 10.596 5.938 1.00 21.32 C ATOM 776 CG1 VAL A 46 -4.192 11.217 4.631 1.00 23.03 C ATOM 777 CG2 VAL A 46 -4.893 9.055 5.808 1.00 21.23 C ATOM 0 H VAL A 46 -5.419 10.179 8.394 1.00 42.41 H new ATOM 0 HA VAL A 46 -2.878 10.600 7.040 1.00 12.04 H new ATOM 0 HB VAL A 46 -5.752 11.011 6.094 1.00 21.32 H new ATOM 0 HG11 VAL A 46 -4.820 10.925 3.789 1.00 23.03 H new ATOM 0 HG12 VAL A 46 -4.184 12.303 4.718 1.00 23.03 H new ATOM 0 HG13 VAL A 46 -3.176 10.859 4.467 1.00 23.03 H new ATOM 0 HG21 VAL A 46 -5.499 8.816 4.934 1.00 21.23 H new ATOM 0 HG22 VAL A 46 -3.904 8.610 5.697 1.00 21.23 H new ATOM 0 HG23 VAL A 46 -5.373 8.656 6.702 1.00 21.23 H new ATOM 787 N TYR A 47 -2.606 13.093 7.258 1.00 70.31 N ATOM 788 CA TYR A 47 -2.360 14.559 7.313 1.00 44.32 C ATOM 789 C TYR A 47 -2.560 15.210 5.922 1.00 13.34 C ATOM 790 O TYR A 47 -3.097 16.322 5.818 1.00 64.21 O ATOM 791 CB TYR A 47 -0.929 14.832 7.830 1.00 45.13 C ATOM 792 CG TYR A 47 -0.663 14.257 9.227 1.00 11.20 C ATOM 793 CD1 TYR A 47 -1.013 14.964 10.382 1.00 14.35 C ATOM 794 CD2 TYR A 47 -0.074 13.002 9.390 1.00 30.02 C ATOM 795 CE1 TYR A 47 -0.779 14.438 11.640 1.00 4.21 C ATOM 796 CE2 TYR A 47 0.158 12.476 10.643 1.00 52.31 C ATOM 797 CZ TYR A 47 -0.194 13.195 11.764 1.00 62.51 C ATOM 798 OH TYR A 47 0.039 12.671 13.016 1.00 14.24 O ATOM 0 H TYR A 47 -1.752 12.545 7.156 1.00 70.31 H new ATOM 0 HA TYR A 47 -3.081 15.003 7.999 1.00 44.32 H new ATOM 0 HB2 TYR A 47 -0.211 14.408 7.128 1.00 45.13 H new ATOM 0 HB3 TYR A 47 -0.758 15.908 7.850 1.00 45.13 H new ATOM 0 HD1 TYR A 47 -1.474 15.937 10.290 1.00 14.35 H new ATOM 0 HD2 TYR A 47 0.206 12.431 8.517 1.00 30.02 H new ATOM 0 HE1 TYR A 47 -1.053 14.998 12.522 1.00 4.21 H new ATOM 0 HE2 TYR A 47 0.615 11.503 10.745 1.00 52.31 H new ATOM 0 HH TYR A 47 0.775 12.026 12.969 1.00 14.24 H new ATOM 808 N ASP A 48 -2.099 14.506 4.870 1.00 24.41 N ATOM 809 CA ASP A 48 -2.341 14.886 3.457 1.00 62.50 C ATOM 810 C ASP A 48 -2.130 13.652 2.547 1.00 44.01 C ATOM 811 O ASP A 48 -1.494 12.674 2.961 1.00 64.54 O ATOM 812 CB ASP A 48 -1.415 16.062 3.013 1.00 31.14 C ATOM 813 CG ASP A 48 -1.955 16.799 1.768 1.00 23.12 C ATOM 814 OD1 ASP A 48 -2.751 17.754 1.934 1.00 74.10 O ATOM 815 OD2 ASP A 48 -1.623 16.414 0.622 1.00 62.10 O ATOM 0 H ASP A 48 -1.546 13.655 4.972 1.00 24.41 H new ATOM 0 HA ASP A 48 -3.370 15.232 3.364 1.00 62.50 H new ATOM 0 HB2 ASP A 48 -1.312 16.770 3.835 1.00 31.14 H new ATOM 0 HB3 ASP A 48 -0.419 15.675 2.799 1.00 31.14 H new ATOM 820 N PHE A 49 -2.655 13.712 1.309 1.00 1.14 N ATOM 821 CA PHE A 49 -2.587 12.586 0.355 1.00 33.02 C ATOM 822 C PHE A 49 -2.680 13.110 -1.100 1.00 21.32 C ATOM 823 O PHE A 49 -3.741 13.572 -1.530 1.00 14.33 O ATOM 824 CB PHE A 49 -3.739 11.581 0.663 1.00 5.10 C ATOM 825 CG PHE A 49 -3.577 10.164 0.090 1.00 2.30 C ATOM 826 CD1 PHE A 49 -3.522 9.931 -1.286 1.00 34.22 C ATOM 827 CD2 PHE A 49 -3.508 9.058 0.938 1.00 52.35 C ATOM 828 CE1 PHE A 49 -3.398 8.651 -1.784 1.00 74.13 C ATOM 829 CE2 PHE A 49 -3.392 7.781 0.432 1.00 24.01 C ATOM 830 CZ PHE A 49 -3.336 7.576 -0.926 1.00 61.43 C ATOM 0 H PHE A 49 -3.135 14.534 0.943 1.00 1.14 H new ATOM 0 HA PHE A 49 -1.633 12.071 0.463 1.00 33.02 H new ATOM 0 HB2 PHE A 49 -3.845 11.503 1.745 1.00 5.10 H new ATOM 0 HB3 PHE A 49 -4.670 12.000 0.281 1.00 5.10 H new ATOM 0 HD1 PHE A 49 -3.577 10.765 -1.970 1.00 34.22 H new ATOM 0 HD2 PHE A 49 -3.546 9.205 2.007 1.00 52.35 H new ATOM 0 HE1 PHE A 49 -3.349 8.491 -2.851 1.00 74.13 H new ATOM 0 HE2 PHE A 49 -3.345 6.938 1.105 1.00 24.01 H new ATOM 0 HZ PHE A 49 -3.244 6.574 -1.319 1.00 61.43 H new ATOM 840 N ASN A 50 -1.566 13.031 -1.845 1.00 33.41 N ATOM 841 CA ASN A 50 -1.515 13.384 -3.284 1.00 62.02 C ATOM 842 C ASN A 50 -0.785 12.264 -4.069 1.00 5.52 C ATOM 843 O ASN A 50 0.444 12.153 -4.007 1.00 22.35 O ATOM 844 CB ASN A 50 -0.803 14.758 -3.476 1.00 23.31 C ATOM 845 CG ASN A 50 -0.819 15.263 -4.922 1.00 63.22 C ATOM 846 OD1 ASN A 50 -1.760 15.024 -5.669 1.00 5.41 O ATOM 847 ND2 ASN A 50 0.218 15.963 -5.334 1.00 13.10 N ATOM 0 H ASN A 50 -0.669 12.720 -1.471 1.00 33.41 H new ATOM 0 HA ASN A 50 -2.530 13.474 -3.672 1.00 62.02 H new ATOM 0 HB2 ASN A 50 -1.283 15.499 -2.837 1.00 23.31 H new ATOM 0 HB3 ASN A 50 0.231 14.671 -3.142 1.00 23.31 H new ATOM 0 HD21 ASN A 50 0.247 16.317 -6.290 1.00 13.10 H new ATOM 0 HD22 ASN A 50 0.992 16.151 -4.697 1.00 13.10 H new ATOM 854 N ALA A 51 -1.554 11.429 -4.788 1.00 35.22 N ATOM 855 CA ALA A 51 -1.012 10.308 -5.586 1.00 32.33 C ATOM 856 C ALA A 51 -0.994 10.659 -7.092 1.00 14.32 C ATOM 857 O ALA A 51 -2.027 10.592 -7.766 1.00 42.35 O ATOM 858 CB ALA A 51 -1.826 9.031 -5.316 1.00 25.34 C ATOM 0 H ALA A 51 -2.570 11.509 -4.835 1.00 35.22 H new ATOM 0 HA ALA A 51 0.020 10.127 -5.284 1.00 32.33 H new ATOM 0 HB1 ALA A 51 -1.421 8.210 -5.907 1.00 25.34 H new ATOM 0 HB2 ALA A 51 -1.767 8.779 -4.257 1.00 25.34 H new ATOM 0 HB3 ALA A 51 -2.867 9.198 -5.592 1.00 25.34 H new ATOM 864 N THR A 52 0.197 11.037 -7.600 1.00 64.35 N ATOM 865 CA THR A 52 0.400 11.455 -9.014 1.00 71.51 C ATOM 866 C THR A 52 1.907 11.389 -9.383 1.00 62.21 C ATOM 867 O THR A 52 2.718 10.915 -8.582 1.00 2.33 O ATOM 868 CB THR A 52 -0.169 12.901 -9.258 1.00 63.22 C ATOM 869 OG1 THR A 52 -0.082 13.263 -10.647 1.00 24.12 O ATOM 870 CG2 THR A 52 0.551 13.963 -8.405 1.00 22.24 C ATOM 0 H THR A 52 1.052 11.063 -7.044 1.00 64.35 H new ATOM 0 HA THR A 52 -0.146 10.766 -9.658 1.00 71.51 H new ATOM 0 HB THR A 52 -1.216 12.875 -8.955 1.00 63.22 H new ATOM 0 HG1 THR A 52 -0.443 14.165 -10.773 1.00 24.12 H new ATOM 0 HG21 THR A 52 0.123 14.945 -8.609 1.00 22.24 H new ATOM 0 HG22 THR A 52 0.428 13.726 -7.348 1.00 22.24 H new ATOM 0 HG23 THR A 52 1.612 13.971 -8.654 1.00 22.24 H new ATOM 878 N LYS A 53 2.276 11.830 -10.609 1.00 62.52 N ATOM 879 CA LYS A 53 3.699 11.989 -10.998 1.00 1.24 C ATOM 880 C LYS A 53 4.347 13.129 -10.170 1.00 63.02 C ATOM 881 O LYS A 53 4.031 14.302 -10.377 1.00 21.23 O ATOM 882 CB LYS A 53 3.883 12.292 -12.520 1.00 20.13 C ATOM 883 CG LYS A 53 3.582 11.137 -13.510 1.00 51.11 C ATOM 884 CD LYS A 53 2.079 10.816 -13.648 1.00 21.11 C ATOM 885 CE LYS A 53 1.766 9.948 -14.882 1.00 52.00 C ATOM 886 NZ LYS A 53 0.304 9.800 -15.114 1.00 63.35 N ATOM 0 H LYS A 53 1.613 12.081 -11.342 1.00 62.52 H new ATOM 0 HA LYS A 53 4.189 11.038 -10.792 1.00 1.24 H new ATOM 0 HB2 LYS A 53 3.241 13.135 -12.777 1.00 20.13 H new ATOM 0 HB3 LYS A 53 4.912 12.615 -12.679 1.00 20.13 H new ATOM 0 HG2 LYS A 53 3.981 11.397 -14.491 1.00 51.11 H new ATOM 0 HG3 LYS A 53 4.107 10.241 -13.180 1.00 51.11 H new ATOM 0 HD2 LYS A 53 1.738 10.300 -12.750 1.00 21.11 H new ATOM 0 HD3 LYS A 53 1.517 11.748 -13.713 1.00 21.11 H new ATOM 0 HE2 LYS A 53 2.228 10.394 -15.763 1.00 52.00 H new ATOM 0 HE3 LYS A 53 2.212 8.962 -14.752 1.00 52.00 H new ATOM 0 HZ1 LYS A 53 0.143 9.141 -15.902 1.00 63.35 H new ATOM 0 HZ2 LYS A 53 -0.148 9.429 -14.254 1.00 63.35 H new ATOM 0 HZ3 LYS A 53 -0.106 10.727 -15.349 1.00 63.35 H new ATOM 900 N GLY A 54 5.236 12.771 -9.231 1.00 12.35 N ATOM 901 CA GLY A 54 5.890 13.756 -8.349 1.00 10.31 C ATOM 902 C GLY A 54 5.008 14.209 -7.180 1.00 24.13 C ATOM 903 O GLY A 54 5.204 15.298 -6.631 1.00 62.23 O ATOM 0 H GLY A 54 5.520 11.806 -9.061 1.00 12.35 H new ATOM 0 HA2 GLY A 54 6.810 13.324 -7.954 1.00 10.31 H new ATOM 0 HA3 GLY A 54 6.174 14.628 -8.939 1.00 10.31 H new ATOM 907 N GLY A 55 4.029 13.366 -6.809 1.00 32.34 N ATOM 908 CA GLY A 55 3.149 13.625 -5.661 1.00 71.12 C ATOM 909 C GLY A 55 3.745 13.159 -4.330 1.00 51.01 C ATOM 910 O GLY A 55 4.844 12.591 -4.297 1.00 51.43 O ATOM 0 H GLY A 55 3.828 12.492 -7.294 1.00 32.34 H new ATOM 0 HA2 GLY A 55 2.940 14.693 -5.605 1.00 71.12 H new ATOM 0 HA3 GLY A 55 2.195 13.122 -5.821 1.00 71.12 H new ATOM 914 N SER A 56 3.017 13.401 -3.228 1.00 74.23 N ATOM 915 CA SER A 56 3.449 12.982 -1.873 1.00 5.33 C ATOM 916 C SER A 56 2.257 12.905 -0.900 1.00 72.12 C ATOM 917 O SER A 56 1.221 13.541 -1.108 1.00 64.43 O ATOM 918 CB SER A 56 4.536 13.934 -1.307 1.00 64.51 C ATOM 919 OG SER A 56 4.060 15.263 -1.149 1.00 4.45 O ATOM 0 H SER A 56 2.120 13.887 -3.244 1.00 74.23 H new ATOM 0 HA SER A 56 3.879 11.985 -1.970 1.00 5.33 H new ATOM 0 HB2 SER A 56 4.880 13.557 -0.344 1.00 64.51 H new ATOM 0 HB3 SER A 56 5.397 13.936 -1.975 1.00 64.51 H new ATOM 0 HG SER A 56 4.776 15.826 -0.789 1.00 4.45 H new ATOM 925 N ALA A 57 2.429 12.123 0.173 1.00 23.43 N ATOM 926 CA ALA A 57 1.403 11.923 1.216 1.00 33.24 C ATOM 927 C ALA A 57 2.068 11.776 2.594 1.00 44.33 C ATOM 928 O ALA A 57 3.160 11.222 2.700 1.00 64.31 O ATOM 929 CB ALA A 57 0.551 10.677 0.903 1.00 61.11 C ATOM 0 H ALA A 57 3.290 11.605 0.347 1.00 23.43 H new ATOM 0 HA ALA A 57 0.750 12.796 1.231 1.00 33.24 H new ATOM 0 HB1 ALA A 57 -0.200 10.545 1.682 1.00 61.11 H new ATOM 0 HB2 ALA A 57 0.056 10.807 -0.060 1.00 61.11 H new ATOM 0 HB3 ALA A 57 1.193 9.797 0.865 1.00 61.11 H new ATOM 935 N PHE A 58 1.401 12.263 3.646 1.00 10.04 N ATOM 936 CA PHE A 58 1.865 12.098 5.040 1.00 54.21 C ATOM 937 C PHE A 58 0.727 11.488 5.875 1.00 11.44 C ATOM 938 O PHE A 58 -0.409 11.961 5.823 1.00 1.25 O ATOM 939 CB PHE A 58 2.349 13.459 5.637 1.00 54.33 C ATOM 940 CG PHE A 58 2.969 13.396 7.051 1.00 2.24 C ATOM 941 CD1 PHE A 58 3.630 12.250 7.518 1.00 2.00 C ATOM 942 CD2 PHE A 58 2.903 14.495 7.911 1.00 25.32 C ATOM 943 CE1 PHE A 58 4.195 12.209 8.781 1.00 34.33 C ATOM 944 CE2 PHE A 58 3.468 14.450 9.177 1.00 35.51 C ATOM 945 CZ PHE A 58 4.110 13.308 9.612 1.00 41.44 C ATOM 0 H PHE A 58 0.527 12.782 3.562 1.00 10.04 H new ATOM 0 HA PHE A 58 2.721 11.424 5.061 1.00 54.21 H new ATOM 0 HB2 PHE A 58 3.085 13.890 4.958 1.00 54.33 H new ATOM 0 HB3 PHE A 58 1.501 14.143 5.664 1.00 54.33 H new ATOM 0 HD1 PHE A 58 3.699 11.382 6.879 1.00 2.00 H new ATOM 0 HD2 PHE A 58 2.403 15.395 7.584 1.00 25.32 H new ATOM 0 HE1 PHE A 58 4.703 11.317 9.116 1.00 34.33 H new ATOM 0 HE2 PHE A 58 3.405 15.312 9.825 1.00 35.51 H new ATOM 0 HZ PHE A 58 4.545 13.274 10.600 1.00 41.44 H new ATOM 955 N TYR A 59 1.048 10.425 6.623 1.00 12.11 N ATOM 956 CA TYR A 59 0.096 9.728 7.507 1.00 43.45 C ATOM 957 C TYR A 59 0.817 9.188 8.763 1.00 75.15 C ATOM 958 O TYR A 59 2.048 9.236 8.855 1.00 72.42 O ATOM 959 CB TYR A 59 -0.639 8.591 6.732 1.00 22.22 C ATOM 960 CG TYR A 59 0.262 7.470 6.168 1.00 41.33 C ATOM 961 CD1 TYR A 59 0.822 7.554 4.884 1.00 0.31 C ATOM 962 CD2 TYR A 59 0.532 6.318 6.914 1.00 12.35 C ATOM 963 CE1 TYR A 59 1.616 6.533 4.377 1.00 2.12 C ATOM 964 CE2 TYR A 59 1.316 5.301 6.409 1.00 2.31 C ATOM 965 CZ TYR A 59 1.855 5.408 5.143 1.00 41.15 C ATOM 966 OH TYR A 59 2.626 4.378 4.644 1.00 70.03 O ATOM 0 H TYR A 59 1.983 10.018 6.634 1.00 12.11 H new ATOM 0 HA TYR A 59 -0.658 10.440 7.841 1.00 43.45 H new ATOM 0 HB2 TYR A 59 -1.374 8.140 7.398 1.00 22.22 H new ATOM 0 HB3 TYR A 59 -1.190 9.038 5.905 1.00 22.22 H new ATOM 0 HD1 TYR A 59 0.632 8.428 4.279 1.00 0.31 H new ATOM 0 HD2 TYR A 59 0.118 6.222 7.907 1.00 12.35 H new ATOM 0 HE1 TYR A 59 2.044 6.618 3.389 1.00 2.12 H new ATOM 0 HE2 TYR A 59 1.508 4.421 7.005 1.00 2.31 H new ATOM 0 HH TYR A 59 3.518 4.716 4.420 1.00 70.03 H new ATOM 976 N ALA A 60 0.038 8.686 9.731 1.00 4.03 N ATOM 977 CA ALA A 60 0.577 8.112 10.980 1.00 31.34 C ATOM 978 C ALA A 60 -0.323 6.981 11.499 1.00 33.20 C ATOM 979 O ALA A 60 -1.535 7.144 11.568 1.00 34.54 O ATOM 980 CB ALA A 60 0.730 9.206 12.056 1.00 62.11 C ATOM 0 H ALA A 60 -0.980 8.664 9.675 1.00 4.03 H new ATOM 0 HA ALA A 60 1.560 7.695 10.761 1.00 31.34 H new ATOM 0 HB1 ALA A 60 1.128 8.765 12.970 1.00 62.11 H new ATOM 0 HB2 ALA A 60 1.413 9.976 11.697 1.00 62.11 H new ATOM 0 HB3 ALA A 60 -0.243 9.652 12.263 1.00 62.11 H new ATOM 986 N ILE A 61 0.280 5.849 11.887 1.00 5.32 N ATOM 987 CA ILE A 61 -0.444 4.722 12.497 1.00 72.01 C ATOM 988 C ILE A 61 -0.792 5.071 13.966 1.00 54.23 C ATOM 989 O ILE A 61 0.079 5.085 14.850 1.00 42.42 O ATOM 990 CB ILE A 61 0.403 3.394 12.437 1.00 71.45 C ATOM 991 CG1 ILE A 61 0.755 3.021 10.958 1.00 2.42 C ATOM 992 CG2 ILE A 61 -0.317 2.218 13.158 1.00 1.24 C ATOM 993 CD1 ILE A 61 -0.447 2.731 10.058 1.00 21.50 C ATOM 0 H ILE A 61 1.282 5.687 11.788 1.00 5.32 H new ATOM 0 HA ILE A 61 -1.361 4.553 11.932 1.00 72.01 H new ATOM 0 HB ILE A 61 1.336 3.576 12.971 1.00 71.45 H new ATOM 0 HG12 ILE A 61 1.328 3.838 10.520 1.00 2.42 H new ATOM 0 HG13 ILE A 61 1.404 2.145 10.965 1.00 2.42 H new ATOM 0 HG21 ILE A 61 0.299 1.321 13.095 1.00 1.24 H new ATOM 0 HG22 ILE A 61 -0.476 2.476 14.205 1.00 1.24 H new ATOM 0 HG23 ILE A 61 -1.279 2.032 12.680 1.00 1.24 H new ATOM 0 HD11 ILE A 61 -0.099 2.483 9.055 1.00 21.50 H new ATOM 0 HD12 ILE A 61 -1.012 1.892 10.464 1.00 21.50 H new ATOM 0 HD13 ILE A 61 -1.088 3.611 10.012 1.00 21.50 H new ATOM 1005 N GLN A 62 -2.069 5.404 14.181 1.00 24.01 N ATOM 1006 CA GLN A 62 -2.605 5.815 15.486 1.00 73.53 C ATOM 1007 C GLN A 62 -3.030 4.555 16.296 1.00 65.40 C ATOM 1008 O GLN A 62 -4.103 3.993 16.067 1.00 54.01 O ATOM 1009 CB GLN A 62 -3.810 6.791 15.248 1.00 53.12 C ATOM 1010 CG GLN A 62 -4.108 7.795 16.388 1.00 24.41 C ATOM 1011 CD GLN A 62 -4.518 7.147 17.711 1.00 45.22 C ATOM 1012 OE1 GLN A 62 -3.547 6.864 18.564 1.00 41.51 O flip ATOM 1013 NE2 GLN A 62 -5.692 6.894 17.962 1.00 72.43 N flip ATOM 0 H GLN A 62 -2.772 5.396 13.442 1.00 24.01 H new ATOM 0 HA GLN A 62 -1.847 6.338 16.069 1.00 73.53 H new ATOM 0 HB2 GLN A 62 -3.620 7.355 14.335 1.00 53.12 H new ATOM 0 HB3 GLN A 62 -4.705 6.195 15.073 1.00 53.12 H new ATOM 0 HG2 GLN A 62 -3.222 8.407 16.557 1.00 24.41 H new ATOM 0 HG3 GLN A 62 -4.903 8.467 16.065 1.00 24.41 H new ATOM 0 HE21 GLN A 62 -6.419 7.124 17.285 1.00 72.43 H new ATOM 0 HE22 GLN A 62 -5.941 6.454 18.848 1.00 72.43 H new ATOM 1022 N ALA A 63 -2.172 4.127 17.239 1.00 72.30 N ATOM 1023 CA ALA A 63 -2.449 2.990 18.153 1.00 45.41 C ATOM 1024 C ALA A 63 -2.387 3.456 19.634 1.00 51.54 C ATOM 1025 O ALA A 63 -1.682 4.429 19.940 1.00 41.01 O ATOM 1026 CB ALA A 63 -1.443 1.844 17.887 1.00 23.13 C ATOM 0 H ALA A 63 -1.261 4.558 17.394 1.00 72.30 H new ATOM 0 HA ALA A 63 -3.455 2.617 17.963 1.00 45.41 H new ATOM 0 HB1 ALA A 63 -1.652 1.013 18.561 1.00 23.13 H new ATOM 0 HB2 ALA A 63 -1.540 1.507 16.855 1.00 23.13 H new ATOM 0 HB3 ALA A 63 -0.428 2.204 18.058 1.00 23.13 H new ATOM 1032 N PRO A 64 -3.123 2.772 20.583 1.00 31.22 N ATOM 1033 CA PRO A 64 -3.103 3.127 22.038 1.00 72.25 C ATOM 1034 C PRO A 64 -1.703 2.971 22.698 1.00 33.11 C ATOM 1035 O PRO A 64 -1.369 3.702 23.634 1.00 2.45 O ATOM 1036 CB PRO A 64 -4.134 2.138 22.665 1.00 14.11 C ATOM 1037 CG PRO A 64 -4.213 1.004 21.686 1.00 15.10 C ATOM 1038 CD PRO A 64 -4.059 1.637 20.324 1.00 1.41 C ATOM 0 HA PRO A 64 -3.347 4.178 22.195 1.00 72.25 H new ATOM 0 HB2 PRO A 64 -3.807 1.793 23.646 1.00 14.11 H new ATOM 0 HB3 PRO A 64 -5.106 2.612 22.802 1.00 14.11 H new ATOM 0 HG2 PRO A 64 -3.427 0.271 21.870 1.00 15.10 H new ATOM 0 HG3 PRO A 64 -5.164 0.479 21.770 1.00 15.10 H new ATOM 0 HD2 PRO A 64 -3.650 0.935 19.597 1.00 1.41 H new ATOM 0 HD3 PRO A 64 -5.014 1.984 19.930 1.00 1.41 H new ATOM 1046 N GLN A 65 -0.898 2.014 22.193 1.00 50.13 N ATOM 1047 CA GLN A 65 0.437 1.686 22.754 1.00 55.33 C ATOM 1048 C GLN A 65 1.592 2.411 22.016 1.00 0.32 C ATOM 1049 O GLN A 65 2.704 2.481 22.546 1.00 24.32 O ATOM 1050 CB GLN A 65 0.657 0.149 22.713 1.00 51.34 C ATOM 1051 CG GLN A 65 -0.362 -0.660 23.550 1.00 55.45 C ATOM 1052 CD GLN A 65 -0.131 -2.174 23.506 1.00 63.22 C ATOM 1053 OE1 GLN A 65 0.988 -2.646 23.351 1.00 25.22 O ATOM 1054 NE2 GLN A 65 -1.186 -2.947 23.648 1.00 62.52 N ATOM 0 H GLN A 65 -1.151 1.445 21.385 1.00 50.13 H new ATOM 0 HA GLN A 65 0.452 2.039 23.785 1.00 55.33 H new ATOM 0 HB2 GLN A 65 0.607 -0.186 21.677 1.00 51.34 H new ATOM 0 HB3 GLN A 65 1.662 -0.073 23.072 1.00 51.34 H new ATOM 0 HG2 GLN A 65 -0.316 -0.324 24.586 1.00 55.45 H new ATOM 0 HG3 GLN A 65 -1.368 -0.444 23.189 1.00 55.45 H new ATOM 0 HE21 GLN A 65 -2.109 -2.532 23.776 1.00 62.52 H new ATOM 0 HE22 GLN A 65 -1.081 -3.961 23.630 1.00 62.52 H new ATOM 1063 N MET A 66 1.321 2.941 20.796 1.00 62.34 N ATOM 1064 CA MET A 66 2.354 3.618 19.959 1.00 21.45 C ATOM 1065 C MET A 66 1.719 4.430 18.800 1.00 22.01 C ATOM 1066 O MET A 66 0.775 3.976 18.161 1.00 0.12 O ATOM 1067 CB MET A 66 3.366 2.580 19.381 1.00 73.32 C ATOM 1068 CG MET A 66 2.740 1.475 18.504 1.00 13.50 C ATOM 1069 SD MET A 66 3.971 0.353 17.804 1.00 33.53 S ATOM 1070 CE MET A 66 4.969 1.487 16.833 1.00 33.42 C ATOM 0 H MET A 66 0.396 2.914 20.367 1.00 62.34 H new ATOM 0 HA MET A 66 2.884 4.314 20.610 1.00 21.45 H new ATOM 0 HB2 MET A 66 4.112 3.112 18.790 1.00 73.32 H new ATOM 0 HB3 MET A 66 3.893 2.109 20.211 1.00 73.32 H new ATOM 0 HG2 MET A 66 2.031 0.902 19.101 1.00 13.50 H new ATOM 0 HG3 MET A 66 2.175 1.937 17.695 1.00 13.50 H new ATOM 0 HE1 MET A 66 5.240 1.016 15.888 1.00 33.42 H new ATOM 0 HE2 MET A 66 4.400 2.395 16.636 1.00 33.42 H new ATOM 0 HE3 MET A 66 5.874 1.739 17.385 1.00 33.42 H new ATOM 1080 N ILE A 67 2.242 5.641 18.530 1.00 64.54 N ATOM 1081 CA ILE A 67 1.820 6.460 17.366 1.00 43.32 C ATOM 1082 C ILE A 67 3.043 6.690 16.452 1.00 44.30 C ATOM 1083 O ILE A 67 3.963 7.438 16.803 1.00 63.55 O ATOM 1084 CB ILE A 67 1.180 7.830 17.830 1.00 11.44 C ATOM 1085 CG1 ILE A 67 -0.023 7.561 18.801 1.00 13.43 C ATOM 1086 CG2 ILE A 67 0.738 8.690 16.613 1.00 75.44 C ATOM 1087 CD1 ILE A 67 -0.669 8.798 19.407 1.00 2.12 C ATOM 0 H ILE A 67 2.962 6.080 19.103 1.00 64.54 H new ATOM 0 HA ILE A 67 1.049 5.928 16.809 1.00 43.32 H new ATOM 0 HB ILE A 67 1.939 8.399 18.367 1.00 11.44 H new ATOM 0 HG12 ILE A 67 -0.786 7.003 18.259 1.00 13.43 H new ATOM 0 HG13 ILE A 67 0.324 6.920 19.612 1.00 13.43 H new ATOM 0 HG21 ILE A 67 0.302 9.624 16.967 1.00 75.44 H new ATOM 0 HG22 ILE A 67 1.604 8.907 15.987 1.00 75.44 H new ATOM 0 HG23 ILE A 67 -0.003 8.142 16.030 1.00 75.44 H new ATOM 0 HD11 ILE A 67 -1.488 8.498 20.061 1.00 2.12 H new ATOM 0 HD12 ILE A 67 0.073 9.350 19.984 1.00 2.12 H new ATOM 0 HD13 ILE A 67 -1.055 9.434 18.610 1.00 2.12 H new ATOM 1099 N SER A 68 3.051 6.022 15.284 1.00 51.32 N ATOM 1100 CA SER A 68 4.226 5.980 14.373 1.00 14.42 C ATOM 1101 C SER A 68 3.942 6.724 13.053 1.00 65.10 C ATOM 1102 O SER A 68 2.899 6.530 12.460 1.00 22.01 O ATOM 1103 CB SER A 68 4.594 4.509 14.079 1.00 30.45 C ATOM 1104 OG SER A 68 5.750 4.421 13.267 1.00 71.45 O ATOM 0 H SER A 68 2.249 5.495 14.939 1.00 51.32 H new ATOM 0 HA SER A 68 5.060 6.480 14.865 1.00 14.42 H new ATOM 0 HB2 SER A 68 4.764 3.980 15.017 1.00 30.45 H new ATOM 0 HB3 SER A 68 3.759 4.015 13.582 1.00 30.45 H new ATOM 0 HG SER A 68 5.942 3.480 13.072 1.00 71.45 H new ATOM 1110 N TYR A 69 4.900 7.541 12.584 1.00 61.13 N ATOM 1111 CA TYR A 69 4.708 8.459 11.418 1.00 34.41 C ATOM 1112 C TYR A 69 5.420 7.927 10.148 1.00 72.21 C ATOM 1113 O TYR A 69 6.465 7.275 10.246 1.00 24.31 O ATOM 1114 CB TYR A 69 5.227 9.880 11.780 1.00 21.54 C ATOM 1115 CG TYR A 69 4.582 10.462 13.054 1.00 11.31 C ATOM 1116 CD1 TYR A 69 4.998 10.045 14.321 1.00 41.23 C ATOM 1117 CD2 TYR A 69 3.539 11.393 12.993 1.00 51.04 C ATOM 1118 CE1 TYR A 69 4.412 10.526 15.466 1.00 41.14 C ATOM 1119 CE2 TYR A 69 2.945 11.875 14.146 1.00 12.21 C ATOM 1120 CZ TYR A 69 3.386 11.440 15.378 1.00 71.14 C ATOM 1121 OH TYR A 69 2.789 11.915 16.528 1.00 24.41 O ATOM 0 H TYR A 69 5.833 7.593 12.993 1.00 61.13 H new ATOM 0 HA TYR A 69 3.642 8.509 11.195 1.00 34.41 H new ATOM 0 HB2 TYR A 69 6.308 9.840 11.915 1.00 21.54 H new ATOM 0 HB3 TYR A 69 5.034 10.553 10.944 1.00 21.54 H new ATOM 0 HD1 TYR A 69 5.800 9.327 14.402 1.00 41.23 H new ATOM 0 HD2 TYR A 69 3.192 11.741 12.031 1.00 51.04 H new ATOM 0 HE1 TYR A 69 4.755 10.188 16.433 1.00 41.14 H new ATOM 0 HE2 TYR A 69 2.138 12.590 14.081 1.00 12.21 H new ATOM 0 HH TYR A 69 2.084 12.553 16.291 1.00 24.41 H new ATOM 1131 N THR A 70 4.845 8.213 8.953 1.00 53.42 N ATOM 1132 CA THR A 70 5.385 7.737 7.649 1.00 35.50 C ATOM 1133 C THR A 70 4.959 8.672 6.481 1.00 4.32 C ATOM 1134 O THR A 70 3.806 9.101 6.410 1.00 24.33 O ATOM 1135 CB THR A 70 4.927 6.268 7.326 1.00 32.52 C ATOM 1136 OG1 THR A 70 5.316 5.365 8.379 1.00 3.14 O ATOM 1137 CG2 THR A 70 5.515 5.762 5.998 1.00 71.51 C ATOM 0 H THR A 70 3.999 8.776 8.863 1.00 53.42 H new ATOM 0 HA THR A 70 6.471 7.753 7.744 1.00 35.50 H new ATOM 0 HB THR A 70 3.841 6.293 7.242 1.00 32.52 H new ATOM 0 HG1 THR A 70 5.020 4.457 8.158 1.00 3.14 H new ATOM 0 HG21 THR A 70 5.173 4.744 5.813 1.00 71.51 H new ATOM 0 HG22 THR A 70 5.186 6.408 5.184 1.00 71.51 H new ATOM 0 HG23 THR A 70 6.604 5.775 6.054 1.00 71.51 H new ATOM 1145 N ILE A 71 5.906 8.963 5.560 1.00 73.54 N ATOM 1146 CA ILE A 71 5.677 9.815 4.365 1.00 31.03 C ATOM 1147 C ILE A 71 5.878 8.983 3.066 1.00 44.12 C ATOM 1148 O ILE A 71 6.946 8.400 2.873 1.00 14.33 O ATOM 1149 CB ILE A 71 6.685 11.033 4.349 1.00 71.13 C ATOM 1150 CG1 ILE A 71 6.674 11.792 5.715 1.00 44.11 C ATOM 1151 CG2 ILE A 71 6.365 12.004 3.184 1.00 61.22 C ATOM 1152 CD1 ILE A 71 7.751 12.852 5.875 1.00 14.53 C ATOM 0 H ILE A 71 6.861 8.611 5.624 1.00 73.54 H new ATOM 0 HA ILE A 71 4.655 10.190 4.410 1.00 31.03 H new ATOM 0 HB ILE A 71 7.686 10.631 4.193 1.00 71.13 H new ATOM 0 HG12 ILE A 71 5.700 12.265 5.842 1.00 44.11 H new ATOM 0 HG13 ILE A 71 6.782 11.063 6.518 1.00 44.11 H new ATOM 0 HG21 ILE A 71 7.073 12.833 3.196 1.00 61.22 H new ATOM 0 HG22 ILE A 71 6.444 11.473 2.235 1.00 61.22 H new ATOM 0 HG23 ILE A 71 5.352 12.390 3.300 1.00 61.22 H new ATOM 0 HD11 ILE A 71 7.658 13.320 6.855 1.00 14.53 H new ATOM 0 HD12 ILE A 71 8.734 12.389 5.786 1.00 14.53 H new ATOM 0 HD13 ILE A 71 7.635 13.609 5.099 1.00 14.53 H new ATOM 1164 N ALA A 72 4.863 8.940 2.178 1.00 63.25 N ATOM 1165 CA ALA A 72 4.954 8.229 0.878 1.00 14.32 C ATOM 1166 C ALA A 72 5.155 9.227 -0.299 1.00 31.20 C ATOM 1167 O ALA A 72 4.293 10.064 -0.555 1.00 23.31 O ATOM 1168 CB ALA A 72 3.688 7.371 0.672 1.00 13.22 C ATOM 0 H ALA A 72 3.963 9.392 2.336 1.00 63.25 H new ATOM 0 HA ALA A 72 5.826 7.575 0.894 1.00 14.32 H new ATOM 0 HB1 ALA A 72 3.754 6.849 -0.282 1.00 13.22 H new ATOM 0 HB2 ALA A 72 3.606 6.643 1.479 1.00 13.22 H new ATOM 0 HB3 ALA A 72 2.808 8.014 0.673 1.00 13.22 H new ATOM 1174 N GLU A 73 6.293 9.118 -1.016 1.00 43.20 N ATOM 1175 CA GLU A 73 6.615 9.980 -2.182 1.00 2.51 C ATOM 1176 C GLU A 73 6.230 9.276 -3.499 1.00 21.34 C ATOM 1177 O GLU A 73 6.908 8.340 -3.909 1.00 34.24 O ATOM 1178 CB GLU A 73 8.148 10.266 -2.191 1.00 73.32 C ATOM 1179 CG GLU A 73 8.689 10.976 -0.937 1.00 21.24 C ATOM 1180 CD GLU A 73 8.152 12.407 -0.775 1.00 34.11 C ATOM 1181 OE1 GLU A 73 8.619 13.315 -1.502 1.00 30.32 O ATOM 1182 OE2 GLU A 73 7.273 12.639 0.081 1.00 41.13 O ATOM 0 H GLU A 73 7.017 8.431 -0.806 1.00 43.20 H new ATOM 0 HA GLU A 73 6.052 10.910 -2.101 1.00 2.51 H new ATOM 0 HB2 GLU A 73 8.677 9.321 -2.311 1.00 73.32 H new ATOM 0 HB3 GLU A 73 8.383 10.875 -3.064 1.00 73.32 H new ATOM 0 HG2 GLU A 73 8.425 10.393 -0.055 1.00 21.24 H new ATOM 0 HG3 GLU A 73 9.778 11.006 -0.985 1.00 21.24 H new ATOM 1189 N TYR A 74 5.197 9.771 -4.190 1.00 12.02 N ATOM 1190 CA TYR A 74 4.685 9.146 -5.436 1.00 31.12 C ATOM 1191 C TYR A 74 5.454 9.670 -6.670 1.00 64.41 C ATOM 1192 O TYR A 74 5.302 10.828 -7.041 1.00 21.32 O ATOM 1193 CB TYR A 74 3.158 9.402 -5.583 1.00 21.03 C ATOM 1194 CG TYR A 74 2.311 8.821 -4.432 1.00 11.10 C ATOM 1195 CD1 TYR A 74 2.199 9.499 -3.218 1.00 72.13 C ATOM 1196 CD2 TYR A 74 1.632 7.597 -4.553 1.00 52.20 C ATOM 1197 CE1 TYR A 74 1.455 8.988 -2.176 1.00 63.21 C ATOM 1198 CE2 TYR A 74 0.881 7.086 -3.506 1.00 64.02 C ATOM 1199 CZ TYR A 74 0.798 7.786 -2.321 1.00 20.02 C ATOM 1200 OH TYR A 74 0.057 7.283 -1.271 1.00 65.45 O ATOM 0 H TYR A 74 4.688 10.610 -3.912 1.00 12.02 H new ATOM 0 HA TYR A 74 4.847 8.070 -5.373 1.00 31.12 H new ATOM 0 HB2 TYR A 74 2.984 10.476 -5.642 1.00 21.03 H new ATOM 0 HB3 TYR A 74 2.817 8.972 -6.525 1.00 21.03 H new ATOM 0 HD1 TYR A 74 2.706 10.444 -3.092 1.00 72.13 H new ATOM 0 HD2 TYR A 74 1.696 7.044 -5.479 1.00 52.20 H new ATOM 0 HE1 TYR A 74 1.387 9.531 -1.245 1.00 63.21 H new ATOM 0 HE2 TYR A 74 0.364 6.145 -3.618 1.00 64.02 H new ATOM 0 HH TYR A 74 -0.887 7.514 -1.397 1.00 65.45 H new ATOM 1210 N LEU A 75 6.282 8.805 -7.298 1.00 73.23 N ATOM 1211 CA LEU A 75 7.131 9.197 -8.455 1.00 23.42 C ATOM 1212 C LEU A 75 6.296 9.238 -9.753 1.00 4.04 C ATOM 1213 O LEU A 75 6.285 10.244 -10.462 1.00 14.45 O ATOM 1214 CB LEU A 75 8.346 8.238 -8.647 1.00 3.44 C ATOM 1215 CG LEU A 75 9.338 8.070 -7.447 1.00 63.35 C ATOM 1216 CD1 LEU A 75 9.729 9.428 -6.830 1.00 61.04 C ATOM 1217 CD2 LEU A 75 8.795 7.089 -6.388 1.00 61.51 C ATOM 0 H LEU A 75 6.383 7.827 -7.025 1.00 73.23 H new ATOM 0 HA LEU A 75 7.519 10.192 -8.238 1.00 23.42 H new ATOM 0 HB2 LEU A 75 7.958 7.252 -8.902 1.00 3.44 H new ATOM 0 HB3 LEU A 75 8.917 8.588 -9.507 1.00 3.44 H new ATOM 0 HG LEU A 75 10.252 7.631 -7.847 1.00 63.35 H new ATOM 0 HD11 LEU A 75 10.418 9.266 -6.001 1.00 61.04 H new ATOM 0 HD12 LEU A 75 10.211 10.046 -7.587 1.00 61.04 H new ATOM 0 HD13 LEU A 75 8.835 9.933 -6.465 1.00 61.04 H new ATOM 0 HD21 LEU A 75 9.513 7.000 -5.572 1.00 61.51 H new ATOM 0 HD22 LEU A 75 7.848 7.462 -5.999 1.00 61.51 H new ATOM 0 HD23 LEU A 75 8.641 6.111 -6.843 1.00 61.51 H new ATOM 1229 N GLN A 76 5.626 8.111 -10.071 1.00 74.02 N ATOM 1230 CA GLN A 76 4.698 8.004 -11.224 1.00 3.50 C ATOM 1231 C GLN A 76 3.437 7.211 -10.834 1.00 21.30 C ATOM 1232 O GLN A 76 3.512 6.027 -10.511 1.00 12.14 O ATOM 1233 CB GLN A 76 5.387 7.292 -12.430 1.00 25.04 C ATOM 1234 CG GLN A 76 6.508 8.094 -13.121 1.00 41.34 C ATOM 1235 CD GLN A 76 7.321 7.262 -14.126 1.00 53.41 C ATOM 1236 OE1 GLN A 76 6.815 6.328 -14.737 1.00 61.43 O ATOM 1237 NE2 GLN A 76 8.585 7.590 -14.305 1.00 54.54 N ATOM 0 H GLN A 76 5.711 7.246 -9.537 1.00 74.02 H new ATOM 0 HA GLN A 76 4.419 9.017 -11.514 1.00 3.50 H new ATOM 0 HB2 GLN A 76 5.802 6.346 -12.082 1.00 25.04 H new ATOM 0 HB3 GLN A 76 4.625 7.052 -13.172 1.00 25.04 H new ATOM 0 HG2 GLN A 76 6.069 8.947 -13.638 1.00 41.34 H new ATOM 0 HG3 GLN A 76 7.181 8.493 -12.362 1.00 41.34 H new ATOM 0 HE21 GLN A 76 8.988 8.371 -13.787 1.00 54.54 H new ATOM 0 HE22 GLN A 76 9.161 7.063 -14.962 1.00 54.54 H new ATOM 1246 N VAL A 77 2.273 7.865 -10.873 1.00 54.44 N ATOM 1247 CA VAL A 77 0.967 7.171 -10.807 1.00 53.11 C ATOM 1248 C VAL A 77 0.275 7.384 -12.163 1.00 72.32 C ATOM 1249 O VAL A 77 -0.138 8.505 -12.493 1.00 71.13 O ATOM 1250 CB VAL A 77 0.082 7.697 -9.614 1.00 32.33 C ATOM 1251 CG1 VAL A 77 -1.251 6.916 -9.504 1.00 32.30 C ATOM 1252 CG2 VAL A 77 0.874 7.639 -8.281 1.00 72.12 C ATOM 0 H VAL A 77 2.200 8.879 -10.950 1.00 54.44 H new ATOM 0 HA VAL A 77 1.113 6.108 -10.615 1.00 53.11 H new ATOM 0 HB VAL A 77 -0.169 8.738 -9.820 1.00 32.33 H new ATOM 0 HG11 VAL A 77 -1.834 7.307 -8.670 1.00 32.30 H new ATOM 0 HG12 VAL A 77 -1.817 7.031 -10.428 1.00 32.30 H new ATOM 0 HG13 VAL A 77 -1.041 5.860 -9.336 1.00 32.30 H new ATOM 0 HG21 VAL A 77 0.247 8.006 -7.469 1.00 72.12 H new ATOM 0 HG22 VAL A 77 1.167 6.609 -8.076 1.00 72.12 H new ATOM 0 HG23 VAL A 77 1.766 8.261 -8.360 1.00 72.12 H new ATOM 1262 N ASP A 78 0.180 6.305 -12.954 1.00 63.41 N ATOM 1263 CA ASP A 78 -0.188 6.369 -14.380 1.00 21.13 C ATOM 1264 C ASP A 78 -1.282 5.327 -14.694 1.00 14.50 C ATOM 1265 O ASP A 78 -0.991 4.120 -14.748 1.00 71.15 O ATOM 1266 CB ASP A 78 1.078 6.133 -15.248 1.00 51.41 C ATOM 1267 CG ASP A 78 0.843 6.413 -16.737 1.00 63.51 C ATOM 1268 OD1 ASP A 78 0.854 7.599 -17.126 1.00 43.20 O ATOM 1269 OD2 ASP A 78 0.645 5.467 -17.523 1.00 40.34 O ATOM 0 H ASP A 78 0.357 5.357 -12.622 1.00 63.41 H new ATOM 0 HA ASP A 78 -0.591 7.355 -14.612 1.00 21.13 H new ATOM 0 HB2 ASP A 78 1.884 6.772 -14.887 1.00 51.41 H new ATOM 0 HB3 ASP A 78 1.409 5.102 -15.125 1.00 51.41 H new ATOM 1274 N ALA A 79 -2.540 5.818 -14.861 1.00 15.31 N ATOM 1275 CA ALA A 79 -3.742 4.984 -15.127 1.00 42.11 C ATOM 1276 C ALA A 79 -4.093 4.048 -13.917 1.00 72.31 C ATOM 1277 O ALA A 79 -3.306 3.933 -12.968 1.00 10.24 O ATOM 1278 CB ALA A 79 -3.556 4.196 -16.452 1.00 24.42 C ATOM 0 H ALA A 79 -2.749 6.815 -14.814 1.00 15.31 H new ATOM 0 HA ALA A 79 -4.600 5.646 -15.245 1.00 42.11 H new ATOM 0 HB1 ALA A 79 -4.440 3.587 -16.640 1.00 24.42 H new ATOM 0 HB2 ALA A 79 -3.415 4.896 -17.275 1.00 24.42 H new ATOM 0 HB3 ALA A 79 -2.681 3.550 -16.372 1.00 24.42 H new ATOM 1284 N PRO A 80 -5.291 3.356 -13.905 1.00 71.44 N ATOM 1285 CA PRO A 80 -5.583 2.273 -12.910 1.00 24.21 C ATOM 1286 C PRO A 80 -4.699 0.985 -13.043 1.00 23.35 C ATOM 1287 O PRO A 80 -4.984 -0.033 -12.404 1.00 45.20 O ATOM 1288 CB PRO A 80 -7.091 1.957 -13.159 1.00 4.40 C ATOM 1289 CG PRO A 80 -7.625 3.158 -13.881 1.00 64.22 C ATOM 1290 CD PRO A 80 -6.486 3.637 -14.749 1.00 33.24 C ATOM 0 HA PRO A 80 -5.352 2.609 -11.899 1.00 24.21 H new ATOM 0 HB2 PRO A 80 -7.212 1.052 -13.755 1.00 4.40 H new ATOM 0 HB3 PRO A 80 -7.620 1.793 -12.220 1.00 4.40 H new ATOM 0 HG2 PRO A 80 -8.497 2.901 -14.482 1.00 64.22 H new ATOM 0 HG3 PRO A 80 -7.938 3.932 -13.180 1.00 64.22 H new ATOM 0 HD2 PRO A 80 -6.447 3.102 -15.698 1.00 33.24 H new ATOM 0 HD3 PRO A 80 -6.575 4.697 -14.985 1.00 33.24 H new ATOM 1298 N TYR A 81 -3.618 1.048 -13.852 1.00 32.32 N ATOM 1299 CA TYR A 81 -2.783 -0.123 -14.216 1.00 42.32 C ATOM 1300 C TYR A 81 -1.321 0.008 -13.708 1.00 22.50 C ATOM 1301 O TYR A 81 -0.541 -0.946 -13.833 1.00 25.22 O ATOM 1302 CB TYR A 81 -2.813 -0.287 -15.762 1.00 35.35 C ATOM 1303 CG TYR A 81 -4.236 -0.447 -16.336 1.00 55.13 C ATOM 1304 CD1 TYR A 81 -4.867 -1.695 -16.366 1.00 30.20 C ATOM 1305 CD2 TYR A 81 -4.957 0.653 -16.819 1.00 32.11 C ATOM 1306 CE1 TYR A 81 -6.152 -1.838 -16.851 1.00 41.51 C ATOM 1307 CE2 TYR A 81 -6.243 0.512 -17.307 1.00 51.24 C ATOM 1308 CZ TYR A 81 -6.836 -0.734 -17.322 1.00 34.41 C ATOM 1309 OH TYR A 81 -8.118 -0.878 -17.811 1.00 74.24 O ATOM 0 H TYR A 81 -3.296 1.919 -14.275 1.00 32.32 H new ATOM 0 HA TYR A 81 -3.196 -1.007 -13.731 1.00 42.32 H new ATOM 0 HB2 TYR A 81 -2.340 0.581 -16.221 1.00 35.35 H new ATOM 0 HB3 TYR A 81 -2.218 -1.157 -16.039 1.00 35.35 H new ATOM 0 HD1 TYR A 81 -4.339 -2.564 -16.003 1.00 30.20 H new ATOM 0 HD2 TYR A 81 -4.499 1.631 -16.810 1.00 32.11 H new ATOM 0 HE1 TYR A 81 -6.621 -2.811 -16.862 1.00 41.51 H new ATOM 0 HE2 TYR A 81 -6.781 1.373 -17.675 1.00 51.24 H new ATOM 0 HH TYR A 81 -8.457 -0.006 -18.101 1.00 74.24 H new ATOM 1319 N TYR A 82 -0.953 1.185 -13.138 1.00 11.41 N ATOM 1320 CA TYR A 82 0.420 1.440 -12.621 1.00 24.43 C ATOM 1321 C TYR A 82 0.438 2.546 -11.531 1.00 11.45 C ATOM 1322 O TYR A 82 -0.079 3.643 -11.734 1.00 41.14 O ATOM 1323 CB TYR A 82 1.378 1.816 -13.786 1.00 54.20 C ATOM 1324 CG TYR A 82 2.836 2.108 -13.364 1.00 3.15 C ATOM 1325 CD1 TYR A 82 3.646 1.107 -12.815 1.00 32.45 C ATOM 1326 CD2 TYR A 82 3.404 3.380 -13.526 1.00 4.25 C ATOM 1327 CE1 TYR A 82 4.957 1.365 -12.448 1.00 43.34 C ATOM 1328 CE2 TYR A 82 4.713 3.636 -13.159 1.00 15.53 C ATOM 1329 CZ TYR A 82 5.484 2.629 -12.622 1.00 30.32 C ATOM 1330 OH TYR A 82 6.793 2.884 -12.270 1.00 51.24 O ATOM 0 H TYR A 82 -1.589 1.975 -13.024 1.00 11.41 H new ATOM 0 HA TYR A 82 0.767 0.517 -12.156 1.00 24.43 H new ATOM 0 HB2 TYR A 82 1.381 1.002 -14.511 1.00 54.20 H new ATOM 0 HB3 TYR A 82 0.980 2.694 -14.295 1.00 54.20 H new ATOM 0 HD1 TYR A 82 3.242 0.115 -12.675 1.00 32.45 H new ATOM 0 HD2 TYR A 82 2.807 4.176 -13.946 1.00 4.25 H new ATOM 0 HE1 TYR A 82 5.565 0.579 -12.027 1.00 43.34 H new ATOM 0 HE2 TYR A 82 5.129 4.623 -13.293 1.00 15.53 H new ATOM 0 HH TYR A 82 7.005 3.822 -12.457 1.00 51.24 H new ATOM 1340 N ILE A 83 1.032 2.216 -10.363 1.00 10.22 N ATOM 1341 CA ILE A 83 1.295 3.162 -9.248 1.00 42.54 C ATOM 1342 C ILE A 83 2.769 2.979 -8.791 1.00 21.04 C ATOM 1343 O ILE A 83 3.271 1.857 -8.790 1.00 64.12 O ATOM 1344 CB ILE A 83 0.337 2.943 -7.991 1.00 3.43 C ATOM 1345 CG1 ILE A 83 -1.194 2.999 -8.366 1.00 22.13 C ATOM 1346 CG2 ILE A 83 0.660 3.957 -6.855 1.00 62.43 C ATOM 1347 CD1 ILE A 83 -1.778 1.705 -8.933 1.00 74.23 C ATOM 0 H ILE A 83 1.349 1.268 -10.162 1.00 10.22 H new ATOM 0 HA ILE A 83 1.102 4.168 -9.622 1.00 42.54 H new ATOM 0 HB ILE A 83 0.536 1.934 -7.629 1.00 3.43 H new ATOM 0 HG12 ILE A 83 -1.759 3.273 -7.475 1.00 22.13 H new ATOM 0 HG13 ILE A 83 -1.343 3.795 -9.095 1.00 22.13 H new ATOM 0 HG21 ILE A 83 -0.009 3.784 -6.012 1.00 62.43 H new ATOM 0 HG22 ILE A 83 1.693 3.825 -6.532 1.00 62.43 H new ATOM 0 HG23 ILE A 83 0.522 4.973 -7.224 1.00 62.43 H new ATOM 0 HD11 ILE A 83 -2.835 1.850 -9.157 1.00 74.23 H new ATOM 0 HD12 ILE A 83 -1.247 1.435 -9.846 1.00 74.23 H new ATOM 0 HD13 ILE A 83 -1.669 0.905 -8.200 1.00 74.23 H new ATOM 1359 N GLU A 84 3.455 4.076 -8.418 1.00 63.13 N ATOM 1360 CA GLU A 84 4.861 4.036 -7.925 1.00 64.24 C ATOM 1361 C GLU A 84 5.070 5.041 -6.767 1.00 1.14 C ATOM 1362 O GLU A 84 4.693 6.211 -6.901 1.00 41.54 O ATOM 1363 CB GLU A 84 5.821 4.350 -9.108 1.00 1.12 C ATOM 1364 CG GLU A 84 7.317 4.473 -8.748 1.00 50.23 C ATOM 1365 CD GLU A 84 8.215 4.702 -9.979 1.00 52.32 C ATOM 1366 OE1 GLU A 84 7.945 5.639 -10.752 1.00 40.03 O ATOM 1367 OE2 GLU A 84 9.190 3.945 -10.180 1.00 64.51 O ATOM 0 H GLU A 84 3.059 5.016 -8.447 1.00 63.13 H new ATOM 0 HA GLU A 84 5.078 3.041 -7.536 1.00 64.24 H new ATOM 0 HB2 GLU A 84 5.711 3.566 -9.858 1.00 1.12 H new ATOM 0 HB3 GLU A 84 5.501 5.283 -9.572 1.00 1.12 H new ATOM 0 HG2 GLU A 84 7.450 5.299 -8.049 1.00 50.23 H new ATOM 0 HG3 GLU A 84 7.637 3.566 -8.235 1.00 50.23 H new ATOM 1374 N TYR A 85 5.677 4.589 -5.637 1.00 31.30 N ATOM 1375 CA TYR A 85 5.995 5.473 -4.482 1.00 73.41 C ATOM 1376 C TYR A 85 7.193 4.971 -3.620 1.00 53.04 C ATOM 1377 O TYR A 85 7.673 3.841 -3.774 1.00 33.33 O ATOM 1378 CB TYR A 85 4.740 5.719 -3.587 1.00 53.43 C ATOM 1379 CG TYR A 85 4.125 4.469 -2.919 1.00 30.43 C ATOM 1380 CD1 TYR A 85 3.145 3.710 -3.568 1.00 72.41 C ATOM 1381 CD2 TYR A 85 4.513 4.064 -1.633 1.00 23.12 C ATOM 1382 CE1 TYR A 85 2.582 2.601 -2.964 1.00 24.10 C ATOM 1383 CE2 TYR A 85 3.948 2.953 -1.029 1.00 11.41 C ATOM 1384 CZ TYR A 85 2.983 2.226 -1.698 1.00 52.14 C ATOM 1385 OH TYR A 85 2.416 1.113 -1.106 1.00 65.44 O ATOM 0 H TYR A 85 5.956 3.617 -5.501 1.00 31.30 H new ATOM 0 HA TYR A 85 6.307 6.421 -4.920 1.00 73.41 H new ATOM 0 HB2 TYR A 85 5.011 6.428 -2.804 1.00 53.43 H new ATOM 0 HB3 TYR A 85 3.972 6.195 -4.197 1.00 53.43 H new ATOM 0 HD1 TYR A 85 2.823 3.995 -4.558 1.00 72.41 H new ATOM 0 HD2 TYR A 85 5.266 4.629 -1.104 1.00 23.12 H new ATOM 0 HE1 TYR A 85 1.828 2.028 -3.483 1.00 24.10 H new ATOM 0 HE2 TYR A 85 4.261 2.656 -0.039 1.00 11.41 H new ATOM 0 HH TYR A 85 2.806 0.981 -0.216 1.00 65.44 H new ATOM 1395 N LEU A 86 7.656 5.864 -2.709 1.00 55.51 N ATOM 1396 CA LEU A 86 8.748 5.609 -1.736 1.00 24.25 C ATOM 1397 C LEU A 86 8.213 5.759 -0.295 1.00 40.32 C ATOM 1398 O LEU A 86 7.715 6.819 0.064 1.00 24.53 O ATOM 1399 CB LEU A 86 9.902 6.630 -1.945 1.00 23.14 C ATOM 1400 CG LEU A 86 10.685 6.536 -3.284 1.00 75.33 C ATOM 1401 CD1 LEU A 86 11.667 7.719 -3.447 1.00 74.34 C ATOM 1402 CD2 LEU A 86 11.423 5.188 -3.400 1.00 54.41 C ATOM 0 H LEU A 86 7.270 6.805 -2.629 1.00 55.51 H new ATOM 0 HA LEU A 86 9.120 4.596 -1.893 1.00 24.25 H new ATOM 0 HB2 LEU A 86 9.486 7.634 -1.864 1.00 23.14 H new ATOM 0 HB3 LEU A 86 10.612 6.512 -1.127 1.00 23.14 H new ATOM 0 HG LEU A 86 9.959 6.594 -4.095 1.00 75.33 H new ATOM 0 HD11 LEU A 86 12.199 7.623 -4.394 1.00 74.34 H new ATOM 0 HD12 LEU A 86 11.112 8.657 -3.436 1.00 74.34 H new ATOM 0 HD13 LEU A 86 12.384 7.712 -2.626 1.00 74.34 H new ATOM 0 HD21 LEU A 86 11.963 5.149 -4.346 1.00 54.41 H new ATOM 0 HD22 LEU A 86 12.129 5.087 -2.575 1.00 54.41 H new ATOM 0 HD23 LEU A 86 10.700 4.373 -3.361 1.00 54.41 H new ATOM 1414 N ASP A 87 8.361 4.723 0.529 1.00 3.12 N ATOM 1415 CA ASP A 87 7.880 4.718 1.920 1.00 1.52 C ATOM 1416 C ASP A 87 9.049 5.106 2.872 1.00 54.04 C ATOM 1417 O ASP A 87 10.000 4.338 3.062 1.00 33.13 O ATOM 1418 CB ASP A 87 7.303 3.309 2.234 1.00 24.43 C ATOM 1419 CG ASP A 87 6.520 3.237 3.551 1.00 61.35 C ATOM 1420 OD1 ASP A 87 5.312 3.566 3.548 1.00 44.40 O ATOM 1421 OD2 ASP A 87 7.110 2.856 4.591 1.00 31.04 O ATOM 0 H ASP A 87 8.820 3.855 0.254 1.00 3.12 H new ATOM 0 HA ASP A 87 7.087 5.451 2.068 1.00 1.52 H new ATOM 0 HB2 ASP A 87 6.649 3.005 1.417 1.00 24.43 H new ATOM 0 HB3 ASP A 87 8.123 2.591 2.270 1.00 24.43 H new ATOM 1426 N TYR A 88 8.992 6.331 3.416 1.00 24.43 N ATOM 1427 CA TYR A 88 9.983 6.853 4.382 1.00 1.50 C ATOM 1428 C TYR A 88 9.406 6.817 5.812 1.00 53.31 C ATOM 1429 O TYR A 88 8.392 7.459 6.083 1.00 10.21 O ATOM 1430 CB TYR A 88 10.380 8.317 4.019 1.00 5.22 C ATOM 1431 CG TYR A 88 11.321 8.443 2.812 1.00 74.33 C ATOM 1432 CD1 TYR A 88 10.829 8.518 1.506 1.00 13.55 C ATOM 1433 CD2 TYR A 88 12.712 8.485 2.987 1.00 34.32 C ATOM 1434 CE1 TYR A 88 11.685 8.633 0.428 1.00 50.44 C ATOM 1435 CE2 TYR A 88 13.568 8.600 1.911 1.00 35.05 C ATOM 1436 CZ TYR A 88 13.050 8.672 0.632 1.00 61.34 C ATOM 1437 OH TYR A 88 13.900 8.780 -0.446 1.00 15.43 O ATOM 0 H TYR A 88 8.251 6.997 3.198 1.00 24.43 H new ATOM 0 HA TYR A 88 10.870 6.221 4.336 1.00 1.50 H new ATOM 0 HB2 TYR A 88 9.473 8.886 3.817 1.00 5.22 H new ATOM 0 HB3 TYR A 88 10.858 8.775 4.885 1.00 5.22 H new ATOM 0 HD1 TYR A 88 9.763 8.486 1.337 1.00 13.55 H new ATOM 0 HD2 TYR A 88 13.122 8.426 3.985 1.00 34.32 H new ATOM 0 HE1 TYR A 88 11.287 8.692 -0.574 1.00 50.44 H new ATOM 0 HE2 TYR A 88 14.636 8.634 2.067 1.00 35.05 H new ATOM 0 HH TYR A 88 14.828 8.795 -0.131 1.00 15.43 H new ATOM 1447 N PHE A 89 10.059 6.071 6.711 1.00 1.15 N ATOM 1448 CA PHE A 89 9.733 6.075 8.149 1.00 61.34 C ATOM 1449 C PHE A 89 10.039 7.469 8.745 1.00 73.51 C ATOM 1450 O PHE A 89 11.203 7.854 8.853 1.00 41.14 O ATOM 1451 CB PHE A 89 10.543 4.965 8.875 1.00 45.42 C ATOM 1452 CG PHE A 89 10.208 4.784 10.353 1.00 4.22 C ATOM 1453 CD1 PHE A 89 8.921 4.431 10.747 1.00 40.00 C ATOM 1454 CD2 PHE A 89 11.171 4.966 11.345 1.00 62.42 C ATOM 1455 CE1 PHE A 89 8.614 4.267 12.078 1.00 22.35 C ATOM 1456 CE2 PHE A 89 10.859 4.802 12.679 1.00 54.43 C ATOM 1457 CZ PHE A 89 9.578 4.452 13.046 1.00 24.24 C ATOM 0 H PHE A 89 10.828 5.447 6.466 1.00 1.15 H new ATOM 0 HA PHE A 89 8.672 5.867 8.288 1.00 61.34 H new ATOM 0 HB2 PHE A 89 10.375 4.019 8.361 1.00 45.42 H new ATOM 0 HB3 PHE A 89 11.605 5.193 8.784 1.00 45.42 H new ATOM 0 HD1 PHE A 89 8.155 4.284 10.000 1.00 40.00 H new ATOM 0 HD2 PHE A 89 12.177 5.240 11.065 1.00 62.42 H new ATOM 0 HE1 PHE A 89 7.610 3.991 12.367 1.00 22.35 H new ATOM 0 HE2 PHE A 89 11.617 4.948 13.434 1.00 54.43 H new ATOM 0 HZ PHE A 89 9.330 4.323 14.089 1.00 24.24 H new ATOM 1467 N ALA A 90 8.982 8.221 9.086 1.00 40.32 N ATOM 1468 CA ALA A 90 9.092 9.618 9.557 1.00 22.43 C ATOM 1469 C ALA A 90 9.154 9.703 11.096 1.00 41.11 C ATOM 1470 O ALA A 90 8.572 8.870 11.798 1.00 4.51 O ATOM 1471 CB ALA A 90 7.913 10.445 9.014 1.00 45.41 C ATOM 0 H ALA A 90 8.022 7.880 9.044 1.00 40.32 H new ATOM 0 HA ALA A 90 10.027 10.030 9.176 1.00 22.43 H new ATOM 0 HB1 ALA A 90 7.999 11.474 9.364 1.00 45.41 H new ATOM 0 HB2 ALA A 90 7.929 10.430 7.924 1.00 45.41 H new ATOM 0 HB3 ALA A 90 6.975 10.018 9.369 1.00 45.41 H new ATOM 1477 N THR A 91 9.868 10.723 11.610 1.00 31.41 N ATOM 1478 CA THR A 91 9.972 10.986 13.067 1.00 73.23 C ATOM 1479 C THR A 91 8.667 11.613 13.626 1.00 30.32 C ATOM 1480 O THR A 91 8.003 11.007 14.473 1.00 43.50 O ATOM 1481 CB THR A 91 11.220 11.886 13.425 1.00 25.23 C ATOM 1482 OG1 THR A 91 11.202 12.249 14.819 1.00 41.41 O ATOM 1483 CG2 THR A 91 11.329 13.159 12.555 1.00 54.02 C ATOM 0 H THR A 91 10.387 11.387 11.035 1.00 31.41 H new ATOM 0 HA THR A 91 10.119 10.018 13.547 1.00 73.23 H new ATOM 0 HB THR A 91 12.099 11.278 13.211 1.00 25.23 H new ATOM 0 HG1 THR A 91 11.983 12.805 15.022 1.00 41.41 H new ATOM 0 HG21 THR A 91 12.208 13.730 12.854 1.00 54.02 H new ATOM 0 HG22 THR A 91 11.420 12.876 11.506 1.00 54.02 H new ATOM 0 HG23 THR A 91 10.436 13.770 12.690 1.00 54.02 H new ATOM 1491 N SER A 92 8.294 12.792 13.084 1.00 32.32 N ATOM 1492 CA SER A 92 7.195 13.658 13.602 1.00 42.13 C ATOM 1493 C SER A 92 7.233 15.040 12.908 1.00 70.00 C ATOM 1494 O SER A 92 6.193 15.618 12.581 1.00 63.12 O ATOM 1495 CB SER A 92 7.292 13.884 15.139 1.00 22.11 C ATOM 1496 OG SER A 92 8.524 14.493 15.500 1.00 44.03 O ATOM 0 H SER A 92 8.751 13.182 12.260 1.00 32.32 H new ATOM 0 HA SER A 92 6.262 13.139 13.385 1.00 42.13 H new ATOM 0 HB2 SER A 92 6.464 14.512 15.468 1.00 22.11 H new ATOM 0 HB3 SER A 92 7.192 12.929 15.655 1.00 22.11 H new ATOM 0 HG SER A 92 8.553 14.623 16.471 1.00 44.03 H new ATOM 1502 N LYS A 93 8.467 15.536 12.663 1.00 45.22 N ATOM 1503 CA LYS A 93 8.744 16.909 12.146 1.00 35.22 C ATOM 1504 C LYS A 93 8.413 17.112 10.640 1.00 74.02 C ATOM 1505 O LYS A 93 8.827 18.118 10.049 1.00 22.34 O ATOM 1506 CB LYS A 93 10.245 17.251 12.395 1.00 51.22 C ATOM 1507 CG LYS A 93 10.756 17.138 13.863 1.00 64.32 C ATOM 1508 CD LYS A 93 10.170 18.207 14.847 1.00 41.30 C ATOM 1509 CE LYS A 93 8.823 17.804 15.486 1.00 33.54 C ATOM 1510 NZ LYS A 93 8.262 18.871 16.343 1.00 65.55 N ATOM 0 H LYS A 93 9.315 14.991 12.819 1.00 45.22 H new ATOM 0 HA LYS A 93 8.080 17.580 12.691 1.00 35.22 H new ATOM 0 HB2 LYS A 93 10.851 16.593 11.772 1.00 51.22 H new ATOM 0 HB3 LYS A 93 10.423 18.270 12.050 1.00 51.22 H new ATOM 0 HG2 LYS A 93 10.514 16.145 14.242 1.00 64.32 H new ATOM 0 HG3 LYS A 93 11.843 17.223 13.862 1.00 64.32 H new ATOM 0 HD2 LYS A 93 10.895 18.392 15.640 1.00 41.30 H new ATOM 0 HD3 LYS A 93 10.039 19.146 14.310 1.00 41.30 H new ATOM 0 HE2 LYS A 93 8.109 17.561 14.699 1.00 33.54 H new ATOM 0 HE3 LYS A 93 8.962 16.901 16.080 1.00 33.54 H new ATOM 0 HZ1 LYS A 93 7.359 18.552 16.748 1.00 65.55 H new ATOM 0 HZ2 LYS A 93 8.929 19.086 17.111 1.00 65.55 H new ATOM 0 HZ3 LYS A 93 8.103 19.726 15.773 1.00 65.55 H new ATOM 1524 N GLY A 94 7.638 16.196 10.034 1.00 41.34 N ATOM 1525 CA GLY A 94 7.387 16.232 8.584 1.00 21.34 C ATOM 1526 C GLY A 94 8.612 15.818 7.762 1.00 70.41 C ATOM 1527 O GLY A 94 8.801 16.278 6.629 1.00 4.44 O ATOM 0 H GLY A 94 7.178 15.427 10.522 1.00 41.34 H new ATOM 0 HA2 GLY A 94 6.555 15.570 8.347 1.00 21.34 H new ATOM 0 HA3 GLY A 94 7.085 17.239 8.296 1.00 21.34 H new ATOM 1531 N GLU A 95 9.440 14.936 8.351 1.00 0.02 N ATOM 1532 CA GLU A 95 10.666 14.400 7.717 1.00 72.45 C ATOM 1533 C GLU A 95 11.017 13.009 8.292 1.00 55.43 C ATOM 1534 O GLU A 95 10.376 12.552 9.245 1.00 0.31 O ATOM 1535 CB GLU A 95 11.853 15.383 7.912 1.00 2.21 C ATOM 1536 CG GLU A 95 12.282 15.601 9.381 1.00 74.22 C ATOM 1537 CD GLU A 95 13.442 16.600 9.519 1.00 63.22 C ATOM 1538 OE1 GLU A 95 14.609 16.207 9.282 1.00 45.44 O ATOM 1539 OE2 GLU A 95 13.190 17.785 9.828 1.00 42.35 O ATOM 0 H GLU A 95 9.278 14.570 9.289 1.00 0.02 H new ATOM 0 HA GLU A 95 10.478 14.291 6.649 1.00 72.45 H new ATOM 0 HB2 GLU A 95 12.710 15.011 7.350 1.00 2.21 H new ATOM 0 HB3 GLU A 95 11.582 16.347 7.481 1.00 2.21 H new ATOM 0 HG2 GLU A 95 11.428 15.961 9.955 1.00 74.22 H new ATOM 0 HG3 GLU A 95 12.577 14.646 9.814 1.00 74.22 H new ATOM 1546 N LYS A 96 12.047 12.365 7.703 1.00 21.33 N ATOM 1547 CA LYS A 96 12.523 11.007 8.093 1.00 54.42 C ATOM 1548 C LYS A 96 12.933 10.912 9.592 1.00 3.34 C ATOM 1549 O LYS A 96 13.205 11.924 10.244 1.00 75.44 O ATOM 1550 CB LYS A 96 13.701 10.558 7.150 1.00 1.24 C ATOM 1551 CG LYS A 96 15.156 10.969 7.557 1.00 51.33 C ATOM 1552 CD LYS A 96 15.386 12.494 7.751 1.00 24.31 C ATOM 1553 CE LYS A 96 15.128 13.333 6.488 1.00 4.42 C ATOM 1554 NZ LYS A 96 15.464 14.765 6.706 1.00 61.05 N ATOM 0 H LYS A 96 12.581 12.771 6.935 1.00 21.33 H new ATOM 0 HA LYS A 96 11.684 10.323 7.969 1.00 54.42 H new ATOM 0 HB2 LYS A 96 13.670 9.472 7.068 1.00 1.24 H new ATOM 0 HB3 LYS A 96 13.505 10.958 6.155 1.00 1.24 H new ATOM 0 HG2 LYS A 96 15.414 10.459 8.485 1.00 51.33 H new ATOM 0 HG3 LYS A 96 15.845 10.609 6.793 1.00 51.33 H new ATOM 0 HD2 LYS A 96 14.736 12.850 8.550 1.00 24.31 H new ATOM 0 HD3 LYS A 96 16.413 12.657 8.079 1.00 24.31 H new ATOM 0 HE2 LYS A 96 15.721 12.941 5.662 1.00 4.42 H new ATOM 0 HE3 LYS A 96 14.081 13.244 6.199 1.00 4.42 H new ATOM 0 HZ1 LYS A 96 15.035 15.341 5.953 1.00 61.05 H new ATOM 0 HZ2 LYS A 96 15.095 15.072 7.629 1.00 61.05 H new ATOM 0 HZ3 LYS A 96 16.497 14.886 6.689 1.00 61.05 H new ATOM 1568 N ASP A 97 12.966 9.679 10.118 1.00 72.34 N ATOM 1569 CA ASP A 97 13.288 9.408 11.528 1.00 41.41 C ATOM 1570 C ASP A 97 14.769 9.733 11.847 1.00 34.24 C ATOM 1571 O ASP A 97 15.074 10.746 12.483 1.00 23.43 O ATOM 1572 CB ASP A 97 12.948 7.939 11.843 1.00 63.21 C ATOM 1573 CG ASP A 97 13.208 7.546 13.306 1.00 12.30 C ATOM 1574 OD1 ASP A 97 12.494 8.042 14.200 1.00 61.34 O ATOM 1575 OD2 ASP A 97 14.142 6.753 13.567 1.00 24.11 O ATOM 0 H ASP A 97 12.769 8.838 9.576 1.00 72.34 H new ATOM 0 HA ASP A 97 12.688 10.058 12.165 1.00 41.41 H new ATOM 0 HB2 ASP A 97 11.899 7.760 11.609 1.00 63.21 H new ATOM 0 HB3 ASP A 97 13.535 7.291 11.192 1.00 63.21 H new ATOM 1580 N THR A 98 15.678 8.846 11.409 1.00 24.32 N ATOM 1581 CA THR A 98 17.133 9.080 11.470 1.00 3.41 C ATOM 1582 C THR A 98 17.678 9.190 10.030 1.00 4.01 C ATOM 1583 O THR A 98 18.069 10.281 9.589 1.00 3.31 O ATOM 1584 CB THR A 98 17.879 7.950 12.270 1.00 55.41 C ATOM 1585 OG1 THR A 98 17.610 6.657 11.694 1.00 55.42 O ATOM 1586 CG2 THR A 98 17.473 7.933 13.756 1.00 52.34 C ATOM 0 H THR A 98 15.426 7.945 11.002 1.00 24.32 H new ATOM 0 HA THR A 98 17.317 10.010 12.007 1.00 3.41 H new ATOM 0 HB THR A 98 18.945 8.169 12.205 1.00 55.41 H new ATOM 0 HG1 THR A 98 18.084 5.967 12.204 1.00 55.42 H new ATOM 0 HG21 THR A 98 18.012 7.138 14.271 1.00 52.34 H new ATOM 0 HG22 THR A 98 17.719 8.892 14.211 1.00 52.34 H new ATOM 0 HG23 THR A 98 16.400 7.757 13.838 1.00 52.34 H new ATOM 1594 N SER A 99 17.633 8.060 9.292 1.00 14.34 N ATOM 1595 CA SER A 99 18.071 7.976 7.880 1.00 44.11 C ATOM 1596 C SER A 99 17.850 6.548 7.333 1.00 40.31 C ATOM 1597 O SER A 99 18.732 5.692 7.443 1.00 14.30 O ATOM 1598 CB SER A 99 19.569 8.369 7.715 1.00 14.13 C ATOM 1599 OG SER A 99 19.968 8.357 6.353 1.00 63.52 O ATOM 0 H SER A 99 17.289 7.173 9.661 1.00 14.34 H new ATOM 0 HA SER A 99 17.469 8.685 7.311 1.00 44.11 H new ATOM 0 HB2 SER A 99 19.733 9.362 8.133 1.00 14.13 H new ATOM 0 HB3 SER A 99 20.191 7.677 8.283 1.00 14.13 H new ATOM 0 HG SER A 99 20.913 8.610 6.287 1.00 63.52 H new ATOM 1605 N MET A 100 16.649 6.264 6.794 1.00 72.41 N ATOM 1606 CA MET A 100 16.402 5.004 6.045 1.00 21.54 C ATOM 1607 C MET A 100 16.389 5.270 4.511 1.00 2.43 C ATOM 1608 O MET A 100 15.990 6.364 4.075 1.00 43.43 O ATOM 1609 CB MET A 100 15.069 4.330 6.480 1.00 32.14 C ATOM 1610 CG MET A 100 13.777 5.060 6.068 1.00 33.31 C ATOM 1611 SD MET A 100 12.309 4.021 6.270 1.00 4.11 S ATOM 1612 CE MET A 100 12.580 2.728 5.055 1.00 40.21 C ATOM 0 H MET A 100 15.838 6.879 6.859 1.00 72.41 H new ATOM 0 HA MET A 100 17.218 4.321 6.281 1.00 21.54 H new ATOM 0 HB2 MET A 100 15.042 3.323 6.064 1.00 32.14 H new ATOM 0 HB3 MET A 100 15.074 4.227 7.565 1.00 32.14 H new ATOM 0 HG2 MET A 100 13.666 5.964 6.667 1.00 33.31 H new ATOM 0 HG3 MET A 100 13.856 5.375 5.028 1.00 33.31 H new ATOM 0 HE1 MET A 100 11.792 2.765 4.303 1.00 40.21 H new ATOM 0 HE2 MET A 100 13.547 2.877 4.575 1.00 40.21 H new ATOM 0 HE3 MET A 100 12.565 1.756 5.548 1.00 40.21 H new ATOM 1622 N PRO A 101 16.876 4.296 3.668 1.00 53.54 N ATOM 1623 CA PRO A 101 16.674 4.338 2.193 1.00 34.54 C ATOM 1624 C PRO A 101 15.171 4.208 1.805 1.00 35.54 C ATOM 1625 O PRO A 101 14.431 3.438 2.430 1.00 62.55 O ATOM 1626 CB PRO A 101 17.507 3.127 1.669 1.00 23.13 C ATOM 1627 CG PRO A 101 18.450 2.796 2.790 1.00 12.10 C ATOM 1628 CD PRO A 101 17.704 3.125 4.065 1.00 10.33 C ATOM 0 HA PRO A 101 16.990 5.287 1.760 1.00 34.54 H new ATOM 0 HB2 PRO A 101 16.865 2.280 1.429 1.00 23.13 H new ATOM 0 HB3 PRO A 101 18.049 3.384 0.759 1.00 23.13 H new ATOM 0 HG2 PRO A 101 18.735 1.744 2.764 1.00 12.10 H new ATOM 0 HG3 PRO A 101 19.369 3.377 2.713 1.00 12.10 H new ATOM 0 HD2 PRO A 101 17.089 2.290 4.401 1.00 10.33 H new ATOM 0 HD3 PRO A 101 18.385 3.369 4.881 1.00 10.33 H new ATOM 1636 N GLY A 102 14.751 4.969 0.775 1.00 40.21 N ATOM 1637 CA GLY A 102 13.352 5.000 0.311 1.00 55.15 C ATOM 1638 C GLY A 102 12.812 3.645 -0.177 1.00 12.21 C ATOM 1639 O GLY A 102 13.216 3.149 -1.236 1.00 23.10 O ATOM 0 H GLY A 102 15.372 5.578 0.243 1.00 40.21 H new ATOM 0 HA2 GLY A 102 12.720 5.357 1.125 1.00 55.15 H new ATOM 0 HA3 GLY A 102 13.267 5.724 -0.499 1.00 55.15 H new ATOM 1643 N MET A 103 11.909 3.062 0.624 1.00 54.23 N ATOM 1644 CA MET A 103 11.228 1.778 0.341 1.00 22.52 C ATOM 1645 C MET A 103 10.348 1.872 -0.952 1.00 2.04 C ATOM 1646 O MET A 103 9.274 2.465 -0.948 1.00 55.34 O ATOM 1647 CB MET A 103 10.399 1.405 1.606 1.00 31.54 C ATOM 1648 CG MET A 103 9.430 0.245 1.442 1.00 34.51 C ATOM 1649 SD MET A 103 10.238 -1.254 0.893 1.00 72.21 S ATOM 1650 CE MET A 103 8.815 -2.271 0.555 1.00 25.00 C ATOM 0 H MET A 103 11.621 3.476 1.510 1.00 54.23 H new ATOM 0 HA MET A 103 11.954 0.991 0.137 1.00 22.52 H new ATOM 0 HB2 MET A 103 11.091 1.165 2.413 1.00 31.54 H new ATOM 0 HB3 MET A 103 9.835 2.283 1.920 1.00 31.54 H new ATOM 0 HG2 MET A 103 8.930 0.057 2.392 1.00 34.51 H new ATOM 0 HG3 MET A 103 8.657 0.521 0.724 1.00 34.51 H new ATOM 0 HE1 MET A 103 9.132 -3.185 0.053 1.00 25.00 H new ATOM 0 HE2 MET A 103 8.319 -2.525 1.492 1.00 25.00 H new ATOM 0 HE3 MET A 103 8.122 -1.726 -0.086 1.00 25.00 H new ATOM 1660 N HIS A 104 10.823 1.276 -2.059 1.00 43.54 N ATOM 1661 CA HIS A 104 10.268 1.530 -3.417 1.00 23.34 C ATOM 1662 C HIS A 104 9.218 0.476 -3.865 1.00 30.42 C ATOM 1663 O HIS A 104 9.580 -0.622 -4.283 1.00 32.30 O ATOM 1664 CB HIS A 104 11.434 1.591 -4.439 1.00 71.31 C ATOM 1665 CG HIS A 104 11.011 1.956 -5.838 1.00 54.13 C ATOM 1666 ND1 HIS A 104 11.088 1.085 -6.898 1.00 44.32 N ATOM 1667 CD2 HIS A 104 10.536 3.117 -6.349 1.00 74.04 C ATOM 1668 CE1 HIS A 104 10.684 1.687 -7.990 1.00 30.04 C ATOM 1669 NE2 HIS A 104 10.342 2.916 -7.685 1.00 3.33 N ATOM 0 H HIS A 104 11.595 0.609 -2.048 1.00 43.54 H new ATOM 0 HA HIS A 104 9.740 2.483 -3.376 1.00 23.34 H new ATOM 0 HB2 HIS A 104 12.168 2.318 -4.092 1.00 71.31 H new ATOM 0 HB3 HIS A 104 11.932 0.622 -4.463 1.00 71.31 H new ATOM 0 HD2 HIS A 104 10.347 4.029 -5.803 1.00 74.04 H new ATOM 0 HE1 HIS A 104 10.640 1.246 -8.975 1.00 30.04 H new ATOM 0 HE2 HIS A 104 9.987 3.611 -8.342 1.00 3.33 H new ATOM 1678 N ILE A 105 7.914 0.831 -3.795 1.00 71.22 N ATOM 1679 CA ILE A 105 6.809 -0.033 -4.296 1.00 23.45 C ATOM 1680 C ILE A 105 6.360 0.440 -5.706 1.00 11.44 C ATOM 1681 O ILE A 105 6.166 1.639 -5.926 1.00 0.53 O ATOM 1682 CB ILE A 105 5.521 -0.061 -3.356 1.00 64.53 C ATOM 1683 CG1 ILE A 105 5.812 -0.565 -1.908 1.00 4.11 C ATOM 1684 CG2 ILE A 105 4.424 -0.967 -3.970 1.00 61.04 C ATOM 1685 CD1 ILE A 105 6.671 0.342 -1.047 1.00 41.11 C ATOM 0 H ILE A 105 7.596 1.714 -3.395 1.00 71.22 H new ATOM 0 HA ILE A 105 7.222 -1.042 -4.317 1.00 23.45 H new ATOM 0 HB ILE A 105 5.188 0.975 -3.289 1.00 64.53 H new ATOM 0 HG12 ILE A 105 4.860 -0.719 -1.400 1.00 4.11 H new ATOM 0 HG13 ILE A 105 6.299 -1.538 -1.974 1.00 4.11 H new ATOM 0 HG21 ILE A 105 3.552 -0.976 -3.317 1.00 61.04 H new ATOM 0 HG22 ILE A 105 4.140 -0.582 -4.949 1.00 61.04 H new ATOM 0 HG23 ILE A 105 4.808 -1.982 -4.076 1.00 61.04 H new ATOM 0 HD11 ILE A 105 6.806 -0.110 -0.064 1.00 41.11 H new ATOM 0 HD12 ILE A 105 7.643 0.479 -1.520 1.00 41.11 H new ATOM 0 HD13 ILE A 105 6.182 1.310 -0.937 1.00 41.11 H new ATOM 1697 N THR A 106 6.221 -0.509 -6.655 1.00 53.54 N ATOM 1698 CA THR A 106 5.505 -0.295 -7.937 1.00 12.14 C ATOM 1699 C THR A 106 4.409 -1.372 -8.103 1.00 44.50 C ATOM 1700 O THR A 106 4.711 -2.554 -8.269 1.00 71.42 O ATOM 1701 CB THR A 106 6.473 -0.348 -9.174 1.00 1.43 C ATOM 1702 OG1 THR A 106 7.255 -1.560 -9.153 1.00 42.12 O ATOM 1703 CG2 THR A 106 7.409 0.865 -9.218 1.00 13.44 C ATOM 0 H THR A 106 6.602 -1.450 -6.556 1.00 53.54 H new ATOM 0 HA THR A 106 5.062 0.700 -7.902 1.00 12.14 H new ATOM 0 HB THR A 106 5.851 -0.331 -10.069 1.00 1.43 H new ATOM 0 HG1 THR A 106 7.851 -1.578 -9.931 1.00 42.12 H new ATOM 0 HG21 THR A 106 8.062 0.790 -10.088 1.00 13.44 H new ATOM 0 HG22 THR A 106 6.818 1.778 -9.286 1.00 13.44 H new ATOM 0 HG23 THR A 106 8.014 0.891 -8.312 1.00 13.44 H new ATOM 1711 N LEU A 107 3.130 -0.956 -8.096 1.00 32.40 N ATOM 1712 CA LEU A 107 1.984 -1.879 -8.221 1.00 45.24 C ATOM 1713 C LEU A 107 1.448 -1.821 -9.665 1.00 54.14 C ATOM 1714 O LEU A 107 1.183 -0.737 -10.182 1.00 72.41 O ATOM 1715 CB LEU A 107 0.845 -1.546 -7.203 1.00 24.30 C ATOM 1716 CG LEU A 107 1.271 -1.148 -5.738 1.00 12.52 C ATOM 1717 CD1 LEU A 107 1.585 0.361 -5.636 1.00 20.10 C ATOM 1718 CD2 LEU A 107 0.194 -1.558 -4.710 1.00 31.10 C ATOM 0 H LEU A 107 2.861 0.024 -8.004 1.00 32.40 H new ATOM 0 HA LEU A 107 2.329 -2.887 -7.990 1.00 45.24 H new ATOM 0 HB2 LEU A 107 0.254 -0.728 -7.615 1.00 24.30 H new ATOM 0 HB3 LEU A 107 0.188 -2.413 -7.138 1.00 24.30 H new ATOM 0 HG LEU A 107 2.183 -1.696 -5.502 1.00 12.52 H new ATOM 0 HD11 LEU A 107 1.876 0.604 -4.614 1.00 20.10 H new ATOM 0 HD12 LEU A 107 2.401 0.609 -6.314 1.00 20.10 H new ATOM 0 HD13 LEU A 107 0.700 0.936 -5.908 1.00 20.10 H new ATOM 0 HD21 LEU A 107 0.517 -1.270 -3.710 1.00 31.10 H new ATOM 0 HD22 LEU A 107 -0.744 -1.056 -4.946 1.00 31.10 H new ATOM 0 HD23 LEU A 107 0.048 -2.637 -4.747 1.00 31.10 H new ATOM 1730 N ASN A 108 1.275 -2.988 -10.297 1.00 33.52 N ATOM 1731 CA ASN A 108 0.966 -3.088 -11.738 1.00 22.23 C ATOM 1732 C ASN A 108 -0.111 -4.165 -11.995 1.00 35.42 C ATOM 1733 O ASN A 108 -0.234 -5.121 -11.221 1.00 52.13 O ATOM 1734 CB ASN A 108 2.268 -3.427 -12.511 1.00 52.41 C ATOM 1735 CG ASN A 108 2.177 -3.087 -13.999 1.00 10.54 C ATOM 1736 OD1 ASN A 108 2.470 -1.851 -14.350 1.00 31.00 O flip ATOM 1737 ND2 ASN A 108 1.818 -3.919 -14.821 1.00 14.13 N flip ATOM 0 H ASN A 108 1.344 -3.892 -9.829 1.00 33.52 H new ATOM 0 HA ASN A 108 0.571 -2.134 -12.088 1.00 22.23 H new ATOM 0 HB2 ASN A 108 3.101 -2.881 -12.068 1.00 52.41 H new ATOM 0 HB3 ASN A 108 2.487 -4.489 -12.398 1.00 52.41 H new ATOM 0 HD21 ASN A 108 1.597 -4.869 -14.522 1.00 14.13 H new ATOM 0 HD22 ASN A 108 1.739 -3.663 -15.805 1.00 14.13 H new ATOM 1744 N PHE A 109 -0.874 -4.012 -13.094 1.00 62.51 N ATOM 1745 CA PHE A 109 -1.933 -4.973 -13.475 1.00 35.44 C ATOM 1746 C PHE A 109 -1.332 -6.369 -13.834 1.00 11.54 C ATOM 1747 O PHE A 109 -0.508 -6.498 -14.746 1.00 32.15 O ATOM 1748 CB PHE A 109 -2.799 -4.407 -14.646 1.00 64.43 C ATOM 1749 CG PHE A 109 -2.098 -4.323 -16.018 1.00 71.21 C ATOM 1750 CD1 PHE A 109 -1.080 -3.397 -16.257 1.00 1.10 C ATOM 1751 CD2 PHE A 109 -2.461 -5.178 -17.065 1.00 2.20 C ATOM 1752 CE1 PHE A 109 -0.450 -3.329 -17.487 1.00 1.04 C ATOM 1753 CE2 PHE A 109 -1.829 -5.108 -18.296 1.00 32.51 C ATOM 1754 CZ PHE A 109 -0.825 -4.183 -18.506 1.00 41.05 C ATOM 0 H PHE A 109 -0.777 -3.228 -13.739 1.00 62.51 H new ATOM 0 HA PHE A 109 -2.585 -5.114 -12.613 1.00 35.44 H new ATOM 0 HB2 PHE A 109 -3.687 -5.030 -14.750 1.00 64.43 H new ATOM 0 HB3 PHE A 109 -3.140 -3.409 -14.371 1.00 64.43 H new ATOM 0 HD1 PHE A 109 -0.780 -2.723 -15.469 1.00 1.10 H new ATOM 0 HD2 PHE A 109 -3.246 -5.904 -16.911 1.00 2.20 H new ATOM 0 HE1 PHE A 109 0.336 -2.607 -17.651 1.00 1.04 H new ATOM 0 HE2 PHE A 109 -2.122 -5.777 -19.092 1.00 32.51 H new ATOM 0 HZ PHE A 109 -0.334 -4.127 -19.466 1.00 41.05 H new ATOM 1764 N GLU A 110 -1.702 -7.394 -13.058 1.00 44.43 N ATOM 1765 CA GLU A 110 -1.335 -8.797 -13.336 1.00 23.45 C ATOM 1766 C GLU A 110 -2.419 -9.459 -14.216 1.00 41.13 C ATOM 1767 O GLU A 110 -2.162 -9.853 -15.358 1.00 54.35 O ATOM 1768 CB GLU A 110 -1.157 -9.565 -11.998 1.00 63.22 C ATOM 1769 CG GLU A 110 -0.716 -11.041 -12.127 1.00 51.45 C ATOM 1770 CD GLU A 110 0.634 -11.215 -12.848 1.00 22.41 C ATOM 1771 OE1 GLU A 110 1.689 -10.980 -12.220 1.00 11.43 O ATOM 1772 OE2 GLU A 110 0.648 -11.579 -14.048 1.00 22.42 O ATOM 0 H GLU A 110 -2.266 -7.279 -12.216 1.00 44.43 H new ATOM 0 HA GLU A 110 -0.390 -8.828 -13.879 1.00 23.45 H new ATOM 0 HB2 GLU A 110 -0.421 -9.037 -11.392 1.00 63.22 H new ATOM 0 HB3 GLU A 110 -2.101 -9.533 -11.453 1.00 63.22 H new ATOM 0 HG2 GLU A 110 -0.647 -11.480 -11.132 1.00 51.45 H new ATOM 0 HG3 GLU A 110 -1.483 -11.596 -12.668 1.00 51.45 H new ATOM 1832 N GLY A 114 -12.820 -9.814 -15.651 1.00 53.14 N ATOM 1833 CA GLY A 114 -14.010 -9.402 -14.887 1.00 13.32 C ATOM 1834 C GLY A 114 -13.626 -9.073 -13.444 1.00 73.02 C ATOM 1835 O GLY A 114 -14.179 -8.156 -12.826 1.00 11.13 O ATOM 0 HA2 GLY A 114 -14.468 -8.531 -15.356 1.00 13.32 H new ATOM 0 HA3 GLY A 114 -14.753 -10.199 -14.900 1.00 13.32 H new ATOM 1839 N LYS A 115 -12.665 -9.855 -12.918 1.00 72.21 N ATOM 1840 CA LYS A 115 -12.051 -9.644 -11.594 1.00 22.43 C ATOM 1841 C LYS A 115 -10.672 -8.959 -11.753 1.00 71.54 C ATOM 1842 O LYS A 115 -9.961 -9.181 -12.745 1.00 42.33 O ATOM 1843 CB LYS A 115 -11.882 -11.004 -10.857 1.00 61.34 C ATOM 1844 CG LYS A 115 -13.190 -11.814 -10.690 1.00 52.03 C ATOM 1845 CD LYS A 115 -12.967 -13.170 -9.980 1.00 41.03 C ATOM 1846 CE LYS A 115 -12.495 -13.015 -8.525 1.00 43.31 C ATOM 1847 NZ LYS A 115 -12.190 -14.324 -7.892 1.00 32.51 N ATOM 0 H LYS A 115 -12.287 -10.665 -13.410 1.00 72.21 H new ATOM 0 HA LYS A 115 -12.704 -9.001 -11.004 1.00 22.43 H new ATOM 0 HB2 LYS A 115 -11.161 -11.612 -11.404 1.00 61.34 H new ATOM 0 HB3 LYS A 115 -11.457 -10.817 -9.871 1.00 61.34 H new ATOM 0 HG2 LYS A 115 -13.907 -11.224 -10.120 1.00 52.03 H new ATOM 0 HG3 LYS A 115 -13.631 -11.991 -11.671 1.00 52.03 H new ATOM 0 HD2 LYS A 115 -13.896 -13.740 -9.996 1.00 41.03 H new ATOM 0 HD3 LYS A 115 -12.229 -13.748 -10.536 1.00 41.03 H new ATOM 0 HE2 LYS A 115 -11.606 -12.384 -8.498 1.00 43.31 H new ATOM 0 HE3 LYS A 115 -13.266 -12.505 -7.947 1.00 43.31 H new ATOM 0 HZ1 LYS A 115 -11.876 -14.171 -6.912 1.00 32.51 H new ATOM 0 HZ2 LYS A 115 -13.044 -14.917 -7.893 1.00 32.51 H new ATOM 0 HZ3 LYS A 115 -11.436 -14.801 -8.427 1.00 32.51 H new ATOM 1861 N THR A 116 -10.315 -8.133 -10.766 1.00 31.43 N ATOM 1862 CA THR A 116 -9.024 -7.410 -10.726 1.00 61.44 C ATOM 1863 C THR A 116 -7.935 -8.241 -10.003 1.00 24.42 C ATOM 1864 O THR A 116 -8.232 -8.969 -9.068 1.00 43.14 O ATOM 1865 CB THR A 116 -9.212 -6.031 -10.003 1.00 5.43 C ATOM 1866 OG1 THR A 116 -10.104 -5.203 -10.770 1.00 24.31 O ATOM 1867 CG2 THR A 116 -7.890 -5.272 -9.781 1.00 3.24 C ATOM 0 H THR A 116 -10.913 -7.940 -9.962 1.00 31.43 H new ATOM 0 HA THR A 116 -8.695 -7.244 -11.752 1.00 61.44 H new ATOM 0 HB THR A 116 -9.626 -6.250 -9.019 1.00 5.43 H new ATOM 0 HG1 THR A 116 -11.018 -5.307 -10.433 1.00 24.31 H new ATOM 0 HG21 THR A 116 -8.093 -4.327 -9.277 1.00 3.24 H new ATOM 0 HG22 THR A 116 -7.223 -5.876 -9.166 1.00 3.24 H new ATOM 0 HG23 THR A 116 -7.417 -5.075 -10.743 1.00 3.24 H new ATOM 1875 N THR A 117 -6.677 -8.122 -10.460 1.00 1.21 N ATOM 1876 CA THR A 117 -5.488 -8.699 -9.787 1.00 4.30 C ATOM 1877 C THR A 117 -4.299 -7.762 -10.036 1.00 32.52 C ATOM 1878 O THR A 117 -3.896 -7.566 -11.186 1.00 5.04 O ATOM 1879 CB THR A 117 -5.127 -10.142 -10.296 1.00 20.31 C ATOM 1880 OG1 THR A 117 -6.250 -11.019 -10.135 1.00 14.05 O ATOM 1881 CG2 THR A 117 -3.908 -10.741 -9.555 1.00 20.51 C ATOM 0 H THR A 117 -6.448 -7.618 -11.317 1.00 1.21 H new ATOM 0 HA THR A 117 -5.717 -8.792 -8.725 1.00 4.30 H new ATOM 0 HB THR A 117 -4.868 -10.049 -11.351 1.00 20.31 H new ATOM 0 HG1 THR A 117 -6.031 -11.902 -10.500 1.00 14.05 H new ATOM 0 HG21 THR A 117 -3.700 -11.738 -9.943 1.00 20.51 H new ATOM 0 HG22 THR A 117 -3.038 -10.102 -9.710 1.00 20.51 H new ATOM 0 HG23 THR A 117 -4.126 -10.805 -8.489 1.00 20.51 H new ATOM 1889 N VAL A 118 -3.762 -7.159 -8.966 1.00 22.53 N ATOM 1890 CA VAL A 118 -2.648 -6.186 -9.059 1.00 53.24 C ATOM 1891 C VAL A 118 -1.428 -6.666 -8.228 1.00 35.52 C ATOM 1892 O VAL A 118 -1.532 -6.908 -7.020 1.00 34.33 O ATOM 1893 CB VAL A 118 -3.123 -4.741 -8.616 1.00 42.32 C ATOM 1894 CG1 VAL A 118 -1.945 -3.735 -8.509 1.00 64.33 C ATOM 1895 CG2 VAL A 118 -4.199 -4.200 -9.594 1.00 54.01 C ATOM 0 H VAL A 118 -4.081 -7.327 -8.012 1.00 22.53 H new ATOM 0 HA VAL A 118 -2.333 -6.122 -10.101 1.00 53.24 H new ATOM 0 HB VAL A 118 -3.555 -4.841 -7.620 1.00 42.32 H new ATOM 0 HG11 VAL A 118 -2.325 -2.761 -8.202 1.00 64.33 H new ATOM 0 HG12 VAL A 118 -1.227 -4.093 -7.771 1.00 64.33 H new ATOM 0 HG13 VAL A 118 -1.455 -3.644 -9.478 1.00 64.33 H new ATOM 0 HG21 VAL A 118 -4.514 -3.207 -9.275 1.00 54.01 H new ATOM 0 HG22 VAL A 118 -3.781 -4.143 -10.599 1.00 54.01 H new ATOM 0 HG23 VAL A 118 -5.059 -4.870 -9.596 1.00 54.01 H new ATOM 1905 N THR A 119 -0.291 -6.833 -8.923 1.00 21.11 N ATOM 1906 CA THR A 119 1.005 -7.237 -8.334 1.00 53.05 C ATOM 1907 C THR A 119 1.764 -6.038 -7.716 1.00 20.42 C ATOM 1908 O THR A 119 2.143 -5.112 -8.430 1.00 74.04 O ATOM 1909 CB THR A 119 1.906 -7.899 -9.431 1.00 51.14 C ATOM 1910 OG1 THR A 119 1.233 -9.044 -9.969 1.00 12.31 O ATOM 1911 CG2 THR A 119 3.277 -8.341 -8.897 1.00 70.12 C ATOM 0 H THR A 119 -0.242 -6.689 -9.932 1.00 21.11 H new ATOM 0 HA THR A 119 0.789 -7.949 -7.538 1.00 53.05 H new ATOM 0 HB THR A 119 2.080 -7.143 -10.197 1.00 51.14 H new ATOM 0 HG1 THR A 119 1.739 -9.392 -10.733 1.00 12.31 H new ATOM 0 HG21 THR A 119 3.854 -8.792 -9.704 1.00 70.12 H new ATOM 0 HG22 THR A 119 3.813 -7.475 -8.508 1.00 70.12 H new ATOM 0 HG23 THR A 119 3.139 -9.070 -8.099 1.00 70.12 H new ATOM 1919 N SER A 120 1.995 -6.068 -6.387 1.00 14.14 N ATOM 1920 CA SER A 120 2.809 -5.045 -5.689 1.00 33.02 C ATOM 1921 C SER A 120 4.305 -5.470 -5.674 1.00 51.34 C ATOM 1922 O SER A 120 4.687 -6.430 -5.002 1.00 53.12 O ATOM 1923 CB SER A 120 2.286 -4.827 -4.242 1.00 73.11 C ATOM 1924 OG SER A 120 2.548 -5.933 -3.398 1.00 64.21 O ATOM 0 H SER A 120 1.628 -6.793 -5.771 1.00 14.14 H new ATOM 0 HA SER A 120 2.722 -4.101 -6.228 1.00 33.02 H new ATOM 0 HB2 SER A 120 2.751 -3.935 -3.822 1.00 73.11 H new ATOM 0 HB3 SER A 120 1.212 -4.643 -4.271 1.00 73.11 H new ATOM 0 HG SER A 120 3.346 -6.404 -3.715 1.00 64.21 H new ATOM 1930 N THR A 121 5.139 -4.755 -6.435 1.00 60.24 N ATOM 1931 CA THR A 121 6.595 -5.016 -6.510 1.00 54.35 C ATOM 1932 C THR A 121 7.319 -4.130 -5.482 1.00 21.14 C ATOM 1933 O THR A 121 7.575 -2.950 -5.730 1.00 64.15 O ATOM 1934 CB THR A 121 7.152 -4.735 -7.945 1.00 73.34 C ATOM 1935 OG1 THR A 121 6.359 -5.438 -8.918 1.00 42.34 O ATOM 1936 CG2 THR A 121 8.631 -5.145 -8.091 1.00 60.20 C ATOM 0 H THR A 121 4.832 -3.977 -7.019 1.00 60.24 H new ATOM 0 HA THR A 121 6.772 -6.068 -6.286 1.00 54.35 H new ATOM 0 HB THR A 121 7.092 -3.660 -8.113 1.00 73.34 H new ATOM 0 HG1 THR A 121 6.709 -5.259 -9.816 1.00 42.34 H new ATOM 0 HG21 THR A 121 8.970 -4.930 -9.104 1.00 60.20 H new ATOM 0 HG22 THR A 121 9.236 -4.584 -7.379 1.00 60.20 H new ATOM 0 HG23 THR A 121 8.734 -6.212 -7.893 1.00 60.20 H new ATOM 1944 N SER A 122 7.636 -4.713 -4.327 1.00 31.13 N ATOM 1945 CA SER A 122 8.115 -3.965 -3.148 1.00 71.25 C ATOM 1946 C SER A 122 9.626 -4.189 -2.925 1.00 33.13 C ATOM 1947 O SER A 122 10.036 -5.235 -2.436 1.00 34.21 O ATOM 1948 CB SER A 122 7.306 -4.423 -1.909 1.00 51.21 C ATOM 1949 OG SER A 122 5.912 -4.205 -2.085 1.00 73.13 O ATOM 0 H SER A 122 7.570 -5.719 -4.174 1.00 31.13 H new ATOM 0 HA SER A 122 7.966 -2.898 -3.312 1.00 71.25 H new ATOM 0 HB2 SER A 122 7.489 -5.482 -1.725 1.00 51.21 H new ATOM 0 HB3 SER A 122 7.651 -3.882 -1.028 1.00 51.21 H new ATOM 0 HG SER A 122 5.430 -4.506 -1.286 1.00 73.13 H new ATOM 1955 N THR A 123 10.443 -3.193 -3.294 1.00 40.34 N ATOM 1956 CA THR A 123 11.908 -3.222 -3.085 1.00 3.41 C ATOM 1957 C THR A 123 12.257 -2.620 -1.703 1.00 11.55 C ATOM 1958 O THR A 123 12.255 -1.393 -1.517 1.00 33.13 O ATOM 1959 CB THR A 123 12.680 -2.449 -4.218 1.00 31.31 C ATOM 1960 OG1 THR A 123 12.275 -2.940 -5.508 1.00 73.52 O ATOM 1961 CG2 THR A 123 14.213 -2.596 -4.089 1.00 61.54 C ATOM 0 H THR A 123 10.112 -2.341 -3.747 1.00 40.34 H new ATOM 0 HA THR A 123 12.225 -4.264 -3.122 1.00 3.41 H new ATOM 0 HB THR A 123 12.430 -1.393 -4.112 1.00 31.31 H new ATOM 0 HG1 THR A 123 12.757 -2.454 -6.209 1.00 73.52 H new ATOM 0 HG21 THR A 123 14.700 -2.045 -4.893 1.00 61.54 H new ATOM 0 HG22 THR A 123 14.537 -2.197 -3.128 1.00 61.54 H new ATOM 0 HG23 THR A 123 14.484 -3.650 -4.155 1.00 61.54 H new ATOM 1969 N PHE A 124 12.522 -3.515 -0.742 1.00 70.43 N ATOM 1970 CA PHE A 124 12.942 -3.168 0.632 1.00 5.42 C ATOM 1971 C PHE A 124 14.376 -2.563 0.666 1.00 15.44 C ATOM 1972 O PHE A 124 15.158 -2.783 -0.266 1.00 74.02 O ATOM 1973 CB PHE A 124 12.832 -4.430 1.543 1.00 71.12 C ATOM 1974 CG PHE A 124 11.391 -4.812 1.887 1.00 43.21 C ATOM 1975 CD1 PHE A 124 10.564 -5.419 0.944 1.00 34.03 C ATOM 1976 CD2 PHE A 124 10.864 -4.556 3.156 1.00 50.15 C ATOM 1977 CE1 PHE A 124 9.262 -5.755 1.259 1.00 64.01 C ATOM 1978 CE2 PHE A 124 9.561 -4.897 3.469 1.00 14.22 C ATOM 1979 CZ PHE A 124 8.760 -5.496 2.520 1.00 42.22 C ATOM 0 H PHE A 124 12.451 -4.521 -0.896 1.00 70.43 H new ATOM 0 HA PHE A 124 12.274 -2.396 1.014 1.00 5.42 H new ATOM 0 HB2 PHE A 124 13.313 -5.271 1.044 1.00 71.12 H new ATOM 0 HB3 PHE A 124 13.382 -4.250 2.467 1.00 71.12 H new ATOM 0 HD1 PHE A 124 10.945 -5.629 -0.044 1.00 34.03 H new ATOM 0 HD2 PHE A 124 11.484 -4.084 3.904 1.00 50.15 H new ATOM 0 HE1 PHE A 124 8.633 -6.223 0.516 1.00 64.01 H new ATOM 0 HE2 PHE A 124 9.171 -4.694 4.456 1.00 14.22 H new ATOM 0 HZ PHE A 124 7.742 -5.762 2.762 1.00 42.22 H new ATOM 1989 N PRO A 125 14.732 -1.788 1.754 1.00 74.01 N ATOM 1990 CA PRO A 125 16.037 -1.067 1.869 1.00 53.33 C ATOM 1991 C PRO A 125 17.261 -1.980 2.214 1.00 23.53 C ATOM 1992 O PRO A 125 17.950 -1.766 3.219 1.00 50.42 O ATOM 1993 CB PRO A 125 15.736 -0.039 2.993 1.00 23.23 C ATOM 1994 CG PRO A 125 14.748 -0.732 3.881 1.00 52.03 C ATOM 1995 CD PRO A 125 13.869 -1.541 2.948 1.00 24.01 C ATOM 0 HA PRO A 125 16.348 -0.627 0.922 1.00 53.33 H new ATOM 0 HB2 PRO A 125 16.641 0.228 3.539 1.00 23.23 H new ATOM 0 HB3 PRO A 125 15.324 0.885 2.586 1.00 23.23 H new ATOM 0 HG2 PRO A 125 15.252 -1.375 4.603 1.00 52.03 H new ATOM 0 HG3 PRO A 125 14.159 -0.013 4.451 1.00 52.03 H new ATOM 0 HD2 PRO A 125 13.552 -2.476 3.410 1.00 24.01 H new ATOM 0 HD3 PRO A 125 12.965 -0.995 2.680 1.00 24.01 H new ATOM 2003 N THR A 126 17.509 -2.991 1.339 1.00 0.25 N ATOM 2004 CA THR A 126 18.745 -3.847 1.298 1.00 62.32 C ATOM 2005 C THR A 126 19.004 -4.699 2.572 1.00 5.20 C ATOM 2006 O THR A 126 18.411 -4.467 3.623 1.00 31.14 O ATOM 2007 CB THR A 126 20.053 -3.032 0.957 1.00 65.30 C ATOM 2008 OG1 THR A 126 20.504 -2.265 2.093 1.00 63.35 O ATOM 2009 CG2 THR A 126 19.833 -2.090 -0.247 1.00 22.35 C ATOM 0 H THR A 126 16.838 -3.248 0.616 1.00 0.25 H new ATOM 0 HA THR A 126 18.522 -4.539 0.486 1.00 62.32 H new ATOM 0 HB THR A 126 20.821 -3.761 0.696 1.00 65.30 H new ATOM 0 HG1 THR A 126 19.749 -2.097 2.695 1.00 63.35 H new ATOM 0 HG21 THR A 126 20.753 -1.544 -0.455 1.00 22.35 H new ATOM 0 HG22 THR A 126 19.554 -2.677 -1.122 1.00 22.35 H new ATOM 0 HG23 THR A 126 19.036 -1.383 -0.015 1.00 22.35 H new ATOM 2017 N GLU A 127 19.880 -5.723 2.413 1.00 43.13 N ATOM 2018 CA GLU A 127 20.476 -6.533 3.515 1.00 50.42 C ATOM 2019 C GLU A 127 19.439 -7.045 4.561 1.00 74.34 C ATOM 2020 O GLU A 127 19.253 -6.448 5.631 1.00 72.24 O ATOM 2021 CB GLU A 127 21.632 -5.744 4.186 1.00 35.14 C ATOM 2022 CG GLU A 127 22.480 -6.557 5.182 1.00 54.23 C ATOM 2023 CD GLU A 127 23.651 -5.750 5.764 1.00 44.10 C ATOM 2024 OE1 GLU A 127 24.725 -5.696 5.123 1.00 40.12 O ATOM 2025 OE2 GLU A 127 23.499 -5.156 6.856 1.00 24.52 O ATOM 0 H GLU A 127 20.202 -6.019 1.492 1.00 43.13 H new ATOM 0 HA GLU A 127 20.876 -7.438 3.059 1.00 50.42 H new ATOM 0 HB2 GLU A 127 22.287 -5.355 3.407 1.00 35.14 H new ATOM 0 HB3 GLU A 127 21.211 -4.884 4.707 1.00 35.14 H new ATOM 0 HG2 GLU A 127 21.843 -6.904 5.996 1.00 54.23 H new ATOM 0 HG3 GLU A 127 22.869 -7.444 4.682 1.00 54.23 H new ATOM 2032 N SER A 128 18.729 -8.122 4.178 1.00 50.35 N ATOM 2033 CA SER A 128 17.758 -8.858 5.035 1.00 11.14 C ATOM 2034 C SER A 128 16.521 -8.021 5.472 1.00 33.31 C ATOM 2035 O SER A 128 15.733 -8.486 6.294 1.00 2.13 O ATOM 2036 CB SER A 128 18.464 -9.481 6.275 1.00 22.34 C ATOM 2037 OG SER A 128 19.549 -10.313 5.894 1.00 54.04 O ATOM 0 H SER A 128 18.811 -8.521 3.243 1.00 50.35 H new ATOM 0 HA SER A 128 17.367 -9.655 4.402 1.00 11.14 H new ATOM 0 HB2 SER A 128 18.826 -8.686 6.926 1.00 22.34 H new ATOM 0 HB3 SER A 128 17.744 -10.062 6.851 1.00 22.34 H new ATOM 0 HG SER A 128 19.972 -10.687 6.695 1.00 54.04 H new ATOM 2043 N ALA A 129 16.333 -6.816 4.889 1.00 21.05 N ATOM 2044 CA ALA A 129 15.164 -5.940 5.185 1.00 61.41 C ATOM 2045 C ALA A 129 13.831 -6.566 4.693 1.00 72.45 C ATOM 2046 O ALA A 129 12.778 -6.392 5.315 1.00 2.24 O ATOM 2047 CB ALA A 129 15.371 -4.555 4.556 1.00 2.12 C ATOM 0 H ALA A 129 16.978 -6.421 4.205 1.00 21.05 H new ATOM 0 HA ALA A 129 15.093 -5.836 6.268 1.00 61.41 H new ATOM 0 HB1 ALA A 129 14.511 -3.922 4.778 1.00 2.12 H new ATOM 0 HB2 ALA A 129 16.272 -4.100 4.967 1.00 2.12 H new ATOM 0 HB3 ALA A 129 15.476 -4.658 3.476 1.00 2.12 H new ATOM 2053 N ALA A 130 13.901 -7.265 3.553 1.00 34.31 N ATOM 2054 CA ALA A 130 12.771 -8.050 3.003 1.00 64.42 C ATOM 2055 C ALA A 130 12.677 -9.448 3.651 1.00 21.20 C ATOM 2056 O ALA A 130 11.583 -9.968 3.883 1.00 43.21 O ATOM 2057 CB ALA A 130 12.931 -8.157 1.486 1.00 21.20 C ATOM 0 H ALA A 130 14.743 -7.307 2.979 1.00 34.31 H new ATOM 0 HA ALA A 130 11.839 -7.535 3.235 1.00 64.42 H new ATOM 0 HB1 ALA A 130 12.103 -8.733 1.073 1.00 21.20 H new ATOM 0 HB2 ALA A 130 12.932 -7.158 1.049 1.00 21.20 H new ATOM 0 HB3 ALA A 130 13.872 -8.656 1.254 1.00 21.20 H new ATOM 2063 N GLN A 131 13.853 -10.039 3.928 1.00 53.20 N ATOM 2064 CA GLN A 131 13.973 -11.371 4.574 1.00 44.35 C ATOM 2065 C GLN A 131 13.274 -11.415 5.953 1.00 4.14 C ATOM 2066 O GLN A 131 12.526 -12.348 6.236 1.00 52.45 O ATOM 2067 CB GLN A 131 15.465 -11.760 4.743 1.00 52.24 C ATOM 2068 CG GLN A 131 15.723 -13.070 5.524 1.00 75.40 C ATOM 2069 CD GLN A 131 15.247 -14.331 4.793 1.00 52.01 C ATOM 2070 OE1 GLN A 131 15.980 -14.919 4.006 1.00 21.44 O ATOM 2071 NE2 GLN A 131 14.032 -14.772 5.070 1.00 54.10 N ATOM 0 H GLN A 131 14.753 -9.610 3.712 1.00 53.20 H new ATOM 0 HA GLN A 131 13.476 -12.086 3.919 1.00 44.35 H new ATOM 0 HB2 GLN A 131 15.914 -11.852 3.754 1.00 52.24 H new ATOM 0 HB3 GLN A 131 15.980 -10.946 5.252 1.00 52.24 H new ATOM 0 HG2 GLN A 131 16.791 -13.159 5.724 1.00 75.40 H new ATOM 0 HG3 GLN A 131 15.222 -13.011 6.490 1.00 75.40 H new ATOM 0 HE21 GLN A 131 13.443 -14.263 5.729 1.00 54.10 H new ATOM 0 HE22 GLN A 131 13.684 -15.621 4.625 1.00 54.10 H new ATOM 2080 N GLN A 132 13.536 -10.395 6.791 1.00 3.33 N ATOM 2081 CA GLN A 132 12.986 -10.297 8.161 1.00 42.34 C ATOM 2082 C GLN A 132 11.438 -10.247 8.157 1.00 22.11 C ATOM 2083 O GLN A 132 10.786 -10.696 9.105 1.00 11.02 O ATOM 2084 CB GLN A 132 13.564 -9.051 8.884 1.00 11.21 C ATOM 2085 CG GLN A 132 13.134 -7.708 8.256 1.00 22.32 C ATOM 2086 CD GLN A 132 13.676 -6.465 8.962 1.00 14.22 C ATOM 2087 OE1 GLN A 132 14.747 -6.480 9.560 1.00 22.52 O ATOM 2088 NE2 GLN A 132 12.945 -5.368 8.888 1.00 54.31 N ATOM 0 H GLN A 132 14.137 -9.611 6.538 1.00 3.33 H new ATOM 0 HA GLN A 132 13.284 -11.195 8.702 1.00 42.34 H new ATOM 0 HB2 GLN A 132 13.250 -9.070 9.927 1.00 11.21 H new ATOM 0 HB3 GLN A 132 14.652 -9.112 8.878 1.00 11.21 H new ATOM 0 HG2 GLN A 132 13.460 -7.689 7.216 1.00 22.32 H new ATOM 0 HG3 GLN A 132 12.045 -7.659 8.249 1.00 22.32 H new ATOM 0 HE21 GLN A 132 12.058 -5.379 8.385 1.00 54.31 H new ATOM 0 HE22 GLN A 132 13.268 -4.509 9.334 1.00 54.31 H new ATOM 2097 N ALA A 133 10.873 -9.687 7.070 1.00 31.13 N ATOM 2098 CA ALA A 133 9.423 -9.648 6.840 1.00 51.43 C ATOM 2099 C ALA A 133 8.870 -11.064 6.540 1.00 44.03 C ATOM 2100 O ALA A 133 7.795 -11.431 7.012 1.00 1.53 O ATOM 2101 CB ALA A 133 9.108 -8.668 5.701 1.00 71.45 C ATOM 0 H ALA A 133 11.415 -9.248 6.326 1.00 31.13 H new ATOM 0 HA ALA A 133 8.929 -9.297 7.746 1.00 51.43 H new ATOM 0 HB1 ALA A 133 8.032 -8.641 5.532 1.00 71.45 H new ATOM 0 HB2 ALA A 133 9.458 -7.672 5.971 1.00 71.45 H new ATOM 0 HB3 ALA A 133 9.610 -8.995 4.790 1.00 71.45 H new ATOM 2107 N ILE A 134 9.626 -11.858 5.762 1.00 51.01 N ATOM 2108 CA ILE A 134 9.286 -13.280 5.474 1.00 65.51 C ATOM 2109 C ILE A 134 9.395 -14.147 6.755 1.00 60.34 C ATOM 2110 O ILE A 134 8.581 -15.054 6.981 1.00 50.22 O ATOM 2111 CB ILE A 134 10.207 -13.858 4.333 1.00 45.11 C ATOM 2112 CG1 ILE A 134 10.079 -12.987 3.046 1.00 64.33 C ATOM 2113 CG2 ILE A 134 9.902 -15.350 4.026 1.00 21.23 C ATOM 2114 CD1 ILE A 134 8.665 -12.890 2.479 1.00 3.13 C ATOM 0 H ILE A 134 10.486 -11.544 5.313 1.00 51.01 H new ATOM 0 HA ILE A 134 8.253 -13.313 5.128 1.00 65.51 H new ATOM 0 HB ILE A 134 11.236 -13.816 4.690 1.00 45.11 H new ATOM 0 HG12 ILE A 134 10.437 -11.981 3.267 1.00 64.33 H new ATOM 0 HG13 ILE A 134 10.736 -13.398 2.279 1.00 64.33 H new ATOM 0 HG21 ILE A 134 10.563 -15.701 3.233 1.00 21.23 H new ATOM 0 HG22 ILE A 134 10.064 -15.947 4.924 1.00 21.23 H new ATOM 0 HG23 ILE A 134 8.865 -15.451 3.705 1.00 21.23 H new ATOM 0 HD11 ILE A 134 8.673 -12.265 1.586 1.00 3.13 H new ATOM 0 HD12 ILE A 134 8.307 -13.887 2.221 1.00 3.13 H new ATOM 0 HD13 ILE A 134 8.004 -12.449 3.225 1.00 3.13 H new ATOM 2126 N ASP A 135 10.388 -13.821 7.600 1.00 70.24 N ATOM 2127 CA ASP A 135 10.555 -14.423 8.939 1.00 44.41 C ATOM 2128 C ASP A 135 9.345 -14.081 9.847 1.00 31.25 C ATOM 2129 O ASP A 135 8.891 -14.906 10.644 1.00 52.02 O ATOM 2130 CB ASP A 135 11.872 -13.910 9.579 1.00 0.05 C ATOM 2131 CG ASP A 135 13.139 -14.179 8.739 1.00 42.10 C ATOM 2132 OD1 ASP A 135 13.159 -15.137 7.931 1.00 0.32 O ATOM 2133 OD2 ASP A 135 14.131 -13.434 8.901 1.00 34.24 O ATOM 0 H ASP A 135 11.103 -13.129 7.374 1.00 70.24 H new ATOM 0 HA ASP A 135 10.605 -15.507 8.835 1.00 44.41 H new ATOM 0 HB2 ASP A 135 11.785 -12.837 9.748 1.00 0.05 H new ATOM 0 HB3 ASP A 135 11.993 -14.378 10.556 1.00 0.05 H new ATOM 2138 N MET A 136 8.837 -12.844 9.682 1.00 25.23 N ATOM 2139 CA MET A 136 7.633 -12.330 10.378 1.00 71.01 C ATOM 2140 C MET A 136 6.328 -12.968 9.813 1.00 42.22 C ATOM 2141 O MET A 136 5.300 -13.010 10.494 1.00 12.01 O ATOM 2142 CB MET A 136 7.587 -10.777 10.229 1.00 41.34 C ATOM 2143 CG MET A 136 6.533 -10.054 11.084 1.00 5.13 C ATOM 2144 SD MET A 136 6.889 -10.133 12.854 1.00 32.44 S ATOM 2145 CE MET A 136 8.461 -9.265 12.964 1.00 5.33 C ATOM 0 H MET A 136 9.256 -12.160 9.052 1.00 25.23 H new ATOM 0 HA MET A 136 7.695 -12.602 11.432 1.00 71.01 H new ATOM 0 HB2 MET A 136 8.569 -10.377 10.482 1.00 41.34 H new ATOM 0 HB3 MET A 136 7.405 -10.537 9.182 1.00 41.34 H new ATOM 0 HG2 MET A 136 6.477 -9.010 10.776 1.00 5.13 H new ATOM 0 HG3 MET A 136 5.554 -10.495 10.895 1.00 5.13 H new ATOM 0 HE1 MET A 136 8.646 -8.976 13.999 1.00 5.33 H new ATOM 0 HE2 MET A 136 9.263 -9.919 12.621 1.00 5.33 H new ATOM 0 HE3 MET A 136 8.428 -8.373 12.339 1.00 5.33 H new ATOM 2155 N GLY A 137 6.396 -13.482 8.566 1.00 75.23 N ATOM 2156 CA GLY A 137 5.220 -14.031 7.865 1.00 73.20 C ATOM 2157 C GLY A 137 4.369 -12.936 7.214 1.00 62.31 C ATOM 2158 O GLY A 137 3.141 -12.901 7.374 1.00 42.10 O ATOM 0 H GLY A 137 7.259 -13.527 8.024 1.00 75.23 H new ATOM 0 HA2 GLY A 137 5.551 -14.734 7.100 1.00 73.20 H new ATOM 0 HA3 GLY A 137 4.608 -14.592 8.571 1.00 73.20 H new ATOM 2162 N VAL A 138 5.041 -12.050 6.450 1.00 65.02 N ATOM 2163 CA VAL A 138 4.433 -10.823 5.885 1.00 74.35 C ATOM 2164 C VAL A 138 3.309 -11.118 4.864 1.00 14.44 C ATOM 2165 O VAL A 138 2.357 -10.357 4.781 1.00 11.31 O ATOM 2166 CB VAL A 138 5.529 -9.900 5.226 1.00 31.13 C ATOM 2167 CG1 VAL A 138 6.117 -10.524 3.936 1.00 4.15 C ATOM 2168 CG2 VAL A 138 5.000 -8.470 4.971 1.00 15.32 C ATOM 0 H VAL A 138 6.025 -12.164 6.206 1.00 65.02 H new ATOM 0 HA VAL A 138 3.976 -10.300 6.725 1.00 74.35 H new ATOM 0 HB VAL A 138 6.344 -9.822 5.945 1.00 31.13 H new ATOM 0 HG11 VAL A 138 6.867 -9.854 3.517 1.00 4.15 H new ATOM 0 HG12 VAL A 138 6.579 -11.483 4.173 1.00 4.15 H new ATOM 0 HG13 VAL A 138 5.319 -10.676 3.209 1.00 4.15 H new ATOM 0 HG21 VAL A 138 5.786 -7.867 4.516 1.00 15.32 H new ATOM 0 HG22 VAL A 138 4.142 -8.514 4.300 1.00 15.32 H new ATOM 0 HG23 VAL A 138 4.698 -8.020 5.917 1.00 15.32 H new ATOM 2178 N GLU A 139 3.423 -12.238 4.115 1.00 21.51 N ATOM 2179 CA GLU A 139 2.432 -12.627 3.077 1.00 13.22 C ATOM 2180 C GLU A 139 1.027 -12.858 3.696 1.00 30.42 C ATOM 2181 O GLU A 139 0.006 -12.464 3.117 1.00 1.10 O ATOM 2182 CB GLU A 139 2.919 -13.885 2.308 1.00 55.01 C ATOM 2183 CG GLU A 139 1.956 -14.363 1.189 1.00 52.41 C ATOM 2184 CD GLU A 139 2.518 -15.431 0.233 1.00 53.14 C ATOM 2185 OE1 GLU A 139 3.633 -15.957 0.464 1.00 52.35 O ATOM 2186 OE2 GLU A 139 1.839 -15.742 -0.774 1.00 32.05 O ATOM 0 H GLU A 139 4.197 -12.896 4.209 1.00 21.51 H new ATOM 0 HA GLU A 139 2.343 -11.804 2.367 1.00 13.22 H new ATOM 0 HB2 GLU A 139 3.893 -13.672 1.867 1.00 55.01 H new ATOM 0 HB3 GLU A 139 3.062 -14.698 3.019 1.00 55.01 H new ATOM 0 HG2 GLU A 139 1.054 -14.759 1.656 1.00 52.41 H new ATOM 0 HG3 GLU A 139 1.656 -13.497 0.600 1.00 52.41 H new ATOM 2193 N THR A 140 1.009 -13.459 4.901 1.00 13.23 N ATOM 2194 CA THR A 140 -0.218 -13.633 5.710 1.00 62.42 C ATOM 2195 C THR A 140 -0.819 -12.254 6.099 1.00 25.14 C ATOM 2196 O THR A 140 -2.019 -12.021 5.943 1.00 4.40 O ATOM 2197 CB THR A 140 0.074 -14.451 7.020 1.00 11.51 C ATOM 2198 OG1 THR A 140 0.837 -15.626 6.714 1.00 13.50 O ATOM 2199 CG2 THR A 140 -1.218 -14.872 7.747 1.00 4.52 C ATOM 0 H THR A 140 1.845 -13.839 5.344 1.00 13.23 H new ATOM 0 HA THR A 140 -0.933 -14.184 5.099 1.00 62.42 H new ATOM 0 HB THR A 140 0.639 -13.794 7.681 1.00 11.51 H new ATOM 0 HG1 THR A 140 1.013 -16.125 7.539 1.00 13.50 H new ATOM 0 HG21 THR A 140 -0.963 -15.434 8.645 1.00 4.52 H new ATOM 0 HG22 THR A 140 -1.786 -13.984 8.024 1.00 4.52 H new ATOM 0 HG23 THR A 140 -1.820 -15.496 7.087 1.00 4.52 H new ATOM 2207 N GLY A 141 0.060 -11.345 6.576 1.00 61.50 N ATOM 2208 CA GLY A 141 -0.334 -9.988 7.001 1.00 12.25 C ATOM 2209 C GLY A 141 -0.886 -9.109 5.867 1.00 70.13 C ATOM 2210 O GLY A 141 -1.883 -8.409 6.054 1.00 65.53 O ATOM 0 H GLY A 141 1.058 -11.532 6.676 1.00 61.50 H new ATOM 0 HA2 GLY A 141 -1.089 -10.069 7.783 1.00 12.25 H new ATOM 0 HA3 GLY A 141 0.531 -9.492 7.442 1.00 12.25 H new ATOM 2214 N MET A 142 -0.237 -9.174 4.687 1.00 34.55 N ATOM 2215 CA MET A 142 -0.665 -8.444 3.468 1.00 21.12 C ATOM 2216 C MET A 142 -2.086 -8.885 3.054 1.00 34.33 C ATOM 2217 O MET A 142 -2.981 -8.060 2.893 1.00 1.12 O ATOM 2218 CB MET A 142 0.318 -8.715 2.292 1.00 11.34 C ATOM 2219 CG MET A 142 1.749 -8.189 2.475 1.00 60.20 C ATOM 2220 SD MET A 142 1.854 -6.383 2.471 1.00 13.21 S ATOM 2221 CE MET A 142 3.634 -6.114 2.423 1.00 60.44 C ATOM 0 H MET A 142 0.603 -9.736 4.548 1.00 34.55 H new ATOM 0 HA MET A 142 -0.665 -7.378 3.694 1.00 21.12 H new ATOM 0 HB2 MET A 142 0.366 -9.791 2.126 1.00 11.34 H new ATOM 0 HB3 MET A 142 -0.098 -8.271 1.387 1.00 11.34 H new ATOM 0 HG2 MET A 142 2.150 -8.567 3.415 1.00 60.20 H new ATOM 0 HG3 MET A 142 2.379 -8.584 1.678 1.00 60.20 H new ATOM 0 HE1 MET A 142 3.840 -5.099 2.082 1.00 60.44 H new ATOM 0 HE2 MET A 142 4.050 -6.253 3.421 1.00 60.44 H new ATOM 0 HE3 MET A 142 4.091 -6.827 1.737 1.00 60.44 H new ATOM 2231 N ASN A 143 -2.265 -10.215 2.937 1.00 73.21 N ATOM 2232 CA ASN A 143 -3.546 -10.855 2.558 1.00 70.43 C ATOM 2233 C ASN A 143 -4.707 -10.469 3.531 1.00 40.43 C ATOM 2234 O ASN A 143 -5.841 -10.224 3.097 1.00 61.43 O ATOM 2235 CB ASN A 143 -3.336 -12.394 2.523 1.00 55.40 C ATOM 2236 CG ASN A 143 -4.546 -13.177 2.008 1.00 2.33 C ATOM 2237 OD1 ASN A 143 -5.418 -13.563 2.770 1.00 71.31 O ATOM 2238 ND2 ASN A 143 -4.611 -13.420 0.712 1.00 73.15 N ATOM 0 H ASN A 143 -1.516 -10.887 3.105 1.00 73.21 H new ATOM 0 HA ASN A 143 -3.842 -10.496 1.572 1.00 70.43 H new ATOM 0 HB2 ASN A 143 -2.476 -12.619 1.892 1.00 55.40 H new ATOM 0 HB3 ASN A 143 -3.093 -12.740 3.528 1.00 55.40 H new ATOM 0 HD21 ASN A 143 -5.401 -13.940 0.330 1.00 73.15 H new ATOM 0 HD22 ASN A 143 -3.871 -13.088 0.093 1.00 73.15 H new ATOM 2245 N SER A 144 -4.383 -10.401 4.839 1.00 54.21 N ATOM 2246 CA SER A 144 -5.345 -10.025 5.916 1.00 3.41 C ATOM 2247 C SER A 144 -5.799 -8.547 5.809 1.00 61.40 C ATOM 2248 O SER A 144 -6.993 -8.239 5.929 1.00 74.44 O ATOM 2249 CB SER A 144 -4.705 -10.261 7.307 1.00 14.11 C ATOM 2250 OG SER A 144 -4.387 -11.628 7.514 1.00 72.34 O ATOM 0 H SER A 144 -3.446 -10.604 5.187 1.00 54.21 H new ATOM 0 HA SER A 144 -6.225 -10.657 5.793 1.00 3.41 H new ATOM 0 HB2 SER A 144 -3.801 -9.659 7.398 1.00 14.11 H new ATOM 0 HB3 SER A 144 -5.391 -9.925 8.085 1.00 14.11 H new ATOM 0 HG SER A 144 -3.571 -11.853 7.019 1.00 72.34 H new ATOM 2256 N THR A 145 -4.825 -7.645 5.593 1.00 21.44 N ATOM 2257 CA THR A 145 -5.076 -6.185 5.445 1.00 71.31 C ATOM 2258 C THR A 145 -5.897 -5.890 4.158 1.00 63.43 C ATOM 2259 O THR A 145 -6.699 -4.953 4.101 1.00 24.50 O ATOM 2260 CB THR A 145 -3.721 -5.387 5.421 1.00 13.42 C ATOM 2261 OG1 THR A 145 -2.918 -5.765 6.554 1.00 14.14 O ATOM 2262 CG2 THR A 145 -3.928 -3.860 5.457 1.00 23.14 C ATOM 0 H THR A 145 -3.840 -7.899 5.515 1.00 21.44 H new ATOM 0 HA THR A 145 -5.658 -5.857 6.306 1.00 71.31 H new ATOM 0 HB THR A 145 -3.224 -5.637 4.484 1.00 13.42 H new ATOM 0 HG1 THR A 145 -2.554 -6.663 6.411 1.00 14.14 H new ATOM 0 HG21 THR A 145 -2.959 -3.361 5.438 1.00 23.14 H new ATOM 0 HG22 THR A 145 -4.512 -3.551 4.590 1.00 23.14 H new ATOM 0 HG23 THR A 145 -4.460 -3.586 6.368 1.00 23.14 H new ATOM 2270 N LEU A 146 -5.688 -6.726 3.131 1.00 14.11 N ATOM 2271 CA LEU A 146 -6.441 -6.672 1.864 1.00 34.35 C ATOM 2272 C LEU A 146 -7.863 -7.282 1.982 1.00 53.12 C ATOM 2273 O LEU A 146 -8.709 -7.008 1.141 1.00 31.13 O ATOM 2274 CB LEU A 146 -5.615 -7.305 0.722 1.00 74.11 C ATOM 2275 CG LEU A 146 -4.256 -6.581 0.419 1.00 22.30 C ATOM 2276 CD1 LEU A 146 -3.511 -7.237 -0.745 1.00 43.54 C ATOM 2277 CD2 LEU A 146 -4.449 -5.074 0.158 1.00 50.05 C ATOM 0 H LEU A 146 -4.986 -7.466 3.154 1.00 14.11 H new ATOM 0 HA LEU A 146 -6.602 -5.622 1.619 1.00 34.35 H new ATOM 0 HB2 LEU A 146 -5.409 -8.345 0.974 1.00 74.11 H new ATOM 0 HB3 LEU A 146 -6.219 -7.310 -0.185 1.00 74.11 H new ATOM 0 HG LEU A 146 -3.644 -6.687 1.314 1.00 22.30 H new ATOM 0 HD11 LEU A 146 -2.576 -6.707 -0.923 1.00 43.54 H new ATOM 0 HD12 LEU A 146 -3.297 -8.277 -0.500 1.00 43.54 H new ATOM 0 HD13 LEU A 146 -4.129 -7.195 -1.642 1.00 43.54 H new ATOM 0 HD21 LEU A 146 -3.483 -4.614 -0.047 1.00 50.05 H new ATOM 0 HD22 LEU A 146 -5.107 -4.935 -0.700 1.00 50.05 H new ATOM 0 HD23 LEU A 146 -4.894 -4.607 1.036 1.00 50.05 H new ATOM 2289 N ASN A 147 -8.114 -8.143 2.991 1.00 32.11 N ATOM 2290 CA ASN A 147 -9.505 -8.555 3.360 1.00 73.34 C ATOM 2291 C ASN A 147 -10.306 -7.373 3.972 1.00 1.44 C ATOM 2292 O ASN A 147 -11.538 -7.329 3.864 1.00 2.41 O ATOM 2293 CB ASN A 147 -9.483 -9.763 4.331 1.00 72.03 C ATOM 2294 CG ASN A 147 -9.126 -11.078 3.640 1.00 12.51 C ATOM 2295 OD1 ASN A 147 -9.758 -11.354 2.512 1.00 20.43 O flip ATOM 2296 ND2 ASN A 147 -8.341 -11.873 4.141 1.00 34.10 N flip ATOM 0 H ASN A 147 -7.386 -8.568 3.566 1.00 32.11 H new ATOM 0 HA ASN A 147 -10.011 -8.859 2.444 1.00 73.34 H new ATOM 0 HB2 ASN A 147 -8.763 -9.570 5.126 1.00 72.03 H new ATOM 0 HB3 ASN A 147 -10.461 -9.861 4.803 1.00 72.03 H new ATOM 0 HD21 ASN A 147 -7.864 -11.639 5.012 1.00 34.10 H new ATOM 0 HD22 ASN A 147 -8.164 -12.769 3.687 1.00 34.10 H new ATOM 2303 N GLN A 148 -9.594 -6.426 4.616 1.00 3.54 N ATOM 2304 CA GLN A 148 -10.187 -5.141 5.071 1.00 3.11 C ATOM 2305 C GLN A 148 -10.541 -4.256 3.847 1.00 63.03 C ATOM 2306 O GLN A 148 -11.565 -3.565 3.836 1.00 30.33 O ATOM 2307 CB GLN A 148 -9.205 -4.395 6.016 1.00 65.33 C ATOM 2308 CG GLN A 148 -8.776 -5.197 7.267 1.00 63.23 C ATOM 2309 CD GLN A 148 -9.923 -5.476 8.246 1.00 11.52 C ATOM 2310 OE1 GLN A 148 -10.841 -4.679 8.397 1.00 63.15 O ATOM 2311 NE2 GLN A 148 -9.890 -6.617 8.912 1.00 54.41 N ATOM 0 H GLN A 148 -8.603 -6.523 4.836 1.00 3.54 H new ATOM 0 HA GLN A 148 -11.101 -5.353 5.625 1.00 3.11 H new ATOM 0 HB2 GLN A 148 -8.313 -4.125 5.451 1.00 65.33 H new ATOM 0 HB3 GLN A 148 -9.671 -3.464 6.340 1.00 65.33 H new ATOM 0 HG2 GLN A 148 -8.344 -6.146 6.948 1.00 63.23 H new ATOM 0 HG3 GLN A 148 -7.991 -4.648 7.788 1.00 63.23 H new ATOM 0 HE21 GLN A 148 -9.117 -7.267 8.772 1.00 54.41 H new ATOM 0 HE22 GLN A 148 -10.638 -6.848 9.566 1.00 54.41 H new ATOM 2320 N LEU A 149 -9.662 -4.305 2.820 1.00 24.23 N ATOM 2321 CA LEU A 149 -9.865 -3.634 1.520 1.00 25.43 C ATOM 2322 C LEU A 149 -11.035 -4.268 0.736 1.00 63.11 C ATOM 2323 O LEU A 149 -11.810 -3.570 0.098 1.00 63.51 O ATOM 2324 CB LEU A 149 -8.542 -3.679 0.695 1.00 33.44 C ATOM 2325 CG LEU A 149 -8.573 -3.042 -0.732 1.00 62.34 C ATOM 2326 CD1 LEU A 149 -9.136 -1.616 -0.692 1.00 2.11 C ATOM 2327 CD2 LEU A 149 -7.174 -3.055 -1.392 1.00 63.33 C ATOM 0 H LEU A 149 -8.782 -4.818 2.874 1.00 24.23 H new ATOM 0 HA LEU A 149 -10.131 -2.593 1.702 1.00 25.43 H new ATOM 0 HB2 LEU A 149 -7.765 -3.178 1.273 1.00 33.44 H new ATOM 0 HB3 LEU A 149 -8.241 -4.722 0.594 1.00 33.44 H new ATOM 0 HG LEU A 149 -9.237 -3.654 -1.342 1.00 62.34 H new ATOM 0 HD11 LEU A 149 -9.145 -1.200 -1.699 1.00 2.11 H new ATOM 0 HD12 LEU A 149 -10.153 -1.637 -0.299 1.00 2.11 H new ATOM 0 HD13 LEU A 149 -8.511 -0.996 -0.049 1.00 2.11 H new ATOM 0 HD21 LEU A 149 -7.235 -2.604 -2.383 1.00 63.33 H new ATOM 0 HD22 LEU A 149 -6.476 -2.487 -0.777 1.00 63.33 H new ATOM 0 HD23 LEU A 149 -6.824 -4.083 -1.482 1.00 63.33 H new ATOM 2339 N GLU A 150 -11.151 -5.591 0.817 1.00 51.12 N ATOM 2340 CA GLU A 150 -12.235 -6.365 0.179 1.00 65.40 C ATOM 2341 C GLU A 150 -13.620 -5.965 0.750 1.00 52.24 C ATOM 2342 O GLU A 150 -14.552 -5.661 -0.001 1.00 64.32 O ATOM 2343 CB GLU A 150 -11.941 -7.861 0.410 1.00 52.34 C ATOM 2344 CG GLU A 150 -12.980 -8.850 -0.137 1.00 63.25 C ATOM 2345 CD GLU A 150 -12.548 -10.306 0.094 1.00 3.04 C ATOM 2346 OE1 GLU A 150 -12.598 -10.775 1.254 1.00 41.30 O ATOM 2347 OE2 GLU A 150 -12.096 -10.962 -0.867 1.00 3.41 O ATOM 0 H GLU A 150 -10.490 -6.172 1.333 1.00 51.12 H new ATOM 0 HA GLU A 150 -12.270 -6.153 -0.890 1.00 65.40 H new ATOM 0 HB2 GLU A 150 -10.976 -8.094 -0.041 1.00 52.34 H new ATOM 0 HB3 GLU A 150 -11.840 -8.028 1.482 1.00 52.34 H new ATOM 0 HG2 GLU A 150 -13.941 -8.674 0.346 1.00 63.25 H new ATOM 0 HG3 GLU A 150 -13.123 -8.677 -1.204 1.00 63.25 H new ATOM 2354 N LYS A 151 -13.708 -5.945 2.093 1.00 31.11 N ATOM 2355 CA LYS A 151 -14.886 -5.452 2.850 1.00 73.34 C ATOM 2356 C LYS A 151 -15.304 -4.027 2.396 1.00 34.23 C ATOM 2357 O LYS A 151 -16.487 -3.758 2.126 1.00 25.24 O ATOM 2358 CB LYS A 151 -14.529 -5.452 4.358 1.00 10.32 C ATOM 2359 CG LYS A 151 -15.590 -4.829 5.293 1.00 71.34 C ATOM 2360 CD LYS A 151 -15.161 -4.855 6.778 1.00 34.34 C ATOM 2361 CE LYS A 151 -13.900 -4.006 7.052 1.00 71.04 C ATOM 2362 NZ LYS A 151 -13.525 -4.014 8.488 1.00 35.41 N ATOM 0 H LYS A 151 -12.955 -6.275 2.696 1.00 31.11 H new ATOM 0 HA LYS A 151 -15.734 -6.110 2.658 1.00 73.34 H new ATOM 0 HB2 LYS A 151 -14.353 -6.481 4.672 1.00 10.32 H new ATOM 0 HB3 LYS A 151 -13.591 -4.913 4.491 1.00 10.32 H new ATOM 0 HG2 LYS A 151 -15.776 -3.799 4.990 1.00 71.34 H new ATOM 0 HG3 LYS A 151 -16.530 -5.369 5.181 1.00 71.34 H new ATOM 0 HD2 LYS A 151 -15.981 -4.488 7.395 1.00 34.34 H new ATOM 0 HD3 LYS A 151 -14.972 -5.885 7.079 1.00 34.34 H new ATOM 0 HE2 LYS A 151 -13.070 -4.388 6.458 1.00 71.04 H new ATOM 0 HE3 LYS A 151 -14.077 -2.980 6.729 1.00 71.04 H new ATOM 0 HZ1 LYS A 151 -13.642 -3.059 8.883 1.00 35.41 H new ATOM 0 HZ2 LYS A 151 -14.137 -4.679 9.003 1.00 35.41 H new ATOM 0 HZ3 LYS A 151 -12.533 -4.310 8.586 1.00 35.41 H new ATOM 2376 N LEU A 152 -14.296 -3.148 2.324 1.00 43.42 N ATOM 2377 CA LEU A 152 -14.421 -1.760 1.832 1.00 23.14 C ATOM 2378 C LEU A 152 -15.031 -1.692 0.398 1.00 22.24 C ATOM 2379 O LEU A 152 -16.035 -1.010 0.177 1.00 74.21 O ATOM 2380 CB LEU A 152 -13.006 -1.097 1.888 1.00 34.23 C ATOM 2381 CG LEU A 152 -12.760 0.173 1.008 1.00 40.52 C ATOM 2382 CD1 LEU A 152 -13.746 1.305 1.330 1.00 21.32 C ATOM 2383 CD2 LEU A 152 -11.303 0.654 1.142 1.00 61.35 C ATOM 0 H LEU A 152 -13.346 -3.383 2.612 1.00 43.42 H new ATOM 0 HA LEU A 152 -15.115 -1.213 2.470 1.00 23.14 H new ATOM 0 HB2 LEU A 152 -12.802 -0.831 2.925 1.00 34.23 H new ATOM 0 HB3 LEU A 152 -12.272 -1.850 1.602 1.00 34.23 H new ATOM 0 HG LEU A 152 -12.937 -0.114 -0.029 1.00 40.52 H new ATOM 0 HD11 LEU A 152 -13.534 2.164 0.693 1.00 21.32 H new ATOM 0 HD12 LEU A 152 -14.765 0.962 1.150 1.00 21.32 H new ATOM 0 HD13 LEU A 152 -13.640 1.594 2.376 1.00 21.32 H new ATOM 0 HD21 LEU A 152 -11.153 1.538 0.522 1.00 61.35 H new ATOM 0 HD22 LEU A 152 -11.096 0.902 2.183 1.00 61.35 H new ATOM 0 HD23 LEU A 152 -10.627 -0.137 0.816 1.00 61.35 H new ATOM 2395 N LEU A 153 -14.431 -2.425 -0.551 1.00 53.33 N ATOM 2396 CA LEU A 153 -14.816 -2.369 -1.985 1.00 31.34 C ATOM 2397 C LEU A 153 -16.193 -3.021 -2.255 1.00 2.34 C ATOM 2398 O LEU A 153 -16.802 -2.781 -3.301 1.00 41.45 O ATOM 2399 CB LEU A 153 -13.704 -3.020 -2.847 1.00 20.34 C ATOM 2400 CG LEU A 153 -12.301 -2.340 -2.729 1.00 10.15 C ATOM 2401 CD1 LEU A 153 -11.222 -3.120 -3.501 1.00 51.04 C ATOM 2402 CD2 LEU A 153 -12.347 -0.856 -3.158 1.00 32.02 C ATOM 0 H LEU A 153 -13.668 -3.073 -0.356 1.00 53.33 H new ATOM 0 HA LEU A 153 -14.919 -1.321 -2.265 1.00 31.34 H new ATOM 0 HB2 LEU A 153 -13.609 -4.068 -2.562 1.00 20.34 H new ATOM 0 HB3 LEU A 153 -14.015 -3.000 -3.891 1.00 20.34 H new ATOM 0 HG LEU A 153 -12.022 -2.363 -1.675 1.00 10.15 H new ATOM 0 HD11 LEU A 153 -10.262 -2.615 -3.394 1.00 51.04 H new ATOM 0 HD12 LEU A 153 -11.147 -4.131 -3.100 1.00 51.04 H new ATOM 0 HD13 LEU A 153 -11.492 -3.167 -4.556 1.00 51.04 H new ATOM 0 HD21 LEU A 153 -11.353 -0.419 -3.062 1.00 32.02 H new ATOM 0 HD22 LEU A 153 -12.675 -0.787 -4.195 1.00 32.02 H new ATOM 0 HD23 LEU A 153 -13.045 -0.314 -2.520 1.00 32.02 H new ATOM 2414 N ASN A 154 -16.664 -3.857 -1.312 1.00 24.41 N ATOM 2415 CA ASN A 154 -18.038 -4.404 -1.333 1.00 41.45 C ATOM 2416 C ASN A 154 -19.060 -3.381 -0.775 1.00 53.32 C ATOM 2417 O ASN A 154 -20.207 -3.340 -1.236 1.00 55.33 O ATOM 2418 CB ASN A 154 -18.116 -5.730 -0.541 1.00 23.43 C ATOM 2419 CG ASN A 154 -17.429 -6.923 -1.229 1.00 32.41 C ATOM 2420 OD1 ASN A 154 -16.298 -6.708 -1.878 1.00 54.53 O flip ATOM 2421 ND2 ASN A 154 -17.901 -8.048 -1.145 1.00 34.40 N flip ATOM 0 H ASN A 154 -16.108 -4.173 -0.517 1.00 24.41 H new ATOM 0 HA ASN A 154 -18.295 -4.606 -2.373 1.00 41.45 H new ATOM 0 HB2 ASN A 154 -17.662 -5.581 0.439 1.00 23.43 H new ATOM 0 HB3 ASN A 154 -19.164 -5.977 -0.373 1.00 23.43 H new ATOM 0 HD21 ASN A 154 -18.775 -8.198 -0.641 1.00 34.40 H new ATOM 0 HD22 ASN A 154 -17.421 -8.836 -1.579 1.00 34.40 H new ATOM 2428 N GLN A 155 -18.628 -2.569 0.232 1.00 70.10 N ATOM 2429 CA GLN A 155 -19.495 -1.582 0.957 1.00 41.01 C ATOM 2430 C GLN A 155 -20.711 -2.244 1.657 1.00 11.24 C ATOM 2431 O GLN A 155 -21.672 -1.562 2.037 1.00 73.13 O ATOM 2432 CB GLN A 155 -19.957 -0.428 0.002 1.00 44.34 C ATOM 2433 CG GLN A 155 -18.850 0.585 -0.358 1.00 75.33 C ATOM 2434 CD GLN A 155 -18.321 1.389 0.845 1.00 53.12 C ATOM 2435 OE1 GLN A 155 -17.146 1.738 0.907 1.00 10.21 O ATOM 2436 NE2 GLN A 155 -19.186 1.744 1.782 1.00 71.12 N ATOM 0 H GLN A 155 -17.665 -2.578 0.568 1.00 70.10 H new ATOM 0 HA GLN A 155 -18.878 -1.153 1.747 1.00 41.01 H new ATOM 0 HB2 GLN A 155 -20.343 -0.867 -0.918 1.00 44.34 H new ATOM 0 HB3 GLN A 155 -20.783 0.107 0.471 1.00 44.34 H new ATOM 0 HG2 GLN A 155 -18.019 0.051 -0.819 1.00 75.33 H new ATOM 0 HG3 GLN A 155 -19.236 1.279 -1.105 1.00 75.33 H new ATOM 0 HE21 GLN A 155 -20.159 1.446 1.717 1.00 71.12 H new ATOM 0 HE22 GLN A 155 -18.879 2.315 2.569 1.00 71.12 H new